A0A3Q0KMH7_SCHMA Loading...

Regulator of telomere elongation helicase 1 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KMH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,094 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.2Low85.8Confident115 Ų11557 Ų5757%0.56733%0.332SS*.  0137.40-72159.89500106.6Q3 P14 V133M1-Q3 PolarHBondContact O-N 3.29Å; M1-P14 HydrophobicContact CE-CB 3.45Å; M1-P14 VanDerWaalsContact CE-CB 3.45Å; M1-P14 HydrophobicContact CE-CG 4.45Å; M1-V133 HydrophobicContact CE-CG2 3.74Å; M1-V133 HydrophobicContact SD-CG2 3.27Å; M1-V133 WeakPolarHBondContact SD-CG2 3.19Å
2P75.8Confident86.4Confident41 Ų4155.4 Ų55.427%0.26632%0.321SS..  trans-61.9131.2176.225.3-33000109.9F13 Y15P2-F13 VanDerWaalsContact CD-O 3.29Å; P2-F13 WeakPolarHBondContact CD-O 3.41Å; P2-F13 PolarHBondContact O-N 2.63Å; P2-Y15 WeakPolarHBondContact CG-O 3.48Å
3Q79.8Confident86.9Confident131 Ų13151.2 Ų51.261%0.61230%0.296SS*.EExtended strand (participates in β ladder)trans-89.4121167.2-78.4-174.7-23.600108.2M1 D12M1-Q3 PolarHBondContact O-N 3.29Å; Q3-D12 WeakPolarHBondContact CG-OD1 3.41Å; Q3-D12 PolarHBondContact NE2-OD1 3.07Å
4I88.6Confident87.1Confident17 Ų1749.1 Ų49.19%0.08729%0.285CS..EExtended strand (participates in β ladder)trans-110.1113.1-178.4-49.7158000107.4I6 I11 F13 P17 F22 M25I4-I6 HydrophobicContact CG2-CD1 3.99Å; I4-I6 HydrophobicContact CG2-CG1 3.77Å; I4-I11 PolarHBondContact N-O 3.48Å; I4-I11 PolarHBondContact O-N 3.34Å; I4-F13 HydrophobicContact CD1-CB 3.48Å; I4-F13 VanDerWaalsContact CD1-CB 3.48Å; I4-F13 HydrophobicContact CD1-CD1 4.35Å; I4-F13 HydrophobicContact CD1-CG 4.1Å; I4-F13 HydrophobicContact CG1-CB 4.49Å; I4-P17 HydrophobicContact CD1-CB 4.1Å; I4-P17 HydrophobicContact CD1-CG 3.51Å; I4-P17 HydrophobicContact CG1-CG 4.23Å; I4-F22 HydrophobicContact CG2-CD2 3.83Å; I4-F22 HydrophobicContact CG2-CE2 3.57Å; I4-M25 HydrophobicContact CD1-CE 3.81Å
5A90.5Very high87.2Confident60 Ų6056.3 Ų56.350%0.49631%0.307SS..EExtended strand (participates in β ladder)trans-83.6116.2173.100000110V9 E10A5-V9 WeakPolarHBondContact CA-O 3.46Å; A5-E10 VanDerWaalsContact CB-OE1 3.29Å; A5-E10 WeakPolarHBondContact CB-OE1 3.48Å
6I91.2Very high87.4Confident6 Ų661.8 Ų61.83%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-129.2122.8174.2-54.5-177.8000108.4I4 G8 V9 I11 F22 M25 T26 L29I4-I6 HydrophobicContact CG2-CD1 3.99Å; I4-I6 HydrophobicContact CG2-CG1 3.77Å; I6-G8 PolarHBondContact O-N 3Å; I6-G8 VanDerWaalsContact O-N 3.09Å; I6-V9 PolarHBondContact N-O 3.2Å; I6-V9 WeakPolarHBondContact O-CB 3.5Å; I6-V9 PolarHBondContact O-N 3.04Å; I6-I11 HydrophobicContact CB-CD1 4.37Å; I6-I11 HydrophobicContact CD1-CD1 3.9Å; I6-I11 HydrophobicContact CG1-CD1 4.22Å; I6-F22 HydrophobicContact CD1-CD2 3.9Å; I6-F22 HydrophobicContact CD1-CE2 3.74Å; I6-F22 HydrophobicContact CD1-CG 4.38Å; I6-F22 HydrophobicContact CD1-CZ 4.07Å; I6-F22 HydrophobicContact CG1-CD2 4.39Å; I6-F22 HydrophobicContact CG1-CE2 3.72Å; I6-F22 HydrophobicContact CG1-CZ 3.9Å; I6-M25 HydrophobicContact CD1-CB 3.89Å; I6-M25 HydrophobicContact CD1-CE 4.48Å; I6-T26 HydrophobicContact CG2-CG2 4.15Å; I6-L29 HydrophobicContact CB-CD1 3.68Å; I6-L29 HydrophobicContact CG2-CD1 3.76Å
7D86.2Confident87.6Confident94 Ų9459.1 Ų59.150%0.50332%0.317SS..THydrogen-bonded Turntrans48.138.9-179.5-63.4-21.5000114.1V9 K62D7-V9 VanDerWaalsContact C-N 3.26Å; D7-V9 PolarHBondContact O-N 2.85Å; D7-K62 PolarHBondContact O-NZ 3.16Å
