A0A3Q0KMC1_SCHMA Loading...

Cilia- and flagella-associated protein 206

Essential for sperm motility and is involved in the regulation of the beating frequency of motile cilia on the epithelial cells of the respiratory tract. Required for the establishment of radial spokes in sperm flagella.

AlphaFold DB , UniProt , Accession A0A3Q0KMC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 663 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
1M46.6Very low66.6Low155 Ų15584.5 Ų84.576%0.76448%0.482SS*.  01420-66.7-177.6-152.900107.4Q5 P53M1-Q5 HydrophobicContact CB-CB 4.13Å; M1-P53 HydrophobicContact CE-CB 4.27Å
2T49.7Very low68.2Low83 Ų8393.5 Ų93.551%0.50950%0.502SS..  trans-65.6149.9165.454.30000108.6V4 Q5 A6T2-V4 PolarHBondContact O-N 2.96Å; T2-V4 VanDerWaalsContact O-N 3.07Å; T2-Q5 WeakPolarHBondContact O-CB 3.44Å; T2-Q5 PolarHBondContact O-N 2.74Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.39Å; T2-A6 PolarHBondContact O-N 3.43Å; T2-A6 VanDerWaalsContact O-N 3.16Å
3N57.4Low69.6Low133 Ų13386.8 Ų86.871%0.71147%0.466SS*.Hα-helixtrans-49.6-38.5179-79.3-6.1000111.9Q5 A6 E7N3-Q5 PolarHBondContact O-N 3.08Å; N3-A6 PolarHBondContact O-N 3Å; N3-E7 WeakPolarHBondContact O-CG 3.49Å; N3-E7 PolarHBondContact O-N 3.44Å
4V59.5Low71Confident107 Ų10781.6 Ų81.665%0.64844%0.438SS*.Hα-helixtrans-61.6-38.1176.5-174.10000113.2T2 G8T2-V4 PolarHBondContact O-N 2.96Å; T2-V4 VanDerWaalsContact O-N 3.07Å; V4-G8 PolarHBondContact O-N 3.33Å
5Q58.8Low72.2Confident115 Ų11582.8 Ų82.854%0.53744%0.437SS..Hα-helixtrans-69.8-39.6175.9-75.9172.4-14.200111.4M1 T2 N3 G8 V9M1-Q5 HydrophobicContact CB-CB 4.13Å; T2-Q5 WeakPolarHBondContact O-CB 3.44Å; T2-Q5 PolarHBondContact O-N 2.74Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.39Å; N3-Q5 PolarHBondContact O-N 3.08Å; Q5-G8 PolarHBondContact O-N 3.06Å; Q5-V9 WeakPolarHBondContact O-CG2 3.45Å; Q5-V9 PolarHBondContact O-N 2.99Å; Q5-V9 VanDerWaalsContact O-N 3.16Å
6A68.3Low73.3Confident33 Ų3382.5 Ų82.527%0.27343%0.433SS..Hα-helixtrans-66-44.2176.700000111.4T2 N3 G8 V9 I10T2-A6 PolarHBondContact O-N 3.43Å; T2-A6 VanDerWaalsContact O-N 3.16Å; N3-A6 PolarHBondContact O-N 3Å; A6-G8 PolarHBondContact O-N 3.19Å; A6-V9 PolarHBondContact O-N 3.24Å; A6-I10 WeakPolarHBondContact O-CG1 3.44Å; A6-I10 PolarHBondContact O-N 3.13Å
7E71.2Confident74.3Confident97 Ų9777.6 Ų77.645%0.45341%0.407SS..Hα-helixtrans-57.1-48.4174.2-74.2173.7179.300111.5N3 V9 I10 T11N3-E7 WeakPolarHBondContact O-CG 3.49Å; N3-E7 PolarHBondContact O-N 3.44Å; E7-V9 VanDerWaalsContact C-N 3.32Å; E7-V9 PolarHBondContact O-N 2.88Å; E7-I10 PolarHBondContact O-N 3.46Å; E7-I10 VanDerWaalsContact O-N 3.17Å; E7-T11 PolarHBondContact O-N 3.39Å; E7-T11 PolarHBondContact O-OG1 3.19Å
8G77.3Confident75.1Confident44 Ų4474 Ų7445%0.45439%0.39SS..Hα-helixtrans-61.5-35.3178.800000114.2V4 Q5 A6 R12V4-G8 PolarHBondContact O-N 3.33Å; Q5-G8 PolarHBondContact O-N 3.06Å; A6-G8 PolarHBondContact O-N 3.19Å; G8-R12 PolarHBondContact O-N 3.4Å
9V78.7Confident76Confident61 Ų6177.1 Ų77.137%0.3740%0.402SS..Hα-helixtrans-68.1-45.7174.3173.10000110.5Q5 A6 E7 R12 I13Q5-V9 WeakPolarHBondContact O-CG2 3.45Å; Q5-V9 PolarHBondContact O-N 2.99Å; Q5-V9 VanDerWaalsContact O-N 3.16Å; A6-V9 PolarHBondContact O-N 3.24Å; E7-V9 VanDerWaalsContact C-N 3.32Å; E7-V9 PolarHBondContact O-N 2.88Å; V9-R12 WeakPolarHBondContact O-CB 3.47Å; V9-R12 PolarHBondContact O-N 3.35Å; V9-I13 HydrophobicContact CG1-CD1 3.97Å; V9-I13 WeakPolarHBondContact O-CG1 3.42Å; V9-I13 PolarHBondContact O-N 2.97Å
10I80.2Confident76.6Confident46 Ų4676.5 Ų76.524%0.23640%0.397CS..Hα-helixtrans-62.2-45.6178.8-67.5166.4000110.9A6 E7 R12 I13 I14 Y506A6-I10 WeakPolarHBondContact O-CG1 3.44Å; A6-I10 PolarHBondContact O-N 3.13Å; E7-I10 PolarHBondContact O-N 3.46Å; E7-I10 VanDerWaalsContact O-N 3.17Å; I10-R12 VanDerWaalsContact C-N 3.25Å; I10-R12 PolarHBondContact O-N 2.96Å; I10-I13 PolarHBondContact O-N 3.49Å; I10-I13 VanDerWaalsContact O-N 3.12Å; I10-I14 HydrophobicContact CG2-CD1 3.77Å; I10-I14 HydrophobicContact CG2-CG1 4.37Å; I10-I14 WeakPolarHBondContact O-CG1 3.28Å; I10-I14 PolarHBondContact O-N 3.32Å; I10-Y506 HydrophobicContact CG2-CE2 4.4Å
11T84.8Confident77.2Confident56 Ų5672.9 Ų72.934%0.34438%0.379SS..Hα-helixtrans-59.3-37.5176.4-52.60000111.9E7 I14 K15E7-T11 PolarHBondContact O-N 3.39Å; E7-T11 PolarHBondContact O-OG1 3.19Å; T11-I14 PolarHBondContact O-N 3Å; T11-K15 WeakPolarHBondContact O-CG 3.15Å; T11-K15 PolarHBondContact O-N 2.96Å; T11-K15 VanDerWaalsContact O-N 3.09Å
12R86.3Confident79.3Confident192 Ų19269.2 Ų69.273%0.72537%0.365SS*.Hα-helixtrans-66-42.8175.7-172.9-177.1-69.5-177-2.8111.6G8 V9 I10 K15 Q16G8-R12 PolarHBondContact O-N 3.4Å; V9-R12 WeakPolarHBondContact O-CB 3.47Å; V9-R12 PolarHBondContact O-N 3.35Å; I10-R12 VanDerWaalsContact C-N 3.25Å; I10-R12 PolarHBondContact O-N 2.96Å; R12-K15 PolarHBondContact O-N 3.25Å; R12-Q16 WeakPolarHBondContact O-CB 3.01Å; R12-Q16 PolarHBondContact O-N 3.34Å
13I85.9Confident81.1Confident7 Ų772.4 Ų72.44%0.03638%0.378CS..Hα-helixtrans-61.1-46.2176.6-66.8168.3000110.3V9 I10 K15 Q16 I17 I59 L62 I63V9-I13 HydrophobicContact CG1-CD1 3.97Å; V9-I13 WeakPolarHBondContact O-CG1 3.42Å; V9-I13 PolarHBondContact O-N 2.97Å; I10-I13 PolarHBondContact O-N 3.49Å; I10-I13 VanDerWaalsContact O-N 3.12Å; I13-K15 PolarHBondContact O-N 3.49Å; I13-Q16 PolarHBondContact O-N 3.08Å; I13-I17 HydrophobicContact CG2-CD1 3.72Å; I13-I17 HydrophobicContact CG2-CG1 4.42Å; I13-I17 WeakPolarHBondContact O-CG1 3.14Å; I13-I17 PolarHBondContact O-N 3.27Å; I13-I59 HydrophobicContact CD1-CD1 4.48Å; I13-I59 HydrophobicContact CD1-CG1 4.15Å; I13-I59 HydrophobicContact CD1-CG2 4.21Å; I13-I59 HydrophobicContact CG1-CG2 4.07Å; I13-L62 HydrophobicContact CG2-CD2 4.35Å; I13-I63 HydrophobicContact CG2-CG1 4.15Å
14I88.6Confident82.6Confident13 Ų1371.8 Ų71.87%0.06737%0.366CS..Hα-helixtrans-57-49.7177.9-70.6165.2000110.9I10 T11 Q16 I17 A18 E30 V33 A34I10-I14 HydrophobicContact CG2-CD1 3.77Å; I10-I14 HydrophobicContact CG2-CG1 4.37Å; I10-I14 WeakPolarHBondContact O-CG1 3.28Å; I10-I14 PolarHBondContact O-N 3.32Å; T11-I14 PolarHBondContact O-N 3Å; I14-Q16 VanDerWaalsContact C-N 3.31Å; I14-Q16 PolarHBondContact O-N 3.41Å; I14-I17 PolarHBondContact O-N 2.81Å; I14-A18 WeakPolarHBondContact O-CB 3.44Å; I14-A18 PolarHBondContact O-N 3.23Å; I14-E30 HydrophobicContact CG2-CB 3.94Å; I14-E30 HydrophobicContact CG2-CG 4.24Å; I14-V33 HydrophobicContact CB-CG1 4.16Å; I14-V33 HydrophobicContact CG1-CG1 4.24Å; I14-V33 HydrophobicContact CG2-CB 4.09Å; I14-V33 HydrophobicContact CG2-CG1 3.87Å; I14-A34 HydrophobicContact CD1-CB 3.79Å; I14-A34 HydrophobicContact CG1-CB 4.45Å
15K89.7Confident83.8Confident100 Ų10070 Ų7044%0.43537%0.369SS..Hα-helixtrans-62.1-38.3178.4-73.5-178.2178-1750112.6T11 R12 I13 Q19 E30T11-K15 WeakPolarHBondContact O-CG 3.15Å; T11-K15 PolarHBondContact O-N 2.96Å; T11-K15 VanDerWaalsContact O-N 3.09Å; R12-K15 PolarHBondContact O-N 3.25Å; I13-K15 PolarHBondContact O-N 3.49Å; K15-Q19 WeakPolarHBondContact O-CB 3.43Å; K15-Q19 VanDerWaalsContact O-CG 3.27Å; K15-Q19 WeakPolarHBondContact O-CG 3.38Å; K15-Q19 PolarHBondContact O-N 3.37Å; K15-E30 WeakPolarHBondContact CE-OE1 3.38Å
16Q89.6Confident85Confident78 Ų7866.6 Ų66.636%0.36435%0.353SS..Hα-helixtrans-67.6-41.4178.2-171.6174.4-6.800112.1R12 I13 I14 Q19 Q20 I63R12-Q16 WeakPolarHBondContact O-CB 3.01Å; R12-Q16 PolarHBondContact O-N 3.34Å; I13-Q16 PolarHBondContact O-N 3.08Å; I14-Q16 VanDerWaalsContact C-N 3.31Å; I14-Q16 PolarHBondContact O-N 3.41Å; Q16-Q19 PolarHBondContact O-N 2.63Å; Q16-Q20 WeakPolarHBondContact O-CG 3.37Å; Q16-Q20 PolarHBondContact O-N 3.35Å; Q16-I63 HydrophobicContact CB-CD1 4.45Å; Q16-I63 VanDerWaalsContact CD-CD1 3.45Å; Q16-I63 HydrophobicContact CG-CD1 4.07Å
17I90.2Very high85.8Confident0 Ų072.2 Ų72.20%038%0.378CS..Hα-helixtrans-62.9-48.1174.8-67.4164000110I13 I14 Q19 Q20 C21 V33 V37 I63 C66 V67 I70I13-I17 HydrophobicContact CG2-CD1 3.72Å; I13-I17 HydrophobicContact CG2-CG1 4.42Å; I13-I17 WeakPolarHBondContact O-CG1 3.14Å; I13-I17 PolarHBondContact O-N 3.27Å; I14-I17 PolarHBondContact O-N 2.81Å; I17-Q19 VanDerWaalsContact C-N 3.32Å; I17-Q19 PolarHBondContact O-N 2.95Å; I17-Q20 PolarHBondContact O-N 2.86Å; I17-Q20 VanDerWaalsContact O-N 3.11Å; I17-C21 PolarHBondContact O-N 3.35Å; I17-C21 PolarHBondContact O-SG 2.95Å; I17-C21 VanDerWaalsContact O-SG 3.33Å; I17-V33 HydrophobicContact CB-CG1 3.69Å; I17-V33 HydrophobicContact CD1-CG1 4.06Å; I17-V33 HydrophobicContact CG1-CG1 4.49Å; I17-V33 HydrophobicContact CG2-CG1 3.61Å; I17-V33 HydrophobicContact CG2-CG2 4.15Å; I17-V37 HydrophobicContact CD1-CG2 3.5Å; I17-I63 HydrophobicContact CD1-CG1 4.36Å; I17-I63 HydrophobicContact CG1-CB 4.19Å; I17-I63 HydrophobicContact CG1-CG1 3.91Å; I17-I63 HydrophobicContact CG1-CG2 4Å; I17-C66 HydrophobicContact CD1-CB 3.76Å; I17-C66 HydrophobicContact CG1-CB 4.33Å; I17-C66 HydrophobicContact CG2-CB 4.21Å; I17-V67 HydrophobicContact CB-CG2 4.46Å; I17-V67 HydrophobicContact CG2-CG2 3.92Å; I17-I70 HydrophobicContact CG2-CD1 3.64Å
18A89.9Confident86.5Confident12 Ų1268.5 Ų68.510%0.09936%0.362CS..Hα-helixtrans-56.7-45.817800000111.7I14 Q20 C21 V22 V28 V33I14-A18 WeakPolarHBondContact O-CB 3.44Å; I14-A18 PolarHBondContact O-N 3.23Å; A18-Q20 PolarHBondContact O-N 3.17Å; A18-C21 PolarHBondContact O-N 3.32Å; A18-V22 WeakPolarHBondContact O-CG2 3.36Å; A18-V22 PolarHBondContact O-N 3.27Å; A18-V28 HydrophobicContact CB-CG2 4.37Å; A18-V33 HydrophobicContact CB-CG2 4.33Å
19Q90.6Very high86.9Confident132 Ų13269.3 Ų69.362%0.61736%0.361SS*.Hα-helixtrans-60.9-42.1175.6-74.8174.9-3.300112.8K15 Q16 I17 V22 L23K15-Q19 WeakPolarHBondContact O-CB 3.43Å; K15-Q19 VanDerWaalsContact O-CG 3.27Å; K15-Q19 WeakPolarHBondContact O-CG 3.38Å; K15-Q19 PolarHBondContact O-N 3.37Å; Q16-Q19 PolarHBondContact O-N 2.63Å; I17-Q19 VanDerWaalsContact C-N 3.32Å; I17-Q19 PolarHBondContact O-N 2.95Å; Q19-V22 PolarHBondContact O-N 3.18Å; Q19-L23 WeakPolarHBondContact O-CG 3.47Å; Q19-L23 PolarHBondContact O-N 2.71Å
20Q89.7Confident87.3Confident66 Ų6671.2 Ų71.231%0.30837%0.366SS..Hα-helixtrans-68-35177.6-73.7-171.5100112.9Q16 I17 A18 L23 R24 V67Q16-Q20 WeakPolarHBondContact O-CG 3.37Å; Q16-Q20 PolarHBondContact O-N 3.35Å; I17-Q20 PolarHBondContact O-N 2.86Å; I17-Q20 VanDerWaalsContact O-N 3.11Å; A18-Q20 PolarHBondContact O-N 3.17Å; Q20-L23 PolarHBondContact O-N 3.24Å; Q20-R24 PolarHBondContact O-N 3.35Å; Q20-V67 HydrophobicContact CB-CG1 4.48Å; Q20-V67 HydrophobicContact CB-CG2 3.83Å
21C88.9Confident87.6Confident0 Ų072.1 Ų72.10%037%0.373CS..Hα-helixtrans-64.8-43.3172.5-68.60000111.5I17 A18 L23 R24 G25 H26 V28 I70I17-C21 PolarHBondContact O-N 3.35Å; I17-C21 PolarHBondContact O-SG 2.95Å; I17-C21 VanDerWaalsContact O-SG 3.33Å; A18-C21 PolarHBondContact O-N 3.32Å; C21-L23 VanDerWaalsContact C-N 3.31Å; C21-L23 PolarHBondContact O-N 2.9Å; C21-R24 CarbonylContact O-C 3.08Å; C21-R24 WeakPolarHBondContact O-CA 3.28Å; C21-R24 WeakPolarHBondContact O-CB 3.43Å; C21-R24 PolarHBondContact O-N 2.86Å; C21-G25 PolarHBondContact O-N 3.24Å; C21-H26 CarbonylContact C-O 3.46Å; C21-H26 HydrophobicContact CB-CB 4.47Å; C21-H26 PolarHBondContact O-N 3.2Å; C21-V28 HydrophobicContact CB-CG1 4.41Å; C21-V28 HydrophobicContact CB-CG2 3.6Å; C21-I70 HydrophobicContact CB-CG2 4.42Å; C21-I70 VanDerWaalsContact SG-CG2 3.58Å
22V89.7Confident87.7Confident78 Ų7870 Ų7047%0.47336%0.36SS..Hα-helixtrans-61.2-40.51761710000111.2A18 Q19 R24 G25 H26A18-V22 WeakPolarHBondContact O-CG2 3.36Å; A18-V22 PolarHBondContact O-N 3.27Å; Q19-V22 PolarHBondContact O-N 3.18Å; V22-R24 PolarHBondContact O-N 3.48Å; V22-G25 WeakPolarHBondContact O-CA 3.31Å; V22-G25 PolarHBondContact O-N 2.97Å; V22-H26 WeakPolarHBondContact CA-O 3.28Å; V22-H26 PolarHBondContact N-O 2.96Å; V22-H26 VanDerWaalsContact N-O 3.16Å
23L88.9Confident87.8Confident150 Ų15060.9 Ų60.979%0.78533%0.326SS*.Hα-helixtrans-62.6-26.2174.7-71.2173.4000113.3Q19 Q20 C21 G25Q19-L23 WeakPolarHBondContact O-CG 3.47Å; Q19-L23 PolarHBondContact O-N 2.71Å; Q20-L23 PolarHBondContact O-N 3.24Å; C21-L23 VanDerWaalsContact C-N 3.31Å; C21-L23 PolarHBondContact O-N 2.9Å; L23-G25 VanDerWaalsContact C-N 3.29Å
24R87.7Confident87.8Confident121 Ų12161.8 Ų61.846%0.45733%0.334SS..THydrogen-bonded Turntrans-86.63.8172.3-67-177.4179.7-167.55113.1Q20 C21 V22 H26 V67 N68 T71Q20-R24 PolarHBondContact O-N 3.35Å; C21-R24 CarbonylContact O-C 3.08Å; C21-R24 WeakPolarHBondContact O-CA 3.28Å; C21-R24 WeakPolarHBondContact O-CB 3.43Å; C21-R24 PolarHBondContact O-N 2.86Å; V22-R24 PolarHBondContact O-N 3.48Å; R24-H26 PolarHBondContact O-CD2 3.46Å; R24-V67 VanDerWaalsContact CZ-CG1 3.41Å; R24-N68 PolarHBondContact NH1-OD1 3.22Å; R24-N68 PolarHBondContact NH2-OD1 3.43Å; R24-T71 HydrophobicContact CB-CG2 4.15Å; R24-T71 PolarHBondContact NH1-OG1 2.93Å
25G85.3Confident87.6Confident69 Ų6963 Ų6371%0.71134%0.339SS*.THydrogen-bonded Turntrans87.613179.400000115C21 V22 L23C21-G25 PolarHBondContact O-N 3.24Å; V22-G25 WeakPolarHBondContact O-CA 3.31Å; V22-G25 PolarHBondContact O-N 2.97Å; L23-G25 VanDerWaalsContact C-N 3.29Å
26H84.3Confident87.5Confident44 Ų4458.3 Ų58.320%0.20432%0.318CS..  trans-111.9110.1179.1-62.7-90.4000110.8C21 V22 R24 V28 Q73C21-H26 CarbonylContact C-O 3.46Å; C21-H26 HydrophobicContact CB-CB 4.47Å; C21-H26 PolarHBondContact O-N 3.2Å; V22-H26 WeakPolarHBondContact CA-O 3.28Å; V22-H26 PolarHBondContact N-O 2.96Å; V22-H26 VanDerWaalsContact N-O 3.16Å; R24-H26 PolarHBondContact O-CD2 3.46Å; H26-V28 HydrophobicContact CB-CG1 4.37Å; H26-Q73 PolarHBondContact CE1-NE2 2.78Å
27D84Confident87.3Confident151 Ų15155.3 Ų55.381%0.80731%0.306SS*.  trans-79121.3170.3-167.117.9000109.7
28V86.3Confident86.9Confident18 Ų1858.3 Ų58.311%0.10932%0.319CS..  trans-133.3138-172.9-65.40000110.8A18 C21 H26 L32 V33 I70A18-V28 HydrophobicContact CB-CG2 4.37Å; C21-V28 HydrophobicContact CB-CG1 4.41Å; C21-V28 HydrophobicContact CB-CG2 3.6Å; H26-V28 HydrophobicContact CB-CG1 4.37Å; V28-L32 HydrophobicContact CB-CD2 4.4Å; V28-L32 HydrophobicContact CG1-CD2 4.34Å; V28-V33 HydrophobicContact CB-CG2 4.46Å; V28-V33 HydrophobicContact CG2-CG2 3.8Å; V28-I70 HydrophobicContact CG1-CG2 3.75Å
29S86.9Confident86.5Confident62 Ų6257.9 Ų57.943%0.43432%0.315SS..  trans-70.9146.7178.1670000111.6T31 L32 V33S29-T31 PolarHBondContact O-N 3.13Å; S29-L32 PolarHBondContact O-N 3.45Å; S29-L32 VanDerWaalsContact O-N 3.16Å; S29-L32 WeakPolarHBondContact OG-CB 3.1Å; S29-L32 PolarHBondContact OG-N 2.96Å; S29-V33 PolarHBondContact O-N 3.2Å; S29-V33 VanDerWaalsContact O-N 3.16Å
30E87Confident86.1Confident101 Ų10151.9 Ų51.947%0.47229%0.287SS..Hα-helixtrans-58.6-31.8174.7-66.4-170.4171.500111.5I14 K15 V33 A34I14-E30 HydrophobicContact CG2-CB 3.94Å; I14-E30 HydrophobicContact CG2-CG 4.24Å; K15-E30 WeakPolarHBondContact CE-OE1 3.38Å; E30-V33 PolarHBondContact O-N 3.38Å; E30-A34 WeakPolarHBondContact O-CB 3.28Å; E30-A34 PolarHBondContact O-N 3.28Å
31T86.5Confident85.8Confident64 Ų6451 Ų5139%0.39329%0.286SS..Hα-helixtrans-63.2-45.9175.6-47.40000112.4S29 V33 A34 F35 V85 V89S29-T31 PolarHBondContact O-N 3.13Å; T31-V33 VanDerWaalsContact C-N 3.33Å; T31-V33 PolarHBondContact O-N 3.44Å; T31-A34 PolarHBondContact O-N 2.91Å; T31-F35 PolarHBondContact O-N 3.31Å; T31-V85 HydrophobicContact CG2-CG1 4Å; T31-V89 HydrophobicContact CG2-CG2 4.09Å
32L87Confident85.2Confident13 Ų1353 Ų537%0.06830%0.297CS..Hα-helixtrans-62.5-44.1177.2176.863.6000110.8V28 S29 A34 F35 I36 I81 K82 V85V28-L32 HydrophobicContact CB-CD2 4.4Å; V28-L32 HydrophobicContact CG1-CD2 4.34Å; S29-L32 PolarHBondContact O-N 3.45Å; S29-L32 VanDerWaalsContact O-N 3.16Å; S29-L32 WeakPolarHBondContact OG-CB 3.1Å; S29-L32 PolarHBondContact OG-N 2.96Å; L32-A34 VanDerWaalsContact C-N 3.35Å; L32-A34 PolarHBondContact O-N 2.82Å; L32-F35 PolarHBondContact O-N 3.36Å; L32-I36 HydrophobicContact CD1-CD1 3.88Å; L32-I36 HydrophobicContact CD1-CG1 4.4Å; L32-I36 HydrophobicContact CG-CD1 3.88Å; L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 2.81Å; L32-I81 HydrophobicContact CD1-CG2 3.89Å; L32-K82 HydrophobicContact CD1-CG 4.14Å; L32-K82 HydrophobicContact CD2-CG 3.87Å; L32-V85 HydrophobicContact CB-CG1 4.17Å; L32-V85 HydrophobicContact CD1-CB 4.21Å; L32-V85 HydrophobicContact CD1-CG2 4Å
33V88Confident84.8Confident0 Ų050.7 Ų50.70%028%0.282CS..Hα-helixtrans-61.9-44.2177.2175.10000110.8I14 I17 A18 V28 S29 E30 T31 F35 I36 V37 I70I14-V33 HydrophobicContact CB-CG1 4.16Å; I14-V33 HydrophobicContact CG1-CG1 4.24Å; I14-V33 HydrophobicContact CG2-CB 4.09Å; I14-V33 HydrophobicContact CG2-CG1 3.87Å; I17-V33 HydrophobicContact CB-CG1 3.69Å; I17-V33 HydrophobicContact CD1-CG1 4.06Å; I17-V33 HydrophobicContact CG1-CG1 4.49Å; I17-V33 HydrophobicContact CG2-CG1 3.61Å; I17-V33 HydrophobicContact CG2-CG2 4.15Å; A18-V33 HydrophobicContact CB-CG2 4.33Å; V28-V33 HydrophobicContact CB-CG2 4.46Å; V28-V33 HydrophobicContact CG2-CG2 3.8Å; S29-V33 PolarHBondContact O-N 3.2Å; S29-V33 VanDerWaalsContact O-N 3.16Å; E30-V33 PolarHBondContact O-N 3.38Å; T31-V33 VanDerWaalsContact C-N 3.33Å; T31-V33 PolarHBondContact O-N 3.44Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 2.88Å; V33-I36 PolarHBondContact O-N 3.02Å; V33-V37 HydrophobicContact CG1-CG2 4.26Å; V33-V37 VanDerWaalsContact O-CG2 3.3Å; V33-V37 WeakPolarHBondContact O-CG2 3.39Å; V33-V37 PolarHBondContact O-N 3.35Å; V33-I70 HydrophobicContact CG2-CD1 4.15Å
34A86.2Confident84.1Confident25 Ų2547.9 Ų47.921%0.20727%0.272CS..Hα-helixtrans-59.7-43.2177.300000112.1I14 E30 T31 L32 V37 K38I14-A34 HydrophobicContact CD1-CB 3.79Å; I14-A34 HydrophobicContact CG1-CB 4.45Å; E30-A34 WeakPolarHBondContact O-CB 3.28Å; E30-A34 PolarHBondContact O-N 3.28Å; T31-A34 PolarHBondContact O-N 2.91Å; L32-A34 VanDerWaalsContact C-N 3.35Å; L32-A34 PolarHBondContact O-N 2.82Å; A34-V37 PolarHBondContact O-N 3.1Å; A34-K38 PolarHBondContact O-N 3.19Å
35F84.4Confident83.5Confident40 Ų4046.2 Ų46.218%0.17529%0.285CS..Hα-helixtrans-61.7-44175.5-173.6-84.1000111.5T31 L32 V33 K38 A39 I81 V85 P492T31-F35 PolarHBondContact O-N 3.31Å; L32-F35 PolarHBondContact O-N 3.36Å; V33-F35 VanDerWaalsContact C-N 3.33Å; V33-F35 PolarHBondContact O-N 2.88Å; F35-K38 WeakPolarHBondContact O-CB 3.49Å; F35-K38 PolarHBondContact O-N 3.19Å; F35-A39 WeakPolarHBondContact O-CB 3.4Å; F35-A39 PolarHBondContact O-N 2.96Å; F35-I81 HydrophobicContact CD1-CG2 3.39Å; F35-I81 HydrophobicContact CE1-CB 4.37Å; F35-I81 HydrophobicContact CE1-CD1 4.17Å; F35-I81 HydrophobicContact CE1-CG1 3.98Å; F35-I81 HydrophobicContact CE1-CG2 3.57Å; F35-I81 HydrophobicContact CG-CG2 4.37Å; F35-V85 HydrophobicContact CB-CG2 4.11Å; F35-V85 HydrophobicContact CD2-CG2 4.45Å; F35-V85 HydrophobicContact CG-CG2 4.14Å; F35-P492 HydrophobicContact CE2-CG 4.31Å; F35-P492 HydrophobicContact CZ-CG 4.22Å
36I86.1Confident83Confident0 Ų043.6 Ų43.60%026%0.255CS..Hα-helixtrans-69-38.8-179.3-68.5169000111.8L32 V33 K38 A39 V40 C66 I70 I78 I81L32-I36 HydrophobicContact CD1-CD1 3.88Å; L32-I36 HydrophobicContact CD1-CG1 4.4Å; L32-I36 HydrophobicContact CG-CD1 3.88Å; L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 2.81Å; V33-I36 PolarHBondContact O-N 3.02Å; I36-K38 VanDerWaalsContact C-N 3.31Å; I36-K38 PolarHBondContact O-N 3.16Å; I36-A39 WeakPolarHBondContact O-CB 3.25Å; I36-A39 PolarHBondContact O-N 3.44Å; I36-V40 HydrophobicContact CG2-CG2 4.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.44Å; I36-V40 PolarHBondContact O-N 2.83Å; I36-C66 HydrophobicContact CG2-CB 4.19Å; I36-I70 HydrophobicContact CD1-CD1 3.97Å; I36-I70 HydrophobicContact CD1-CG1 3.3Å; I36-I70 HydrophobicContact CG2-CD1 4.42Å; I36-I70 HydrophobicContact CG2-CG1 4.25Å; I36-I78 HydrophobicContact CD1-CD1 3.49Å; I36-I78 VanDerWaalsContact CD1-CD1 3.49Å; I36-I78 HydrophobicContact CG1-CD1 4.29Å; I36-I81 HydrophobicContact CG1-CG2 4.29Å
37V85.8Confident82.5Confident16 Ų1644.2 Ų44.210%0.09727%0.274CS..Hα-helixtrans-58.8-47172.4169.50000109.8I17 V33 A34 A39 V40 V41 L62I17-V37 HydrophobicContact CD1-CG2 3.5Å; V33-V37 HydrophobicContact CG1-CG2 4.26Å; V33-V37 VanDerWaalsContact O-CG2 3.3Å; V33-V37 WeakPolarHBondContact O-CG2 3.39Å; V33-V37 PolarHBondContact O-N 3.35Å; A34-V37 PolarHBondContact O-N 3.1Å; V37-A39 PolarHBondContact O-N 2.69Å; V37-V40 PolarHBondContact O-N 3.44Å; V37-V41 HydrophobicContact CG1-CG2 4.47Å; V37-V41 WeakPolarHBondContact O-CB 3.17Å; V37-V41 VanDerWaalsContact O-CG2 3.25Å; V37-V41 WeakPolarHBondContact O-CG2 3.35Å; V37-V41 PolarHBondContact O-N 3.09Å; V37-L62 HydrophobicContact CG1-CD2 4.38Å
38K81.6Confident82Confident63 Ų6338 Ų3827%0.27424%0.24SC..Hα-helixtrans-59.9-45.8176.1-174.4173.6179.3174.20111.4A34 F35 I36 V41 L42 I504A34-K38 PolarHBondContact O-N 3.19Å; F35-K38 WeakPolarHBondContact O-CB 3.49Å; F35-K38 PolarHBondContact O-N 3.19Å; I36-K38 VanDerWaalsContact C-N 3.31Å; I36-K38 PolarHBondContact O-N 3.16Å; K38-V41 PolarHBondContact O-N 3.35Å; K38-L42 HydrophobicContact CG-CD1 3.92Å; K38-L42 HydrophobicContact CG-CG 4.42Å; K38-L42 WeakPolarHBondContact O-CB 3.48Å; K38-L42 WeakPolarHBondContact O-CG 3.35Å; K38-L42 PolarHBondContact O-N 3.45Å; K38-I504 PolarHBondContact NZ-O 2.78Å; K38-I504 VanDerWaalsContact NZ-O 3.11Å
39A81.2Confident80.8Confident3 Ų343 Ų433%0.02527%0.265CS..Hα-helixtrans-58.3-47.4176.400000113.4F35 I36 V37 L42 D43 P488F35-A39 WeakPolarHBondContact O-CB 3.4Å; F35-A39 PolarHBondContact O-N 2.96Å; I36-A39 WeakPolarHBondContact O-CB 3.25Å; I36-A39 PolarHBondContact O-N 3.44Å; V37-A39 PolarHBondContact O-N 2.69Å; A39-L42 PolarHBondContact O-N 2.84Å; A39-D43 PolarHBondContact O-N 3.44Å; A39-P488 HydrophobicContact CB-CB 3.62Å; A39-P488 HydrophobicContact CB-CG 3.54Å
40V83.7Confident79.6Confident5 Ų545.6 Ų45.63%0.0328%0.281CS..Hα-helixtrans-67.7-38.1-179.5171.70000111.3I36 V37 L42 D43 S46 F48 L62 L65I36-V40 HydrophobicContact CG2-CG2 4.26Å; I36-V40 WeakPolarHBondContact O-CG2 3.44Å; I36-V40 PolarHBondContact O-N 2.83Å; V37-V40 PolarHBondContact O-N 3.44Å; V40-L42 VanDerWaalsContact C-N 3.35Å; V40-D43 PolarHBondContact O-N 2.83Å; V40-S46 WeakPolarHBondContact O-CB 3.32Å; V40-S46 PolarHBondContact O-OG 3.44Å; V40-F48 HydrophobicContact CG1-CD2 4.47Å; V40-F48 HydrophobicContact CG1-CE2 3.98Å; V40-L62 HydrophobicContact CB-CD1 4.14Å; V40-L62 HydrophobicContact CG1-CD1 3.63Å; V40-L65 HydrophobicContact CG1-CB 4.22Å; V40-L65 HydrophobicContact CG1-CD1 4.27Å
41V82.2Confident78.5Confident48 Ų4848.4 Ų48.429%0.29130%0.299SS..Hα-helixtrans-69.5-32.8176.1172.40000111.8V37 K38 L62V37-V41 HydrophobicContact CG1-CG2 4.47Å; V37-V41 WeakPolarHBondContact O-CB 3.17Å; V37-V41 VanDerWaalsContact O-CG2 3.25Å; V37-V41 WeakPolarHBondContact O-CG2 3.35Å; V37-V41 PolarHBondContact O-N 3.09Å; K38-V41 PolarHBondContact O-N 3.35Å; V41-L62 HydrophobicContact CG2-CD1 4.07Å; V41-L62 HydrophobicContact CG2-CD2 4.45Å
42L77.2Confident77.6Confident43 Ų4350 Ų5023%0.22530%0.301CS..Hα-helixtrans-73.2-27.8177.7-75.9172.8000113.3K38 A39 V40 P44 R485 I491 F500K38-L42 HydrophobicContact CG-CD1 3.92Å; K38-L42 HydrophobicContact CG-CG 4.42Å; K38-L42 WeakPolarHBondContact O-CB 3.48Å; K38-L42 WeakPolarHBondContact O-CG 3.35Å; K38-L42 PolarHBondContact O-N 3.45Å; A39-L42 PolarHBondContact O-N 2.84Å; V40-L42 VanDerWaalsContact C-N 3.35Å; L42-P44 VanDerWaalsContact O-CD 3.32Å; L42-P44 WeakPolarHBondContact O-CD 3.2Å; L42-R485 WeakPolarHBondContact O-CB 3.47Å; L42-I491 HydrophobicContact CD1-CD1 4.4Å; L42-F500 HydrophobicContact CD1-CD1 4.2Å; L42-F500 HydrophobicContact CD1-CG 4.38Å; L42-F500 HydrophobicContact CD2-CD1 3.95Å
43D80Confident76.7Confident28 Ų2853.8 Ų53.815%0.1533%0.326CS..  trans-70.3117.5-179-175.92.5000111.6A39 V40 A45 S46 R485A39-D43 PolarHBondContact O-N 3.44Å; V40-D43 PolarHBondContact O-N 2.83Å; D43-A45 PolarHBondContact O-N 3.5Å; D43-A45 VanDerWaalsContact O-N 3.15Å; D43-A45 WeakPolarHBondContact OD1-CB 3.22Å; D43-A45 PolarHBondContact OD1-N 3.34Å; D43-S46 WeakPolarHBondContact O-CB 3.48Å; D43-S46 PolarHBondContact O-N 3.32Å; D43-S46 VanDerWaalsContact O-N 3.1Å; D43-R485 WeakPolarHBondContact CA-O 3.48Å
44P74Confident76Confident91 Ų9156.9 Ų56.959%0.59134%0.342SS*.G310 helixtrans-57.7-28176.6-23.234.3000113.4L42 S46 G47L42-P44 VanDerWaalsContact O-CD 3.32Å; L42-P44 WeakPolarHBondContact O-CD 3.2Å; P44-S46 VanDerWaalsContact C-N 3.26Å; P44-S46 PolarHBondContact O-N 2.96Å; P44-G47 PolarHBondContact O-N 3.48Å
45A75.7Confident75.6Confident87 Ų8758.8 Ų58.872%0.71935%0.348SS*.G310 helixtrans-68.7-23.5-179.900000113.2D43 G47D43-A45 PolarHBondContact O-N 3.5Å; D43-A45 VanDerWaalsContact O-N 3.15Å; D43-A45 WeakPolarHBondContact OD1-CB 3.22Å; D43-A45 PolarHBondContact OD1-N 3.34Å; A45-G47 PolarHBondContact O-N 3.48Å
46S75.9Confident75.4Confident13 Ų1363 Ų639%0.09137%0.373CS..G310 helixtrans-70.4-20.3179.1-58.40000112.8V40 D43 P44 F48 K61V40-S46 WeakPolarHBondContact O-CB 3.32Å; V40-S46 PolarHBondContact O-OG 3.44Å; D43-S46 WeakPolarHBondContact O-CB 3.48Å; D43-S46 PolarHBondContact O-N 3.32Å; D43-S46 VanDerWaalsContact O-N 3.1Å; P44-S46 VanDerWaalsContact C-N 3.26Å; P44-S46 PolarHBondContact O-N 2.96Å; S46-F48 VanDerWaalsContact C-N 3.32Å; S46-F48 VanDerWaalsContact CB-CD2 3.47Å; S46-K61 PolarHBondContact O-NZ 3.44Å
47G72.7Confident75.2Confident58 Ų5868.6 Ų68.660%0.59840%0.399SS*.  trans76.912.4176.700000114.8P44 A45P44-G47 PolarHBondContact O-N 3.48Å; A45-G47 PolarHBondContact O-N 3.48Å
48F72.9Confident75Confident21 Ų2169.4 Ų69.49%0.09240%0.403CS..  trans-82.5117.4174.8-59.4-67.3000109.6V40 S46 L54 D58 K61 L62 L65V40-F48 HydrophobicContact CG1-CD2 4.47Å; V40-F48 HydrophobicContact CG1-CE2 3.98Å; S46-F48 VanDerWaalsContact C-N 3.32Å; S46-F48 VanDerWaalsContact CB-CD2 3.47Å; F48-L54 HydrophobicContact CD1-CD2 3.78Å; F48-L54 HydrophobicContact CE1-CD2 4.22Å; F48-D58 HydrophobicContact CE1-CB 4.11Å; F48-K61 HydrophobicContact CZ-CD 4.26Å; F48-K61 HydrophobicContact CZ-CG 4.4Å; F48-L62 HydrophobicContact CE1-CB 4.29Å; F48-L62 HydrophobicContact CE2-CB 4.35Å; F48-L62 HydrophobicContact CE2-CD1 3.91Å; F48-L62 HydrophobicContact CZ-CB 3.76Å; F48-L62 HydrophobicContact CZ-CD1 4.19Å; F48-L65 HydrophobicContact CE2-CD1 4.09Å; F48-L65 HydrophobicContact CZ-CD1 4.37Å
49L62.8Low75.1Confident122 Ų12267.8 Ų67.864%0.63940%0.397SS*.  trans-82.1128.9174.4-70.9167.6000109.4D51 K52L49-D51 PolarHBondContact O-N 3.32Å; L49-D51 VanDerWaalsContact O-N 3.13Å; L49-K52 HydrophobicContact CB-CB 4.06Å; L49-K52 PolarHBondContact O-N 2.92Å
50P61.9Low75.3Confident117 Ų11773.3 Ų73.376%0.7642%0.42SS*.THydrogen-bonded Turntrans-55.8-32.7-178.5-23.530.7000113.9
51D62.8Low75.5Confident160 Ų16077.6 Ų77.686%0.85644%0.439SS*.THydrogen-bonded Turntrans-92.8-7.9-173.6-60.9-38.9000113.9L49L49-D51 PolarHBondContact O-N 3.32Å; L49-D51 VanDerWaalsContact O-N 3.13Å
52K67Low75.7Confident98 Ų9875.4 Ų75.443%0.42643%0.425SS..SBendtrans-90.5127.5178.6-170-166.5167.5-141.20109.1L49 L54 D55 D58L49-K52 HydrophobicContact CB-CB 4.06Å; L49-K52 PolarHBondContact O-N 2.92Å; K52-L54 PolarHBondContact O-N 3.43Å; K52-D55 IonicContact NZ-OD2 3.25Å; K52-D55 PolarHBondContact NZ-OD2 3.1Å; K52-D58 IonicContact NZ-OD2 2.81Å; K52-D58 PolarHBondContact NZ-OD2 3.44Å
53P69.5Low76.2Confident91 Ų9173.6 Ų73.659%0.59142%0.416SS*.PPolyproline II helixtrans-60.5131169.226-32.6000109.7M1 D55M1-P53 HydrophobicContact CE-CB 4.27Å; P53-D55 PolarHBondContact O-N 2.87Å
54L71.7Confident76.6Confident65 Ų6577.9 Ų77.934%0.3444%0.435SS..PPolyproline II helixtrans-61.1121.2176.9-66.5165.4000109.6F48 K52 D58 I59 L62F48-L54 HydrophobicContact CD1-CD2 3.78Å; F48-L54 HydrophobicContact CE1-CD2 4.22Å; K52-L54 PolarHBondContact O-N 3.43Å; L54-D58 HydrophobicContact CB-CB 4.38Å; L54-D58 HydrophobicContact CD2-CB 3.96Å; L54-I59 HydrophobicContact CB-CG1 4.05Å; L54-L62 HydrophobicContact CD1-CD2 4.4Å
55D79.7Confident77.3Confident65 Ų6576.7 Ų76.735%0.34842%0.423SS..PPolyproline II helixtrans-81.3171.6170.265.146.1000111.6K52 P53 E57 D58 I59K52-D55 IonicContact NZ-OD2 3.25Å; K52-D55 PolarHBondContact NZ-OD2 3.1Å; P53-D55 PolarHBondContact O-N 2.87Å; D55-E57 PolarHBondContact O-N 3.26Å; D55-E57 PolarHBondContact OD1-N 3.29Å; D55-D58 VanDerWaalsContact CG-CG 3.46Å; D55-D58 PolarHBondContact N-OD2 2.72Å; D55-D58 WeakPolarHBondContact O-CB 3.41Å; D55-D58 PolarHBondContact O-N 2.94Å; D55-D58 WeakPolarHBondContact OD1-CB 3.48Å; D55-D58 PolarHBondContact OD1-N 3.05Å; D55-D58 VanDerWaalsContact OD2-OD2 3.13Å; D55-I59 VanDerWaalsContact O-CG1 3.32Å; D55-I59 WeakPolarHBondContact O-CG1 3.34Å; D55-I59 PolarHBondContact O-N 2.99Å
56N79.2Confident78Confident129 Ų12972.5 Ų72.569%0.6939%0.389SS*.Hα-helixtrans-64.4-25.9-177-75.4-22.4000113.2K60N56-K60 WeakPolarHBondContact O-CG 3.41Å; N56-K60 PolarHBondContact O-N 3.45Å
57E81.8Confident78.7Confident117 Ų11771.9 Ų71.955%0.54739%0.385SS..Hα-helixtrans-80.2-39.9176.3-67.3-56.9137.400110.7D55 I59 K60 K61D55-E57 PolarHBondContact O-N 3.26Å; D55-E57 PolarHBondContact OD1-N 3.29Å; E57-I59 VanDerWaalsContact C-N 3.26Å; E57-I59 PolarHBondContact O-N 3.07Å; E57-K60 PolarHBondContact O-N 2.75Å; E57-K60 IonicContact OE1-NZ 3.44Å; E57-K60 PolarHBondContact OE1-NZ 3.39Å; E57-K60 IonicContact OE2-NZ 2.88Å; E57-K61 WeakPolarHBondContact O-CB 3.32Å; E57-K61 PolarHBondContact O-N 3.42Å
58D82.3Confident79.5Confident34 Ų3472.4 Ų72.418%0.18237%0.373CS..Hα-helixtrans-55.5-43.1170.4-69.2-30.8000110.4F48 K52 L54 D55 K61 L62F48-D58 HydrophobicContact CE1-CB 4.11Å; K52-D58 IonicContact NZ-OD2 2.81Å; K52-D58 PolarHBondContact NZ-OD2 3.44Å; L54-D58 HydrophobicContact CB-CB 4.38Å; L54-D58 HydrophobicContact CD2-CB 3.96Å; D55-D58 VanDerWaalsContact CG-CG 3.46Å; D55-D58 PolarHBondContact N-OD2 2.72Å; D55-D58 WeakPolarHBondContact O-CB 3.41Å; D55-D58 PolarHBondContact O-N 2.94Å; D55-D58 WeakPolarHBondContact OD1-CB 3.48Å; D55-D58 PolarHBondContact OD1-N 3.05Å; D55-D58 VanDerWaalsContact OD2-OD2 3.13Å; D58-K61 PolarHBondContact O-N 3.29Å; D58-L62 VanDerWaalsContact O-CB 3.28Å; D58-L62 WeakPolarHBondContact O-CB 3.42Å; D58-L62 PolarHBondContact O-N 2.92Å
59I83Confident80.2Confident29 Ų2974 Ų7415%0.14938%0.379CS..Hα-helixtrans-64.1-45176.8-68.2168.5000111.5I13 L54 D55 E57 L62 I63I13-I59 HydrophobicContact CD1-CD1 4.48Å; I13-I59 HydrophobicContact CD1-CG1 4.15Å; I13-I59 HydrophobicContact CD1-CG2 4.21Å; I13-I59 HydrophobicContact CG1-CG2 4.07Å; L54-I59 HydrophobicContact CB-CG1 4.05Å; D55-I59 VanDerWaalsContact O-CG1 3.32Å; D55-I59 WeakPolarHBondContact O-CG1 3.34Å; D55-I59 PolarHBondContact O-N 2.99Å; E57-I59 VanDerWaalsContact C-N 3.26Å; E57-I59 PolarHBondContact O-N 3.07Å; I59-L62 PolarHBondContact O-N 3.29Å; I59-I63 HydrophobicContact CG2-CD1 3.76Å; I59-I63 HydrophobicContact CG2-CG1 4.41Å; I59-I63 VanDerWaalsContact O-CG1 3.23Å; I59-I63 WeakPolarHBondContact O-CG1 3.28Å; I59-I63 PolarHBondContact O-N 2.98Å
60K85.6Confident81.4Confident118 Ų11868.3 Ų68.351%0.51335%0.349SS..Hα-helixtrans-62.3-45.3177.5-72.7173.2-170.2165.90111.3N56 E57 L62 I63 E64N56-K60 WeakPolarHBondContact O-CG 3.41Å; N56-K60 PolarHBondContact O-N 3.45Å; E57-K60 PolarHBondContact O-N 2.75Å; E57-K60 IonicContact OE1-NZ 3.44Å; E57-K60 PolarHBondContact OE1-NZ 3.39Å; E57-K60 IonicContact OE2-NZ 2.88Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 2.74Å; K60-I63 PolarHBondContact O-N 3.09Å; K60-E64 PolarHBondContact O-N 3.27Å
61K87Confident82.6Confident95 Ų9564 Ų6441%0.41332%0.321SS..Hα-helixtrans-60.1-44.6176.5-173.6-170.5179.7-161.30111.2S46 F48 E57 D58 E64 L65S46-K61 PolarHBondContact O-NZ 3.44Å; F48-K61 HydrophobicContact CZ-CD 4.26Å; F48-K61 HydrophobicContact CZ-CG 4.4Å; E57-K61 WeakPolarHBondContact O-CB 3.32Å; E57-K61 PolarHBondContact O-N 3.42Å; D58-K61 PolarHBondContact O-N 3.29Å; K61-E64 PolarHBondContact O-N 2.7Å; K61-L65 HydrophobicContact CG-CD1 4.12Å; K61-L65 HydrophobicContact CG-CG 4.49Å; K61-L65 WeakPolarHBondContact O-CB 3.45Å; K61-L65 VanDerWaalsContact O-CG 3.29Å; K61-L65 WeakPolarHBondContact O-CG 3.27Å; K61-L65 PolarHBondContact O-N 3.26Å
62L87.1Confident83.6Confident2 Ų260 Ų601%0.0130%0.299CS..Hα-helixtrans-59.7-47.7176.8177.962.7000111.2I13 V37 V40 V41 F48 L54 D58 I59 K60 E64 L65 C66I13-L62 HydrophobicContact CG2-CD2 4.35Å; V37-L62 HydrophobicContact CG1-CD2 4.38Å; V40-L62 HydrophobicContact CB-CD1 4.14Å; V40-L62 HydrophobicContact CG1-CD1 3.63Å; V41-L62 HydrophobicContact CG2-CD1 4.07Å; V41-L62 HydrophobicContact CG2-CD2 4.45Å; F48-L62 HydrophobicContact CE1-CB 4.29Å; F48-L62 HydrophobicContact CE2-CB 4.35Å; F48-L62 HydrophobicContact CE2-CD1 3.91Å; F48-L62 HydrophobicContact CZ-CB 3.76Å; F48-L62 HydrophobicContact CZ-CD1 4.19Å; L54-L62 HydrophobicContact CD1-CD2 4.4Å; D58-L62 VanDerWaalsContact O-CB 3.28Å; D58-L62 WeakPolarHBondContact O-CB 3.42Å; D58-L62 PolarHBondContact O-N 2.92Å; I59-L62 PolarHBondContact O-N 3.29Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 2.74Å; L62-E64 PolarHBondContact O-N 3.08Å; L62-L65 PolarHBondContact O-N 3.24Å; L62-C66 WeakPolarHBondContact O-CB 3.37Å; L62-C66 PolarHBondContact O-N 2.88Å; L62-C66 PolarHBondContact O-SG 3.17Å
63I87.4Confident84.2Confident5 Ų562.1 Ų62.13%0.02631%0.311CS..Hα-helixtrans-59.7-48.2177.7-68.6167.1000110.3I13 Q16 I17 I59 K60 L65 C66 V67I13-I63 HydrophobicContact CG2-CG1 4.15Å; Q16-I63 HydrophobicContact CB-CD1 4.45Å; Q16-I63 VanDerWaalsContact CD-CD1 3.45Å; Q16-I63 HydrophobicContact CG-CD1 4.07Å; I17-I63 HydrophobicContact CD1-CG1 4.36Å; I17-I63 HydrophobicContact CG1-CB 4.19Å; I17-I63 HydrophobicContact CG1-CG1 3.91Å; I17-I63 HydrophobicContact CG1-CG2 4Å; I59-I63 HydrophobicContact CG2-CD1 3.76Å; I59-I63 HydrophobicContact CG2-CG1 4.41Å; I59-I63 VanDerWaalsContact O-CG1 3.23Å; I59-I63 WeakPolarHBondContact O-CG1 3.28Å; I59-I63 PolarHBondContact O-N 2.98Å; K60-I63 PolarHBondContact O-N 3.09Å; I63-L65 PolarHBondContact O-N 3.08Å; I63-C66 PolarHBondContact O-N 3Å; I63-V67 HydrophobicContact CG2-CG2 4.18Å; I63-V67 WeakPolarHBondContact O-CB 3.35Å; I63-V67 WeakPolarHBondContact O-CG2 3.35Å; I63-V67 PolarHBondContact O-N 3.11Å
64E89.7Confident84.7Confident118 Ų11859 Ų5955%0.55130%0.295SS*.Hα-helixtrans-60.7-46.1179.6-175.9177.2-17600112.2K60 K61 L62 V67 N68K60-E64 PolarHBondContact O-N 3.27Å; K61-E64 PolarHBondContact O-N 2.7Å; L62-E64 PolarHBondContact O-N 3.08Å; E64-V67 PolarHBondContact O-N 3.1Å; E64-N68 VanDerWaalsContact O-CB 3.31Å; E64-N68 WeakPolarHBondContact O-CB 3.31Å; E64-N68 PolarHBondContact O-N 3.48Å; E64-N68 PolarHBondContact O-ND2 3.16Å
65L88.2Confident85.4Confident66 Ų6657.1 Ų57.135%0.34629%0.287SS..Hα-helixtrans-61.2-46.1176.9-73.2173.7000111.8V40 F48 K61 L62 I63 R69V40-L65 HydrophobicContact CG1-CB 4.22Å; V40-L65 HydrophobicContact CG1-CD1 4.27Å; F48-L65 HydrophobicContact CE2-CD1 4.09Å; F48-L65 HydrophobicContact CZ-CD1 4.37Å; K61-L65 HydrophobicContact CG-CD1 4.12Å; K61-L65 HydrophobicContact CG-CG 4.49Å; K61-L65 WeakPolarHBondContact O-CB 3.45Å; K61-L65 VanDerWaalsContact O-CG 3.29Å; K61-L65 WeakPolarHBondContact O-CG 3.27Å; K61-L65 PolarHBondContact O-N 3.26Å; L62-L65 PolarHBondContact O-N 3.24Å; I63-L65 PolarHBondContact O-N 3.08Å; L65-R69 WeakPolarHBondContact O-CB 3.34Å; L65-R69 PolarHBondContact O-N 3Å
66C89.8Confident85.9Confident0 Ų054.6 Ų54.60%027%0.274CS..Hα-helixtrans-63.5-47.4177.9-70.50000111.6I17 I36 L62 I63 R69 I70I17-C66 HydrophobicContact CD1-CB 3.76Å; I17-C66 HydrophobicContact CG1-CB 4.33Å; I17-C66 HydrophobicContact CG2-CB 4.21Å; I36-C66 HydrophobicContact CG2-CB 4.19Å; L62-C66 WeakPolarHBondContact O-CB 3.37Å; L62-C66 PolarHBondContact O-N 2.88Å; L62-C66 PolarHBondContact O-SG 3.17Å; I63-C66 PolarHBondContact O-N 3Å; C66-R69 PolarHBondContact O-N 2.96Å; C66-I70 WeakPolarHBondContact O-CB 3.19Å; C66-I70 WeakPolarHBondContact O-CD1 3.35Å; C66-I70 WeakPolarHBondContact O-CG1 3.32Å; C66-I70 PolarHBondContact O-N 3.28Å
67V89.7Confident86.4Confident0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-63-45.9-179.8175.40000110.4I17 Q20 R24 I63 E64 R69 I70 T71I17-V67 HydrophobicContact CB-CG2 4.46Å; I17-V67 HydrophobicContact CG2-CG2 3.92Å; Q20-V67 HydrophobicContact CB-CG1 4.48Å; Q20-V67 HydrophobicContact CB-CG2 3.83Å; R24-V67 VanDerWaalsContact CZ-CG1 3.41Å; I63-V67 HydrophobicContact CG2-CG2 4.18Å; I63-V67 WeakPolarHBondContact O-CB 3.35Å; I63-V67 WeakPolarHBondContact O-CG2 3.35Å; I63-V67 PolarHBondContact O-N 3.11Å; E64-V67 PolarHBondContact O-N 3.1Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.97Å; V67-I70 PolarHBondContact O-N 3.42Å; V67-T71 HydrophobicContact CG1-CG2 4.34Å; V67-T71 WeakPolarHBondContact O-CG2 3.33Å; V67-T71 PolarHBondContact O-N 3.38Å; V67-T71 PolarHBondContact O-OG1 3.12Å
68N89.9Confident86.9Confident68 Ų6843.5 Ų43.536%0.36422%0.219SC..Hα-helixtrans-61.2-42.1178.1-70.6-17.9000111.8R24 E64 T71 D72R24-N68 PolarHBondContact NH1-OD1 3.22Å; R24-N68 PolarHBondContact NH2-OD1 3.43Å; E64-N68 VanDerWaalsContact O-CB 3.31Å; E64-N68 WeakPolarHBondContact O-CB 3.31Å; E64-N68 PolarHBondContact O-N 3.48Å; E64-N68 PolarHBondContact O-ND2 3.16Å; N68-T71 PolarHBondContact O-OG1 3.28Å; N68-D72 PolarHBondContact O-N 2.92Å
69R87.7Confident87.3Confident56 Ų5642.6 Ų42.621%0.21122%0.215CC..Hα-helixtrans-66.1-37.2176.2-169.7174-176.3167.84.1112.8L65 C66 V67 I78L65-R69 WeakPolarHBondContact O-CB 3.34Å; L65-R69 PolarHBondContact O-N 3Å; C66-R69 PolarHBondContact O-N 2.96Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.97Å; R69-I78 WeakPolarHBondContact O-CG1 3.42Å
70I89Confident87.9Confident1 Ų141.2 Ų41.21%0.00521%0.208CC..Hα-helixtrans-68.5-42.3178.2-72.7163.1000111.7I17 C21 V28 V33 I36 C66 V67 D72 K82I17-I70 HydrophobicContact CG2-CD1 3.64Å; C21-I70 HydrophobicContact CB-CG2 4.42Å; C21-I70 VanDerWaalsContact SG-CG2 3.58Å; V28-I70 HydrophobicContact CG1-CG2 3.75Å; V33-I70 HydrophobicContact CG2-CD1 4.15Å; I36-I70 HydrophobicContact CD1-CD1 3.97Å; I36-I70 HydrophobicContact CD1-CG1 3.3Å; I36-I70 HydrophobicContact CG2-CD1 4.42Å; I36-I70 HydrophobicContact CG2-CG1 4.25Å; C66-I70 WeakPolarHBondContact O-CB 3.19Å; C66-I70 WeakPolarHBondContact O-CD1 3.35Å; C66-I70 WeakPolarHBondContact O-CG1 3.32Å; C66-I70 PolarHBondContact O-N 3.28Å; V67-I70 PolarHBondContact O-N 3.42Å; I70-D72 VanDerWaalsContact C-N 3.31Å; I70-K82 PolarHBondContact O-NZ 2.91Å
71T86.5Confident88.2Confident27 Ų2735.6 Ų35.617%0.16618%0.183CC..Hα-helixtrans-83.6-4.1-175.558.90000114.1R24 V67 N68 Q73R24-T71 HydrophobicContact CB-CG2 4.15Å; R24-T71 PolarHBondContact NH1-OG1 2.93Å; V67-T71 HydrophobicContact CG1-CG2 4.34Å; V67-T71 WeakPolarHBondContact O-CG2 3.33Å; V67-T71 PolarHBondContact O-N 3.38Å; V67-T71 PolarHBondContact O-OG1 3.12Å; N68-T71 PolarHBondContact O-OG1 3.28Å; T71-Q73 PolarHBondContact O-N 3.03Å
72D84.3Confident88.4Confident75 Ų7532.5 Ų32.540%0.40117%0.17SC..  trans-7199.5174.2-174.93.7000110.4N68 I70 G74 S75 I78N68-D72 PolarHBondContact O-N 2.92Å; I70-D72 VanDerWaalsContact C-N 3.31Å; D72-G74 PolarHBondContact O-N 2.85Å; D72-G74 PolarHBondContact OD1-N 2.63Å; D72-S75 WeakPolarHBondContact OD2-CB 3.4Å; D72-I78 WeakPolarHBondContact O-CG2 3.46Å
73Q78.6Confident88.7Confident144 Ų14432.4 Ų32.467%0.67317%0.169SC*.THydrogen-bonded Turntrans-75-9.7177.7-68.6-177.6-22.800113.4H26 T71H26-Q73 PolarHBondContact CE1-NE2 2.78Å; T71-Q73 PolarHBondContact O-N 3.03Å
74G79.5Confident89Confident25 Ų2532.5 Ų32.526%0.25817%0.169SC..THydrogen-bonded Turntrans-102.13.1-172.700000114.8D72 P76 K371D72-G74 PolarHBondContact O-N 2.85Å; D72-G74 PolarHBondContact OD1-N 2.63Å; G74-P76 WeakPolarHBondContact O-CD 3.07Å; G74-K371 WeakPolarHBondContact O-CE 3.39Å; G74-K371 PolarHBondContact O-NZ 3.34Å
75S87.2Confident89.1Confident25 Ų2527.1 Ų27.118%0.17515%0.145CC..  trans-104.9114.5-172.9170.80000112.2D72 S77 I78 D79D72-S75 WeakPolarHBondContact OD2-CB 3.4Å; S75-S77 PolarHBondContact O-N 2.96Å; S75-S77 VanDerWaalsContact O-N 3.1Å; S75-S77 PolarHBondContact OG-N 2.94Å; S75-I78 WeakPolarHBondContact O-CG2 3.36Å; S75-I78 PolarHBondContact O-N 3.39Å; S75-D79 PolarHBondContact O-N 3.07Å
76P90.4Very high89.3Confident13 Ų1325.6 Ų25.68%0.08414%0.135CC..Hα-helixtrans-58.1-25.2173.9-26.635.4000114G74 T80 A275 S276 V366G74-P76 WeakPolarHBondContact O-CD 3.07Å; P76-T80 WeakPolarHBondContact O-CB 3.4Å; P76-T80 PolarHBondContact O-N 3.06Å; P76-T80 PolarHBondContact O-OG1 3.22Å; P76-A275 HydrophobicContact CB-CB 3.81Å; P76-A275 HydrophobicContact CG-CB 4.37Å; P76-S276 WeakPolarHBondContact CG-OG 3.41Å; P76-V366 HydrophobicContact CB-CG1 3.69Å; P76-V366 HydrophobicContact CG-CG1 4.06Å
77S90.6Very high89.4Confident11 Ų1126.4 Ų26.48%0.07714%0.139CC..Hα-helixtrans-65.4-48.8178.5177.20000111.1S75 T80 I81 E489S75-S77 PolarHBondContact O-N 2.96Å; S75-S77 VanDerWaalsContact O-N 3.1Å; S75-S77 PolarHBondContact OG-N 2.94Å; S77-T80 WeakPolarHBondContact O-CB 3.4Å; S77-T80 PolarHBondContact O-N 3.35Å; S77-I81 WeakPolarHBondContact O-CG1 3.4Å; S77-I81 PolarHBondContact O-N 2.72Å; S77-I81 VanDerWaalsContact O-N 3.09Å; S77-E489 VanDerWaalsContact CB-OE1 3.23Å; S77-E489 WeakPolarHBondContact CB-OE1 3.41Å; S77-E489 PolarHBondContact OG-OE1 2.91Å; S77-E489 PolarHBondContact OG-OE2 3.45Å
78I90.8Very high89.5Confident1 Ų131.2 Ų31.21%0.00516%0.162CC..Hα-helixtrans-69-35.6178.6-174.866.3000111.6I36 R69 D72 S75 T80 I81 K82I36-I78 HydrophobicContact CD1-CD1 3.49Å; I36-I78 VanDerWaalsContact CD1-CD1 3.49Å; I36-I78 HydrophobicContact CG1-CD1 4.29Å; R69-I78 WeakPolarHBondContact O-CG1 3.42Å; D72-I78 WeakPolarHBondContact O-CG2 3.46Å; S75-I78 WeakPolarHBondContact O-CG2 3.36Å; S75-I78 PolarHBondContact O-N 3.39Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 2.9Å; I78-I81 PolarHBondContact O-N 3.19Å; I78-K82 HydrophobicContact CG1-CD 4.21Å; I78-K82 HydrophobicContact CG1-CG 4.39Å; I78-K82 WeakPolarHBondContact O-CB 3.29Å; I78-K82 WeakPolarHBondContact O-CG 3.23Å; I78-K82 PolarHBondContact O-N 2.95Å
79D92Very high89.4Confident15 Ų1531.9 Ų31.98%0.0817%0.168CC..Hα-helixtrans-64.4-38.5175.7-69.2-24.2000111.5S75 I81 K82 M83S75-D79 PolarHBondContact O-N 3.07Å; D79-I81 PolarHBondContact O-N 3.35Å; D79-K82 PolarHBondContact O-N 3.38Å; D79-M83 VanDerWaalsContact O-CB 3.27Å; D79-M83 WeakPolarHBondContact O-CB 3.25Å; D79-M83 PolarHBondContact O-N 3.45Å
80T94.2Very high89.4Confident0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-60.3-45.9172-55.10000111.7P76 S77 I78 M83 Q84 V278 N279 Q282 E489P76-T80 WeakPolarHBondContact O-CB 3.4Å; P76-T80 PolarHBondContact O-N 3.06Å; P76-T80 PolarHBondContact O-OG1 3.22Å; S77-T80 WeakPolarHBondContact O-CB 3.4Å; S77-T80 PolarHBondContact O-N 3.35Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 2.9Å; T80-M83 WeakPolarHBondContact O-CB 3.48Å; T80-M83 PolarHBondContact O-N 3.45Å; T80-Q84 HydrophobicContact CG2-CG 4.43Å; T80-Q84 WeakPolarHBondContact O-CB 3.45Å; T80-Q84 VanDerWaalsContact O-CG 3.25Å; T80-Q84 WeakPolarHBondContact O-CG 3.37Å; T80-Q84 PolarHBondContact O-N 3.15Å; T80-V278 HydrophobicContact CG2-CG1 4.07Å; T80-N279 PolarHBondContact N-ND2 2.99Å; T80-N279 VanDerWaalsContact OG1-CA 3.25Å; T80-N279 WeakPolarHBondContact OG1-CA 3.49Å; T80-N279 WeakPolarHBondContact OG1-CB 3.47Å; T80-N279 PolarHBondContact OG1-ND2 3.45Å; T80-Q282 HydrophobicContact CG2-CB 4.08Å; T80-Q282 HydrophobicContact CG2-CG 4.15Å; T80-E489 HydrophobicContact CG2-CB 3.99Å
81I91.9Very high89.4Confident0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-64.2-44.4178.8-66.9169.9000110.9L32 F35 I36 S77 I78 D79 M83 Q84 V85 P488 E489L32-I81 HydrophobicContact CD1-CG2 3.89Å; F35-I81 HydrophobicContact CD1-CG2 3.39Å; F35-I81 HydrophobicContact CE1-CB 4.37Å; F35-I81 HydrophobicContact CE1-CD1 4.17Å; F35-I81 HydrophobicContact CE1-CG1 3.98Å; F35-I81 HydrophobicContact CE1-CG2 3.57Å; F35-I81 HydrophobicContact CG-CG2 4.37Å; I36-I81 HydrophobicContact CG1-CG2 4.29Å; S77-I81 WeakPolarHBondContact O-CG1 3.4Å; S77-I81 PolarHBondContact O-N 2.72Å; S77-I81 VanDerWaalsContact O-N 3.09Å; I78-I81 PolarHBondContact O-N 3.19Å; D79-I81 PolarHBondContact O-N 3.35Å; I81-M83 VanDerWaalsContact C-N 3.31Å; I81-M83 PolarHBondContact O-N 2.95Å; I81-Q84 PolarHBondContact O-N 3.3Å; I81-V85 HydrophobicContact CG2-CG2 4.36Å; I81-V85 WeakPolarHBondContact O-CG2 3.39Å; I81-V85 PolarHBondContact O-N 2.8Å; I81-P488 HydrophobicContact CD1-CG 4.27Å; I81-E489 HydrophobicContact CG1-CB 4.05Å
82K91.8Very high89.3Confident30 Ų3034.4 Ų34.413%0.1319%0.186CC..Hα-helixtrans-58.7-44.8175.5-74.9169.2179.6161.30111L32 I70 I78 D79 F86 Y364L32-K82 HydrophobicContact CD1-CG 4.14Å; L32-K82 HydrophobicContact CD2-CG 3.87Å; I70-K82 PolarHBondContact O-NZ 2.91Å; I78-K82 HydrophobicContact CG1-CD 4.21Å; I78-K82 HydrophobicContact CG1-CG 4.39Å; I78-K82 WeakPolarHBondContact O-CB 3.29Å; I78-K82 WeakPolarHBondContact O-CG 3.23Å; I78-K82 PolarHBondContact O-N 2.95Å; D79-K82 PolarHBondContact O-N 3.38Å; K82-F86 WeakPolarHBondContact O-CB 3.1Å; K82-F86 PolarHBondContact O-N 3.31Å; K82-Y364 HydrophobicContact CB-CD1 3.75Å; K82-Y364 HydrophobicContact CB-CE1 3.68Å; K82-Y364 HydrophobicContact CB-CG 4.36Å; K82-Y364 HydrophobicContact CD-CD1 4.3Å; K82-Y364 HydrophobicContact CD-CE1 4.11Å; K82-Y364 HydrophobicContact CG-CE1 4.42Å
83M93.8Very high89.6Confident0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-61.1-46.1176.4-170.5174.545.300111.8D79 T80 I81 F86 F87 Q282 Y283 F286 L361 Y364D79-M83 VanDerWaalsContact O-CB 3.27Å; D79-M83 WeakPolarHBondContact O-CB 3.25Å; D79-M83 PolarHBondContact O-N 3.45Å; T80-M83 WeakPolarHBondContact O-CB 3.48Å; T80-M83 PolarHBondContact O-N 3.45Å; I81-M83 VanDerWaalsContact C-N 3.31Å; I81-M83 PolarHBondContact O-N 2.95Å; M83-F86 PolarHBondContact O-N 2.81Å; M83-F87 WeakPolarHBondContact O-CB 3.44Å; M83-F87 PolarHBondContact O-N 3.32Å; M83-Q282 HydrophobicContact CE-CB 3.74Å; M83-Q282 HydrophobicContact CE-CG 3.64Å; M83-Y283 HydrophobicContact SD-CD2 3.81Å; M83-Y283 HydrophobicContact SD-CG 4.3Å; M83-F286 HydrophobicContact CG-CD2 3.98Å; M83-F286 HydrophobicContact CG-CE2 3.95Å; M83-F286 HydrophobicContact SD-CD2 4.2Å; M83-L361 HydrophobicContact CG-CD2 3.51Å; M83-L361 HydrophobicContact SD-CD2 4.37Å; M83-Y364 HydrophobicContact CB-CD2 4.07Å; M83-Y364 HydrophobicContact CB-CG 4.14Å; M83-Y364 HydrophobicContact CG-CD2 4.39Å