8G87.2Confident87.8Confident57 Ų5760.6 Ų60.659%0.58832%0.318SS*.THydrogen-bonded Turntrans66.523.6-177.500000114.1I6 K62I6-G8 PolarHBondContact O-N 3Å; I6-G8 VanDerWaalsContact O-N 3.09Å; G8-K62 WeakPolarHBondContact O-CD 3.42Å; G8-K62 WeakPolarHBondContact O-CE 3.44Å; G8-K62 PolarHBondContact O-NZ 2.88Å
9V92Very high87.9Confident2 Ų265.3 Ų65.31%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-108.7120.9167.8-176.80000107.1A5 I6 D7 I11 L29 A58 K62A5-V9 WeakPolarHBondContact CA-O 3.46Å; I6-V9 PolarHBondContact N-O 3.2Å; I6-V9 WeakPolarHBondContact O-CB 3.5Å; I6-V9 PolarHBondContact O-N 3.04Å; D7-V9 VanDerWaalsContact C-N 3.26Å; D7-V9 PolarHBondContact O-N 2.85Å; V9-I11 HydrophobicContact CG1-CG1 4.18Å; V9-L29 HydrophobicContact CB-CD1 3.88Å; V9-L29 HydrophobicContact CB-CD2 4.28Å; V9-L29 HydrophobicContact CG1-CD1 4.34Å; V9-L29 HydrophobicContact CG1-CD2 4.12Å; V9-L29 HydrophobicContact CG2-CD1 4.12Å; V9-L29 HydrophobicContact CG2-CD2 4.05Å; V9-A58 HydrophobicContact CG1-CB 3.59Å; V9-K62 HydrophobicContact CB-CD 4.45Å; V9-K62 HydrophobicContact CG2-CD 3.61Å
10E93.7Very high88.1Confident104 Ų10462.6 Ų62.649%0.48633%0.33SS..EExtended strand (participates in β ladder)trans-83.8113.4174.4-63.7-59147.500109.2A5A5-E10 VanDerWaalsContact CB-OE1 3.29Å; A5-E10 WeakPolarHBondContact CB-OE1 3.48Å
11I94.3Very high88.4Confident0 Ų060.2 Ų60.20%032%0.317CS..EExtended strand (participates in β ladder)trans-103.7114.4-179.4-56.5164.3000109.4I4 I6 V9 F13 M25 L29 C54 A55 A58I4-I11 PolarHBondContact N-O 3.48Å; I4-I11 PolarHBondContact O-N 3.34Å; I6-I11 HydrophobicContact CB-CD1 4.37Å; I6-I11 HydrophobicContact CD1-CD1 3.9Å; I6-I11 HydrophobicContact CG1-CD1 4.22Å; V9-I11 HydrophobicContact CG1-CG1 4.18Å; I11-F13 HydrophobicContact CG2-CB 4.4Å; I11-F13 PolarHBondContact O-N 3.4Å; I11-F13 VanDerWaalsContact O-N 3.12Å; I11-M25 HydrophobicContact CD1-CB 4.25Å; I11-M25 HydrophobicContact CD1-SD 4.14Å; I11-M25 HydrophobicContact CG2-SD 4.18Å; I11-L29 HydrophobicContact CD1-CD1 3.72Å; I11-C54 HydrophobicContact CG2-CB 3.94Å; I11-A55 HydrophobicContact CD1-CB 4.3Å; I11-A58 HydrophobicContact CB-CB 4.26Å; I11-A58 HydrophobicContact CG1-CB 3.74Å; I11-A58 HydrophobicContact CG2-CB 4.42Å
12D93Very high89.8Confident38 Ų3859 Ų5920%0.20331%0.309CS..EExtended strand (participates in β ladder)trans-7592.4166.3-68.8-58.3000110.2Q3 V133 Y134Q3-D12 WeakPolarHBondContact CG-OD1 3.41Å; Q3-D12 PolarHBondContact NE2-OD1 3.07Å; D12-V133 HydrophobicContact CB-CB 4.33Å; D12-V133 HydrophobicContact CB-CG2 4.1Å; D12-Y134 HydrophobicContact CB-CE2 4.37Å; D12-Y134 PolarHBondContact N-OH 3.17Å; D12-Y134 VanDerWaalsContact O-CE2 3.26Å; D12-Y134 WeakPolarHBondContact O-CE2 3.47Å
13F93Very high90.7Very high0 Ų061.2 Ų61.20%032%0.316CS..  trans-97136.6179.4-161-112.4000110.6P2 I4 I11 Y15 P17 M25 L50 C54P2-F13 VanDerWaalsContact CD-O 3.29Å; P2-F13 WeakPolarHBondContact CD-O 3.41Å; P2-F13 PolarHBondContact O-N 2.63Å; I4-F13 HydrophobicContact CD1-CB 3.48Å; I4-F13 VanDerWaalsContact CD1-CB 3.48Å; I4-F13 HydrophobicContact CD1-CD1 4.35Å; I4-F13 HydrophobicContact CD1-CG 4.1Å; I4-F13 HydrophobicContact CG1-CB 4.49Å; I11-F13 HydrophobicContact CG2-CB 4.4Å; I11-F13 PolarHBondContact O-N 3.4Å; I11-F13 VanDerWaalsContact O-N 3.12Å; F13-Y15 VanDerWaalsContact CD1-O 3.22Å; F13-Y15 WeakPolarHBondContact CD1-O 3.25Å; F13-Y15 PolarHBondContact O-N 