84Q93.6Very high90.2Very high7 Ų731.4 Ų31.43%0.03317%0.167CC..Hα-helixtrans-62-49.8178.6-74167.7-2000112.1T80 I81 F86 F87 E88 Q282 F286 E489 P492T80-Q84 HydrophobicContact CG2-CG 4.43Å; T80-Q84 WeakPolarHBondContact O-CB 3.45Å; T80-Q84 VanDerWaalsContact O-CG 3.25Å; T80-Q84 WeakPolarHBondContact O-CG 3.37Å; T80-Q84 PolarHBondContact O-N 3.15Å; I81-Q84 PolarHBondContact O-N 3.3Å; Q84-F86 VanDerWaalsContact C-N 3.34Å; Q84-F86 PolarHBondContact O-N 2.89Å; Q84-F87 PolarHBondContact O-N 2.84Å; Q84-E88 WeakPolarHBondContact O-CB 3.22Å; Q84-E88 PolarHBondContact O-N 3.12Å; Q84-Q282 HydrophobicContact CG-CG 3.85Å; Q84-F286 HydrophobicContact CB-CZ 4.47Å; Q84-F286 HydrophobicContact CG-CE2 4.24Å; Q84-F286 HydrophobicContact CG-CZ 4.09Å; Q84-E489 PolarHBondContact NE2-O 3.02Å; Q84-P492 HydrophobicContact CB-CG 4.49Å; Q84-P492 HydrophobicContact CG-CB 4.28Å; Q84-P492 HydrophobicContact CG-CG 4.38Å
85V91.4Very high90.9Very high6 Ų636.6 Ų36.64%0.03619%0.189CC..Hα-helixtrans-65.3-39.8178.9173.80000111T31 L32 F35 I81 E88 V89T31-V85 HydrophobicContact CG2-CG1 4Å; L32-V85 HydrophobicContact CB-CG1 4.17Å; L32-V85 HydrophobicContact CD1-CB 4.21Å; L32-V85 HydrophobicContact CD1-CG2 4Å; F35-V85 HydrophobicContact CB-CG2 4.11Å; F35-V85 HydrophobicContact CD2-CG2 4.45Å; F35-V85 HydrophobicContact CG-CG2 4.14Å; I81-V85 HydrophobicContact CG2-CG2 4.36Å; I81-V85 WeakPolarHBondContact O-CG2 3.39Å; I81-V85 PolarHBondContact O-N 2.8Å; V85-E88 PolarHBondContact O-N 3.36Å; V85-V89 HydrophobicContact CG1-CG2 4.44Å; V85-V89 WeakPolarHBondContact O-CG2 2.97Å; V85-V89 PolarHBondContact O-N 3.15Å; V85-V89 VanDerWaalsContact O-N 3.1Å
86F92.1Very high91.1Very high33 Ų3340 Ų4015%0.14520%0.202CC..Hα-helixtrans-60.5-47.8176.1174.1-96.6000111.1K82 M83 Q84 V89 N90 T357 T360 L361 Y364K82-F86 WeakPolarHBondContact O-CB 3.1Å; K82-F86 PolarHBondContact O-N 3.31Å; M83-F86 PolarHBondContact O-N 2.81Å; Q84-F86 VanDerWaalsContact C-N 3.34Å; Q84-F86 PolarHBondContact O-N 2.89Å; F86-V89 PolarHBondContact O-N 2.83Å; F86-N90 HydrophobicContact CD2-CB 4.41Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.5Å; F86-N90 HydrophobicContact CE1-CB 4.36Å; F86-N90 HydrophobicContact CE2-CB 3.93Å; F86-N90 VanDerWaalsContact CE2-ND2 3.27Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.31Å; F86-N90 HydrophobicContact CZ-CB 3.9Å; F86-N90 WeakPolarHBondContact O-CB 3.35Å; F86-N90 PolarHBondContact O-N 3.32Å; F86-N90 PolarHBondContact O-ND2 2.93Å; F86-T357 HydrophobicContact CE1-CG2 4.01Å; F86-T360 HydrophobicContact CD1-CG2 4.11Å; F86-T360 HydrophobicContact CD2-CG2 3.87Å; F86-T360 HydrophobicContact CE1-CG2 3.68Å; F86-T360 HydrophobicContact CE2-CG2 3.43Å; F86-T360 VanDerWaalsContact CE2-CG2 3.43Å; F86-T360 HydrophobicContact CG-CG2 4.2Å; F86-T360 HydrophobicContact CZ-CG2 3.33Å; F86-L361 HydrophobicContact CD1-CD2 3.96Å; F86-L361 HydrophobicContact CD1-CG 4.44Å; F86-L361 HydrophobicContact CE1-CD2 4.43Å; F86-L361 HydrophobicContact CE1-CG 4.44Å; F86-Y364 HydrophobicContact CB-CE2 3.98Å; F86-Y364 HydrophobicContact CD1-CE2 4.41Å; F86-Y364 HydrophobicContact CG-CE2 4.06Å
87F93.5Very high91.3Very high18 Ų1841.4 Ų41.48%0.07921%0.207CC..Hα-helixtrans-62.4-47.3178.7-166.2-96.8000111.2M83 Q84 V89 N90 H91 F286 I289 I290 T357 L361M83-F87 WeakPolarHBondContact O-CB 3.44Å; M83-F87 PolarHBondContact O-N 3.32Å; Q84-F87 PolarHBondContact O-N 2.84Å; F87-V89 VanDerWaalsContact C-N 3.26Å; F87-V89 PolarHBondContact O-N 3.22Å; F87-N90 PolarHBondContact O-N 2.88Å; F87-H91 HydrophobicContact CD1-CB 4.23Å; F87-H91 HydrophobicContact CD2-CB 4.01Å; F87-H91 HydrophobicContact CE1-CB 4.17Å; F87-H91 AromaticContact CE1-CD2 3.37Å; F87-H91 WeakPolarHBondContact CE1-CD2 3.42Å; F87-H91 AromaticContact CE1-CG 3.96Å; F87-H91 HydrophobicContact CE2-CB 3.96Å; F87-H91 AromaticContact CE2-CD2 3.79Å; F87-H91 AromaticContact CE2-CG 3.7Å; F87-H91 HydrophobicContact CG-CB 4.18Å; F87-H91 HydrophobicContact CZ-CB 4.05Å; F87-H91 AromaticContact CZ-CD2 3.11Å; F87-H91 WeakPolarHBondContact CZ-CD2 3.39Å; F87-H91 AromaticContact CZ-CG 3.54Å; F87-H91 AromaticContact CZ-NE2 3.45Å; F87-H91 WeakPolarHBondContact CZ-NE2 3.5Å; F87-H91 WeakPolarHBondContact O-CB 3.47Å; F87-H91 PolarHBondContact O-N 3.41Å; F87-F286 HydrophobicContact CB-CD1 4.31Å; F87-F286 HydrophobicContact CB-CD2 4.27Å; F87-F286 HydrophobicContact CB-CE1 3.99Å; F87-F286 HydrophobicContact CB-CE2 3.91Å; F87-F286 HydrophobicContact CB-CG 4.45Å; F87-F286 HydrophobicContact CB-CZ 3.76Å; F87-F286 AromaticContact CD1-CD1 3.4Å; F87-F286 HydrophobicContact CD1-CD1 3.4Å; F87-F286 AromaticContact CD1-CE1 3.27Å; F87-F286 HydrophobicContact CD1-CE1 3.27Å; F87-F286 HydrophobicContact CD1-CG 4.19Å; F87-F286 AromaticContact CD1-CZ 3.95Å; F87-F286 HydrophobicContact CD1-CZ 3.95Å; F87-F286 HydrophobicContact CD2-CB 4.06Å; F87-F286 AromaticContact CD2-CD1 3.88Å; F87-F286 HydrophobicContact CD2-CD1 3.88Å; F87-F286 HydrophobicContact CD2-CD2 4.31Å; F87-F286 HydrophobicContact CD2-CE1 4.37Å; F87-F286 AromaticContact CD2-CG 3.86Å; F87-F286 HydrophobicContact CD2-CG 3.86Å; F87-F286 AromaticContact CE1-CD1 3.48Å; F87-F286 HydrophobicContact CE1-CD1 3.48Å; F87-F286 VanDerWaalsContact CE1-CD1 3.48Å; F87-F286 AromaticContact CE1-CE1 3.74Å; F87-F286 HydrophobicContact CE1-CE1 3.74Å; F87-F286 HydrophobicContact CE1-CG 4.37Å; F87-F286 HydrophobicContact CE2-CB 3.89Å; F87-F286 AromaticContact CE2-CD1 3.95Å; F87-F286 HydrophobicContact CE2-CD1 3.95Å; F87-F286 HydrophobicContact CE2-CG 4.05Å; F87-F286 AromaticContact CG-CD1 3.58Å; F87-F286 HydrophobicContact CG-CD1 3.58Å; F87-F286 HydrophobicContact CG-CD2 4.21Å; F87-F286 AromaticContact CG-CE1 3.62Å; F87-F286 HydrophobicContact CG-CE1 3.62Å; F87-F286 HydrophobicContact CG-CE2 4.21Å; F87-F286 AromaticContact CG-CG 3.9Å; F87-F286 HydrophobicContact CG-CG 3.9Å; F87-F286 AromaticContact CG-CZ 3.93Å; F87-F286 HydrophobicContact CG-CZ 3.93Å; F87-F286 HydrophobicContact CZ-CB 4.29Å; F87-F286 AromaticContact CZ-CD1 3.75Å; F87-F286 HydrophobicContact CZ-CD1 3.75Å; F87-F286 HydrophobicContact CZ-CE1 4.44Å; F87-F286 HydrophobicContact CZ-CG 4.29Å; F87-I289 HydrophobicContact CE1-CD1 4.15Å; F87-I289 HydrophobicContact CZ-CB 4.29Å; F87-I289 HydrophobicContact CZ-CD1 4.21Å; F87-I289 HydrophobicContact CZ-CG2 4.06Å; F87-I290 HydrophobicContact CE2-CD1 4.27Å; F87-I290 HydrophobicContact CE2-CG1 4.28Å; F87-T357 HydrophobicContact CD2-CG2 4.23Å; F87-T357 HydrophobicContact CE2-CG2 4.44Å; F87-L361 HydrophobicContact CB-CD2 4.31Å; F87-L361 HydrophobicContact CD2-CD1 3.95Å; F87-L361 HydrophobicContact CD2-CD2 4.1Å; F87-L361 HydrophobicContact CE2-CD1 4.24Å
88E89.8Confident91.4Very high101 Ų10141.8 Ų41.847%0.47221%0.208SC..Hα-helixtrans-58.2-35.9178.9-174.9175.8-175.200113.2Q84 V85Q84-E88 WeakPolarHBondContact O-CB 3.22Å; Q84-E88 PolarHBondContact O-N 3.12Å; V85-E88 PolarHBondContact O-N 3.36Å
89V87.9Confident91.6Very high82 Ų8245.7 Ų45.750%0.49724%0.235SC..Hα-helixtrans-86.1-35.5-178.11740000113T31 V85 F86 F87T31-V89 HydrophobicContact CG2-CG2 4.09Å; V85-V89 HydrophobicContact CG1-CG2 4.44Å; V85-V89 WeakPolarHBondContact O-CG2 2.97Å; V85-V89 PolarHBondContact O-N 3.15Å; V85-V89 VanDerWaalsContact O-N 3.1Å; F86-V89 PolarHBondContact O-N 2.83Å; F87-V89 VanDerWaalsContact C-N 3.26Å; F87-V89 PolarHBondContact O-N 3.22Å
90N88.3Confident91.7Very high69 Ų6949.1 Ų49.137%0.36925%0.251SS..Hα-helixtrans-107.8-3.6-168.4-60.6-83.6000114.2F86 F87 P92F86-N90 HydrophobicContact CD2-CB 4.41Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.5Å; F86-N90 HydrophobicContact CE1-CB 4.36Å; F86-N90 HydrophobicContact CE2-CB 3.93Å; F86-N90 VanDerWaalsContact CE2-ND2 3.27Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.31Å; F86-N90 HydrophobicContact CZ-CB 3.9Å; F86-N90 WeakPolarHBondContact O-CB 3.35Å; F86-N90 PolarHBondContact O-N 3.32Å; F86-N90 PolarHBondContact O-ND2 2.93Å; F87-N90 PolarHBondContact O-N 2.88Å; N90-P92 WeakPolarHBondContact O-CD 3.35Å
91H89.9Confident91.7Very high26 Ų2652 Ų5212%0.1226%0.264CS..  trans-113.571.9175.4-173.273.7000111.1F87 E293F87-H91 HydrophobicContact CD1-CB 4.23Å; F87-H91 HydrophobicContact CD2-CB 4.01Å; F87-H91 HydrophobicContact CE1-CB 4.17Å; F87-H91 AromaticContact CE1-CD2 3.37Å; F87-H91 WeakPolarHBondContact CE1-CD2 3.42Å; F87-H91 AromaticContact CE1-CG 3.96Å; F87-H91 HydrophobicContact CE2-CB 3.96Å; F87-H91 AromaticContact CE2-CD2 3.79Å; F87-H91 AromaticContact CE2-CG 3.7Å; F87-H91 HydrophobicContact CG-CB 4.18Å; F87-H91 HydrophobicContact CZ-CB 4.05Å; F87-H91 AromaticContact CZ-CD2 3.11Å; F87-H91 WeakPolarHBondContact CZ-CD2 3.39Å; F87-H91 AromaticContact CZ-CG 3.54Å; F87-H91 AromaticContact CZ-NE2 3.45Å; F87-H91 WeakPolarHBondContact CZ-NE2 3.5Å; F87-H91 WeakPolarHBondContact O-CB 3.47Å; F87-H91 PolarHBondContact O-N 3.41Å; H91-E293 IonicContact CE1-OE1 3.27Å; H91-E293 PolarHBondContact CE1-OE1 3.27Å; H91-E293 IonicContact CE1-OE2 3.47Å; H91-E293 PolarHBondContact CE1-OE2 3.13Å; H91-E293 IonicContact NE2-OE1 3.41Å; H91-E293 PolarHBondContact NE2-OE1 3.33Å; H91-E293 IonicContact NE2-OE2 2.64Å
92P83.8Confident91.8Very high41 Ų4155.3 Ų55.327%0.26628%0.279SS..  trans-70.4158.4171.631.4-37.3000111.5N90 F97N90-P92 WeakPolarHBondContact O-CD 3.35Å; P92-F97 HydrophobicContact CB-CB 4.28Å; P92-F97 HydrophobicContact CG-CB 3.73Å; P92-F97 HydrophobicContact CG-CD2 3.96Å; P92-F97 HydrophobicContact CG-CG 4.2Å
93K90.2Very high92Very high117 Ų11760.3 Ų60.351%0.50930%0.297SS..  trans-58.9140.6169.3-65.1178.4-174.1167.30110.1D95 E96 F97K93-D95 VanDerWaalsContact C-N 3.33Å; K93-D95 PolarHBondContact O-N 2.75Å; K93-E96 HydrophobicContact CB-CB 4.44Å; K93-E96 HydrophobicContact CB-CG 4.28Å; K93-E96 PolarHBondContact O-N 3.35Å; K93-F97 PolarHBondContact O-N 3.33Å
94K92.3Very high92.1Very high40 Ų4062.6 Ų62.617%0.17431%0.311CS..Hα-helixtrans-44.5-52.1179.9-176.4173.5173.11730113.7E96 F97 L98 E300 E347 Y350K94-E96 PolarHBondContact O-N 2.92Å; K94-F97 WeakPolarHBondContact O-CB 3.38Å; K94-F97 PolarHBondContact O-N 2.95Å; K94-L98 HydrophobicContact CG-CD1 3.93Å; K94-L98 HydrophobicContact CG-CG 4.45Å; K94-L98 WeakPolarHBondContact O-CG 3.39Å; K94-L98 PolarHBondContact O-N 3.28Å; K94-E300 IonicContact NZ-OE2 2.81Å; K94-E300 PolarHBondContact NZ-OE2 3.49Å; K94-E347 WeakPolarHBondContact CE-OE1 3.33Å; K94-E347 IonicContact NZ-OE1 3.25Å; K94-E347 PolarHBondContact NZ-OE1 2.95Å; K94-E347 IonicContact NZ-OE2 2.67Å; K94-E347 PolarHBondContact NZ-OE2 3.21Å; K94-Y350 HydrophobicContact CB-CD1 4.43Å; K94-Y350 HydrophobicContact CB-CE1 3.96Å; K94-Y350 HydrophobicContact CB-CE2 4Å; K94-Y350 HydrophobicContact CD-CD1 3.82Å; K94-Y350 HydrophobicContact CD-CE1 3.88Å; K94-Y350 HydrophobicContact CD-CG 4.45Å; K94-Y350 HydrophobicContact CG-CD1 3.91Å; K94-Y350 HydrophobicContact CG-CD2 4.26Å; K94-Y350 HydrophobicContact CG-CE1 3.93Å; K94-Y350 HydrophobicContact CG-CE2 4.23Å; K94-Y350 HydrophobicContact CG-CG 4.12Å
95D92.7Very high92Very high133 Ų13365.6 Ų65.671%0.71133%0.327SS*.Hα-helixtrans-64.5-41.1-178.3-66-31.3000113.4K93 F97 S99K93-D95 VanDerWaalsContact C-N 3.33Å; K93-D95 PolarHBondContact O-N 2.75Å; D95-F97 VanDerWaalsContact C-N 3.34Å; D95-S99 VanDerWaalsContact O-CB 3.29Å; D95-S99 WeakPolarHBondContact O-CB 3.17Å; D95-S99 PolarHBondContact O-N 3.23Å
96E92.2Very high92.1Very high97 Ų9767.6 Ų67.645%0.45334%0.336SS..Hα-helixtrans-66.1-41.4178.6-66.4179.2-172.500110.3K93 K94 E100 Q510K93-E96 HydrophobicContact CB-CB 4.44Å; K93-E96 HydrophobicContact CB-CG 4.28Å; K93-E96 PolarHBondContact O-N 3.35Å; K94-E96 PolarHBondContact O-N 2.92Å; E96-E100 PolarHBondContact O-N 3.49Å; E96-E100 VanDerWaalsContact O-N 3.13Å; E96-Q510 PolarHBondContact OE1-NE2 3.37Å
97F93.7Very high92.2Very high42 Ų4273.2 Ų73.218%0.18436%0.361CS..Hα-helixtrans-62.9-51.6175.9174.3-101.5000112.5P92 K93 K94 D95 S99 E100 H101 V349 Y350 V353P92-F97 HydrophobicContact CB-CB 4.28Å; P92-F97 HydrophobicContact CG-CB 3.73Å; P92-F97 HydrophobicContact CG-CD2 3.96Å; P92-F97 HydrophobicContact CG-CG 4.2Å; K93-F97 PolarHBondContact O-N 3.33Å; K94-F97 WeakPolarHBondContact O-CB 3.38Å; K94-F97 PolarHBondContact O-N 2.95Å; D95-F97 VanDerWaalsContact C-N 3.34Å; F97-S99 VanDerWaalsContact C-N 3.31Å; F97-S99 PolarHBondContact O-N 2.86Å; F97-E100 PolarHBondContact O-N 3.37Å; F97-H101 HydrophobicContact CE1-CB 4.43Å; F97-H101 HydrophobicContact CZ-CB 4.42Å; F97-H101 VanDerWaalsContact O-CB 3.32Å; F97-H101 WeakPolarHBondContact O-CB 3.28Å; F97-H101 PolarHBondContact O-N 3.18Å; F97-V349 HydrophobicContact CE1-CG1 3.85Å; F97-V349 HydrophobicContact CZ-CG1 3.94Å; F97-Y350 AromaticContact CD1-CD2 3.86Å; F97-Y350 HydrophobicContact CD1-CD2 3.86Å; F97-Y350 HydrophobicContact CE1-CD2 4.37Å; F97-V353 HydrophobicContact CE1-CG2 3.99Å; F97-V353 HydrophobicContact CE2-CG2 3.8Å; F97-V353 HydrophobicContact CZ-CG2 3.41Å; F97-V353 VanDerWaalsContact CZ-CG2 3.41Å
98L94.5Very high92.2Very high19 Ų1981.7 Ų81.710%0.09939%0.392CS..Hα-helixtrans-62.9-39.8-177.6-70.4176.5000111.4K94 E100 H101 H102 D346K94-L98 HydrophobicContact CG-CD1 3.93Å; K94-L98 HydrophobicContact CG-CG 4.45Å; K94-L98 WeakPolarHBondContact O-CG 3.39Å; K94-L98 PolarHBondContact O-N 3.28Å; L98-E100 PolarHBondContact O-N 3.42Å; L98-H101 WeakPolarHBondContact O-CB 3.39Å; L98-H101 PolarHBondContact O-N 2.75Å; L98-H102 PolarHBondContact O-N 3.41Å; L98-D346 HydrophobicContact CD1-CB 4.1Å; L98-D346 HydrophobicContact CD2-CB 3.78Å
99S94.8Very high92.4Very high83 Ų8377.6 Ų77.658%0.5837%0.374SS*.Hα-helixtrans-60.7-46.3175.1-172.70000112.2D95 F97 R103D95-S99 VanDerWaalsContact O-CB 3.29Å; D95-S99 WeakPolarHBondContact O-CB 3.17Å; D95-S99 PolarHBondContact O-N 3.23Å; F97-S99 VanDerWaalsContact C-N 3.31Å; F97-S99 PolarHBondContact O-N 2.86Å; S99-R103 WeakPolarHBondContact O-CB 3.38Å; S99-R103 PolarHBondContact O-N 2.65Å
100E93.9Very high92.7Very high87 Ų8776 Ų7641%0.40736%0.36SS..Hα-helixtrans-66.7-38.6176-178.857.3-160.500111.9E96 F97 L98 R103 V104E96-E100 PolarHBondContact O-N 3.49Å; E96-E100 VanDerWaalsContact O-N 3.13Å; F97-E100 PolarHBondContact O-N 3.37Å; L98-E100 PolarHBondContact O-N 3.42Å; E100-R103 WeakPolarHBondContact O-CB 3.24Å; E100-R103 PolarHBondContact O-N 3.45Å; E100-R103 IonicContact OE1-CZ 2.99Å; E100-R103 IonicContact OE1-NE 3.94Å; E100-R103 PolarHBondContact OE1-NE 3Å; E100-R103 IonicContact OE1-NH2 3.79Å; E100-R103 PolarHBondContact OE1-NH2 3.47Å; E100-R103 IonicContact OE2-CZ 2.75Å; E100-R103 IonicContact OE2-NE 2.89Å; E100-R103 PolarHBondContact OE2-NE 3.43Å; E100-R103 IonicContact OE2-NH2 2.74Å; E100-R103 PolarHBondContact OE2-NH2 2.88Å; E100-V104 VanDerWaalsContact O-CG2 3.31Å; E100-V104 WeakPolarHBondContact O-CG2 3.27Å; E100-V104 PolarHBondContact O-N 2.94Å; E100-V104 WeakPolarHBondContact OE1-CG2 3.45Å
101H94.1Very high92.9Very high60 Ų6075.8 Ų75.828%0.27836%0.363SS..Hα-helixtrans-59.6-52.2175.7-179.777.7000111.5F97 L98 R103 V104 L105F97-H101 HydrophobicContact CE1-CB 4.43Å; F97-H101 HydrophobicContact CZ-CB 4.42Å; F97-H101 VanDerWaalsContact O-CB 3.32Å; F97-H101 WeakPolarHBondContact O-CB 3.28Å; F97-H101 PolarHBondContact O-N 3.18Å; L98-H101 WeakPolarHBondContact O-CB 3.39Å; L98-H101 PolarHBondContact O-N 2.75Å; H101-R103 VanDerWaalsContact C-N 3.3Å; H101-R103 PolarHBondContact O-N 3.42Å; H101-V104 PolarHBondContact O-N 3.35Å; H101-L105 WeakPolarHBondContact O-CB 3.36Å; H101-L105 PolarHBondContact O-N 3.01Å
102H94.3Very high93Very high70 Ų7076.2 Ų76.232%0.32437%0.367SS..Hα-helixtrans-60.8-39.8176.4-67.8158.7000111.7L98 V104 L105 E106 D346L98-H102 PolarHBondContact O-N 3.41Å; H102-V104 PolarHBondContact O-N 3.45Å; H102-L105 PolarHBondContact O-N 3.21Å; H102-E106 WeakPolarHBondContact O-CB 3.25Å; H102-E106 WeakPolarHBondContact O-CG 3.26Å; H102-E106 PolarHBondContact O-N 3.3Å; H102-D346 IonicContact CD2-OD1 2.7Å; H102-D346 IonicContact CE1-OD1 3.34Å; H102-D346 PolarHBondContact CE1-OD1 2.88Å; H102-D346 IonicContact CE1-OD2 3.3Å; H102-D346 PolarHBondContact CE1-OD2 2.98Å; H102-D346 VanDerWaalsContact CE1-OD2 3.29Å; H102-D346 IonicContact NE2-OD1 3.66Å; H102-D346 PolarHBondContact NE2-OD1 3.41Å; H102-D346 IonicContact NE2-OD2 2.83Å; H102-D346 PolarHBondContact NE2-OD2 3.27Å
103R96Very high93.4Very high135 Ų13574.4 Ų74.451%0.50936%0.356SS..Hα-helixtrans-61.9-43.6176.5-168.7-170.874.786.1-1.4112.1S99 E100 H101 K107S99-R103 WeakPolarHBondContact O-CB 3.38Å; S99-R103 PolarHBondContact O-N 2.65Å; E100-R103 WeakPolarHBondContact O-CB 3.24Å; E100-R103 PolarHBondContact O-N 3.45Å; E100-R103 IonicContact OE1-CZ 2.99Å; E100-R103 IonicContact OE1-NE 3.94Å; E100-R103 PolarHBondContact OE1-NE 3Å; E100-R103 IonicContact OE1-NH2 3.79Å; E100-R103 PolarHBondContact OE1-NH2 3.47Å; E100-R103 IonicContact OE2-CZ 2.75Å; E100-R103 IonicContact OE2-NE 2.89Å; E100-R103 PolarHBondContact OE2-NE 3.43Å; E100-R103 IonicContact OE2-NH2 2.74Å; E100-R103 PolarHBondContact OE2-NH2 2.88Å; H101-R103 VanDerWaalsContact C-N 3.3Å; H101-R103 PolarHBondContact O-N 3.42Å; R103-K107 WeakPolarHBondContact O-CB 3.24Å; R103-K107 PolarHBondContact O-N 2.88Å
104V94.9Very high93.5Very high48 Ų4873.8 Ų73.829%0.29135%0.35SS..Hα-helixtrans-67.2-41.5177.2171.40000110.8E100 H101 H102 K107 R108E100-V104 VanDerWaalsContact O-CG2 3.31Å; E100-V104 WeakPolarHBondContact O-CG2 3.27Å; E100-V104 PolarHBondContact O-N 2.94Å; E100-V104 WeakPolarHBondContact OE1-CG2 3.45Å; H101-V104 PolarHBondContact O-N 3.35Å; H102-V104 PolarHBondContact O-N 3.45Å; V104-K107 PolarHBondContact O-N 2.9Å; V104-R108 WeakPolarHBondContact O-CG 3.44Å; V104-R108 PolarHBondContact O-N 3.49Å
105L92.2Very high93.5Very high71 Ų7177.6 Ų77.637%0.37237%0.368SS..Hα-helixtrans-62-50.5177.2-175.765000111.3H101 H102 K107 R108 L109H101-L105 WeakPolarHBondContact O-CB 3.36Å; H101-L105 PolarHBondContact O-N 3.01Å; H102-L105 PolarHBondContact O-N 3.21Å; L105-K107 VanDerWaalsContact C-N 3.3Å; L105-K107 PolarHBondContact O-N 3.08Å; L105-R108 WeakPolarHBondContact O-CB 3.45Å; L105-R108 PolarHBondContact O-N 3.24Å; L105-L109 HydrophobicContact CD1-CD1 4.23Å; L105-L109 HydrophobicContact CD1-CG 4.47Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.34Å; L105-L109 PolarHBondContact O-N 3.33Å
106E92.5Very high93.3Very high48 Ų4871.3 Ų71.322%0.22434%0.335CS..Hα-helixtrans-58.6-41.7176.2-74.7-73.7156.900111.2H102 R108 L109 E110 R141 Y185H102-E106 WeakPolarHBondContact O-CB 3.25Å; H102-E106 WeakPolarHBondContact O-CG 3.26Å; H102-E106 PolarHBondContact O-N 3.3Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 2.87Å; E106-L109 PolarHBondContact O-N 2.9Å; E106-E110 PolarHBondContact O-N 2.98Å; E106-R141 IonicContact OE1-CZ 3.45Å; E106-R141 VanDerWaalsContact OE1-CZ 3.3Å; E106-R141 IonicContact OE1-NE 3.33Å; E106-R141 PolarHBondContact OE1-NE 3.01Å; E106-R141 IonicContact OE1-NH2 2.72Å; E106-R141 PolarHBondContact OE1-NH2 3.08Å; E106-Y185 PolarHBondContact OE2-OH 3.16Å
107K95.2Very high93.3Very high151 Ų15167.4 Ų67.466%0.65732%0.317SS*.Hα-helixtrans-62.5-37.1175.5-174.7178.4178.5-176.80112.7R103 V104 L105R103-K107 WeakPolarHBondContact O-CB 3.24Å; R103-K107 PolarHBondContact O-N 2.88Å; V104-K107 PolarHBondContact O-N 2.9Å; L105-K107 VanDerWaalsContact C-N 3.3Å; L105-K107 PolarHBondContact O-N 3.08Å
108R93.9Very high93.1Very high195 Ų19571.8 Ų71.874%0.73634%0.338SS*.Hα-helixtrans-72.3-31.8176.7-74.4177.3177.7-1701.3112.3V104 L105 E106 P111V104-R108 WeakPolarHBondContact O-CG 3.44Å; V104-R108 PolarHBondContact O-N 3.49Å; L105-R108 WeakPolarHBondContact O-CB 3.45Å; L105-R108 PolarHBondContact O-N 3.24Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 2.87Å; R108-P111 VanDerWaalsContact O-CD 3.32Å; R108-P111 WeakPolarHBondContact O-CD 3.33Å
109L92.8Very high92.7Very high16 Ų1671.7 Ų71.78%0.08434%0.339CS..Hα-helixtrans-82.2-19.9178.6-67.2172.3000113.4L105 E106 P111 V112 L113 L140 R141L105-L109 HydrophobicContact CD1-CD1 4.23Å; L105-L109 HydrophobicContact CD1-CG 4.47Å; L105-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 VanDerWaalsContact O-CG 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.34Å; L105-L109 PolarHBondContact O-N 3.33Å; E106-L109 PolarHBondContact O-N 2.9Å; L109-P111 VanDerWaalsContact C-CD 3.41Å; L109-V112 PolarHBondContact O-N 2.83Å; L109-L113 HydrophobicContact CB-CD1 4.31Å; L109-L113 PolarHBondContact O-N 3.4Å; L109-L140 HydrophobicContact CD2-CB 3.75Å; L109-R141 HydrophobicContact CD1-CB 3.98Å; L109-R141 HydrophobicContact CD1-CG 3.91Å
110E94.4Very high92.1Very high47 Ų4778.7 Ų78.722%0.2235%0.353CS..Hα-helixtrans-50.7-41.2-178.1-176.860-155.900115E106 V112 L113 R114 R181E106-E110 PolarHBondContact O-N 2.98Å; E110-V112 PolarHBondContact O-N 3.22Å; E110-L113 PolarHBondContact O-N 2.87Å; E110-R114 VanDerWaalsContact O-CB 3.22Å; E110-R114 WeakPolarHBondContact O-CB 3.35Å; E110-R114 PolarHBondContact O-N 3.24Å; E110-R181 VanDerWaalsContact CD-NH2 3.27Å; E110-R181 IonicContact OE1-CZ 3.69Å; E110-R181 IonicContact OE1-NH1 2.76Å; E110-R181 IonicContact OE1-NH2 2.71Å; E110-R181 PolarHBondContact OE1-NH2 3.31Å; E110-R181 IonicContact OE2-CZ 3.62Å; E110-R181 IonicContact OE2-NH1 2.79Å; E110-R181 PolarHBondContact OE2-NH1 2.64Å; E110-R181 IonicContact OE2-NH2 2.88Å; E110-R181 PolarHBondContact OE2-NH2 3.27Å
111P93.5Very high91.5Very high65 Ų6575.2 Ų75.242%0.42234%0.339SS..Hα-helixtrans-59.4-42.2176.5-23.535.2000113.6R108 L109 R114 E115R108-P111 VanDerWaalsContact O-CD 3.32Å; R108-P111 WeakPolarHBondContact O-CD 3.33Å; L109-P111 VanDerWaalsContact C-CD 3.41Å; P111-R114 PolarHBondContact O-N 3.47Å; P111-E115 PolarHBondContact O-N 2.73Å; P111-E115 VanDerWaalsContact O-N 3.13Å
112V91.2Very high90.9Very high35 Ų3581.5 Ų81.521%0.21237%0.365CS..Hα-helixtrans-72.7-40.7-179.4-175.40000110.7L109 E110 R114 E115 A116 A137 L140L109-V112 PolarHBondContact O-N 2.83Å; E110-V112 PolarHBondContact O-N 3.22Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 2.93Å; V112-E115 PolarHBondContact O-N 3.22Å; V112-A116 PolarHBondContact O-N 3.37Å; V112-A137 HydrophobicContact CG1-CB 4.03Å; V112-L140 HydrophobicContact CB-CD1 4.49Å; V112-L140 HydrophobicContact CG1-CD1 4.11Å; V112-L140 HydrophobicContact CG2-CD1 3.98Å
113L91.9Very high90.5Very high4 Ų483.4 Ų83.42%0.02138%0.377CS..Hα-helixtrans-61.1-41.8174.2-70.5170.2000111.3L109 E110 A116 I117 A137 L184 Y185L109-L113 HydrophobicContact CB-CD1 4.31Å; L109-L113 PolarHBondContact O-N 3.4Å; E110-L113 PolarHBondContact O-N 2.87Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-I117 HydrophobicContact CB-CD1 4.48Å; L113-I117 WeakPolarHBondContact O-CB 3.43Å; L113-I117 WeakPolarHBondContact O-CD1 3.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.43Å; L113-I117 PolarHBondContact O-N 3.42Å; L113-A137 HydrophobicContact CD2-CB 4.12Å; L113-L184 HydrophobicContact CD2-CB 4.46Å; L113-L184 HydrophobicContact CD2-CD1 3.99Å; L113-Y185 HydrophobicContact CD1-CE1 4.47Å
114R92.8Very high89.9Confident103 Ų10386 Ų8639%0.38939%0.387SS..Hα-helixtrans-63.6-41.3178.2178.116939.9-130.2-12.6112.3E110 P111 V112 A116 I117 E118E110-R114 VanDerWaalsContact O-CB 3.22Å; E110-R114 WeakPolarHBondContact O-CB 3.35Å; E110-R114 PolarHBondContact O-N 3.24Å; P111-R114 PolarHBondContact O-N 3.47Å; V112-R114 VanDerWaalsContact C-N 3.3Å; V112-R114 PolarHBondContact O-N 2.93Å; R114-A116 VanDerWaalsContact C-N 3.3Å; R114-A116 PolarHBondContact O-N 3Å; R114-I117 PolarHBondContact O-N 3.19Å; R114-E118 VanDerWaalsContact CD-OE1 3.28Å; R114-E118 WeakPolarHBondContact CD-OE1 3.48Å; R114-E118 HydrophobicContact CG-CG 3.85Å; R114-E118 VanDerWaalsContact CG-OE1 3.31Å; R114-E118 WeakPolarHBondContact CG-OE1 3.31Å; R114-E118 WeakPolarHBondContact CG-OE2 3.42Å; R114-E118 VanDerWaalsContact O-CB 3.32Å; R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 PolarHBondContact O-N 3.41Å
115E91.2Very high89.4Confident121 Ų12190.8 Ų90.857%0.56541%0.406SS*.Hα-helixtrans-57-42.9174-94.8-177.1160.500112.4P111 V112 S119P111-E115 PolarHBondContact O-N 2.73Å; P111-E115 VanDerWaalsContact O-N 3.13Å; V112-E115 PolarHBondContact O-N 3.22Å; E115-S119 WeakPolarHBondContact O-CB 3.48Å; E115-S119 PolarHBondContact O-N 3.1Å
116A89.1Confident89.1Confident0 Ų091 Ų910%041%0.405CS..Hα-helixtrans-67.2-43.1175.900000112V112 L113 R114 S119 N133 I134 L184V112-A116 PolarHBondContact O-N 3.37Å; L113-A116 PolarHBondContact O-N 2.94Å; R114-A116 VanDerWaalsContact C-N 3.3Å; R114-A116 PolarHBondContact O-N 3Å; A116-S119 PolarHBondContact O-OG 3.4Å; A116-N133 HydrophobicContact CB-CB 4.44Å; A116-I134 HydrophobicContact CB-CG1 4.22Å; A116-L184 HydrophobicContact CB-CD1 4.08Å
117I91.7Very high88.8Confident15 Ų1591.1 Ų91.18%0.07741%0.407CS..Hα-helixtrans-69.9-44.3-176.7-68.7165.3000112.3L113 R114 S119 A177 K180 R181 L184L113-I117 HydrophobicContact CB-CD1 4.48Å; L113-I117 WeakPolarHBondContact O-CB 3.43Å; L113-I117 WeakPolarHBondContact O-CD1 3.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.43Å; L113-I117 PolarHBondContact O-N 3.42Å; R114-I117 PolarHBondContact O-N 3.19Å; I117-S119 VanDerWaalsContact C-N 3.3Å; I117-A177 HydrophobicContact CG2-CB 3.86Å; I117-K180 HydrophobicContact CG1-CB 4.17Å; I117-K180 HydrophobicContact CG2-CB 4.37Å; I117-K180 HydrophobicContact CG2-CD 4.26Å; I117-K180 VanDerWaalsContact O-CD 3.28Å; I117-K180 WeakPolarHBondContact O-CD 3.37Å; I117-K180 PolarHBondContact O-NZ 3.17Å; I117-R181 HydrophobicContact CD1-CB 3.96Å; I117-R181 HydrophobicContact CD1-CG 4.41Å; I117-L184 HydrophobicContact CD1-CD1 4.23Å; I117-L184 HydrophobicContact CG1-CD1 3.78Å
118E89.9Confident88.5Confident134 Ų13488.6 Ų88.663%0.62640%0.397SS*.Hα-helixtrans-83.9-6.4-175.8-67.2-177.6176.800113.2R114 R120R114-E118 VanDerWaalsContact CD-OE1 3.28Å; R114-E118 WeakPolarHBondContact CD-OE1 3.48Å; R114-E118 HydrophobicContact CG-CG 3.85Å; R114-E118 VanDerWaalsContact CG-OE1 3.31Å; R114-E118 WeakPolarHBondContact CG-OE1 3.31Å; R114-E118 WeakPolarHBondContact CG-OE2 3.42Å; R114-E118 VanDerWaalsContact O-CB 3.32Å; R114-E118 WeakPolarHBondContact O-CB 3.43Å; R114-E118 PolarHBondContact O-N 3.41Å; E118-R120 PolarHBondContact O-N 3.3Å
119S86.7Confident88.3Confident17 Ų1781.7 Ų81.712%0.11938%0.382CS..  trans-55.3132176.169.60000112E115 A116 I117 T130 L173E115-S119 WeakPolarHBondContact O-CB 3.48Å; E115-S119 PolarHBondContact O-N 3.1Å; A116-S119 PolarHBondContact O-OG 3.4Å; I117-S119 VanDerWaalsContact C-N 3.3Å; S119-T130 VanDerWaalsContact CB-OG1 3.28Å; S119-T130 WeakPolarHBondContact CB-OG1 3.34Å; S119-T130 WeakPolarHBondContact OG-CG2 3.41Å; S119-T130 PolarHBondContact OG-OG1 3.18Å; S119-L173 WeakPolarHBondContact O-CD2 3.41Å
120R82.8Confident88.1Confident231 Ų23181.2 Ų81.287%0.87238%0.38SS*.  trans-125.963.3179.3-67-174.5-177.7-172.71.7110.1E118E118-R120 PolarHBondContact O-N 3.3Å
121A81.1Confident88Confident14 Ų1479 Ų7912%0.11637%0.37CS..  trans-75.8133.5179.800000112E126 L127 L173A121-E126 HydrophobicContact CB-CB 3.49Å; A121-E126 VanDerWaalsContact CB-CB 3.49Å; A121-E126 WeakPolarHBondContact CB-O 3.42Å; A121-L127 HydrophobicContact CB-CD2 3.68Å; A121-L127 HydrophobicContact CB-CG 4.23Å; A121-L173 HydrophobicContact CB-CD1 4.04Å
122K81.4Confident87.8Confident191 Ų19180 Ų8083%0.8337%0.369SS*.  trans-123.1-35.1173.5-65.9-177.4-179.41790111.8E126K122-E126 PolarHBondContact N-OE2 3.36Å
123L84.8Confident87.9Confident110 Ų11080.9 Ų80.958%0.57637%0.372SS*.SBendtrans-86.3154.9177.9-61.7173.5000110.9E125 E126 L127L123-E125 VanDerWaalsContact C-N 3.31Å; L123-E125 PolarHBondContact O-N 3.17Å; L123-E126 HydrophobicContact CB-CB 4.46Å; L123-E126 HydrophobicContact CB-CG 4.03Å; L123-E126 PolarHBondContact N-OE2 2.94Å; L123-E126 WeakPolarHBondContact O-CB 3.48Å; L123-E126 PolarHBondContact O-N 2.96Å; L123-E126 VanDerWaalsContact O-N 3.08Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 3.47Å
124R83.1Confident87.9Confident191 Ų19180.7 Ų80.772%0.72137%0.371SS*.Hα-helixtrans-56.5-43.4179.5-174178.966.2-175.7-0.5112.6E126 L127 E128R124-E126 VanDerWaalsContact C-N 3.31Å; R124-E126 PolarHBondContact O-N 3.31Å; R124-L127 WeakPolarHBondContact O-CB 3.33Å; R124-L127 PolarHBondContact O-N 3.49Å; R124-E128 PolarHBondContact O-N 2.95Å
125E84.5Confident87.9Confident147 Ų14775.9 Ų75.969%0.68735%0.353SS*.Hα-helixtrans-63.4-36.8177.8-65.5173.6-174.100111.9L123 E128 A129L123-E125 VanDerWaalsContact C-N 3.31Å; L123-E125 PolarHBondContact O-N 3.17Å; E125-E128 PolarHBondContact O-N 2.85Å; E125-A129 WeakPolarHBondContact O-CB 3.38Å; E125-A129 PolarHBondContact O-N 3.31Å
126E86.4Confident88Confident76 Ų7672.3 Ų72.336%0.35534%0.341SS..Hα-helixtrans-69.5-35.5175.8-61.5171.4165.100111.5A121 K122 L123 R124 A129 T130A121-E126 HydrophobicContact CB-CB 3.49Å; A121-E126 VanDerWaalsContact CB-CB 3.49Å; A121-E126 WeakPolarHBondContact CB-O 3.42Å; K122-E126 PolarHBondContact N-OE2 3.36Å; L123-E126 HydrophobicContact CB-CB 4.46Å; L123-E126 HydrophobicContact CB-CG 4.03Å; L123-E126 PolarHBondContact N-OE2 2.94Å; L123-E126 WeakPolarHBondContact O-CB 3.48Å; L123-E126 PolarHBondContact O-N 2.96Å; L123-E126 VanDerWaalsContact O-N 3.08Å; R124-E126 VanDerWaalsContact C-N 3.31Å; R124-E126 PolarHBondContact O-N 3.31Å; E126-A129 PolarHBondContact O-N 3.02Å; E126-T130 PolarHBondContact O-N 3.16Å; E126-T130 PolarHBondContact O-OG1 3.06Å
127L87.2Confident88.1Confident50 Ų5072.4 Ų72.426%0.26234%0.343SS..Hα-helixtrans-64.6-43.7175.3-65175.6000110.7A121 L123 R124 T130 Y131 I169 L173A121-L127 HydrophobicContact CB-CD2 3.68Å; A121-L127 HydrophobicContact CB-CG 4.23Å; L123-L127 WeakPolarHBondContact O-CG 3.32Å; L123-L127 PolarHBondContact O-N 3.47Å; R124-L127 WeakPolarHBondContact O-CB 3.33Å; R124-L127 PolarHBondContact O-N 3.49Å; L127-T130 PolarHBondContact O-N 2.78Å; L127-Y131 PolarHBondContact O-N 2.89Å; L127-I169 HydrophobicContact CB-CD1 4.22Å; L127-I169 HydrophobicContact CB-CG2 4.34Å; L127-I169 HydrophobicContact CD1-CG2 4.36Å; L127-I169 HydrophobicContact CD2-CD1 4.43Å; L127-I169 HydrophobicContact CD2-CG2 3.92Å; L127-I169 HydrophobicContact CG-CG2 4.44Å; L127-I169 WeakPolarHBondContact O-CD1 3.48Å; L127-L173 HydrophobicContact CD2-CD1 3.37Å
128E88Confident88.2Confident98 Ų9871.8 Ų71.846%0.45834%0.339SS..Hα-helixtrans-61.6-43.8175.2-71.2171.6-162.200111.3R124 E125 Y131 Q132R124-E128 PolarHBondContact O-N 2.95Å; E125-E128 PolarHBondContact O-N 2.85Å; E128-Y131 WeakPolarHBondContact O-CB 3.45Å; E128-Y131 PolarHBondContact O-N 3.49Å; E128-Q132 WeakPolarHBondContact O-CG 3.12Å; E128-Q132 PolarHBondContact O-N 3.22Å
129A88.8Confident88.3Confident50 Ų5065.6 Ų65.641%0.41331%0.311SS..Hα-helixtrans-62-43.8175.400000112.4E125 E126 Y131 Q132 N133E125-A129 WeakPolarHBondContact O-CB 3.38Å; E125-A129 PolarHBondContact O-N 3.31Å; E126-A129 PolarHBondContact O-N 3.02Å; A129-Y131 VanDerWaalsContact C-N 3.29Å; A129-Y131 PolarHBondContact O-N 3.38Å; A129-Q132 PolarHBondContact O-N 3.2Å; A129-N133 PolarHBondContact O-N 2.73Å; A129-N133 PolarHBondContact O-OD1 3.48Å
130T89.5Confident88.6Confident6 Ų668.1 Ų68.14%0.03732%0.322CS..Hα-helixtrans-58.8-42.4173.3-70.20000111.3S119 E126 L127 Q132 N133 I134 I169 L173S119-T130 VanDerWaalsContact CB-OG1 3.28Å; S119-T130 WeakPolarHBondContact CB-OG1 3.34Å; S119-T130 WeakPolarHBondContact OG-CG2 3.41Å; S119-T130 PolarHBondContact OG-OG1 3.18Å; E126-T130 PolarHBondContact O-N 3.16Å; E126-T130 PolarHBondContact O-OG1 3.06Å; L127-T130 PolarHBondContact O-N 2.78Å; T130-Q132 VanDerWaalsContact C-N 3.33Å; T130-Q132 PolarHBondContact O-N 3.47Å; T130-N133 WeakPolarHBondContact O-CB 3.45Å; T130-N133 PolarHBondContact O-N 3.31Å; T130-I134 HydrophobicContact CG2-CD1 4.1Å; T130-I134 WeakPolarHBondContact O-CG1 3.45Å; T130-I134 PolarHBondContact O-N 3.39Å; T130-I169 HydrophobicContact CG2-CD1 3.96Å; T130-I169 HydrophobicContact CG2-CG1 4.41Å; T130-L173 HydrophobicContact CG2-CD2 4.25Å
131Y92Very high89Confident1 Ų160.8 Ų60.80%0.00430%0.295CS..Hα-helixtrans-63.2-40.1178.5-159.3-95.6000111.7L127 E128 A129 N133 I134 I135 L160 Q161 F164 Q166 I169L127-Y131 PolarHBondContact O-N 2.89Å; E128-Y131 WeakPolarHBondContact O-CB 3.45Å; E128-Y131 PolarHBondContact O-N 3.49Å; A129-Y131 VanDerWaalsContact C-N 3.29Å; A129-Y131 PolarHBondContact O-N 3.38Å; Y131-N133 VanDerWaalsContact C-N 3.35Å; Y131-I134 WeakPolarHBondContact O-CB 3.41Å; Y131-I134 PolarHBondContact O-N 2.91Å; Y131-I135 HydrophobicContact CD1-CD1 3.53Å; Y131-I135 HydrophobicContact CD1-CG1 4.16Å; Y131-I135 HydrophobicContact CE1-CD1 3.69Å; Y131-I135 HydrophobicContact CE1-CG1 4.14Å; Y131-I135 WeakPolarHBondContact O-CG1 3.27Å; Y131-I135 PolarHBondContact O-N 2.96Å; Y131-L160 HydrophobicContact CE1-CD2 4.08Å; Y131-L160 HydrophobicContact CE2-CD2 4.3Å; Y131-Q161 HydrophobicContact CE1-CG 4.19Å; Y131-Q161 WeakPolarHBondContact OH-CG 3.37Å; Y131-Q161 PolarHBondContact OH-N 3.28Å; Y131-F164 HydrophobicContact CD2-CE1 4.34Å; Y131-F164 AromaticContact CE2-CD1 3.8Å; Y131-F164 HydrophobicContact CE2-CD1 3.8Å; Y131-F164 HydrophobicContact CE2-CE1 4Å; Y131-F164 PolarHBondContact OH-O 3.42Å; Y131-Q166 HydrophobicContact CD1-CG 4.03Å; Y131-Q166 HydrophobicContact CD2-CG 3.94Å; Y131-Q166 HydrophobicContact CE1-CG 3.91Å; Y131-Q166 HydrophobicContact CE2-CG 3.81Å; Y131-Q166 HydrophobicContact CG-CG 4.05Å; Y131-I169 HydrophobicContact CD2-CD1 4.26Å
132Q90.5Very high89.5Confident87 Ų8760.4 Ų60.441%0.40729%0.291SS..Hα-helixtrans-64.2-37.3173.6-67.1-57-35.100112.8E128 A129 T130 I134 I135 S136E128-Q132 WeakPolarHBondContact O-CG 3.12Å; E128-Q132 PolarHBondContact O-N 3.22Å; A129-Q132 PolarHBondContact O-N 3.2Å; T130-Q132 VanDerWaalsContact C-N 3.33Å; T130-Q132 PolarHBondContact O-N 3.47Å; Q132-I134 VanDerWaalsContact C-N 3.34Å; Q132-I135 PolarHBondContact O-N 3Å; Q132-S136 WeakPolarHBondContact O-CB 3.4Å; Q132-S136 PolarHBondContact O-N 3.27Å; Q132-S136 PolarHBondContact O-OG 3.38Å
133N91.5Very high89.9Confident52 Ų5253.7 Ų53.728%0.27828%0.276SS..Hα-helixtrans-65-38.6173.8-68.3-8.1000111.5A116 A129 T130 Y131 S136 A137A116-N133 HydrophobicContact CB-CB 4.44Å; A129-N133 PolarHBondContact O-N 2.73Å; A129-N133 PolarHBondContact O-OD1 3.48Å; T130-N133 WeakPolarHBondContact O-CB 3.45Å; T130-N133 PolarHBondContact O-N 3.31Å; Y131-N133 VanDerWaalsContact C-N 3.35Å; N133-S136 PolarHBondContact O-N 3.44Å; N133-A137 WeakPolarHBondContact O-CB 3.23Å; N133-A137 PolarHBondContact O-N 2.93Å
134I93.4Very high90Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-62.9-47.3173.9-65.6167.7000110.6A116 T130 Y131 Q132 S136 A137 V138 L160 F164 F172 L184 F187A116-I134 HydrophobicContact CB-CG1 4.22Å; T130-I134 HydrophobicContact CG2-CD1 4.1Å; T130-I134 WeakPolarHBondContact O-CG1 3.45Å; T130-I134 PolarHBondContact O-N 3.39Å; Y131-I134 WeakPolarHBondContact O-CB 3.41Å; Y131-I134 PolarHBondContact O-N 2.91Å; Q132-I134 VanDerWaalsContact C-N 3.34Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.24Å; I134-A137 PolarHBondContact O-N 3.45Å; I134-V138 HydrophobicContact CG2-CG2 4.37Å; I134-V138 WeakPolarHBondContact O-CB 3.47Å; I134-V138 WeakPolarHBondContact O-CG2 3.43Å; I134-V138 PolarHBondContact O-N 3.27Å; I134-L160 HydrophobicContact CG2-CD2 3.82Å; I134-F164 HydrophobicContact CD1-CE1 4.3Å; I134-F172 HydrophobicContact CD1-CD1 3.98Å; I134-F172 HydrophobicContact CD1-CE1 3.84Å; I134-F172 HydrophobicContact CD1-CG 4.46Å; I134-F172 HydrophobicContact CD1-CZ 4.21Å; I134-F172 HydrophobicContact CG1-CE1 4.33Å; I134-F172 HydrophobicContact CG1-CZ 4.43Å; I134-L184 HydrophobicContact CB-CD2 4.4Å; I134-L184 HydrophobicContact CG1-CD2 4.19Å; I134-L184 HydrophobicContact CG2-CD2 3.81Å; I134-F187 HydrophobicContact CG2-CD2 4.36Å
135I92.8Very high90.2Very high2 Ų240.6 Ų40.61%0.0123%0.226CC..Hα-helixtrans-58.5-46.4177.2-67.2158.9000110.6Y131 Q132 A137 V138 L139 I153 T157 L160Y131-I135 HydrophobicContact CD1-CD1 3.53Å; Y131-I135 HydrophobicContact CD1-CG1 4.16Å; Y131-I135 HydrophobicContact CE1-CD1 3.69Å; Y131-I135 HydrophobicContact CE1-CG1 4.14Å; Y131-I135 WeakPolarHBondContact O-CG1 3.27Å; Y131-I135 PolarHBondContact O-N 2.96Å; Q132-I135 PolarHBondContact O-N 3Å; I135-A137 PolarHBondContact O-N 2.86Å; I135-V138 PolarHBondContact O-N 2.8Å; I135-L139 HydrophobicContact CG2-CD1 3.82Å; I135-L139 HydrophobicContact CG2-CG 4.35Å; I135-L139 WeakPolarHBondContact O-CB 3.41Å; I135-L139 WeakPolarHBondContact O-CG 3.29Å; I135-L139 PolarHBondContact O-N 3.05Å; I135-I153 HydrophobicContact CG2-CG2 4.43Å; I135-T157 HydrophobicContact CD1-CG2 3.97Å; I135-T157 WeakPolarHBondContact CD1-OG1 3.49Å; I135-L160 HydrophobicContact CG1-CD2 3.7Å
136S91.8Very high90.3Very high46 Ų4636.1 Ų36.132%0.32221%0.211SC..Hα-helixtrans-62.2-43.6179.9-59.10000111.8Q132 N133 I134 L139 L140Q132-S136 WeakPolarHBondContact O-CB 3.4Å; Q132-S136 PolarHBondContact O-N 3.27Å; Q132-S136 PolarHBondContact O-OG 3.38Å; N133-S136 PolarHBondContact O-N 3.44Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.24Å; S136-L139 PolarHBondContact O-N 2.99Å; S136-L140 VanDerWaalsContact O-CB 3.31Å; S136-L140 WeakPolarHBondContact O-CB 3.46Å; S136-L140 WeakPolarHBondContact O-CG 3.32Å; S136-L140 PolarHBondContact O-N 3.36Å
137A92.6Very high90.1Very high3 Ų335 Ų353%0.02521%0.211CC..Hα-helixtrans-62.5-45.5175.900000112.2V112 L113 N133 I134 I135 R141V112-A137 HydrophobicContact CG1-CB 4.03Å; L113-A137 HydrophobicContact CD2-CB 4.12Å; N133-A137 WeakPolarHBondContact O-CB 3.23Å; N133-A137 PolarHBondContact O-N 2.93Å; I134-A137 PolarHBondContact O-N 3.45Å; I135-A137 PolarHBondContact O-N 2.86Å; A137-R141 VanDerWaalsContact O-CB 3.29Å; A137-R141 WeakPolarHBondContact O-CB 3.31Å; A137-R141 PolarHBondContact O-N 3.45Å
138V93.8Very high90.1Very high2 Ų238.6 Ų38.61%0.01224%0.235CC..Hα-helixtrans-63.4-44.6178.2163.70000111.3I134 I135 S142 F187 V191I134-V138 HydrophobicContact CG2-CG2 4.37Å; I134-V138 WeakPolarHBondContact O-CB 3.47Å; I134-V138 WeakPolarHBondContact O-CG2 3.43Å; I134-V138 PolarHBondContact O-N 3.27Å; I135-V138 PolarHBondContact O-N 2.8Å; V138-S142 WeakPolarHBondContact O-CB 3.46Å; V138-S142 PolarHBondContact O-N 3.5Å; V138-F187 HydrophobicContact CG2-CB 3.98Å; V138-V191 HydrophobicContact CG1-CB 3.75Å; V138-V191 HydrophobicContact CG1-CG1 3.8Å; V138-V191 HydrophobicContact CG1-CG2 3.98Å
139L92.6Very high90.1Very high4 Ų436.7 Ų36.72%0.02123%0.228CC..Hα-helixtrans-63.9-50.5178.3-83.5174.2000112.4I135 S136 R141 S142 G143 V152 I153 A156I135-L139 HydrophobicContact CG2-CD1 3.82Å; I135-L139 HydrophobicContact CG2-CG 4.35Å; I135-L139 WeakPolarHBondContact O-CB 3.41Å; I135-L139 WeakPolarHBondContact O-CG 3.29Å; I135-L139 PolarHBondContact O-N 3.05Å; S136-L139 PolarHBondContact O-N 2.99Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 2.96Å; L139-S142 PolarHBondContact O-N 3.38Å; L139-G143 PolarHBondContact O-N 3.29Å; L139-G143 VanDerWaalsContact O-N 3.12Å; L139-V152 HydrophobicContact CD1-CG1 4.45Å; L139-V152 HydrophobicContact CD2-CG1 3.61Å; L139-I153 HydrophobicContact CD1-CG1 4.13Å; L139-A156 HydrophobicContact CD1-CB 4.01Å; L139-A156 HydrophobicContact CD2-CB 3.33Å; L139-A156 HydrophobicContact CG-CB 3.66Å
140L92.2Very high90.2Very high69 Ų6941.7 Ų41.736%0.36125%0.245SC..Hα-helixtrans-62.8-36.2-179.2-78.3171.6000112.2L109 V112 S136 P147L109-L140 HydrophobicContact CD2-CB 3.75Å; V112-L140 HydrophobicContact CB-CD1 4.49Å; V112-L140 HydrophobicContact CG1-CD1 4.11Å; V112-L140 HydrophobicContact CG2-CD1 3.98Å; S136-L140 VanDerWaalsContact O-CB 3.31Å; S136-L140 WeakPolarHBondContact O-CB 3.46Å; S136-L140 WeakPolarHBondContact O-CG 3.32Å; S136-L140 PolarHBondContact O-N 3.36Å; L140-P147 HydrophobicContact CD2-CB 4.37Å; L140-P147 HydrophobicContact CD2-CG 3.78Å; L140-P147 HydrophobicContact CG-CG 4.44Å
141R91.9Very high90.3Very high78 Ų7847 Ų4729%0.29427%0.269SS..Hα-helixtrans-76.4-35.3177-169.1176.4-176.8-87.5-1.8113.1E106 L109 A137 L139 G143 T188E106-R141 IonicContact OE1-CZ 3.45Å; E106-R141 VanDerWaalsContact OE1-CZ 3.3Å; E106-R141 IonicContact OE1-NE 3.33Å; E106-R141 PolarHBondContact OE1-NE 3.01Å; E106-R141 IonicContact OE1-NH2 2.72Å; E106-R141 PolarHBondContact OE1-NH2 3.08Å; L109-R141 HydrophobicContact CD1-CB 3.98Å; L109-R141 HydrophobicContact CD1-CG 3.91Å; A137-R141 VanDerWaalsContact O-CB 3.29Å; A137-R141 WeakPolarHBondContact O-CB 3.31Å; A137-R141 PolarHBondContact O-N 3.45Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 2.96Å; R141-G143 VanDerWaalsContact C-N 3.29Å; R141-G143 PolarHBondContact O-N 3.19Å; R141-T188 HydrophobicContact CB-CG2 3.94Å; R141-T188 HydrophobicContact CG-CG2 3.94Å
142S91.5Very high90.4Very high6 Ų646.9 Ų46.94%0.04227%0.268CS..Hα-helixtrans-66.2-31.1177.7176.80000112.5V138 L139 L144 T192 Q345V138-S142 WeakPolarHBondContact O-CB 3.46Å; V138-S142 PolarHBondContact O-N 3.5Å; L139-S142 PolarHBondContact O-N 3.38Å; S142-L144 PolarHBondContact O-N 3.44Å; S142-L144 WeakPolarHBondContact OG-CD1 3.37Å; S142-L144 VanDerWaalsContact OG-CG 3.27Å; S142-L144 WeakPolarHBondContact OG-CG 3.34Å; S142-T192 WeakPolarHBondContact CB-OG1 3.46Å; S142-T192 PolarHBondContact OG-OG1 3.39Å; S142-Q345 PolarHBondContact O-NE2 3.41Å
143G88.1Confident90.5Very high49 Ų4945.2 Ų45.251%0.50526%0.262SS..THydrogen-bonded Turntrans67.510.6-177.800000114L139 R141 G145L139-G143 PolarHBondContact O-N 3.29Å; L139-G143 VanDerWaalsContact O-N 3.12Å; R141-G143 VanDerWaalsContact C-N 3.29Å; R141-G143 PolarHBondContact O-N 3.19Å; G143-G145 PolarHBondContact O-N 3.09Å; G143-G145 VanDerWaalsContact O-N 3.13Å
144L87.6Confident90.6Very high3 Ų350.6 Ų50.62%0.01628%0.278CS..SBendtrans-86.470.8179.8-70.7-175000111.8S142 T192 R195 L196 I208 W341S142-L144 PolarHBondContact O-N 3.44Å; S142-L144 WeakPolarHBondContact OG-CD1 3.37Å; S142-L144 VanDerWaalsContact OG-CG 3.27Å; S142-L144 WeakPolarHBondContact OG-CG 3.34Å; L144-T192 HydrophobicContact CD1-CG2 3.7Å; L144-T192 HydrophobicContact CG-CG2 4.29Å; L144-R195 HydrophobicContact CD1-CB 4.24Å; L144-R195 PolarHBondContact O-NH1 2.91Å; L144-L196 HydrophobicContact CD1-CG 4.37Å; L144-L196 HydrophobicContact CD2-CD2 4.45Å; L144-I208 HydrophobicContact CB-CG1 4.21Å; L144-I208 HydrophobicContact CD1-CD1 4.01Å; L144-I208 HydrophobicContact CD1-CG1 4.49Å; L144-I208 HydrophobicContact CD2-CD1 4.25Å; L144-I208 HydrophobicContact CD2-CG1 4.05Å; L144-I208 HydrophobicContact CD2-CG2 3.99Å; L144-W341 HydrophobicContact CD2-CZ2 4.21Å
145G86.6Confident90.6Very high24 Ų2451.8 Ų51.825%0.24728%0.284CS..SBendtrans91.9173.8175.300000114.5G143 G207G143-G145 PolarHBondContact O-N 3.09Å; G143-G145 VanDerWaalsContact O-N 3.13Å; G145-G207 VanDerWaalsContact CA-O 3.24Å; G145-G207 WeakPolarHBondContact CA-O 3.33Å; G145-G207 PolarHBondContact N-O 3.13Å
146S86.7Confident90.7Very high53 Ų5351.8 Ų51.837%0.37128%0.284SS..  trans-76.1134.1-173.6-176.60000112.4T148 N149S146-T148 PolarHBondContact O-N 3.06Å; S146-T148 VanDerWaalsContact O-N 3.11Å; S146-T148 PolarHBondContact OG-N 3.02Å; S146-T148 VanDerWaalsContact OG-N 3.17Å; S146-T148 PolarHBondContact OG-OG1 3.12Å; S146-N149 PolarHBondContact O-N 3.19Å; S146-N149 VanDerWaalsContact O-N 3.08Å
147P83.2Confident90.8Very high53 Ų5350.7 Ų50.734%0.34428%0.275SS..THydrogen-bonded Turntrans-67.9-5.4171.333.5-39.6000112.8L140 I153L140-P147 HydrophobicContact CD2-CB 4.37Å; L140-P147 HydrophobicContact CD2-CG 3.78Å; L140-P147 HydrophobicContact CG-CG 4.44Å; P147-I153 WeakPolarHBondContact O-CD1 3.43Å
148T86.3Confident90.8Very high124 Ų12453.1 Ų53.176%0.76130%0.295SS*.THydrogen-bonded Turntrans-88.4-14.2173.163.80000113.1S146S146-T148 PolarHBondContact O-N 3.06Å; S146-T148 VanDerWaalsContact O-N 3.11Å; S146-T148 PolarHBondContact OG-N 3.02Å; S146-T148 VanDerWaalsContact OG-N 3.17Å; S146-T148 PolarHBondContact OG-OG1 3.12Å
149N89.2Confident90.8Very high59 Ų5953.1 Ų53.132%0.31630%0.296SS..  trans-85.6118.1-179.1-175.6-15.7000110.4S146 E151 V152 I153S146-N149 PolarHBondContact O-N 3.19Å; S146-N149 VanDerWaalsContact O-N 3.08Å; N149-E151 VanDerWaalsContact C-N 3.27Å; N149-E151 PolarHBondContact O-N 3.21Å; N149-E151 PolarHBondContact OD1-N 3.5Å; N149-V152 HydrophobicContact CB-CB 4.12Å; N149-V152 HydrophobicContact CB-CG2 3.72Å; N149-V152 WeakPolarHBondContact O-CB 3.2Å; N149-V152 PolarHBondContact O-N 2.88Å; N149-V152 VanDerWaalsContact O-N 3.16Å; N149-I153 WeakPolarHBondContact O-CG1 3.47Å; N149-I153 PolarHBondContact O-N 3.33Å; N149-I153 VanDerWaalsContact O-N 3.1Å
150M90.6Very high91Very high155 Ų15553 Ų5376%0.76430%0.295SS*.Hα-helixtrans-61.5-31.6-177.5-169.9164.66500113.4R154M150-R154 WeakPolarHBondContact O-CB 3.33Å; M150-R154 PolarHBondContact O-N 3.3Å
151E92.3Very high91.1Very high116 Ų11653.4 Ų53.454%0.54230%0.295SS..Hα-helixtrans-68.3-42176.7-64.5-175.9152.900111.5N149 R154 E155 A206N149-E151 VanDerWaalsContact C-N 3.27Å; N149-E151 PolarHBondContact O-N 3.21Å; N149-E151 PolarHBondContact OD1-N 3.5Å; E151-R154 PolarHBondContact O-N 3.49Å; E151-E155 WeakPolarHBondContact O-CG 3.49Å; E151-E155 PolarHBondContact O-N 3.2Å; E151-A206 HydrophobicContact CB-CB 3.74Å
152V93.3Very high91Very high0 Ų053.3 Ų53.30%031%0.306CS..Hα-helixtrans-60.3-46.5175.7175.20000110.5L139 N149 R154 E155 A156 A206L139-V152 HydrophobicContact CD1-CG1 4.45Å; L139-V152 HydrophobicContact CD2-CG1 3.61Å; N149-V152 HydrophobicContact CB-CB 4.12Å; N149-V152 HydrophobicContact CB-CG2 3.72Å; N149-V152 WeakPolarHBondContact O-CB 3.2Å; N149-V152 PolarHBondContact O-N 2.88Å; N149-V152 VanDerWaalsContact O-N 3.16Å; V152-R154 PolarHBondContact O-N 3.02Å; V152-E155 PolarHBondContact O-N 3.17Å; V152-A156 WeakPolarHBondContact O-CB 3.44Å; V152-A156 PolarHBondContact O-N 3.02Å; V152-A206 HydrophobicContact CG2-CB 4.18Å; V152-A206 WeakPolarHBondContact CG2-O 3.31Å
153I92.9Very high91.1Very high52 Ų5254.1 Ų54.127%0.26731%0.31SS..Hα-helixtrans-61.1-45.4177.7-60168.3000110.6I135 L139 P147 N149 A156 T157I135-I153 HydrophobicContact CG2-CG2 4.43Å; L139-I153 HydrophobicContact CD1-CG1 4.13Å; P147-I153 WeakPolarHBondContact O-CD1 3.43Å; N149-I153 WeakPolarHBondContact O-CG1 3.47Å; N149-I153 PolarHBondContact O-N 3.33Å; N149-I153 VanDerWaalsContact O-N 3.1Å; I153-A156 PolarHBondContact O-N 3.27Å; I153-T157 VanDerWaalsContact O-CB 3.27Å; I153-T157 WeakPolarHBondContact O-CB 3.44Å; I153-T157 PolarHBondContact O-N 3.16Å; I153-T157 PolarHBondContact O-OG1 3.47Å
154R93.2Very high91.3Very high165 Ų16552.2 Ų52.262%0.62329%0.288SS*.Hα-helixtrans-62.2-45.4-179.9-172.8-173.168.395.63.2111.8M150 E151 V152 T157 A158M150-R154 WeakPolarHBondContact O-CB 3.33Å; M150-R154 PolarHBondContact O-N 3.3Å; E151-R154 PolarHBondContact O-N 3.49Å; V152-R154 PolarHBondContact O-N 3.02Å; R154-T157 PolarHBondContact O-N 3.07Å; R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 2.88Å