3.37Å; F13-P17 HydrophobicContact CD1-CB 4.16Å; F13-P17 HydrophobicContact CE1-CB 4.25Å; F13-M25 HydrophobicContact CD2-CE 4.4Å; F13-M25 HydrophobicContact CD2-SD 3.84Å; F13-M25 HydrophobicContact CE2-SD 4.07Å; F13-M25 HydrophobicContact CG-CE 4.49Å; F13-M25 HydrophobicContact CG-SD 4.43Å; F13-L50 HydrophobicContact CE1-CD2 4.5Å; F13-L50 HydrophobicContact CE2-CB 4.43Å; F13-L50 HydrophobicContact CE2-CD2 3.94Å; F13-L50 HydrophobicContact CE2-CG 3.72Å; F13-L50 HydrophobicContact CZ-CD2 3.75Å; F13-L50 HydrophobicContact CZ-CG 4Å; F13-C54 HydrophobicContact CD2-CB 3.87Å; F13-C54 HydrophobicContact CE2-CB 4.33Å
14P89.8Confident91.5Very high22 Ų2255 Ų5514%0.14329%0.287CS..SBendtrans-67.6-17-172.925.4-35.4000115.7M1 L50 T132M1-P14 HydrophobicContact CE-CB 3.45Å; M1-P14 VanDerWaalsContact CE-CB 3.45Å; M1-P14 HydrophobicContact CE-CG 4.45Å; P14-L50 HydrophobicContact CG-CD1 4.03Å; P14-L50 HydrophobicContact CG-CD2 3.48Å; P14-L50 VanDerWaalsContact CG-CD2 3.48Å; P14-L50 HydrophobicContact CG-CG 4.14Å; P14-T132 HydrophobicContact CG-CG2 4.3Å
15Y89Confident91.9Very high157 Ų15754.2 Ų54.262%0.61628%0.283SS*.SBendtrans-133.6170.8-176.5-53.5-71.9000110.1P2 F13 P17 L50P2-Y15 WeakPolarHBondContact CG-O 3.48Å; F13-Y15 VanDerWaalsContact CD1-O 3.22Å; F13-Y15 WeakPolarHBondContact CD1-O 3.25Å; F13-Y15 PolarHBondContact O-N 3.37Å; Y15-P17 WeakPolarHBondContact O-CD 3.45Å; Y15-L50 HydrophobicContact CD2-CD2 4.03Å; Y15-L50 HydrophobicContact CE2-CD2 4.01Å
16Q89.5Confident92.2Very high144 Ų14453 Ų5367%0.67327%0.269SS*.PPolyproline II helixtrans-69.5122163.5-173.363.321.800108.1
17P90.8Very high92.5Very high17 Ų1755.6 Ų55.611%0.1128%0.28CS..PPolyproline II helixtrans-69.2144.5-177.332.3-39.9000110.9I4 F13 Y15 Q21 M25I4-P17 HydrophobicContact CD1-CB 4.1Å; I4-P17 HydrophobicContact CD1-CG 3.51Å; I4-P17 HydrophobicContact CG1-CG 4.23Å; F13-P17 HydrophobicContact CD1-CB 4.16Å; F13-P17 HydrophobicContact CE1-CB 4.25Å; Y15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-Q21 VanDerWaalsContact CA-OE1 3.27Å; P17-Q21 HydrophobicContact CB-CB 4.12Å; P17-M25 HydrophobicContact CB-CE 3.99Å
18Y91Very high93Very high86 Ų8651.1 Ų51.134%0.33726%0.256SS..PPolyproline II helixtrans-72159.5163.1-51.9-60.6000110.5C20 Q21 F22 V549 Y757Y18-C20 VanDerWaalsContact C-N 3.26Å; Y18-C20 PolarHBondContact O-N 3.43Å; Y18-Q21 HydrophobicContact CD2-CG 3.97Å; Y18-Q21 WeakPolarHBondContact O-CA 3.29Å; Y18-Q21 VanDerWaalsContact O-CB 3.32Å; Y18-Q21 WeakPolarHBondContact O-CB 3.39Å; Y18-Q21 PolarHBondContact O-N 2.63Å; Y18-F22 PolarHBondContact O-N 3.37Å; Y18-V549 HydrophobicContact CD1-CG2 3.95Å; Y18-V549 HydrophobicContact CD2-CG2 3.53Å; Y18-V549 HydrophobicContact CE1-CG2 4.09Å; Y18-V549 HydrophobicContact CE2-CG2 3.7Å; Y18-V549 HydrophobicContact CG-CG2 3.68Å; Y18-Y757 VanDerWaalsContact OH-CD1 3.26Å; Y18-Y757 WeakPolarHBondContact OH-CD1 3.38Å
19D91.2Very high93.5Very high150 Ų15048.4 Ų48.480%0.80223%0.228SC*.Hα-helixtrans-54.8-42.4178.6-62.6-22.6000112.2Q21 F22 E23D19-Q21 VanDerWaalsContact C-N 3.29Å; D19-Q21 PolarHBondContact O-N 3.05Å; D19-F22 WeakPolarHBondContact O-CB 3.37Å; D19-F22 PolarHBondContact O-N 3.16Å; D19-E23 PolarHBondContact O-N 3.23Å
20C91.5Very high93.7Very high10 Ų1050.6 Ų50.67%0.06824%0.24CC..Hα-helixtrans-67.2-28.3176.865.70000113.1Y18 Y24 N546 P547Y18-C20 VanDerWaalsContact C-N 3.26Å; Y18-C20 PolarHBondContact O-N 3.43Å; C20-Y24 VanDerWaalsContact O-CB 3.27Å; C20-Y24 WeakPolarHBondContact O-CB 3.41Å; C20-Y24 PolarHBondContact O-N 3.1Å; C20-N546 HydrophobicContact CB-CB 4.29Å; C20-N546 PolarHBondContact O-ND2 3.29Å; C20-P547 HydrophobicContact CB-CG 4.37Å
21Q94Very high93.8Very high14 Ų1445.7 Ų45.77%0.06522%0.217CC..Hα-helixtrans-73.7-40.8174.1-68.1-179.1-35.200111P17 Y18 D19 Y24 M25 T46 C51P17-Q21 VanDerWaalsContact CA-OE1 3.27Å; P17-Q21 HydrophobicContact CB-CB 4.12Å; Y18-Q21 HydrophobicContact CD2-CG 3.97Å; Y18-Q21 WeakPolarHBondContact O-CA 3.29Å; Y18-Q21 VanDerWaalsContact O-CB 3.32Å; Y18-Q21 WeakPolarHBondContact O-CB 3.39Å; Y18-Q21 PolarHBondContact O-N 2.63Å; D19-Q21 VanDerWaalsContact C-N 3.29Å; D19-Q21 PolarHBondContact O-N 3.05Å; Q21-Y24 PolarHBondContact O-N 2.99Å; Q21-M25 WeakPolarHBondContact O-CG 3.48Å; Q21-M25 PolarHBondContact O-N 3.39Å; Q21-T46 WeakPolarHBondContact CG-O 3.33Å; Q21-T46 PolarHBondContact NE2-O 3.02Å; Q21-C51 VanDerWaalsContact CB-SG 3.54Å; Q21-C51 VanDerWaalsContact CG-SG 3.53Å
22F94.3Very high93.8Very high90 Ų9045.7 Ų45.740%0.39522%0.217SC..Hα-helixtrans-60.4-47.6174.8-174.2-85.4000111I4 I6 Y18 D19 Y24 M25 T26I4-F22 HydrophobicContact CG2-CD2 3.83Å; I4-F22 HydrophobicContact CG2-CE2 3.57Å; I6-F22 HydrophobicContact CD1-CD2 3.9Å; I6-F22 HydrophobicContact CD1-CE2 3.74Å; I6-F22 HydrophobicContact CD1-CG 4.38Å; I6-F22 HydrophobicContact CD1-CZ 4.07Å; I6-F22 HydrophobicContact CG1-CD2 4.39Å; I6-F22 HydrophobicContact CG1-CE2 3.72Å; I6-F22 HydrophobicContact CG1-CZ 3.9Å; Y18-F22 PolarHBondContact O-N 3.37Å; D19-F22 WeakPolarHBondContact O-CB 3.37Å; D19-F22 PolarHBondContact O-N 3.16Å; F22-Y24 VanDerWaalsContact C-N 3.35Å; F22-Y24 PolarHBondContact O-N 2.96Å; F22-M25 PolarHBondContact O-N 3.25Å; F22-T26 WeakPolarHBondContact O-CB 3.49Å; F22-T26 PolarHBondContact O-N 3.48Å; F22-T26 PolarHBondContact O-OG1 2.95Å
23E94.6Very high93.8Very high86 Ų8646.7 Ų46.740%0.40222%0.222SC..Hα-helixtrans-62.1-41.6175.5-168.7176.3-179.400112D19 T26 K27 L544D19-E23 PolarHBondContact O-N 3.23Å; E23-T26 WeakPolarHBondContact O-CB 3.27Å; E23-T26 PolarHBondContact O-N 3.24Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 3.49Å; E23-L544 HydrophobicContact CG-CD1 3.71Å; E23-L544 WeakPolarHBondContact OE1-CD1 3.48Å
24Y96.1Very high93.8Very high2 Ų251.1 Ų51.11%0.00824%0.243CC..Hα-helixtrans-59-50.2175.9-166.6-79000112.1C20 Q21 F22 T26 K27 V28 L40 K48 C51 L52 T522 L544C20-Y24 VanDerWaalsContact O-CB 3.27Å; C20-Y24 WeakPolarHBondContact O-CB 3.41Å; C20-Y24 PolarHBondContact O-N 3.1Å; Q21-Y24 PolarHBondContact O-N 2.99Å; F22-Y24 VanDerWaalsContact C-N 3.35Å; F22-Y24 PolarHBondContact O-N 2.96Å; Y24-T26 VanDerWaalsContact C-N 3.28Å; Y24-T26 PolarHBondContact O-N 3.15Å; Y24-K27 PolarHBondContact O-N 3.45Å; Y24-V28 HydrophobicContact CD1-CG2 3.89Å; Y24-V28 HydrophobicContact CE1-CG2 3.66Å; Y24-V28 WeakPolarHBondContact O-CG2 3.37Å; Y24-V28 PolarHBondContact O-N 3.18Å; Y24-L40 HydrophobicContact CE1-CD1 4.27Å; Y24-L40 HydrophobicContact CE2-CB 3.81Å; Y24-L40 HydrophobicContact CE2-CD1 4.33Å; Y24-K48 HydrophobicContact CE2-CG 4.22Å; Y24-C51 HydrophobicContact CD1-CB 3.66Å; Y24-C51 HydrophobicContact CE1-CB 4.24Å; Y24-C51 HydrophobicContact CG-CB 4.38Å; Y24-L52 HydrophobicContact CE1-CB 3.97Å; Y24-L52 HydrophobicContact CE1-CD1 4.3Å; Y24-T522 VanDerWaalsContact OH-CB 3.24Å; Y24-T522 WeakPolarHBondContact OH-CB 3.22Å; Y24-T522 WeakPolarHBondContact OH-CG2 3.45Å; Y24-T522 PolarHBondContact OH-OG1 3.38Å; Y24-L544 HydrophobicContact CD2-CD2 3.66Å; Y24-L544 HydrophobicContact CG-CD2 4.09Å