155E93.7Very high91.5Very high25 Ų2554.5 Ų54.512%0.11730%0.303CS..Hα-helixtrans-63.8-45.4177.8-73.8-179.4-18000112.3E151 V152 T157 A158 A159 R195 G204 G205 A206E151-E155 WeakPolarHBondContact O-CG 3.49Å; E151-E155 PolarHBondContact O-N 3.2Å; V152-E155 PolarHBondContact O-N 3.17Å; E155-T157 VanDerWaalsContact C-N 3.34Å; E155-A158 PolarHBondContact O-N 3.22Å; E155-A159 WeakPolarHBondContact O-CB 3.5Å; E155-A159 PolarHBondContact O-N 3.16Å; E155-R195 IonicContact OE2-CZ 3.66Å; E155-R195 IonicContact OE2-NE 2.71Å; E155-R195 PolarHBondContact OE2-NE 3.4Å; E155-R195 IonicContact OE2-NH2 3.61Å; E155-R195 PolarHBondContact OE2-NH2 2.87Å; E155-G204 WeakPolarHBondContact OE1-CA 3.37Å; E155-G205 VanDerWaalsContact CD-N 3.32Å; E155-G205 PolarHBondContact OE1-N 3.14Å; E155-G205 PolarHBondContact OE2-N 3.29Å; E155-G205 VanDerWaalsContact OE2-N 3.15Å; E155-A206 PolarHBondContact OE1-N 2.92Å; E155-A206 VanDerWaalsContact OE1-N 3.12Å; E155-A206 PolarHBondContact OE2-N 3.05Å
156A93.8Very high91.7Very high1 Ų157.7 Ų57.71%0.00831%0.311CS..Hα-helixtrans-67.5-36.317800000112.4L139 V152 I153 A159 L160 V191L139-A156 HydrophobicContact CD1-CB 4.01Å; L139-A156 HydrophobicContact CD2-CB 3.33Å; L139-A156 HydrophobicContact CG-CB 3.66Å; V152-A156 WeakPolarHBondContact O-CB 3.44Å; V152-A156 PolarHBondContact O-N 3.02Å; I153-A156 PolarHBondContact O-N 3.27Å; A156-A159 PolarHBondContact O-N 3.07Å; A156-L160 VanDerWaalsContact O-CB 3.28Å; A156-L160 WeakPolarHBondContact O-CB 3.33Å; A156-L160 PolarHBondContact O-N 3.13Å; A156-V191 HydrophobicContact CB-CG1 4.2Å
157T94Very high91.7Very high23 Ų2360.7 Ų60.714%0.14133%0.328CS..Hα-helixtrans-62-47.3173.1-58.60000110.6I135 I153 R154 E155 A159 L160 Q161I135-T157 HydrophobicContact CD1-CG2 3.97Å; I135-T157 WeakPolarHBondContact CD1-OG1 3.49Å; I153-T157 VanDerWaalsContact O-CB 3.27Å; I153-T157 WeakPolarHBondContact O-CB 3.44Å; I153-T157 PolarHBondContact O-N 3.16Å; I153-T157 PolarHBondContact O-OG1 3.47Å; R154-T157 PolarHBondContact O-N 3.07Å; E155-T157 VanDerWaalsContact C-N 3.34Å; T157-A159 PolarHBondContact O-N 3.25Å; T157-L160 PolarHBondContact O-N 2.68Å; T157-Q161 HydrophobicContact CG2-CG 4.33Å; T157-Q161 WeakPolarHBondContact O-CB 3.49Å; T157-Q161 VanDerWaalsContact O-CG 3.25Å; T157-Q161 WeakPolarHBondContact O-CG 3.46Å; T157-Q161 PolarHBondContact O-N 3.26Å
158A94Very high92.1Very high54 Ų5461.6 Ų61.645%0.44633%0.329SS..Hα-helixtrans-63.3-42.4178.100000112.1R154 E155 Q161 S162R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 2.88Å; E155-A158 PolarHBondContact O-N 3.22Å; A158-Q161 PolarHBondContact O-N 2.64Å; A158-S162 PolarHBondContact O-N 2.96Å; A158-S162 VanDerWaalsContact O-N 3.09Å
159A94Very high92.2Very high3 Ų356.1 Ų56.13%0.02530%0.295CS..Hα-helixtrans-63.2-44.4175.500000111.6E155 A156 T157 S162 V191 I194 R195E155-A159 WeakPolarHBondContact O-CB 3.5Å; E155-A159 PolarHBondContact O-N 3.16Å; A156-A159 PolarHBondContact O-N 3.07Å; T157-A159 PolarHBondContact O-N 3.25Å; A159-S162 PolarHBondContact O-N 3.42Å; A159-S162 PolarHBondContact O-OG 2.9Å; A159-V191 HydrophobicContact CB-CB 4.46Å; A159-V191 HydrophobicContact CB-CG1 4.03Å; A159-V191 HydrophobicContact CB-CG2 4.28Å; A159-I194 HydrophobicContact CB-CB 4.17Å; A159-I194 HydrophobicContact CB-CG2 3.75Å; A159-R195 HydrophobicContact CB-CG 4.18Å
160L95.3Very high92.1Very high1 Ų156.3 Ų56.31%0.00531%0.305CS..Hα-helixtrans-64.8-43.6176.7-176.163.9000111.3Y131 I134 I135 A156 T157 S162 I163 F164 F187 V191Y131-L160 HydrophobicContact CE1-CD2 4.08Å; Y131-L160 HydrophobicContact CE2-CD2 4.3Å; I134-L160 HydrophobicContact CG2-CD2 3.82Å; I135-L160 HydrophobicContact CG1-CD2 3.7Å; A156-L160 VanDerWaalsContact O-CB 3.28Å; A156-L160 WeakPolarHBondContact O-CB 3.33Å; A156-L160 PolarHBondContact O-N 3.13Å; T157-L160 PolarHBondContact O-N 2.68Å; L160-S162 PolarHBondContact O-N 3.26Å; L160-I163 HydrophobicContact CD1-CD1 4.19Å; L160-I163 HydrophobicContact CD1-CG1 4.23Å; L160-I163 WeakPolarHBondContact O-CG1 3.46Å; L160-I163 PolarHBondContact O-N 2.9Å; L160-I163 VanDerWaalsContact O-N 3.1Å; L160-F164 HydrophobicContact CD1-CB 4.12Å; L160-F164 CarbonylContact O-C 3.58Å; L160-F164 WeakPolarHBondContact O-CA 3.46Å; L160-F164 PolarHBondContact O-N 3.43Å; L160-F187 HydrophobicContact CD1-CB 3.99Å; L160-F187 HydrophobicContact CD1-CD1 4.49Å; L160-F187 HydrophobicContact CD1-CD2 4.15Å; L160-F187 HydrophobicContact CD1-CG 3.98Å; L160-V191 HydrophobicContact CB-CG2 4Å; L160-V191 HydrophobicContact CD1-CG2 4.16Å
161Q94.5Very high92.1Very high78 Ų7851.9 Ų51.936%0.36429%0.289SS..Hα-helixtrans-62.6-28.3177.8-75.7176.9-15.500113Y131 T157 A158 I163Y131-Q161 HydrophobicContact CE1-CG 4.19Å; Y131-Q161 WeakPolarHBondContact OH-CG 3.37Å; Y131-Q161 PolarHBondContact OH-N 3.28Å; T157-Q161 HydrophobicContact CG2-CG 4.33Å; T157-Q161 WeakPolarHBondContact O-CB 3.49Å; T157-Q161 VanDerWaalsContact O-CG 3.25Å; T157-Q161 WeakPolarHBondContact O-CG 3.46Å; T157-Q161 PolarHBondContact O-N 3.26Å; A158-Q161 PolarHBondContact O-N 2.64Å; Q161-I163 VanDerWaalsContact C-N 3.28Å; Q161-I163 PolarHBondContact O-N 2.97Å
162S91Very high92Very high76 Ų7646.3 Ų46.353%0.53126%0.264SS..Hα-helixtrans-69.3-23.7176.177.60000113.9A158 A159 L160A158-S162 PolarHBondContact O-N 2.96Å; A158-S162 VanDerWaalsContact O-N 3.09Å; A159-S162 PolarHBondContact O-N 3.42Å; A159-S162 PolarHBondContact O-OG 2.9Å; L160-S162 PolarHBondContact O-N 3.26Å
163I92.3Very high91.9Very high23 Ų2348 Ų4812%0.11827%0.273CS..Hα-helixtrans-110.4-27.2-179.763.5175.4000112.9L160 Q161 F187 L190 V191 I194 Y331L160-I163 HydrophobicContact CD1-CD1 4.19Å; L160-I163 HydrophobicContact CD1-CG1 4.23Å; L160-I163 WeakPolarHBondContact O-CG1 3.46Å; L160-I163 PolarHBondContact O-N 2.9Å; L160-I163 VanDerWaalsContact O-N 3.1Å; Q161-I163 VanDerWaalsContact C-N 3.28Å; Q161-I163 PolarHBondContact O-N 2.97Å; I163-F187 HydrophobicContact CD1-CB 4.49Å; I163-F187 HydrophobicContact CD1-CD1 4.06Å; I163-L190 HydrophobicContact CD1-CB 3.53Å; I163-L190 HydrophobicContact CD1-CD1 3.88Å; I163-L190 HydrophobicContact CD1-CG 4.36Å; I163-L190 HydrophobicContact CG2-CD1 4.44Å; I163-V191 HydrophobicContact CD1-CG2 3.99Å; I163-I194 HydrophobicContact CG2-CD1 3.59Å; I163-Y331 HydrophobicContact CG2-CE1 3.73Å; I163-Y331 WeakPolarHBondContact CG2-OH 3.49Å
164F93.5Very high91.7Very high8 Ų850.4 Ų50.44%0.03529%0.294CS..SBendtrans-145.482.9-174.9-175.9-115.4000109.6Y131 I134 L160 D168 F172 F187Y131-F164 HydrophobicContact CD2-CE1 4.34Å; Y131-F164 AromaticContact CE2-CD1 3.8Å; Y131-F164 HydrophobicContact CE2-CD1 3.8Å; Y131-F164 HydrophobicContact CE2-CE1 4Å; Y131-F164 PolarHBondContact OH-O 3.42Å; I134-F164 HydrophobicContact CD1-CE1 4.3Å; L160-F164 HydrophobicContact CD1-CB 4.12Å; L160-F164 CarbonylContact O-C 3.58Å; L160-F164 WeakPolarHBondContact O-CA 3.46Å; L160-F164 PolarHBondContact O-N 3.43Å; F164-D168 HydrophobicContact CD2-CB 3.85Å; F164-D168 HydrophobicContact CE2-CB 3.55Å; F164-D168 WeakPolarHBondContact CE2-O 3.47Å; F164-D168 HydrophobicContact CZ-CB 4.36Å; F164-F172 HydrophobicContact CE2-CB 4.24Å; F164-F172 HydrophobicContact CZ-CB 3.61Å; F164-F172 HydrophobicContact CZ-CG 4.34Å; F164-F187 HydrophobicContact CB-CE1 4Å; F164-F187 HydrophobicContact CB-CZ 3.97Å; F164-F187 HydrophobicContact CD1-CE2 4.02Å; F164-F187 HydrophobicContact CD1-CZ 4.09Å; F164-F187 HydrophobicContact CD2-CE1 4.37Å; F164-F187 HydrophobicContact CD2-CE2 4.41Å; F164-F187 AromaticContact CD2-CZ 3.72Å; F164-F187 HydrophobicContact CD2-CZ 3.72Å; F164-F187 HydrophobicContact CE1-CE2 4.32Å; F164-F187 HydrophobicContact CE2-CZ 4.19Å; F164-F187 HydrophobicContact CG-CE1 4.2Å; F164-F187 HydrophobicContact CG-CE2 4.06Å; F164-F187 AromaticContact CG-CZ 3.65Å; F164-F187 HydrophobicContact CG-CZ 3.65Å
165P92.3Very high91.6Very high51 Ų5143.4 Ų43.433%0.33127%0.271SS..  trans-58.9153.5176.1-22.633.7000111.9T167 D168P165-T167 PolarHBondContact O-N 3.49Å; P165-T167 VanDerWaalsContact O-N 3.08Å; P165-D168 PolarHBondContact O-N 3.45Å
166Q89.2Confident91.5Very high92 Ų9246.2 Ų46.243%0.4329%0.287SS..G310 helixtrans-60-23.1178.9-71.8-178-10.800113.5Y131 D168 I169Y131-Q166 HydrophobicContact CD1-CG 4.03Å; Y131-Q166 HydrophobicContact CD2-CG 3.94Å; Y131-Q166 HydrophobicContact CE1-CG 3.91Å; Y131-Q166 HydrophobicContact CE2-CG 3.81Å; Y131-Q166 HydrophobicContact CG-CG 4.05Å; Q166-D168 PolarHBondContact O-N 3.25Å; Q166-I169 WeakPolarHBondContact O-CB 3.38Å; Q166-I169 WeakPolarHBondContact O-CG2 3.27Å; Q166-I169 PolarHBondContact O-N 3.38Å
167T88.3Confident91.4Very high116 Ų11649 Ų4971%0.71231%0.31SS*.G310 helixtrans-63.4-26.8174.751.60000112.9P165 I169P165-T167 PolarHBondContact O-N 3.49Å; P165-T167 VanDerWaalsContact O-N 3.08Å; T167-I169 VanDerWaalsContact C-N 3.3Å; T167-I169 PolarHBondContact O-N 3.03Å
168D90Very high91.4Very high71 Ų7153.6 Ų53.638%0.3833%0.334SS..G310 helixtrans-89.7-1-172.9-63.6-2.3000112F164 P165 Q166 A170 S171 F172F164-D168 HydrophobicContact CD2-CB 3.85Å; F164-D168 HydrophobicContact CE2-CB 3.55Å; F164-D168 WeakPolarHBondContact CE2-O 3.47Å; F164-D168 HydrophobicContact CZ-CB 4.36Å; P165-D168 PolarHBondContact O-N 3.45Å; Q166-D168 PolarHBondContact O-N 3.25Å; D168-A170 PolarHBondContact O-N 3.28Å; D168-S171 WeakPolarHBondContact O-CB 3.49Å; D168-S171 PolarHBondContact O-N 3.16Å; D168-S171 PolarHBondContact O-OG 3.3Å; D168-F172 PolarHBondContact O-N 3Å
169I89.6Confident91.4Very high9 Ų955.8 Ų55.85%0.04634%0.335CS..Hα-helixtrans-56.6-33.8178.2-161.1171.1000113.2L127 T130 Y131 Q166 T167 S171 F172 L173L127-I169 HydrophobicContact CB-CD1 4.22Å; L127-I169 HydrophobicContact CB-CG2 4.34Å; L127-I169 HydrophobicContact CD1-CG2 4.36Å; L127-I169 HydrophobicContact CD2-CD1 4.43Å; L127-I169 HydrophobicContact CD2-CG2 3.92Å; L127-I169 HydrophobicContact CG-CG2 4.44Å; L127-I169 WeakPolarHBondContact O-CD1 3.48Å; T130-I169 HydrophobicContact CG2-CD1 3.96Å; T130-I169 HydrophobicContact CG2-CG1 4.41Å; Y131-I169 HydrophobicContact CD2-CD1 4.26Å; Q166-I169 WeakPolarHBondContact O-CB 3.38Å; Q166-I169 WeakPolarHBondContact O-CG2 3.27Å; Q166-I169 PolarHBondContact O-N 3.38Å; T167-I169 VanDerWaalsContact C-N 3.3Å; T167-I169 PolarHBondContact O-N 3.03Å; I169-S171 VanDerWaalsContact C-N 3.26Å; I169-S171 PolarHBondContact O-N 3.44Å; I169-F172 PolarHBondContact O-N 3.02Å; I169-L173 HydrophobicContact CG1-CD1 4.43Å; I169-L173 WeakPolarHBondContact O-CG 3.35Å; I169-L173 PolarHBondContact O-N 3.41Å
170A87.4Confident91.4Very high64 Ų6456.3 Ų56.353%0.52934%0.336SS..Hα-helixtrans-62.5-36.1176.900000111.6D168 L173 S174D168-A170 PolarHBondContact O-N 3.28Å; A170-L173 PolarHBondContact O-N 2.9Å; A170-S174 PolarHBondContact O-N 3.36Å; A170-S174 VanDerWaalsContact O-N 3.13Å
171S89.6Confident91.4Very high61 Ų6159.4 Ų59.443%0.42735%0.348SS..Hα-helixtrans-66.9-43.2176.377.90000111.3D168 I169 L173 S174 A175D168-S171 WeakPolarHBondContact O-CB 3.49Å; D168-S171 PolarHBondContact O-N 3.16Å; D168-S171 PolarHBondContact O-OG 3.3Å; I169-S171 VanDerWaalsContact C-N 3.26Å; I169-S171 PolarHBondContact O-N 3.44Å; S171-L173 PolarHBondContact O-N 2.93Å; S171-S174 PolarHBondContact O-N 3.19Å; S171-S174 PolarHBondContact O-OG 2.97Å; S171-A175 PolarHBondContact O-N 2.97Å
172F91.1Very high91.4Very high0 Ų063.1 Ų63.10%036%0.363CS..Hα-helixtrans-60.6-45.4174.9177-93.5000111.5I134 F164 D168 I169 S174 A175 K180 Q183 L184 F187I134-F172 HydrophobicContact CD1-CD1 3.98Å; I134-F172 HydrophobicContact CD1-CE1 3.84Å; I134-F172 HydrophobicContact CD1-CG 4.46Å; I134-F172 HydrophobicContact CD1-CZ 4.21Å; I134-F172 HydrophobicContact CG1-CE1 4.33Å; I134-F172 HydrophobicContact CG1-CZ 4.43Å; F164-F172 HydrophobicContact CE2-CB 4.24Å; F164-F172 HydrophobicContact CZ-CB 3.61Å; F164-F172 HydrophobicContact CZ-CG 4.34Å; D168-F172 PolarHBondContact O-N 3Å; I169-F172 PolarHBondContact O-N 3.02Å; F172-S174 VanDerWaalsContact C-N 3.27Å; F172-S174 PolarHBondContact O-N 3.35Å; F172-A175 WeakPolarHBondContact O-CB 3.49Å; F172-A175 PolarHBondContact O-N 3.45Å; F172-K180 HydrophobicContact CD1-CD 4.49Å; F172-K180 HydrophobicContact CD2-CG 4.35Å; F172-K180 HydrophobicContact CE1-CD 4.01Å; F172-K180 HydrophobicContact CE1-CG 4.18Å; F172-K180 HydrophobicContact CE2-CB 3.85Å; F172-K180 HydrophobicContact CE2-CG 3.99Å; F172-K180 HydrophobicContact CZ-CB 3.8Å; F172-K180 HydrophobicContact CZ-CD 4.1Å; F172-K180 HydrophobicContact CZ-CG 3.9Å; F172-K180 WeakPolarHBondContact O-CE 3.39Å; F172-Q183 HydrophobicContact CD2-CB 4.34Å; F172-Q183 HydrophobicContact CE2-CB 4.25Å; F172-L184 HydrophobicContact CE2-CD2 4.25Å; F172-L184 HydrophobicContact CE2-CG 4.2Å; F172-L184 HydrophobicContact CZ-CD1 4.47Å; F172-L184 HydrophobicContact CZ-CD2 4.15Å; F172-L184 HydrophobicContact CZ-CG 4.19Å; F172-F187 HydrophobicContact CD2-CE2 4.33Å
173L89.6Confident91.5Very high36 Ų3662 Ų6219%0.18835%0.349CS..Hα-helixtrans-64-30.5179.4-71.6172.2000113.3S119 A121 L127 T130 I169 A170 S171 A175S119-L173 WeakPolarHBondContact O-CD2 3.41Å; A121-L173 HydrophobicContact CB-CD1 4.04Å; L127-L173 HydrophobicContact CD2-CD1 3.37Å; T130-L173 HydrophobicContact CG2-CD2 4.25Å; I169-L173 HydrophobicContact CG1-CD1 4.43Å; I169-L173 WeakPolarHBondContact O-CG 3.35Å; I169-L173 PolarHBondContact O-N 3.41Å; A170-L173 PolarHBondContact O-N 2.9Å; S171-L173 PolarHBondContact O-N 2.93Å; L173-A175 VanDerWaalsContact C-N 3.33Å
174S89.4Confident91.7Very high102 Ų10261 Ų6171%0.71334%0.344SS*.Hα-helixtrans-75.9-18.8177.476.40000114.1A170 S171 F172A170-S174 PolarHBondContact O-N 3.36Å; A170-S174 VanDerWaalsContact O-N 3.13Å; S171-S174 PolarHBondContact O-N 3.19Å; S171-S174 PolarHBondContact O-OG 2.97Å; F172-S174 VanDerWaalsContact C-N 3.27Å; F172-S174 PolarHBondContact O-N 3.35Å
175A90.9Very high91.7Very high18 Ų1863.9 Ų63.915%0.14936%0.355CS..SBendtrans-73155.7-178.700000112.1S171 F172 L173 Q179 K180S171-A175 PolarHBondContact O-N 2.97Å; F172-A175 WeakPolarHBondContact O-CB 3.49Å; F172-A175 PolarHBondContact O-N 3.45Å; L173-A175 VanDerWaalsContact C-N 3.33Å; A175-Q179 HydrophobicContact CB-CB 3.92Å; A175-K180 HydrophobicContact CB-CG 4.1Å; A175-K180 VanDerWaalsContact O-CE 3.28Å; A175-K180 WeakPolarHBondContact O-CE 3.32Å
176N92.6Very high91.9Very high83 Ų8366 Ų6644%0.44436%0.361SS..  trans-73.5163.7174.468.746.4000111.7N178 Q179 K180N176-N178 VanDerWaalsContact C-N 3.26Å; N176-N178 PolarHBondContact O-N 3.01Å; N176-N178 PolarHBondContact OD1-N 3.41Å; N176-Q179 VanDerWaalsContact ND2-CD 3.32Å; N176-Q179 PolarHBondContact ND2-OE1 3.05Å; N176-Q179 PolarHBondContact O-N 3.28Å; N176-Q179 VanDerWaalsContact O-N 3.1Å; N176-Q179 WeakPolarHBondContact OD1-CB 3.39Å; N176-Q179 VanDerWaalsContact OD1-CG 3.32Å; N176-Q179 WeakPolarHBondContact OD1-CG 3.5Å; N176-Q179 PolarHBondContact OD1-N 2.89Å; N176-K180 WeakPolarHBondContact O-CG 3.23Å; N176-K180 PolarHBondContact O-N 3.11Å
177A91.8Very high92.2Very high59 Ų5962.4 Ų62.449%0.48834%0.344SS..Hα-helixtrans-56.5-37.2-17600000113.7I117 R181I117-A177 HydrophobicContact CG2-CB 3.86Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.03Å
178N93.3Very high92.6Very high121 Ų12157.1 Ų57.165%0.64731%0.311SS*.Hα-helixtrans-70-39178.8-70.7-20.1000112.1N176 K182N176-N178 VanDerWaalsContact C-N 3.26Å; N176-N178 PolarHBondContact O-N 3.01Å; N176-N178 PolarHBondContact OD1-N 3.41Å; N178-K182 WeakPolarHBondContact O-CG 3.41Å; N178-K182 PolarHBondContact O-N 3.17Å; N178-K182 VanDerWaalsContact O-N 3.08Å
179Q93.8Very high92.9Very high99 Ų9954.3 Ų54.346%0.46330%0.299SS..Hα-helixtrans-66.3-46.5174.6-75.4168.1-24.800111A175 N176 R181 K182 Q183A175-Q179 HydrophobicContact CB-CB 3.92Å; N176-Q179 VanDerWaalsContact ND2-CD 3.32Å; N176-Q179 PolarHBondContact ND2-OE1 3.05Å; N176-Q179 PolarHBondContact O-N 3.28Å; N176-Q179 VanDerWaalsContact O-N 3.1Å; N176-Q179 WeakPolarHBondContact OD1-CB 3.39Å; N176-Q179 VanDerWaalsContact OD1-CG 3.32Å; N176-Q179 WeakPolarHBondContact OD1-CG 3.5Å; N176-Q179 PolarHBondContact OD1-N 2.89Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.47Å; Q179-K182 PolarHBondContact O-N 3.23Å; Q179-K182 VanDerWaalsContact O-N 3.16Å; Q179-Q183 WeakPolarHBondContact O-CG 3.46Å; Q179-Q183 PolarHBondContact O-N 3.15Å
180K94Very high93.2Very high14 Ų1454 Ų546%0.06130%0.297CS..Hα-helixtrans-55.3-45.7174.9-70.6-175.3-177.1-172.80111.3I117 F172 A175 N176 Q183 L184I117-K180 HydrophobicContact CG1-CB 4.17Å; I117-K180 HydrophobicContact CG2-CB 4.37Å; I117-K180 HydrophobicContact CG2-CD 4.26Å; I117-K180 VanDerWaalsContact O-CD 3.28Å; I117-K180 WeakPolarHBondContact O-CD 3.37Å; I117-K180 PolarHBondContact O-NZ 3.17Å; F172-K180 HydrophobicContact CD1-CD 4.49Å; F172-K180 HydrophobicContact CD2-CG 4.35Å; F172-K180 HydrophobicContact CE1-CD 4.01Å; F172-K180 HydrophobicContact CE1-CG 4.18Å; F172-K180 HydrophobicContact CE2-CB 3.85Å; F172-K180 HydrophobicContact CE2-CG 3.99Å; F172-K180 HydrophobicContact CZ-CB 3.8Å; F172-K180 HydrophobicContact CZ-CD 4.1Å; F172-K180 HydrophobicContact CZ-CG 3.9Å; F172-K180 WeakPolarHBondContact O-CE 3.39Å; A175-K180 HydrophobicContact CB-CG 4.1Å; A175-K180 VanDerWaalsContact O-CE 3.28Å; A175-K180 WeakPolarHBondContact O-CE 3.32Å; N176-K180 WeakPolarHBondContact O-CG 3.23Å; N176-K180 PolarHBondContact O-N 3.11Å; K180-Q183 PolarHBondContact O-N 2.92Å; K180-L184 WeakPolarHBondContact O-CG 3.46Å; K180-L184 PolarHBondContact O-N 3.4Å
181R94.8Very high93.7Very high67 Ų6751 Ų5125%0.25327%0.272SS..Hα-helixtrans-60.5-47176.9-175.6175.2-66.9-111.9-0.2112.2E110 I117 A177 Q179 Q183 L184 Y185E110-R181 VanDerWaalsContact CD-NH2 3.27Å; E110-R181 IonicContact OE1-CZ 3.69Å; E110-R181 IonicContact OE1-NH1 2.76Å; E110-R181 IonicContact OE1-NH2 2.71Å; E110-R181 PolarHBondContact OE1-NH2 3.31Å; E110-R181 IonicContact OE2-CZ 3.62Å; E110-R181 IonicContact OE2-NH1 2.79Å; E110-R181 PolarHBondContact OE2-NH1 2.64Å; E110-R181 IonicContact OE2-NH2 2.88Å; E110-R181 PolarHBondContact OE2-NH2 3.27Å; I117-R181 HydrophobicContact CD1-CB 3.96Å; I117-R181 HydrophobicContact CD1-CG 4.41Å; A177-R181 WeakPolarHBondContact O-CB 3.33Å; A177-R181 PolarHBondContact O-N 3.03Å; Q179-R181 VanDerWaalsContact C-N 3.29Å; Q179-R181 PolarHBondContact O-N 3.47Å; R181-Q183 VanDerWaalsContact C-N 3.33Å; R181-Q183 PolarHBondContact O-N 3.32Å; R181-L184 PolarHBondContact O-N 3.36Å; R181-Y185 HydrophobicContact CG-CD2 4.01Å; R181-Y185 HydrophobicContact CG-CE2 3.46Å; R181-Y185 VanDerWaalsContact CG-CE2 3.46Å; R181-Y185 WeakPolarHBondContact O-CD2 3.36Å; R181-Y185 PolarHBondContact O-N 3.11Å; R181-Y185 VanDerWaalsContact O-N 3.09Å
182K94.9Very high94Very high155 Ų15548.3 Ų48.367%0.67425%0.254SS*.Hα-helixtrans-59.8-42.6176-73.6-179.2178.5-172.40112.1N178 Q179 Y185 E186N178-K182 WeakPolarHBondContact O-CG 3.41Å; N178-K182 PolarHBondContact O-N 3.17Å; N178-K182 VanDerWaalsContact O-N 3.08Å; Q179-K182 PolarHBondContact O-N 3.23Å; Q179-K182 VanDerWaalsContact O-N 3.16Å; K182-Y185 PolarHBondContact O-N 2.95Å; K182-E186 PolarHBondContact O-N 2.91Å
183Q94.2Very high94.2Very high53 Ų5348.3 Ų48.325%0.24825%0.254CS..Hα-helixtrans-62-43.4175.9-73.9177.4-40.800111.8F172 Q179 K180 R181 Y185 E186 F187F172-Q183 HydrophobicContact CD2-CB 4.34Å; F172-Q183 HydrophobicContact CE2-CB 4.25Å; Q179-Q183 WeakPolarHBondContact O-CG 3.46Å; Q179-Q183 PolarHBondContact O-N 3.15Å; K180-Q183 PolarHBondContact O-N 2.92Å; R181-Q183 VanDerWaalsContact C-N 3.33Å; R181-Q183 PolarHBondContact O-N 3.32Å; Q183-Y185 VanDerWaalsContact C-N 3.31Å; Q183-Y185 PolarHBondContact O-N 3.33Å; Q183-E186 PolarHBondContact O-N 3.02Å; Q183-F187 HydrophobicContact CB-CE2 4.07Å; Q183-F187 HydrophobicContact CB-CZ 4.1Å; Q183-F187 WeakPolarHBondContact O-CB 3.4Å; Q183-F187 WeakPolarHBondContact O-CD1 3.25Å; Q183-F187 WeakPolarHBondContact O-CD2 3.49Å; Q183-F187 WeakPolarHBondContact O-CG 3.35Å; Q183-F187 PolarHBondContact O-N 3.16Å
184L94.8Very high94.4Very high1 Ų147.2 Ų47.21%0.00525%0.248CC..Hα-helixtrans-60.9-39.7176.2-70.2175.2000112.3L113 A116 I117 I134 F172 K180 R181 F187 T188L113-L184 HydrophobicContact CD2-CB 4.46Å; L113-L184 HydrophobicContact CD2-CD1 3.99Å; A116-L184 HydrophobicContact CB-CD1 4.08Å; I117-L184 HydrophobicContact CD1-CD1 4.23Å; I117-L184 HydrophobicContact CG1-CD1 3.78Å; I134-L184 HydrophobicContact CB-CD2 4.4Å; I134-L184 HydrophobicContact CG1-CD2 4.19Å; I134-L184 HydrophobicContact CG2-CD2 3.81Å; F172-L184 HydrophobicContact CE2-CD2 4.25Å; F172-L184 HydrophobicContact CE2-CG 4.2Å; F172-L184 HydrophobicContact CZ-CD1 4.47Å; F172-L184 HydrophobicContact CZ-CD2 4.15Å; F172-L184 HydrophobicContact CZ-CG 4.19Å; K180-L184 WeakPolarHBondContact O-CG 3.46Å; K180-L184 PolarHBondContact O-N 3.4Å; R181-L184 PolarHBondContact O-N 3.36Å; L184-F187 HydrophobicContact CD2-CD2 4.45Å; L184-T188 WeakPolarHBondContact O-CB 3.36Å; L184-T188 PolarHBondContact O-N 3.44Å; L184-T188 PolarHBondContact O-OG1 2.92Å
185Y94.4Very high94.7Very high69 Ų6942.4 Ų42.427%0.27121%0.214SC..Hα-helixtrans-66.7-41.8175.7-67.5-38.8000112.4E106 L113 R181 K182 Q183 T188 G189E106-Y185 PolarHBondContact OE2-OH 3.16Å; L113-Y185 HydrophobicContact CD1-CE1 4.47Å; R181-Y185 HydrophobicContact CG-CD2 4.01Å; R181-Y185 HydrophobicContact CG-CE2 3.46Å; R181-Y185 VanDerWaalsContact CG-CE2 3.46Å; R181-Y185 WeakPolarHBondContact O-CD2 3.36Å; R181-Y185 PolarHBondContact O-N 3.11Å; R181-Y185 VanDerWaalsContact O-N 3.09Å; K182-Y185 PolarHBondContact O-N 2.95Å; Q183-Y185 VanDerWaalsContact C-N 3.31Å; Q183-Y185 PolarHBondContact O-N 3.33Å; Y185-T188 WeakPolarHBondContact O-CB 3.33Å; Y185-T188 PolarHBondContact O-N 3.22Å; Y185-G189 PolarHBondContact O-N 3.24Å
186E95.5Very high94.9Very high97 Ų9741.8 Ų41.845%0.45321%0.208SC..Hα-helixtrans-63.5-46.2174.6-175173.9-163.900111.7K182 Q183 T188 G189 L190K182-E186 PolarHBondContact O-N 2.91Å; Q183-E186 PolarHBondContact O-N 3.02Å; E186-T188 VanDerWaalsContact C-N 3.27Å; E186-T188 PolarHBondContact O-N 3.23Å; E186-G189 PolarHBondContact O-N 3.41Å; E186-L190 HydrophobicContact CG-CD1 4Å; E186-L190 HydrophobicContact CG-CG 4.48Å; E186-L190 WeakPolarHBondContact O-CG 3.34Å; E186-L190 PolarHBondContact O-N 3.02Å
187F96.3Very high95Very high16 Ų1638.7 Ų38.77%0.0719%0.19CC..Hα-helixtrans-58.8-39.9174.4-62.7-21000111.6I134 V138 L160 I163 F164 F172 Q183 L184 L190 V191I134-F187 HydrophobicContact CG2-CD2 4.36Å; V138-F187 HydrophobicContact CG2-CB 3.98Å; L160-F187 HydrophobicContact CD1-CB 3.99Å; L160-F187 HydrophobicContact CD1-CD1 4.49Å; L160-F187 HydrophobicContact CD1-CD2 4.15Å; L160-F187 HydrophobicContact CD1-CG 3.98Å; I163-F187 HydrophobicContact CD1-CB 4.49Å; I163-F187 HydrophobicContact CD1-CD1 4.06Å; F164-F187 HydrophobicContact CB-CE1 4Å; F164-F187 HydrophobicContact CB-CZ 3.97Å; F164-F187 HydrophobicContact CD1-CE2 4.02Å; F164-F187 HydrophobicContact CD1-CZ 4.09Å; F164-F187 HydrophobicContact CD2-CE1 4.37Å; F164-F187 HydrophobicContact CD2-CE2 4.41Å; F164-F187 AromaticContact CD2-CZ 3.72Å; F164-F187 HydrophobicContact CD2-CZ 3.72Å; F164-F187 HydrophobicContact CE1-CE2 4.32Å; F164-F187 HydrophobicContact CE2-CZ 4.19Å; F164-F187 HydrophobicContact CG-CE1 4.2Å; F164-F187 HydrophobicContact CG-CE2 4.06Å; F164-F187 AromaticContact CG-CZ 3.65Å; F164-F187 HydrophobicContact CG-CZ 3.65Å; F172-F187 HydrophobicContact CD2-CE2 4.33Å; Q183-F187 HydrophobicContact CB-CE2 4.07Å; Q183-F187 HydrophobicContact CB-CZ 4.1Å; Q183-F187 WeakPolarHBondContact O-CB 3.4Å; Q183-F187 WeakPolarHBondContact O-CD1 3.25Å; Q183-F187 WeakPolarHBondContact O-CD2 3.49Å; Q183-F187 WeakPolarHBondContact O-CG 3.35Å; Q183-F187 PolarHBondContact O-N 3.16Å; L184-F187 HydrophobicContact CD2-CD2 4.45Å; F187-L190 PolarHBondContact O-N 2.75Å; F187-V191 VanDerWaalsContact O-CB 3.25Å; F187-V191 WeakPolarHBondContact O-CB 3.28Å; F187-V191 VanDerWaalsContact O-CG2 3.23Å; F187-V191 WeakPolarHBondContact O-CG2 3.27Å; F187-V191 PolarHBondContact O-N 3.3Å
188T95.8Very high95.1Very high4 Ų438.4 Ų38.43%0.02518%0.181CC..Hα-helixtrans-60.5-49.2176.1-55.80000111.1R141 L184 Y185 E186 T192R141-T188 HydrophobicContact CB-CG2 3.94Å; R141-T188 HydrophobicContact CG-CG2 3.94Å; L184-T188 WeakPolarHBondContact O-CB 3.36Å; L184-T188 PolarHBondContact O-N 3.44Å; L184-T188 PolarHBondContact O-OG1 2.92Å; Y185-T188 WeakPolarHBondContact O-CB 3.33Å; Y185-T188 PolarHBondContact O-N 3.22Å; E186-T188 VanDerWaalsContact C-N 3.27Å; E186-T188 PolarHBondContact O-N 3.23Å; T188-T192 VanDerWaalsContact O-CB 3.26Å; T188-T192 WeakPolarHBondContact O-CB 3.26Å; T188-T192 PolarHBondContact O-N 2.88Å; T188-T192 PolarHBondContact O-OG1 3.46Å
189G96.7Very high95.1Very high12 Ų1235.3 Ų35.312%0.12416%0.161CC..Hα-helixtrans-61.5-46.917800000112.2Y185 E186 T192 G193 A338Y185-G189 PolarHBondContact O-N 3.24Å; E186-G189 PolarHBondContact O-N 3.41Å; G189-T192 PolarHBondContact O-N 3.42Å; G189-G193 PolarHBondContact O-N 3.07Å; G189-A338 VanDerWaalsContact O-CB 3.22Å; G189-A338 WeakPolarHBondContact O-CB 3.38Å
190L96.8Very high95.1Very high3 Ų334.6 Ų34.62%0.01616%0.161CC..Hα-helixtrans-65.5-47.1-179.1-69.8173.5000112.5I163 E186 F187 T192 G193 I194 Y331 F334 L335I163-L190 HydrophobicContact CD1-CB 3.53Å; I163-L190 HydrophobicContact CD1-CD1 3.88Å; I163-L190 HydrophobicContact CD1-CG 4.36Å; I163-L190 HydrophobicContact CG2-CD1 4.44Å; E186-L190 HydrophobicContact CG-CD1 4Å; E186-L190 HydrophobicContact CG-CG 4.48Å; E186-L190 WeakPolarHBondContact O-CG 3.34Å; E186-L190 PolarHBondContact O-N 3.02Å; F187-L190 PolarHBondContact O-N 2.75Å; L190-T192 VanDerWaalsContact C-N 3.31Å; L190-T192 PolarHBondContact O-N 3.32Å; L190-G193 PolarHBondContact O-N 3.04Å; L190-I194 WeakPolarHBondContact O-CB 3.3Å; L190-I194 VanDerWaalsContact O-CG1 3.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.27Å; L190-Y331 HydrophobicContact CD1-CD2 3.96Å; L190-Y331 HydrophobicContact CD1-CE2 4.11Å; L190-Y331 HydrophobicContact CD1-CG 4.27Å; L190-Y331 HydrophobicContact CD2-CD1 3.9Å; L190-Y331 HydrophobicContact CD2-CD2 4.14Å; L190-Y331 HydrophobicContact CD2-CG 3.63Å; L190-F334 HydrophobicContact CD2-CB 4.23Å; L190-L335 HydrophobicContact CD2-CD1 4.46Å; L190-L335 HydrophobicContact CD2-CD2 3.97Å; L190-L335 HydrophobicContact CD2-CG 3.82Å; L190-L335 HydrophobicContact CG-CD2 3.95Å; L190-L335 HydrophobicContact CG-CG 4.34Å
191V96.3Very high94.9Very high0 Ų035.4 Ų35.40%017%0.168CC..Hα-helixtrans-62.1-41.2178169.30000110.7V138 A156 A159 L160 I163 F187 I194 R195V138-V191 HydrophobicContact CG1-CB 3.75Å; V138-V191 HydrophobicContact CG1-CG1 3.8Å; V138-V191 HydrophobicContact CG1-CG2 3.98Å; A156-V191 HydrophobicContact CB-CG1 4.2Å; A159-V191 HydrophobicContact CB-CB 4.46Å; A159-V191 HydrophobicContact CB-CG1 4.03Å; A159-V191 HydrophobicContact CB-CG2 4.28Å; L160-V191 HydrophobicContact CB-CG2 4Å; L160-V191 HydrophobicContact CD1-CG2 4.16Å; I163-V191 HydrophobicContact CD1-CG2 3.99Å; F187-V191 VanDerWaalsContact O-CB 3.25Å; F187-V191 WeakPolarHBondContact O-CB 3.28Å; F187-V191 VanDerWaalsContact O-CG2 3.23Å; F187-V191 WeakPolarHBondContact O-CG2 3.27Å; F187-V191 PolarHBondContact O-N 3.3Å; V191-I194 PolarHBondContact O-N 2.93Å; V191-R195 HydrophobicContact CG1-CG 4.32Å; V191-R195 WeakPolarHBondContact O-CB 3.27Å; V191-R195 VanDerWaalsContact O-CG 3.28Å; V191-R195 WeakPolarHBondContact O-CG 3.14Å; V191-R195 PolarHBondContact O-N 2.91Å
192T96Very high94.6Very high6 Ų639.5 Ų39.54%0.03720%0.195CC..Hα-helixtrans-58.3-52.4174.9-580000110.5S142 L144 T188 G189 L190 I194 R195 L196 A338S142-T192 WeakPolarHBondContact CB-OG1 3.46Å; S142-T192 PolarHBondContact OG-OG1 3.39Å; L144-T192 HydrophobicContact CD1-CG2 3.7Å; L144-T192 HydrophobicContact CG-CG2 4.29Å; T188-T192 VanDerWaalsContact O-CB 3.26Å; T188-T192 WeakPolarHBondContact O-CB 3.26Å; T188-T192 PolarHBondContact O-N 2.88Å; T188-T192 PolarHBondContact O-OG1 3.46Å; G189-T192 PolarHBondContact O-N 3.42Å; L190-T192 VanDerWaalsContact C-N 3.31Å; L190-T192 PolarHBondContact O-N 3.32Å; T192-I194 PolarHBondContact O-N 2.94Å; T192-R195 PolarHBondContact O-N 3.42Å; T192-L196 HydrophobicContact CG2-CD1 3.99Å; T192-L196 VanDerWaalsContact O-CG 3.25Å; T192-L196 WeakPolarHBondContact O-CG 3.4Å; T192-L196 PolarHBondContact O-N 2.91Å; T192-A338 HydrophobicContact CG2-CB 3.79Å
193G96Very high94.2Very high0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-61.3-42.6179.200000114G189 L190 L196 Y197 F334G189-G193 PolarHBondContact O-N 3.07Å; L190-G193 PolarHBondContact O-N 3.04Å; G193-L196 PolarHBondContact O-N 3.37Å; G193-Y197 WeakPolarHBondContact O-CB 3.43Å; G193-Y197 PolarHBondContact O-N 3.12Å; G193-F334 WeakPolarHBondContact CA-O 3.31Å
194I94.8Very high94Very high13 Ų1338.8 Ų38.87%0.06720%0.199CC..Hα-helixtrans-65.3-42.3178.2-68.5164.9000110.9A159 I163 L190 V191 T192 Y197 N198 F334A159-I194 HydrophobicContact CB-CB 4.17Å; A159-I194 HydrophobicContact CB-CG2 3.75Å; I163-I194 HydrophobicContact CG2-CD1 3.59Å; L190-I194 WeakPolarHBondContact O-CB 3.3Å; L190-I194 VanDerWaalsContact O-CG1 3.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.27Å; V191-I194 PolarHBondContact O-N 2.93Å; T192-I194 PolarHBondContact O-N 2.94Å; I194-Y197 PolarHBondContact O-N 3.28Å; I194-N198 WeakPolarHBondContact O-CB 3.31Å; I194-N198 VanDerWaalsContact O-CG 3.22Å; I194-N198 PolarHBondContact O-N 3.18Å; I194-N198 PolarHBondContact O-ND2 3.39Å; I194-F334 HydrophobicContact CD1-CD2 4.38Å; I194-F334 HydrophobicContact CD1-CE2 4.49Å; I194-F334 HydrophobicContact CG1-CD1 4.13Å; I194-F334 HydrophobicContact CG1-CD2 3.72Å; I194-F334 HydrophobicContact CG1-CE1 4.21Å; I194-F334 HydrophobicContact CG1-CE2 3.79Å; I194-F334 HydrophobicContact CG1-CG 3.9Å; I194-F334 HydrophobicContact CG1-CZ 4.05Å
195R95.1Very high93.6Very high1 Ų139.4 Ų39.40%0.00421%0.206CC..Hα-helixtrans-66.4-39.1178-72.6-171.771.8-147.5-5.3112.1L144 E155 A159 V191 T192 N198 K199 A206 I208L144-R195 HydrophobicContact CD1-CB 4.24Å; L144-R195 PolarHBondContact O-NH1 2.91Å; E155-R195 IonicContact OE2-CZ 3.66Å; E155-R195 IonicContact OE2-NE 2.71Å; E155-R195 PolarHBondContact OE2-NE 3.4Å; E155-R195 IonicContact OE2-NH2 3.61Å; E155-R195 PolarHBondContact OE2-NH2 2.87Å; A159-R195 HydrophobicContact CB-CG 4.18Å; V191-R195 HydrophobicContact CG1-CG 4.32Å; V191-R195 WeakPolarHBondContact O-CB 3.27Å; V191-R195 VanDerWaalsContact O-CG 3.28Å; V191-R195 WeakPolarHBondContact O-CG 3.14Å; V191-R195 PolarHBondContact O-N 2.91Å; T192-R195 PolarHBondContact O-N 3.42Å; R195-N198 PolarHBondContact O-N 3.28Å; R195-K199 PolarHBondContact O-N 3.27Å; R195-A206 PolarHBondContact NH2-O 2.93Å; R195-I208 HydrophobicContact CB-CD1 4.21Å
196L95.9Very high93.4Very high4 Ų437 Ų372%0.02120%0.2CC..Hα-helixtrans-63.1-44.1173.7-69.4167.9000111.9L144 T192 G193 K199 D200 I208 F308 W341L144-L196 HydrophobicContact CD1-CG 4.37Å; L144-L196 HydrophobicContact CD2-CD2 4.45Å; T192-L196 HydrophobicContact CG2-CD1 3.99Å; T192-L196 VanDerWaalsContact O-CG 3.25Å; T192-L196 WeakPolarHBondContact O-CG 3.4Å; T192-L196 PolarHBondContact O-N 2.91Å; G193-L196 PolarHBondContact O-N 3.37Å; L196-K199 WeakPolarHBondContact O-CB 3.43Å; L196-K199 PolarHBondContact O-N 3.45Å; L196-D200 PolarHBondContact O-N 3.09Å; L196-D200 VanDerWaalsContact O-N 3.1Å; L196-I208 HydrophobicContact CD2-CD1 4.38Å; L196-I208 HydrophobicContact CD2-CG2 4.07Å; L196-F308 HydrophobicContact CD1-CE2 4.3Å; L196-W341 HydrophobicContact CD1-CB 3.59Å; L196-W341 HydrophobicContact CD1-CD2 3.95Å; L196-W341 HydrophobicContact CD1-CE3 4.15Å; L196-W341 HydrophobicContact CD1-CG 3.71Å; L196-W341 HydrophobicContact CD2-CD2 3.54Å; L196-W341 HydrophobicContact CD2-CE3 3.49Å; L196-W341 VanDerWaalsContact CD2-CE3 3.49Å; L196-W341 HydrophobicContact CD2-CG 4.13Å; L196-W341 HydrophobicContact CD2-CH2 4.05Å; L196-W341 HydrophobicContact CD2-CZ2 4.1Å; L196-W341 HydrophobicContact CD2-CZ3 3.76Å; L196-W341 HydrophobicContact CG-CD2 4.39Å; L196-W341 HydrophobicContact CG-CE3 4.47Å
197Y94.7Very high93.1Very high19 Ų1934.2 Ų34.28%0.07520%0.198CC..Hα-helixtrans-62.6-43.5174.9-178.8-99.8000112G193 I194 K199 D200 C201 M312 L315 H316 I319 F334G193-Y197 WeakPolarHBondContact O-CB 3.43Å; G193-Y197 PolarHBondContact O-N 3.12Å; I194-Y197 PolarHBondContact O-N 3.28Å; Y197-K199 VanDerWaalsContact C-N 3.3Å; Y197-K199 PolarHBondContact O-N 3.47Å; Y197-D200 PolarHBondContact O-N 2.94Å; Y197-C201 VanDerWaalsContact CE1-SG 3.52Å; Y197-C201 VanDerWaalsContact CZ-SG 3.57Å; Y197-C201 PolarHBondContact O-N 3.46Å; Y197-C201 PolarHBondContact O-SG 3.34Å; Y197-M312 HydrophobicContact CD2-SD 3.8Å; Y197-L315 HydrophobicContact CD2-CB 4.12Å; Y197-L315 HydrophobicContact CE2-CB 4.07Å; Y197-H316 AromaticContact CE2-CE1 3.51Å; Y197-H316 AromaticContact CE2-CG 3.93Å; Y197-H316 AromaticContact CE2-ND1 3.45Å; Y197-H316 WeakPolarHBondContact CE2-ND1 3.23Å; Y197-H316 AromaticContact CE2-NE2 3.98Å; Y197-H316 AromaticContact CZ-CE1 3.88Å; Y197-H316 AromaticContact CZ-ND1 3.66Å; Y197-H316 PolarHBondContact OH-ND1 2.89Å; Y197-H316 VanDerWaalsContact OH-ND1 3.17Å; Y197-I319 HydrophobicContact CD1-CD1 4.4Å; Y197-I319 HydrophobicContact CE1-CD1 3.84Å; Y197-I319 HydrophobicContact CE1-CG2 4.39Å; Y197-I319 HydrophobicContact CE2-CD1 4.12Å; Y197-F334 HydrophobicContact CD1-CE1 4.25Å; Y197-F334 HydrophobicContact CD2-CE1 4.48Å; Y197-F334 AromaticContact CG-CE1 3.91Å; Y197-F334 HydrophobicContact CG-CE1 3.91Å
198N93.2Very high93Very high53 Ų5334.1 Ų34.128%0.28320%0.197SC..Hα-helixtrans-65.1-32.8177.2-73.3-22.4000112.8I194 R195 N202 K203 G204I194-N198 WeakPolarHBondContact O-CB 3.31Å; I194-N198 VanDerWaalsContact O-CG 3.22Å; I194-N198 PolarHBondContact O-N 3.18Å; I194-N198 PolarHBondContact O-ND2 3.39Å; R195-N198 PolarHBondContact O-N 3.28Å; N198-N202 PolarHBondContact O-N 3.34Å; N198-K203 PolarHBondContact O-N 3.23Å; N198-G204 PolarHBondContact O-N 2.87Å
199K93.9Very high92.8Very high55 Ų5539.1 Ų39.124%0.23922%0.224CC..Hα-helixtrans-60.9-50.2170.4180-177.1175.4178.90110.8R195 L196 Y197 C201 N202 G204 I208 D209R195-K199 PolarHBondContact O-N 3.27Å; L196-K199 WeakPolarHBondContact O-CB 3.43Å; L196-K199 PolarHBondContact O-N 3.45Å; Y197-K199 VanDerWaalsContact C-N 3.3Å; Y197-K199 PolarHBondContact O-N 3.47Å; K199-C201 VanDerWaalsContact C-N 3.29Å; K199-C201 PolarHBondContact O-N 2.88Å; K199-N202 WeakPolarHBondContact O-CA 3.46Å; K199-N202 PolarHBondContact O-N 3.09Å; K199-G204 WeakPolarHBondContact CA-O 3.32Å; K199-I208 HydrophobicContact CD-CB 3.91Å; K199-I208 HydrophobicContact CD-CD1 4.39Å; K199-I208 HydrophobicContact CD-CG2 3.72Å; K199-I208 PolarHBondContact NZ-O 3.2Å; K199-D209 PolarHBondContact NZ-O 2.9Å
200D92.4Very high92.7Very high84 Ų8442.4 Ų42.445%0.44924%0.239SC..Hα-helixtrans-63.9-34.3-179.9-162.577.8000112.4L196 Y197 N202 M312 H316L196-D200 PolarHBondContact O-N 3.09Å; L196-D200 VanDerWaalsContact O-N 3.1Å; Y197-D200 PolarHBondContact O-N 2.94Å; D200-N202 PolarHBondContact O-N 3.31Å; D200-M312 HydrophobicContact CB-CE 3.94Å; D200-M312 HydrophobicContact CB-CG 4.25Å; D200-M312 HydrophobicContact CB-SD 3.92Å; D200-H316 IonicContact OD2-CD2 3.41Å; D200-H316 IonicContact OD2-CE1 2.93Å; D200-H316 IonicContact OD2-NE2 3.63Å; D200-H316 PolarHBondContact OD2-NE2 3.12Å
201C90.6Very high92.6Very high31 Ų3143 Ų4321%0.20924%0.242CC..THydrogen-bonded Turntrans-71.4-0.8170.9-71.20000115Y197 K199 K203 H316Y197-C201 VanDerWaalsContact CE1-SG 3.52Å; Y197-C201 VanDerWaalsContact CZ-SG 3.57Å; Y197-C201 PolarHBondContact O-N 3.46Å; Y197-C201 PolarHBondContact O-SG 3.34Å; K199-C201 VanDerWaalsContact C-N 3.29Å; K199-C201 PolarHBondContact O-N 2.88Å; C201-K203 HydrophobicContact CB-CB 4.34Å; C201-K203 HydrophobicContact CB-CD 3.99Å; C201-K203 HydrophobicContact CB-CG 4Å; C201-K203 PolarHBondContact O-N 3.04Å; C201-H316 VanDerWaalsContact SG-CE1 3.57Å
202N88.2Confident92.5Very high153 Ų15344 Ų4482%0.81825%0.248SC*.THydrogen-bonded Turntrans5529.6-170.2-59.3-64.2000113.8N198 K199 D200N198-N202 PolarHBondContact O-N 3.34Å; K199-N202 WeakPolarHBondContact O-CA 3.46Å; K199-N202 PolarHBondContact O-N 3.09Å; D200-N202 PolarHBondContact O-N 3.31Å
203K87.4Confident92.5Very high165 Ų16547.8 Ų47.872%0.71727%0.265SS*.SBendtrans-103.4-0.6179.4-69177.5-175.9172.30113.1N198 C201N198-K203 PolarHBondContact O-N 3.23Å; C201-K203 HydrophobicContact CB-CB 4.34Å; C201-K203 HydrophobicContact CB-CD 3.99Å; C201-K203 HydrophobicContact CB-CG 4Å; C201-K203 PolarHBondContact O-N 3.04Å
204G88.8Confident92.5Very high29 Ų2951.4 Ų51.430%0.29928%0.284SS..  trans174.7-153.5-178.700000110.9E155 N198 K199E155-G204 WeakPolarHBondContact OE1-CA 3.37Å; N198-G204 PolarHBondContact O-N 2.87Å; K199-G204 WeakPolarHBondContact CA-O 3.32Å
205G87.8Confident92.6Very high14 Ų1450.8 Ų50.814%0.14428%0.281CS..  trans107.821.5179.400000113.7E155 G207 I208E155-G205 VanDerWaalsContact CD-N 3.32Å; E155-G205 PolarHBondContact OE1-N 3.14Å; E155-G205 PolarHBondContact OE2-N 3.29Å; E155-G205 VanDerWaalsContact OE2-N 3.15Å; G205-G207 PolarHBondContact O-N 3.39Å; G205-I208 PolarHBondContact O-N 3.26Å
206A90.1Very high92.5Very high17 Ų1753.3 Ų53.314%0.1430%0.299CS..THydrogen-bonded Turntrans-54.9130.4175.600000110.8E151 V152 E155 R195 I208E151-A206 HydrophobicContact CB-CB 3.74Å; V152-A206 HydrophobicContact CG2-CB 4.18Å; V152-A206 WeakPolarHBondContact CG2-O 3.31Å; E155-A206 PolarHBondContact OE1-N 2.92Å; E155-A206 VanDerWaalsContact OE1-N 3.12Å; E155-A206 PolarHBondContact OE2-N 3.05Å; R195-A206 PolarHBondContact NH2-O 2.93Å; A206-I208 VanDerWaalsContact C-N 3.27Å; A206-I208 PolarHBondContact O-N 3.33Å
207G89.2Confident92.5Very high40 Ų4058.1 Ų58.141%0.41232%0.322SS..THydrogen-bonded Turntrans7111.7177.600000116G145 G205G145-G207 VanDerWaalsContact CA-O 3.24Å; G145-G207 WeakPolarHBondContact CA-O 3.33Å; G145-G207 PolarHBondContact N-O 3.13Å; G205-G207 PolarHBondContact O-N 3.39Å
208I93.2Very high92.5Very high13 Ų1358.2 Ų58.27%0.06733%0.328CS..  trans-96.9106.3174.7-55-176.2000109.3L144 R195 L196 K199 G205 A206 W341L144-I208 HydrophobicContact CB-CG1 4.21Å; L144-I208 HydrophobicContact CD1-CD1 4.01Å; L144-I208 HydrophobicContact CD1-CG1 4.49Å; L144-I208 HydrophobicContact CD2-CD1 4.25Å; L144-I208 HydrophobicContact CD2-CG1 4.05Å; L144-I208 HydrophobicContact CD2-CG2 3.99Å; R195-I208 HydrophobicContact CB-CD1 4.21Å; L196-I208 HydrophobicContact CD2-CD1 4.38Å; L196-I208 HydrophobicContact CD2-CG2 4.07Å; K199-I208 HydrophobicContact CD-CB 3.91Å; K199-I208 HydrophobicContact CD-CD1 4.39Å; K199-I208 HydrophobicContact CD-CG2 3.72Å; K199-I208 PolarHBondContact NZ-O 3.2Å; G205-I208 PolarHBondContact O-N 3.26Å; A206-I208 VanDerWaalsContact C-N 3.27Å; A206-I208 PolarHBondContact O-N 3.33Å; I208-W341 HydrophobicContact CG2-CH2 3.82Å; I208-W341 HydrophobicContact CG2-CZ2 3.56Å
209D92.5Very high92.6Very high110 Ų11055.7 Ų55.759%0.58832%0.315SS*.  trans-63.2154.7174-60-46.1000111.8K199 L211 L214 W341K199-D209 PolarHBondContact NZ-O 2.9Å; D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 HydrophobicContact CB-CD2 4.27Å; D209-L211 PolarHBondContact O-N 2.78Å; D209-L211 VanDerWaalsContact O-N 3.13Å; D209-L214 HydrophobicContact CB-CD1 4.12Å; D209-W341 WeakPolarHBondContact O-CH2 2.98Å; D209-W341 WeakPolarHBondContact O-CZ2 3.22Å
210D93.8Very high92.8Very high81 Ų8155.7 Ų55.743%0.43332%0.32SS..  trans-85.973.3175.6-166.8-6.3000110.6P212 H213 L214D210-P212 WeakPolarHBondContact OD1-CD 3.42Å; D210-H213 HydrophobicContact CB-CB 4.08Å; D210-H213 VanDerWaalsContact CG-CB 3.45Å; D210-H213 PolarHBondContact O-N 2.82Å; D210-H213 VanDerWaalsContact O-N 3.12Å; D210-H213 PolarHBondContact OD1-N 3Å; D210-H213 WeakPolarHBondContact OD2-CB 3.39Å; D210-L214 WeakPolarHBondContact O-CG 3.33Å; D210-L214 PolarHBondContact O-N 3.36Å
211L95Very high93Very high15 Ų1556.3 Ų56.38%0.07932%0.323CS..Hα-helixtrans-54.2-43.8-179.5-57.7-177.5000113.4D209 H213 L214 L215 W341 L344 Q345 M348D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 HydrophobicContact CB-CD2 4.27Å; D209-L211 PolarHBondContact O-N 2.78Å; D209-L211 VanDerWaalsContact O-N 3.13Å; L211-H213 VanDerWaalsContact C-N 3.3Å; L211-H213 PolarHBondContact O-N 3.04Å; L211-L214 HydrophobicContact CD2-CD1 4.43Å; L211-L214 PolarHBondContact O-N 2.83Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.1Å; L211-L215 WeakPolarHBondContact O-CG 3.17Å; L211-L215 PolarHBondContact O-N 2.8Å; L211-W341 HydrophobicContact CB-CH2 4.11Å; L211-W341 HydrophobicContact CB-CZ2 4.23Å; L211-W341 HydrophobicContact CD1-CD2 4.34Å; L211-W341 HydrophobicContact CD1-CH2 4.27Å; L211-W341 HydrophobicContact CD1-CZ2 3.58Å; L211-W341 HydrophobicContact CG-CH2 3.98Å; L211-W341 HydrophobicContact CG-CZ2 3.62Å; L211-L344 HydrophobicContact CB-CB 4.22Å; L211-L344 HydrophobicContact CD1-CB 4.25Å; L211-Q345 HydrophobicContact CD1-CB 4.41Å; L211-Q345 HydrophobicContact CD1-CG 3.47Å; L211-Q345 VanDerWaalsContact CD1-CG 3.47Å; L211-M348 HydrophobicContact CD2-CG 4.48Å
212P94.9Very high93.2Very high20 Ų2055.6 Ų55.613%0.1332%0.317CS..Hα-helixtrans-51.8-47.2173.8-29.135.4000113.4D210 S216 I305 W341 L344D210-P212 WeakPolarHBondContact OD1-CD 3.42Å; P212-S216 VanDerWaalsContact O-CB 3.27Å; P212-S216 WeakPolarHBondContact O-CB 3.18Å; P212-S216 PolarHBondContact O-N 3.25Å; P212-S216 PolarHBondContact O-OG 3.33Å; P212-I305 HydrophobicContact CB-CD1 3.89Å; P212-I305 HydrophobicContact CB-CG1 4.03Å; P212-W341 HydrophobicContact CG-CZ3 4.4Å; P212-L344 HydrophobicContact CG-CD1 3.86Å
213H94.5Very high93.6Very high86 Ų8649 Ų4940%0.39828%0.282SS..Hα-helixtrans-69.3-49.4179.9179.853.6000111.9D210 L211 L215 S216 E217D210-H213 HydrophobicContact CB-CB 4.08Å; D210-H213 VanDerWaalsContact CG-CB 3.45Å; D210-H213 PolarHBondContact O-N 2.82Å; D210-H213 VanDerWaalsContact O-N 3.12Å; D210-H213 PolarHBondContact OD1-N 3Å; D210-H213 WeakPolarHBondContact OD2-CB 3.39Å; L211-H213 VanDerWaalsContact C-N 3.3Å; L211-H213 PolarHBondContact O-N 3.04Å; H213-L215 VanDerWaalsContact C-N 3.28Å; H213-L215 PolarHBondContact O-N 2.83Å; H213-S216 WeakPolarHBondContact CA-OG 3.42Å; H213-S216 PolarHBondContact O-N 2.74Å; H213-S216 VanDerWaalsContact O-N 3.11Å; H213-S216 PolarHBondContact O-OG 3.48Å; H213-E217 IonicContact CE1-OE1 3.9Å; H213-E217 PolarHBondContact CE1-OE1 3.43Å; H213-E217 IonicContact CE1-OE2 3.19Å; H213-E217 IonicContact NE2-OE1 2.77Å; H213-E217 IonicContact NE2-OE2 3.4Å; H213-E217 PolarHBondContact O-N 3.22Å
214L96.2Very high94.1Very high76 Ų7646.9 Ų46.940%0.39828%0.275SS..Hα-helixtrans-57.1-40.3179.9-70.2174.1000112.4D209 D210 L211 G218D209-L214 HydrophobicContact CB-CD1 4.12Å; D210-L214 WeakPolarHBondContact O-CG 3.33Å; D210-L214 PolarHBondContact O-N 3.36Å; L211-L214 HydrophobicContact CD2-CD1 4.43Å; L211-L214 PolarHBondContact O-N 2.83Å; L214-G218 WeakPolarHBondContact O-CA 3.3Å; L214-G218 PolarHBondContact O-N 3.41Å
215L96.6Very high94.4Very high0 Ų048.4 Ų48.40%028%0.278CS..Hα-helixtrans-71.5-43.1176.2-75.6169.9000112L211 H213 E217 G218 V219 I301 L344 E347 M348 L351L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 3.1Å; L211-L215 WeakPolarHBondContact O-CG 3.17Å; L211-L215 PolarHBondContact O-N 2.8Å; H213-L215 VanDerWaalsContact C-N 3.28Å; H213-L215 PolarHBondContact O-N 2.83Å; L215-E217 PolarHBondContact O-N 2.92Å; L215-G218 PolarHBondContact O-N 3.13Å; L215-V219 WeakPolarHBondContact O-CG2 3.32Å; L215-V219 PolarHBondContact O-N 2.97Å; L215-V219 VanDerWaalsContact O-N 3.13Å; L215-I301 HydrophobicContact CB-CD1 3.98Å; L215-I301 HydrophobicContact CB-CG1 4.48Å; L215-I301 HydrophobicContact CB-CG2 4.22Å; L215-I301 HydrophobicContact CD1-CG1 4.41Å; L215-I301 HydrophobicContact CD2-CD1 4.16Å; L215-I301 HydrophobicContact CG-CD1 4.46Å; L215-L344 HydrophobicContact CD1-CB 4.18Å; L215-L344 HydrophobicContact CD1-CD2 3.82Å; L215-E347 HydrophobicContact CD1-CB 4Å; L215-E347 HydrophobicContact CD2-CB 4.09Å; L215-M348 HydrophobicContact CD2-CB 4.18Å; L215-M348 HydrophobicContact CD2-SD 3.98Å; L215-M348 HydrophobicContact CG-SD 4.37Å; L215-L351 HydrophobicContact CD2-CD2 4.16Å
216S94.4Very high94.8Very high54 Ų5447.8 Ų47.838%0.37827%0.271SS..Hα-helixtrans-63.7-26.2179.669.60000113.8P212 H213 P220P212-S216 VanDerWaalsContact O-CB 3.27Å; P212-S216 WeakPolarHBondContact O-CB 3.18Å; P212-S216 PolarHBondContact O-N 3.25Å; P212-S216 PolarHBondContact O-OG 3.33Å; H213-S216 WeakPolarHBondContact CA-OG 3.42Å; H213-S216 PolarHBondContact O-N 2.74Å; H213-S216 VanDerWaalsContact O-N 3.11Å; H213-S216 PolarHBondContact O-OG 3.48Å; S216-P220 VanDerWaalsContact O-CD 3.23Å; S216-P220 WeakPolarHBondContact O-CD 3.25Å; S216-P220 VanDerWaalsContact O-CG 3.26Å; S216-P220 WeakPolarHBondContact O-CG 3.42Å
217E94.8Very high95.2Very high106 Ų10649.9 Ų49.950%0.49528%0.281SS..Hα-helixtrans-95-42.1173.1-67.3-163.7159.300112.6H213 L215 V219 P220 I221H213-E217 IonicContact CE1-OE1 3.9Å; H213-E217 PolarHBondContact CE1-OE1 3.43Å; H213-E217 IonicContact CE1-OE2 3.19Å; H213-E217 IonicContact NE2-OE1 2.77Å; H213-E217 IonicContact NE2-OE2 3.4Å; H213-E217 PolarHBondContact O-N 3.22Å; L215-E217 PolarHBondContact O-N 2.92Å; E217-V219 PolarHBondContact O-N 2.83Å; E217-P220 WeakPolarHBondContact O-CD 3.29Å; E217-I221 HydrophobicContact CB-CD1 4.49Å; E217-I221 WeakPolarHBondContact O-CD1 3.39Å; E217-I221 VanDerWaalsContact O-CG1 3.24Å; E217-I221 WeakPolarHBondContact O-CG1 3.43Å; E217-I221 PolarHBondContact O-N 3.08Å
218G94.8Very high95.5Very high21 Ų2152.5 Ų52.522%0.21628%0.282CS..Hα-helixtrans-65.9-36.9-173.400000114L214 L215 T222L214-G218 WeakPolarHBondContact O-CA 3.3Å; L214-G218 PolarHBondContact O-N 3.41Å; L215-G218 PolarHBondContact O-N 3.13Å; G218-T222 WeakPolarHBondContact O-CB 3.33Å; G218-T222 PolarHBondContact O-N 2.87Å; G218-T222 VanDerWaalsContact O-N 3.11Å; G218-T222 PolarHBondContact O-OG1 2.92Å
219V96.6Very high95.5Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-67.2-52178.2175.40000111.1L215 E217 I221 T222 L223 L294 M297 L298 I301 L351L215-V219 WeakPolarHBondContact O-CG2 3.32Å; L215-V219 PolarHBondContact O-N 2.97Å; L215-V219 VanDerWaalsContact O-N 3.13Å; E217-V219 PolarHBondContact O-N 2.83Å; V219-I221 PolarHBondContact O-N 3.21Å; V219-T222 PolarHBondContact O-N 3.44Å; V219-T222 VanDerWaalsContact O-N 3.16Å; V219-L223 HydrophobicContact CG1-CD1 4.19Å; V219-L223 PolarHBondContact O-N 2.95Å; V219-L294 HydrophobicContact CG1-CB 4.39Å; V219-L294 HydrophobicContact CG1-CD2 4.27Å; V219-M297 HydrophobicContact CG2-CG 4.14Å; V219-M297 HydrophobicContact CG2-SD 3.51Å; V219-M297 VanDerWaalsContact CG2-SD 3.51Å; V219-L298 HydrophobicContact CG1-CB 4.29Å; V219-L298 HydrophobicContact CG1-CD1 4.23Å; V219-I301 HydrophobicContact CG2-CD1 3.71Å; V219-L351 HydrophobicContact CG2-CD1 4.16Å; V219-L351 HydrophobicContact CG2-CD2 3.86Å
220P96.7Very high95.7Very high55 Ų5547.6 Ų47.636%0.35726%0.255SS..Hα-helixtrans-56.5-40.8174.4-29.837000114.9S216 E217 T222 L223 E224 L298S216-P220 VanDerWaalsContact O-CD 3.23Å; S216-P220 WeakPolarHBondContact O-CD 3.25Å; S216-P220 VanDerWaalsContact O-CG 3.26Å; S216-P220 WeakPolarHBondContact O-CG 3.42Å; E217-P220 WeakPolarHBondContact O-CD 3.29Å; P220-T222 VanDerWaalsContact C-N 3.3Å; P220-T222 PolarHBondContact O-N 2.87Å; P220-L223 WeakPolarHBondContact O-CB 3.45Å; P220-L223 PolarHBondContact O-N 3.39Å; P220-E224 PolarHBondContact O-N 2.94Å; P220-L298 HydrophobicContact CG-CD1 4.38Å