25M96.8Very high93.9Very high0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-60.7-38.8176.9-70.2-172.8-70.200111.7I4 I6 I11 F13 P17 Q21 F22 K27 V28 L29 C51 A55I4-M25 HydrophobicContact CD1-CE 3.81Å; I6-M25 HydrophobicContact CD1-CB 3.89Å; I6-M25 HydrophobicContact CD1-CE 4.48Å; I11-M25 HydrophobicContact CD1-CB 4.25Å; I11-M25 HydrophobicContact CD1-SD 4.14Å; I11-M25 HydrophobicContact CG2-SD 4.18Å; F13-M25 HydrophobicContact CD2-CE 4.4Å; F13-M25 HydrophobicContact CD2-SD 3.84Å; F13-M25 HydrophobicContact CE2-SD 4.07Å; F13-M25 HydrophobicContact CG-CE 4.49Å; F13-M25 HydrophobicContact CG-SD 4.43Å; P17-M25 HydrophobicContact CB-CE 3.99Å; Q21-M25 WeakPolarHBondContact O-CG 3.48Å; Q21-M25 PolarHBondContact O-N 3.39Å; F22-M25 PolarHBondContact O-N 3.25Å; M25-K27 PolarHBondContact O-N 3.36Å; M25-V28 PolarHBondContact O-N 3.47Å; M25-L29 WeakPolarHBondContact O-CB 3.37Å; M25-L29 WeakPolarHBondContact O-CG 3.29Å; M25-L29 PolarHBondContact O-N 3.01Å; M25-C51 HydrophobicContact CG-CB 3.75Å; M25-A55 HydrophobicContact CB-CB 4.11Å; M25-A55 HydrophobicContact CG-CB 4.08Å
26T96.9Very high94.2Very high34 Ų3447.7 Ų47.721%0.20923%0.234CC..Hα-helixtrans-60.7-46176.6-55.90000111.6I6 F22 E23 Y24 L29 L30I6-T26 HydrophobicContact CG2-CG2 4.15Å; F22-T26 WeakPolarHBondContact O-CB 3.49Å; F22-T26 PolarHBondContact O-N 3.48Å; F22-T26 PolarHBondContact O-OG1 2.95Å; E23-T26 WeakPolarHBondContact O-CB 3.27Å; E23-T26 PolarHBondContact O-N 3.24Å; Y24-T26 VanDerWaalsContact C-N 3.28Å; Y24-T26 PolarHBondContact O-N 3.15Å; T26-L29 PolarHBondContact O-N 2.98Å; T26-L30 WeakPolarHBondContact O-CB 3.29Å; T26-L30 PolarHBondContact O-N 3.36Å
27K97.1Very high94.5Very high60 Ų6042.7 Ų42.726%0.26121%0.211SC..Hα-helixtrans-69.1-35.2178.8-63.5-67.4-178.5-176.60112.8E23 Y24 M25 S31 L40 I542 L544E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 3.49Å; Y24-K27 PolarHBondContact O-N 3.45Å; M25-K27 PolarHBondContact O-N 3.36Å; K27-S31 PolarHBondContact O-N 3.43Å; K27-L40 HydrophobicContact CB-CD2 3.75Å; K27-I542 HydrophobicContact CB-CG2 4.14Å; K27-I542 HydrophobicContact CD-CG2 4.06Å; K27-L544 HydrophobicContact CB-CD2 4.34Å; K27-L544 HydrophobicContact CG-CB 4.16Å; K27-L544 HydrophobicContact CG-CD1 4.16Å; K27-L544 HydrophobicContact CG-CD2 4.14Å; K27-L544 HydrophobicContact CG-CG 4.39Å
28V97.2Very high94.8Very high0 Ų041.9 Ų41.90%021%0.206CC..Hα-helixtrans-61.3-51.1171.7171.90000110.1Y24 M25 L30 S31 L32 L40 L52 A55Y24-V28 HydrophobicContact CD1-CG2 3.89Å; Y24-V28 HydrophobicContact CE1-CG2 3.66Å; Y24-V28 WeakPolarHBondContact O-CG2 3.37Å; Y24-V28 PolarHBondContact O-N 3.18Å; M25-V28 PolarHBondContact O-N 3.47Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3Å; V28-S31 WeakPolarHBondContact O-CB 3.47Å; V28-S31 PolarHBondContact O-N 3.29Å; V28-L32 HydrophobicContact CG1-CD1 3.82Å; V28-L32 HydrophobicContact CG1-CG 4.35Å; V28-L32 WeakPolarHBondContact O-CB 3.39Å; V28-L32 WeakPolarHBondContact O-CG 3.43Å; V28-L32 PolarHBondContact O-N 3.31Å; V28-L40 HydrophobicContact CG2-CD1 3.52Å; V28-L52 HydrophobicContact CG1-CD1 4.12Å; V28-L52 HydrophobicContact CG2-CD1 3.67Å; V28-A55 HydrophobicContact CB-CB 4.23Å; V28-A55 HydrophobicContact CG1-CB 3.92Å