221I96.1Very high95.7Very high97 Ų9750.9 Ų50.950%0.49727%0.266SS..Hα-helixtrans-62.4-41.1177.4-68165.6000110.9E217 V219 E224 T225E217-I221 HydrophobicContact CB-CD1 4.49Å; E217-I221 WeakPolarHBondContact O-CD1 3.39Å; E217-I221 VanDerWaalsContact O-CG1 3.24Å; E217-I221 WeakPolarHBondContact O-CG1 3.43Å; E217-I221 PolarHBondContact O-N 3.08Å; V219-I221 PolarHBondContact O-N 3.21Å; I221-E224 PolarHBondContact O-N 3.42Å; I221-T225 PolarHBondContact O-N 3.23Å; I221-T225 VanDerWaalsContact O-N 3.11Å; I221-T225 PolarHBondContact O-OG1 2.63Å
222T95.7Very high95.6Very high15 Ų1554.5 Ų54.59%0.09228%0.281CS..Hα-helixtrans-67.3-40.5176.9-54.30000111G218 V219 P220 T225 I226 L294 L358G218-T222 WeakPolarHBondContact O-CB 3.33Å; G218-T222 PolarHBondContact O-N 2.87Å; G218-T222 VanDerWaalsContact O-N 3.11Å; G218-T222 PolarHBondContact O-OG1 2.92Å; V219-T222 PolarHBondContact O-N 3.44Å; V219-T222 VanDerWaalsContact O-N 3.16Å; P220-T222 VanDerWaalsContact C-N 3.3Å; P220-T222 PolarHBondContact O-N 2.87Å; T222-T225 WeakPolarHBondContact O-CB 3.28Å; T222-T225 PolarHBondContact O-N 2.87Å; T222-I226 HydrophobicContact CG2-CD1 4.24Å; T222-I226 WeakPolarHBondContact O-CG1 3.47Å; T222-I226 PolarHBondContact O-N 3.37Å; T222-L294 HydrophobicContact CG2-CD1 3.81Å; T222-L294 HydrophobicContact CG2-CD2 4.48Å; T222-L358 HydrophobicContact CG2-CD2 4.44Å
223L97.4Very high95.6Very high15 Ų1553.5 Ų53.58%0.07928%0.275CS..Hα-helixtrans-61.9-42.5174.3-83.8170.6000112.4V219 P220 T225 I226 N227 E291 L294V219-L223 HydrophobicContact CG1-CD1 4.19Å; V219-L223 PolarHBondContact O-N 2.95Å; P220-L223 WeakPolarHBondContact O-CB 3.45Å; P220-L223 PolarHBondContact O-N 3.39Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.23Å; L223-I226 PolarHBondContact O-N 2.66Å; L223-N227 WeakPolarHBondContact O-CB 3.43Å; L223-N227 PolarHBondContact O-N 2.93Å; L223-N227 PolarHBondContact O-ND2 2.93Å; L223-E291 HydrophobicContact CD2-CG 4Å; L223-L294 HydrophobicContact CD1-CB 4.34Å; L223-L294 HydrophobicContact CD2-CB 3.61Å; L223-L294 HydrophobicContact CD2-CD1 4.01Å; L223-L294 HydrophobicContact CG-CB 3.83Å; L223-L294 HydrophobicContact CG-CD1 4.14Å
224E97Very high95.5Very high121 Ų12151.2 Ų51.257%0.56527%0.265SS*.Hα-helixtrans-59.1-47175.3-175.6173.8-161.200110.9P220 I221 I226 N227 E228P220-E224 PolarHBondContact O-N 2.94Å; I221-E224 PolarHBondContact O-N 3.42Å; E224-I226 VanDerWaalsContact C-N 3.33Å; E224-I226 PolarHBondContact O-N 2.6Å; E224-N227 PolarHBondContact O-N 3.49Å; E224-E228 WeakPolarHBondContact O-CG 3.36Å; E224-E228 PolarHBondContact O-N 3.49Å
225T95.8Very high95.3Very high61 Ų6149.6 Ų49.637%0.37426%0.256SS..Hα-helixtrans-58.7-44.2176.5-55.40000111.6I221 T222 L223 E228 E229 L358I221-T225 PolarHBondContact O-N 3.23Å; I221-T225 VanDerWaalsContact O-N 3.11Å; I221-T225 PolarHBondContact O-OG1 2.63Å; T222-T225 WeakPolarHBondContact O-CB 3.28Å; T222-T225 PolarHBondContact O-N 2.87Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.23Å; T225-E228 PolarHBondContact O-N 3.3Å; T225-E229 WeakPolarHBondContact O-CG 3.37Å; T225-E229 PolarHBondContact O-N 3.35Å; T225-L358 HydrophobicContact CG2-CD2 4.27Å
226I96.5Very high95Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-65-43.3178.3-74.5171.7000111.3T222 L223 E224 E228 E229 I230 L287 I290 E291 L294 L358T222-I226 HydrophobicContact CG2-CD1 4.24Å; T222-I226 WeakPolarHBondContact O-CG1 3.47Å; T222-I226 PolarHBondContact O-N 3.37Å; L223-I226 PolarHBondContact O-N 2.66Å; E224-I226 VanDerWaalsContact C-N 3.33Å; E224-I226 PolarHBondContact O-N 2.6Å; I226-E228 VanDerWaalsContact C-N 3.3Å; I226-E228 PolarHBondContact O-N 3.26Å; I226-E229 CarbonylContact O-C 3.48Å; I226-E229 PolarHBondContact O-N 3.48Å; I226-E229 VanDerWaalsContact O-N 3.12Å; I226-I230 HydrophobicContact CG2-CD1 3.69Å; I226-I230 HydrophobicContact CG2-CG1 4.16Å; I226-I230 VanDerWaalsContact O-CG1 3.31Å; I226-I230 WeakPolarHBondContact O-CG1 3.34Å; I226-I230 PolarHBondContact O-N 3.36Å; I226-L287 HydrophobicContact CG2-CB 4.26Å; I226-I290 HydrophobicContact CD1-CB 4.18Å; I226-I290 HydrophobicContact CD1-CG2 3.5Å; I226-I290 VanDerWaalsContact CD1-CG2 3.5Å; I226-E291 HydrophobicContact CG2-CB 4.03Å; I226-L294 HydrophobicContact CD1-CD1 3.27Å; I226-L358 HydrophobicContact CD1-CD2 4.19Å; I226-L358 HydrophobicContact CG1-CD1 4.06Å; I226-L358 HydrophobicContact CG1-CD2 3.63Å; I226-L358 HydrophobicContact CG1-CG 4.47Å
227N97.1Very high94.9Very high62 Ų6247.7 Ų47.733%0.33224%0.241SC..Hα-helixtrans-61.4-38.8177.7-79.1-42.5000112.2L223 E224 K231 E291L223-N227 WeakPolarHBondContact O-CB 3.43Å; L223-N227 PolarHBondContact O-N 2.93Å; L223-N227 PolarHBondContact O-ND2 2.93Å; E224-N227 PolarHBondContact O-N 3.49Å; N227-K231 WeakPolarHBondContact O-CG 3.46Å; N227-K231 PolarHBondContact O-N 3.41Å; N227-K231 VanDerWaalsContact O-N 3.11Å; N227-E291 PolarHBondContact OD1-OE1 3.09Å
228E95.5Very high94.8Very high95 Ų9542.7 Ų42.744%0.44422%0.218SC..Hα-helixtrans-64.2-42.9172.1-70.1-174.9172.900112.4E224 T225 I226 K231 K232E224-E228 WeakPolarHBondContact O-CG 3.36Å; E224-E228 PolarHBondContact O-N 3.49Å; T225-E228 PolarHBondContact O-N 3.3Å; I226-E228 VanDerWaalsContact C-N 3.3Å; I226-E228 PolarHBondContact O-N 3.26Å; E228-K231 PolarHBondContact O-N 3.49Å; E228-K232 WeakPolarHBondContact O-CG 3.42Å; E228-K232 PolarHBondContact O-N 2.84Å
229E94.6Very high94.6Very high7 Ų741.7 Ų41.73%0.03321%0.208CC..Hα-helixtrans-69-35.3178.7-69.2-65.4119.700112.5T225 I226 K232 S233 Y283 L287 Q362T225-E229 WeakPolarHBondContact O-CG 3.37Å; T225-E229 PolarHBondContact O-N 3.35Å; I226-E229 CarbonylContact O-C 3.48Å; I226-E229 PolarHBondContact O-N 3.48Å; I226-E229 VanDerWaalsContact O-N 3.12Å; E229-K232 PolarHBondContact O-N 2.95Å; E229-K232 WeakPolarHBondContact OE1-CD 3.49Å; E229-K232 IonicContact OE1-NZ 3.38Å; E229-K232 PolarHBondContact OE1-NZ 3.31Å; E229-S233 VanDerWaalsContact O-CB 3.27Å; E229-S233 WeakPolarHBondContact O-CB 3.4Å; E229-S233 PolarHBondContact O-N 2.92Å; E229-Y283 HydrophobicContact CB-CE1 4.27Å; E229-Y283 PolarHBondContact OE2-OH 3.33Å; E229-L287 HydrophobicContact CB-CD1 3.58Å; E229-Q362 PolarHBondContact OE1-NE2 3.11Å; E229-Q362 PolarHBondContact OE2-NE2 3Å
230I95.7Very high94.4Very high12 Ų1241.8 Ų41.86%0.06221%0.208CC..Hα-helixtrans-60.6-49.2172-72.7171.1000109.7I226 K232 S233 D234 L287 R288 E291I226-I230 HydrophobicContact CG2-CD1 3.69Å; I226-I230 HydrophobicContact CG2-CG1 4.16Å; I226-I230 VanDerWaalsContact O-CG1 3.31Å; I226-I230 WeakPolarHBondContact O-CG1 3.34Å; I226-I230 PolarHBondContact O-N 3.36Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 3.49Å; I230-S233 WeakPolarHBondContact O-CA 3.43Å; I230-S233 VanDerWaalsContact O-CB 3.3Å; I230-S233 WeakPolarHBondContact O-CB 3.48Å; I230-S233 PolarHBondContact O-N 3.02Å; I230-S233 VanDerWaalsContact O-N 3.08Å; I230-D234 WeakPolarHBondContact CG2-OD2 3.48Å; I230-D234 VanDerWaalsContact O-CG 3.29Å; I230-D234 PolarHBondContact O-N 2.75Å; I230-L287 HydrophobicContact CD1-CB 4.1Å; I230-L287 HydrophobicContact CG1-CB 3.57Å; I230-L287 HydrophobicContact CG1-CD1 3.81Å; I230-L287 HydrophobicContact CG1-CG 4.38Å; I230-R288 HydrophobicContact CD1-CG 3.97Å; I230-E291 WeakPolarHBondContact CD1-OE2 3.24Å
231K94.2Very high94.2Very high151 Ų15139.1 Ų39.166%0.65719%0.191SC*.Hα-helixtrans-57.7-44.9177.5-72.9172.1-176.3175.50112.2N227 E228 S233 D234 E235N227-K231 WeakPolarHBondContact O-CG 3.46Å; N227-K231 PolarHBondContact O-N 3.41Å; N227-K231 VanDerWaalsContact O-N 3.11Å; E228-K231 PolarHBondContact O-N 3.49Å; K231-S233 VanDerWaalsContact C-N 3.32Å; K231-S233 PolarHBondContact O-N 3.3Å; K231-D234 PolarHBondContact O-N 3.2Å; K231-E235 VanDerWaalsContact O-CB 3.3Å; K231-E235 WeakPolarHBondContact O-CB 3.37Å; K231-E235 PolarHBondContact O-N 3.43Å
232K92.2Very high93.9Very high90 Ų9035 Ų3539%0.39117%0.171SC..Hα-helixtrans-61.9-41.5175.6-69.4171.3-163.21650111.8E228 E229 I230 L236E228-K232 WeakPolarHBondContact O-CG 3.42Å; E228-K232 PolarHBondContact O-N 2.84Å; E229-K232 PolarHBondContact O-N 2.95Å; E229-K232 WeakPolarHBondContact OE1-CD 3.49Å; E229-K232 IonicContact OE1-NZ 3.38Å; E229-K232 PolarHBondContact OE1-NZ 3.31Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 3.49Å; K232-L236 WeakPolarHBondContact O-CG 3.3Å; K232-L236 PolarHBondContact O-N 2.99Å
233S94.1Very high93.6Very high0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-62.7-47178.4-169.80000111.9E229 I230 K231 L236 A237 A280 G284E229-S233 VanDerWaalsContact O-CB 3.27Å; E229-S233 WeakPolarHBondContact O-CB 3.4Å; E229-S233 PolarHBondContact O-N 2.92Å; I230-S233 WeakPolarHBondContact O-CA 3.43Å; I230-S233 VanDerWaalsContact O-CB 3.3Å; I230-S233 WeakPolarHBondContact O-CB 3.48Å; I230-S233 PolarHBondContact O-N 3.02Å; I230-S233 VanDerWaalsContact O-N 3.08Å; K231-S233 VanDerWaalsContact C-N 3.32Å; K231-S233 PolarHBondContact O-N 3.3Å; S233-L236 PolarHBondContact O-N 3.1Å; S233-A237 WeakPolarHBondContact O-CB 3.3Å; S233-A237 PolarHBondContact O-N 2.86Å; S233-A280 PolarHBondContact OG-O 3.47Å; S233-G284 WeakPolarHBondContact OG-CA 3.36Å; S233-G284 PolarHBondContact OG-N 3.21Å
234D93.3Very high93.3Very high37 Ų3733.8 Ų33.820%0.19816%0.164CC..Hα-helixtrans-69-39.9-179.2-65.3-20.1000111.3I230 K231 A237 A238 R288I230-D234 WeakPolarHBondContact CG2-OD2 3.48Å; I230-D234 VanDerWaalsContact O-CG 3.29Å; I230-D234 PolarHBondContact O-N 2.75Å; K231-D234 PolarHBondContact O-N 3.2Å; D234-A237 PolarHBondContact O-N 3.45Å; D234-A238 WeakPolarHBondContact O-CB 3.19Å; D234-A238 PolarHBondContact O-N 3.48Å; D234-R288 IonicContact OD1-CZ 3.64Å; D234-R288 IonicContact OD1-NH1 3.58Å; D234-R288 PolarHBondContact OD1-NH1 3.41Å; D234-R288 IonicContact OD1-NH2 3.56Å; D234-R288 PolarHBondContact OD1-NH2 3.28Å; D234-R288 IonicContact OD2-CZ 3.5Å; D234-R288 IonicContact OD2-NH1 3.82Å; D234-R288 IonicContact OD2-NH2 3.79Å; D234-R288 PolarHBondContact OD2-NH2 2.91Å
235E91.3Very high92.9Very high42 Ų4230.7 Ų30.720%0.19615%0.151CC..Hα-helixtrans-59.3-49.8173.5-175.2-171-174.400111.7K231 A237 A238 I239 K374 F388K231-E235 VanDerWaalsContact O-CB 3.3Å; K231-E235 WeakPolarHBondContact O-CB 3.37Å; K231-E235 PolarHBondContact O-N 3.43Å; E235-A237 PolarHBondContact O-N 2.94Å; E235-A238 PolarHBondContact O-N 3.26Å; E235-I239 HydrophobicContact CG-CD1 3.89Å; E235-I239 VanDerWaalsContact O-CG1 3.31Å; E235-I239 WeakPolarHBondContact O-CG1 3.4Å; E235-I239 PolarHBondContact O-N 3.25Å; E235-K374 IonicContact OE1-NZ 3.75Å; E235-K374 PolarHBondContact OE1-NZ 3.09Å; E235-K374 IonicContact OE2-NZ 3.67Å; E235-K374 PolarHBondContact OE2-NZ 2.88Å; E235-F388 HydrophobicContact CB-CE1 4.03Å; E235-F388 HydrophobicContact CG-CE1 4.18Å; E235-F388 HydrophobicContact CG-CZ 4.2Å
236L91.2Very high92.3Very high13 Ų1330.3 Ų30.37%0.06814%0.144CC..Hα-helixtrans-65.1-39.8177.8-72.5-174.6000112K232 S233 A238 I239 Y240 A280 F365 G367K232-L236 WeakPolarHBondContact O-CG 3.3Å; K232-L236 PolarHBondContact O-N 2.99Å; S233-L236 PolarHBondContact O-N 3.1Å; L236-A238 VanDerWaalsContact C-N 3.31Å; L236-A238 PolarHBondContact O-N 3.36Å; L236-I239 PolarHBondContact O-N 3.35Å; L236-Y240 HydrophobicContact CB-CD2 4.22Å; L236-Y240 HydrophobicContact CB-CE2 3.85Å; L236-Y240 HydrophobicContact CD1-CE2 4.45Å; L236-Y240 HydrophobicContact CD2-CE2 4.38Å; L236-Y240 HydrophobicContact CG-CE2 4.46Å; L236-Y240 WeakPolarHBondContact O-CB 3.31Å; L236-Y240 WeakPolarHBondContact O-CD2 3.47Å; L236-Y240 VanDerWaalsContact O-CG 3.23Å; L236-Y240 PolarHBondContact O-N 3.11Å; L236-A280 HydrophobicContact CB-CB 4.5Å; L236-F365 HydrophobicContact CD1-CE1 4.19Å; L236-F365 HydrophobicContact CD1-CE2 4.24Å; L236-F365 HydrophobicContact CD1-CZ 3.6Å; L236-G367 VanDerWaalsContact CD1-CA 3.47Å
237A93Very high91.7Very high1 Ų131.1 Ų31.11%0.00815%0.148CC..Hα-helixtrans-59.7-42.7175.100000111.4S233 D234 E235 T241 A280 R281S233-A237 WeakPolarHBondContact O-CB 3.3Å; S233-A237 PolarHBondContact O-N 2.86Å; D234-A237 PolarHBondContact O-N 3.45Å; E235-A237 PolarHBondContact O-N 2.94Å; A237-T241 WeakPolarHBondContact O-CB 3.34Å; A237-T241 PolarHBondContact O-N 3.32Å; A237-T241 PolarHBondContact O-OG1 3.18Å; A237-A280 HydrophobicContact CB-CB 4.01Å; A237-R281 HydrophobicContact CB-CG 4.04Å
238A92.2Very high91Very high1 Ų130 Ų301%0.00815%0.145CC..Hα-helixtrans-63.9-51.3176.700000111.8D234 E235 L236 Y240 T241 S242 V386 F388D234-A238 WeakPolarHBondContact O-CB 3.19Å; D234-A238 PolarHBondContact O-N 3.48Å; E235-A238 PolarHBondContact O-N 3.26Å; L236-A238 VanDerWaalsContact C-N 3.31Å; L236-A238 PolarHBondContact O-N 3.36Å; A238-Y240 PolarHBondContact O-N 2.81Å; A238-T241 PolarHBondContact O-N 3.03Å; A238-S242 PolarHBondContact O-N 3.46Å; A238-S242 PolarHBondContact O-OG 2.82Å; A238-V386 HydrophobicContact CB-CG1 3.9Å; A238-F388 HydrophobicContact CB-CD1 4.1Å; A238-F388 HydrophobicContact CB-CE1 4.4Å; A238-F388 HydrophobicContact CB-CG 4.33Å
239I90.5Very high89.9Confident0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-58.9-50.1179.9-67.5167.2000110.8E235 L236 T241 S242 L243 M377 Y378 V386E235-I239 HydrophobicContact CG-CD1 3.89Å; E235-I239 VanDerWaalsContact O-CG1 3.31Å; E235-I239 WeakPolarHBondContact O-CG1 3.4Å; E235-I239 PolarHBondContact O-N 3.25Å; L236-I239 PolarHBondContact O-N 3.35Å; I239-T241 VanDerWaalsContact C-N 3.33Å; I239-T241 PolarHBondContact O-N 2.95Å; I239-S242 PolarHBondContact O-N 2.87Å; I239-L243 WeakPolarHBondContact O-CB 3.49Å; I239-L243 PolarHBondContact O-N 3.43Å; I239-M377 HydrophobicContact CG2-CB 4.16Å; I239-M377 HydrophobicContact CG2-SD 3.64Å; I239-Y378 HydrophobicContact CD1-CE2 4.39Å; I239-V386 HydrophobicContact CG1-CG1 3.93Å; I239-V386 HydrophobicContact CG1-CG2 4.13Å
240Y91.7Very high88.2Confident2 Ų234.2 Ų34.21%0.00818%0.177CC..Hα-helixtrans-64.9-37.7-179.7-64.7-39.9000112.5L236 A238 F244 L273 V277 V366 S370 W372 M377L236-Y240 HydrophobicContact CB-CD2 4.22Å; L236-Y240 HydrophobicContact CB-CE2 3.85Å; L236-Y240 HydrophobicContact CD1-CE2 4.45Å; L236-Y240 HydrophobicContact CD2-CE2 4.38Å; L236-Y240 HydrophobicContact CG-CE2 4.46Å; L236-Y240 WeakPolarHBondContact O-CB 3.31Å; L236-Y240 WeakPolarHBondContact O-CD2 3.47Å; L236-Y240 VanDerWaalsContact O-CG 3.23Å; L236-Y240 PolarHBondContact O-N 3.11Å; A238-Y240 PolarHBondContact O-N 2.81Å; Y240-F244 VanDerWaalsContact O-CB 3.26Å; Y240-F244 WeakPolarHBondContact O-CB 3.41Å; Y240-F244 PolarHBondContact O-N 3.09Å; Y240-L273 HydrophobicContact CD1-CD2 3.85Å; Y240-V277 VanDerWaalsContact CB-CG2 3.44Å; Y240-V366 HydrophobicContact CE2-CG2 4Å; Y240-S370 PolarHBondContact OH-OG 3.39Å; Y240-W372 AromaticContact CE1-CE3 3.93Å; Y240-W372 HydrophobicContact CE1-CE3 3.93Å; Y240-W372 HydrophobicContact CE1-CZ3 4.06Å; Y240-M377 HydrophobicContact CD1-SD 4.11Å; Y240-M377 HydrophobicContact CE1-CE 3.38Å; Y240-M377 HydrophobicContact CE1-SD 3.49Å; Y240-M377 WeakPolarHBondContact CE1-SD 3.39Å; Y240-M377 VanDerWaalsContact OH-CE 3.25Å; Y240-M377 WeakPolarHBondContact OH-CE 3.33Å
241T92Very high86.8Confident0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-65.1-50.1177-590000110.7A237 A238 I239 L243 F244 L245 L438 V440A237-T241 WeakPolarHBondContact O-CB 3.34Å; A237-T241 PolarHBondContact O-N 3.32Å; A237-T241 PolarHBondContact O-OG1 3.18Å; A238-T241 PolarHBondContact O-N 3.03Å; I239-T241 VanDerWaalsContact C-N 3.33Å; I239-T241 PolarHBondContact O-N 2.95Å; T241-L243 PolarHBondContact O-N 3.03Å; T241-F244 PolarHBondContact O-N 3.11Å; T241-L245 HydrophobicContact CG2-CD1 4.2Å; T241-L245 WeakPolarHBondContact O-CG 3.11Å; T241-L245 PolarHBondContact O-N 2.63Å; T241-L438 HydrophobicContact CG2-CD2 4.49Å; T241-V440 HydrophobicContact CG2-CG2 3.95Å
242S90.8Very high85.3Confident10 Ų1035 Ų357%0.0719%0.191CC..Hα-helixtrans-65-40.4179.5-71.30000112.1A238 I239 L245 K246 E385 I387A238-S242 PolarHBondContact O-N 3.46Å; A238-S242 PolarHBondContact O-OG 2.82Å; I239-S242 PolarHBondContact O-N 2.87Å; S242-L245 PolarHBondContact O-N 3.14Å; S242-K246 WeakPolarHBondContact O-CB 3.39Å; S242-K246 PolarHBondContact O-N 3.14Å; S242-E385 WeakPolarHBondContact CB-O 3.16Å; S242-E385 PolarHBondContact OG-O 3.45Å; S242-I387 PolarHBondContact OG-N 3.17Å
243L88.7Confident84.3Confident0 Ų034.7 Ų34.70%020%0.196CC..Hα-helixtrans-63.7-42176.4-177.757.5000111.5I239 T241 L245 K246 L247 I268 L273 F380I239-L243 WeakPolarHBondContact O-CB 3.49Å; I239-L243 PolarHBondContact O-N 3.43Å; T241-L243 PolarHBondContact O-N 3.03Å; L243-L245 PolarHBondContact O-N 3.28Å; L243-K246 PolarHBondContact O-N 2.76Å; L243-L247 HydrophobicContact CD1-CD1 3.93Å; L243-L247 HydrophobicContact CD1-CG 4.13Å; L243-L247 HydrophobicContact CG-CD1 4.06Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 VanDerWaalsContact O-CG 3.31Å; L243-L247 WeakPolarHBondContact O-CG 3.37Å; L243-L247 PolarHBondContact O-N 3.18Å; L243-I268 HydrophobicContact CD2-CG2 4.02Å; L243-L273 HydrophobicContact CD2-CD1 4.35Å; L243-L273 HydrophobicContact CD2-CD2 3.82Å; L243-L273 HydrophobicContact CG-CD1 4.01Å; L243-L273 HydrophobicContact CG-CD2 4.23Å; L243-F380 HydrophobicContact CD1-CB 3.58Å
244F91Very high83.2Confident5 Ų540 Ų402%0.02223%0.229CC..Hα-helixtrans-58.8-48.1173.9178.4-80.9000111.5Y240 T241 K246 L247 S248 P270 L273 R274 Y435 L438Y240-F244 VanDerWaalsContact O-CB 3.26Å; Y240-F244 WeakPolarHBondContact O-CB 3.41Å; Y240-F244 PolarHBondContact O-N 3.09Å; T241-F244 PolarHBondContact O-N 3.11Å; F244-K246 PolarHBondContact O-N 3.29Å; F244-L247 PolarHBondContact O-N 2.98Å; F244-S248 WeakPolarHBondContact CE1-OG 3.41Å; F244-S248 WeakPolarHBondContact O-CB 3.45Å; F244-S248 PolarHBondContact O-N 3.44Å; F244-S248 PolarHBondContact O-OG 3.22Å; F244-P270 HydrophobicContact CD2-CB 4.25Å; F244-P270 WeakPolarHBondContact CD2-O 3.42Å; F244-P270 HydrophobicContact CE2-CB 3.75Å; F244-P270 VanDerWaalsContact CE2-O 3.28Å; F244-P270 WeakPolarHBondContact CE2-O 3.17Å; F244-L273 HydrophobicContact CB-CB 4.28Å; F244-L273 HydrophobicContact CB-CD1 4.33Å; F244-L273 HydrophobicContact CD2-CB 4.12Å; F244-R274 HydrophobicContact CD2-CB 4.46Å; F244-R274 HydrophobicContact CE2-CB 4.24Å; F244-Y435 AromaticContact CE1-CD1 3.77Å; F244-Y435 HydrophobicContact CE1-CD1 3.77Å; F244-Y435 AromaticContact CE1-CG 3.81Å; F244-Y435 HydrophobicContact CE1-CG 3.81Å; F244-Y435 HydrophobicContact CZ-CD1 4.46Å; F244-Y435 HydrophobicContact CZ-CG 4.5Å; F244-L438 HydrophobicContact CB-CD1 4.22Å; F244-L438 HydrophobicContact CD1-CD1 3.83Å; F244-L438 HydrophobicContact CD1-CD2 3.51Å; F244-L438 HydrophobicContact CD1-CG 4.18Å; F244-L438 HydrophobicContact CD2-CD1 4.3Å; F244-L438 HydrophobicContact CE1-CB 4.33Å; F244-L438 HydrophobicContact CE1-CD1 4.3Å; F244-L438 HydrophobicContact CE1-CD2 3.77Å; F244-L438 HydrophobicContact CE1-CG 4.36Å; F244-L438 HydrophobicContact CG-CD1 3.85Å; F244-L438 HydrophobicContact CG-CD2 4.35Å
245L88.6Confident82.1Confident56 Ų5644.1 Ų44.129%0.29325%0.251SS..Hα-helixtrans-63.5-41.4-179-69.7172.9000111.5T241 S242 L243 S248 T249 Y435 L438T241-L245 HydrophobicContact CG2-CD1 4.2Å; T241-L245 WeakPolarHBondContact O-CG 3.11Å; T241-L245 PolarHBondContact O-N 2.63Å; S242-L245 PolarHBondContact O-N 3.14Å; L243-L245 PolarHBondContact O-N 3.28Å; L245-S248 PolarHBondContact O-N 3.02Å; L245-T249 PolarHBondContact O-N 3.44Å; L245-Y435 HydrophobicContact CD2-CD2 4.25Å; L245-Y435 HydrophobicContact CD2-CE1 4.24Å; L245-Y435 HydrophobicContact CD2-CE2 3.61Å; L245-L438 HydrophobicContact CD2-CD2 3.91Å; L245-L438 HydrophobicContact CG-CD2 4.3Å
246K84.4Confident81.1Confident52 Ų5243.2 Ų43.223%0.22625%0.248CC..Hα-helixtrans-61.4-44.8176.8-172171.7-174.81750112.3S242 L243 F244 S248 T249 F380 E385S242-K246 WeakPolarHBondContact O-CB 3.39Å; S242-K246 PolarHBondContact O-N 3.14Å; L243-K246 PolarHBondContact O-N 2.76Å; F244-K246 PolarHBondContact O-N 3.29Å; K246-S248 VanDerWaalsContact C-N 3.33Å; K246-T249 WeakPolarHBondContact O-CG2 3.49Å; K246-T249 PolarHBondContact O-OG1 2.82Å; K246-F380 WeakPolarHBondContact CD-O 3.46Å; K246-F380 WeakPolarHBondContact CE-O 3.36Å; K246-F380 PolarHBondContact NZ-O 3.4Å; K246-E385 WeakPolarHBondContact CE-OE1 3.37Å; K246-E385 VanDerWaalsContact NZ-CD 3.29Å; K246-E385 IonicContact NZ-OE1 3.42Å; K246-E385 PolarHBondContact NZ-OE1 3.23Å; K246-E385 IonicContact NZ-OE2 3.15Å; K246-E385 PolarHBondContact NZ-OE2 3.14Å
247L83.8Confident80.3Confident18 Ų1848.8 Ų48.89%0.09427%0.272CS..Hα-helixtrans-76.6-19.3-179.8-64.8176000113.6L243 F244 I260 A263 I268 L273L243-L247 HydrophobicContact CD1-CD1 3.93Å; L243-L247 HydrophobicContact CD1-CG 4.13Å; L243-L247 HydrophobicContact CG-CD1 4.06Å; L243-L247 WeakPolarHBondContact O-CB 3.37Å; L243-L247 VanDerWaalsContact O-CG 3.31Å; L243-L247 WeakPolarHBondContact O-CG 3.37Å; L243-L247 PolarHBondContact O-N 3.18Å; F244-L247 PolarHBondContact O-N 2.98Å; L247-I260 HydrophobicContact CD2-CG1 3.82Å; L247-A263 HydrophobicContact CD1-CB 4.21Å; L247-A263 HydrophobicContact CD2-CB 4.33Å; L247-I268 HydrophobicContact CD1-CG2 3.89Å; L247-L273 HydrophobicContact CD1-CD1 3.84Å
248S81.4Confident79.3Confident37 Ų3753.1 Ų53.126%0.25930%0.299SS..THydrogen-bonded Turntrans-95.711.6-179.5-55.50000113.6F244 L245 K246F244-S248 WeakPolarHBondContact CE1-OG 3.41Å; F244-S248 WeakPolarHBondContact O-CB 3.45Å; F244-S248 PolarHBondContact O-N 3.44Å; F244-S248 PolarHBondContact O-OG 3.22Å; L245-S248 PolarHBondContact O-N 3.02Å; K246-S248 VanDerWaalsContact C-N 3.33Å
249T72.3Confident78.6Confident66 Ų6654.7 Ų54.741%0.40531%0.307SS..  trans-62.7134.9177.447.70000111.5L245 K246L245-T249 PolarHBondContact O-N 3.44Å; K246-T249 WeakPolarHBondContact O-CG2 3.49Å; K246-T249 PolarHBondContact O-OG1 2.82Å
250V60.3Low78Confident125 Ų12556.5 Ų56.576%0.75832%0.316SS*.SBendtrans-71.7-34.8-174.4-179.30000112.1P252V250-P252 WeakPolarHBondContact O-CD 3.28Å
251D64.9Low77.4Confident150 Ų15063 Ų6380%0.80234%0.344SS*.SBendtrans-113.274.4176.8-71.8-41.7000111.3T253D251-T253 PolarHBondContact O-N 3.11Å
252P63.3Low76.8Confident30 Ų3064.9 Ų64.920%0.19536%0.358CS..  trans-69.5125179.626.5-31.2000109.9V250 V256 K257 I260V250-P252 WeakPolarHBondContact O-CD 3.28Å; P252-V256 HydrophobicContact CB-CB 3.86Å; P252-V256 HydrophobicContact CB-CG1 3.62Å; P252-K257 HydrophobicContact CB-CG 3.93Å; P252-K257 HydrophobicContact CG-CG 3.88Å; P252-K257 WeakPolarHBondContact O-CE 3.2Å; P252-I260 HydrophobicContact CB-CD1 4.18Å
253T71.7Confident76.3Confident83 Ų8364.5 Ų64.551%0.50936%0.355SS..  trans-57.6162.6168.662.70000110.3D251 D255 V256 K257D251-T253 PolarHBondContact O-N 3.11Å; T253-D255 PolarHBondContact O-N 3.46Å; T253-D255 VanDerWaalsContact O-N 3.15Å; T253-V256 PolarHBondContact O-N 3.13Å; T253-V256 WeakPolarHBondContact OG1-CG2 3.33Å; T253-V256 PolarHBondContact OG1-N 3.06Å; T253-K257 PolarHBondContact O-N 2.96Å
254T70.4Confident76Confident113 Ų11370.8 Ų70.869%0.69338%0.382SS*.Hα-helixtrans-51.8-39.3178.2-520000111.8K257 T258T254-K257 PolarHBondContact O-N 3.4Å; T254-T258 PolarHBondContact O-N 2.82Å; T254-T258 PolarHBondContact O-OG1 2.9Å
255D69.8Low75.5Confident123 Ų12377.3 Ų77.366%0.65841%0.412SS*.Hα-helixtrans-65.5-42.5177.5-56-32.1000112.3T253 K257 T258 L259T253-D255 PolarHBondContact O-N 3.46Å; T253-D255 VanDerWaalsContact O-N 3.15Å; D255-K257 VanDerWaalsContact C-N 3.34Å; D255-K257 PolarHBondContact O-N 2.96Å; D255-T258 WeakPolarHBondContact CA-OG1 3.36Å; D255-T258 PolarHBondContact O-N 3.21Å; D255-T258 PolarHBondContact O-OG1 3.25Å; D255-L259 WeakPolarHBondContact O-CB 3.18Å; D255-L259 PolarHBondContact O-N 3.38Å
256V70.8Confident75.1Confident23 Ų2377.7 Ų77.714%0.13941%0.414CS..Hα-helixtrans-67.5-34.9177.2177.10000111.1P252 T253 L259 I260P252-V256 HydrophobicContact CB-CB 3.86Å; P252-V256 HydrophobicContact CB-CG1 3.62Å; T253-V256 PolarHBondContact O-N 3.13Å; T253-V256 WeakPolarHBondContact OG1-CG2 3.33Å; T253-V256 PolarHBondContact OG1-N 3.06Å; V256-L259 WeakPolarHBondContact O-CB 3.44Å; V256-L259 PolarHBondContact O-N 2.85Å; V256-I260 HydrophobicContact CG1-CD1 3.91Å; V256-I260 HydrophobicContact CG1-CG1 4.27Å; V256-I260 VanDerWaalsContact O-CG1 3.26Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.47Å
257K74.6Confident74.8Confident130 Ų13078.3 Ų78.357%0.56542%0.419SS*.Hα-helixtrans-63.8-42.2175.2-71.2-179.2-178.4173.10112.4P252 T253 T254 D255 L259 I260 K261P252-K257 HydrophobicContact CB-CG 3.93Å; P252-K257 HydrophobicContact CG-CG 3.88Å; P252-K257 WeakPolarHBondContact O-CE 3.2Å; T253-K257 PolarHBondContact O-N 2.96Å; T254-K257 PolarHBondContact O-N 3.4Å; D255-K257 VanDerWaalsContact C-N 3.34Å; D255-K257 PolarHBondContact O-N 2.96Å; K257-L259 VanDerWaalsContact C-N 3.28Å; K257-I260 PolarHBondContact O-N 3.25Å; K257-K261 PolarHBondContact O-N 3.4Å
258T73.1Confident74.8Confident92 Ų9277.5 Ų77.556%0.56442%0.415SS*.Hα-helixtrans-64.2-37.6173.842.70000111.6T254 D255 K261 S262T254-T258 PolarHBondContact O-N 2.82Å; T254-T258 PolarHBondContact O-OG1 2.9Å; D255-T258 WeakPolarHBondContact CA-OG1 3.36Å; D255-T258 PolarHBondContact O-N 3.21Å; D255-T258 PolarHBondContact O-OG1 3.25Å; T258-K261 PolarHBondContact O-N 2.85Å; T258-S262 PolarHBondContact O-N 3.23Å; T258-S262 VanDerWaalsContact O-N 3.13Å; T258-S262 PolarHBondContact O-OG 3.31Å
259L76.4Confident75.1Confident34 Ų3477.2 Ų77.218%0.17841%0.412CS..Hα-helixtrans-66.3-40.7177.3-167.767.1000112.8D255 V256 K257 K261 S262 A263 F380D255-L259 WeakPolarHBondContact O-CB 3.18Å; D255-L259 PolarHBondContact O-N 3.38Å; V256-L259 WeakPolarHBondContact O-CB 3.44Å; V256-L259 PolarHBondContact O-N 2.85Å; K257-L259 VanDerWaalsContact C-N 3.28Å; L259-K261 VanDerWaalsContact C-N 3.27Å; L259-K261 PolarHBondContact O-N 3.11Å; L259-S262 PolarHBondContact O-N 3.43Å; L259-S262 PolarHBondContact O-OG 3Å; L259-A263 VanDerWaalsContact O-CB 3.24Å; L259-A263 WeakPolarHBondContact O-CB 3.25Å; L259-A263 PolarHBondContact O-N 3.32Å; L259-F380 HydrophobicContact CD1-CB 4.33Å; L259-F380 HydrophobicContact CD1-CD1 3.23Å; L259-F380 HydrophobicContact CD1-CE1 3.76Å; L259-F380 HydrophobicContact CD1-CG 4.09Å; L259-F380 HydrophobicContact CD2-CB 4.47Å; L259-F380 HydrophobicContact CD2-CD1 4.38Å; L259-F380 HydrophobicContact CG-CD1 3.6Å; L259-F380 HydrophobicContact CG-CE1 4.31Å
260I77.8Confident75.8Confident38 Ų3876 Ų7620%0.19541%0.405CS..Hα-helixtrans-62.4-37.1174.8-70.4163.2000110.7L247 P252 V256 K257 K264L247-I260 HydrophobicContact CD2-CG1 3.82Å; P252-I260 HydrophobicContact CB-CD1 4.18Å; V256-I260 HydrophobicContact CG1-CD1 3.91Å; V256-I260 HydrophobicContact CG1-CG1 4.27Å; V256-I260 VanDerWaalsContact O-CG1 3.26Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.47Å; K257-I260 PolarHBondContact O-N 3.25Å; I260-K264 HydrophobicContact CG2-CD 4.31Å; I260-K264 WeakPolarHBondContact O-CG 3.24Å; I260-K264 PolarHBondContact O-N 3.44Å
261K79.4Confident77.1Confident137 Ų13775.4 Ų75.460%0.59639%0.394SS*.Hα-helixtrans-67.4-48178.7-169.7-175.5173.7-169.10111.3K257 T258 L259 A263 K264 E265K257-K261 PolarHBondContact O-N 3.4Å; T258-K261 PolarHBondContact O-N 2.85Å; L259-K261 VanDerWaalsContact C-N 3.27Å; L259-K261 PolarHBondContact O-N 3.11Å; K261-A263 VanDerWaalsContact C-N 3.31Å; K261-A263 PolarHBondContact O-N 2.91Å; K261-K264 PolarHBondContact O-N 3.25Å; K261-E265 WeakPolarHBondContact CE-OE1 3.23Å; K261-E265 WeakPolarHBondContact O-CG 3.36Å; K261-E265 PolarHBondContact O-N 3.31Å; K261-E265 VanDerWaalsContact O-N 3.13Å
262S79.5Confident78.2Confident41 Ų4169.6 Ų69.629%0.28736%0.363SS..Hα-helixtrans-65.4-34.9176.653.30000112.4T258 L259 E265 M266 F380T258-S262 PolarHBondContact O-N 3.23Å; T258-S262 VanDerWaalsContact O-N 3.13Å; T258-S262 PolarHBondContact O-OG 3.31Å; L259-S262 PolarHBondContact O-N 3.43Å; L259-S262 PolarHBondContact O-OG 3Å; S262-E265 PolarHBondContact O-N 2.87Å; S262-M266 PolarHBondContact O-N 3.39Å; S262-F380 WeakPolarHBondContact OG-CE1 3.38Å
263A81Confident79.5Confident1 Ų168.2 Ų68.21%0.00835%0.354CS..Hα-helixtrans-61.5-45.4173.900000111.6L247 L259 K261 E265 M266 D267 I268 F380L247-A263 HydrophobicContact CD1-CB 4.21Å; L247-A263 HydrophobicContact CD2-CB 4.33Å; L259-A263 VanDerWaalsContact O-CB 3.24Å; L259-A263 WeakPolarHBondContact O-CB 3.25Å; L259-A263 PolarHBondContact O-N 3.32Å; K261-A263 VanDerWaalsContact C-N 3.31Å; K261-A263 PolarHBondContact O-N 2.91Å; A263-E265 VanDerWaalsContact C-N 3.31Å; A263-E265 PolarHBondContact O-N 2.87Å; A263-M266 CarbonylContact O-C 3.43Å; A263-M266 WeakPolarHBondContact O-CA 3.26Å; A263-M266 PolarHBondContact O-N 2.85Å; A263-D267 PolarHBondContact O-N 2.94Å; A263-I268 HydrophobicContact CB-CB 3.99Å; A263-I268 HydrophobicContact CB-CG2 4.22Å; A263-I268 WeakPolarHBondContact O-CB 3.46Å; A263-I268 PolarHBondContact O-N 2.9Å; A263-F380 HydrophobicContact CB-CD1 4.04Å; A263-F380 HydrophobicContact CB-CE1 3.73Å; A263-F380 HydrophobicContact CB-CZ 4.37Å
264K80.7Confident80.5Confident133 Ų13365.3 Ų65.358%0.57833%0.334SS*.Hα-helixtrans-62.8-35.8176.4-75.7178.1179.8-1750113I260 K261 M266 D267I260-K264 HydrophobicContact CG2-CD 4.31Å; I260-K264 WeakPolarHBondContact O-CG 3.24Å; I260-K264 PolarHBondContact O-N 3.44Å; K261-K264 PolarHBondContact O-N 3.25Å; K264-M266 PolarHBondContact O-N 2.92Å; K264-D267 PolarHBondContact O-N 3.34Å
265E80.9Confident81.6Confident141 Ų14160.4 Ų60.466%0.65930%0.304SS*.Hα-helixtrans-64.6-22.7174.7-70.8169.8-171.300112.2K261 S262 A263K261-E265 WeakPolarHBondContact CE-OE1 3.23Å; K261-E265 WeakPolarHBondContact O-CG 3.36Å; K261-E265 PolarHBondContact O-N 3.31Å; K261-E265 VanDerWaalsContact O-N 3.13Å; S262-E265 PolarHBondContact O-N 2.87Å; A263-E265 VanDerWaalsContact C-N 3.31Å; A263-E265 PolarHBondContact O-N 2.87Å
266M80.3Confident82.7Confident64 Ų6454.7 Ų54.732%0.31527%0.274SS..THydrogen-bonded Turntrans-10015.2176.7-63.3-177.869.600113.9S262 A263 K264 I268 W372 Q376 F380S262-M266 PolarHBondContact O-N 3.39Å; A263-M266 CarbonylContact O-C 3.43Å; A263-M266 WeakPolarHBondContact O-CA 3.26Å; A263-M266 PolarHBondContact O-N 2.85Å; K264-M266 PolarHBondContact O-N 2.92Å; M266-I268 HydrophobicContact CB-CD1 4.12Å; M266-I268 HydrophobicContact CB-CG1 4.15Å; M266-I268 PolarHBondContact O-N 3.27Å; M266-I268 VanDerWaalsContact O-N 3.15Å; M266-W372 PolarHBondContact O-NE1 3.46Å; M266-Q376 HydrophobicContact CE-CB 3.88Å; M266-Q376 HydrophobicContact CE-CG 3.7Å; M266-F380 HydrophobicContact SD-CE2 3.83Å; M266-F380 HydrophobicContact SD-CZ 3.7Å
267D79.3Confident83.8Confident65 Ų6553.6 Ų53.635%0.34827%0.268SS..THydrogen-bonded Turntrans63.311.6-176.1-164.935.5000114.3A263 K264 T269 N272 K371 W372A263-D267 PolarHBondContact O-N 2.94Å; K264-D267 PolarHBondContact O-N 3.34Å; D267-T269 PolarHBondContact O-N 3.44Å; D267-N272 PolarHBondContact O-ND2 3.38Å; D267-N272 PolarHBondContact OD1-ND2 3.49Å; D267-N272 PolarHBondContact OD2-ND2 3.02Å; D267-N272 VanDerWaalsContact OD2-ND2 3.17Å; D267-K371 IonicContact OD2-NZ 3.29Å; D267-K371 PolarHBondContact OD2-NZ 3.18Å; D267-W372 VanDerWaalsContact O-CZ2 3.27Å; D267-W372 WeakPolarHBondContact O-CZ2 3.19Å
268I83.9Confident84.7Confident2 Ų247.5 Ų47.51%0.0124%0.241CC..  trans-76.678.4174.4-56.3171.1000108L243 L247 A263 M266 L273 W372 F380L243-I268 HydrophobicContact CD2-CG2 4.02Å; L247-I268 HydrophobicContact CD1-CG2 3.89Å; A263-I268 HydrophobicContact CB-CB 3.99Å; A263-I268 HydrophobicContact CB-CG2 4.22Å; A263-I268 WeakPolarHBondContact O-CB 3.46Å; A263-I268 PolarHBondContact O-N 2.9Å; M266-I268 HydrophobicContact CB-CD1 4.12Å; M266-I268 HydrophobicContact CB-CG1 4.15Å; M266-I268 PolarHBondContact O-N 3.27Å; M266-I268 VanDerWaalsContact O-N 3.15Å; I268-L273 HydrophobicContact CG2-CD1 3.76Å; I268-L273 HydrophobicContact CG2-CD2 4.14Å; I268-L273 HydrophobicContact CG2-CG 4.03Å; I268-W372 HydrophobicContact CB-CZ2 4.28Å; I268-W372 HydrophobicContact CG1-CD2 3.88Å; I268-W372 HydrophobicContact CG1-CG 4.2Å; I268-W372 HydrophobicContact CG1-CH2 4.46Å; I268-W372 HydrophobicContact CG1-CZ2 3.86Å; I268-F380 HydrophobicContact CD1-CD2 3.93Å; I268-F380 HydrophobicContact CD1-CE2 3.61Å; I268-F380 HydrophobicContact CD1-CZ 4.13Å
269T86.1Confident85.8Confident30 Ų3043.1 Ų43.118%0.18421%0.214CC..  trans-98.3152.7178.161.60000110.7D267 E271 N272 L273D267-T269 PolarHBondContact O-N 3.44Å; T269-E271 WeakPolarHBondContact CB-OE2 3.49Å; T269-E271 PolarHBondContact O-N 3.22Å; T269-N272 PolarHBondContact O-N 2.85Å; T269-N272 WeakPolarHBondContact OG1-CB 3.15Å; T269-N272 PolarHBondContact OG1-N 2.88Å; T269-N272 PolarHBondContact OG1-ND2 2.95Å; T269-L273 WeakPolarHBondContact O-CB 3.48Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 2.93Å
270P87.1Confident86.6Confident41 Ų4141.5 Ų41.527%0.26621%0.206SC..Hα-helixtrans-55.2-32.1172.9-25.935.4000113.1F244 R274F244-P270 HydrophobicContact CD2-CB 4.25Å; F244-P270 WeakPolarHBondContact CD2-O 3.42Å; F244-P270 HydrophobicContact CE2-CB 3.75Å; F244-P270 VanDerWaalsContact CE2-O 3.28Å; F244-P270 WeakPolarHBondContact CE2-O 3.17Å; P270-R274 WeakPolarHBondContact O-CB 3.2Å; P270-R274 PolarHBondContact O-N 3.5Å; P270-R274 VanDerWaalsContact O-N 3.09Å
271E88.4Confident87.5Confident113 Ų11340.8 Ų40.853%0.52820%0.201SC..Hα-helixtrans-67.5-50.9177-64.469.7-149.600111.6T269 R274 A275T269-E271 WeakPolarHBondContact CB-OE2 3.49Å; T269-E271 PolarHBondContact O-N 3.22Å; E271-R274 PolarHBondContact O-N 3.42Å; E271-A275 WeakPolarHBondContact O-CB 3.45Å; E271-A275 PolarHBondContact O-N 3.15Å
272N88.6Confident88.2Confident28 Ų2834.4 Ų34.415%0.1517%0.173CC..Hα-helixtrans-66.5-39.5179.4-74.3-26.5000112D267 T269 A275 S276 W372D267-N272 PolarHBondContact O-ND2 3.38Å; D267-N272 PolarHBondContact OD1-ND2 3.49Å; D267-N272 PolarHBondContact OD2-ND2 3.02Å; D267-N272 VanDerWaalsContact OD2-ND2 3.17Å; T269-N272 PolarHBondContact O-N 2.85Å; T269-N272 WeakPolarHBondContact OG1-CB 3.15Å; T269-N272 PolarHBondContact OG1-N 2.88Å; T269-N272 PolarHBondContact OG1-ND2 2.95Å; N272-A275 PolarHBondContact O-N 3.46Å; N272-S276 WeakPolarHBondContact O-CB 3.27Å; N272-S276 PolarHBondContact O-N 2.93Å; N272-S276 PolarHBondContact O-OG 3.23Å; N272-W372 HydrophobicContact CB-CH2 3.8Å; N272-W372 HydrophobicContact CB-CZ2 4.28Å
273L90.3Very high89Confident0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-62-46.1176-75.7173000111.3Y240 L243 F244 L247 I268 T269 S276 V277 W372Y240-L273 HydrophobicContact CD1-CD2 3.85Å; L243-L273 HydrophobicContact CD2-CD1 4.35Å; L243-L273 HydrophobicContact CD2-CD2 3.82Å; L243-L273 HydrophobicContact CG-CD1 4.01Å; L243-L273 HydrophobicContact CG-CD2 4.23Å; F244-L273 HydrophobicContact CB-CB 4.28Å; F244-L273 HydrophobicContact CB-CD1 4.33Å; F244-L273 HydrophobicContact CD2-CB 4.12Å; L247-L273 HydrophobicContact CD1-CD1 3.84Å; I268-L273 HydrophobicContact CG2-CD1 3.76Å; I268-L273 HydrophobicContact CG2-CD2 4.14Å; I268-L273 HydrophobicContact CG2-CG 4.03Å; T269-L273 WeakPolarHBondContact O-CB 3.48Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 2.93Å; L273-S276 WeakPolarHBondContact O-CB 3.25Å; L273-S276 PolarHBondContact O-N 3.13Å; L273-V277 WeakPolarHBondContact O-CG2 3.34Å; L273-V277 PolarHBondContact O-N 2.87Å; L273-W372 HydrophobicContact CD2-CH2 4.28Å; L273-W372 HydrophobicContact CD2-CZ3 3.8Å
274R92.5Very high89.7Confident23 Ų2332.4 Ų32.49%0.08716%0.159CC..Hα-helixtrans-60.4-48.6177.3-172.2-171.7-39.5162.819111.6F244 P270 E271 S276 V277 V278 Y435 Q436F244-R274 HydrophobicContact CD2-CB 4.46Å; F244-R274 HydrophobicContact CE2-CB 4.24Å; P270-R274 WeakPolarHBondContact O-CB 3.2Å; P270-R274 PolarHBondContact O-N 3.5Å; P270-R274 VanDerWaalsContact O-N 3.09Å; E271-R274 PolarHBondContact O-N 3.42Å; R274-S276 PolarHBondContact O-N 3.08Å; R274-V277 PolarHBondContact O-N 3.42Å; R274-V278 WeakPolarHBondContact O-CG2 3.41Å; R274-V278 PolarHBondContact O-N 3Å; R274-Y435 PolarHBondContact NE-O 3.37Å; R274-Q436 WeakPolarHBondContact CD-O 3.45Å; R274-Q436 VanDerWaalsContact NH1-CB 3.33Å; R274-Q436 PolarHBondContact NH1-O 2.86Å
275A92.4Very high90.4Very high9 Ų928.5 Ų28.57%0.07414%0.142CC..Hα-helixtrans-61-35.7176.900000111.8P76 E271 N272 V278 N279P76-A275 HydrophobicContact CB-CB 3.81Å; P76-A275 HydrophobicContact CG-CB 4.37Å; E271-A275 WeakPolarHBondContact O-CB 3.45Å; E271-A275 PolarHBondContact O-N 3.15Å; N272-A275 PolarHBondContact O-N 3.46Å; A275-V278 PolarHBondContact O-N 3.27Å; A275-N279 PolarHBondContact O-N 2.85Å
276S92.5Very high91.1Very high4 Ų422.7 Ų22.73%0.02811%0.114CC..Hα-helixtrans-68.8-38.9175.8-56.20000112.9P76 N272 L273 R274 V278 N279 A280P76-S276 WeakPolarHBondContact CG-OG 3.41Å; N272-S276 WeakPolarHBondContact O-CB 3.27Å; N272-S276 PolarHBondContact O-N 2.93Å; N272-S276 PolarHBondContact O-OG 3.23Å; L273-S276 WeakPolarHBondContact O-CB 3.25Å; L273-S276 PolarHBondContact O-N 3.13Å; R274-S276 PolarHBondContact O-N 3.08Å; S276-V278 VanDerWaalsContact C-N 3.35Å; S276-N279 PolarHBondContact O-N 3.19Å; S276-A280 WeakPolarHBondContact O-CB 3.46Å; S276-A280 PolarHBondContact O-N 3.11Å
277V94Very high91.9Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-60.5-45.8172.2173.20000110.4Y240 L273 R274 A280 R281 L438 L439Y240-V277 VanDerWaalsContact CB-CG2 3.44Å; L273-V277 WeakPolarHBondContact O-CG2 3.34Å; L273-V277 PolarHBondContact O-N 2.87Å; R274-V277 PolarHBondContact O-N 3.42Å; V277-A280 PolarHBondContact O-N 3.36Å; V277-R281 HydrophobicContact CG1-CG 4.34Å; V277-R281 WeakPolarHBondContact O-CB 3.47Å; V277-R281 WeakPolarHBondContact O-CG 3.45Å; V277-R281 PolarHBondContact O-N 3.06Å; V277-L438 HydrophobicContact CB-CD1 4.47Å; V277-L438 HydrophobicContact CG1-CD1 4.45Å; V277-L438 HydrophobicContact CG2-CD1 4.12Å; V277-L439 HydrophobicContact CG1-CB 4.37Å
278V95Very high92.7Very high2 Ų221.4 Ų21.41%0.01210%0.101CC..Hα-helixtrans-63.2-44.5179.1-178.90000110.6T80 R274 A275 S276 R281 Q282 L439 E489 L490T80-V278 HydrophobicContact CG2-CG1 4.07Å; R274-V278 WeakPolarHBondContact O-CG2 3.41Å; R274-V278 PolarHBondContact O-N 3Å; A275-V278 PolarHBondContact O-N 3.27Å; S276-V278 VanDerWaalsContact C-N 3.35Å; V278-R281 PolarHBondContact O-N 2.71Å; V278-Q282 VanDerWaalsContact O-CB 3.23Å; V278-Q282 WeakPolarHBondContact O-CB 3.38Å; V278-Q282 PolarHBondContact O-N 2.75Å; V278-L439 HydrophobicContact CB-CD1 4.4Å; V278-L439 HydrophobicContact CG1-CD1 4.23Å; V278-L439 HydrophobicContact CG2-CD1 3.92Å; V278-L439 HydrophobicContact CG2-CG 4.13Å; V278-E489 HydrophobicContact CG1-CB 4.45Å; V278-E489 HydrophobicContact CG1-CG 4Å; V278-L490 HydrophobicContact CG1-CD2 3.97Å; V278-L490 HydrophobicContact CG2-CD2 3.6Å
279N95.2Very high93.2Very high0 Ų024.4 Ų24.40%012%0.117CC..Hα-helixtrans-58.8-51.3176.7-175.6-89.4000111.9T80 A275 S276 R281 Q282 Y283 Y364 V366T80-N279 PolarHBondContact N-ND2 2.99Å; T80-N279 VanDerWaalsContact OG1-CA 3.25Å; T80-N279 WeakPolarHBondContact OG1-CA 3.49Å; T80-N279 WeakPolarHBondContact OG1-CB 3.47Å; T80-N279 PolarHBondContact OG1-ND2 3.45Å; A275-N279 PolarHBondContact O-N 2.85Å; S276-N279 PolarHBondContact O-N 3.19Å; N279-R281 PolarHBondContact O-N 3.39Å; N279-Q282 PolarHBondContact O-N 3.3Å; N279-Y283 WeakPolarHBondContact O-CB 3.48Å; N279-Y283 PolarHBondContact O-N 2.91Å; N279-Y364 PolarHBondContact ND2-O 2.86Å; N279-V366 HydrophobicContact CB-CG1 3.68Å; N279-V366 HydrophobicContact CB-CG2 4.26Å; N279-V366 VanDerWaalsContact CG-CG1 3.49Å; N279-V366 WeakPolarHBondContact OD1-CG1 3.49Å; N279-V366 WeakPolarHBondContact OD1-CG2 3.39Å; N279-V366 PolarHBondContact OD1-N 2.93Å
280A94.4Very high93.6Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-60.5-47.1-18000000111S233 L236 A237 S276 V277 Q282 Y283 G284 F365S233-A280 PolarHBondContact OG-O 3.47Å; L236-A280 HydrophobicContact CB-CB 4.5Å; A237-A280 HydrophobicContact CB-CB 4.01Å; S276-A280 WeakPolarHBondContact O-CB 3.46Å; S276-A280 PolarHBondContact O-N 3.11Å; V277-A280 PolarHBondContact O-N 3.36Å; A280-Q282 PolarHBondContact O-N 2.78Å; A280-Y283 PolarHBondContact O-N 2.97Å; A280-G284 PolarHBondContact O-N 2.85Å; A280-F365 HydrophobicContact CB-CE2 4.34Å
281R95.4Very high94.1Very high23 Ų2323.3 Ų23.39%0.08711%0.106CC..Hα-helixtrans-64.6-38.4177.8-70.9-178.2-179.7-75.5-10.4112.8A237 V277 V278 N279 K285 D389 L439 I493A237-R281 HydrophobicContact CB-CG 4.04Å; V277-R281 HydrophobicContact CG1-CG 4.34Å; V277-R281 WeakPolarHBondContact O-CB 3.47Å; V277-R281 WeakPolarHBondContact O-CG 3.45Å; V277-R281 PolarHBondContact O-N 3.06Å; V278-R281 PolarHBondContact O-N 2.71Å; N279-R281 PolarHBondContact O-N 3.39Å; R281-K285 WeakPolarHBondContact O-CB 3.35Å; R281-K285 PolarHBondContact O-N 3.47Å; R281-D389 IonicContact CZ-OD2 2.75Å; R281-D389 IonicContact NH1-OD2 2.76Å; R281-D389 PolarHBondContact NH1-OD2 3.4Å; R281-D389 IonicContact NH2-OD1 2.69Å; R281-D389 PolarHBondContact NH2-OD1 3.37Å; R281-D389 IonicContact NH2-OD2 2.74Å; R281-D389 PolarHBondContact NH2-OD2 2.97Å; R281-L439 PolarHBondContact NE-O 3.11Å; R281-L439 PolarHBondContact NH2-O 3.5Å; R281-I493 HydrophobicContact CB-CD1 4.11Å
282Q95.3Very high94.5Very high3 Ų321.1 Ų21.11%0.01410%0.102CC..Hα-helixtrans-65.8-42.9177-176.962.379.400111.6T80 M83 Q84 V278 N279 A280 K285 F286 I493T80-Q282 HydrophobicContact CG2-CB 4.08Å; T80-Q282 HydrophobicContact CG2-CG 4.15Å; M83-Q282 HydrophobicContact CE-CB 3.74Å; M83-Q282 HydrophobicContact CE-CG 3.64Å; Q84-Q282 HydrophobicContact CG-CG 3.85Å; V278-Q282 VanDerWaalsContact O-CB 3.23Å; V278-Q282 WeakPolarHBondContact O-CB 3.38Å; V278-Q282 PolarHBondContact O-N 2.75Å; N279-Q282 PolarHBondContact O-N 3.3Å; A280-Q282 PolarHBondContact O-N 2.78Å; Q282-K285 PolarHBondContact O-N 3.24Å; Q282-F286 HydrophobicContact CG-CD2 4.04Å; Q282-F286 HydrophobicContact CG-CE2 3.53Å; Q282-F286 HydrophobicContact CG-CZ 4.03Å; Q282-F286 VanDerWaalsContact NE2-CE2 3.27Å; Q282-F286 WeakPolarHBondContact O-CD2 3.39Å; Q282-F286 WeakPolarHBondContact O-CG 3.28Å; Q282-F286 PolarHBondContact O-N 3.4Å; Q282-I493 HydrophobicContact CB-CD1 3.99Å
283Y96.5Very high94.8Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-60.5-53.1175.8-179.6-118.9000110.5M83 E229 N279 A280 K285 F286 L287 L361 F365M83-Y283 HydrophobicContact SD-CD2 3.81Å; M83-Y283 HydrophobicContact SD-CG 4.3Å; E229-Y283 HydrophobicContact CB-CE1 4.27Å; E229-Y283 PolarHBondContact OE2-OH 3.33Å; N279-Y283 WeakPolarHBondContact O-CB 3.48Å; N279-Y283 PolarHBondContact O-N 2.91Å; A280-Y283 PolarHBondContact O-N 2.97Å; Y283-K285 PolarHBondContact O-N 2.87Å; Y283-F286 PolarHBondContact O-N 3.1Å; Y283-L287 HydrophobicContact CD1-CD1 3.89Å; Y283-L287 HydrophobicContact CD1-CG 4.43Å; Y283-L287 HydrophobicContact CD2-CG 4.41Å; Y283-L287 HydrophobicContact CE1-CD1 3.51Å; Y283-L287 HydrophobicContact CE1-CG 4.25Å; Y283-L287 HydrophobicContact CE2-CD1 4.29Å; Y283-L287 HydrophobicContact CE2-CD2 4.04Å; Y283-L287 HydrophobicContact CE2-CG 4.18Å; Y283-L287 HydrophobicContact CG-CD1 4.46Å; Y283-L287 WeakPolarHBondContact O-CG 3.42Å; Y283-L287 PolarHBondContact O-N 3.23Å; Y283-L361 HydrophobicContact CD2-CB 4.28Å; Y283-L361 HydrophobicContact CE2-CB 3.94Å; Y283-F365 HydrophobicContact CD1-CB 4.22Å; Y283-F365 HydrophobicContact CD1-CD1 4.12Å; Y283-F365 AromaticContact CD1-CD2 3.35Å; Y283-F365 HydrophobicContact CD1-CD2 3.35Å; Y283-F365 HydrophobicContact CD1-CE1 4.29Å; Y283-F365 AromaticContact CD1-CE2 3.56Å; Y283-F365 HydrophobicContact CD1-CE2 3.56Å; Y283-F365 AromaticContact CD1-CG 3.65Å; Y283-F365 HydrophobicContact CD1-CG 3.65Å; Y283-F365 HydrophobicContact CD1-CZ 4.02Å; Y283-F365 HydrophobicContact CD2-CB 4.2Å; Y283-F365 HydrophobicContact CD2-CG 4.49Å; Y283-F365 HydrophobicContact CE1-CB 4.21Å; Y283-F365 AromaticContact CE1-CD1 3.78Å; Y283-F365 HydrophobicContact CE1-CD1 3.78Å; Y283-F365 AromaticContact CE1-CD2 3.89Å; Y283-F365 HydrophobicContact CE1-CD2 3.89Å; Y283-F365 HydrophobicContact CE1-CE1 4.02Å; Y283-F365 HydrophobicContact CE1-CE2 4.14Å; Y283-F365 AromaticContact CE1-CG 3.7Å; Y283-F365 HydrophobicContact CE1-CG 3.7Å; Y283-F365 HydrophobicContact CE1-CZ 4.17Å; Y283-F365 HydrophobicContact CE2-CB 4.21Å; Y283-F365 HydrophobicContact CG-CB 4.2Å; Y283-F365 AromaticContact CG-CD2 3.7Å; Y283-F365 HydrophobicContact CG-CD2 3.7Å; Y283-F365 HydrophobicContact CG-CE2 4.27Å; Y283-F365 HydrophobicContact CG-CG 4.05Å
284G95.1Very high95.1Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-58.1-33.2176.700000113.8S233 A280 R288S233-G284 WeakPolarHBondContact OG-CA 3.36Å; S233-G284 PolarHBondContact OG-N 3.21Å; A280-G284 PolarHBondContact O-N 2.85Å; G284-R288 WeakPolarHBondContact O-CG 3.43Å; G284-R288 PolarHBondContact O-N 3.43Å; G284-R288 VanDerWaalsContact O-N 3.15Å; G284-R288 PolarHBondContact O-NH1 3.16Å
285K94.3Very high95.2Very high50 Ų5023.7 Ų23.722%0.21712%0.117CC..Hα-helixtrans-67.2-43.9173.7-174.9170.3-176.1163.30112.1R281 Q282 Y283 R288 I289 E425 I493R281-K285 WeakPolarHBondContact O-CB 3.35Å; R281-K285 PolarHBondContact O-N 3.47Å; Q282-K285 PolarHBondContact O-N 3.24Å; Y283-K285 PolarHBondContact O-N 2.87Å; K285-R288 PolarHBondContact O-N 2.99Å; K285-I289 WeakPolarHBondContact O-CG1 3.48Å; K285-I289 PolarHBondContact O-N 2.95Å; K285-E425 IonicContact NZ-OE2 3.08Å; K285-E425 PolarHBondContact NZ-OE2 2.94Å; K285-I493 HydrophobicContact CD-CG1 4.21Å; K285-I493 PolarHBondContact NZ-O 3.48Å