29L96.8Very high95.1Very high0 Ų038 Ų380%019%0.191CC..Hα-helixtrans-62.5-38.5178.6-71.3-178.9000112.6I6 V9 I11 M25 T26 S31 L32 N33 A55 W59I6-L29 HydrophobicContact CB-CD1 3.68Å; I6-L29 HydrophobicContact CG2-CD1 3.76Å; V9-L29 HydrophobicContact CB-CD1 3.88Å; V9-L29 HydrophobicContact CB-CD2 4.28Å; V9-L29 HydrophobicContact CG1-CD1 4.34Å; V9-L29 HydrophobicContact CG1-CD2 4.12Å; V9-L29 HydrophobicContact CG2-CD1 4.12Å; V9-L29 HydrophobicContact CG2-CD2 4.05Å; I11-L29 HydrophobicContact CD1-CD1 3.72Å; M25-L29 WeakPolarHBondContact O-CB 3.37Å; M25-L29 WeakPolarHBondContact O-CG 3.29Å; M25-L29 PolarHBondContact O-N 3.01Å; T26-L29 PolarHBondContact O-N 2.98Å; L29-S31 PolarHBondContact O-N 2.81Å; L29-L32 CarbonylContact O-C 3.57Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-N33 VanDerWaalsContact O-CB 3.28Å; L29-N33 WeakPolarHBondContact O-CB 3.37Å; L29-N33 PolarHBondContact O-N 2.71Å; L29-N33 PolarHBondContact O-ND2 3.21Å; L29-A55 HydrophobicContact CD2-CB 4.21Å; L29-A55 WeakPolarHBondContact CD2-O 3.42Å; L29-A55 HydrophobicContact CG-CB 4.23Å; L29-W59 HydrophobicContact CD2-CB 3.81Å; L29-W59 HydrophobicContact CD2-CG 4.38Å
30L96.2Very high95.3Very high49 Ų4930.8 Ų30.826%0.25715%0.152SC..Hα-helixtrans-59.8-46174.3-177.164.4000111.4T26 V28 L32 N33 E34 I542T26-L30 WeakPolarHBondContact O-CB 3.29Å; T26-L30 PolarHBondContact O-N 3.36Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.35Å; L30-N33 PolarHBondContact O-N 3.37Å; L30-E34 HydrophobicContact CD1-CG 3.97Å; L30-E34 WeakPolarHBondContact O-CB 3.46Å; L30-E34 WeakPolarHBondContact O-CG 3.24Å; L30-E34 PolarHBondContact O-N 2.96Å; L30-I542 HydrophobicContact CB-CD1 4.3Å; L30-I542 HydrophobicContact CD2-CD1 4.13Å; L30-I542 HydrophobicContact CD2-CG1 4.11Å; L30-I542 HydrophobicContact CD2-CG2 4.48Å; L30-I542 HydrophobicContact CG-CD1 3.82Å; L30-I542 HydrophobicContact CG-CG1 4.35Å
31S96Very high95.2Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-62.5-43176.6177.90000112K27 V28 L29 G35 K36 I520K27-S31 PolarHBondContact O-N 3.43Å; V28-S31 WeakPolarHBondContact O-CB 3.47Å; V28-S31 PolarHBondContact O-N 3.29Å; L29-S31 PolarHBondContact O-N 2.81Å; S31-G35 WeakPolarHBondContact O-CA 3.36Å; S31-G35 PolarHBondContact O-N 3.38Å; S31-K36 PolarHBondContact O-N 3.46Å; S31-K36 PolarHBondContact OG-O 3.45Å; S31-I520 WeakPolarHBondContact OG-CG1 3.5Å
32L95Very high95Very high0 Ų030.2 Ų30.20%015%0.149CC..Hα-helixtrans-70.7-32.3176.9-68.1175.9000112.6V28 L29 L30 W59 I112 T253 R517 I520V28-L32 HydrophobicContact CG1-CD1 3.82Å; V28-L32 HydrophobicContact CG1-CG 4.35Å; V28-L32 WeakPolarHBondContact O-CB 3.39Å; V28-L32 WeakPolarHBondContact O-CG 3.43Å; V28-L32 PolarHBondContact O-N 3.31Å; L29-L32 CarbonylContact O-C 3.57Å; L29-L32 PolarHBondContact O-N 3.35Å; L30-L32 VanDerWaalsContact C-N 3.35Å; L30-L32 PolarHBondContact O-N 3.35Å; L32-W59 HydrophobicContact CB-CD2 3.78Å; L32-W59 HydrophobicContact CB-CE3 4.35Å; L32-W59 HydrophobicContact CB-CG 3.88Å; L32-W59 HydrophobicContact CB-CZ2 4.36Å; L32-W59 HydrophobicContact CD1-CB 3.91Å; L32-W59 HydrophobicContact CD1-CD2 4.14Å; L32-W59 HydrophobicContact CD1-CE3 4.31Å; L32-W59 HydrophobicContact CD1-CG 3.96Å; L32-W59 HydrophobicContact CD2-CE3 4.37Å; L32-W59 HydrophobicContact CG-CD2 4.41Å; L32-W59 WeakPolarHBondContact O-CZ2 3.49Å; L32-I112 HydrophobicContact CD2-CD1 4.18Å; L32-T253 HydrophobicContact CD2-CG2 3.73Å; L32-R517 PolarHBondContact O-NH1 3.08Å; L32-R517 PolarHBondContact O-NH2 3.25Å; L32-I520 HydrophobicContact CD2-CD1 4.42Å