286F96.4Very high95.4Very high19 Ų1928.2 Ų28.28%0.08314%0.136CC..Hα-helixtrans-66.7-39176.4-67.9-38.3000112.4M83 Q84 F87 Q282 Y283 R288 I289 I290 L361M83-F286 HydrophobicContact CG-CD2 3.98Å; M83-F286 HydrophobicContact CG-CE2 3.95Å; M83-F286 HydrophobicContact SD-CD2 4.2Å; Q84-F286 HydrophobicContact CB-CZ 4.47Å; Q84-F286 HydrophobicContact CG-CE2 4.24Å; Q84-F286 HydrophobicContact CG-CZ 4.09Å; F87-F286 HydrophobicContact CB-CD1 4.31Å; F87-F286 HydrophobicContact CB-CD2 4.27Å; F87-F286 HydrophobicContact CB-CE1 3.99Å; F87-F286 HydrophobicContact CB-CE2 3.91Å; F87-F286 HydrophobicContact CB-CG 4.45Å; F87-F286 HydrophobicContact CB-CZ 3.76Å; F87-F286 AromaticContact CD1-CD1 3.4Å; F87-F286 HydrophobicContact CD1-CD1 3.4Å; F87-F286 AromaticContact CD1-CE1 3.27Å; F87-F286 HydrophobicContact CD1-CE1 3.27Å; F87-F286 HydrophobicContact CD1-CG 4.19Å; F87-F286 AromaticContact CD1-CZ 3.95Å; F87-F286 HydrophobicContact CD1-CZ 3.95Å; F87-F286 HydrophobicContact CD2-CB 4.06Å; F87-F286 AromaticContact CD2-CD1 3.88Å; F87-F286 HydrophobicContact CD2-CD1 3.88Å; F87-F286 HydrophobicContact CD2-CD2 4.31Å; F87-F286 HydrophobicContact CD2-CE1 4.37Å; F87-F286 AromaticContact CD2-CG 3.86Å; F87-F286 HydrophobicContact CD2-CG 3.86Å; F87-F286 AromaticContact CE1-CD1 3.48Å; F87-F286 HydrophobicContact CE1-CD1 3.48Å; F87-F286 VanDerWaalsContact CE1-CD1 3.48Å; F87-F286 AromaticContact CE1-CE1 3.74Å; F87-F286 HydrophobicContact CE1-CE1 3.74Å; F87-F286 HydrophobicContact CE1-CG 4.37Å; F87-F286 HydrophobicContact CE2-CB 3.89Å; F87-F286 AromaticContact CE2-CD1 3.95Å; F87-F286 HydrophobicContact CE2-CD1 3.95Å; F87-F286 HydrophobicContact CE2-CG 4.05Å; F87-F286 AromaticContact CG-CD1 3.58Å; F87-F286 HydrophobicContact CG-CD1 3.58Å; F87-F286 HydrophobicContact CG-CD2 4.21Å; F87-F286 AromaticContact CG-CE1 3.62Å; F87-F286 HydrophobicContact CG-CE1 3.62Å; F87-F286 HydrophobicContact CG-CE2 4.21Å; F87-F286 AromaticContact CG-CG 3.9Å; F87-F286 HydrophobicContact CG-CG 3.9Å; F87-F286 AromaticContact CG-CZ 3.93Å; F87-F286 HydrophobicContact CG-CZ 3.93Å; F87-F286 HydrophobicContact CZ-CB 4.29Å; F87-F286 AromaticContact CZ-CD1 3.75Å; F87-F286 HydrophobicContact CZ-CD1 3.75Å; F87-F286 HydrophobicContact CZ-CE1 4.44Å; F87-F286 HydrophobicContact CZ-CG 4.29Å; Q282-F286 HydrophobicContact CG-CD2 4.04Å; Q282-F286 HydrophobicContact CG-CE2 3.53Å; Q282-F286 HydrophobicContact CG-CZ 4.03Å; Q282-F286 VanDerWaalsContact NE2-CE2 3.27Å; Q282-F286 WeakPolarHBondContact O-CD2 3.39Å; Q282-F286 WeakPolarHBondContact O-CG 3.28Å; Q282-F286 PolarHBondContact O-N 3.4Å; Y283-F286 PolarHBondContact O-N 3.1Å; F286-R288 VanDerWaalsContact C-N 3.35Å; F286-R288 PolarHBondContact O-N 3.3Å; F286-I289 HydrophobicContact CD1-CD1 4.27Å; F286-I289 WeakPolarHBondContact O-CB 3.13Å; F286-I289 PolarHBondContact O-N 3Å; F286-I290 WeakPolarHBondContact O-CG1 3.2Å; F286-I290 PolarHBondContact O-N 3.27Å; F286-I290 VanDerWaalsContact O-N 3.12Å; F286-L361 HydrophobicContact CB-CD1 4.08Å; F286-L361 HydrophobicContact CD2-CD2 4.19Å
287L96.8Very high95.5Very high0 Ų028.1 Ų28.10%014%0.135CC..Hα-helixtrans-60.4-43.5175.6-68.6-175.5000112.4I226 E229 I230 Y283 I289 I290 E291 L358I226-L287 HydrophobicContact CG2-CB 4.26Å; E229-L287 HydrophobicContact CB-CD1 3.58Å; I230-L287 HydrophobicContact CD1-CB 4.1Å; I230-L287 HydrophobicContact CG1-CB 3.57Å; I230-L287 HydrophobicContact CG1-CD1 3.81Å; I230-L287 HydrophobicContact CG1-CG 4.38Å; Y283-L287 HydrophobicContact CD1-CD1 3.89Å; Y283-L287 HydrophobicContact CD1-CG 4.43Å; Y283-L287 HydrophobicContact CD2-CG 4.41Å; Y283-L287 HydrophobicContact CE1-CD1 3.51Å; Y283-L287 HydrophobicContact CE1-CG 4.25Å; Y283-L287 HydrophobicContact CE2-CD1 4.29Å; Y283-L287 HydrophobicContact CE2-CD2 4.04Å; Y283-L287 HydrophobicContact CE2-CG 4.18Å; Y283-L287 HydrophobicContact CG-CD1 4.46Å; Y283-L287 WeakPolarHBondContact O-CG 3.42Å; Y283-L287 PolarHBondContact O-N 3.23Å; L287-I289 VanDerWaalsContact C-N 3.28Å; L287-I289 PolarHBondContact O-N 3.37Å; L287-I290 PolarHBondContact O-N 3.26Å; L287-E291 WeakPolarHBondContact O-CB 3.21Å; L287-E291 PolarHBondContact O-N 3.44Å; L287-L358 HydrophobicContact CD2-CD1 3.31Å
288R95.8Very high95.6Very high103 Ų10331.2 Ų31.239%0.38915%0.152SC..Hα-helixtrans-64.2-30.1176.4-74.3171.3171.493.8-3.3113.3I230 D234 G284 K285 F286 C292I230-R288 HydrophobicContact CD1-CG 3.97Å; D234-R288 IonicContact OD1-CZ 3.64Å; D234-R288 IonicContact OD1-NH1 3.58Å; D234-R288 PolarHBondContact OD1-NH1 3.41Å; D234-R288 IonicContact OD1-NH2 3.56Å; D234-R288 PolarHBondContact OD1-NH2 3.28Å; D234-R288 IonicContact OD2-CZ 3.5Å; D234-R288 IonicContact OD2-NH1 3.82Å; D234-R288 IonicContact OD2-NH2 3.79Å; D234-R288 PolarHBondContact OD2-NH2 2.91Å; G284-R288 WeakPolarHBondContact O-CG 3.43Å; G284-R288 PolarHBondContact O-N 3.43Å; G284-R288 VanDerWaalsContact O-N 3.15Å; G284-R288 PolarHBondContact O-NH1 3.16Å; K285-R288 PolarHBondContact O-N 2.99Å; F286-R288 VanDerWaalsContact C-N 3.35Å; F286-R288 PolarHBondContact O-N 3.3Å; R288-C292 WeakPolarHBondContact O-CB 3.41Å; R288-C292 PolarHBondContact O-N 3.32Å; R288-C292 VanDerWaalsContact O-N 3.08Å
289I94.8Very high95.7Very high65 Ų6536.5 Ų36.533%0.33318%0.176SC..Hα-helixtrans-65.6-50.9171.7-66.2167.8000109.7F87 K285 F286 L287 E291 C292 E293F87-I289 HydrophobicContact CE1-CD1 4.15Å; F87-I289 HydrophobicContact CZ-CB 4.29Å; F87-I289 HydrophobicContact CZ-CD1 4.21Å; F87-I289 HydrophobicContact CZ-CG2 4.06Å; K285-I289 WeakPolarHBondContact O-CG1 3.48Å; K285-I289 PolarHBondContact O-N 2.95Å; F286-I289 HydrophobicContact CD1-CD1 4.27Å; F286-I289 WeakPolarHBondContact O-CB 3.13Å; F286-I289 PolarHBondContact O-N 3Å; L287-I289 VanDerWaalsContact C-N 3.28Å; L287-I289 PolarHBondContact O-N 3.37Å; I289-E291 VanDerWaalsContact C-N 3.31Å; I289-E291 PolarHBondContact O-N 3.22Å; I289-C292 WeakPolarHBondContact O-CB 3.3Å; I289-C292 PolarHBondContact O-N 2.94Å; I289-E293 PolarHBondContact O-N 3.39Å; I289-E293 VanDerWaalsContact O-N 3.12Å
290I95.7Very high95.7Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-62.6-39.5178.8-60.1171.6000111F87 I226 F286 L287 C292 E293 L294 L354 T357 L361F87-I290 HydrophobicContact CE2-CD1 4.27Å; F87-I290 HydrophobicContact CE2-CG1 4.28Å; I226-I290 HydrophobicContact CD1-CB 4.18Å; I226-I290 HydrophobicContact CD1-CG2 3.5Å; I226-I290 VanDerWaalsContact CD1-CG2 3.5Å; F286-I290 WeakPolarHBondContact O-CG1 3.2Å; F286-I290 PolarHBondContact O-N 3.27Å; F286-I290 VanDerWaalsContact O-N 3.12Å; L287-I290 PolarHBondContact O-N 3.26Å; I290-C292 PolarHBondContact O-N 3.49Å; I290-E293 PolarHBondContact O-N 2.92Å; I290-L294 HydrophobicContact CG2-CD1 3.94Å; I290-L294 HydrophobicContact CG2-CG 4.27Å; I290-L294 WeakPolarHBondContact O-CG 3.45Å; I290-L294 PolarHBondContact O-N 3.41Å; I290-L354 HydrophobicContact CG2-CB 4.23Å; I290-L354 HydrophobicContact CG2-CD1 4.48Å; I290-L354 HydrophobicContact CG2-CD2 4.35Å; I290-T357 HydrophobicContact CD1-CG2 4.3Å; I290-L361 HydrophobicContact CD1-CD1 3.84Å
291E96.9Very high95.8Very high48 Ų4840.2 Ų40.222%0.22419%0.193CC..Hα-helixtrans-57.4-47.6175-173.2-168.8-177.700111.5L223 I226 N227 I230 L287 I289 E293 L294 N295L223-E291 HydrophobicContact CD2-CG 4Å; I226-E291 HydrophobicContact CG2-CB 4.03Å; N227-E291 PolarHBondContact OD1-OE1 3.09Å; I230-E291 WeakPolarHBondContact CD1-OE2 3.24Å; L287-E291 WeakPolarHBondContact O-CB 3.21Å; L287-E291 PolarHBondContact O-N 3.44Å; I289-E291 VanDerWaalsContact C-N 3.31Å; I289-E291 PolarHBondContact O-N 3.22Å; E291-E293 VanDerWaalsContact C-N 3.32Å; E291-E293 PolarHBondContact O-N 3.05Å; E291-L294 PolarHBondContact O-N 2.79Å; E291-N295 PolarHBondContact O-N 3.12Å; E291-N295 PolarHBondContact O-ND2 3.47Å
292C95.8Very high95.8Very high66 Ų6646 Ų4645%0.44622%0.221SC..Hα-helixtrans-59.6-43.7177.2-172.70000111.5R288 I289 I290 N295 Q296R288-C292 WeakPolarHBondContact O-CB 3.41Å; R288-C292 PolarHBondContact O-N 3.32Å; R288-C292 VanDerWaalsContact O-N 3.08Å; I289-C292 WeakPolarHBondContact O-CB 3.3Å; I289-C292 PolarHBondContact O-N 2.94Å; I290-C292 PolarHBondContact O-N 3.49Å; C292-N295 PolarHBondContact O-N 3.12Å; C292-Q296 WeakPolarHBondContact O-CG 3.32Å; C292-Q296 PolarHBondContact O-N 2.96Å
293E95.1Very high95.9Very high36 Ų3651.7 Ų51.717%0.16825%0.246CC..Hα-helixtrans-67.1-37.7177.9-67.5-174.3174.600113.2H91 I289 I290 E291 Q296 M297 Y350 L354H91-E293 IonicContact CE1-OE1 3.27Å; H91-E293 PolarHBondContact CE1-OE1 3.27Å; H91-E293 IonicContact CE1-OE2 3.47Å; H91-E293 PolarHBondContact CE1-OE2 3.13Å; H91-E293 IonicContact NE2-OE1 3.41Å; H91-E293 PolarHBondContact NE2-OE1 3.33Å; H91-E293 IonicContact NE2-OE2 2.64Å; I289-E293 PolarHBondContact O-N 3.39Å; I289-E293 VanDerWaalsContact O-N 3.12Å; I290-E293 PolarHBondContact O-N 2.92Å; E291-E293 VanDerWaalsContact C-N 3.32Å; E291-E293 PolarHBondContact O-N 3.05Å; E293-Q296 PolarHBondContact O-N 3.06Å; E293-M297 VanDerWaalsContact O-CB 3.3Å; E293-M297 WeakPolarHBondContact O-CB 3.28Å; E293-M297 PolarHBondContact O-N 3.22Å; E293-Y350 VanDerWaalsContact CD-OH 3.3Å; E293-Y350 PolarHBondContact OE2-OH 2.93Å; E293-L354 HydrophobicContact CB-CD1 4.4Å; E293-L354 WeakPolarHBondContact OE2-CD2 3.3Å
294L96.1Very high96Very high0 Ų052.8 Ų52.80%025%0.252CS..Hα-helixtrans-68.4-36.5175.3-73.1169.5000112.1V219 T222 L223 I226 I290 E291 M297 L298 L351 L354V219-L294 HydrophobicContact CG1-CB 4.39Å; V219-L294 HydrophobicContact CG1-CD2 4.27Å; T222-L294 HydrophobicContact CG2-CD1 3.81Å; T222-L294 HydrophobicContact CG2-CD2 4.48Å; L223-L294 HydrophobicContact CD1-CB 4.34Å; L223-L294 HydrophobicContact CD2-CB 3.61Å; L223-L294 HydrophobicContact CD2-CD1 4.01Å; L223-L294 HydrophobicContact CG-CB 3.83Å; L223-L294 HydrophobicContact CG-CD1 4.14Å; I226-L294 HydrophobicContact CD1-CD1 3.27Å; I290-L294 HydrophobicContact CG2-CD1 3.94Å; I290-L294 HydrophobicContact CG2-CG 4.27Å; I290-L294 WeakPolarHBondContact O-CG 3.45Å; I290-L294 PolarHBondContact O-N 3.41Å; E291-L294 PolarHBondContact O-N 2.79Å; L294-M297 HydrophobicContact CD2-SD 4.15Å; L294-M297 WeakPolarHBondContact O-CB 3.4Å; L294-M297 PolarHBondContact O-N 3.19Å; L294-L298 PolarHBondContact O-N 3.27Å; L294-L351 HydrophobicContact CD2-CD1 3.64Å; L294-L354 HydrophobicContact CD2-CD1 3.76Å; L294-L354 HydrophobicContact CG-CD1 4.06Å
295N96.3Very high96.1Very high70 Ų7053.8 Ų53.837%0.37426%0.257SS..Hα-helixtrans-64.6-42.9172.8-75.9-45.2000111.3E291 C292 L298 E299E291-N295 PolarHBondContact O-N 3.12Å; E291-N295 PolarHBondContact O-ND2 3.47Å; C292-N295 PolarHBondContact O-N 3.12Å; N295-L298 WeakPolarHBondContact O-CB 3.41Å; N295-L298 PolarHBondContact O-N 3.46Å; N295-E299 PolarHBondContact O-N 3.43Å
296Q95.3Very high96.2Very high103 Ų10355.6 Ų55.648%0.48127%0.269SS..Hα-helixtrans-61.1-44.7173.2-71.1172.413.800111.6C292 E293 L298 E299 E300C292-Q296 WeakPolarHBondContact O-CG 3.32Å; C292-Q296 PolarHBondContact O-N 2.96Å; E293-Q296 PolarHBondContact O-N 3.06Å; Q296-L298 VanDerWaalsContact C-N 3.3Å; Q296-L298 PolarHBondContact O-N 3.3Å; Q296-E299 PolarHBondContact O-N 3.26Å; Q296-E300 WeakPolarHBondContact O-CG 3.1Å; Q296-E300 PolarHBondContact O-N 2.99Å
297M95.8Very high96.3Very high2 Ų256.7 Ų56.71%0.0128%0.279CS..Hα-helixtrans-58-41.2175.4173.8-175.5-67.300111.7V219 E293 L294 E299 E300 I301 E347 Y350 L351 L354V219-M297 HydrophobicContact CG2-CG 4.14Å; V219-M297 HydrophobicContact CG2-SD 3.51Å; V219-M297 VanDerWaalsContact CG2-SD 3.51Å; E293-M297 VanDerWaalsContact O-CB 3.3Å; E293-M297 WeakPolarHBondContact O-CB 3.28Å; E293-M297 PolarHBondContact O-N 3.22Å; L294-M297 HydrophobicContact CD2-SD 4.15Å; L294-M297 WeakPolarHBondContact O-CB 3.4Å; L294-M297 PolarHBondContact O-N 3.19Å; M297-E299 PolarHBondContact O-N 3.38Å; M297-E300 PolarHBondContact O-N 3.19Å; M297-I301 HydrophobicContact CG-CD1 3.46Å; M297-I301 VanDerWaalsContact CG-CD1 3.46Å; M297-I301 HydrophobicContact CG-CG1 4.17Å; M297-I301 WeakPolarHBondContact O-CB 3.31Å; M297-I301 WeakPolarHBondContact O-CD1 3.33Å; M297-I301 WeakPolarHBondContact O-CG1 3.44Å; M297-I301 PolarHBondContact O-N 3.08Å; M297-I301 HydrophobicContact SD-CD1 4.21Å; M297-E347 WeakPolarHBondContact CG-OE2 3.43Å; M297-Y350 HydrophobicContact CE-CD1 3.4Å; M297-Y350 VanDerWaalsContact CE-CD1 3.4Å; M297-Y350 HydrophobicContact CE-CE1 4.23Å; M297-Y350 HydrophobicContact CE-CG 4.2Å; M297-L351 HydrophobicContact CE-CB 4.12Å; M297-L351 HydrophobicContact SD-CB 4Å; M297-L351 HydrophobicContact SD-CD1 4.21Å; M297-L354 HydrophobicContact CE-CD1 4.09Å
298L95.8Very high96.3Very high66 Ų6657.7 Ų57.735%0.34628%0.283SS..Hα-helixtrans-60.3-45.7178.3-170.868.1000111.8V219 P220 L294 N295 Q296 E302V219-L298 HydrophobicContact CG1-CB 4.29Å; V219-L298 HydrophobicContact CG1-CD1 4.23Å; P220-L298 HydrophobicContact CG-CD1 4.38Å; L294-L298 PolarHBondContact O-N 3.27Å; N295-L298 WeakPolarHBondContact O-CB 3.41Å; N295-L298 PolarHBondContact O-N 3.46Å; Q296-L298 VanDerWaalsContact C-N 3.3Å; Q296-L298 PolarHBondContact O-N 3.3Å; L298-E302 PolarHBondContact O-N 2.89Å; L298-E302 VanDerWaalsContact O-N 3.11Å
299E95.8Very high96.3Very high113 Ų11358.2 Ų58.253%0.52829%0.289SS..Hα-helixtrans-64.7-38.4176.2-66-174.7-166.900112.6N295 Q296 M297 K303N295-E299 PolarHBondContact O-N 3.43Å; Q296-E299 PolarHBondContact O-N 3.26Å; M297-E299 PolarHBondContact O-N 3.38Å; E299-K303 WeakPolarHBondContact O-CD 3.07Å; E299-K303 VanDerWaalsContact O-CG 3.28Å; E299-K303 WeakPolarHBondContact O-CG 3.47Å; E299-K303 PolarHBondContact O-N 3.21Å; E299-K303 IonicContact OE2-NZ 2.73Å
300E95.4Very high96.4Very high72 Ų7257.9 Ų57.934%0.33629%0.287SS..Hα-helixtrans-68.4-44.4178.8-73.3177.2172.800111.6K94 Q296 M297 E302 K303 I304K94-E300 IonicContact NZ-OE2 2.81Å; K94-E300 PolarHBondContact NZ-OE2 3.49Å; Q296-E300 WeakPolarHBondContact O-CG 3.1Å; Q296-E300 PolarHBondContact O-N 2.99Å; M297-E300 PolarHBondContact O-N 3.19Å; E300-E302 VanDerWaalsContact C-N 3.33Å; E300-E302 PolarHBondContact O-N 3.05Å; E300-K303 PolarHBondContact O-N 3.27Å; E300-I304 VanDerWaalsContact O-CG1 3.25Å; E300-I304 WeakPolarHBondContact O-CG1 3.31Å; E300-I304 PolarHBondContact O-N 3.38Å
301I96.9Very high96.4Very high5 Ų558.1 Ų58.13%0.02629%0.289CS..Hα-helixtrans-58.4-46.1175.5-71.3160.7000110.4L215 V219 M297 K303 I304 I305 E347L215-I301 HydrophobicContact CB-CD1 3.98Å; L215-I301 HydrophobicContact CB-CG1 4.48Å; L215-I301 HydrophobicContact CB-CG2 4.22Å; L215-I301 HydrophobicContact CD1-CG1 4.41Å; L215-I301 HydrophobicContact CD2-CD1 4.16Å; L215-I301 HydrophobicContact CG-CD1 4.46Å; V219-I301 HydrophobicContact CG2-CD1 3.71Å; M297-I301 HydrophobicContact CG-CD1 3.46Å; M297-I301 VanDerWaalsContact CG-CD1 3.46Å; M297-I301 HydrophobicContact CG-CG1 4.17Å; M297-I301 WeakPolarHBondContact O-CB 3.31Å; M297-I301 WeakPolarHBondContact O-CD1 3.33Å; M297-I301 WeakPolarHBondContact O-CG1 3.44Å; M297-I301 PolarHBondContact O-N 3.08Å; M297-I301 HydrophobicContact SD-CD1 4.21Å; I301-K303 VanDerWaalsContact C-N 3.33Å; I301-K303 PolarHBondContact O-N 2.66Å; I301-I304 PolarHBondContact O-N 3.1Å; I301-I305 HydrophobicContact CG2-CD1 3.47Å; I301-I305 VanDerWaalsContact CG2-CD1 3.47Å; I301-I305 HydrophobicContact CG2-CG1 4.09Å; I301-I305 WeakPolarHBondContact O-CB 3.42Å; I301-I305 VanDerWaalsContact O-CG1 3.26Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.15Å; I301-E347 HydrophobicContact CG1-CB 4.28Å; I301-E347 HydrophobicContact CG1-CG 3.97Å
302E96.5Very high96.3Very high144 Ų14456.3 Ų56.367%0.67328%0.281SS*.Hα-helixtrans-58.7-45.7179-172.2178.2-173.800111.5L298 E300 I304 I305 D306L298-E302 PolarHBondContact O-N 2.89Å; L298-E302 VanDerWaalsContact O-N 3.11Å; E300-E302 VanDerWaalsContact C-N 3.33Å; E300-E302 PolarHBondContact O-N 3.05Å; E302-I304 PolarHBondContact O-N 3.17Å; E302-I305 PolarHBondContact O-N 3.25Å; E302-D306 PolarHBondContact O-N 3.2Å
303K97.1Very high96.3Very high123 Ų12358.9 Ų58.954%0.53528%0.284SS..Hα-helixtrans-62-41.9176.8-69.4164.5-169.11570112.1E299 E300 I301 S307E299-K303 WeakPolarHBondContact O-CD 3.07Å; E299-K303 VanDerWaalsContact O-CG 3.28Å; E299-K303 WeakPolarHBondContact O-CG 3.47Å; E299-K303 PolarHBondContact O-N 3.21Å; E299-K303 IonicContact OE2-NZ 2.73Å; E300-K303 PolarHBondContact O-N 3.27Å; I301-K303 VanDerWaalsContact C-N 3.33Å; I301-K303 PolarHBondContact O-N 2.66Å; K303-S307 VanDerWaalsContact O-CB 3.32Å; K303-S307 WeakPolarHBondContact O-CB 3.27Å; K303-S307 PolarHBondContact O-N 2.81Å; K303-S307 VanDerWaalsContact O-N 3.08Å; K303-S307 PolarHBondContact O-OG 3.33Å
304I97.5Very high96.2Very high24 Ų2464.2 Ų64.212%0.12331%0.307CS..Hα-helixtrans-67-45.1178.2-65.2162.3000110.2E300 I301 E302 S307 F308 L344 E347E300-I304 VanDerWaalsContact O-CG1 3.25Å; E300-I304 WeakPolarHBondContact O-CG1 3.31Å; E300-I304 PolarHBondContact O-N 3.38Å; I301-I304 PolarHBondContact O-N 3.1Å; E302-I304 PolarHBondContact O-N 3.17Å; I304-S307 PolarHBondContact O-N 3.33Å; I304-F308 VanDerWaalsContact O-CB 3.27Å; I304-F308 WeakPolarHBondContact O-CB 3.4Å; I304-F308 PolarHBondContact O-N 3.04Å; I304-L344 HydrophobicContact CB-CD2 4.28Å; I304-L344 HydrophobicContact CG2-CD1 4.4Å; I304-L344 HydrophobicContact CG2-CD2 3.68Å; I304-L344 HydrophobicContact CG2-CG 3.71Å; I304-E347 HydrophobicContact CD1-CG 4.29Å
305I97.1Very high96.1Very high21 Ų2164.4 Ų64.411%0.10831%0.308CS..Hα-helixtrans-63.1-44.9-179.9-71.1175.7000111.1P212 I301 E302 F308 K309 L344P212-I305 HydrophobicContact CB-CD1 3.89Å; P212-I305 HydrophobicContact CB-CG1 4.03Å; I301-I305 HydrophobicContact CG2-CD1 3.47Å; I301-I305 VanDerWaalsContact CG2-CD1 3.47Å; I301-I305 HydrophobicContact CG2-CG1 4.09Å; I301-I305 WeakPolarHBondContact O-CB 3.42Å; I301-I305 VanDerWaalsContact O-CG1 3.26Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.15Å; E302-I305 PolarHBondContact O-N 3.25Å; I305-F308 PolarHBondContact O-N 3.44Å; I305-K309 HydrophobicContact CG2-CD 3.94Å; I305-K309 HydrophobicContact CG2-CG 4.48Å; I305-K309 WeakPolarHBondContact O-CB 3.4Å; I305-K309 VanDerWaalsContact O-CG 3.31Å; I305-K309 WeakPolarHBondContact O-CG 3.46Å; I305-K309 PolarHBondContact O-N 3.11Å; I305-L344 HydrophobicContact CG1-CD2 4.25Å
306D97.3Very high95.9Very high88 Ų8863.4 Ų63.447%0.47130%0.301SS..Hα-helixtrans-63.3-44.4176.9-176.556000111.2E302 F308 K309 N310E302-D306 PolarHBondContact O-N 3.2Å; D306-F308 PolarHBondContact O-N 3.34Å; D306-K309 PolarHBondContact O-N 3.15Å; D306-N310 VanDerWaalsContact CG-ND2 3.31Å; D306-N310 VanDerWaalsContact O-CB 3.31Å; D306-N310 WeakPolarHBondContact O-CB 3.41Å; D306-N310 PolarHBondContact O-N 3.14Å; D306-N310 PolarHBondContact O-ND2 2.88Å; D306-N310 VanDerWaalsContact O-ND2 3.13Å; D306-N310 PolarHBondContact OD1-ND2 3.19Å; D306-N310 PolarHBondContact OD2-ND2 3.23Å
307S97.8Very high95.6Very high41 Ų4164.3 Ų64.329%0.28731%0.309SS..Hα-helixtrans-61.1-42.7176.4-62.60000112.4K303 I304 N310 C311K303-S307 VanDerWaalsContact O-CB 3.32Å; K303-S307 WeakPolarHBondContact O-CB 3.27Å; K303-S307 PolarHBondContact O-N 2.81Å; K303-S307 VanDerWaalsContact O-N 3.08Å; K303-S307 PolarHBondContact O-OG 3.33Å; I304-S307 PolarHBondContact O-N 3.33Å; S307-N310 PolarHBondContact O-N 2.79Å; S307-C311 WeakPolarHBondContact O-CB 3.33Å; S307-C311 PolarHBondContact O-N 3.25Å
308F97.2Very high95.3Very high21 Ų2166.2 Ų66.29%0.09232%0.319CS..Hα-helixtrans-61.4-49.8176-178.6-92.7000111.3L196 I304 I305 D306 N310 C311 M312 L337 W341L196-F308 HydrophobicContact CD1-CE2 4.3Å; I304-F308 VanDerWaalsContact O-CB 3.27Å; I304-F308 WeakPolarHBondContact O-CB 3.4Å; I304-F308 PolarHBondContact O-N 3.04Å; I305-F308 PolarHBondContact O-N 3.44Å; D306-F308 PolarHBondContact O-N 3.34Å; F308-N310 VanDerWaalsContact C-N 3.33Å; F308-N310 PolarHBondContact O-N 3.15Å; F308-C311 PolarHBondContact O-N 2.92Å; F308-M312 HydrophobicContact CE1-CE 3.76Å; F308-M312 HydrophobicContact CZ-CE 3.62Å; F308-M312 WeakPolarHBondContact O-CB 3.39Å; F308-M312 PolarHBondContact O-N 3.15Å; F308-L337 HydrophobicContact CD2-CD2 3.9Å; F308-L337 HydrophobicContact CE2-CD2 3.79Å; F308-L337 HydrophobicContact CG-CD2 4.49Å; F308-L337 HydrophobicContact CZ-CD2 4.29Å; F308-W341 AromaticContact CE2-CE3 3.95Å; F308-W341 HydrophobicContact CE2-CE3 3.95Å; F308-W341 HydrophobicContact CZ-CE3 4.03Å; F308-W341 HydrophobicContact CZ-CZ3 4.3Å
309K96.2Very high94.9Very high115 Ų11565.1 Ų65.150%0.531%0.313SS..Hα-helixtrans-61.2-41.2177.4-74.4173179.2171.20111.7I305 D306 M312 K313I305-K309 HydrophobicContact CG2-CD 3.94Å; I305-K309 HydrophobicContact CG2-CG 4.48Å; I305-K309 WeakPolarHBondContact O-CB 3.4Å; I305-K309 VanDerWaalsContact O-CG 3.31Å; I305-K309 WeakPolarHBondContact O-CG 3.46Å; I305-K309 PolarHBondContact O-N 3.11Å; D306-K309 PolarHBondContact O-N 3.15Å; K309-M312 PolarHBondContact O-N 2.93Å; K309-K313 VanDerWaalsContact O-CG 3.3Å; K309-K313 WeakPolarHBondContact O-CG 3.48Å; K309-K313 PolarHBondContact O-N 2.76Å
310N96.9Very high94Very high57 Ų5764.1 Ų64.131%0.30532%0.318SS..Hα-helixtrans-68.5-37.2178.4-72-30.1000112.3D306 S307 F308 K314D306-N310 VanDerWaalsContact CG-ND2 3.31Å; D306-N310 VanDerWaalsContact O-CB 3.31Å; D306-N310 WeakPolarHBondContact O-CB 3.41Å; D306-N310 PolarHBondContact O-N 3.14Å; D306-N310 PolarHBondContact O-ND2 2.88Å; D306-N310 VanDerWaalsContact O-ND2 3.13Å; D306-N310 PolarHBondContact OD1-ND2 3.19Å; D306-N310 PolarHBondContact OD2-ND2 3.23Å; S307-N310 PolarHBondContact O-N 2.79Å; F308-N310 VanDerWaalsContact C-N 3.33Å; F308-N310 PolarHBondContact O-N 3.15Å; N310-K314 WeakPolarHBondContact O-CG 3.4Å; N310-K314 PolarHBondContact O-N 3.16Å; N310-K314 VanDerWaalsContact O-N 3.15Å
311C96.3Very high93Very high6 Ų667.2 Ų67.24%0.04134%0.337CS..Hα-helixtrans-64.3-45.2171.8-170.20000111.5S307 F308 K313 K314 L315 Q336 L337 Y340S307-C311 WeakPolarHBondContact O-CB 3.33Å; S307-C311 PolarHBondContact O-N 3.25Å; F308-C311 PolarHBondContact O-N 2.92Å; C311-K313 PolarHBondContact O-N 2.99Å; C311-K314 WeakPolarHBondContact O-CB 3.37Å; C311-K314 PolarHBondContact O-N 3.25Å; C311-K314 VanDerWaalsContact O-N 3.17Å; C311-L315 PolarHBondContact O-N 2.84Å; C311-Q336 PolarHBondContact SG-OE1 2.83Å; C311-Q336 VanDerWaalsContact SG-OE1 3.36Å; C311-L337 HydrophobicContact CB-CD2 3.87Å; C311-Y340 HydrophobicContact CB-CD2 4.35Å; C311-Y340 HydrophobicContact CB-CE2 4.03Å
312M95.1Very high92.1Very high9 Ų972.8 Ų72.84%0.04436%0.358CS..Hα-helixtrans-58.9-45.6177.3-164.968.37900111.8Y197 D200 F308 K309 K314 L315 H316 L337Y197-M312 HydrophobicContact CD2-SD 3.8Å; D200-M312 HydrophobicContact CB-CE 3.94Å; D200-M312 HydrophobicContact CB-CG 4.25Å; D200-M312 HydrophobicContact CB-SD 3.92Å; F308-M312 HydrophobicContact CE1-CE 3.76Å; F308-M312 HydrophobicContact CZ-CE 3.62Å; F308-M312 WeakPolarHBondContact O-CB 3.39Å; F308-M312 PolarHBondContact O-N 3.15Å; K309-M312 PolarHBondContact O-N 2.93Å; M312-K314 PolarHBondContact O-N 2.71Å; M312-L315 PolarHBondContact O-N 2.87Å; M312-H316 PolarHBondContact O-CD2 3.39Å; M312-H316 PolarHBondContact O-N 3.04Å; M312-L337 HydrophobicContact CB-CD2 4.45Å; M312-L337 HydrophobicContact CE-CD1 3.95Å; M312-L337 HydrophobicContact CE-CD2 4.09Å; M312-L337 HydrophobicContact SD-CD1 3.89Å; M312-L337 HydrophobicContact SD-CD2 4.48Å
313K94.9Very high91Very high121 Ų12172.8 Ų72.853%0.52637%0.371SS..Hα-helixtrans-59.1-42.9175-72.5170.4-172.8169.60112.6K309 C311 L315 H316 N317K309-K313 VanDerWaalsContact O-CG 3.3Å; K309-K313 WeakPolarHBondContact O-CG 3.48Å; K309-K313 PolarHBondContact O-N 2.76Å; C311-K313 PolarHBondContact O-N 2.99Å; K313-L315 VanDerWaalsContact C-N 3.33Å; K313-L315 PolarHBondContact O-N 3.38Å; K313-H316 PolarHBondContact O-N 3.1Å; K313-N317 VanDerWaalsContact O-CG 3.3Å; K313-N317 PolarHBondContact O-N 3.02Å; K313-N317 PolarHBondContact O-ND2 3.38Å
314K93.4Very high90Very high147 Ų14771 Ų7164%0.63938%0.378SS*.Hα-helixtrans-62.1-41.4177.2-73.3172.4-176.7176.10111.5N310 C311 M312 N317 L318N310-K314 WeakPolarHBondContact O-CG 3.4Å; N310-K314 PolarHBondContact O-N 3.16Å; N310-K314 VanDerWaalsContact O-N 3.15Å; C311-K314 WeakPolarHBondContact O-CB 3.37Å; C311-K314 PolarHBondContact O-N 3.25Å; C311-K314 VanDerWaalsContact O-N 3.17Å; M312-K314 PolarHBondContact O-N 2.71Å; K314-N317 PolarHBondContact O-N 3.4Å; K314-L318 WeakPolarHBondContact O-CB 3.21Å; K314-L318 PolarHBondContact O-N 2.99Å
315L92.9Very high89.3Confident5 Ų571.3 Ų71.33%0.02638%0.382CS..Hα-helixtrans-65.9-42.3176.3-79.7167.3000112.3Y197 C311 M312 K313 N317 L318 I319 F334 L337Y197-L315 HydrophobicContact CD2-CB 4.12Å; Y197-L315 HydrophobicContact CE2-CB 4.07Å; C311-L315 PolarHBondContact O-N 2.84Å; M312-L315 PolarHBondContact O-N 2.87Å; K313-L315 VanDerWaalsContact C-N 3.33Å; K313-L315 PolarHBondContact O-N 3.38Å; L315-N317 PolarHBondContact O-N 3.22Å; L315-L318 PolarHBondContact O-N 3.23Å; L315-L318 VanDerWaalsContact O-N 3.16Å; L315-I319 HydrophobicContact CD2-CD1 4.34Å; L315-I319 WeakPolarHBondContact O-CB 3.25Å; L315-I319 WeakPolarHBondContact O-CG1 3.23Å; L315-I319 PolarHBondContact O-N 2.78Å; L315-F334 HydrophobicContact CD1-CD1 4.06Å; L315-F334 HydrophobicContact CD1-CE1 4.24Å; L315-F334 HydrophobicContact CD2-CD1 4.43Å; L315-F334 HydrophobicContact CD2-CE1 4.26Å; L315-L337 HydrophobicContact CD1-CD1 3.28Å; L315-L337 HydrophobicContact CD1-CG 3.74Å
316H92.3Very high88.7Confident48 Ų4873.2 Ų73.222%0.22240%0.395CS..Hα-helixtrans-58.3-47173.5-79.9-59.5000112.5Y197 D200 C201 M312 K313 L318 I319 S320Y197-H316 AromaticContact CE2-CE1 3.51Å; Y197-H316 AromaticContact CE2-CG 3.93Å; Y197-H316 AromaticContact CE2-ND1 3.45Å; Y197-H316 WeakPolarHBondContact CE2-ND1 3.23Å; Y197-H316 AromaticContact CE2-NE2 3.98Å; Y197-H316 AromaticContact CZ-CE1 3.88Å; Y197-H316 AromaticContact CZ-ND1 3.66Å; Y197-H316 PolarHBondContact OH-ND1 2.89Å; Y197-H316 VanDerWaalsContact OH-ND1 3.17Å; D200-H316 IonicContact OD2-CD2 3.41Å; D200-H316 IonicContact OD2-CE1 2.93Å; D200-H316 IonicContact OD2-NE2 3.63Å; D200-H316 PolarHBondContact OD2-NE2 3.12Å; C201-H316 VanDerWaalsContact SG-CE1 3.57Å; M312-H316 PolarHBondContact O-CD2 3.39Å; M312-H316 PolarHBondContact O-N 3.04Å; K313-H316 PolarHBondContact O-N 3.1Å; H316-L318 PolarHBondContact O-N 2.9Å; H316-I319 PolarHBondContact O-N 3.39Å; H316-S320 WeakPolarHBondContact O-CB 3.37Å; H316-S320 PolarHBondContact O-N 3.49Å
317N90Very high88.2Confident123 Ų12371.8 Ų71.866%0.65839%0.393SS*.Hα-helixtrans-63.1-31.5177.7-68.2-15.8000112.5K313 K314 L315K313-N317 VanDerWaalsContact O-CG 3.3Å; K313-N317 PolarHBondContact O-N 3.02Å; K313-N317 PolarHBondContact O-ND2 3.38Å; K314-N317 PolarHBondContact O-N 3.4Å; L315-N317 PolarHBondContact O-N 3.22Å
318L88.3Confident87.7Confident41 Ų4175.6 Ų75.622%0.21541%0.41CS..Hα-helixtrans-76.8-35179.6-171.667000112.5K314 L315 H316 V325 E329 V330K314-L318 WeakPolarHBondContact O-CB 3.21Å; K314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 3.23Å; L315-L318 VanDerWaalsContact O-N 3.16Å; H316-L318 PolarHBondContact O-N 2.9Å; L318-V325 HydrophobicContact CD2-CG1 4.34Å; L318-V325 HydrophobicContact CG-CG1 4.08Å; L318-E329 HydrophobicContact CD2-CB 4.03Å; L318-V330 HydrophobicContact CD2-CG1 3.72Å; L318-V330 HydrophobicContact CG-CG1 4.38Å
319I87.3Confident87.2Confident44 Ų4478.7 Ų78.723%0.22642%0.424CS..Hα-helixtrans-97.4-34.5-171.4-62.1168.4000112.9Y197 L315 H316 D321 R322 V325 V330 F334Y197-I319 HydrophobicContact CD1-CD1 4.4Å; Y197-I319 HydrophobicContact CE1-CD1 3.84Å; Y197-I319 HydrophobicContact CE1-CG2 4.39Å; Y197-I319 HydrophobicContact CE2-CD1 4.12Å; L315-I319 HydrophobicContact CD2-CD1 4.34Å; L315-I319 WeakPolarHBondContact O-CB 3.25Å; L315-I319 WeakPolarHBondContact O-CG1 3.23Å; L315-I319 PolarHBondContact O-N 2.78Å; H316-I319 PolarHBondContact O-N 3.39Å; I319-D321 VanDerWaalsContact C-N 3.31Å; I319-D321 PolarHBondContact O-N 3.28Å; I319-R322 PolarHBondContact O-N 3.06Å; I319-V325 HydrophobicContact CG1-CG2 4.49Å; I319-V330 HydrophobicContact CD1-CG1 4.27Å; I319-V330 HydrophobicContact CG1-CG1 4.03Å; I319-F334 HydrophobicContact CD1-CE1 4.39Å; I319-F334 HydrophobicContact CD1-CZ 3.87Å
320S77.9Confident86.9Confident91 Ų9173.8 Ų73.864%0.63640%0.404SS*.THydrogen-bonded Turntrans-55.6-41-172.6176.30000113.6H316H316-S320 WeakPolarHBondContact O-CB 3.37Å; H316-S320 PolarHBondContact O-N 3.49Å
321D75.5Confident86.8Confident137 Ų13773.6 Ų73.673%0.73340%0.4SS*.THydrogen-bonded Turntrans-1001.2-168.3-60.2-22000113.8I319I319-D321 VanDerWaalsContact C-N 3.31Å; I319-D321 PolarHBondContact O-N 3.28Å
322R76.5Confident86.8Confident122 Ų12276.9 Ų76.946%0.4642%0.421SS..  trans-126.3119.6-169.7-66.7-176.5-177.1-1783.5111.5I319 A324 V325 E329I319-R322 PolarHBondContact O-N 3.06Å; R322-A324 PolarHBondContact O-N 2.92Å; R322-V325 HydrophobicContact CB-CG2 3.68Å; R322-E329 IonicContact NH1-OE2 3.02Å; R322-E329 PolarHBondContact NH1-OE2 2.71Å
323P73.7Confident86.8Confident144 Ų14477 Ų7794%0.93543%0.425SS*.SBendtrans-67.3-24.2-179.125.9-33.4000113.4
324A76.6Confident86.8Confident85 Ų8572 Ų7270%0.70240%0.403SS*.SBendtrans-143.9123.317200000108.5R322R322-A324 PolarHBondContact O-N 2.92Å
325V81.9Confident87Confident32 Ų3267.6 Ų67.619%0.19439%0.386CS..  trans-107.6133.4177.4-170.60000108.9L318 I319 R322 S327 E329 V330L318-V325 HydrophobicContact CD2-CG1 4.34Å; L318-V325 HydrophobicContact CG-CG1 4.08Å; I319-V325 HydrophobicContact CG1-CG2 4.49Å; R322-V325 HydrophobicContact CB-CG2 3.68Å; V325-S327 PolarHBondContact O-N 3.21Å; V325-E329 HydrophobicContact CG1-CB 4.26Å; V325-V330 HydrophobicContact CB-CG1 3.87Å; V325-V330 HydrophobicContact CG1-CG1 3.46Å; V325-V330 VanDerWaalsContact CG1-CG1 3.46Å
326P85.3Confident87.2Confident60 Ų6071 Ų7139%0.3940%0.402SS..  trans-57.5134175.6-25.835.9000112.6N328 E329 V330P326-N328 WeakPolarHBondContact CB-OD1 3.45Å; P326-N328 PolarHBondContact O-N 3.25Å; P326-N328 VanDerWaalsContact O-N 3.15Å; P326-E329 HydrophobicContact CB-CG 4.42Å; P326-E329 PolarHBondContact O-N 3.48Å; P326-V330 PolarHBondContact O-N 2.71Å
327S85.8Confident87.4Confident59 Ų5968.8 Ų68.841%0.41339%0.391SS..Hα-helixtrans-55.6-34.2-178.1-55.90000113.4V325 E329 V330 Y331V325-S327 PolarHBondContact O-N 3.21Å; S327-E329 PolarHBondContact O-N 3.34Å; S327-V330 PolarHBondContact O-N 3.4Å; S327-Y331 VanDerWaalsContact O-CB 3.22Å; S327-Y331 WeakPolarHBondContact O-CB 3.35Å; S327-Y331 WeakPolarHBondContact O-CD1 3.47Å; S327-Y331 PolarHBondContact O-N 2.96Å
328N87.5Confident87.7Confident121 Ų12163.1 Ų63.165%0.64736%0.361SS*.Hα-helixtrans-66.3-20.8177.762.8-50.2000113.9P326 P332P326-N328 WeakPolarHBondContact CB-OD1 3.45Å; P326-N328 PolarHBondContact O-N 3.25Å; P326-N328 VanDerWaalsContact O-N 3.15Å; N328-P332 WeakPolarHBondContact O-CD 3.47Å; N328-P332 WeakPolarHBondContact O-CG 3.38Å
329E87.4Confident88.1Confident85 Ų8566 Ų6640%0.39738%0.377SS..Hα-helixtrans-88.3-36.6175.8-64.5-173-177.900111.9L318 R322 V325 P326 S327L318-E329 HydrophobicContact CD2-CB 4.03Å; R322-E329 IonicContact NH1-OE2 3.02Å; R322-E329 PolarHBondContact NH1-OE2 2.71Å; V325-E329 HydrophobicContact CG1-CB 4.26Å; P326-E329 HydrophobicContact CB-CG 4.42Å; P326-E329 PolarHBondContact O-N 3.48Å; S327-E329 PolarHBondContact O-N 3.34Å
330V90.7Very high88.6Confident13 Ų1366.5 Ų66.58%0.07938%0.377CS..Hα-helixtrans-90.8-36.5-174.2-70.40000114.3L318 I319 V325 P326 S327 G333 F334L318-V330 HydrophobicContact CD2-CG1 3.72Å; L318-V330 HydrophobicContact CG-CG1 4.38Å; I319-V330 HydrophobicContact CD1-CG1 4.27Å; I319-V330 HydrophobicContact CG1-CG1 4.03Å; V325-V330 HydrophobicContact CB-CG1 3.87Å; V325-V330 HydrophobicContact CG1-CG1 3.46Å; V325-V330 VanDerWaalsContact CG1-CG1 3.46Å; P326-V330 PolarHBondContact O-N 2.71Å; S327-V330 PolarHBondContact O-N 3.4Å; V330-G333 PolarHBondContact O-N 3.45Å; V330-G333 VanDerWaalsContact O-N 3.08Å; V330-F334 HydrophobicContact CB-CD2 4.27Å; V330-F334 HydrophobicContact CB-CE2 3.8Å; V330-F334 HydrophobicContact CB-CZ 4.48Å; V330-F334 HydrophobicContact CG2-CE2 4.14Å; V330-F334 WeakPolarHBondContact O-CD2 3.3Å; V330-F334 PolarHBondContact O-N 3.44Å; V330-F334 VanDerWaalsContact O-N 3.08Å
331Y94Very high89.5Confident53 Ų5362.5 Ų62.521%0.20835%0.348CS..Hα-helixtrans-59.1-42-176.3-74.15.7000113.4I163 L190 S327 G333 F334 L335I163-Y331 HydrophobicContact CG2-CE1 3.73Å; I163-Y331 WeakPolarHBondContact CG2-OH 3.49Å; L190-Y331 HydrophobicContact CD1-CD2 3.96Å; L190-Y331 HydrophobicContact CD1-CE2 4.11Å; L190-Y331 HydrophobicContact CD1-CG 4.27Å; L190-Y331 HydrophobicContact CD2-CD1 3.9Å; L190-Y331 HydrophobicContact CD2-CD2 4.14Å; L190-Y331 HydrophobicContact CD2-CG 3.63Å; S327-Y331 VanDerWaalsContact O-CB 3.22Å; S327-Y331 WeakPolarHBondContact O-CB 3.35Å; S327-Y331 WeakPolarHBondContact O-CD1 3.47Å; S327-Y331 PolarHBondContact O-N 2.96Å; Y331-G333 VanDerWaalsContact C-N 3.26Å; Y331-G333 PolarHBondContact O-N 2.96Å; Y331-F334 HydrophobicContact CD1-CD2 4.34Å; Y331-F334 PolarHBondContact O-N 2.85Å; Y331-L335 WeakPolarHBondContact O-CG 3.37Å; Y331-L335 PolarHBondContact O-N 3.41Å
332P95.6Very high90.5Very high75 Ų7558.6 Ų58.649%0.48733%0.329SS..Hα-helixtrans-57.5-39.2175-25.735.8000112.9N328 Q336N328-P332 WeakPolarHBondContact O-CD 3.47Å; N328-P332 WeakPolarHBondContact O-CG 3.38Å; P332-Q336 VanDerWaalsContact O-CB 3.31Å; P332-Q336 WeakPolarHBondContact O-CB 3.24Å; P332-Q336 PolarHBondContact O-N 3.27Å
333G95.2Very high91.4Very high12 Ų1254.9 Ų54.912%0.12432%0.321CS..Hα-helixtrans-67.8-42.3177.300000112.5V330 Y331 Q336 L337V330-G333 PolarHBondContact O-N 3.45Å; V330-G333 VanDerWaalsContact O-N 3.08Å; Y331-G333 VanDerWaalsContact C-N 3.26Å; Y331-G333 PolarHBondContact O-N 2.96Å; G333-Q336 PolarHBondContact O-N 3.4Å; G333-L337 PolarHBondContact O-N 2.94Å
334F96Very high92.5Very high15 Ų1548 Ų487%0.06628%0.277CS..Hα-helixtrans-64.6-41.9176-66.7-45.8000112.7L190 G193 I194 Y197 L315 I319 V330 Y331 Q336 L337 A338L190-F334 HydrophobicContact CD2-CB 4.23Å; G193-F334 WeakPolarHBondContact CA-O 3.31Å; I194-F334 HydrophobicContact CD1-CD2 4.38Å; I194-F334 HydrophobicContact CD1-CE2 4.49Å; I194-F334 HydrophobicContact CG1-CD1 4.13Å; I194-F334 HydrophobicContact CG1-CD2 3.72Å; I194-F334 HydrophobicContact CG1-CE1 4.21Å; I194-F334 HydrophobicContact CG1-CE2 3.79Å; I194-F334 HydrophobicContact CG1-CG 3.9Å; I194-F334 HydrophobicContact CG1-CZ 4.05Å; Y197-F334 HydrophobicContact CD1-CE1 4.25Å; Y197-F334 HydrophobicContact CD2-CE1 4.48Å; Y197-F334 AromaticContact CG-CE1 3.91Å; Y197-F334 HydrophobicContact CG-CE1 3.91Å; L315-F334 HydrophobicContact CD1-CD1 4.06Å; L315-F334 HydrophobicContact CD1-CE1 4.24Å; L315-F334 HydrophobicContact CD2-CD1 4.43Å; L315-F334 HydrophobicContact CD2-CE1 4.26Å; I319-F334 HydrophobicContact CD1-CE1 4.39Å; I319-F334 HydrophobicContact CD1-CZ 3.87Å; V330-F334 HydrophobicContact CB-CD2 4.27Å; V330-F334 HydrophobicContact CB-CE2 3.8Å; V330-F334 HydrophobicContact CB-CZ 4.48Å; V330-F334 HydrophobicContact CG2-CE2 4.14Å; V330-F334 WeakPolarHBondContact O-CD2 3.3Å; V330-F334 PolarHBondContact O-N 3.44Å; V330-F334 VanDerWaalsContact O-N 3.08Å; Y331-F334 HydrophobicContact CD1-CD2 4.34Å; Y331-F334 PolarHBondContact O-N 2.85Å; F334-Q336 VanDerWaalsContact C-N 3.29Å; F334-Q336 PolarHBondContact O-N 3.32Å; F334-L337 PolarHBondContact O-N 2.89Å; F334-A338 PolarHBondContact O-N 3.34Å
335L96.8Very high93.4Very high54 Ų5446.1 Ų46.128%0.28325%0.254SS..Hα-helixtrans-61.8-40173.7-69174.8000111.3L190 Y331 A338 N339L190-L335 HydrophobicContact CD2-CD1 4.46Å; L190-L335 HydrophobicContact CD2-CD2 3.97Å; L190-L335 HydrophobicContact CD2-CG 3.82Å; L190-L335 HydrophobicContact CG-CD2 3.95Å; L190-L335 HydrophobicContact CG-CG 4.34Å; Y331-L335 WeakPolarHBondContact O-CG 3.37Å; Y331-L335 PolarHBondContact O-N 3.41Å; L335-A338 PolarHBondContact O-N 3.22Å; L335-N339 VanDerWaalsContact O-CG 3.26Å; L335-N339 PolarHBondContact O-N 2.96Å; L335-N339 PolarHBondContact O-ND2 3.06Å
336Q97.3Very high94.1Very high78 Ų7845.8 Ų45.836%0.36425%0.25SS..Hα-helixtrans-65.5-42.8177.4-167.7179.229.600112.1C311 P332 G333 F334 A338 N339 Y340C311-Q336 PolarHBondContact SG-OE1 2.83Å; C311-Q336 VanDerWaalsContact SG-OE1 3.36Å; P332-Q336 VanDerWaalsContact O-CB 3.31Å; P332-Q336 WeakPolarHBondContact O-CB 3.24Å; P332-Q336 PolarHBondContact O-N 3.27Å; G333-Q336 PolarHBondContact O-N 3.4Å; F334-Q336 VanDerWaalsContact C-N 3.29Å; F334-Q336 PolarHBondContact O-N 3.32Å; Q336-A338 VanDerWaalsContact C-N 3.31Å; Q336-A338 PolarHBondContact O-N 3.49Å; Q336-N339 PolarHBondContact O-N 3.4Å; Q336-Y340 HydrophobicContact CG-CD2 4.04Å; Q336-Y340 HydrophobicContact CG-CE2 3.44Å; Q336-Y340 VanDerWaalsContact CG-CE2 3.44Å; Q336-Y340 PolarHBondContact NE2-OH 3.17Å; Q336-Y340 VanDerWaalsContact O-CD2 3.23Å; Q336-Y340 WeakPolarHBondContact O-CD2 3.28Å; Q336-Y340 PolarHBondContact O-N 2.96Å
337L96.9Very high94.6Very high0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-58.2-43.7172.5-76.1-177.2000112F308 C311 M312 L315 G333 F334 N339 Y340 W341F308-L337 HydrophobicContact CD2-CD2 3.9Å; F308-L337 HydrophobicContact CE2-CD2 3.79Å; F308-L337 HydrophobicContact CG-CD2 4.49Å; F308-L337 HydrophobicContact CZ-CD2 4.29Å; C311-L337 HydrophobicContact CB-CD2 3.87Å; M312-L337 HydrophobicContact CB-CD2 4.45Å; M312-L337 HydrophobicContact CE-CD1 3.95Å; M312-L337 HydrophobicContact CE-CD2 4.09Å; M312-L337 HydrophobicContact SD-CD1 3.89Å; M312-L337 HydrophobicContact SD-CD2 4.48Å; L315-L337 HydrophobicContact CD1-CD1 3.28Å; L315-L337 HydrophobicContact CD1-CG 3.74Å; G333-L337 PolarHBondContact O-N 2.94Å; F334-L337 PolarHBondContact O-N 2.89Å; L337-N339 VanDerWaalsContact C-N 3.33Å; L337-N339 PolarHBondContact O-N 3.33Å; L337-Y340 PolarHBondContact O-N 3.47Å; L337-W341 WeakPolarHBondContact O-CB 3.45Å; L337-W341 PolarHBondContact O-N 3.47Å
338A96.4Very high95.1Very high4 Ų443.9 Ų43.93%0.03323%0.231CC..Hα-helixtrans-63.4-39178.400000112.3G189 T192 F334 L335 Q336 W341 T342G189-A338 VanDerWaalsContact O-CB 3.22Å; G189-A338 WeakPolarHBondContact O-CB 3.38Å; T192-A338 HydrophobicContact CG2-CB 3.79Å; F334-A338 PolarHBondContact O-N 3.34Å; L335-A338 PolarHBondContact O-N 3.22Å; Q336-A338 VanDerWaalsContact C-N 3.31Å; Q336-A338 PolarHBondContact O-N 3.49Å; A338-W341 PolarHBondContact O-N 3.15Å; A338-T342 PolarHBondContact O-N 2.92Å; A338-T342 PolarHBondContact O-OG1 3.5Å
339N96.7Very high95.5Very high102 Ų10240 Ų4055%0.54521%0.212SC..Hα-helixtrans-64.7-47.3176.1-68.4-18.7000111.5L335 Q336 L337 W341 T342 S343L335-N339 VanDerWaalsContact O-CG 3.26Å; L335-N339 PolarHBondContact O-N 2.96Å; L335-N339 PolarHBondContact O-ND2 3.06Å; Q336-N339 PolarHBondContact O-N 3.4Å; L337-N339 VanDerWaalsContact C-N 3.33Å; L337-N339 PolarHBondContact O-N 3.33Å; N339-W341 VanDerWaalsContact C-N 3.28Å; N339-W341 PolarHBondContact O-N 3.32Å; N339-T342 WeakPolarHBondContact O-CB 3.36Å; N339-T342 PolarHBondContact O-N 2.72Å; N339-S343 PolarHBondContact O-N 3.02Å; N339-S343 PolarHBondContact O-OG 3.16Å
340Y97.4Very high95.9Very high54 Ų5436.2 Ų36.221%0.21219%0.194CC..Hα-helixtrans-61-38.5175.7-69.3-46.1000112.3C311 Q336 L337 S343 L344C311-Y340 HydrophobicContact CB-CD2 4.35Å; C311-Y340 HydrophobicContact CB-CE2 4.03Å; Q336-Y340 HydrophobicContact CG-CD2 4.04Å; Q336-Y340 HydrophobicContact CG-CE2 3.44Å; Q336-Y340 VanDerWaalsContact CG-CE2 3.44Å; Q336-Y340 PolarHBondContact NE2-OH 3.17Å; Q336-Y340 VanDerWaalsContact O-CD2 3.23Å; Q336-Y340 WeakPolarHBondContact O-CD2 3.28Å; Q336-Y340 PolarHBondContact O-N 2.96Å; L337-Y340 PolarHBondContact O-N 3.47Å; Y340-S343 WeakPolarHBondContact O-CB 3.3Å; Y340-S343 PolarHBondContact O-N 2.99Å; Y340-L344 WeakPolarHBondContact O-CG 3.42Å; Y340-L344 PolarHBondContact O-N 3.23Å
341W97.1Very high96.2Very high8 Ų836.1 Ų36.13%0.0319%0.193CC..Hα-helixtrans-65.5-40.2175.5-167.7-93000112.6L144 L196 I208 D209 L211 P212 F308 L337 A338 N339 S343 L344 Q345L144-W341 HydrophobicContact CD2-CZ2 4.21Å; L196-W341 HydrophobicContact CD1-CB 3.59Å; L196-W341 HydrophobicContact CD1-CD2 3.95Å; L196-W341 HydrophobicContact CD1-CE3 4.15Å; L196-W341 HydrophobicContact CD1-CG 3.71Å; L196-W341 HydrophobicContact CD2-CD2 3.54Å; L196-W341 HydrophobicContact CD2-CE3 3.49Å; L196-W341 VanDerWaalsContact CD2-CE3 3.49Å; L196-W341 HydrophobicContact CD2-CG 4.13Å; L196-W341 HydrophobicContact CD2-CH2 4.05Å; L196-W341 HydrophobicContact CD2-CZ2 4.1Å; L196-W341 HydrophobicContact CD2-CZ3 3.76Å; L196-W341 HydrophobicContact CG-CD2 4.39Å; L196-W341 HydrophobicContact CG-CE3 4.47Å; I208-W341 HydrophobicContact CG2-CH2 3.82Å; I208-W341 HydrophobicContact CG2-CZ2 3.56Å; D209-W341 WeakPolarHBondContact O-CH2 2.98Å; D209-W341 WeakPolarHBondContact O-CZ2 3.22Å; L211-W341 HydrophobicContact CB-CH2 4.11Å; L211-W341 HydrophobicContact CB-CZ2 4.23Å; L211-W341 HydrophobicContact CD1-CD2 4.34Å; L211-W341 HydrophobicContact CD1-CH2 4.27Å; L211-W341 HydrophobicContact CD1-CZ2 3.58Å; L211-W341 HydrophobicContact CG-CH2 3.98Å; L211-W341 HydrophobicContact CG-CZ2 3.62Å; P212-W341 HydrophobicContact CG-CZ3 4.4Å; F308-W341 AromaticContact CE2-CE3 3.95Å; F308-W341 HydrophobicContact CE2-CE3 3.95Å; F308-W341 HydrophobicContact CZ-CE3 4.03Å; F308-W341 HydrophobicContact CZ-CZ3 4.3Å; L337-W341 WeakPolarHBondContact O-CB 3.45Å; L337-W341 PolarHBondContact O-N 3.47Å; A338-W341 PolarHBondContact O-N 3.15Å; N339-W341 VanDerWaalsContact C-N 3.28Å; N339-W341 PolarHBondContact O-N 3.32Å; W341-S343 VanDerWaalsContact C-N 3.3Å; W341-S343 PolarHBondContact O-N 3.07Å; W341-L344 HydrophobicContact CE3-CD1 4.14Å; W341-L344 HydrophobicContact CZ3-CD1 4.46Å; W341-L344 WeakPolarHBondContact O-CB 3.37Å; W341-L344 PolarHBondContact O-N 3.12Å; W341-L344 VanDerWaalsContact O-N 3.17Å; W341-Q345 WeakPolarHBondContact O-CG 3.43Å; W341-Q345 PolarHBondContact O-N 2.93Å
342T95.3Very high96.2Very high54 Ų5436.8 Ų36.833%0.33121%0.205SC..Hα-helixtrans-61-42.7174.3-53.40000110.2A338 N339 L344 Q345 D346A338-T342 PolarHBondContact O-N 2.92Å; A338-T342 PolarHBondContact O-OG1 3.5Å; N339-T342 WeakPolarHBondContact O-CB 3.36Å; N339-T342 PolarHBondContact O-N 2.72Å; T342-L344 VanDerWaalsContact C-N 3.33Å; T342-L344 PolarHBondContact O-N 3.31Å; T342-Q345 WeakPolarHBondContact O-CB 3.47Å; T342-Q345 PolarHBondContact O-N 3.45Å; T342-Q345 VanDerWaalsContact O-N 3.11Å; T342-D346 VanDerWaalsContact O-CG 3.28Å; T342-D346 PolarHBondContact O-N 3.38Å
343S96.4Very high96.1Very high44 Ų4434.6 Ų34.631%0.30819%0.19SC..Hα-helixtrans-60.5-39.7174.1-55.90000112.6N339 Y340 W341 D346 E347N339-S343 PolarHBondContact O-N 3.02Å; N339-S343 PolarHBondContact O-OG 3.16Å; Y340-S343 WeakPolarHBondContact O-CB 3.3Å; Y340-S343 PolarHBondContact O-N 2.99Å; W341-S343 VanDerWaalsContact C-N 3.3Å; W341-S343 PolarHBondContact O-N 3.07Å; S343-D346 WeakPolarHBondContact O-CB 3.45Å; S343-D346 PolarHBondContact O-N 2.94Å; S343-E347 WeakPolarHBondContact O-CG 3.39Å; S343-E347 PolarHBondContact O-N 3.29Å
344L97.2Very high96.1Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-65.7-37.3173.6-66.8169.3000112.4L211 P212 L215 I304 I305 Y340 W341 T342 D346 E347 M348L211-L344 HydrophobicContact CB-CB 4.22Å; L211-L344 HydrophobicContact CD1-CB 4.25Å; P212-L344 HydrophobicContact CG-CD1 3.86Å; L215-L344 HydrophobicContact CD1-CB 4.18Å; L215-L344 HydrophobicContact CD1-CD2 3.82Å; I304-L344 HydrophobicContact CB-CD2 4.28Å; I304-L344 HydrophobicContact CG2-CD1 4.4Å; I304-L344 HydrophobicContact CG2-CD2 3.68Å; I304-L344 HydrophobicContact CG2-CG 3.71Å; I305-L344 HydrophobicContact CG1-CD2 4.25Å; Y340-L344 WeakPolarHBondContact O-CG 3.42Å; Y340-L344 PolarHBondContact O-N 3.23Å; W341-L344 HydrophobicContact CE3-CD1 4.14Å; W341-L344 HydrophobicContact CZ3-CD1 4.46Å; W341-L344 WeakPolarHBondContact O-CB 3.37Å; W341-L344 PolarHBondContact O-N 3.12Å; W341-L344 VanDerWaalsContact O-N 3.17Å; T342-L344 VanDerWaalsContact C-N 3.33Å; T342-L344 PolarHBondContact O-N 3.31Å; L344-D346 VanDerWaalsContact C-N 3.32Å; L344-E347 PolarHBondContact O-N 3.46Å; L344-M348 WeakPolarHBondContact O-CB 3.36Å; L344-M348 PolarHBondContact O-N 2.53Å
345Q95.6Very high96Very high46 Ų4635.3 Ų35.322%0.21519%0.193CC..Hα-helixtrans-63-41.1173.4-71.5171.5-41.300111S142 L211 W341 T342 M348 V349S142-Q345 PolarHBondContact O-NE2 3.41Å; L211-Q345 HydrophobicContact CD1-CB 4.41Å; L211-Q345 HydrophobicContact CD1-CG 3.47Å; L211-Q345 VanDerWaalsContact CD1-CG 3.47Å; W341-Q345 WeakPolarHBondContact O-CG 3.43Å; W341-Q345 PolarHBondContact O-N 2.93Å; T342-Q345 WeakPolarHBondContact O-CB 3.47Å; T342-Q345 PolarHBondContact O-N 3.45Å; T342-Q345 VanDerWaalsContact O-N 3.11Å; Q345-M348 WeakPolarHBondContact O-CB 3.23Å; Q345-M348 PolarHBondContact O-N 3.26Å; Q345-V349 WeakPolarHBondContact O-CG2 3.37Å; Q345-V349 PolarHBondContact O-N 3.43Å
346D95.9Very high95.9Very high24 Ų2435.9 Ų35.913%0.12820%0.202CC..Hα-helixtrans-62-45.3176.9-68.5-18.5000111.5L98 H102 T342 S343 L344 M348 V349 Y350L98-D346 HydrophobicContact CD1-CB 4.1Å; L98-D346 HydrophobicContact CD2-CB 3.78Å; H102-D346 IonicContact CD2-OD1 2.7Å; H102-D346 IonicContact CE1-OD1 3.34Å; H102-D346 PolarHBondContact CE1-OD1 2.88Å; H102-D346 IonicContact CE1-OD2 3.3Å; H102-D346 PolarHBondContact CE1-OD2 2.98Å; H102-D346 VanDerWaalsContact CE1-OD2 3.29Å; H102-D346 IonicContact NE2-OD1 3.66Å; H102-D346 PolarHBondContact NE2-OD1 3.41Å; H102-D346 IonicContact NE2-OD2 2.83Å; H102-D346 PolarHBondContact NE2-OD2 3.27Å; T342-D346 VanDerWaalsContact O-CG 3.28Å; T342-D346 PolarHBondContact O-N 3.38Å; S343-D346 WeakPolarHBondContact O-CB 3.45Å; S343-D346 PolarHBondContact O-N 2.94Å; L344-D346 VanDerWaalsContact C-N 3.32Å; D346-M348 VanDerWaalsContact C-N 3.31Å; D346-M348 PolarHBondContact O-N 3.27Å; D346-V349 PolarHBondContact O-N 3.39Å; D346-Y350 WeakPolarHBondContact O-CB 3.42Å; D346-Y350 PolarHBondContact O-N 3.26Å
347E96.3Very high95.7Very high10 Ų1032.4 Ų32.45%0.04719%0.186CC..Hα-helixtrans-59.1-42.1173.7-65.9-46.414000112.1K94 L215 M297 I301 I304 S343 L344 Y350 L351K94-E347 WeakPolarHBondContact CE-OE1 3.33Å; K94-E347 IonicContact NZ-OE1 3.25Å; K94-E347 PolarHBondContact NZ-OE1 2.95Å; K94-E347 IonicContact NZ-OE2 2.67Å; K94-E347 PolarHBondContact NZ-OE2 3.21Å; L215-E347 HydrophobicContact CD1-CB 4Å; L215-E347 HydrophobicContact CD2-CB 4.09Å; M297-E347 WeakPolarHBondContact CG-OE2 3.43Å; I301-E347 HydrophobicContact CG1-CB 4.28Å; I301-E347 HydrophobicContact CG1-CG 3.97Å; I304-E347 HydrophobicContact CD1-CG 4.29Å; S343-E347 WeakPolarHBondContact O-CG 3.39Å; S343-E347 PolarHBondContact O-N 3.29Å; L344-E347 PolarHBondContact O-N 3.46Å; E347-Y350 PolarHBondContact O-N 3.34Å; E347-L351 WeakPolarHBondContact O-CB 3.27Å; E347-L351 PolarHBondContact O-N 3.48Å
348M96Very high95.6Very high70 Ų7032.7 Ų32.735%0.34519%0.188SC..Hα-helixtrans-65-42.8-179.7-173.167-176.900112L211 L215 L344 Q345 D346 S352L211-M348 HydrophobicContact CD2-CG 4.48Å; L215-M348 HydrophobicContact CD2-CB 4.18Å; L215-M348 HydrophobicContact CD2-SD 3.98Å; L215-M348 HydrophobicContact CG-SD 4.37Å; L344-M348 WeakPolarHBondContact O-CB 3.36Å; L344-M348 PolarHBondContact O-N 2.53Å; Q345-M348 WeakPolarHBondContact O-CB 3.23Å; Q345-M348 PolarHBondContact O-N 3.26Å; D346-M348 VanDerWaalsContact C-N 3.31Å; D346-M348 PolarHBondContact O-N 3.27Å; M348-S352 PolarHBondContact O-N 3.39Å; M348-S352 VanDerWaalsContact O-N 3.09Å
349V95Very high95.4Very high40 Ų4036.8 Ų36.824%0.24221%0.209CC..Hα-helixtrans-65.2-43.4175.9177.40000109.8F97 Q345 D346 S352 V353F97-V349 HydrophobicContact CE1-CG1 3.85Å; F97-V349 HydrophobicContact CZ-CG1 3.94Å; Q345-V349 WeakPolarHBondContact O-CG2 3.37Å; Q345-V349 PolarHBondContact O-N 3.43Å; D346-V349 PolarHBondContact O-N 3.39Å; V349-S352 WeakPolarHBondContact O-CB 3.25Å; V349-S352 PolarHBondContact O-N 3.32Å; V349-S352 PolarHBondContact O-OG 3.14Å; V349-V353 PolarHBondContact O-N 2.9Å