33N92.8Very high94.6Very high60 Ų6026 Ų2632%0.32113%0.13SC..Hα-helixtrans-75.7-46.7177.8-75.1-29.2000110.9L29 L30 W59 R517L29-N33 VanDerWaalsContact O-CB 3.28Å; L29-N33 WeakPolarHBondContact O-CB 3.37Å; L29-N33 PolarHBondContact O-N 2.71Å; L29-N33 PolarHBondContact O-ND2 3.21Å; L30-N33 PolarHBondContact O-N 3.37Å; N33-W59 VanDerWaalsContact OD1-CD1 3.23Å; N33-W59 PolarHBondContact OD1-NE1 3.4Å; N33-R517 PolarHBondContact O-NH2 3.3Å
34E92.8Very high93.9Very high93 Ų9323.3 Ų23.344%0.43512%0.12SC..Hα-helixtrans-82.7-13.5-175.6-60-169.6140.800114.1L30 K36L30-E34 HydrophobicContact CD1-CG 3.97Å; L30-E34 WeakPolarHBondContact O-CB 3.46Å; L30-E34 WeakPolarHBondContact O-CG 3.24Å; L30-E34 PolarHBondContact O-N 2.96Å; E34-K36 HydrophobicContact CB-CB 4.36Å; E34-K36 HydrophobicContact CB-CD 4.13Å; E34-K36 HydrophobicContact CB-CG 3.87Å; E34-K36 PolarHBondContact O-N 2.86Å; E34-K36 IonicContact OE1-NZ 2.8Å; E34-K36 PolarHBondContact OE1-NZ 2.83Å; E34-K36 WeakPolarHBondContact OE2-CD 3.5Å; E34-K36 WeakPolarHBondContact OE2-CE 3.28Å; E34-K36 IonicContact OE2-NZ 2.66Å; E34-K36 PolarHBondContact OE2-NZ 3.05Å
35G92.8Very high93Very high20 Ų2024.7 Ų24.721%0.20613%0.134CC..THydrogen-bonded Turntrans64.131.6-173.200000112.2S31S31-G35 WeakPolarHBondContact O-CA 3.36Å; S31-G35 PolarHBondContact O-N 3.38Å
36K94.8Very high92.3Very high86 Ų8624.8 Ų24.837%0.37414%0.135SC..  trans-105.2145.3-179.6-66.5-174.2-161.6150.10111.2S31 E34 P541 I542S31-K36 PolarHBondContact O-N 3.46Å; S31-K36 PolarHBondContact OG-O 3.45Å; E34-K36 HydrophobicContact CB-CB 4.36Å; E34-K36 HydrophobicContact CB-CD 4.13Å; E34-K36 HydrophobicContact CB-CG 3.87Å; E34-K36 PolarHBondContact O-N 2.86Å; E34-K36 IonicContact OE1-NZ 2.8Å; E34-K36 PolarHBondContact OE1-NZ 2.83Å; E34-K36 WeakPolarHBondContact OE2-CD 3.5Å; E34-K36 WeakPolarHBondContact OE2-CE 3.28Å; E34-K36 IonicContact OE2-NZ 2.66Å; E34-K36 PolarHBondContact OE2-NZ 3.05Å; K36-P541 HydrophobicContact CB-CG 3.8Å; K36-P541 HydrophobicContact CD-CB 4.43Å; K36-P541 HydrophobicContact CD-CG 3.92Å; K36-P541 HydrophobicContact CG-CG 4.32Å; K36-I542 HydrophobicContact CB-CD1 4.05Å
37H96.6Very high91.8Very high40 Ų4024.7 Ų24.719%0.18514%0.141CC..  trans-62.2145.5177-47.3-67.2000111.5I519 F540 P541H37-I519 CarbonylContact C-O 3.57Å; H37-I519 WeakPolarHBondContact CA-O 3.28Å; H37-I519 WeakPolarHBondContact CB-O 3.13Å; H37-I519 PolarHBondContact ND1-N 2.83Å; H37-F540 HydrophobicContact CB-CD1 3.65Å; H37-F540 HydrophobicContact CB-CE1 3.9Å; H37-P541 WeakPolarHBondContact O-CD 3.24Å
38A97.1Very high91.5Very high0 Ų022.4 Ų22.40%013%0.131CC..EExtended strand (participates in β ladder)trans-132.6146.6178.500000113L40 I519 I520 L521 F540 I542A38-L40 HydrophobicContact CB-CD2 4.15Å; A38-L40 HydrophobicContact CB-CG 4.26Å; A38-I519 PolarHBondContact N-O 3.47Å; A38-I520 HydrophobicContact CB-CG1 4.29Å; A38-I520 HydrophobicContact CB-CG2 4.35Å; A38-I520 CarbonylContact O-C 3.55Å; A38-I520 WeakPolarHBondContact O-CA 3.36Å; A38-L521 PolarHBondContact O-N 2.79Å; A38-F540 WeakPolarHBondContact O-CD1 3.19Å; A38-I542 CarbonylContact C-O 2.96Å; A38-I542 WeakPolarHBondContact CA-O 3.5Å; A38-I542 HydrophobicContact CB-CB 3.8Å; A38-I542 HydrophobicContact CB-CG2 3.86Å