350Y96.2Very high95.2Very high5 Ų533.7 Ų33.72%0.0219%0.194CC..Hα-helixtrans-64.4-43.4179.1-167.9-122.3000112.2K94 F97 E293 M297 D346 E347 S352 V353 L354K94-Y350 HydrophobicContact CB-CD1 4.43Å; K94-Y350 HydrophobicContact CB-CE1 3.96Å; K94-Y350 HydrophobicContact CB-CE2 4Å; K94-Y350 HydrophobicContact CD-CD1 3.82Å; K94-Y350 HydrophobicContact CD-CE1 3.88Å; K94-Y350 HydrophobicContact CD-CG 4.45Å; K94-Y350 HydrophobicContact CG-CD1 3.91Å; K94-Y350 HydrophobicContact CG-CD2 4.26Å; K94-Y350 HydrophobicContact CG-CE1 3.93Å; K94-Y350 HydrophobicContact CG-CE2 4.23Å; K94-Y350 HydrophobicContact CG-CG 4.12Å; F97-Y350 AromaticContact CD1-CD2 3.86Å; F97-Y350 HydrophobicContact CD1-CD2 3.86Å; F97-Y350 HydrophobicContact CE1-CD2 4.37Å; E293-Y350 VanDerWaalsContact CD-OH 3.3Å; E293-Y350 PolarHBondContact OE2-OH 2.93Å; M297-Y350 HydrophobicContact CE-CD1 3.4Å; M297-Y350 VanDerWaalsContact CE-CD1 3.4Å; M297-Y350 HydrophobicContact CE-CE1 4.23Å; M297-Y350 HydrophobicContact CE-CG 4.2Å; D346-Y350 WeakPolarHBondContact O-CB 3.42Å; D346-Y350 PolarHBondContact O-N 3.26Å; E347-Y350 PolarHBondContact O-N 3.34Å; Y350-S352 VanDerWaalsContact C-N 3.28Å; Y350-S352 PolarHBondContact O-N 3.45Å; Y350-V353 WeakPolarHBondContact O-CB 3.42Å; Y350-V353 PolarHBondContact O-N 2.91Å; Y350-L354 HydrophobicContact CD1-CD1 4.12Å; Y350-L354 HydrophobicContact CD1-CG 4.44Å; Y350-L354 HydrophobicContact CE1-CD1 3.79Å; Y350-L354 HydrophobicContact CE1-CD2 4.27Å; Y350-L354 HydrophobicContact CE1-CG 4.13Å; Y350-L354 HydrophobicContact CE2-CD2 4.48Å; Y350-L354 PolarHBondContact O-N 3.16Å
351L96.1Very high95.1Very high11 Ų1131.1 Ų31.16%0.05818%0.184CC..Hα-helixtrans-54.9-44.7173178.159.6000111.2L215 V219 L294 M297 E347 V353 L354 T355L215-L351 HydrophobicContact CD2-CD2 4.16Å; V219-L351 HydrophobicContact CG2-CD1 4.16Å; V219-L351 HydrophobicContact CG2-CD2 3.86Å; L294-L351 HydrophobicContact CD2-CD1 3.64Å; M297-L351 HydrophobicContact CE-CB 4.12Å; M297-L351 HydrophobicContact SD-CB 4Å; M297-L351 HydrophobicContact SD-CD1 4.21Å; E347-L351 WeakPolarHBondContact O-CB 3.27Å; E347-L351 PolarHBondContact O-N 3.48Å; L351-V353 VanDerWaalsContact C-N 3.26Å; L351-V353 PolarHBondContact O-N 2.93Å; L351-L354 PolarHBondContact O-N 3.26Å; L351-L354 VanDerWaalsContact O-N 3.14Å; L351-T355 PolarHBondContact O-N 3.41Å; L351-T355 PolarHBondContact O-OG1 3.15Å; L351-T355 VanDerWaalsContact O-OG1 3.04Å
352S94.5Very high94.8Very high67 Ų6733.3 Ų33.347%0.46919%0.194SC..Hα-helixtrans-60.8-35.2178.480.30000113.1M348 V349 Y350 S356M348-S352 PolarHBondContact O-N 3.39Å; M348-S352 VanDerWaalsContact O-N 3.09Å; V349-S352 WeakPolarHBondContact O-CB 3.25Å; V349-S352 PolarHBondContact O-N 3.32Å; V349-S352 PolarHBondContact O-OG 3.14Å; Y350-S352 VanDerWaalsContact C-N 3.28Å; Y350-S352 PolarHBondContact O-N 3.45Å; S352-S356 VanDerWaalsContact O-CB 3.25Å; S352-S356 WeakPolarHBondContact O-CB 3.33Å; S352-S356 PolarHBondContact O-N 3.43Å
353V94.3Very high94.6Very high28 Ų2833.3 Ų33.317%0.1719%0.194CC..Hα-helixtrans-69.3-43.2175173.90000110.9F97 V349 Y350 L351 S356 T357F97-V353 HydrophobicContact CE1-CG2 3.99Å; F97-V353 HydrophobicContact CE2-CG2 3.8Å; F97-V353 HydrophobicContact CZ-CG2 3.41Å; F97-V353 VanDerWaalsContact CZ-CG2 3.41Å; V349-V353 PolarHBondContact O-N 2.9Å; Y350-V353 WeakPolarHBondContact O-CB 3.42Å; Y350-V353 PolarHBondContact O-N 2.91Å; L351-V353 VanDerWaalsContact C-N 3.26Å; L351-V353 PolarHBondContact O-N 2.93Å; V353-S356 PolarHBondContact O-N 3.3Å; V353-T357 VanDerWaalsContact O-CB 3.31Å; V353-T357 WeakPolarHBondContact O-CB 3.37Å; V353-T357 PolarHBondContact O-N 2.91Å; V353-T357 PolarHBondContact O-OG1 3.36Å
354L95.2Very high94.3Very high0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-62.7-46.2177.1-64.9-176.9000111.4I290 E293 L294 M297 Y350 L351 S356 T357 L358I290-L354 HydrophobicContact CG2-CB 4.23Å; I290-L354 HydrophobicContact CG2-CD1 4.48Å; I290-L354 HydrophobicContact CG2-CD2 4.35Å; E293-L354 HydrophobicContact CB-CD1 4.4Å; E293-L354 WeakPolarHBondContact OE2-CD2 3.3Å; L294-L354 HydrophobicContact CD2-CD1 3.76Å; L294-L354 HydrophobicContact CG-CD1 4.06Å; M297-L354 HydrophobicContact CE-CD1 4.09Å; Y350-L354 HydrophobicContact CD1-CD1 4.12Å; Y350-L354 HydrophobicContact CD1-CG 4.44Å; Y350-L354 HydrophobicContact CE1-CD1 3.79Å; Y350-L354 HydrophobicContact CE1-CD2 4.27Å; Y350-L354 HydrophobicContact CE1-CG 4.13Å; Y350-L354 HydrophobicContact CE2-CD2 4.48Å; Y350-L354 PolarHBondContact O-N 3.16Å; L351-L354 PolarHBondContact O-N 3.26Å; L351-L354 VanDerWaalsContact O-N 3.14Å; L354-S356 PolarHBondContact O-N 2.92Å; L354-T357 PolarHBondContact O-N 2.98Å; L354-L358 WeakPolarHBondContact O-CB 3.41Å; L354-L358 PolarHBondContact O-N 2.65Å
355T94.2Very high94.1Very high42 Ų4234 Ų3426%0.25819%0.191SC..Hα-helixtrans-62.5-41.9175.9-52.80000111.6L351 L358 N359L351-T355 PolarHBondContact O-N 3.41Å; L351-T355 PolarHBondContact O-OG1 3.15Å; L351-T355 VanDerWaalsContact O-OG1 3.04Å; T355-L358 PolarHBondContact O-N 3.02Å; T355-N359 WeakPolarHBondContact O-CB 3.47Å; T355-N359 VanDerWaalsContact O-CG 3.25Å; T355-N359 PolarHBondContact O-N 3.15Å; T355-N359 PolarHBondContact O-ND2 3.04Å; T355-N359 VanDerWaalsContact O-ND2 3.14Å
356S94Very high93.6Very high67 Ų6732.3 Ų32.347%0.46918%0.183SC..Hα-helixtrans-64.1-40.4175.5-176.10000112.3S352 V353 L354 T360S352-S356 VanDerWaalsContact O-CB 3.25Å; S352-S356 WeakPolarHBondContact O-CB 3.33Å; S352-S356 PolarHBondContact O-N 3.43Å; V353-S356 PolarHBondContact O-N 3.3Å; L354-S356 PolarHBondContact O-N 2.92Å; S356-T360 PolarHBondContact O-N 3.37Å; S356-T360 VanDerWaalsContact O-N 3.09Å; S356-T360 PolarHBondContact O-OG1 2.95Å
357T94.2Very high92.7Very high4 Ų432.7 Ų32.73%0.02519%0.193CC..Hα-helixtrans-62.9-49.4176.3-60.40000109.9F86 F87 I290 V353 L354 N359 T360 L361F86-T357 HydrophobicContact CE1-CG2 4.01Å; F87-T357 HydrophobicContact CD2-CG2 4.23Å; F87-T357 HydrophobicContact CE2-CG2 4.44Å; I290-T357 HydrophobicContact CD1-CG2 4.3Å; V353-T357 VanDerWaalsContact O-CB 3.31Å; V353-T357 WeakPolarHBondContact O-CB 3.37Å; V353-T357 PolarHBondContact O-N 2.91Å; V353-T357 PolarHBondContact O-OG1 3.36Å; L354-T357 PolarHBondContact O-N 2.98Å; T357-N359 PolarHBondContact O-N 3.28Å; T357-T360 PolarHBondContact O-N 3.07Å; T357-T360 VanDerWaalsContact O-N 3.14Å; T357-L361 HydrophobicContact CG2-CD1 4.07Å; T357-L361 HydrophobicContact CG2-CG 4.23Å; T357-L361 VanDerWaalsContact O-CG 3.3Å; T357-L361 WeakPolarHBondContact O-CG 3.33Å; T357-L361 PolarHBondContact O-N 3.43Å
358L94Very high91.6Very high7 Ų739.2 Ų39.24%0.03722%0.217CC..Hα-helixtrans-54.1-51.8175.5175.162.6000111.9T222 T225 I226 L287 L354 T355 T360 L361 Q362T222-L358 HydrophobicContact CG2-CD2 4.44Å; T225-L358 HydrophobicContact CG2-CD2 4.27Å; I226-L358 HydrophobicContact CD1-CD2 4.19Å; I226-L358 HydrophobicContact CG1-CD1 4.06Å; I226-L358 HydrophobicContact CG1-CD2 3.63Å; I226-L358 HydrophobicContact CG1-CG 4.47Å; L287-L358 HydrophobicContact CD2-CD1 3.31Å; L354-L358 WeakPolarHBondContact O-CB 3.41Å; L354-L358 PolarHBondContact O-N 2.65Å; T355-L358 PolarHBondContact O-N 3.02Å; L358-T360 PolarHBondContact O-N 3.37Å; L358-L361 PolarHBondContact O-N 3.02Å; L358-Q362 PolarHBondContact O-N 2.88Å
359N93Very high90.3Very high89 Ų8941 Ų4148%0.47623%0.225SC..Hα-helixtrans-57.5-37.5179.5-75.3-31.8000112.3T355 T357T355-N359 WeakPolarHBondContact O-CB 3.47Å; T355-N359 VanDerWaalsContact O-CG 3.25Å; T355-N359 PolarHBondContact O-N 3.15Å; T355-N359 PolarHBondContact O-ND2 3.04Å; T355-N359 VanDerWaalsContact O-ND2 3.14Å; T357-N359 PolarHBondContact O-N 3.28Å
360T92.6Very high88.7Confident38 Ų3841 Ų4123%0.23323%0.226CC..Hα-helixtrans-77.7-40.8179.3-51.20000111.8F86 S356 T357 L358 Q362 T363 Y364F86-T360 HydrophobicContact CD1-CG2 4.11Å; F86-T360 HydrophobicContact CD2-CG2 3.87Å; F86-T360 HydrophobicContact CE1-CG2 3.68Å; F86-T360 HydrophobicContact CE2-CG2 3.43Å; F86-T360 VanDerWaalsContact CE2-CG2 3.43Å; F86-T360 HydrophobicContact CG-CG2 4.2Å; F86-T360 HydrophobicContact CZ-CG2 3.33Å; S356-T360 PolarHBondContact O-N 3.37Å; S356-T360 VanDerWaalsContact O-N 3.09Å; S356-T360 PolarHBondContact O-OG1 2.95Å; T357-T360 PolarHBondContact O-N 3.07Å; T357-T360 VanDerWaalsContact O-N 3.14Å; L358-T360 PolarHBondContact O-N 3.37Å; T360-Q362 PolarHBondContact O-N 3.48Å; T360-T363 WeakPolarHBondContact O-CB 3.04Å; T360-T363 PolarHBondContact O-N 3.23Å; T360-T363 PolarHBondContact O-OG1 2.96Å; T360-Y364 HydrophobicContact CG2-CE2 4.01Å; T360-Y364 WeakPolarHBondContact O-CD2 3.43Å
361L93.9Very high87.2Confident0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-56.2-41.1174.5-71.8175.3000111.3M83 F86 F87 Y283 F286 I290 T357 L358 T363 Y364 F365M83-L361 HydrophobicContact CG-CD2 3.51Å; M83-L361 HydrophobicContact SD-CD2 4.37Å; F86-L361 HydrophobicContact CD1-CD2 3.96Å; F86-L361 HydrophobicContact CD1-CG 4.44Å; F86-L361 HydrophobicContact CE1-CD2 4.43Å; F86-L361 HydrophobicContact CE1-CG 4.44Å; F87-L361 HydrophobicContact CB-CD2 4.31Å; F87-L361 HydrophobicContact CD2-CD1 3.95Å; F87-L361 HydrophobicContact CD2-CD2 4.1Å; F87-L361 HydrophobicContact CE2-CD1 4.24Å; Y283-L361 HydrophobicContact CD2-CB 4.28Å; Y283-L361 HydrophobicContact CE2-CB 3.94Å; F286-L361 HydrophobicContact CB-CD1 4.08Å; F286-L361 HydrophobicContact CD2-CD2 4.19Å; I290-L361 HydrophobicContact CD1-CD1 3.84Å; T357-L361 HydrophobicContact CG2-CD1 4.07Å; T357-L361 HydrophobicContact CG2-CG 4.23Å; T357-L361 VanDerWaalsContact O-CG 3.3Å; T357-L361 WeakPolarHBondContact O-CG 3.33Å; T357-L361 PolarHBondContact O-N 3.43Å; L358-L361 PolarHBondContact O-N 3.02Å; L361-T363 PolarHBondContact O-N 3.17Å; L361-T363 VanDerWaalsContact O-N 3.11Å; L361-Y364 PolarHBondContact O-N 3.18Å; L361-F365 PolarHBondContact O-N 2.7Å
362Q91.7Very high86.1Confident54 Ų5446 Ų4625%0.25225%0.247SC..THydrogen-bonded Turntrans-60.3-21.9177.5-159.7-174.735.600113.2E229 L358 T360 Y364 R368E229-Q362 PolarHBondContact OE1-NE2 3.11Å; E229-Q362 PolarHBondContact OE2-NE2 3Å; L358-Q362 PolarHBondContact O-N 2.88Å; T360-Q362 PolarHBondContact O-N 3.48Å; Q362-Y364 VanDerWaalsContact C-N 3.29Å; Q362-Y364 PolarHBondContact O-N 3.39Å; Q362-R368 WeakPolarHBondContact O-CD 3.3Å
363T90.6Very high85.1Confident54 Ų5446.4 Ų46.433%0.33125%0.247SC..THydrogen-bonded Turntrans-73.2-21175.970.90000113.6T360 L361 H369T360-T363 WeakPolarHBondContact O-CB 3.04Å; T360-T363 PolarHBondContact O-N 3.23Å; T360-T363 PolarHBondContact O-OG1 2.96Å; L361-T363 PolarHBondContact O-N 3.17Å; L361-T363 VanDerWaalsContact O-N 3.11Å; T363-H369 PolarHBondContact O-CD2 2.85Å; T363-H369 PolarHBondContact O-NE2 3.08Å
364Y91Very high84.1Confident53 Ų5349.8 Ų49.821%0.20826%0.259CS..SBendtrans-102.1-1178.6-53.4-61.8000113.1K82 M83 F86 N279 T360 L361 Q362K82-Y364 HydrophobicContact CB-CD1 3.75Å; K82-Y364 HydrophobicContact CB-CE1 3.68Å; K82-Y364 HydrophobicContact CB-CG 4.36Å; K82-Y364 HydrophobicContact CD-CD1 4.3Å; K82-Y364 HydrophobicContact CD-CE1 4.11Å; K82-Y364 HydrophobicContact CG-CE1 4.42Å; M83-Y364 HydrophobicContact CB-CD2 4.07Å; M83-Y364 HydrophobicContact CB-CG 4.14Å; M83-Y364 HydrophobicContact CG-CD2 4.39Å; F86-Y364 HydrophobicContact CB-CE2 3.98Å; F86-Y364 HydrophobicContact CD1-CE2 4.41Å; F86-Y364 HydrophobicContact CG-CE2 4.06Å; N279-Y364 PolarHBondContact ND2-O 2.86Å; T360-Y364 HydrophobicContact CG2-CE2 4.01Å; T360-Y364 WeakPolarHBondContact O-CD2 3.43Å; L361-Y364 PolarHBondContact O-N 3.18Å; Q362-Y364 VanDerWaalsContact C-N 3.29Å; Q362-Y364 PolarHBondContact O-N 3.39Å
365F91.7Very high83Confident6 Ų657.3 Ų57.33%0.02630%0.295CS..  trans-78.3127.9179.5176.8-131.4000110.8L236 A280 Y283 L361 G367 R368L236-F365 HydrophobicContact CD1-CE1 4.19Å; L236-F365 HydrophobicContact CD1-CE2 4.24Å; L236-F365 HydrophobicContact CD1-CZ 3.6Å; A280-F365 HydrophobicContact CB-CE2 4.34Å; Y283-F365 HydrophobicContact CD1-CB 4.22Å; Y283-F365 HydrophobicContact CD1-CD1 4.12Å; Y283-F365 AromaticContact CD1-CD2 3.35Å; Y283-F365 HydrophobicContact CD1-CD2 3.35Å; Y283-F365 HydrophobicContact CD1-CE1 4.29Å; Y283-F365 AromaticContact CD1-CE2 3.56Å; Y283-F365 HydrophobicContact CD1-CE2 3.56Å; Y283-F365 AromaticContact CD1-CG 3.65Å; Y283-F365 HydrophobicContact CD1-CG 3.65Å; Y283-F365 HydrophobicContact CD1-CZ 4.02Å; Y283-F365 HydrophobicContact CD2-CB 4.2Å; Y283-F365 HydrophobicContact CD2-CG 4.49Å; Y283-F365 HydrophobicContact CE1-CB 4.21Å; Y283-F365 AromaticContact CE1-CD1 3.78Å; Y283-F365 HydrophobicContact CE1-CD1 3.78Å; Y283-F365 AromaticContact CE1-CD2 3.89Å; Y283-F365 HydrophobicContact CE1-CD2 3.89Å; Y283-F365 HydrophobicContact CE1-CE1 4.02Å; Y283-F365 HydrophobicContact CE1-CE2 4.14Å; Y283-F365 AromaticContact CE1-CG 3.7Å; Y283-F365 HydrophobicContact CE1-CG 3.7Å; Y283-F365 HydrophobicContact CE1-CZ 4.17Å; Y283-F365 HydrophobicContact CE2-CB 4.21Å; Y283-F365 HydrophobicContact CG-CB 4.2Å; Y283-F365 AromaticContact CG-CD2 3.7Å; Y283-F365 HydrophobicContact CG-CD2 3.7Å; Y283-F365 HydrophobicContact CG-CE2 4.27Å; Y283-F365 HydrophobicContact CG-CG 4.05Å; L361-F365 PolarHBondContact O-N 2.7Å; F365-G367 PolarHBondContact O-N 3.48Å; F365-G367 VanDerWaalsContact O-N 3.1Å; F365-R368 PolarHBondContact O-N 3.35Å
366V84.7Confident82.1Confident9 Ų958.4 Ų58.46%0.05530%0.297CS..THydrogen-bonded Turntrans-56.6-27.7179-72.90000113.4P76 Y240 N279 R368 H369 S370P76-V366 HydrophobicContact CB-CG1 3.69Å; P76-V366 HydrophobicContact CG-CG1 4.06Å; Y240-V366 HydrophobicContact CE2-CG2 4Å; N279-V366 HydrophobicContact CB-CG1 3.68Å; N279-V366 HydrophobicContact CB-CG2 4.26Å; N279-V366 VanDerWaalsContact CG-CG1 3.49Å; N279-V366 WeakPolarHBondContact OD1-CG1 3.49Å; N279-V366 WeakPolarHBondContact OD1-CG2 3.39Å; N279-V366 PolarHBondContact OD1-N 2.93Å; V366-R368 PolarHBondContact O-N 3.49Å; V366-H369 CarbonylContact O-C 3.46Å; V366-H369 PolarHBondContact O-N 2.71Å; V366-S370 WeakPolarHBondContact O-CA 3.37Å; V366-S370 VanDerWaalsContact O-CB 3.31Å; V366-S370 WeakPolarHBondContact O-CB 3.35Å; V366-S370 PolarHBondContact O-N 3.24Å
367G78Confident81.4Confident32 Ų3255.2 Ų55.233%0.3327%0.274SS..THydrogen-bonded Turntrans-63.1-24178.100000113.9L236 F365L236-G367 VanDerWaalsContact CD1-CA 3.47Å; F365-G367 PolarHBondContact O-N 3.48Å; F365-G367 VanDerWaalsContact O-N 3.1Å
368R73.9Confident80.7Confident147 Ų14758.3 Ų58.356%0.55529%0.286SS*.THydrogen-bonded Turntrans-85.9-35.8179.6-165.9174.7-174.1161.43.3112.9Q362 F365 V366Q362-R368 WeakPolarHBondContact O-CD 3.3Å; F365-R368 PolarHBondContact O-N 3.35Å; V366-R368 PolarHBondContact O-N 3.49Å
369H67Low79.9Confident109 Ų10963.7 Ų63.751%0.50532%0.315SS..SBendtrans-100.416.6176.8-58.6-60.2000112.6T363 V366 K371T363-H369 PolarHBondContact O-CD2 2.85Å; T363-H369 PolarHBondContact O-NE2 3.08Å; V366-H369 CarbonylContact O-C 3.46Å; V366-H369 PolarHBondContact O-N 2.71Å; H369-K371 PolarHBondContact O-N 3.2Å
370S62Low79.2Confident40 Ų4059.9 Ų59.928%0.2829%0.294SS..  trans-54.7108.8-166.5-163.30000109.3Y240 V366 W372Y240-S370 PolarHBondContact OH-OG 3.39Å; V366-S370 WeakPolarHBondContact O-CA 3.37Å; V366-S370 VanDerWaalsContact O-CB 3.31Å; V366-S370 WeakPolarHBondContact O-CB 3.35Å; V366-S370 PolarHBondContact O-N 3.24Å; S370-W372 WeakPolarHBondContact CB-O 3.34Å; S370-W372 PolarHBondContact O-N 2.99Å; S370-W372 PolarHBondContact OG-O 2.89Å
371K64.3Low78.5Confident108 Ų10858.2 Ų58.247%0.4728%0.284SS..SBendtrans-54.2-25.3174.9-71.1-172.1-176.9176.40110.7G74 D267 H369G74-K371 WeakPolarHBondContact O-CE 3.39Å; G74-K371 PolarHBondContact O-NZ 3.34Å; D267-K371 IonicContact OD2-NZ 3.29Å; D267-K371 PolarHBondContact OD2-NZ 3.18Å; H369-K371 PolarHBondContact O-N 3.2Å
372W73Confident77.8Confident13 Ų1360.9 Ų60.95%0.04930%0.302CS..SBendtrans-118.9130-177.1-41.5-52.3000110.7Y240 M266 D267 I268 N272 L273 S370 M377Y240-W372 AromaticContact CE1-CE3 3.93Å; Y240-W372 HydrophobicContact CE1-CE3 3.93Å; Y240-W372 HydrophobicContact CE1-CZ3 4.06Å; M266-W372 PolarHBondContact O-NE1 3.46Å; D267-W372 VanDerWaalsContact O-CZ2 3.27Å; D267-W372 WeakPolarHBondContact O-CZ2 3.19Å; I268-W372 HydrophobicContact CB-CZ2 4.28Å; I268-W372 HydrophobicContact CG1-CD2 3.88Å; I268-W372 HydrophobicContact CG1-CG 4.2Å; I268-W372 HydrophobicContact CG1-CH2 4.46Å; I268-W372 HydrophobicContact CG1-CZ2 3.86Å; N272-W372 HydrophobicContact CB-CH2 3.8Å; N272-W372 HydrophobicContact CB-CZ2 4.28Å; L273-W372 HydrophobicContact CD2-CH2 4.28Å; L273-W372 HydrophobicContact CD2-CZ3 3.8Å; S370-W372 WeakPolarHBondContact CB-O 3.34Å; S370-W372 PolarHBondContact O-N 2.99Å; S370-W372 PolarHBondContact OG-O 2.89Å; W372-M377 HydrophobicContact CB-CE 3.8Å; W372-M377 HydrophobicContact CB-CG 4.07Å; W372-M377 HydrophobicContact CE3-CE 4.35Å; W372-M377 VanDerWaalsContact O-CE 3.23Å; W372-M377 WeakPolarHBondContact O-CE 3.4Å
373T74.4Confident77.2Confident75 Ų7563.9 Ų63.946%0.4632%0.32SS..  trans-74.1158.1169.656.70000110.3E375 Q376 M377T373-E375 PolarHBondContact O-N 3.03Å; T373-Q376 WeakPolarHBondContact O-CB 3.18Å; T373-Q376 PolarHBondContact O-N 2.95Å; T373-Q376 VanDerWaalsContact O-N 3.07Å; T373-Q376 WeakPolarHBondContact OG1-CB 3.47Å; T373-Q376 VanDerWaalsContact OG1-CD 3.26Å; T373-Q376 WeakPolarHBondContact OG1-CG 3.48Å; T373-Q376 PolarHBondContact OG1-N 2.92Å; T373-Q376 PolarHBondContact OG1-OE1 3.02Å; T373-M377 PolarHBondContact O-N 3.34Å; T373-M377 VanDerWaalsContact O-N 3.09Å
374K72.6Confident76.6Confident98 Ų9871 Ų7143%0.42635%0.346SS..Hα-helixtrans-52.7-46.2174.4-70.2-169.5176.9-166.30111E235 Q376 M377 Y378E235-K374 IonicContact OE1-NZ 3.75Å; E235-K374 PolarHBondContact OE1-NZ 3.09Å; E235-K374 IonicContact OE2-NZ 3.67Å; E235-K374 PolarHBondContact OE2-NZ 2.88Å; K374-Q376 VanDerWaalsContact C-N 3.3Å; K374-Q376 PolarHBondContact O-N 2.81Å; K374-M377 PolarHBondContact O-N 2.69Å; K374-Y378 HydrophobicContact CB-CD2 4.2Å; K374-Y378 HydrophobicContact CB-CE2 4.28Å; K374-Y378 WeakPolarHBondContact O-CD2 3.49Å; K374-Y378 PolarHBondContact O-N 3.21Å
375E72.6Confident76Confident159 Ų15972.2 Ų72.274%0.74335%0.354SS*.Hα-helixtrans-55.5-43.8177.3-62.2178.4-178.300112.4T373 M377 Y378 N379T373-E375 PolarHBondContact O-N 3.03Å; E375-M377 PolarHBondContact O-N 3.39Å; E375-Y378 PolarHBondContact O-N 2.74Å; E375-N379 VanDerWaalsContact O-CG 3.3Å; E375-N379 PolarHBondContact O-N 3.18Å; E375-N379 VanDerWaalsContact O-N 3.16Å; E375-N379 PolarHBondContact O-ND2 3.25Å
376Q75.8Confident75.5Confident64 Ų6472.5 Ų72.530%0.29936%0.356SS..Hα-helixtrans-63.8-40176.8-74.2168.3-35.100112M266 T373 K374 N379 F380M266-Q376 HydrophobicContact CE-CB 3.88Å; M266-Q376 HydrophobicContact CE-CG 3.7Å; T373-Q376 WeakPolarHBondContact O-CB 3.18Å; T373-Q376 PolarHBondContact O-N 2.95Å; T373-Q376 VanDerWaalsContact O-N 3.07Å; T373-Q376 WeakPolarHBondContact OG1-CB 3.47Å; T373-Q376 VanDerWaalsContact OG1-CD 3.26Å; T373-Q376 WeakPolarHBondContact OG1-CG 3.48Å; T373-Q376 PolarHBondContact OG1-N 2.92Å; T373-Q376 PolarHBondContact OG1-OE1 3.02Å; K374-Q376 VanDerWaalsContact C-N 3.3Å; K374-Q376 PolarHBondContact O-N 2.81Å; Q376-N379 WeakPolarHBondContact O-CB 3.28Å; Q376-F380 WeakPolarHBondContact O-CD2 3.38Å; Q376-F380 WeakPolarHBondContact O-CE2 3.44Å
377M77.9Confident75.4Confident1 Ų175.9 Ų75.91%0.00537%0.373CS..Hα-helixtrans-68.6-42.2176.9-60.6-178.7-152.700111.8I239 Y240 W372 T373 K374 E375 N379 F380 I381I239-M377 HydrophobicContact CG2-CB 4.16Å; I239-M377 HydrophobicContact CG2-SD 3.64Å; Y240-M377 HydrophobicContact CD1-SD 4.11Å; Y240-M377 HydrophobicContact CE1-CE 3.38Å; Y240-M377 HydrophobicContact CE1-SD 3.49Å; Y240-M377 WeakPolarHBondContact CE1-SD 3.39Å; Y240-M377 VanDerWaalsContact OH-CE 3.25Å; Y240-M377 WeakPolarHBondContact OH-CE 3.33Å; W372-M377 HydrophobicContact CB-CE 3.8Å; W372-M377 HydrophobicContact CB-CG 4.07Å; W372-M377 HydrophobicContact CE3-CE 4.35Å; W372-M377 VanDerWaalsContact O-CE 3.23Å; W372-M377 WeakPolarHBondContact O-CE 3.4Å; T373-M377 PolarHBondContact O-N 3.34Å; T373-M377 VanDerWaalsContact O-N 3.09Å; K374-M377 PolarHBondContact O-N 2.69Å; E375-M377 PolarHBondContact O-N 3.39Å; M377-N379 PolarHBondContact O-N 3.01Å; M377-F380 WeakPolarHBondContact O-CA 3.37Å; M377-F380 WeakPolarHBondContact O-CB 3.29Å; M377-F380 PolarHBondContact O-N 2.97Å; M377-I381 PolarHBondContact O-N 3.45Å
378Y79.2Confident75.7Confident69 Ų6977.7 Ų77.727%0.27137%0.372SS..Hα-helixtrans-67.7-14.4179.3-80.4-68.5000114.1I239 K374 E375 F380 I381 D383 V386I239-Y378 HydrophobicContact CD1-CE2 4.39Å; K374-Y378 HydrophobicContact CB-CD2 4.2Å; K374-Y378 HydrophobicContact CB-CE2 4.28Å; K374-Y378 WeakPolarHBondContact O-CD2 3.49Å; K374-Y378 PolarHBondContact O-N 3.21Å; E375-Y378 PolarHBondContact O-N 2.74Å; Y378-F380 PolarHBondContact O-N 3.06Å; Y378-I381 CarbonylContact C-O 3.28Å; Y378-I381 VanDerWaalsContact CA-O 3.29Å; Y378-I381 WeakPolarHBondContact CA-O 3.49Å; Y378-I381 HydrophobicContact CD1-CG2 4.28Å; Y378-I381 WeakPolarHBondContact CD1-O 3.45Å; Y378-D383 WeakPolarHBondContact CE1-OD1 3.46Å; Y378-D383 PolarHBondContact OH-OD1 3.15Å; Y378-D383 VanDerWaalsContact OH-OD1 3.07Å; Y378-V386 HydrophobicContact CE1-CG2 4.29Å
379N78Confident76Confident119 Ų11973.3 Ų73.364%0.63636%0.36SS*.THydrogen-bonded Turntrans-65.7-22.9165.9-68.2-31.3000112.6E375 Q376 M377E375-N379 VanDerWaalsContact O-CG 3.3Å; E375-N379 PolarHBondContact O-N 3.18Å; E375-N379 VanDerWaalsContact O-N 3.16Å; E375-N379 PolarHBondContact O-ND2 3.25Å; Q376-N379 WeakPolarHBondContact O-CB 3.28Å; M377-N379 PolarHBondContact O-N 3.01Å
380F77.8Confident76.3Confident9 Ų976 Ų764%0.03937%0.373CS..THydrogen-bonded Turntrans-104.8-22.7-178.3-57.8-89.8000113.2L243 K246 L259 S262 A263 M266 I268 Q376 M377 Y378L243-F380 HydrophobicContact CD1-CB 3.58Å; K246-F380 WeakPolarHBondContact CD-O 3.46Å; K246-F380 WeakPolarHBondContact CE-O 3.36Å; K246-F380 PolarHBondContact NZ-O 3.4Å; L259-F380 HydrophobicContact CD1-CB 4.33Å; L259-F380 HydrophobicContact CD1-CD1 3.23Å; L259-F380 HydrophobicContact CD1-CE1 3.76Å; L259-F380 HydrophobicContact CD1-CG 4.09Å; L259-F380 HydrophobicContact CD2-CB 4.47Å; L259-F380 HydrophobicContact CD2-CD1 4.38Å; L259-F380 HydrophobicContact CG-CD1 3.6Å; L259-F380 HydrophobicContact CG-CE1 4.31Å; S262-F380 WeakPolarHBondContact OG-CE1 3.38Å; A263-F380 HydrophobicContact CB-CD1 4.04Å; A263-F380 HydrophobicContact CB-CE1 3.73Å; A263-F380 HydrophobicContact CB-CZ 4.37Å; M266-F380 HydrophobicContact SD-CE2 3.83Å; M266-F380 HydrophobicContact SD-CZ 3.7Å; I268-F380 HydrophobicContact CD1-CD2 3.93Å; I268-F380 HydrophobicContact CD1-CE2 3.61Å; I268-F380 HydrophobicContact CD1-CZ 4.13Å; Q376-F380 WeakPolarHBondContact O-CD2 3.38Å; Q376-F380 WeakPolarHBondContact O-CE2 3.44Å; M377-F380 WeakPolarHBondContact O-CA 3.37Å; M377-F380 WeakPolarHBondContact O-CB 3.29Å; M377-F380 PolarHBondContact O-N 2.97Å; Y378-F380 PolarHBondContact O-N 3.06Å
381I79.2Confident76.9Confident3 Ų379.5 Ų79.52%0.01539%0.388CS..SBendtrans-134.2138.5-177.8-166.4166.3000110.9M377 Y378 E385 V386M377-I381 PolarHBondContact O-N 3.45Å; Y378-I381 CarbonylContact C-O 3.28Å; Y378-I381 VanDerWaalsContact CA-O 3.29Å; Y378-I381 WeakPolarHBondContact CA-O 3.49Å; Y378-I381 HydrophobicContact CD1-CG2 4.28Å; Y378-I381 WeakPolarHBondContact CD1-O 3.45Å; I381-E385 HydrophobicContact CD1-CB 4.06Å; I381-E385 HydrophobicContact CG1-CB 3.66Å; I381-V386 HydrophobicContact CD1-CG2 3.87Å; I381-V386 HydrophobicContact CG1-CG2 4.18Å; I381-V386 HydrophobicContact CG2-CG2 4.34Å
382S79.4Confident77.3Confident56 Ų5676.9 Ų76.939%0.39238%0.375SS..  trans-87153.6172.263.60000111.3K384 E385 V386S382-K384 PolarHBondContact O-N 2.8Å; S382-K384 VanDerWaalsContact O-N 3.07Å; S382-E385 PolarHBondContact N-OE2 3.12Å; S382-E385 WeakPolarHBondContact O-CB 3.25Å; S382-E385 PolarHBondContact O-N 2.7Å; S382-E385 VanDerWaalsContact OG-CD 3.26Å; S382-E385 VanDerWaalsContact OG-CG 3.27Å; S382-E385 WeakPolarHBondContact OG-CG 3.4Å; S382-E385 PolarHBondContact OG-OE2 2.71Å; S382-V386 PolarHBondContact O-N 2.86Å
383D78.5Confident77Confident117 Ų11784.6 Ų84.663%0.62641%0.409SS*.G310 helixtrans-52.3-33.9176.9-71.9-48.7000113.2Y378 E385 V386Y378-D383 WeakPolarHBondContact CE1-OD1 3.46Å; Y378-D383 PolarHBondContact OH-OD1 3.15Å; Y378-D383 VanDerWaalsContact OH-OD1 3.07Å; D383-E385 VanDerWaalsContact C-N 3.28Å; D383-E385 PolarHBondContact O-N 3Å; D383-V386 PolarHBondContact O-N 2.62Å
384K77.2Confident76.9Confident204 Ų20486.9 Ų86.989%0.88741%0.414SS*.G310 helixtrans-73.3-17.3179.9-63.7-178179.8179.40114.1S382S382-K384 PolarHBondContact O-N 2.8Å; S382-K384 VanDerWaalsContact O-N 3.07Å
385E78.9Confident76.8Confident78 Ų7885.2 Ų85.236%0.36441%0.408SS..G310 helixtrans-92.8-13.8178.1-69.9168.6136.300112.1S242 K246 I381 S382 D383 I387S242-E385 WeakPolarHBondContact CB-O 3.16Å; S242-E385 PolarHBondContact OG-O 3.45Å; K246-E385 WeakPolarHBondContact CE-OE1 3.37Å; K246-E385 VanDerWaalsContact NZ-CD 3.29Å; K246-E385 IonicContact NZ-OE1 3.42Å; K246-E385 PolarHBondContact NZ-OE1 3.23Å; K246-E385 IonicContact NZ-OE2 3.15Å; K246-E385 PolarHBondContact NZ-OE2 3.14Å; I381-E385 HydrophobicContact CD1-CB 4.06Å; I381-E385 HydrophobicContact CG1-CB 3.66Å; S382-E385 PolarHBondContact N-OE2 3.12Å; S382-E385 WeakPolarHBondContact O-CB 3.25Å; S382-E385 PolarHBondContact O-N 2.7Å; S382-E385 VanDerWaalsContact OG-CD 3.26Å; S382-E385 VanDerWaalsContact OG-CG 3.27Å; S382-E385 WeakPolarHBondContact OG-CG 3.4Å; S382-E385 PolarHBondContact OG-OE2 2.71Å; D383-E385 VanDerWaalsContact C-N 3.28Å; D383-E385 PolarHBondContact O-N 3Å; E385-I387 PolarHBondContact O-N 3.15Å
386V82.2Confident76.9Confident13 Ų1384.7 Ų84.78%0.07941%0.41CS..  trans-75.8118.9173.9-177.60000108A238 I239 Y378 I381 S382 D383 F388A238-V386 HydrophobicContact CB-CG1 3.9Å; I239-V386 HydrophobicContact CG1-CG1 3.93Å; I239-V386 HydrophobicContact CG1-CG2 4.13Å; Y378-V386 HydrophobicContact CE1-CG2 4.29Å; I381-V386 HydrophobicContact CD1-CG2 3.87Å; I381-V386 HydrophobicContact CG1-CG2 4.18Å; I381-V386 HydrophobicContact CG2-CG2 4.34Å; S382-V386 PolarHBondContact O-N 2.86Å; D383-V386 PolarHBondContact O-N 2.62Å; V386-F388 HydrophobicContact CG1-CD2 4.41Å; V386-F388 HydrophobicContact CG1-CE2 4.02Å; V386-F388 HydrophobicContact CG1-CZ 4.43Å
387I82.7Confident76.9Confident80 Ų8085.7 Ų85.741%0.4142%0.422SS..  trans-109.2108.8179.3-57.5173.3000106.9S242 E385 R392S242-I387 PolarHBondContact OG-N 3.17Å; E385-I387 PolarHBondContact O-N 3.15Å; I387-R392 HydrophobicContact CG2-CG 3.74Å
388F82.7Confident76.6Confident70 Ų7086.1 Ų86.131%0.30743%0.425SS..  trans-68152.9170-70.4-94.5000110E235 A238 V386 E390 D391 R392E235-F388 HydrophobicContact CB-CE1 4.03Å; E235-F388 HydrophobicContact CG-CE1 4.18Å; E235-F388 HydrophobicContact CG-CZ 4.2Å; A238-F388 HydrophobicContact CB-CD1 4.1Å; A238-F388 HydrophobicContact CB-CE1 4.4Å; A238-F388 HydrophobicContact CB-CG 4.33Å; V386-F388 HydrophobicContact CG1-CD2 4.41Å; V386-F388 HydrophobicContact CG1-CE2 4.02Å; V386-F388 HydrophobicContact CG1-CZ 4.43Å; F388-E390 PolarHBondContact O-N 3.38Å; F388-D391 HydrophobicContact CB-CB 4.32Å; F388-D391 PolarHBondContact O-N 3.19Å; F388-R392 PolarHBondContact O-N 3Å
389D80.9Confident76.2Confident54 Ų5485.3 Ų85.329%0.28943%0.429SS..SBendtrans-62.3-30-177.7-71.3-16.1000111.9R281 R392 P441R281-D389 IonicContact CZ-OD2 2.75Å; R281-D389 IonicContact NH1-OD2 2.76Å; R281-D389 PolarHBondContact NH1-OD2 3.4Å; R281-D389 IonicContact NH2-OD1 2.69Å; R281-D389 PolarHBondContact NH2-OD1 3.37Å; R281-D389 IonicContact NH2-OD2 2.74Å; R281-D389 PolarHBondContact NH2-OD2 2.97Å; D389-R392 IonicContact OD1-CZ 2.64Å; D389-R392 VanDerWaalsContact OD1-CZ 3.25Å; D389-R392 IonicContact OD1-NE 3.02Å; D389-R392 PolarHBondContact OD1-NE 3.43Å; D389-R392 IonicContact OD1-NH2 3.91Å; D389-R392 PolarHBondContact OD1-NH2 3.04Å; D389-P441 HydrophobicContact CB-CG 3.98Å; D389-P441 VanDerWaalsContact OD1-CG 3.28Å; D389-P441 WeakPolarHBondContact OD1-CG 3.19Å; D389-P441 WeakPolarHBondContact OD2-CG 3.35Å
390E72.8Confident75.7Confident167 Ų16788 Ų8878%0.7844%0.438SS*.THydrogen-bonded Turntrans-72.8-30.7173.7-62.9169.5-174.700113.5F388 R392F388-E390 PolarHBondContact O-N 3.38Å; E390-R392 VanDerWaalsContact C-N 3.32Å
391D74.7Confident75.2Confident112 Ų11295.3 Ų95.360%0.59947%0.472SS*.THydrogen-bonded Turntrans-88.6-0.6-179.1-68.2-40.9000112.7F388 K393F388-D391 HydrophobicContact CB-CB 4.32Å; F388-D391 PolarHBondContact O-N 3.19Å; D391-K393 PolarHBondContact O-N 3.34Å
392R72.9Confident74.6Confident54 Ų5498.2 Ų98.220%0.20448%0.483CS..SBendtrans-62123.3174.8-70.8175.7-174.6-82-6.7107.9I387 F388 D389 E390 H394 V440I387-R392 HydrophobicContact CG2-CG 3.74Å; F388-R392 PolarHBondContact O-N 3Å; D389-R392 IonicContact OD1-CZ 2.64Å; D389-R392 VanDerWaalsContact OD1-CZ 3.25Å; D389-R392 IonicContact OD1-NE 3.02Å; D389-R392 PolarHBondContact OD1-NE 3.43Å; D389-R392 IonicContact OD1-NH2 3.91Å; D389-R392 PolarHBondContact OD1-NH2 3.04Å; E390-R392 VanDerWaalsContact C-N 3.32Å; R392-H394 PolarHBondContact O-N 3.27Å; R392-V440 VanDerWaalsContact NH1-CG1 3.26Å
393K67.4Low73.9Confident174 Ų17495.9 Ų95.976%0.75747%0.467SS*.PPolyproline II helixtrans-53.1117.8176.1-67.1-179.4-179.6178.70109.1D391 H395D391-K393 PolarHBondContact O-N 3.34Å; K393-H395 PolarHBondContact O-CE1 3.2Å; K393-H395 VanDerWaalsContact O-CE1 3.29Å; K393-H395 PolarHBondContact O-N 3.43Å; K393-H395 PolarHBondContact O-ND1 3.18Å
394H71.2Confident73.2Confident124 Ų12492.6 Ų92.657%0.57446%0.461SS*.PPolyproline II helixtrans-64.2124.2164.7-69.2-63.6000108.1R392 D443 H445R392-H394 PolarHBondContact O-N 3.27Å; H394-D443 VanDerWaalsContact CA-OD2 3.27Å; H394-D443 WeakPolarHBondContact CA-OD2 3.42Å; H394-D443 IonicContact CE1-OD1 2.66Å; H394-D443 IonicContact ND1-OD1 2.6Å; H394-D443 PolarHBondContact ND1-OD1 3.23Å; H394-D443 VanDerWaalsContact ND1-OD1 3.08Å; H394-D443 IonicContact ND1-OD2 2.95Å; H394-H445 AromaticContact CE1-CD2 3.35Å; H394-H445 PolarHBondContact CE1-CD2 3.37Å; H394-H445 AromaticContact CE1-NE2 3.67Å; H394-H445 AromaticContact ND1-CD2 3.33Å; H394-H445 PolarHBondContact ND1-CD2 3.21Å; H394-H445 VanDerWaalsContact ND1-CD2 3.33Å; H394-H445 AromaticContact ND1-CG 3.82Å
395H70.7Confident72.6Confident63 Ų6386.7 Ų86.729%0.29246%0.457SS..PPolyproline II helixtrans-89.4157.8177.7-57.676.3000109.9K393 D443 M446 S461 P463K393-H395 PolarHBondContact O-CE1 3.2Å; K393-H395 VanDerWaalsContact O-CE1 3.29Å; K393-H395 PolarHBondContact O-N 3.43Å; K393-H395 PolarHBondContact O-ND1 3.18Å; H395-D443 PolarHBondContact N-OD2 3.36Å; H395-D443 IonicContact ND1-OD2 3.81Å; H395-M446 HydrophobicContact CB-CE 4.36Å; H395-M446 HydrophobicContact CB-CG 3.64Å; H395-M446 HydrophobicContact CB-SD 3.72Å; H395-S461 PolarHBondContact CE1-O 3.11Å; H395-P463 VanDerWaalsContact CD2-CD 3.47Å; H395-P463 WeakPolarHBondContact CD2-CD 3.03Å
396D75.3Confident72.3Confident147 Ų14785 Ų8579%0.78645%0.451SS*.PPolyproline II helixtrans-57.9151.2172.3-67-43000110.7L398D396-L398 PolarHBondContact O-N 3.48Å
397P75.3Confident72Confident86 Ų8690.5 Ų90.556%0.55848%0.476SS*.PPolyproline II helixtrans-48135.1174.2-28.935.7000112S399 F410P397-S399 PolarHBondContact O-N 3.4Å; P397-F410 HydrophobicContact CB-CD1 3.97Å; P397-F410 HydrophobicContact CB-CE1 3.53Å; P397-F410 HydrophobicContact CB-CZ 4.23Å
398L72.1Confident71.5Confident10 Ų1088 Ų885%0.05247%0.465CS..PPolyproline II helixtrans-52.7123176.9-72.2166.5000110.4D396 Y402 M446 P463 A466D396-L398 PolarHBondContact O-N 3.48Å; L398-Y402 HydrophobicContact CD2-CG 4.08Å; L398-M446 WeakPolarHBondContact CB-O 3.47Å; L398-M446 HydrophobicContact CD2-CE 3.65Å; L398-M446 HydrophobicContact CG-CB 4.28Å; L398-M446 HydrophobicContact CG-CE 4.12Å; L398-M446 VanDerWaalsContact CG-O 3.28Å; L398-M446 WeakPolarHBondContact CG-O 3.17Å; L398-M446 PolarHBondContact N-O 3Å; L398-P463 HydrophobicContact CD2-CB 4.37Å; L398-A466 HydrophobicContact CD1-CB 4.4Å; L398-A466 HydrophobicContact CD2-CB 3.83Å
399S71.2Confident71.1Confident52 Ų5286.6 Ų86.636%0.36446%0.46SS..PPolyproline II helixtrans-68.8157.9169.472.30000110.7P397 E401 Y402 C403P397-S399 PolarHBondContact O-N 3.4Å; S399-E401 PolarHBondContact O-N 2.95Å; S399-Y402 PolarHBondContact O-N 3.5Å; S399-Y402 WeakPolarHBondContact OG-CD2 3.48Å; S399-Y402 VanDerWaalsContact OG-CE2 3.26Å; S399-Y402 WeakPolarHBondContact OG-CE2 3.45Å; S399-C403 PolarHBondContact O-N 3Å
400E67.5Low70.8Confident176 Ų17686.9 Ų86.982%0.82246%0.459SS*.Hα-helixtrans-52.8-29.3179.3-72.1-179.817300113.2Y402 C403 G404E400-Y402 VanDerWaalsContact C-N 3.27Å; E400-Y402 PolarHBondContact O-N 3.09Å; E400-C403 PolarHBondContact O-N 3.48Å; E400-C403 VanDerWaalsContact O-N 3.1Å; E400-G404 PolarHBondContact O-N 3.32Å
401E65.8Low70.4Confident162 Ų16280.6 Ų80.676%0.75743%0.433SS*.Hα-helixtrans-59.9-35.1175.6-61.9-175.9175.800112.9S399S399-E401 PolarHBondContact O-N 2.95Å
402Y67Low69.5Low63 Ų6383.2 Ų83.225%0.24744%0.441CS..Hα-helixtrans-84-15.8177.7-60.7-83.6000112.8L398 S399 E400 P463 K467 V470L398-Y402 HydrophobicContact CD2-CG 4.08Å; S399-Y402 PolarHBondContact O-N 3.5Å; S399-Y402 WeakPolarHBondContact OG-CD2 3.48Å; S399-Y402 VanDerWaalsContact OG-CE2 3.26Å; S399-Y402 WeakPolarHBondContact OG-CE2 3.45Å; E400-Y402 VanDerWaalsContact C-N 3.27Å; E400-Y402 PolarHBondContact O-N 3.09Å; Y402-P463 HydrophobicContact CD1-CB 4.33Å; Y402-P463 WeakPolarHBondContact CD1-O 3.21Å; Y402-P463 HydrophobicContact CE1-CB 4.09Å; Y402-K467 HydrophobicContact CD1-CB 3.81Å; Y402-K467 HydrophobicContact CD1-CD 4.37Å; Y402-K467 HydrophobicContact CD1-CG 4.27Å; Y402-K467 HydrophobicContact CE1-CB 4.12Å; Y402-K467 HydrophobicContact CE1-CD 4.05Å; Y402-K467 HydrophobicContact CE1-CG 4.44Å; Y402-V470 WeakPolarHBondContact O-CG2 3.47Å
403C65.2Low68.6Low8 Ų885 Ų855%0.05446%0.462CS..Hα-helixtrans-81.9-20.7177.2-560000112.3S399 E400 G405 N406 C408 L449S399-C403 PolarHBondContact O-N 3Å; E400-C403 PolarHBondContact O-N 3.48Å; E400-C403 VanDerWaalsContact O-N 3.1Å; C403-G405 PolarHBondContact O-N 3.06Å; C403-N406 WeakPolarHBondContact O-CB 3.13Å; C403-N406 PolarHBondContact O-N 3.02Å; C403-N406 PolarHBondContact O-ND2 3.32Å; C403-C408 HydrophobicContact CB-CB 4.26Å; C403-C408 WeakPolarHBondContact CB-SG 3.48Å; C403-C408 WeakPolarHBondContact SG-CB 3.44Å; C403-C408 CovalentContact SG-SG 2.04Å; C403-C408 PolarHBondContact SG-SG 3.3Å; C403-L449 HydrophobicContact CB-CD2 4.21Å
404G63.7Low67.7Low48 Ų4878.8 Ų78.850%0.49544%0.44SS..THydrogen-bonded Turntrans59.328.2177.600000114.8E400 N406E400-G404 PolarHBondContact O-N 3.32Å; G404-N406 VanDerWaalsContact C-N 3.33Å
405G65.6Low66.6Low79 Ų7978.6 Ų78.681%0.81445%0.453SS*.THydrogen-bonded Turntrans83.10.2-174.100000115.2C403C403-G405 PolarHBondContact O-N 3.06Å
406N71.9Confident65.4Low44 Ų4480.9 Ų80.924%0.23547%0.467CS..SBendtrans-82.7158.5171.1-61-55.8000111.5C403 G404 C408 L451C403-N406 WeakPolarHBondContact O-CB 3.13Å; C403-N406 PolarHBondContact O-N 3.02Å; C403-N406 PolarHBondContact O-ND2 3.32Å; G404-N406 VanDerWaalsContact C-N 3.33Å; N406-C408 PolarHBondContact O-N 3.07Å; N406-L451 HydrophobicContact CB-CD2 4.18Å; N406-L451 VanDerWaalsContact CG-CD2 3.43Å; N406-L451 VanDerWaalsContact ND2-CD2 3.32Å; N406-L451 WeakPolarHBondContact ND2-CD2 3.34Å
407Q74.5Confident63.8Low128 Ų12883.4 Ų83.460%0.59847%0.474SS*.EExtended strand (participates in β ladder)trans-74.3115.8178.5-174.3175.7400110.3I409 L450Q407-I409 HydrophobicContact CG-CG1 4.47Å; Q407-L450 HydrophobicContact CB-CB 4.26Å; Q407-L450 HydrophobicContact CB-CD2 4.48Å; Q407-L450 WeakPolarHBondContact O-CB 3.42Å; Q407-L450 PolarHBondContact O-N 3.29Å
408C74.2Confident62.4Low26 Ų2682.6 Ų82.618%0.17647%0.468CS..EExtended strand (participates in β ladder)trans-89.6122.1171.5-84.50000109.8C403 N406 F410 L449C403-C408 HydrophobicContact CB-CB 4.26Å; C403-C408 WeakPolarHBondContact CB-SG 3.48Å; C403-C408 WeakPolarHBondContact SG-CB 3.44Å; C403-C408 CovalentContact SG-SG 2.04Å; C403-C408 PolarHBondContact SG-SG 3.3Å; N406-C408 PolarHBondContact O-N 3.07Å; C408-F410 HydrophobicContact CB-CE2 4.02Å; C408-F410 HydrophobicContact CB-CZ 4.03Å; C408-L449 WeakPolarHBondContact SG-CD2 3.41Å
409I73.9Confident61.5Low41 Ų4189.1 Ų89.121%0.2150%0.503CS..EExtended strand (participates in β ladder)trans-104.4126.5177.3-56.7173.6000108.4Q407 L420 G447 V448 L450 M457Q407-I409 HydrophobicContact CG-CG1 4.47Å; I409-L420 HydrophobicContact CG2-CD2 4.02Å; I409-G447 CarbonylContact O-C 3.5Å; I409-G447 VanDerWaalsContact O-CA 3.24Å; I409-G447 WeakPolarHBondContact O-CA 3.31Å; I409-V448 PolarHBondContact N-O 3.22Å; I409-V448 PolarHBondContact O-N 2.98Å; I409-L450 HydrophobicContact CD1-CB 4.22Å; I409-L450 HydrophobicContact CD1-CD1 4.39Å; I409-L450 HydrophobicContact CD1-CD2 4.39Å; I409-M457 HydrophobicContact CD1-SD 4.36Å
410F74.2Confident61.1Low61 Ų6188.9 Ų88.927%0.26850%0.497SS..  trans-107.2140.4178.7-59.5-82.4000110.5P397 C408 H412 S413 M446P397-F410 HydrophobicContact CB-CD1 3.97Å; P397-F410 HydrophobicContact CB-CE1 3.53Å; P397-F410 HydrophobicContact CB-CZ 4.23Å; C408-F410 HydrophobicContact CB-CE2 4.02Å; C408-F410 HydrophobicContact CB-CZ 4.03Å; F410-H412 PolarHBondContact O-N 2.67Å; F410-S413 PolarHBondContact O-N 2.89Å; F410-S413 VanDerWaalsContact O-N 3.07Å; F410-S413 PolarHBondContact O-OG 3.21Å; F410-M446 WeakPolarHBondContact CE1-O 3.4Å
411P63.7Low61.2Low34 Ų3486.3 Ų86.322%0.22149%0.489CS..G310 helixtrans-56.8-28.8-176.8-23.931.5000114.3S413 S414 T444P411-S413 VanDerWaalsContact C-N 3.35Å; P411-S414 PolarHBondContact O-OG 2.7Å; P411-T444 VanDerWaalsContact CD-O 3.28Å; P411-T444 WeakPolarHBondContact CD-O 3.48Å; P411-T444 WeakPolarHBondContact CG-O 3.38Å
412H56.8Low61.7Low168 Ų16879.2 Ų79.278%0.77846%0.457SS*.G310 helixtrans-82.1-7-177.5-64.92.5000114.2F410F410-H412 PolarHBondContact O-N 2.67Å
413S53.3Low62.2Low92 Ų9278 Ų7864%0.64345%0.453SS*.G310 helixtrans-85.8-17.5178.365.90000113.4F410 P411F410-S413 PolarHBondContact O-N 2.89Å; F410-S413 VanDerWaalsContact O-N 3.07Å; F410-S413 PolarHBondContact O-OG 3.21Å; P411-S413 VanDerWaalsContact C-N 3.35Å
414S49.3Very low63Low42 Ų4277.7 Ų77.729%0.29445%0.451SS..SBendtrans-97.7117.8173.151.70000110.2P411 D416 T418P411-S414 PolarHBondContact O-OG 2.7Å; S414-D416 PolarHBondContact O-N 3.38Å; S414-T418 PolarHBondContact OG-OG1 3.3Å
415S47Very low64Low120 Ų12078.8 Ų78.884%0.83944%0.444SS*.SBendtrans-64.34.1-177.750.60000116.3
416D45.6Very low64.9Low111 Ų11176 Ų7659%0.59442%0.416SS*.SBendtrans-136.3143.3175.4-67.9-54.4000107.7S414 T418S414-D416 PolarHBondContact O-N 3.38Å; D416-T418 HydrophobicContact CB-CG2 4.36Å; D416-T418 PolarHBondContact O-N 3.02Å; D416-T418 PolarHBondContact O-OG1 3.31Å; D416-T418 VanDerWaalsContact O-OG1 3.09Å
417E41.7Very low65.8Low200 Ų20075 Ų7594%0.93541%0.409SS*.  trans-59.555.7170.7-64.1179.7161.400111.3N419E417-N419 PolarHBondContact O-N 3.4Å
418T46.1Very low66.6Low69 Ų6969 Ų6942%0.42338%0.381SS..  trans-66.8105.6174.837.80000105.2S414 D416 L420S414-T418 PolarHBondContact OG-OG1 3.3Å; D416-T418 HydrophobicContact CB-CG2 4.36Å; D416-T418 PolarHBondContact O-N 3.02Å; D416-T418 PolarHBondContact O-OG1 3.31Å; D416-T418 VanDerWaalsContact O-OG1 3.09Å; T418-L420 VanDerWaalsContact C-N 3.28Å; T418-L420 WeakPolarHBondContact O-CD1 3.34Å; T418-L420 PolarHBondContact O-N 3.31Å
419N53.7Low67.4Low147 Ų14767.8 Ų67.879%0.78637%0.373SS*.  trans-42.197.8166.2-74.1-38.4000108.3E417 N421E417-N419 PolarHBondContact O-N 3.4Å; N419-N421 VanDerWaalsContact C-N 3.31Å; N419-N421 PolarHBondContact O-N 3.13Å; N419-N421 PolarHBondContact O-OD1 2.95Å
420L62.4Low68.2Low48 Ų4867.3 Ų67.325%0.25137%0.368SS..  trans-66.4101.5175-80.1102.9000104.8I409 T418 T422 V448 M457I409-L420 HydrophobicContact CG2-CD2 4.02Å; T418-L420 VanDerWaalsContact C-N 3.28Å; T418-L420 WeakPolarHBondContact O-CD1 3.34Å; T418-L420 PolarHBondContact O-N 3.31Å; L420-T422 HydrophobicContact CB-CG2 4.35Å; L420-T422 PolarHBondContact O-N 3.03Å; L420-V448 HydrophobicContact CD2-CB 4.47Å; L420-V448 HydrophobicContact CD2-CG2 4.18Å; L420-M457 HydrophobicContact CD2-SD 4Å
421N70.2Confident69Low121 Ų12164.5 Ų64.565%0.64736%0.356SS*.  trans-6775175.1-74.30.4000108.9N419 M457N419-N421 VanDerWaalsContact C-N 3.31Å; N419-N421 PolarHBondContact O-N 3.13Å; N419-N421 PolarHBondContact O-OD1 2.95Å; N421-M457 HydrophobicContact CB-CE 4.48Å; N421-M457 WeakPolarHBondContact O-CE 3.49Å
422T75.4Confident70.4Confident14 Ų1463 Ų639%0.08635%0.346CS..  trans-67.3134.7176.351.20000109L420 E425 G426 V448 A459L420-T422 HydrophobicContact CB-CG2 4.35Å; L420-T422 PolarHBondContact O-N 3.03Å; T422-E425 PolarHBondContact O-N 3.43Å; T422-E425 VanDerWaalsContact O-N 3.12Å; T422-G426 WeakPolarHBondContact OG1-CA 3.47Å; T422-G426 PolarHBondContact OG1-N 3.27Å; T422-V448 HydrophobicContact CG2-CG1 4.03Å; T422-V448 HydrophobicContact CG2-CG2 4.01Å; T422-A459 HydrophobicContact CG2-CB 4.22Å
423E78.8Confident72.1Confident36 Ų3655.5 Ų55.517%0.16831%0.313CS..THydrogen-bonded Turntrans-58.3145.5169.2-166.878.6-170.400108.3E425 M457 Y458 L496 Y498E423-E425 PolarHBondContact O-N 3.46Å; E423-M457 VanDerWaalsContact CB-O 3.29Å; E423-M457 WeakPolarHBondContact CB-O 3.31Å; E423-M457 PolarHBondContact N-O 2.92Å; E423-Y458 HydrophobicContact CB-CD1 3.76Å; E423-Y458 HydrophobicContact CB-CE1 3.77Å; E423-Y458 HydrophobicContact CG-CD1 4.23Å; E423-Y458 HydrophobicContact CG-CE1 3.75Å; E423-L496 HydrophobicContact CG-CD2 4.3Å; E423-L496 WeakPolarHBondContact OE1-CD2 3.27Å; E423-Y498 WeakPolarHBondContact OE1-CE1 3.26Å; E423-Y498 PolarHBondContact OE1-OH 2.86Å
424C80.9Confident73.8Confident3 Ų357.6 Ų57.62%0.0231%0.306CS..THydrogen-bonded Turntrans64.322.9-172.6-54.60000113.9G426 F427 I429 L494C424-G426 VanDerWaalsContact C-N 3.3Å; C424-G426 PolarHBondContact O-N 3.42Å; C424-F427 WeakPolarHBondContact O-CB 3.32Å; C424-F427 WeakPolarHBondContact O-CD2 3.43Å; C424-F427 PolarHBondContact O-N 2.9Å; C424-I429 HydrophobicContact CB-CG1 4.3Å; C424-L494 HydrophobicContact CB-CD2 4.02Å
425E84.4Confident75.8Confident70 Ų7058.5 Ų58.533%0.32730%0.304SS..THydrogen-bonded Turntrans53.941.1166.6-63.9-89.912700113.9K285 T422 E423 K495K285-E425 IonicContact NZ-OE2 3.08Å; K285-E425 PolarHBondContact NZ-OE2 2.94Å; T422-E425 PolarHBondContact O-N 3.43Å; T422-E425 VanDerWaalsContact O-N 3.12Å; E423-E425 PolarHBondContact O-N 3.46Å; E425-K495 VanDerWaalsContact CD-CE 3.44Å; E425-K495 HydrophobicContact CG-CB 4.29Å; E425-K495 HydrophobicContact CG-CD 4.31Å; E425-K495 HydrophobicContact CG-CG 3.99Å; E425-K495 WeakPolarHBondContact OE1-CD 3.38Å; E425-K495 VanDerWaalsContact OE1-CE 3.3Å; E425-K495 WeakPolarHBondContact OE1-CE 3.37Å; E425-K495 IonicContact OE1-NZ 3.48Å; E425-K495 PolarHBondContact OE1-NZ 3.34Å; E425-K495 WeakPolarHBondContact OE2-CE 3.34Å; E425-K495 IonicContact OE2-NZ 2.73Å; E425-K495 PolarHBondContact OE2-NZ 2.94Å
426G85.4Confident77.8Confident22 Ų2256.5 Ų56.523%0.22728%0.281CS..THydrogen-bonded Turntrans84.67.7178.400000115.5T422 C424 A442T422-G426 WeakPolarHBondContact OG1-CA 3.47Å; T422-G426 PolarHBondContact OG1-N 3.27Å; C424-G426 VanDerWaalsContact C-N 3.3Å; C424-G426 PolarHBondContact O-N 3.42Å; G426-A442 WeakPolarHBondContact O-CB 3.35Å; G426-A442 PolarHBondContact O-N 3.44Å
427F91.3Very high80Confident23 Ų2351.2 Ų51.210%0.10125%0.253CS..BIsolated β-bridgetrans-89.9147.6174.5-64.8-65.8000113.1C424 I429 L439 V440 I493 L494C424-F427 WeakPolarHBondContact O-CB 3.32Å; C424-F427 WeakPolarHBondContact O-CD2 3.43Å; C424-F427 PolarHBondContact O-N 2.9Å; F427-I429 PolarHBondContact O-N 2.63Å; F427-L439 HydrophobicContact CB-CD2 4.37Å; F427-L439 HydrophobicContact CD1-CB 3.98Å; F427-L439 HydrophobicContact CD1-CD2 4.49Å; F427-L439 HydrophobicContact CD2-CD2 4.21Å; F427-L439 HydrophobicContact CE1-CB 4.08Å; F427-L439 HydrophobicContact CE2-CD1 4.38Å; F427-L439 HydrophobicContact CG-CB 4.43Å; F427-L439 HydrophobicContact CG-CD2 4.1Å; F427-L439 HydrophobicContact CZ-CD1 4.4Å; F427-V440 CarbonylContact C-O 3.5Å; F427-V440 WeakPolarHBondContact CA-O 3.21Å; F427-I493 HydrophobicContact CE2-CD1 4.39Å; F427-I493 HydrophobicContact CE2-CG1 4.34Å; F427-L494 HydrophobicContact CB-CD2 4.42Å; F427-L494 HydrophobicContact CD2-CD2 3.53Å; F427-L494 HydrophobicContact CE2-CD2 4.25Å; F427-L494 HydrophobicContact CG-CD2 4.33Å
428C91Very high82.4Confident1 Ų141.7 Ų41.71%0.00721%0.208CC..  trans-70.4119.5176.1176.40000111.7S431 L432 V440 A442 A459 S461C428-S431 WeakPolarHBondContact O-CB 3.28Å; C428-S431 PolarHBondContact O-N 2.92Å; C428-S431 PolarHBondContact SG-N 3.25Å; C428-L432 PolarHBondContact O-N 3.48Å; C428-V440 PolarHBondContact N-O 3.34Å; C428-A442 HydrophobicContact CB-CB 4.45Å; C428-A459 WeakPolarHBondContact CA-O 3.38Å; C428-S461 PolarHBondContact SG-N 3.08Å; C428-S461 VanDerWaalsContact SG-N 3.35Å; C428-S461 PolarHBondContact SG-OG 3.37Å
429I90.2Very high84.7Confident0 Ų038.4 Ų38.40%019%0.188CC..Hα-helixtrans-74.6-36.5-174.9-65166.9000112.3C424 F427 S431 L432 V433 Y458 F469 I480C424-I429 HydrophobicContact CB-CG1 4.3Å; F427-I429 PolarHBondContact O-N 2.63Å; I429-S431 VanDerWaalsContact C-N 3.28Å; I429-S431 PolarHBondContact O-N 2.81Å; I429-L432 WeakPolarHBondContact O-CB 3.2Å; I429-L432 PolarHBondContact O-N 3.19Å; I429-V433 PolarHBondContact O-N 3.2Å; I429-Y458 HydrophobicContact CD1-CD1 2.96Å; I429-Y458 HydrophobicContact CD1-CE1 3.72Å; I429-Y458 HydrophobicContact CD1-CG 3.65Å; I429-Y458 HydrophobicContact CG1-CD1 4.43Å; I429-F469 HydrophobicContact CG2-CE2 4.08Å; I429-I480 HydrophobicContact CG2-CD1 3.63Å; I429-I480 HydrophobicContact CG2-CG1 4.19Å
430W91.5Very high86.4Confident31 Ų3131.6 Ų31.612%0.11715%0.152CC..Hα-helixtrans-58.2-45.5173.117694.4000110.6L432 V433 R434 Y435 F460 A465 E468 F476W430-L432 PolarHBondContact O-N 2.77Å; W430-V433 PolarHBondContact O-N 3.36Å; W430-R434 HydrophobicContact CD2-CB 4.19Å; W430-R434 HydrophobicContact CE3-CB 4.46Å; W430-R434 HydrophobicContact CH2-CB 4.39Å; W430-R434 HydrophobicContact CH2-CG 3.97Å; W430-R434 HydrophobicContact CZ2-CB 4.13Å; W430-R434 HydrophobicContact CZ2-CG 3.7Å; W430-R434 WeakPolarHBondContact O-CB 3.49Å; W430-R434 PolarHBondContact O-N 3.14Å; W430-Y435 HydrophobicContact CH2-CE2 4.06Å; W430-Y435 HydrophobicContact CZ3-CD2 4.41Å; W430-Y435 AromaticContact CZ3-CE2 3.6Å; W430-Y435 HydrophobicContact CZ3-CE2 3.6Å; W430-F460 HydrophobicContact CB-CD1 4.21Å; W430-A465 HydrophobicContact CB-CB 3.8Å; W430-A465 HydrophobicContact CD2-CB 3.6Å; W430-A465 HydrophobicContact CE3-CB 3.72Å; W430-A465 HydrophobicContact CG-CB 3.63Å; W430-E468 WeakPolarHBondContact CZ2-OE2 3.39Å; W430-E468 VanDerWaalsContact NE1-CD 3.26Å; W430-E468 PolarHBondContact NE1-OE2 3Å; W430-F476 AromaticContact CD1-CE1 3.67Å; W430-F476 AromaticContact CD1-CZ 3.58Å; W430-F476 HydrophobicContact CG-CE1 4.32Å; W430-F476 AromaticContact NE1-CZ 3.96Å
431S91.2Very high87.7Confident2 Ų230.6 Ų30.61%0.01415%0.148CC..Hα-helixtrans-62.3-44176.8-173.90000111.5C428 I429 V433 Y435 L438 V440C428-S431 WeakPolarHBondContact O-CB 3.28Å; C428-S431 PolarHBondContact O-N 2.92Å; C428-S431 PolarHBondContact SG-N 3.25Å; I429-S431 VanDerWaalsContact C-N 3.28Å; I429-S431 PolarHBondContact O-N 2.81Å; S431-V433 VanDerWaalsContact C-N 3.31Å; S431-V433 PolarHBondContact O-N 2.81Å; S431-Y435 WeakPolarHBondContact O-CB 3.48Å; S431-Y435 PolarHBondContact O-N 3.33Å; S431-Y435 WeakPolarHBondContact OG-CD2 3.26Å; S431-L438 PolarHBondContact OG-O 3.48Å; S431-V440 WeakPolarHBondContact OG-CG2 3.28Å
432L92.5Very high88.5Confident2 Ų225.5 Ų25.51%0.0112%0.123CC..Hα-helixtrans-55-44.7176.2-177.471.5000112C428 I429 W430 Q436 G437 L439 L490 L494C428-L432 PolarHBondContact O-N 3.48Å; I429-L432 WeakPolarHBondContact O-CB 3.2Å; I429-L432 PolarHBondContact O-N 3.19Å; W430-L432 PolarHBondContact O-N 2.77Å; L432-Q436 CarbonylContact O-C 3.6Å; L432-Q436 PolarHBondContact O-N 2.79Å; L432-G437 PolarHBondContact O-N 3.34Å; L432-L439 HydrophobicContact CD1-CD2 3.89Å; L432-L490 HydrophobicContact CD1-CD1 3.99Å; L432-L494 HydrophobicContact CD1-CD1 4.03Å; L432-L494 HydrophobicContact CD2-CD1 3.81Å
433V91.5Very high89Confident12 Ų1225.6 Ų25.67%0.07312%0.123CC..Hα-helixtrans-82.1-49.6-178.3175.10000112.1I429 W430 S431 Y435 Q436 F476 A479 I480I429-V433 PolarHBondContact O-N 3.2Å; W430-V433 PolarHBondContact O-N 3.36Å; S431-V433 VanDerWaalsContact C-N 3.31Å; S431-V433 PolarHBondContact O-N 2.81Å; V433-Y435 PolarHBondContact O-N 3.49Å; V433-Q436 PolarHBondContact O-N 2.95Å; V433-Q436 VanDerWaalsContact O-N 3.14Å; V433-Q436 PolarHBondContact O-NE2 3.48Å; V433-F476 HydrophobicContact CB-CD1 3.67Å; V433-F476 HydrophobicContact CB-CE1 4.09Å; V433-F476 HydrophobicContact CG1-CD1 3.62Å; V433-F476 HydrophobicContact CG1-CE1 4Å; V433-F476 HydrophobicContact CG2-CD1 4.08Å; V433-A479 HydrophobicContact CG1-CB 3.6Å; V433-A479 HydrophobicContact CG2-CB 4.43Å; V433-I480 HydrophobicContact CG2-CG1 3.69Å
434R89.8Confident89.1Confident135 Ų13526.4 Ų26.451%0.50913%0.13SC..Hα-helixtrans-62.9-45.7-174.9-175.670-178.3-179.82.4111.6W430 Q436 E468W430-R434 HydrophobicContact CD2-CB 4.19Å; W430-R434 HydrophobicContact CE3-CB 4.46Å; W430-R434 HydrophobicContact CH2-CB 4.39Å; W430-R434 HydrophobicContact CH2-CG 3.97Å; W430-R434 HydrophobicContact CZ2-CB 4.13Å; W430-R434 HydrophobicContact CZ2-CG 3.7Å; W430-R434 WeakPolarHBondContact O-CB 3.49Å; W430-R434 PolarHBondContact O-N 3.14Å; R434-Q436 VanDerWaalsContact C-N 3.29Å; R434-E468 IonicContact NH1-OE1 3.78Å
435Y90.6Very high89Confident62 Ų6230.4 Ų30.424%0.24315%0.149CC..THydrogen-bonded Turntrans-94.315.4177.4-58-58.7000112.9F244 L245 R274 W430 S431 V433 G437 L438F244-Y435 AromaticContact CE1-CD1 3.77Å; F244-Y435 HydrophobicContact CE1-CD1 3.77Å; F244-Y435 AromaticContact CE1-CG 3.81Å; F244-Y435 HydrophobicContact CE1-CG 3.81Å; F244-Y435 HydrophobicContact CZ-CD1 4.46Å; F244-Y435 HydrophobicContact CZ-CG 4.5Å; L245-Y435 HydrophobicContact CD2-CD2 4.25Å; L245-Y435 HydrophobicContact CD2-CE1 4.24Å; L245-Y435 HydrophobicContact CD2-CE2 3.61Å; R274-Y435 PolarHBondContact NE-O 3.37Å; W430-Y435 HydrophobicContact CH2-CE2 4.06Å; W430-Y435 HydrophobicContact CZ3-CD2 4.41Å; W430-Y435 AromaticContact CZ3-CE2 3.6Å; W430-Y435 HydrophobicContact CZ3-CE2 3.6Å; S431-Y435 WeakPolarHBondContact O-CB 3.48Å; S431-Y435 PolarHBondContact O-N 3.33Å; S431-Y435 WeakPolarHBondContact OG-CD2 3.26Å; V433-Y435 PolarHBondContact O-N 3.49Å; Y435-G437 VanDerWaalsContact C-N 3.27Å; Y435-G437 PolarHBondContact O-N 2.98Å; Y435-L438 HydrophobicContact CD2-CB 4.41Å; Y435-L438 HydrophobicContact CD2-CD2 3.82Å; Y435-L438 HydrophobicContact CE2-CD2 4.47Å; Y435-L438 HydrophobicContact CG-CB 4.37Å; Y435-L438 HydrophobicContact CG-CD2 4.14Å
436Q90.5Very high88.7Confident77 Ų7727.1 Ų27.136%0.3613%0.133SC..THydrogen-bonded Turntrans59.833.1167-61.9-75-64.100113.6R274 L432 V433 R434 L487R274-Q436 WeakPolarHBondContact CD-O 3.45Å; R274-Q436 VanDerWaalsContact NH1-CB 3.33Å; R274-Q436 PolarHBondContact NH1-O 2.86Å; L432-Q436 CarbonylContact O-C 3.6Å; L432-Q436 PolarHBondContact O-N 2.79Å; V433-Q436 PolarHBondContact O-N 2.95Å; V433-Q436 VanDerWaalsContact O-N 3.14Å; V433-Q436 PolarHBondContact O-NE2 3.48Å; R434-Q436 VanDerWaalsContact C-N 3.29Å; Q436-L487 WeakPolarHBondContact O-CD1 3.36Å
437G90.3Very high88.4Confident0 Ų026 Ų260%012%0.122CC..SBendtrans1267176.300000115.3L432 Y435 L439L432-G437 PolarHBondContact O-N 3.34Å; Y435-G437 VanDerWaalsContact C-N 3.27Å; Y435-G437 PolarHBondContact O-N 2.98Å; G437-L439 PolarHBondContact O-N 3.04Å
438L93.3Very high88.1Confident0 Ų025 Ų250%012%0.118CC..  trans-71.7123177-172.872.7000110.4T241 F244 L245 V277 S431 Y435 V440T241-L438 HydrophobicContact CG2-CD2 4.49Å; F244-L438 HydrophobicContact CB-CD1 4.22Å; F244-L438 HydrophobicContact CD1-CD1 3.83Å; F244-L438 HydrophobicContact CD1-CD2 3.51Å; F244-L438 HydrophobicContact CD1-CG 4.18Å; F244-L438 HydrophobicContact CD2-CD1 4.3Å; F244-L438 HydrophobicContact CE1-CB 4.33Å; F244-L438 HydrophobicContact CE1-CD1 4.3Å; F244-L438 HydrophobicContact CE1-CD2 3.77Å; F244-L438 HydrophobicContact CE1-CG 4.36Å; F244-L438 HydrophobicContact CG-CD1 3.85Å; F244-L438 HydrophobicContact CG-CD2 4.35Å; L245-L438 HydrophobicContact CD2-CD2 3.91Å; L245-L438 HydrophobicContact CG-CD2 4.3Å; V277-L438 HydrophobicContact CB-CD1 4.47Å; V277-L438 HydrophobicContact CG1-CD1 4.45Å; V277-L438 HydrophobicContact CG2-CD1 4.12Å; S431-L438 PolarHBondContact OG-O 3.48Å; Y435-L438 HydrophobicContact CD2-CB 4.41Å; Y435-L438 HydrophobicContact CD2-CD2 3.82Å; Y435-L438 HydrophobicContact CE2-CD2 4.47Å; Y435-L438 HydrophobicContact CG-CB 4.37Å; Y435-L438 HydrophobicContact CG-CD2 4.14Å; L438-V440 HydrophobicContact CD2-CG2 3.67Å; L438-V440 HydrophobicContact CG-CG2 3.93Å; L438-V440 PolarHBondContact O-N 3.26Å
439L93.2Very high87.8Confident0 Ų024.9 Ų24.90%012%0.117CC..  trans-88.3109.8175.5-62.7-176.3000109.9V277 V278 R281 F427 L432 G437 L490 I493 L494V277-L439 HydrophobicContact CG1-CB 4.37Å; V278-L439 HydrophobicContact CB-CD1 4.4Å; V278-L439 HydrophobicContact CG1-CD1 4.23Å; V278-L439 HydrophobicContact CG2-CD1 3.92Å; V278-L439 HydrophobicContact CG2-CG 4.13Å; R281-L439 PolarHBondContact NE-O 3.11Å; R281-L439 PolarHBondContact NH2-O 3.5Å; F427-L439 HydrophobicContact CB-CD2 4.37Å; F427-L439 HydrophobicContact CD1-CB 3.98Å; F427-L439 HydrophobicContact CD1-CD2 4.49Å; F427-L439 HydrophobicContact CD2-CD2 4.21Å; F427-L439 HydrophobicContact CE1-CB 4.08Å; F427-L439 HydrophobicContact CE2-CD1 4.38Å; F427-L439 HydrophobicContact CG-CB 4.43Å; F427-L439 HydrophobicContact CG-CD2 4.1Å; F427-L439 HydrophobicContact CZ-CD1 4.4Å; L432-L439 HydrophobicContact CD1-CD2 3.89Å; G437-L439 PolarHBondContact O-N 3.04Å; L439-L490 HydrophobicContact CD1-CD2 3.99Å; L439-L490 HydrophobicContact CD2-CD2 4.05Å; L439-L490 HydrophobicContact CG-CD2 4.05Å; L439-I493 HydrophobicContact CD1-CD1 3.73Å; L439-I493 HydrophobicContact CD1-CG2 4.01Å; L439-L494 HydrophobicContact CD2-CD2 3.89Å
440V90.8Very high87.4Confident5 Ų526 Ų263%0.0312%0.123CC..  trans-119.8131173.2178.50000106.8T241 R392 F427 C428 S431 L438T241-V440 HydrophobicContact CG2-CG2 3.95Å; R392-V440 VanDerWaalsContact NH1-CG1 3.26Å; F427-V440 CarbonylContact C-O 3.5Å; F427-V440 WeakPolarHBondContact CA-O 3.21Å; C428-V440 PolarHBondContact N-O 3.34Å; S431-V440 WeakPolarHBondContact OG-CG2 3.28Å; L438-V440 HydrophobicContact CD2-CG2 3.67Å; L438-V440 HydrophobicContact CG-CG2 3.93Å; L438-V440 PolarHBondContact O-N 3.26Å
441P89.9Confident86.9Confident26 Ų2625.2 Ų25.217%0.16912%0.121CC..BIsolated β-bridgetrans-60.7141.8175.9-10.823.9000109.8D389D389-P441 HydrophobicContact CB-CG 3.98Å; D389-P441 VanDerWaalsContact OD1-CG 3.28Å; D389-P441 WeakPolarHBondContact OD1-CG 3.19Å; D389-P441 WeakPolarHBondContact OD2-CG 3.35Å
442A86.9Confident86.1Confident15 Ų1529.4 Ų29.412%0.12415%0.148CC..  trans-80.3150.8167.700000110.3G426 C428 A459 F460G426-A442 WeakPolarHBondContact O-CB 3.35Å; G426-A442 PolarHBondContact O-N 3.44Å; C428-A442 HydrophobicContact CB-CB 4.45Å; A442-A459 HydrophobicContact CB-CB 3.31Å; A442-F460 WeakPolarHBondContact CA-O 3.18Å
443D84.7Confident85.1Confident16 Ų1634.9 Ų34.99%0.08618%0.184CC..  trans-88.8103.3169.2-176.68.4000108.3H394 H395 H445 M446 F460H394-D443 VanDerWaalsContact CA-OD2 3.27Å; H394-D443 WeakPolarHBondContact CA-OD2 3.42Å; H394-D443 IonicContact CE1-OD1 2.66Å; H394-D443 IonicContact ND1-OD1 2.6Å; H394-D443 PolarHBondContact ND1-OD1 3.23Å; H394-D443 VanDerWaalsContact ND1-OD1 3.08Å; H394-D443 IonicContact ND1-OD2 2.95Å; H395-D443 PolarHBondContact N-OD2 3.36Å; H395-D443 IonicContact ND1-OD2 3.81Å; D443-H445 PolarHBondContact O-N 3.48Å; D443-H445 WeakPolarHBondContact OD1-CB 3.46Å; D443-H445 IonicContact OD1-CD2 2.87Å; D443-H445 IonicContact OD1-CG 3.83Å; D443-H445 PolarHBondContact OD1-N 3.29Å; D443-H445 VanDerWaalsContact OD1-N 3.17Å; D443-M446 HydrophobicContact CB-CG 4.01Å; D443-M446 HydrophobicContact CB-SD 3.85Å; D443-M446 WeakPolarHBondContact O-CB 3.13Å; D443-M446 PolarHBondContact O-N 2.78Å; D443-M446 WeakPolarHBondContact OD2-CG 3.42Å; D443-F460 PolarHBondContact N-O 3.23Å
444T80.5Confident84.3Confident52 Ų5239.7 Ų39.732%0.31921%0.209SC..G310 helixtrans-71-19.7179.451.40000112.4P411 M446 G447P411-T444 VanDerWaalsContact CD-O 3.28Å; P411-T444 WeakPolarHBondContact CD-O 3.48Å; P411-T444 WeakPolarHBondContact CG-O 3.38Å; T444-M446 VanDerWaalsContact C-N 3.27Å; T444-M446 PolarHBondContact O-N 2.82Å; T444-G447 PolarHBondContact O-N 3.09Å; T444-G447 VanDerWaalsContact O-N 3.11Å
445H79.1Confident83.7Confident87 Ų8738.1 Ų38.140%0.40321%0.211SC..G310 helixtrans-66.7-30.9177.6-66.4-95.1000112.2H394 D443 G447H394-H445 AromaticContact CE1-CD2 3.35Å; H394-H445 PolarHBondContact CE1-CD2 3.37Å; H394-H445 AromaticContact CE1-NE2 3.67Å; H394-H445 AromaticContact ND1-CD2 3.33Å; H394-H445 PolarHBondContact ND1-CD2 3.21Å; H394-H445 VanDerWaalsContact ND1-CD2 3.33Å; H394-H445 AromaticContact ND1-CG 3.82Å; D443-H445 PolarHBondContact O-N 3.48Å; D443-H445 WeakPolarHBondContact OD1-CB 3.46Å; D443-H445 IonicContact OD1-CD2 2.87Å; D443-H445 IonicContact OD1-CG 3.83Å; D443-H445 PolarHBondContact OD1-N 3.29Å; D443-H445 VanDerWaalsContact OD1-N 3.17Å; H445-G447 PolarHBondContact O-N 2.95Å; H445-G447 VanDerWaalsContact O-N 3.17Å
446M78.7Confident83.3Confident1 Ų137.3 Ų37.31%0.00521%0.209CC..G310 helixtrans-60.8-20.8172.9-75.1178.264.300113.7H395 L398 F410 D443 T444 T462 P463H395-M446 HydrophobicContact CB-CE 4.36Å; H395-M446 HydrophobicContact CB-CG 3.64Å; H395-M446 HydrophobicContact CB-SD 3.72Å; L398-M446 WeakPolarHBondContact CB-O 3.47Å; L398-M446 HydrophobicContact CD2-CE 3.65Å; L398-M446 HydrophobicContact CG-CB 4.28Å; L398-M446 HydrophobicContact CG-CE 4.12Å; L398-M446 VanDerWaalsContact CG-O 3.28Å; L398-M446 WeakPolarHBondContact CG-O 3.17Å; L398-M446 PolarHBondContact N-O 3Å; F410-M446 WeakPolarHBondContact CE1-O 3.4Å; D443-M446 HydrophobicContact CB-CG 4.01Å; D443-M446 HydrophobicContact CB-SD 3.85Å; D443-M446 WeakPolarHBondContact O-CB 3.13Å; D443-M446 PolarHBondContact O-N 2.78Å; D443-M446 WeakPolarHBondContact OD2-CG 3.42Å; T444-M446 VanDerWaalsContact C-N 3.27Å; T444-M446 PolarHBondContact O-N 2.82Å; M446-T462 VanDerWaalsContact CE-C 3.43Å; M446-P463 HydrophobicContact CE-CB 3.95Å; M446-P463 HydrophobicContact CE-CG 4.4Å; M446-P463 VanDerWaalsContact CE-N 3.26Å
447G79.2Confident83Confident0 Ų035.6 Ų35.60%020%0.201CC..  trans99.3158.5-170.500000113I409 T444 H445I409-G447 CarbonylContact O-C 3.5Å; I409-G447 VanDerWaalsContact O-CA 3.24Å; I409-G447 WeakPolarHBondContact O-CA 3.31Å; T444-G447 PolarHBondContact O-N 3.09Å; T444-G447 VanDerWaalsContact O-N 3.11Å; H445-G447 PolarHBondContact O-N 2.95Å; H445-G447 VanDerWaalsContact O-N 3.17Å
448V84.8Confident82.9Confident0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-117.4132.3-174.3179.60000108.7I409 L420 T422 M457 Y458 A459I409-V448 PolarHBondContact N-O 3.22Å; I409-V448 PolarHBondContact O-N 2.98Å; L420-V448 HydrophobicContact CD2-CB 4.47Å; L420-V448 HydrophobicContact CD2-CG2 4.18Å; T422-V448 HydrophobicContact CG2-CG1 4.03Å; T422-V448 HydrophobicContact CG2-CG2 4.01Å; V448-M457 HydrophobicContact CG1-CB 3.6Å; V448-M457 HydrophobicContact CG1-CG 4.06Å; V448-M457 HydrophobicContact CG1-SD 4.45Å; V448-Y458 WeakPolarHBondContact CG1-O 3.47Å; V448-A459 HydrophobicContact CG2-CB 4.42Å
449L85Confident82.6Confident0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-81.7123.5177-68.5-179.3000110.5C403 C408 M457 Y458 F460 F469 V470C403-L449 HydrophobicContact CB-CD2 4.21Å; C408-L449 WeakPolarHBondContact SG-CD2 3.41Å; L449-M457 CarbonylContact O-C 3.53Å; L449-M457 WeakPolarHBondContact O-CA 3.07Å; L449-Y458 PolarHBondContact N-O 3.28Å; L449-Y458 PolarHBondContact O-N 2.91Å; L449-F460 HydrophobicContact CB-CE2 4.09Å; L449-F460 HydrophobicContact CD1-CD2 4.33Å; L449-F460 HydrophobicContact CD1-CE2 3.4Å; L449-F460 VanDerWaalsContact CD1-CE2 3.4Å; L449-F460 HydrophobicContact CD1-CZ 3.8Å; L449-F460 HydrophobicContact CG-CD2 4.48Å; L449-F460 HydrophobicContact CG-CE2 3.72Å; L449-F469 HydrophobicContact CD1-CD1 4.29Å; L449-V470 HydrophobicContact CD1-CG2 3.58Å
450L82.4Confident82.5Confident23 Ų2336.6 Ų36.612%0.1221%0.205CC..EExtended strand (participates in β ladder)trans-92.6116.4169-170.374.9000109.6Q407 I409 N455 K456 M457Q407-L450 HydrophobicContact CB-CB 4.26Å; Q407-L450 HydrophobicContact CB-CD2 4.48Å; Q407-L450 WeakPolarHBondContact O-CB 3.42Å; Q407-L450 PolarHBondContact O-N 3.29Å; I409-L450 HydrophobicContact CD1-CB 4.22Å; I409-L450 HydrophobicContact CD1-CD1 4.39Å; I409-L450 HydrophobicContact CD1-CD2 4.39Å; L450-N455 VanDerWaalsContact CD1-C 3.42Å; L450-N455 HydrophobicContact CD1-CB 3.98Å; L450-N455 WeakPolarHBondContact CD1-O 3.32Å; L450-N455 HydrophobicContact CG-CB 4.43Å; L450-K456 WeakPolarHBondContact CA-O 3.47Å; L450-M457 HydrophobicContact CD1-CG 3.78Å
451L80.2Confident82.3Confident14 Ų1437.3 Ų37.37%0.07321%0.21CC..EExtended strand (participates in β ladder)trans-102.9123.6175.8-69.7-175.4000111.9N406 N455 K456 Y458 F469 T473 L477N406-L451 HydrophobicContact CB-CD2 4.18Å; N406-L451 VanDerWaalsContact CG-CD2 3.43Å; N406-L451 VanDerWaalsContact ND2-CD2 3.32Å; N406-L451 WeakPolarHBondContact ND2-CD2 3.34Å; L451-N455 WeakPolarHBondContact O-CA 3.42Å; L451-N455 PolarHBondContact O-N 2.86Å; L451-K456 PolarHBondContact N-O 3.18Å; L451-K456 PolarHBondContact O-N 2.83Å; L451-Y458 HydrophobicContact CB-CD2 4.06Å; L451-Y458 HydrophobicContact CB-CE2 3.87Å; L451-Y458 HydrophobicContact CD1-CD2 3.57Å; L451-Y458 HydrophobicContact CD1-CE2 3.54Å; L451-Y458 HydrophobicContact CG-CD2 3.76Å; L451-Y458 HydrophobicContact CG-CE2 3.95Å; L451-F469 HydrophobicContact CD1-CE1 3.8Å; L451-F469 HydrophobicContact CD1-CZ 3.9Å; L451-T473 HydrophobicContact CD1-CG2 3.49Å; L451-T473 VanDerWaalsContact CD1-CG2 3.49Å; L451-T473 HydrophobicContact CD2-CG2 4.41Å; L451-L477 HydrophobicContact CD1-CD1 4.2Å
452P74.7Confident82.1Confident90 Ų9038.1 Ų38.158%0.58422%0.215SC*.THydrogen-bonded Turntrans-66.5157.4165.6-18.832.3000112.2
453P71.4Confident82Confident118 Ų11838.4 Ų38.477%0.76622%0.215SC*.THydrogen-bonded Turncis-88.3-18.31.634.2-34.7000114.3N455P453-N455 PolarHBondContact O-N 2.98Å
454D74.5Confident82Confident112 Ų11243.3 Ų43.360%0.59924%0.238SC*.THydrogen-bonded Turntrans-76-6.8-174-69.1-11.8000113.3K456D454-K456 HydrophobicContact CB-CD 4.13Å; D454-K456 HydrophobicContact CB-CG 3.87Å; D454-K456 PolarHBondContact O-N 3.26Å; D454-K456 WeakPolarHBondContact OD2-CE 3.41Å; D454-K456 IonicContact OD2-NZ 2.68Å; D454-K456 PolarHBondContact OD2-NZ 3.01Å
455N77.5Confident82.4Confident103 Ų10340.9 Ų40.955%0.55122%0.223SC*.THydrogen-bonded Turntrans53.442.8-174.2-65.9-23.7000112L450 L451 P453L450-N455 VanDerWaalsContact CD1-C 3.42Å; L450-N455 HydrophobicContact CD1-CB 3.98Å; L450-N455 WeakPolarHBondContact CD1-O 3.32Å; L450-N455 HydrophobicContact CG-CB 4.43Å; L451-N455 WeakPolarHBondContact O-CA 3.42Å; L451-N455 PolarHBondContact O-N 2.86Å; P453-N455 PolarHBondContact O-N 2.98Å
456K82.8Confident82.7Confident44 Ų4436.8 Ų36.819%0.19120%0.204CC..EExtended strand (participates in β ladder)trans-81.5140.9176.1-71.5179.3-175.9174.70110.6L450 L451 D454 Y458 Y498L450-K456 WeakPolarHBondContact CA-O 3.47Å; L451-K456 PolarHBondContact N-O 3.18Å; L451-K456 PolarHBondContact O-N 2.83Å; D454-K456 HydrophobicContact CB-CD 4.13Å; D454-K456 HydrophobicContact CB-CG 3.87Å; D454-K456 PolarHBondContact O-N 3.26Å; D454-K456 WeakPolarHBondContact OD2-CE 3.41Å; D454-K456 IonicContact OD2-NZ 2.68Å; D454-K456 PolarHBondContact OD2-NZ 3.01Å; K456-Y458 HydrophobicContact CB-CE1 4.39Å; K456-Y458 HydrophobicContact CB-CE2 3.84Å; K456-Y498 PolarHBondContact NZ-OH 3.46Å
457M84.2Confident83.1Confident41 Ų4141.8 Ų41.820%0.20223%0.226CC..EExtended strand (participates in β ladder)trans-101.4121.2-175.2-80.9-167.9-72.700110.7I409 L420 N421 E423 V448 L449 L450I409-M457 HydrophobicContact CD1-SD 4.36Å; L420-M457 HydrophobicContact CD2-SD 4Å; N421-M457 HydrophobicContact CB-CE 4.48Å; N421-M457 WeakPolarHBondContact O-CE 3.49Å; E423-M457 VanDerWaalsContact CB-O 3.29Å; E423-M457 WeakPolarHBondContact CB-O 3.31Å; E423-M457 PolarHBondContact N-O 2.92Å; V448-M457 HydrophobicContact CG1-CB 3.6Å; V448-M457 HydrophobicContact CG1-CG 4.06Å; V448-M457 HydrophobicContact CG1-SD 4.45Å; L449-M457 CarbonylContact O-C 3.53Å; L449-M457 WeakPolarHBondContact O-CA 3.07Å; L450-M457 HydrophobicContact CD1-CG 3.78Å
458Y87.4Confident83.5Confident19 Ų1944.7 Ų44.78%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-122130.3-173-64.9-55.5000111.2E423 I429 V448 L449 L451 K456 F460 L477E423-Y458 HydrophobicContact CB-CD1 3.76Å; E423-Y458 HydrophobicContact CB-CE1 3.77Å; E423-Y458 HydrophobicContact CG-CD1 4.23Å; E423-Y458 HydrophobicContact CG-CE1 3.75Å; I429-Y458 HydrophobicContact CD1-CD1 2.96Å; I429-Y458 HydrophobicContact CD1-CE1 3.72Å; I429-Y458 HydrophobicContact CD1-CG 3.65Å; I429-Y458 HydrophobicContact CG1-CD1 4.43Å; V448-Y458 WeakPolarHBondContact CG1-O 3.47Å; L449-Y458 PolarHBondContact N-O 3.28Å; L449-Y458 PolarHBondContact O-N 2.91Å; L451-Y458 HydrophobicContact CB-CD2 4.06Å; L451-Y458 HydrophobicContact CB-CE2 3.87Å; L451-Y458 HydrophobicContact CD1-CD2 3.57Å; L451-Y458 HydrophobicContact CD1-CE2 3.54Å; L451-Y458 HydrophobicContact CG-CD2 3.76Å; L451-Y458 HydrophobicContact CG-CE2 3.95Å; K456-Y458 HydrophobicContact CB-CE1 4.39Å; K456-Y458 HydrophobicContact CB-CE2 3.84Å; Y458-F460 WeakPolarHBondContact O-CE2 3.34Å; Y458-L477 HydrophobicContact CE1-CD2 4.37Å; Y458-L477 HydrophobicContact CE2-CD2 4.09Å; Y458-L477 WeakPolarHBondContact OH-CD2 3.34Å
459A87.8Confident83.6Confident0 Ų044.7 Ų44.70%024%0.24CC..  trans-117.1153.1-174.200000112.1T422 C428 A442 V448T422-A459 HydrophobicContact CG2-CB 4.22Å; C428-A459 WeakPolarHBondContact CA-O 3.38Å; A442-A459 HydrophobicContact CB-CB 3.31Å; V448-A459 HydrophobicContact CG2-CB 4.42Å
460F90Very high83.7Confident2 Ų246.1 Ų46.11%0.00925%0.248CC..  trans-132.2152.8-171.8-56.5-85.5000112.4W430 A442 D443 L449 Y458 A466 F469W430-F460 HydrophobicContact CB-CD1 4.21Å; A442-F460 WeakPolarHBondContact CA-O 3.18Å; D443-F460 PolarHBondContact N-O 3.23Å; L449-F460 HydrophobicContact CB-CE2 4.09Å; L449-F460 HydrophobicContact CD1-CD2 4.33Å; L449-F460 HydrophobicContact CD1-CE2 3.4Å; L449-F460 VanDerWaalsContact CD1-CE2 3.4Å; L449-F460 HydrophobicContact CD1-CZ 3.8Å; L449-F460 HydrophobicContact CG-CD2 4.48Å; L449-F460 HydrophobicContact CG-CE2 3.72Å; Y458-F460 WeakPolarHBondContact O-CE2 3.34Å; F460-A466 HydrophobicContact CB-CB 4.11Å; F460-A466 HydrophobicContact CD1-CB 4.29Å; F460-A466 HydrophobicContact CD2-CB 3.89Å; F460-A466 HydrophobicContact CE2-CB 4.49Å; F460-A466 HydrophobicContact CG-CB 3.8Å; F460-F469 HydrophobicContact CD1-CB 4.37Å; F460-F469 HydrophobicContact CE1-CB 3.51Å; F460-F469 AromaticContact CE1-CD1 3.73Å; F460-F469 HydrophobicContact CE1-CD1 3.73Å; F460-F469 AromaticContact CE1-CD2 3.97Å; F460-F469 HydrophobicContact CE1-CD2 3.97Å; F460-F469 HydrophobicContact CE1-CE1 4.42Å; F460-F469 AromaticContact CE1-CG 3.46Å; F460-F469 HydrophobicContact CE1-CG 3.46Å; F460-F469 VanDerWaalsContact CE1-CG 3.46Å; F460-F469 HydrophobicContact CZ-CB 4.07Å; F460-F469 AromaticContact CZ-CD1 3.39Å; F460-F469 HydrophobicContact CZ-CD1 3.39Å; F460-F469 HydrophobicContact CZ-CD2 4.31Å; F460-F469 AromaticContact CZ-CE1 3.81Å; F460-F469 HydrophobicContact CZ-CE1 3.81Å; F460-F469 AromaticContact CZ-CG 3.67Å; F460-F469 HydrophobicContact CZ-CG 3.67Å; F460-F469 HydrophobicContact CZ-CZ 4.44Å
461S87Confident83.9Confident20 Ų2052.1 Ų52.114%0.1428%0.277CS..SBendtrans-88.1-25.6179.357.90000114H395 C428H395-S461 PolarHBondContact CE1-O 3.11Å; C428-S461 PolarHBondContact SG-N 3.08Å; C428-S461 VanDerWaalsContact SG-N 3.35Å; C428-S461 PolarHBondContact SG-OG 3.37Å
462T86.6Confident84.2Confident43 Ų4355.4 Ų55.426%0.26429%0.292SS..SBendtrans-144.5156-179.774.90000110.5M446 E464 A465 A466M446-T462 VanDerWaalsContact CE-C 3.43Å; T462-E464 VanDerWaalsContact C-N 3.26Å; T462-E464 VanDerWaalsContact CB-OE2 3.3Å; T462-E464 WeakPolarHBondContact CB-OE2 3.47Å; T462-E464 PolarHBondContact O-N 3.11Å; T462-E464 PolarHBondContact OG1-OE2 3.42Å; T462-A465 WeakPolarHBondContact O-CB 2.83Å; T462-A465 PolarHBondContact O-N 3.48Å; T462-A465 WeakPolarHBondContact OG1-CB 3.45Å; T462-A465 PolarHBondContact OG1-N 3.11Å; T462-A466 PolarHBondContact O-N 3.03Å
463P84Confident84.7Confident21 Ų2152.4 Ų52.414%0.13627%0.272CS..Hα-helixtrans-64.7-31.3179.122.4-31.9000112.4H395 L398 Y402 M446 A465 A466 K467H395-P463 VanDerWaalsContact CD2-CD 3.47Å; H395-P463 WeakPolarHBondContact CD2-CD 3.03Å; L398-P463 HydrophobicContact CD2-CB 4.37Å; Y402-P463 HydrophobicContact CD1-CB 4.33Å; Y402-P463 WeakPolarHBondContact CD1-O 3.21Å; Y402-P463 HydrophobicContact CE1-CB 4.09Å; M446-P463 HydrophobicContact CE-CB 3.95Å; M446-P463 HydrophobicContact CE-CG 4.4Å; M446-P463 VanDerWaalsContact CE-N 3.26Å; P463-A465 VanDerWaalsContact C-N 3.33Å; P463-A465 PolarHBondContact O-N 3.24Å; P463-A466 PolarHBondContact O-N 3.05Å; P463-K467 PolarHBondContact O-N 3.16Å
464E85.3Confident85.4Confident120 Ų12052.3 Ų52.356%0.56127%0.266SS*.Hα-helixtrans-65.5-38.2175.4-58.673.7-158.800111.6T462 A466 K467 E468T462-E464 VanDerWaalsContact C-N 3.26Å; T462-E464 VanDerWaalsContact CB-OE2 3.3Å; T462-E464 WeakPolarHBondContact CB-OE2 3.47Å; T462-E464 PolarHBondContact O-N 3.11Å; T462-E464 PolarHBondContact OG1-OE2 3.42Å; E464-A466 VanDerWaalsContact C-N 3.34Å; E464-K467 WeakPolarHBondContact O-CB 3.29Å; E464-K467 PolarHBondContact O-N 2.95Å; E464-E468 PolarHBondContact O-N 2.98Å
465A87.5Confident86.1Confident1 Ų153.2 Ų53.21%0.00826%0.264CS..Hα-helixtrans-64.5-40176.400000111.5W430 T462 P463 F469W430-A465 HydrophobicContact CB-CB 3.8Å; W430-A465 HydrophobicContact CD2-CB 3.6Å; W430-A465 HydrophobicContact CE3-CB 3.72Å; W430-A465 HydrophobicContact CG-CB 3.63Å; T462-A465 WeakPolarHBondContact O-CB 2.83Å; T462-A465 PolarHBondContact O-N 3.48Å; T462-A465 WeakPolarHBondContact OG1-CB 3.45Å; T462-A465 PolarHBondContact OG1-N 3.11Å; P463-A465 VanDerWaalsContact C-N 3.33Å; P463-A465 PolarHBondContact O-N 3.24Å; A465-F469 VanDerWaalsContact O-CB 3.27Å; A465-F469 WeakPolarHBondContact O-CB 3.44Å; A465-F469 PolarHBondContact O-N 3.03Å; A465-F469 VanDerWaalsContact O-N 3.09Å
466A87Confident86.6Confident0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-64.2-44.6172.800000111.4L398 F460 T462 P463 E464 F469 V470L398-A466 HydrophobicContact CD1-CB 4.4Å; L398-A466 HydrophobicContact CD2-CB 3.83Å; F460-A466 HydrophobicContact CB-CB 4.11Å; F460-A466 HydrophobicContact CD1-CB 4.29Å; F460-A466 HydrophobicContact CD2-CB 3.89Å; F460-A466 HydrophobicContact CE2-CB 4.49Å; F460-A466 HydrophobicContact CG-CB 3.8Å; T462-A466 PolarHBondContact O-N 3.03Å; P463-A466 PolarHBondContact O-N 3.05Å; E464-A466 VanDerWaalsContact C-N 3.34Å; A466-F469 PolarHBondContact O-N 3.02Å; A466-V470 WeakPolarHBondContact O-CG2 3.48Å; A466-V470 PolarHBondContact O-N 3.36Å
467K86.2Confident86.7Confident106 Ų10649.1 Ų49.146%0.46124%0.244SC..Hα-helixtrans-58-52.3177.7-165.3174.3178.6169.50112.5Y402 P463 E464 F469 V470 M471Y402-K467 HydrophobicContact CD1-CB 3.81Å; Y402-K467 HydrophobicContact CD1-CD 4.37Å; Y402-K467 HydrophobicContact CD1-CG 4.27Å; Y402-K467 HydrophobicContact CE1-CB 4.12Å; Y402-K467 HydrophobicContact CE1-CD 4.05Å; Y402-K467 HydrophobicContact CE1-CG 4.44Å; P463-K467 PolarHBondContact O-N 3.16Å; E464-K467 WeakPolarHBondContact O-CB 3.29Å; E464-K467 PolarHBondContact O-N 2.95Å; K467-F469 VanDerWaalsContact C-N 3.3Å; K467-F469 PolarHBondContact O-N 3.39Å; K467-V470 PolarHBondContact O-N 3.21Å; K467-M471 HydrophobicContact CG-SD 4.43Å; K467-M471 VanDerWaalsContact O-CG 3.31Å; K467-M471 WeakPolarHBondContact O-CG 3.41Å; K467-M471 PolarHBondContact O-N 2.9Å
468E86.5Confident86.9Confident62 Ų6254.3 Ų54.329%0.2927%0.265SS..Hα-helixtrans-64.9-38.3-178.3-170.6-179.4166.900111W430 R434 E464 M471 E472 F476W430-E468 WeakPolarHBondContact CZ2-OE2 3.39Å; W430-E468 VanDerWaalsContact NE1-CD 3.26Å; W430-E468 PolarHBondContact NE1-OE2 3Å; R434-E468 IonicContact NH1-OE1 3.78Å; E464-E468 PolarHBondContact O-N 2.98Å; E468-M471 PolarHBondContact O-N 3.4Å; E468-E472 PolarHBondContact O-N 2.68Å; E468-F476 HydrophobicContact CG-CE2 4.26Å; E468-F476 HydrophobicContact CG-CZ 4.14Å; E468-F476 WeakPolarHBondContact O-CE2 3.38Å
469F88.4Confident86.9Confident0 Ų054.2 Ų54.20%027%0.268CS..Hα-helixtrans-61-49.1174.7177.3-93.2000111.8I429 L449 L451 F460 A465 A466 K467 M471 E472 T473 F476 L477I429-F469 HydrophobicContact CG2-CE2 4.08Å; L449-F469 HydrophobicContact CD1-CD1 4.29Å; L451-F469 HydrophobicContact CD1-CE1 3.8Å; L451-F469 HydrophobicContact CD1-CZ 3.9Å; F460-F469 HydrophobicContact CD1-CB 4.37Å; F460-F469 HydrophobicContact CE1-CB 3.51Å; F460-F469 AromaticContact CE1-CD1 3.73Å; F460-F469 HydrophobicContact CE1-CD1 3.73Å; F460-F469 AromaticContact CE1-CD2 3.97Å; F460-F469 HydrophobicContact CE1-CD2 3.97Å; F460-F469 HydrophobicContact CE1-CE1 4.42Å; F460-F469 AromaticContact CE1-CG 3.46Å; F460-F469 HydrophobicContact CE1-CG 3.46Å; F460-F469 VanDerWaalsContact CE1-CG 3.46Å; F460-F469 HydrophobicContact CZ-CB 4.07Å; F460-F469 AromaticContact CZ-CD1 3.39Å; F460-F469 HydrophobicContact CZ-CD1 3.39Å; F460-F469 HydrophobicContact CZ-CD2 4.31Å; F460-F469 AromaticContact CZ-CE1 3.81Å; F460-F469 HydrophobicContact CZ-CE1 3.81Å; F460-F469 AromaticContact CZ-CG 3.67Å; F460-F469 HydrophobicContact CZ-CG 3.67Å; F460-F469 HydrophobicContact CZ-CZ 4.44Å; A465-F469 VanDerWaalsContact O-CB 3.27Å; A465-F469 WeakPolarHBondContact O-CB 3.44Å; A465-F469 PolarHBondContact O-N 3.03Å; A465-F469 VanDerWaalsContact O-N 3.09Å; A466-F469 PolarHBondContact O-N 3.02Å; K467-F469 VanDerWaalsContact C-N 3.3Å; K467-F469 PolarHBondContact O-N 3.39Å; F469-M471 VanDerWaalsContact C-N 3.32Å; F469-M471 PolarHBondContact O-N 2.95Å; F469-E472 CarbonylContact O-C 3.09Å; F469-E472 VanDerWaalsContact O-C 3.28Å; F469-E472 PolarHBondContact O-N 3.46Å; F469-T473 HydrophobicContact CE1-CG2 4.13Å; F469-T473 HydrophobicContact CZ-CG2 4.18Å; F469-T473 WeakPolarHBondContact O-CA 3.24Å; F469-T473 PolarHBondContact O-N 2.99Å; F469-T473 PolarHBondContact O-OG1 2.96Å; F469-F476 HydrophobicContact CD2-CB 3.52Å; F469-F476 HydrophobicContact CD2-CD1 4.19Å; F469-F476 HydrophobicContact CD2-CD2 4.04Å; F469-F476 AromaticContact CD2-CG 3.67Å; F469-F476 HydrophobicContact CD2-CG 3.67Å; F469-F476 HydrophobicContact CE2-CB 3.55Å; F469-F476 HydrophobicContact CE2-CG 4.23Å; F469-L477 HydrophobicContact CZ-CD2 4.23Å; F469-L477 HydrophobicContact CZ-CG 4.49Å
470V86.7Confident86.9Confident29 Ų2954.8 Ų54.818%0.17627%0.271CS..Hα-helixtrans-61-41.6179.4164.50000111.6Y402 L449 A466 K467 E472 T473Y402-V470 WeakPolarHBondContact O-CG2 3.47Å; L449-V470 HydrophobicContact CD1-CG2 3.58Å; A466-V470 WeakPolarHBondContact O-CG2 3.48Å; A466-V470 PolarHBondContact O-N 3.36Å; K467-V470 PolarHBondContact O-N 3.21Å; V470-E472 VanDerWaalsContact C-N 3.28Å; V470-E472 PolarHBondContact O-N 3.43Å; V470-T473 WeakPolarHBondContact CA-OG1 3.34Å; V470-T473 PolarHBondContact O-OG1 3.33Å
471M86.4Confident86.7Confident149 Ų14956 Ų5673%0.73428%0.279SS*.Hα-helixtrans-59.8-34.6177.5-72.8-178.771.300113.4K467 E468 F469K467-M471 HydrophobicContact CG-SD 4.43Å; K467-M471 VanDerWaalsContact O-CG 3.31Å; K467-M471 WeakPolarHBondContact O-CG 3.41Å; K467-M471 PolarHBondContact O-N 2.9Å; E468-M471 PolarHBondContact O-N 3.4Å; F469-M471 VanDerWaalsContact C-N 3.32Å; F469-M471 PolarHBondContact O-N 2.95Å
472E85.7Confident86.7Confident83 Ų8360.9 Ų60.939%0.38830%0.3SS..THydrogen-bonded Turntrans-127.641.1-178.1-62.1-166.3152.200113.1E468 F469 V470 D474 K475 F476E468-E472 PolarHBondContact O-N 2.68Å; F469-E472 CarbonylContact O-C 3.09Å; F469-E472 VanDerWaalsContact O-C 3.28Å; F469-E472 PolarHBondContact O-N 3.46Å; V470-E472 VanDerWaalsContact C-N 3.28Å; V470-E472 PolarHBondContact O-N 3.43Å; E472-D474 PolarHBondContact O-N 3.16Å; E472-K475 HydrophobicContact CB-CB 4.22Å; E472-K475 HydrophobicContact CB-CD 4.35Å; E472-K475 WeakPolarHBondContact O-CB 3.31Å; E472-K475 PolarHBondContact O-N 3.22Å; E472-K475 IonicContact OE1-NZ 3.82Å; E472-K475 WeakPolarHBondContact OE2-CD 3.49Å; E472-K475 WeakPolarHBondContact OE2-CE 3.2Å; E472-K475 IonicContact OE2-NZ 3.14Å; E472-K475 PolarHBondContact OE2-NZ 3.07Å; E472-F476 HydrophobicContact CB-CD2 4.12Å; E472-F476 HydrophobicContact CB-CE2 4.1Å; E472-F476 WeakPolarHBondContact O-CD2 3.38Å; E472-F476 PolarHBondContact O-N 3.46Å
473T86.3Confident86.8Confident28 Ų2859 Ų5917%0.17229%0.288CS..Hα-helixtrans-48.7-51-170.5-60.50000113.1L451 F469 V470 K475 F476 L477L451-T473 HydrophobicContact CD1-CG2 3.49Å; L451-T473 VanDerWaalsContact CD1-CG2 3.49Å; L451-T473 HydrophobicContact CD2-CG2 4.41Å; F469-T473 HydrophobicContact CE1-CG2 4.13Å; F469-T473 HydrophobicContact CZ-CG2 4.18Å; F469-T473 WeakPolarHBondContact O-CA 3.24Å; F469-T473 PolarHBondContact O-N 2.99Å; F469-T473 PolarHBondContact O-OG1 2.96Å; V470-T473 WeakPolarHBondContact CA-OG1 3.34Å; V470-T473 PolarHBondContact O-OG1 3.33Å; T473-K475 VanDerWaalsContact C-N 3.28Å; T473-K475 PolarHBondContact O-N 3.4Å; T473-F476 PolarHBondContact O-N 2.89Å; T473-L477 HydrophobicContact CG2-CD1 3.84Å; T473-L477 HydrophobicContact CG2-CG 4.27Å; T473-L477 WeakPolarHBondContact O-CG 3.21Å; T473-L477 PolarHBondContact O-N 2.98Å
474D86.2Confident87Confident116 Ų11658 Ų5862%0.6228%0.281SS*.Hα-helixtrans-61.2-33.8-178.2-74.8-30.4000113.7E472 K478E472-D474 PolarHBondContact O-N 3.16Å; D474-K478 WeakPolarHBondContact O-CB 3.41Å; D474-K478 VanDerWaalsContact O-CG 3.25Å; D474-K478 WeakPolarHBondContact O-CG 3.12Å; D474-K478 PolarHBondContact O-N 3.36Å
475K88.8Confident87Confident130 Ų13056.5 Ų56.557%0.56527%0.271SS*.Hα-helixtrans-72.7-44-179-174.9-168.4179.7-178.60110.3E472 T473 K478 A479E472-K475 HydrophobicContact CB-CB 4.22Å; E472-K475 HydrophobicContact CB-CD 4.35Å; E472-K475 WeakPolarHBondContact O-CB 3.31Å; E472-K475 PolarHBondContact O-N 3.22Å; E472-K475 IonicContact OE1-NZ 3.82Å; E472-K475 WeakPolarHBondContact OE2-CD 3.49Å; E472-K475 WeakPolarHBondContact OE2-CE 3.2Å; E472-K475 IonicContact OE2-NZ 3.14Å; E472-K475 PolarHBondContact OE2-NZ 3.07Å; T473-K475 VanDerWaalsContact C-N 3.28Å; T473-K475 PolarHBondContact O-N 3.4Å; K475-K478 PolarHBondContact O-N 3.42Å; K475-A479 VanDerWaalsContact O-CB 3.31Å; K475-A479 WeakPolarHBondContact O-CB 3.46Å; K475-A479 PolarHBondContact O-N 3.29Å
476F87Confident87Confident10 Ų1060.9 Ų60.94%0.04429%0.287CS..Hα-helixtrans-61.3-47.3174.2-78.6-83.5000111W430 V433 E468 F469 E472 T473 K478 A479 I480W430-F476 AromaticContact CD1-CE1 3.67Å; W430-F476 AromaticContact CD1-CZ 3.58Å; W430-F476 HydrophobicContact CG-CE1 4.32Å; W430-F476 AromaticContact NE1-CZ 3.96Å; V433-F476 HydrophobicContact CB-CD1 3.67Å; V433-F476 HydrophobicContact CB-CE1 4.09Å; V433-F476 HydrophobicContact CG1-CD1 3.62Å; V433-F476 HydrophobicContact CG1-CE1 4Å; V433-F476 HydrophobicContact CG2-CD1 4.08Å; E468-F476 HydrophobicContact CG-CE2 4.26Å; E468-F476 HydrophobicContact CG-CZ 4.14Å; E468-F476 WeakPolarHBondContact O-CE2 3.38Å; F469-F476 HydrophobicContact CD2-CB 3.52Å; F469-F476 HydrophobicContact CD2-CD1 4.19Å; F469-F476 HydrophobicContact CD2-CD2 4.04Å; F469-F476 AromaticContact CD2-CG 3.67Å; F469-F476 HydrophobicContact CD2-CG 3.67Å; F469-F476 HydrophobicContact CE2-CB 3.55Å; F469-F476 HydrophobicContact CE2-CG 4.23Å; E472-F476 HydrophobicContact CB-CD2 4.12Å; E472-F476 HydrophobicContact CB-CE2 4.1Å; E472-F476 WeakPolarHBondContact O-CD2 3.38Å; E472-F476 PolarHBondContact O-N 3.46Å; T473-F476 PolarHBondContact O-N 2.89Å; F476-K478 VanDerWaalsContact C-N 3.34Å; F476-K478 PolarHBondContact O-N 3.13Å; F476-A479 PolarHBondContact O-N 3.4Å; F476-A479 VanDerWaalsContact O-N 3.15Å; F476-I480 WeakPolarHBondContact O-CG1 3.33Å; F476-I480 PolarHBondContact O-N 2.87Å; F476-I480 VanDerWaalsContact O-N 3.15Å
477L86.7Confident87.1Confident52 Ų5262.2 Ų62.227%0.27229%0.294SS..Hα-helixtrans-61.2-38.7179.1-68.3179.1000113.1L451 Y458 F469 T473 I480 P481L451-L477 HydrophobicContact CD1-CD1 4.2Å; Y458-L477 HydrophobicContact CE1-CD2 4.37Å; Y458-L477 HydrophobicContact CE2-CD2 4.09Å; Y458-L477 WeakPolarHBondContact OH-CD2 3.34Å; F469-L477 HydrophobicContact CZ-CD2 4.23Å; F469-L477 HydrophobicContact CZ-CG 4.49Å; T473-L477 HydrophobicContact CG2-CD1 3.84Å; T473-L477 HydrophobicContact CG2-CG 4.27Å; T473-L477 WeakPolarHBondContact O-CG 3.21Å; T473-L477 PolarHBondContact O-N 2.98Å; L477-I480 HydrophobicContact CD2-CD1 4.16Å; L477-P481 VanDerWaalsContact O-CD 3.28Å; L477-P481 WeakPolarHBondContact O-CD 3.27Å
478K87.1Confident87Confident149 Ų14957.2 Ų57.265%0.64827%0.272SS*.Hα-helixtrans-71-33175.3-74.3172-175.4170.80113.1D474 K475 F476 P481D474-K478 WeakPolarHBondContact O-CB 3.41Å; D474-K478 VanDerWaalsContact O-CG 3.25Å; D474-K478 WeakPolarHBondContact O-CG 3.12Å; D474-K478 PolarHBondContact O-N 3.36Å; K475-K478 PolarHBondContact O-N 3.42Å; F476-K478 VanDerWaalsContact C-N 3.34Å; F476-K478 PolarHBondContact O-N 3.13Å; K478-P481 WeakPolarHBondContact O-CD 3.39Å
479A88.2Confident87.2Confident17 Ų1754.4 Ų54.414%0.1426%0.26CS..Hα-helixtrans-74-24.9179.900000113.3V433 K475 F476 E482 V483V433-A479 HydrophobicContact CG1-CB 3.6Å; V433-A479 HydrophobicContact CG2-CB 4.43Å; K475-A479 VanDerWaalsContact O-CB 3.31Å; K475-A479 WeakPolarHBondContact O-CB 3.46Å; K475-A479 PolarHBondContact O-N 3.29Å; F476-A479 PolarHBondContact O-N 3.4Å; F476-A479 VanDerWaalsContact O-N 3.15Å; A479-E482 WeakPolarHBondContact O-CB 3.24Å; A479-E482 PolarHBondContact O-N 3.19Å; A479-E482 VanDerWaalsContact O-N 3.12Å; A479-V483 WeakPolarHBondContact O-CG2 3.28Å; A479-V483 PolarHBondContact O-N 3.05Å
480I87.9Confident87.4Confident13 Ų1354.4 Ų54.47%0.06726%0.26CS..Hα-helixtrans-55.4-56.1179.7-71.1164.5000111.7I429 V433 F476 L477 E482 V483 I484 L496I429-I480 HydrophobicContact CG2-CD1 3.63Å; I429-I480 HydrophobicContact CG2-CG1 4.19Å; V433-I480 HydrophobicContact CG2-CG1 3.69Å; F476-I480 WeakPolarHBondContact O-CG1 3.33Å; F476-I480 PolarHBondContact O-N 2.87Å; F476-I480 VanDerWaalsContact O-N 3.15Å; L477-I480 HydrophobicContact CD2-CD1 4.16Å; I480-E482 PolarHBondContact O-N 3.22Å; I480-V483 PolarHBondContact O-N 3.5Å; I480-I484 HydrophobicContact CG2-CD1 3.51Å; I480-I484 HydrophobicContact CG2-CG1 4.48Å; I480-I484 WeakPolarHBondContact O-CD1 3.45Å; I480-I484 VanDerWaalsContact O-CG1 3.3Å; I480-I484 WeakPolarHBondContact O-CG1 3.16Å; I480-I484 PolarHBondContact O-N 2.88Å; I480-L496 HydrophobicContact CG2-CD1 4.45Å
481P86Confident87.5Confident28 Ų2853.6 Ų53.618%0.18225%0.254CS..Hα-helixtrans-57.5-33.1175.6-26.533.3000114.1L477 K478 R485L477-P481 VanDerWaalsContact O-CD 3.28Å; L477-P481 WeakPolarHBondContact O-CD 3.27Å; K478-P481 WeakPolarHBondContact O-CD 3.39Å; P481-R485 WeakPolarHBondContact O-CB 3.04Å; P481-R485 WeakPolarHBondContact O-CG 3.38Å; P481-R485 PolarHBondContact O-N 3.49Å
482E86.3Confident87.5Confident121 Ų12148.1 Ų48.157%0.56523%0.23SC*.Hα-helixtrans-68.2-44.5179-61.7179.217100111.7A479 I480 R485 R486A479-E482 WeakPolarHBondContact O-CB 3.24Å; A479-E482 PolarHBondContact O-N 3.19Å; A479-E482 VanDerWaalsContact O-N 3.12Å; I480-E482 PolarHBondContact O-N 3.22Å; E482-R485 PolarHBondContact O-N 3.41Å; E482-R486 PolarHBondContact O-N 3.49Å
483V88.7Confident87.7Confident3 Ų344.2 Ų44.22%0.01821%0.211CC..Hα-helixtrans-62.2-46176.2172.80000110.8A479 I480 R486 L487 L490A479-V483 WeakPolarHBondContact O-CG2 3.28Å; A479-V483 PolarHBondContact O-N 3.05Å; I480-V483 PolarHBondContact O-N 3.5Å; V483-R486 PolarHBondContact O-N 3.01Å; V483-L487 PolarHBondContact O-N 3.42Å; V483-L490 HydrophobicContact CG1-CD1 4.33Å
484I88.1Confident87.9Confident0 Ų043 Ų430%020%0.204CC..Hα-helixtrans-68.5-36.9-177.5-62.3161.8000112I480 R486 L487 I491 L496 L499 F500I480-I484 HydrophobicContact CG2-CD1 3.51Å; I480-I484 HydrophobicContact CG2-CG1 4.48Å; I480-I484 WeakPolarHBondContact O-CD1 3.45Å; I480-I484 VanDerWaalsContact O-CG1 3.3Å; I480-I484 WeakPolarHBondContact O-CG1 3.16Å; I480-I484 PolarHBondContact O-N 2.88Å; I484-R486 PolarHBondContact O-N 3.2Å; I484-L487 CarbonylContact O-C 3.59Å; I484-L487 PolarHBondContact O-N 3.44Å; I484-L487 VanDerWaalsContact O-N 3.16Å; I484-L487 VanDerWaalsContact O-O 3.1Å; I484-I491 HydrophobicContact CG2-CB 4.45Å; I484-I491 HydrophobicContact CG2-CD1 4.17Å; I484-I491 HydrophobicContact CG2-CG1 3.29Å; I484-L496 HydrophobicContact CD1-CB 4.37Å; I484-L496 HydrophobicContact CD1-CD1 3.26Å; I484-L496 HydrophobicContact CD1-CG 4.43Å; I484-L496 HydrophobicContact CG1-CD1 4.43Å; I484-L499 HydrophobicContact CD1-CD1 4.16Å; I484-F500 HydrophobicContact CB-CE2 4.35Å; I484-F500 HydrophobicContact CB-CZ 4.04Å; I484-F500 HydrophobicContact CG2-CE2 3.51Å; I484-F500 HydrophobicContact CG2-CZ 3.61Å
485R85.8Confident87.9Confident90 Ų9043.1 Ų43.134%0.3420%0.199SC..Hα-helixtrans-60.2-36.2176.1-81.3-177.3-159.3107.6-0.6112.6L42 D43 P481 E482 F500L42-R485 WeakPolarHBondContact O-CB 3.47Å; D43-R485 WeakPolarHBondContact CA-O 3.48Å; P481-R485 WeakPolarHBondContact O-CB 3.04Å; P481-R485 WeakPolarHBondContact O-CG 3.38Å; P481-R485 PolarHBondContact O-N 3.49Å; E482-R485 PolarHBondContact O-N 3.41Å; R485-F500 HydrophobicContact CG-CE1 3.67Å; R485-F500 HydrophobicContact CG-CZ 4.24Å
486R86.6Confident87.6Confident92 Ų9237.1 Ų37.135%0.34717%0.173SC..Hα-helixtrans-76.9-31.9175.9-177.1-178.852.7-179.2-16.2112.5E482 V483 I484 P488E482-R486 PolarHBondContact O-N 3.49Å; V483-R486 PolarHBondContact O-N 3.01Å; I484-R486 PolarHBondContact O-N 3.2Å; R486-P488 VanDerWaalsContact C-CD 3.48Å; R486-P488 VanDerWaalsContact O-CD 3.28Å; R486-P488 WeakPolarHBondContact O-CD 3.27Å
487L88.5Confident87.2Confident28 Ų2840 Ų4015%0.14719%0.189CC..  trans-118.575.6-178.7-62.4177.7000110.8Q436 V483 I484 E489 L490Q436-L487 WeakPolarHBondContact O-CD1 3.36Å; V483-L487 PolarHBondContact O-N 3.42Å; I484-L487 CarbonylContact O-C 3.59Å; I484-L487 PolarHBondContact O-N 3.44Å; I484-L487 VanDerWaalsContact O-N 3.16Å; I484-L487 VanDerWaalsContact O-O 3.1Å; L487-E489 WeakPolarHBondContact CA-OE2 3.13Å; L487-E489 PolarHBondContact O-N 3.4Å; L487-L490 HydrophobicContact CB-CD1 3.64Å; L487-L490 HydrophobicContact CB-CG 3.93Å; L487-L490 HydrophobicContact CD1-CD1 3.93Å; L487-L490 HydrophobicContact CG-CD1 4.46Å; L487-L490 VanDerWaalsContact O-CB 3.3Å; L487-L490 WeakPolarHBondContact O-CB 3.15Å; L487-L490 WeakPolarHBondContact O-CG 3.42Å; L487-L490 PolarHBondContact O-N 2.9Å
488P86.1Confident86.7Confident1 Ų141.7 Ų41.71%0.00619%0.192CC..THydrogen-bonded Turntrans-63.1-22.4-175.326.9-37.5000114.1A39 I81 R486 L490 I491A39-P488 HydrophobicContact CB-CB 3.62Å; A39-P488 HydrophobicContact CB-CG 3.54Å; I81-P488 HydrophobicContact CD1-CG 4.27Å; R486-P488 VanDerWaalsContact C-CD 3.48Å; R486-P488 VanDerWaalsContact O-CD 3.28Å; R486-P488 WeakPolarHBondContact O-CD 3.27Å; P488-L490 PolarHBondContact O-N 3.28Å; P488-L490 VanDerWaalsContact O-N 3.15Å; P488-I491 HydrophobicContact CB-CD1 4.2Å; P488-I491 WeakPolarHBondContact O-CB 2.95Å; P488-I491 WeakPolarHBondContact O-CG1 3.41Å; P488-I491 PolarHBondContact O-N 3.33Å
489E90.1Very high85.8Confident4 Ų437.6 Ų37.62%0.01918%0.177CC..THydrogen-bonded Turntrans-59.5-19.4171.661.5-93.4-131.800112.9S77 T80 I81 Q84 V278 L487 I491S77-E489 VanDerWaalsContact CB-OE1 3.23Å; S77-E489 WeakPolarHBondContact CB-OE1 3.41Å; S77-E489 PolarHBondContact OG-OE1 2.91Å; S77-E489 PolarHBondContact OG-OE2 3.45Å; T80-E489 HydrophobicContact CG2-CB 3.99Å; I81-E489 HydrophobicContact CG1-CB 4.05Å; Q84-E489 PolarHBondContact NE2-O 3.02Å; V278-E489 HydrophobicContact CG1-CB 4.45Å; V278-E489 HydrophobicContact CG1-CG 4Å; L487-E489 WeakPolarHBondContact CA-OE2 3.13Å; L487-E489 PolarHBondContact O-N 3.4Å; E489-I491 VanDerWaalsContact C-N 3.35Å
490L91.8Very high84.9Confident0 Ų037.6 Ų37.60%017%0.174CC..Hα-helixtrans-79-18.3176.3-61177.6000112.9V278 L432 L439 V483 L487 P488 I493 L494V278-L490 HydrophobicContact CG1-CD2 3.97Å; V278-L490 HydrophobicContact CG2-CD2 3.6Å; L432-L490 HydrophobicContact CD1-CD1 3.99Å; L439-L490 HydrophobicContact CD1-CD2 3.99Å; L439-L490 HydrophobicContact CD2-CD2 4.05Å; L439-L490 HydrophobicContact CG-CD2 4.05Å; V483-L490 HydrophobicContact CG1-CD1 4.33Å; L487-L490 HydrophobicContact CB-CD1 3.64Å; L487-L490 HydrophobicContact CB-CG 3.93Å; L487-L490 HydrophobicContact CD1-CD1 3.93Å; L487-L490 HydrophobicContact CG-CD1 4.46Å; L487-L490 VanDerWaalsContact O-CB 3.3Å; L487-L490 WeakPolarHBondContact O-CB 3.15Å; L487-L490 WeakPolarHBondContact O-CG 3.42Å; L487-L490 PolarHBondContact O-N 2.9Å; P488-L490 PolarHBondContact O-N 3.28Å; P488-L490 VanDerWaalsContact O-N 3.15Å; L490-I493 HydrophobicContact CD2-CG2 4.34Å; L490-I493 WeakPolarHBondContact O-CG2 3.43Å; L490-L494 HydrophobicContact CB-CD1 4.08Å; L490-L494 VanDerWaalsContact O-CB 3.28Å; L490-L494 WeakPolarHBondContact O-CB 3.48Å; L490-L494 VanDerWaalsContact O-CG 3.24Å; L490-L494 WeakPolarHBondContact O-CG 3.33Å; L490-L494 PolarHBondContact O-N 2.74Å; L490-L494 VanDerWaalsContact O-N 3.17Å
491I88.3Confident83.5Confident11 Ų1140 Ų406%0.05619%0.192CC..Hα-helixtrans-62.9-52.1-175.7-58.5167.6000111L42 I484 P488 E489 K495 L496 N497 F500L42-I491 HydrophobicContact CD1-CD1 4.4Å; I484-I491 HydrophobicContact CG2-CB 4.45Å; I484-I491 HydrophobicContact CG2-CD1 4.17Å; I484-I491 HydrophobicContact CG2-CG1 3.29Å; P488-I491 HydrophobicContact CB-CD1 4.2Å; P488-I491 WeakPolarHBondContact O-CB 2.95Å; P488-I491 WeakPolarHBondContact O-CG1 3.41Å; P488-I491 PolarHBondContact O-N 3.33Å; E489-I491 VanDerWaalsContact C-N 3.35Å; I491-K495 PolarHBondContact O-N 2.94Å; I491-L496 PolarHBondContact O-N 3.37Å; I491-L496 VanDerWaalsContact O-N 3.14Å; I491-N497 VanDerWaalsContact CG2-OD1 3.24Å; I491-N497 WeakPolarHBondContact CG2-OD1 3.48Å; I491-F500 HydrophobicContact CD1-CD2 3.95Å; I491-F500 HydrophobicContact CD1-CE2 3.98Å; I491-F500 HydrophobicContact CG1-CD2 4.13Å; I491-F500 HydrophobicContact CG1-CE2 3.85Å; I491-F500 HydrophobicContact CG2-CD2 4.21Å
492P87.1Confident81.6Confident35 Ų3549.1 Ų49.123%0.22723%0.229CC..Hα-helixtrans-72.2-38.7-176.6-19.836.6000112.3F35 Q84 L494 K495F35-P492 HydrophobicContact CE2-CG 4.31Å; F35-P492 HydrophobicContact CZ-CG 4.22Å; Q84-P492 HydrophobicContact CB-CG 4.49Å; Q84-P492 HydrophobicContact CG-CB 4.28Å; Q84-P492 HydrophobicContact CG-CG 4.38Å; P492-L494 PolarHBondContact O-N 3.31Å; P492-K495 PolarHBondContact O-N 3.02Å
493I90.8Very high79.5Confident1 Ų146.3 Ų46.31%0.00523%0.232CC..Hα-helixtrans-65.6-39.5-177.2-160.3173.2000112.3R281 Q282 K285 F427 L439 L490 K495R281-I493 HydrophobicContact CB-CD1 4.11Å; Q282-I493 HydrophobicContact CB-CD1 3.99Å; K285-I493 HydrophobicContact CD-CG1 4.21Å; K285-I493 PolarHBondContact NZ-O 3.48Å; F427-I493 HydrophobicContact CE2-CD1 4.39Å; F427-I493 HydrophobicContact CE2-CG1 4.34Å; L439-I493 HydrophobicContact CD1-CD1 3.73Å; L439-I493 HydrophobicContact CD1-CG2 4.01Å; L490-I493 HydrophobicContact CD2-CG2 4.34Å; L490-I493 WeakPolarHBondContact O-CG2 3.43Å; I493-K495 VanDerWaalsContact C-N 3.35Å
494L89.6Confident77Confident3 Ų349.2 Ų49.22%0.01625%0.247CC..THydrogen-bonded Turntrans-86.7-3.8179.7-58-177.9000113.2C424 F427 L432 L439 L490 P492 L496C424-L494 HydrophobicContact CB-CD2 4.02Å; F427-L494 HydrophobicContact CB-CD2 4.42Å; F427-L494 HydrophobicContact CD2-CD2 3.53Å; F427-L494 HydrophobicContact CE2-CD2 4.25Å; F427-L494 HydrophobicContact CG-CD2 4.33Å; L432-L494 HydrophobicContact CD1-CD1 4.03Å; L432-L494 HydrophobicContact CD2-CD1 3.81Å; L439-L494 HydrophobicContact CD2-CD2 3.89Å; L490-L494 HydrophobicContact CB-CD1 4.08Å; L490-L494 VanDerWaalsContact O-CB 3.28Å; L490-L494 WeakPolarHBondContact O-CB 3.48Å; L490-L494 VanDerWaalsContact O-CG 3.24Å; L490-L494 WeakPolarHBondContact O-CG 3.33Å; L490-L494 PolarHBondContact O-N 2.74Å; L490-L494 VanDerWaalsContact O-N 3.17Å; P492-L494 PolarHBondContact O-N 3.31Å; L494-L496 HydrophobicContact CB-CB 4.49Å; L494-L496 HydrophobicContact CB-CD1 3.73Å; L494-L496 HydrophobicContact CB-CG 3.7Å; L494-L496 HydrophobicContact CD1-CD1 3.84Å; L494-L496 HydrophobicContact CG-CD1 4.44Å; L494-L496 PolarHBondContact O-N 3.04Å
495K85.5Confident74.1Confident118 Ų11854 Ų5451%0.51328%0.28SS..THydrogen-bonded Turntrans53.132.7-172.9-61.1-167.2-167.9141.10114.5E425 I491 P492 I493 N497E425-K495 VanDerWaalsContact CD-CE 3.44Å; E425-K495 HydrophobicContact CG-CB 4.29Å; E425-K495 HydrophobicContact CG-CD 4.31Å; E425-K495 HydrophobicContact CG-CG 3.99Å; E425-K495 WeakPolarHBondContact OE1-CD 3.38Å; E425-K495 VanDerWaalsContact OE1-CE 3.3Å; E425-K495 WeakPolarHBondContact OE1-CE 3.37Å; E425-K495 IonicContact OE1-NZ 3.48Å; E425-K495 PolarHBondContact OE1-NZ 3.34Å; E425-K495 WeakPolarHBondContact OE2-CE 3.34Å; E425-K495 IonicContact OE2-NZ 2.73Å; E425-K495 PolarHBondContact OE2-NZ 2.94Å; I491-K495 PolarHBondContact O-N 2.94Å; P492-K495 PolarHBondContact O-N 3.02Å; I493-K495 VanDerWaalsContact C-N 3.35Å; K495-N497 PolarHBondContact O-N 3.35Å
496L83.5Confident71.8Confident3 Ų355.1 Ų55.12%0.01629%0.285CS..G310 helixtrans-89.625.7-177.4-62.6178000113.7E423 I480 I484 I491 L494 Y498 L499E423-L496 HydrophobicContact CG-CD2 4.3Å; E423-L496 WeakPolarHBondContact OE1-CD2 3.27Å; I480-L496 HydrophobicContact CG2-CD1 4.45Å; I484-L496 HydrophobicContact CD1-CB 4.37Å; I484-L496 HydrophobicContact CD1-CD1 3.26Å; I484-L496 HydrophobicContact CD1-CG 4.43Å; I484-L496 HydrophobicContact CG1-CD1 4.43Å; I491-L496 PolarHBondContact O-N 3.37Å; I491-L496 VanDerWaalsContact O-N 3.14Å; L494-L496 HydrophobicContact CB-CB 4.49Å; L494-L496 HydrophobicContact CB-CD1 3.73Å; L494-L496 HydrophobicContact CB-CG 3.7Å; L494-L496 HydrophobicContact CD1-CD1 3.84Å; L494-L496 HydrophobicContact CG-CD1 4.44Å; L494-L496 PolarHBondContact O-N 3.04Å; L496-Y498 HydrophobicContact CD2-CE1 3.75Å; L496-Y498 PolarHBondContact O-N 3.25Å; L496-L499 HydrophobicContact CB-CD1 3.98Å; L496-L499 HydrophobicContact CB-CG 4.44Å; L496-L499 HydrophobicContact CD1-CD1 4.33Å; L496-L499 HydrophobicContact CD2-CD1 4.46Å; L496-L499 HydrophobicContact CG-CD1 4.48Å; L496-L499 WeakPolarHBondContact O-CB 3.45Å; L496-L499 PolarHBondContact O-N 3.22Å; L496-L499 VanDerWaalsContact O-N 3.16Å
497N78.4Confident69.2Low72 Ų7253.8 Ų53.839%0.38529%0.288SS..G310 helixtrans-55.3-36.7-178.9-70.9-63.5000112.7I491 K495 L499 F500 S501I491-N497 VanDerWaalsContact CG2-OD1 3.24Å; I491-N497 WeakPolarHBondContact CG2-OD1 3.48Å; K495-N497 PolarHBondContact O-N 3.35Å; N497-L499 PolarHBondContact O-N 3.33Å; N497-L499 VanDerWaalsContact O-N 3.15Å; N497-F500 PolarHBondContact O-N 3.08Å; N497-S501 PolarHBondContact O-N 3.44Å; N497-S501 VanDerWaalsContact O-N 3.15Å; N497-S501 PolarHBondContact O-OG 3.35Å; N497-S501 VanDerWaalsContact O-OG 3.11Å
498Y76.8Confident66.4Low87 Ų8760.8 Ų60.834%0.34133%0.325SS..G310 helixtrans-59.4-27.1-177.974.9-94000113.4E423 K456 L496 F500E423-Y498 WeakPolarHBondContact OE1-CE1 3.26Å; E423-Y498 PolarHBondContact OE1-OH 2.86Å; K456-Y498 PolarHBondContact NZ-OH 3.46Å; L496-Y498 HydrophobicContact CD2-CE1 3.75Å; L496-Y498 PolarHBondContact O-N 3.25Å; Y498-F500 PolarHBondContact O-N 3.4Å
499L67.5Low63.7Low62 Ų6264.4 Ų64.433%0.32535%0.35SS..G310 helixtrans-64.4-23175.8-64.8179.3000112.2I484 L496 N497I484-L499 HydrophobicContact CD1-CD1 4.16Å; L496-L499 HydrophobicContact CB-CD1 3.98Å; L496-L499 HydrophobicContact CB-CG 4.44Å; L496-L499 HydrophobicContact CD1-CD1 4.33Å; L496-L499 HydrophobicContact CD2-CD1 4.46Å; L496-L499 HydrophobicContact CG-CD1 4.48Å; L496-L499 WeakPolarHBondContact O-CB 3.45Å; L496-L499 PolarHBondContact O-N 3.22Å; L496-L499 VanDerWaalsContact O-N 3.16Å; N497-L499 PolarHBondContact O-N 3.33Å; N497-L499 VanDerWaalsContact O-N 3.15Å
500F69.2Low60.9Low17 Ų1769.8 Ų69.88%0.07538%0.375CS..THydrogen-bonded Turntrans-120.20.4-173.6-51.4-72.9000113.9L42 I484 R485 I491 N497 Y498 K502L42-F500 HydrophobicContact CD1-CD1 4.2Å; L42-F500 HydrophobicContact CD1-CG 4.38Å; L42-F500 HydrophobicContact CD2-CD1 3.95Å; I484-F500 HydrophobicContact CB-CE2 4.35Å; I484-F500 HydrophobicContact CB-CZ 4.04Å; I484-F500 HydrophobicContact CG2-CE2 3.51Å; I484-F500 HydrophobicContact CG2-CZ 3.61Å; R485-F500 HydrophobicContact CG-CE1 3.67Å; R485-F500 HydrophobicContact CG-CZ 4.24Å; I491-F500 HydrophobicContact CD1-CD2 3.95Å; I491-F500 HydrophobicContact CD1-CE2 3.98Å; I491-F500 HydrophobicContact CG1-CD2 4.13Å; I491-F500 HydrophobicContact CG1-CE2 3.85Å; I491-F500 HydrophobicContact CG2-CD2 4.21Å; N497-F500 PolarHBondContact O-N 3.08Å; Y498-F500 PolarHBondContact O-N 3.4Å; F500-K502 PolarHBondContact O-N 3.17Å
501S58.1Low57.9Low64 Ų6479.5 Ų79.545%0.44842%0.418SS..THydrogen-bonded Turntrans-66.4-17.4-179.1-60.80000114.1N497 G503N497-S501 PolarHBondContact O-N 3.44Å; N497-S501 VanDerWaalsContact O-N 3.15Å; N497-S501 PolarHBondContact O-OG 3.35Å; N497-S501 VanDerWaalsContact O-OG 3.11Å; S501-G503 PolarHBondContact O-N 3.09Å; S501-G503 VanDerWaalsContact O-N 3.08Å
502K47.8Very low55.2Low220 Ų22085.6 Ų85.696%0.95745%0.446SS*.THydrogen-bonded Turntrans-73.28-179.2-76.1-172.3176.5178.80115.5F500F500-K502 PolarHBondContact O-N 3.17Å
503G42.1Very low52.5Low62 Ų6291.5 Ų91.564%0.63947%0.471SS*.THydrogen-bonded Turntrans-124.3-47-175.800000116.8S501S501-G503 PolarHBondContact O-N 3.09Å; S501-G503 VanDerWaalsContact O-N 3.08Å
504I35.8Very low49.7Very low64 Ų6498.7 Ų98.733%0.32851%0.509SS..  trans-156.8110.4-170.6-50.6174.3000108.6K38 Y506K38-I504 PolarHBondContact NZ-O 2.78Å; K38-I504 VanDerWaalsContact NZ-O 3.11Å; I504-Y506 HydrophobicContact CG2-CD2 3.35Å; I504-Y506 HydrophobicContact CG2-CE2 3.43Å; I504-Y506 VanDerWaalsContact CG2-CE2 3.43Å
505S27.4Very low47.1Very low99 Ų99103.5 Ų103.569%0.69254%0.538SS*.  trans-106.2105.9173.8-152.10000108.6
506Y35.9Very low44.8Very low115 Ų115102 Ų10245%0.45154%0.543SS..  trans-111.12.7171.5-86-68.7000113.4I10 I504I10-Y506 HydrophobicContact CG2-CE2 4.4Å; I504-Y506 HydrophobicContact CG2-CD2 3.35Å; I504-Y506 HydrophobicContact CG2-CE2 3.43Å; I504-Y506 VanDerWaalsContact CG2-CE2 3.43Å
507T32.9Very low42.8Very low64 Ų64107 Ų10739%0.39358%0.576SS.*SBendtrans-111.1127.3172.654.60000108.2S509T507-S509 WeakPolarHBondContact CB-OG 3.42Å; T507-S509 PolarHBondContact O-N 3.17Å; T507-S509 PolarHBondContact OG1-OG 3.42Å
508N29Very low41.3Very low175 Ų175113.2 Ų113.294%0.93660%0.599SS**  trans-67.742.3166.3-81.7-22.9000110.4Q510N508-Q510 VanDerWaalsContact C-N 3.27Å; N508-Q510 PolarHBondContact O-N 3.11Å
509S30.8Very low40.1Very low77 Ų77114.3 Ų114.354%0.53862%0.615SS.*  trans-78.689.3177.8-58.40000107.1T507T507-S509 WeakPolarHBondContact CB-OG 3.42Å; T507-S509 PolarHBondContact O-N 3.17Å; T507-S509 PolarHBondContact OG1-OG 3.42Å
510Q30.5Very low39.4Very low116 Ų116119.2 Ų119.254%0.54264%0.641SS.*  trans26.7108.6139.5-64.4179.2-3.700113.4E96 N508 H512E96-Q510 PolarHBondContact OE1-NE2 3.37Å; N508-Q510 VanDerWaalsContact C-N 3.27Å; N508-Q510 PolarHBondContact O-N 3.11Å; Q510-H512 PolarHBondContact O-N 3.06Å; Q510-H512 VanDerWaalsContact O-N 3.09Å
511F28.7Very low39.1Very low204 Ų204123.3 Ų123.390%0.89567%0.671SS**  trans-22.4113.5163.9-76.6-95.3000111.3E513F511-E513 PolarHBondContact O-N 2.69Å
512H32.2Very low39.2Very low140 Ų140124 Ų12465%0.64869%0.689SS**  trans-57.189.7159.2-76.3-76.9000106.9Q510 N514Q510-H512 PolarHBondContact O-N 3.06Å; Q510-H512 VanDerWaalsContact O-N 3.09Å; H512-N514 VanDerWaalsContact C-N 3.33Å; H512-N514 PolarHBondContact O-N 3.39Å
513E29.9Very low39.9Very low159 Ų159119 Ų11974%0.74368%0.676SS**  trans-62.4108.1154.5-79.4-172158.200104.6F511 T515F511-E513 PolarHBondContact O-N 2.69Å; E513-T515 HydrophobicContact CB-CG2 4.27Å; E513-T515 PolarHBondContact O-N 3.33Å
514N32.1Very low40.8Very low152 Ų152124.9 Ų124.981%0.81369%0.687SS**  trans-61.179.5159.3-69.2-27.1000106.3H512 S516H512-N514 VanDerWaalsContact C-N 3.33Å; H512-N514 PolarHBondContact O-N 3.39Å; N514-S516 PolarHBondContact O-N 2.94Å
515T34.9Very low41.8Very low103 Ų103127 Ų12763%0.63270%0.703SS**  trans-69.380.7165.841.50000106E513 P517E513-T515 HydrophobicContact CB-CG2 4.27Å; E513-T515 PolarHBondContact O-N 3.33Å; T515-P517 VanDerWaalsContact O-CD 3.28Å; T515-P517 WeakPolarHBondContact O-CD 3.44Å
516S36.7Very low43.3Very low86 Ų86127.3 Ų127.360%0.60170%0.701SS**  trans-56.6115.3152.156.90000105.2N514 K518N514-S516 PolarHBondContact O-N 2.94Å; S516-K518 PolarHBondContact O-N 3.4Å
517P41.7Very low44.5Very low110 Ų110128.5 Ų128.571%0.71471%0.714SS**  trans-58.7113.1179.722.9-31.1000107.7T515 V519T515-P517 VanDerWaalsContact O-CD 3.28Å; T515-P517 WeakPolarHBondContact O-CD 3.44Å; P517-V519 PolarHBondContact O-N 3.22Å
518K48.2Very low45.7Very low202 Ų202130.6 Ų130.688%0.87872%0.719SS**  trans-76.4107.4170.4-69.6-179.4-179.3174.90105.9S516S516-K518 PolarHBondContact O-N 3.4Å
519V51.6Low47.1Very low109 Ų109127.8 Ų127.866%0.66171%0.711SS**  trans-91.9135.9171.5-178.60000108.2P517 C521P517-V519 PolarHBondContact O-N 3.22Å; V519-C521 PolarHBondContact O-N 2.86Å
520D52.6Low48.6Very low165 Ų165130.8 Ų130.888%0.88272%0.719SS**  trans-73.1118175-154.615000108.7
521C62.4Low50Low103 Ų103134.2 Ų134.270%0.69674%0.735SS**  trans-118.4104.7-177.2-176.90000109.4V519V519-C521 PolarHBondContact O-N 2.86Å
522G60.5Low51.4Low80 Ų80129 Ų12983%0.82572%0.72SS**  trans-89.9105.7173.800000111.2
523V61.8Low53.2Low115 Ų115132.2 Ų132.270%0.69773%0.728SS**  trans-90.5113.4170.4179.90000108.8T525V523-T525 PolarHBondContact O-N 3.2Å
524Q60.7Low55Low184 Ų184130.6 Ų130.686%0.8672%0.723SS**  trans-79.794.3167.4-171.7174.615.500108.4V526Q524-V526 PolarHBondContact O-N 3.36Å; Q524-V526 VanDerWaalsContact O-N 3.11Å
525T57.5Low56.9Low109 Ų109126.6 Ų126.667%0.66970%0.702SS**  trans-60.8116.2172-51.70000108.8V523 L527V523-T525 PolarHBondContact O-N 3.2Å; T525-L527 PolarHBondContact O-N 3.46Å
526V59.8Low58.9Low106 Ų106130.4 Ų130.464%0.64271%0.71SS**  trans-61.1105.8169.6-177.50000107Q524 H528Q524-V526 PolarHBondContact O-N 3.36Å; Q524-V526 VanDerWaalsContact O-N 3.11Å; V526-H528 PolarHBondContact O-N 2.9Å
527L59.8Low60.7Low139 Ų139132.6 Ų132.673%0.72872%0.715SS**SBendtrans-62.7-32.1-168.7-155.875000112.2T525T525-L527 PolarHBondContact O-N 3.46Å
528H57.4Low62.5Low108 Ų108135.4 Ų135.450%0.571%0.712SS.*  trans-143.492.5178.7-58.2-56.4000111.2V526 I530V526-H528 PolarHBondContact O-N 2.9Å; H528-I530 PolarHBondContact O-N 2.82Å
529P59.1Low64Low117 Ų117129.3 Ų129.376%0.7669%0.686SS**SBendtrans-66-13.9175.623.4-31.6000113.7
530I62Low65.2Low140 Ų140134.1 Ų134.172%0.71869%0.693SS**SBendtrans-135.7125.1169.3-55.5174.8000106.8H528 T532H528-I530 PolarHBondContact O-N 2.82Å; I530-T532 PolarHBondContact O-N 2.93Å
531E60.2Low66.8Low188 Ų188129 Ų12988%0.87967%0.665SS**  trans-62.2104.2178.1-67.8-174.7171.100109.9
532T57.5Low67.8Low94 Ų94130.2 Ų130.258%0.57766%0.661SS**  trans-67.8136.1170.644.60000109.1I530 I534I530-T532 PolarHBondContact O-N 2.93Å; T532-I534 WeakPolarHBondContact O-CG1 3.44Å; T532-I534 PolarHBondContact O-N 3.07Å
533Y70.2Confident69Low208 Ų208134.9 Ų134.982%0.81665%0.654SS**  trans-56.397.3172.4179.1-100.3000110.1D535Y533-D535 HydrophobicContact CD1-CB 4.45Å; Y533-D535 HydrophobicContact CE1-CB 3.94Å; Y533-D535 PolarHBondContact O-N 3.31Å
534I68.3Low70.3Confident125 Ų125132.8 Ų132.864%0.64164%0.636SS**  trans-83.198173.8-60.2171.8000106.8T532 K536T532-I534 WeakPolarHBondContact O-CG1 3.44Å; T532-I534 PolarHBondContact O-N 3.07Å; I534-K536 HydrophobicContact CG2-CG 4.4Å; I534-K536 PolarHBondContact O-N 3.28Å
535D72.1Confident71.6Confident68 Ų68128.2 Ų128.236%0.36462%0.617SS.*  trans-68.7100.6163.4-175.6-1.2000108.5Y533 N537 Y538Y533-D535 HydrophobicContact CD1-CB 4.45Å; Y533-D535 HydrophobicContact CE1-CB 3.94Å; Y533-D535 PolarHBondContact O-N 3.31Å; D535-N537 PolarHBondContact O-N 3.04Å; D535-N537 WeakPolarHBondContact OD1-CB 3.27Å; D535-N537 PolarHBondContact OD1-N 3.12Å; D535-Y538 PolarHBondContact O-N 3.32Å
536K76.4Confident73.2Confident183 Ų183129.6 Ų129.680%0.79661%0.61SS**THydrogen-bonded Turntrans-60.1-15.7178.1-64.7-178-179.5177.90113I534I534-K536 HydrophobicContact CG2-CG 4.4Å; I534-K536 PolarHBondContact O-N 3.28Å
537N74.8Confident74.7Confident132 Ų132130.8 Ų130.871%0.70661%0.607SS**THydrogen-bonded Turntrans-94.9-8.6178.3-57.4-46.7000113.3D535 H539D535-N537 PolarHBondContact O-N 3.04Å; D535-N537 WeakPolarHBondContact OD1-CB 3.27Å; D535-N537 PolarHBondContact OD1-N 3.12Å; N537-H539 PolarHBondContact O-N 3.45Å
538Y80.5Confident76Confident169 Ų169126.7 Ų126.766%0.66359%0.586SS**  trans-77.2119.9179.7-178.9-98.6000111D535 W540D535-Y538 PolarHBondContact O-N 3.32Å; Y538-W540 HydrophobicContact CE1-CB 4.12Å
539H78.4Confident77.5Confident73 Ų73124 Ų12434%0.33858%0.582SS.*  trans-126.5118.5171.6-64.5-68.6000109N537 N541 L545N537-H539 PolarHBondContact O-N 3.45Å; H539-N541 VanDerWaalsContact C-N 3.28Å; H539-N541 PolarHBondContact O-N 3.48Å; H539-L545 HydrophobicContact CB-CD2 3.99Å; H539-L545 HydrophobicContact CB-CG 4.18Å
540W78Confident78.9Confident211 Ų211124 Ų12480%0.79958%0.575SS**SBendtrans-71.3-24.4179.778.8-91.8000113Y538Y538-W540 HydrophobicContact CE1-CB 4.12Å
541N85Confident80.2Confident56 Ų56123.7 Ų123.730%0.29957%0.569SS.*  trans-91.9117.1-175.3-176.4-7.9000111.1H539 W543 E544 L545H539-N541 VanDerWaalsContact C-N 3.28Å; H539-N541 PolarHBondContact O-N 3.48Å; N541-W543 PolarHBondContact O-N 2.99Å; N541-W543 VanDerWaalsContact O-N 3.16Å; N541-W543 WeakPolarHBondContact OD1-CB 3.47Å; N541-W543 PolarHBondContact OD1-N 2.83Å; N541-E544 HydrophobicContact CB-CB 4.36Å; N541-E544 PolarHBondContact O-N 3.28Å; N541-E544 VanDerWaalsContact O-N 3.14Å; N541-L545 PolarHBondContact O-N 2.95Å
542E84.1Confident81.5Confident129 Ų129120.1 Ų120.160%0.60356%0.555SS**Hα-helixtrans-55.9-31.1176.5-66.2-169.3169.100113.5L545 R546E542-L545 PolarHBondContact O-N 2.64Å; E542-R546 WeakPolarHBondContact O-CG 3.45Å; E542-R546 PolarHBondContact O-N 3.21Å
543W86Confident82.9Confident178 Ų178119.3 Ų119.367%0.67455%0.55SS*.Hα-helixtrans-72.3-34.4179.8-69.3103.6000113.1N541 R546 K547N541-W543 PolarHBondContact O-N 2.99Å; N541-W543 VanDerWaalsContact O-N 3.16Å; N541-W543 WeakPolarHBondContact OD1-CB 3.47Å; N541-W543 PolarHBondContact OD1-N 2.83Å; W543-R546 PolarHBondContact O-N 3.36Å; W543-K547 WeakPolarHBondContact O-CB 3.39Å; W543-K547 PolarHBondContact O-N 3.02Å
544E88.2Confident83.7Confident71 Ų71113.6 Ų113.633%0.33253%0.533SS..Hα-helixtrans-66.8-40.1173-87.6-68.7143.100110.6N541 R546 K547 N548N541-E544 HydrophobicContact CB-CB 4.36Å; N541-E544 PolarHBondContact O-N 3.28Å; N541-E544 VanDerWaalsContact O-N 3.14Å; E544-R546 PolarHBondContact O-N 3.1Å; E544-K547 PolarHBondContact O-N 3.15Å; E544-K547 IonicContact OE1-NZ 3.84Å; E544-N548 WeakPolarHBondContact O-CB 3.48Å; E544-N548 PolarHBondContact O-N 3.28Å
545L87.8Confident84.4Confident88 Ų88112.1 Ų112.146%0.46153%0.526SS..Hα-helixtrans-59.5-45.2172.5-68.4172.9000111.7H539 N541 E542 N548 A549H539-L545 HydrophobicContact CB-CD2 3.99Å; H539-L545 HydrophobicContact CB-CG 4.18Å; N541-L545 PolarHBondContact O-N 2.95Å; E542-L545 PolarHBondContact O-N 2.64Å; L545-N548 PolarHBondContact O-N 2.83Å; L545-A549 WeakPolarHBondContact O-CB 3.3Å; L545-A549 PolarHBondContact O-N 3.16Å
546R91.2Very high84.7Confident139 Ų139119.9 Ų119.953%0.52555%0.55SS.*Hα-helixtrans-63.5-41.8176.6-71175-173.6-1473.8112.3E542 W543 E544 A549 L550E542-R546 WeakPolarHBondContact O-CG 3.45Å; E542-R546 PolarHBondContact O-N 3.21Å; W543-R546 PolarHBondContact O-N 3.36Å; E544-R546 PolarHBondContact O-N 3.1Å; R546-A549 PolarHBondContact O-N 3.48Å; R546-L550 WeakPolarHBondContact O-CG 3.37Å; R546-L550 PolarHBondContact O-N 2.92Å
547K91.2Very high84.8Confident131 Ų131119.3 Ų119.357%0.5755%0.548SS*.Hα-helixtrans-64.7-42.4177.3-173.9-178.9174.8-170.60111.8W543 E544 L550 K551W543-K547 WeakPolarHBondContact O-CB 3.39Å; W543-K547 PolarHBondContact O-N 3.02Å; E544-K547 PolarHBondContact O-N 3.15Å; E544-K547 IonicContact OE1-NZ 3.84Å; K547-L550 PolarHBondContact O-N 3.21Å; K547-K551 WeakPolarHBondContact O-CB 3.28Å; K547-K551 PolarHBondContact O-N 2.82Å
548N87.3Confident84.8Confident53 Ų53120.1 Ų120.128%0.28355%0.545SS..Hα-helixtrans-65.2-40.8174.5-81.3-22.9000112E544 L545 L550 K551 L552E544-N548 WeakPolarHBondContact O-CB 3.48Å; E544-N548 PolarHBondContact O-N 3.28Å; L545-N548 PolarHBondContact O-N 2.83Å; N548-L550 PolarHBondContact O-N 2.93Å; N548-K551 WeakPolarHBondContact O-CB 3.18Å; N548-K551 PolarHBondContact O-N 3.39Å; N548-L552 WeakPolarHBondContact O-CG 3.49Å; N548-L552 PolarHBondContact O-N 3.46Å
549A88.3Confident83.7Confident52 Ų52116.7 Ų116.743%0.4355%0.552SS.*Hα-helixtrans-60-46173.900000111.9L545 R546 K551 L552 V553L545-A549 WeakPolarHBondContact O-CB 3.3Å; L545-A549 PolarHBondContact O-N 3.16Å; R546-A549 PolarHBondContact O-N 3.48Å; A549-K551 VanDerWaalsContact C-N 3.32Å; A549-K551 PolarHBondContact O-N 3.39Å; A549-L552 PolarHBondContact O-N 2.83Å; A549-V553 WeakPolarHBondContact O-CG2 3.46Å; A549-V553 PolarHBondContact O-N 3.36Å
550L90.2Very high82.9Confident116 Ų116119.9 Ų119.961%0.60758%0.576SS**Hα-helixtrans-61.4-39.6174.9-73.6169.2000112.2R546 K547 N548 V553 N554R546-L550 WeakPolarHBondContact O-CG 3.37Å; R546-L550 PolarHBondContact O-N 2.92Å; K547-L550 PolarHBondContact O-N 3.21Å; N548-L550 PolarHBondContact O-N 2.93Å; L550-V553 PolarHBondContact O-N 3.07Å; L550-N554 WeakPolarHBondContact O-CB 3.31Å; L550-N554 PolarHBondContact O-N 3.02Å
551K89.4Confident81.5Confident134 Ų134114.8 Ų114.858%0.58358%0.58SS**Hα-helixtrans-61.9-44175.4-171.3-179.9178.7-176.40111.6K547 N548 A549 N554 L555K547-K551 WeakPolarHBondContact O-CB 3.28Å; K547-K551 PolarHBondContact O-N 2.82Å; N548-K551 WeakPolarHBondContact O-CB 3.18Å; N548-K551 PolarHBondContact O-N 3.39Å; A549-K551 VanDerWaalsContact C-N 3.32Å; A549-K551 PolarHBondContact O-N 3.39Å; K551-N554 PolarHBondContact O-N 2.76Å; K551-L555 HydrophobicContact CG-CD1 4.4Å; K551-L555 WeakPolarHBondContact O-CG 3.08Å; K551-L555 PolarHBondContact O-N 3.48Å
552L87Confident80Confident112 Ų112116.6 Ų116.659%0.58660%0.596SS**Hα-helixtrans-65.4-41.4176.6-72.1169.8000112.4N548 A549 N554 L555 R556N548-L552 WeakPolarHBondContact O-CG 3.49Å; N548-L552 PolarHBondContact O-N 3.46Å; A549-L552 PolarHBondContact O-N 2.83Å; L552-N554 VanDerWaalsContact C-N 3.33Å; L552-N554 PolarHBondContact O-N 2.98Å; L552-L555 HydrophobicContact CD2-CD1 4.45Å; L552-L555 PolarHBondContact O-N 3.2Å; L552-R556 PolarHBondContact O-N 3.22Å
553V86.5Confident78.5Confident77 Ų77116.8 Ų116.847%0.46761%0.606SS.*Hα-helixtrans-61.7-42.5173.7171.50000111A549 L550 R556 K557A549-V553 WeakPolarHBondContact O-CG2 3.46Å; A549-V553 PolarHBondContact O-N 3.36Å; L550-V553 PolarHBondContact O-N 3.07Å; V553-R556 PolarHBondContact O-N 2.98Å; V553-K557 PolarHBondContact O-N 3.03Å
554N87.6Confident76.8Confident89 Ų89116.2 Ų116.248%0.47661%0.611SS.*Hα-helixtrans-65.5-38.3175.8-80.6-22.1000112.3L550 K551 L552 R556 K557 K558L550-N554 WeakPolarHBondContact O-CB 3.31Å; L550-N554 PolarHBondContact O-N 3.02Å; K551-N554 PolarHBondContact O-N 2.76Å; L552-N554 VanDerWaalsContact C-N 3.33Å; L552-N554 PolarHBondContact O-N 2.98Å; N554-R556 VanDerWaalsContact C-N 3.35Å; N554-K557 PolarHBondContact O-N 3.33Å; N554-K557 VanDerWaalsContact O-N 3.15Å; N554-K558 WeakPolarHBondContact O-CG 3.1Å; N554-K558 PolarHBondContact O-N 3.04Å
555L82.8Confident75.1Confident93 Ų93117.1 Ų117.149%0.48762%0.622SS.*Hα-helixtrans-63.3-38.9174.5-76.5164.5000111.9K551 L552 K557 K558K551-L555 HydrophobicContact CG-CD1 4.4Å; K551-L555 WeakPolarHBondContact O-CG 3.08Å; K551-L555 PolarHBondContact O-N 3.48Å; L552-L555 HydrophobicContact CD2-CD1 4.45Å; L552-L555 PolarHBondContact O-N 3.2Å; L555-K557 PolarHBondContact O-N 3.29Å; L555-K558 PolarHBondContact O-N 3.15Å
556R78.3Confident73.5Confident232 Ų232120.6 Ų120.688%0.87564%0.639SS**Hα-helixtrans-59.2-29173.2-76-175.171-177.82.9113.3L552 V553 N554L552-R556 PolarHBondContact O-N 3.22Å; V553-R556 PolarHBondContact O-N 2.98Å; N554-R556 VanDerWaalsContact C-N 3.35Å
557K77.9Confident71.7Confident171 Ų171121.8 Ų121.874%0.74366%0.655SS**Hα-helixtrans-83-13175.2-66.2-175.1178.3-177.90113.3V553 N554 L555 A559V553-K557 PolarHBondContact O-N 3.03Å; N554-K557 PolarHBondContact O-N 3.33Å; N554-K557 VanDerWaalsContact O-N 3.15Å; L555-K557 PolarHBondContact O-N 3.29Å; K557-A559 PolarHBondContact O-N 3.49Å
558K75.7Confident70.2Confident149 Ų149118.6 Ų118.665%0.64865%0.649SS**  trans-94.184.6179.4-69.6177.4-179.7-169.10109N554 L555 T560N554-K558 WeakPolarHBondContact O-CG 3.1Å; N554-K558 PolarHBondContact O-N 3.04Å; L555-K558 PolarHBondContact O-N 3.15Å; K558-T560 PolarHBondContact O-N 3.24Å
559A57.7Low68.8Low97 Ų97122.4 Ų122.480%0.80267%0.669SS**  trans-68112.8167.600000108.9K557 A561K557-A559 PolarHBondContact O-N 3.49Å; A559-A561 PolarHBondContact O-N 2.9Å
560T59.9Low67.1Low139 Ų139131.6 Ų131.685%0.85369%0.693SS**  trans-68.8108174.722.30000110.2K558K558-T560 PolarHBondContact O-N 3.24Å
561A49.8Very low65.6Low105 Ų105137 Ų13787%0.86871%0.705SS**  trans-97.468.917000000110A559A559-A561 PolarHBondContact O-N 2.9Å
562S53.9Low64.1Low93 Ų93140.9 Ų140.965%0.6572%0.716SS**  trans-171.3121.6167.9-178.60000110.2
563V51.1Low62.5Low134 Ų134143.9 Ų143.981%0.81273%0.733SS**  trans-96.895.5178.7-164.40000106.7T565V563-T565 PolarHBondContact O-N 3.49Å
564Q51.3Low61.3Low166 Ų166146.9 Ų146.978%0.77675%0.746SS**  trans-75.4123.5168.5-80.3-173.83.300109
565T51.5Low59.5Low90 Ų90147.4 Ų147.455%0.55276%0.763SS**  trans-95.1159.1178.5500000111.5V563 L567 S568V563-T565 PolarHBondContact O-N 3.49Å; T565-L567 PolarHBondContact O-N 3.2Å; T565-S568 PolarHBondContact O-N 2.94Å; T565-S568 VanDerWaalsContact O-N 3.16Å; T565-S568 PolarHBondContact O-OG 3.32Å
566I54Low58.2Low160 Ų160148.9 Ų148.982%0.82178%0.776SS**G310 helixtrans-48.1-27.5-175.3-67.9165.8000113.8S568 N569I566-S568 PolarHBondContact O-N 3.27Å; I566-S568 VanDerWaalsContact O-N 3.11Å; I566-N569 PolarHBondContact O-N 3.24Å
567L53.4Low57.2Low165 Ų165145.5 Ų145.586%0.86477%0.77SS**G310 helixtrans-66.2-11.2-178.5-70.7169000115T565T565-L567 PolarHBondContact O-N 3.2Å
568S61.2Low56Low64 Ų64142.9 Ų142.945%0.44877%0.768SS.*G310 helixtrans-96-6.7-17860.80000115.1T565 I566 W570T565-S568 PolarHBondContact O-N 2.94Å; T565-S568 VanDerWaalsContact O-N 3.16Å; T565-S568 PolarHBondContact O-OG 3.32Å; I566-S568 PolarHBondContact O-N 3.27Å; I566-S568 VanDerWaalsContact O-N 3.11Å; S568-W570 PolarHBondContact O-N 3.38Å
569N56.6Low55.4Low132 Ų132145.2 Ų145.271%0.70678%0.775SS**THydrogen-bonded Turntrans-82-8-163.1-141.75.8000115.8I566I566-N569 PolarHBondContact O-N 3.24Å
570W53.2Low55.6Low245 Ų245145.8 Ų145.893%0.92877%0.77SS**THydrogen-bonded Turntrans-127.839.9-173.9-65.6-35.7000114.7S568S568-W570 PolarHBondContact O-N 3.38Å
571R58.3Low55.5Low231 Ų231148.2 Ų148.287%0.87277%0.774SS**SBendtrans-963171.2-80.8-169177.2152.90.4115.2
572R58.1Low56Low215 Ų215152.1 Ų152.181%0.81177%0.771SS**SBendtrans-133.9117.1172.8-73.8-173.3175.3167.4-1.8110.4N574R572-N574 PolarHBondContact O-N 2.92Å; R572-N574 VanDerWaalsContact O-N 3.11Å
573D54.6Low55.9Low175 Ų175157.3 Ų157.394%0.93679%0.785SS**  trans-66.5101.9161.8-79.2-35.7000107.9A575D573-A575 PolarHBondContact O-N 2.94Å
574N60.4Low55.9Low139 Ų139156.5 Ų156.574%0.74378%0.781SS**  trans-81.9107.8165.8-80.1-19.9000107.3R572 T576R572-N574 PolarHBondContact O-N 2.92Å; R572-N574 VanDerWaalsContact O-N 3.11Å; N574-T576 PolarHBondContact O-N 3.39Å; N574-T576 VanDerWaalsContact O-N 3.08Å
575A50.8Low56.3Low100 Ų100154.5 Ų154.583%0.82679%0.785SS**  trans-68.5102.7167.500000108.6D573 Q577D573-A575 PolarHBondContact O-N 2.94Å; A575-Q577 PolarHBondContact O-N 3.44Å
576T54Low56.2Low124 Ų124156.2 Ų156.276%0.76180%0.796SS**  trans-74.2108.4172-50.30000108.2N574 V578N574-T576 PolarHBondContact O-N 3.39Å; N574-T576 VanDerWaalsContact O-N 3.08Å; T576-V578 PolarHBondContact O-N 3.24Å
577Q58.6Low56Low161 Ų161153.1 Ų153.175%0.75279%0.794SS**  trans-68.2116.7167.5-73.5179.1-5.600108.4A575A575-Q577 PolarHBondContact O-N 3.44Å
578V51.9Low55.6Low117 Ų117151.6 Ų151.671%0.70979%0.792SS**  trans-100.6132.9165.4177.20000107.1T576 P580T576-V578 PolarHBondContact O-N 3.24Å; V578-P580 WeakPolarHBondContact O-CD 3.07Å
579Y63Low55.1Low198 Ų198156.1 Ų156.178%0.77680%0.803SS**  trans-9097.7168.6-67.5-89000107.9M581Y579-M581 PolarHBondContact O-N 3.03Å
580P61Low54.5Low109 Ų109158.8 Ų158.871%0.70881%0.812SS**PPolyproline II helixtrans-61.8137.6168.926.4-32.6000108.9V578 K582V578-P580 WeakPolarHBondContact O-CD 3.07Å; P580-K582 PolarHBondContact O-N 2.04Å
581M58.3Low54Low189 Ų189152.1 Ų152.193%0.93179%0.794SS**PPolyproline II helixtrans-63134.8172.6-68.8-165.6-148.400108.8Y579Y579-M581 PolarHBondContact O-N 3.03Å
582K61.7Low53.2Low187 Ų187144.6 Ų144.681%0.81379%0.789SS**PPolyproline II helixtrans-66145.2171.3-72-175.5175.9-1760109.4P580 T584P580-K582 PolarHBondContact O-N 2.04Å; K582-T584 PolarHBondContact O-N 3.36Å; K582-T584 VanDerWaalsContact O-N 3.12Å
583E51.8Low52.5Low202 Ų202142.8 Ų142.894%0.94478%0.783SS**  trans-63.5112.5167.8-70.2-169.2167.100108.8
584T51.1Low52Low117 Ų117140.4 Ų140.472%0.71878%0.775SS**  trans-107.1122.4174.7470000109K582K582-T584 PolarHBondContact O-N 3.36Å; K582-T584 VanDerWaalsContact O-N 3.12Å
585S59.7Low51.1Low125 Ų125141.3 Ų141.387%0.87478%0.775SS**  trans-76.7126.6160.351.70000108.5
586T47.7Very low50.8Low126 Ų126141.8 Ų141.877%0.77377%0.767SS**  trans-96.1111.5177.6-21.50000107.8T588T586-T588 PolarHBondContact O-N 2.95Å
587A51.2Low50.6Low95 Ų95139.8 Ų139.879%0.78576%0.756SS**  trans-67.3119.5156.600000106.5K589A587-K589 PolarHBondContact O-N 3.21Å
588T44.2Very low50.2Low133 Ų133142.7 Ų142.782%0.81676%0.761SS**  trans-55.7110.8174.4-46.50000107.3T586 E590T586-T588 PolarHBondContact O-N 2.95Å; T588-E590 PolarHBondContact O-N 2.93Å
589K51.6Low50.5Low158 Ų158142.3 Ų142.369%0.68776%0.761SS**  trans-61.3109.8171.6-172.6-169.5-175.3-153.80106.8A587 D591A587-K589 PolarHBondContact O-N 3.21Å; K589-D591 WeakPolarHBondContact CD-OD1 3.47Å; K589-D591 WeakPolarHBondContact CE-OD1 3.35Å; K589-D591 IonicContact NZ-OD1 3.8Å; K589-D591 PolarHBondContact NZ-OD1 3.32Å; K589-D591 IonicContact NZ-OD2 3.22Å; K589-D591 PolarHBondContact O-N 3.1Å; K589-D591 VanDerWaalsContact O-N 3.14Å
590E42.4Very low50Low188 Ų188136.6 Ų136.688%0.87975%0.749SS**  trans-70.2104.6157.2-82.1-160.8150.600106.7T588 G592T588-E590 PolarHBondContact O-N 2.93Å; E590-G592 PolarHBondContact O-N 3.14Å
591D43.2Very low49.9Very low105 Ų105135.6 Ų135.656%0.56174%0.741SS**  trans-67.786.8163.7-88.6-34.6000107.9K589 Y593K589-D591 WeakPolarHBondContact CD-OD1 3.47Å; K589-D591 WeakPolarHBondContact CE-OD1 3.35Å; K589-D591 IonicContact NZ-OD1 3.8Å; K589-D591 PolarHBondContact NZ-OD1 3.32Å; K589-D591 IonicContact NZ-OD2 3.22Å; K589-D591 PolarHBondContact O-N 3.1Å; K589-D591 VanDerWaalsContact O-N 3.14Å; D591-Y593 PolarHBondContact O-N 3.01Å
592G40.8Very low50.1Low74 Ų74130.7 Ų130.776%0.76372%0.715SS**  trans-65.984.2159.300000108.3E590 T594E590-G592 PolarHBondContact O-N 3.14Å; G592-T594 PolarHBondContact O-N 3.22Å
593Y44.2Very low49.9Very low176 Ų176126.2 Ų126.269%0.6970%0.699SS**  trans-68.8115.6166.659.3-85.2000107.1D591 Q595D591-Y593 PolarHBondContact O-N 3.01Å; Y593-Q595 VanDerWaalsContact C-N 3.3Å; Y593-Q595 HydrophobicContact CD2-CB 3.85Å; Y593-Q595 HydrophobicContact CD2-CG 4.3Å; Y593-Q595 HydrophobicContact CE2-CB 3.89Å; Y593-Q595 HydrophobicContact CE2-CG 4.13Å; Y593-Q595 PolarHBondContact O-N 2.88Å
594T43.6Very low50Low126 Ų126120.7 Ų120.777%0.77367%0.673SS**  trans-60.4105.1153.829.50000105.5G592 V596G592-T594 PolarHBondContact O-N 3.22Å; T594-V596 WeakPolarHBondContact O-CG2 3.39Å; T594-V596 PolarHBondContact O-N 2.88Å
595Q42.7Very low50.6Low157 Ų157117.1 Ų117.173%0.73466%0.66SS**  trans-66.978.9170.7-158.4178.315.900106.3Y593 P597Y593-Q595 VanDerWaalsContact C-N 3.3Å; Y593-Q595 HydrophobicContact CD2-CB 3.85Å; Y593-Q595 HydrophobicContact CD2-CG 4.3Å; Y593-Q595 HydrophobicContact CE2-CB 3.89Å; Y593-Q595 HydrophobicContact CE2-CG 4.13Å; Y593-Q595 PolarHBondContact O-N 2.88Å; Q595-P597 WeakPolarHBondContact O-CD 3.26Å
596V44.2Very low50.6Low110 Ų110117.4 Ų117.467%0.66765%0.65SS**  trans-58.6111.1172.1-163.10000103.9T594 R598T594-V596 WeakPolarHBondContact O-CG2 3.39Å; T594-V596 PolarHBondContact O-N 2.88Å; V596-R598 PolarHBondContact O-N 2.92Å
597P49.2Very low51Low82 Ų82121.9 Ų121.953%0.53265%0.653SS.*  trans-61.5114.2-177.718.4-22.2000106.1Q595 P599Q595-P597 WeakPolarHBondContact O-CD 3.26Å; P597-P599 WeakPolarHBondContact O-CD 3.16Å
598R51.4Low50.9Low222 Ų222120.9 Ų120.984%0.83865%0.653SS**  trans-72.2109.7174.8-71.8-177.6178.7174.10.3106V596 S600V596-R598 PolarHBondContact O-N 2.92Å; R598-S600 PolarHBondContact O-N 2.71Å; R598-S600 PolarHBondContact O-OG 2.92Å
599P56.3Low51.1Low110 Ų110120.2 Ų120.271%0.71465%0.652SS**  trans-58.9106.5174.324.3-32000107.6P597P597-P599 WeakPolarHBondContact O-CD 3.16Å
600S54.4Low51.3Low77 Ų77115.3 Ų115.354%0.53865%0.646SS.*  trans-98.6109.4-175.8-54.70000107.4R598 F602R598-S600 PolarHBondContact O-N 2.71Å; R598-S600 PolarHBondContact O-OG 2.92Å; S600-F602 PolarHBondContact O-N 2.79Å
601V57.7Low52.2Low88 Ų88109.3 Ų109.353%0.53363%0.629SS.*  trans-84.5111.7171-1770000107.4L631 R633V601-L631 HydrophobicContact CG1-CD1 3.49Å; V601-L631 VanDerWaalsContact CG1-CD1 3.49Å; V601-L631 HydrophobicContact CG1-CD2 4.34Å; V601-L631 HydrophobicContact CG1-CG 4.08Å; V601-R633 HydrophobicContact CG2-CG 4.37Å
602F61.9Low53Low86 Ų86109.5 Ų109.538%0.37763%0.628SS.*EExtended strand (participates in β ladder)trans-120.5140.5172.958.8-90.6000111.4S600 H604 Y632S600-F602 PolarHBondContact O-N 2.79Å; F602-H604 HydrophobicContact CD2-CB 4.43Å; F602-H604 HydrophobicContact CE2-CB 4.49Å; F602-Y632 HydrophobicContact CE2-CD2 4.4Å; F602-Y632 HydrophobicContact CE2-CG 4.41Å; F602-Y632 PolarHBondContact O-N 3.17Å
603I57.4Low53.9Low94 Ų94112.4 Ų112.448%0.48263%0.627SS.*EExtended strand (participates in β ladder)trans-88109174.4-59.8174.8000106.9L606 T629 L631I603-L606 HydrophobicContact CB-CD1 3.94Å; I603-L606 HydrophobicContact CG2-CD1 3.87Å; I603-L606 HydrophobicContact CG2-CG 3.94Å; I603-T629 HydrophobicContact CG2-CG2 3.76Å; I603-L631 HydrophobicContact CG1-CD1 4.16Å
604H55.6Low54.7Low85 Ų85107.5 Ų107.539%0.39462%0.618SS.*EExtended strand (participates in β ladder)trans-86.4139.6175.7-169.484.2000110F602 T630 Y632F602-H604 HydrophobicContact CD2-CB 4.43Å; F602-H604 HydrophobicContact CE2-CB 4.49Å; H604-T630 PolarHBondContact N-O 2.82Å; H604-T630 VanDerWaalsContact N-O 3.16Å; H604-T630 PolarHBondContact O-N 3.48Å; H604-Y632 HydrophobicContact CB-CD2 3.52Å; H604-Y632 HydrophobicContact CB-CE2 3.63Å; H604-Y632 AromaticContact CG-CE2 3.95Å
605G62.9Low55.5Low43 Ų43103.1 Ų103.144%0.44359%0.594SS.*THydrogen-bonded Turntrans105.11.1179.200000116.5
606L59.2Low56.5Low130 Ų13099.7 Ų99.768%0.68159%0.586SS**SBendtrans-73.4-29177.9-77167.5000114I603I603-L606 HydrophobicContact CB-CD1 3.94Å; I603-L606 HydrophobicContact CG2-CD1 3.87Å; I603-L606 HydrophobicContact CG2-CG 3.94Å
607R57.1Low57.3Low220 Ų22096.1 Ų96.183%0.8356%0.563SS**SBendtrans-107.3109.6172.6-62.5-172.7-177.7-159.70.9105.7C609R607-C609 VanDerWaalsContact C-N 3.28Å; R607-C609 PolarHBondContact O-N 3.26Å; R607-C609 PolarHBondContact O-SG 2.95Å
608G49.6Very low58Low75 Ų7592.4 Ų92.477%0.77354%0.54SS*.  trans-57.787.5-178.800000111.5G610G608-G610 PolarHBondContact O-N 2.84Å
609C47.8Very low58.7Low118 Ų11886.7 Ų86.780%0.79753%0.53SS*.  trans-80.678172.6-68.10000107.7R607R607-C609 VanDerWaalsContact C-N 3.28Å; R607-C609 PolarHBondContact O-N 3.26Å; R607-C609 PolarHBondContact O-SG 2.95Å
610G55.9Low59.3Low55 Ų5584.8 Ų84.857%0.56751%0.513SS*.SBendtrans117.5173.6174.200000114.6G608G608-G610 PolarHBondContact O-N 2.84Å
611A60.3Low59.8Low62 Ų6281.9 Ų81.951%0.51249%0.492SS..  trans-63151.4175.600000110.5D613 S614A611-D613 VanDerWaalsContact C-OD1 3.28Å; A611-D613 WeakPolarHBondContact CB-OD1 3.06Å; A611-D613 PolarHBondContact O-N 3.49Å; A611-S614 PolarHBondContact N-OG 3.33Å; A611-S614 PolarHBondContact O-N 3.49Å; A611-S614 PolarHBondContact O-OG 3.37Å
612I59.9Low60.3Low109 Ų10982.7 Ų82.756%0.55950%0.497SS*.G310 helixtrans-51.7-36.8-171.3-74.2168.5000112.3S614 A618 W628I612-S614 VanDerWaalsContact C-N 3.28Å; I612-S614 PolarHBondContact O-N 2.71Å; I612-A618 WeakPolarHBondContact O-CB 3.18Å; I612-W628 HydrophobicContact CB-CH2 4.37Å; I612-W628 HydrophobicContact CD1-CH2 4.29Å; I612-W628 HydrophobicContact CG1-CH2 4.04Å; I612-W628 HydrophobicContact CG1-CZ3 4.31Å; I612-W628 HydrophobicContact CG2-CH2 3.56Å; I612-W628 HydrophobicContact CG2-CZ3 4.05Å
613D61Low60.9Low135 Ų13583.3 Ų83.372%0.72250%0.504SS*.G310 helixtrans-66.7-19.6177.855.8-35.2000114.9A611A611-D613 VanDerWaalsContact C-OD1 3.28Å; A611-D613 WeakPolarHBondContact CB-OD1 3.06Å; A611-D613 PolarHBondContact O-N 3.49Å
614S61.4Low61.3Low74 Ų7486.5 Ų86.552%0.51752%0.523SS..G310 helixtrans-96.6-4-179.359.20000114.8A611 I612A611-S614 PolarHBondContact N-OG 3.33Å; A611-S614 PolarHBondContact O-N 3.49Å; A611-S614 PolarHBondContact O-OG 3.37Å; I612-S614 VanDerWaalsContact C-N 3.28Å; I612-S614 PolarHBondContact O-N 2.71Å
615A60.1Low62Low33 Ų3389.4 Ų89.427%0.27354%0.536SS..SBendtrans-72138.9176.500000110.9N617 A618A615-N617 PolarHBondContact O-N 3.15Å; A615-A618 HydrophobicContact CB-CB 4.16Å; A615-A618 VanDerWaalsContact O-CB 3.23Å; A615-A618 WeakPolarHBondContact O-CB 3.32Å; A615-A618 PolarHBondContact O-N 3.48Å
616P62.3Low62Low85 Ų8589.2 Ų89.255%0.55253%0.53SS*.THydrogen-bonded Turntrans-58.8-19.6-172.917.3-29.3000115
617N62Low62.4Low35 Ų3589 Ų8919%0.18753%0.53CS..THydrogen-bonded Turntrans-1114.2175.6-898.6000114.8A615 T619 N620 V621 N627 T630A615-N617 PolarHBondContact O-N 3.15Å; N617-T619 VanDerWaalsContact C-N 3.35Å; N617-T619 PolarHBondContact O-N 3.3Å; N617-N620 PolarHBondContact O-N 2.89Å; N617-V621 HydrophobicContact CB-CG2 4.23Å; N617-V621 WeakPolarHBondContact O-CG2 3.23Å; N617-V621 PolarHBondContact O-N 3.49Å; N617-V621 VanDerWaalsContact O-N 3.07Å; N617-N627 PolarHBondContact ND2-O 3.01Å; N617-N627 VanDerWaalsContact ND2-O 3.15Å; N617-T630 VanDerWaalsContact CG-OG1 3.24Å; N617-T630 PolarHBondContact ND2-OG1 3.15Å; N617-T630 PolarHBondContact OD1-OG1 3.31Å
618A63.5Low62.6Low5 Ų585.5 Ų85.54%0.04152%0.517CS..Hα-helixtrans-53-49.2-171.300000113.4I612 A615 N620 V621 V622I612-A618 WeakPolarHBondContact O-CB 3.18Å; A615-A618 HydrophobicContact CB-CB 4.16Å; A615-A618 VanDerWaalsContact O-CB 3.23Å; A615-A618 WeakPolarHBondContact O-CB 3.32Å; A615-A618 PolarHBondContact O-N 3.48Å; A618-N620 VanDerWaalsContact C-N 3.34Å; A618-N620 PolarHBondContact O-N 3.02Å; A618-V621 PolarHBondContact O-N 3.5Å; A618-V622 VanDerWaalsContact O-CG2 3.28Å; A618-V622 WeakPolarHBondContact O-CG2 3.47Å; A618-V622 PolarHBondContact O-N 3.43Å
619T66.3Low63Low102 Ų10284.8 Ų84.863%0.62650%0.498SS*.Hα-helixtrans-64.6-39.4-175-27.40000111.8N617 N623N617-T619 VanDerWaalsContact C-N 3.35Å; N617-T619 PolarHBondContact O-N 3.3Å; T619-N623 VanDerWaalsContact O-CG 3.28Å; T619-N623 PolarHBondContact O-N 3.2Å; T619-N623 PolarHBondContact O-ND2 3.35Å
620N68.3Low63.5Low70 Ų7080.8 Ų80.837%0.37447%0.469SS..Hα-helixtrans-73-33.9179.9-66.4-17.6000111.8N617 A618 N623 N624 Q625 A626N617-N620 PolarHBondContact O-N 2.89Å; A618-N620 VanDerWaalsContact C-N 3.34Å; A618-N620 PolarHBondContact O-N 3.02Å; N620-N623 CarbonylContact O-C 3.52Å; N620-N623 PolarHBondContact O-N 3.47Å; N620-N624 PolarHBondContact O-N 3.27Å; N620-Q625 HydrophobicContact CB-CB 4.43Å; N620-Q625 PolarHBondContact O-N 3.49Å; N620-A626 HydrophobicContact CB-CB 3.78Å; N620-A626 PolarHBondContact O-N 2.93Å
621V65.5Low63.5Low15 Ų1582.6 Ų82.69%0.09147%0.465CS..Hα-helixtrans-70.4-43.6177.1173.70000111.4N617 A618 N623 N624 A626 N627 W628N617-V621 HydrophobicContact CB-CG2 4.23Å; N617-V621 WeakPolarHBondContact O-CG2 3.23Å; N617-V621 PolarHBondContact O-N 3.49Å; N617-V621 VanDerWaalsContact O-N 3.07Å; A618-V621 PolarHBondContact O-N 3.5Å; V621-N623 PolarHBondContact O-N 3.16Å; V621-N624 PolarHBondContact O-N 3.48Å; V621-A626 WeakPolarHBondContact CG2-O 2.89Å; V621-N627 VanDerWaalsContact CG2-C 3.43Å; V621-N627 WeakPolarHBondContact CG2-O 3.28Å; V621-W628 VanDerWaalsContact CG1-CD1 3.41Å; V621-W628 HydrophobicContact CG1-CD2 3.9Å; V621-W628 HydrophobicContact CG1-CG 3.85Å; V621-W628 HydrophobicContact CG1-CZ2 4.14Å; V621-W628 HydrophobicContact CG2-CG 4.34Å
622V68.4Low63.4Low106 Ų10684.1 Ų84.164%0.64246%0.459SS*.Hα-helixtrans-59.3-31.1174173.40000111.1A618A618-V622 VanDerWaalsContact O-CG2 3.28Å; A618-V622 WeakPolarHBondContact O-CG2 3.47Å; A618-V622 PolarHBondContact O-N 3.43Å
623N73.4Confident62.9Low99 Ų9985.8 Ų85.853%0.52946%0.458SS..THydrogen-bonded Turntrans-88.27.9176-66.7-22.4000114.5T619 N620 V621 Q625T619-N623 VanDerWaalsContact O-CG 3.28Å; T619-N623 PolarHBondContact O-N 3.2Å; T619-N623 PolarHBondContact O-ND2 3.35Å; N620-N623 CarbonylContact O-C 3.52Å; N620-N623 PolarHBondContact O-N 3.47Å; V621-N623 PolarHBondContact O-N 3.16Å; N623-Q625 HydrophobicContact CB-CG 4.3Å; N623-Q625 PolarHBondContact O-N 3.17Å
624N66.3Low62.4Low161 Ų16187 Ų8786%0.86146%0.46SS*.THydrogen-bonded Turntrans58.224.8-176.1-89.3-8.1000115.4N620 V621N620-N624 PolarHBondContact O-N 3.27Å; V621-N624 PolarHBondContact O-N 3.48Å
625Q70.4Confident61.8Low146 Ų14687.8 Ų87.868%0.68246%0.461SS*.SBendtrans-98.7-15.3-177.8-68.6178.4-18.900114N620 N623N620-Q625 HydrophobicContact CB-CB 4.43Å; N620-Q625 PolarHBondContact O-N 3.49Å; N623-Q625 HydrophobicContact CB-CG 4.3Å; N623-Q625 PolarHBondContact O-N 3.17Å
626A63.6Low61Low38 Ų3890.1 Ų90.131%0.31447%0.472SS..SBendtrans-153.2167.7-177.600000113N620 V621N620-A626 HydrophobicContact CB-CB 3.78Å; N620-A626 PolarHBondContact O-N 2.93Å; V621-A626 WeakPolarHBondContact CG2-O 2.89Å
627N66.6Low60.4Low127 Ų12791.3 Ų91.368%0.67949%0.489SS*.  trans-84.7151.6172.9-75.4-28.8000112N617 V621 T629N617-N627 PolarHBondContact ND2-O 3.01Å; N617-N627 VanDerWaalsContact ND2-O 3.15Å; V621-N627 VanDerWaalsContact CG2-C 3.43Å; V621-N627 WeakPolarHBondContact CG2-O 3.28Å; N627-T629 PolarHBondContact O-N 3.16Å
628W61.2Low59.5Low146 Ų14695.9 Ų95.955%0.55352%0.518SS*.SBendtrans-56.3-28.4177.2-80.489.8000113.8I612 V621I612-W628 HydrophobicContact CB-CH2 4.37Å; I612-W628 HydrophobicContact CD1-CH2 4.29Å; I612-W628 HydrophobicContact CG1-CH2 4.04Å; I612-W628 HydrophobicContact CG1-CZ3 4.31Å; I612-W628 HydrophobicContact CG2-CH2 3.56Å; I612-W628 HydrophobicContact CG2-CZ3 4.05Å; V621-W628 VanDerWaalsContact CG1-CD1 3.41Å; V621-W628 HydrophobicContact CG1-CD2 3.9Å; V621-W628 HydrophobicContact CG1-CG 3.85Å; V621-W628 HydrophobicContact CG1-CZ2 4.14Å; V621-W628 HydrophobicContact CG2-CG 4.34Å
629T58.6Low58.8Low60 Ų60100 Ų10037%0.36854%0.543SS..  trans-103.4137.8-179.551.40000110.7I603 N627I603-T629 HydrophobicContact CG2-CG2 3.76Å; N627-T629 PolarHBondContact O-N 3.16Å
630T58.9Low57.9Low33 Ų33101.1 Ų101.120%0.20254%0.544CS..EExtended strand (participates in β ladder)trans-108.8130.2171-52.10000108.7H604 N617 Y632H604-T630 PolarHBondContact N-O 2.82Å; H604-T630 VanDerWaalsContact N-O 3.16Å; H604-T630 PolarHBondContact O-N 3.48Å; N617-T630 VanDerWaalsContact CG-OG1 3.24Å; N617-T630 PolarHBondContact ND2-OG1 3.15Å; N617-T630 PolarHBondContact OD1-OG1 3.31Å; T630-Y632 HydrophobicContact CG2-CD2 4.09Å; T630-Y632 HydrophobicContact CG2-CE1 4.41Å; T630-Y632 HydrophobicContact CG2-CE2 3.69Å; T630-Y632 PolarHBondContact O-N 3.29Å
631L56.2Low57Low93 Ų93101 Ų10149%0.48754%0.544SS..EExtended strand (participates in β ladder)trans-83.1110.8171.2-166.278.2000108.1V601 I603 R633V601-L631 HydrophobicContact CG1-CD1 3.49Å; V601-L631 VanDerWaalsContact CG1-CD1 3.49Å; V601-L631 HydrophobicContact CG1-CD2 4.34Å; V601-L631 HydrophobicContact CG1-CG 4.08Å; I603-L631 HydrophobicContact CG1-CD1 4.16Å; L631-R633 HydrophobicContact CD2-CG 4.43Å
632Y57.1Low56.4Low95 Ų95107.8 Ų107.837%0.37358%0.578SS.*EExtended strand (participates in β ladder)trans-93.3130.4171-70.3-89.3000109F602 H604 T630F602-Y632 HydrophobicContact CE2-CD2 4.4Å; F602-Y632 HydrophobicContact CE2-CG 4.41Å; F602-Y632 PolarHBondContact O-N 3.17Å; H604-Y632 HydrophobicContact CB-CD2 3.52Å; H604-Y632 HydrophobicContact CB-CE2 3.63Å; H604-Y632 AromaticContact CG-CE2 3.95Å; T630-Y632 HydrophobicContact CG2-CD2 4.09Å; T630-Y632 HydrophobicContact CG2-CE1 4.41Å; T630-Y632 HydrophobicContact CG2-CE2 3.69Å; T630-Y632 PolarHBondContact O-N 3.29Å
633R50.4Low55.4Low143 Ų143108.4 Ų108.454%0.5458%0.583SS.*  trans-124.592.9169.9-68.9-172.6-179.6-176.30.8107.6V601 L631 T635V601-R633 HydrophobicContact CG2-CG 4.37Å; L631-R633 HydrophobicContact CD2-CG 4.43Å; R633-T635 PolarHBondContact O-N 3.07Å
634E50.1Low54.2Low162 Ų162105.2 Ų105.276%0.75757%0.565SS**  trans-68.2117.8171.6-73.7-175.2171.700108.8
635T48.7Very low53.3Low90 Ų90101.4 Ų101.455%0.55255%0.549SS*.  trans-116.6127.8168.351.40000107.3R633R633-T635 PolarHBondContact O-N 3.07Å
636T43.6Very low52.5Low81 Ų8199.4 Ų99.450%0.49755%0.546SS..  trans-72.5133.9169.343.80000108.1T638 T639T636-T638 PolarHBondContact O-N 3.26Å; T636-T639 PolarHBondContact O-N 3.36Å; T636-T639 VanDerWaalsContact O-N 3.1Å
637A49.2Very low51.6Low110 Ų110106.3 Ų106.391%0.90957%0.572SS**THydrogen-bonded Turntrans-54.3-10.7-170.400000115.7
638T43.8Very low50.6Low132 Ų132107 Ų10781%0.8157%0.571SS**THydrogen-bonded Turntrans-88.70.1-179.940.50000114.7T636T636-T638 PolarHBondContact O-N 3.26Å
639T47.8Very low50Low91 Ų91102.7 Ų102.756%0.55856%0.557SS**  trans-128.9115.4-175.9-35.70000112.4T636T636-T639 PolarHBondContact O-N 3.36Å; T636-T639 VanDerWaalsContact O-N 3.1Å
640I47.3Very low49Very low125 Ų125106.9 Ų106.964%0.64158%0.577SS**  trans-86.1108.2174.2-59.9169.7000108L642I640-L642 HydrophobicContact CG2-CD2 3.99Å; I640-L642 PolarHBondContact O-N 2.98Å
641D49.5Very low47.9Very low69 Ų69113.2 Ų113.237%0.36961%0.609SS.*  trans-81.4108168.6-171.7-15.4000109.5T643 I644 Q649D641-T643 VanDerWaalsContact CG-OG1 3.32Å; D641-T643 PolarHBondContact O-N 3.15Å; D641-T643 WeakPolarHBondContact OD1-CB 2.98Å; D641-T643 PolarHBondContact OD1-N 2.8Å; D641-T643 PolarHBondContact OD1-OG1 3.27Å; D641-T643 PolarHBondContact OD2-OG1 3.02Å; D641-I644 HydrophobicContact CB-CD1 4.04Å; D641-I644 HydrophobicContact CB-CG1 4.32Å; D641-I644 PolarHBondContact O-N 2.88Å; D641-Q649 PolarHBondContact O-NE2 3.23Å
642L52.9Low46.9Very low156 Ų156111.8 Ų111.882%0.81762%0.617SS**THydrogen-bonded Turntrans-69.7-6.9-177.3-64.5173.2000113.8I640 I644I640-L642 HydrophobicContact CG2-CD2 3.99Å; I640-L642 PolarHBondContact O-N 2.98Å; L642-I644 VanDerWaalsContact C-N 3.25Å; L642-I644 PolarHBondContact O-N 3.24Å
643T48.4Very low45.7Very low120 Ų120114.5 Ų114.574%0.73664%0.638SS**THydrogen-bonded Turntrans-83.4-0.7176.3650000113.4D641D641-T643 VanDerWaalsContact CG-OG1 3.32Å; D641-T643 PolarHBondContact O-N 3.15Å; D641-T643 WeakPolarHBondContact OD1-CB 2.98Å; D641-T643 PolarHBondContact OD1-N 2.8Å; D641-T643 PolarHBondContact OD1-OG1 3.27Å; D641-T643 PolarHBondContact OD2-OG1 3.02Å
644I47.8Very low45.1Very low32 Ų32115.9 Ų115.916%0.16466%0.655CS.*SBendtrans-114.7139.3-176.2-49.4178.5000110.3D641 L642 V646 Q648 Q649D641-I644 HydrophobicContact CB-CD1 4.04Å; D641-I644 HydrophobicContact CB-CG1 4.32Å; D641-I644 PolarHBondContact O-N 2.88Å; L642-I644 VanDerWaalsContact C-N 3.25Å; L642-I644 PolarHBondContact O-N 3.24Å; I644-V646 PolarHBondContact O-N 2.94Å; I644-Q648 HydrophobicContact CG2-CB 3.87Å; I644-Q649 PolarHBondContact O-NE2 3.19Å
645P47.7Very low44.1Very low81 Ų81116.2 Ų116.253%0.52666%0.656SS.*  trans-58.3133.6169.1-21.332.4000111.5E647 Q648P645-E647 PolarHBondContact O-N 3.46Å; P645-Q648 PolarHBondContact O-N 2.74Å
646V52.5Low43.4Very low103 Ų103121.1 Ų121.162%0.62467%0.67SS**G310 helixtrans-48.9-33.3-174.1171.40000113.5I644 Q648 Q649I644-V646 PolarHBondContact O-N 2.94Å; V646-Q648 PolarHBondContact O-N 2.91Å; V646-Q648 VanDerWaalsContact O-N 3.16Å; V646-Q649 PolarHBondContact O-N 3.41Å; V646-Q649 VanDerWaalsContact O-N 3.15Å
647E45.4Very low42.9Very low183 Ų183123.5 Ų123.586%0.85568%0.684SS**G310 helixtrans-59.4-26.9-179.1-53.9177.1-143.400113.6P645P645-E647 PolarHBondContact O-N 3.46Å
648Q45Very low42Very low141 Ų141124.1 Ų124.166%0.65968%0.677SS**G310 helixtrans-97.1-4.1-178.3-63.7-176.5-2.400113.7I644 P645 V646 L650I644-Q648 HydrophobicContact CG2-CB 3.87Å; P645-Q648 PolarHBondContact O-N 2.74Å; V646-Q648 PolarHBondContact O-N 2.91Å; V646-Q648 VanDerWaalsContact O-N 3.16Å; Q648-L650 VanDerWaalsContact C-N 3.35Å; Q648-L650 PolarHBondContact O-N 3.24Å
649Q49.4Very low41.7Very low56 Ų56124.3 Ų124.326%0.26267%0.671SS.*SBendtrans-79.4-14.2-174.2-68.6177.4-17.400113.6D641 I644 V646D641-Q649 PolarHBondContact O-NE2 3.23Å; I644-Q649 PolarHBondContact O-NE2 3.19Å; V646-Q649 PolarHBondContact O-N 3.41Å; V646-Q649 VanDerWaalsContact O-N 3.15Å
650L37.3Very low40.9Very low149 Ų149126.3 Ų126.378%0.7868%0.679SS**  trans-117.843.8-164.7-68.8169.9000114.8Q648Q648-L650 VanDerWaalsContact C-N 3.35Å; Q648-L650 PolarHBondContact O-N 3.24Å
651L35.5Very low40.1Very low165 Ų165128.5 Ų128.586%0.86469%0.686SS**  trans-108.631.9171.5-73.6168.8000113.2N653L651-N653 PolarHBondContact O-N 3.27Å
652G35.3Very low39.1Very low64 Ų64131.7 Ų131.766%0.6670%0.703SS**  trans-79.2113.8169.300000111.1L654G652-L654 PolarHBondContact O-N 2.98Å
653N32.7Very low38.5Very low152 Ų152135.7 Ų135.781%0.81372%0.723SS**  trans-56.4121.1176.5-115.4-21000110.9L651 Q655L651-N653 PolarHBondContact O-N 3.27Å; N653-Q655 PolarHBondContact O-N 2.98Å; N653-Q655 VanDerWaalsContact O-N 3.16Å
654L36.3Very low38Very low172 Ų172136.5 Ų136.590%0.90172%0.722SS**  trans-74.35.6-178.4-78.8166.1000114.6G652 K656G652-L654 PolarHBondContact O-N 2.98Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 2.66Å
655Q30.8Very low37.5Very low169 Ų169142 Ų14279%0.7975%0.752SS**  trans-78.487.9176.8-73.6-176.1-14.900109.4N653 V657N653-Q655 PolarHBondContact O-N 2.98Å; N653-Q655 VanDerWaalsContact O-N 3.16Å; Q655-V657 PolarHBondContact O-N 3.2Å; Q655-V657 VanDerWaalsContact O-N 3.17Å
656K34.2Very low37Very low192 Ų192145.4 Ų145.484%0.83576%0.764SS**  trans-44.4122.1157.5-79.6-178.6174.4-179.70107.4L654 T658L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 2.66Å; K656-T658 PolarHBondContact O-N 2.85Å
657V31.7Very low36.1Very low132 Ų132147.9 Ų147.980%0.877%0.772SS**  trans-48.4105172.2176.10000108Q655 I659Q655-V657 PolarHBondContact O-N 3.2Å; Q655-V657 VanDerWaalsContact O-N 3.17Å; V657-I659 PolarHBondContact O-N 3.06Å; V657-I659 VanDerWaalsContact O-N 3.15Å
658T30.2Very low35.5Very low122 Ų122145.7 Ų145.775%0.74877%0.767SS**  trans-68.4108167.4-350000105K656 D660K656-T658 PolarHBondContact O-N 2.85Å; T658-D660 PolarHBondContact O-N 3.38Å
659I37Very low34.8Very low136 Ų136146 Ų14670%0.69777%0.774SS**  trans-65107.1171.9-63.2170.2000105.4V657 H661V657-I659 PolarHBondContact O-N 3.06Å; V657-I659 VanDerWaalsContact O-N 3.15Å; I659-H661 PolarHBondContact O-N 3.05Å
660D31.4Very low33.8Very low134 Ų134152.4 Ų152.472%0.71781%0.811SS**  trans-56107.7178.5-81.5-41.3000109.7T658T658-D660 PolarHBondContact O-N 3.38Å
661H30.4Very low33.5Very low170 Ų170152.7 Ų152.779%0.78781%0.813SS**  trans-88.796.7154.9-78.412.5000106.6I659I659-H661 PolarHBondContact O-N 3.05Å
662N29.1Very low33.4Very low137 Ų137151.7 Ų151.773%0.73381%0.809SS**  trans-142.1110.1164.6-91.2-38.9000111
663I41.3Very low33.2Very low240 Ų240159.6 Ų159.6100%1.23182%0.823SS**  trans72.90157.5-48178000116.8

Retrieved 663 of 663 residues in 822.9 ms (Link to these results)

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