39I95.9Very high91.3Very high3 Ų324.2 Ų24.22%0.01514%0.142CC..EExtended strand (participates in β ladder)trans-122.8112.8170-170.7159.6000109.2L521 L526 V529 I532 F540 I542 T543 L544I39-L521 WeakPolarHBondContact CA-O 3.23Å; I39-L521 HydrophobicContact CD1-CD1 4.42Å; I39-L521 HydrophobicContact CG1-CB 4.27Å; I39-L526 HydrophobicContact CD1-CD1 4.27Å; I39-L526 HydrophobicContact CG1-CD1 3.82Å; I39-V529 HydrophobicContact CD1-CB 3.82Å; I39-V529 HydrophobicContact CD1-CG1 4Å; I39-V529 HydrophobicContact CG1-CB 4.47Å; I39-V529 HydrophobicContact CG1-CG1 4.25Å; I39-I532 HydrophobicContact CD1-CG2 4.49Å; I39-F540 HydrophobicContact CB-CB 4Å; I39-F540 HydrophobicContact CB-CD1 4.07Å; I39-F540 HydrophobicContact CB-CD2 4.32Å; I39-F540 HydrophobicContact CB-CG 3.87Å; I39-F540 HydrophobicContact CG2-CB 3.6Å; I39-F540 HydrophobicContact CG2-CD2 4.48Å; I39-F540 HydrophobicContact CG2-CG 4.01Å; I39-I542 PolarHBondContact N-O 3.04Å; I39-T543 HydrophobicContact CG2-CG2 3.95Å; I39-T543 WeakPolarHBondContact CG2-OG1 3.46Å; I39-T543 WeakPolarHBondContact O-CA 3.4Å; I39-L544 PolarHBondContact O-N 3.1Å
40L95.2Very high91.1Very high0 Ų025.4 Ų25.40%015%0.148CC..EExtended strand (participates in β ladder)trans-119.199.2-169-51.7179.9000110Y24 K27 V28 A38 I520 L521 T522 S523 I542 L544Y24-L40 HydrophobicContact CE1-CD1 4.27Å; Y24-L40 HydrophobicContact CE2-CB 3.81Å; Y24-L40 HydrophobicContact CE2-CD1 4.33Å; K27-L40 HydrophobicContact CB-CD2 3.75Å; V28-L40 HydrophobicContact CG2-CD1 3.52Å; A38-L40 HydrophobicContact CB-CD2 4.15Å; A38-L40 HydrophobicContact CB-CG 4.26Å; L40-I520 HydrophobicContact CD1-CG2 3.84Å; L40-I520 HydrophobicContact CG-CG2 4.27Å; L40-L521 PolarHBondContact N-O 3.19Å; L40-T522 VanDerWaalsContact O-CA 3.28Å; L40-T522 WeakPolarHBondContact O-CA 3.38Å; L40-T522 WeakPolarHBondContact O-CB 3.39Å; L40-T522 PolarHBondContact O-OG1 3.41Å; L40-S523 PolarHBondContact O-N 2.89Å; L40-I542 HydrophobicContact CD2-CG2 4.48Å; L40-L544 HydrophobicContact CB-CB 4.45Å; L40-L544 HydrophobicContact CD2-CB 3.59Å; L40-L544 HydrophobicContact CD2-CD2 4.34Å
41E91.4Very high91Very high11 Ų1123.1 Ų23.15%0.05114%0.136CC..EExtended strand (participates in β ladder)trans-89.8125.5174.1-169.8-78.6144.800109.6S523 L526 L544 N546E41-S523 WeakPolarHBondContact CA-O 3.3Å; E41-L526 HydrophobicContact CB-CB 4.44Å; E41-L526 HydrophobicContact CG-CB 4.29Å; E41-L544 PolarHBondContact N-O 2.67Å; E41-N546 PolarHBondContact O-N 3.4Å
42S89.2Confident91Very high1 Ų123.2 Ų23.21%0.00714%0.137CC..  trans-148.9132.7173.2178.70000111.5T46 K48 S523 G524 N546S42-T46 PolarHBondContact OG-OG1 3.26Å; S42-K48 WeakPolarHBondContact O-CD 3.42Å; S42-K48 WeakPolarHBondContact O-CE 3.46Å; S42-K48 PolarHBondContact O-NZ 3.5Å; S42-S523 PolarHBondContact N-O 2.89Å; S42-G524 WeakPolarHBondContact O-CA 3.32Å; S42-N546 PolarHBondContact OG-ND2 3.34Å
43P85.1Confident91Very high0 Ų023.2 Ų23.20%014%0.137CC..  trans-55.6161.1-175.8-29.336.1000114.7T46 K48 N546 H548 W782P43-T46 HydrophobicContact CB-CG2 4.23Å; P43-T46 PolarHBondContact O-OG1 3.36Å; P43-K48 VanDerWaalsContact C-NZ 3.26Å; P43-K48 PolarHBondContact O-NZ 3.19Å; P43-N546 VanDerWaalsContact CD-O 3.26Å; P43-N546 WeakPolarHBondContact CD-O 3.45Å; P43-H548 HydrophobicContact CB-CB 4.32Å; P43-H548 VanDerWaalsContact CB-CD2 3.47Å; P43-H548 WeakPolarHBondContact CB-CD2 3.37Å; P43-H548 HydrophobicContact CG-CB 4.19Å; P43-W782 HydrophobicContact CG-CG 4.18Å
44T80.7Confident91.1Very high30 Ų3020.4 Ų20.418%0.18412%0.122CC..THydrogen-bonded Turntrans-59.615217144.30000110.6T46 H548 G751T44-T46 VanDerWaalsContact C-N 3.27Å; T44-T46 PolarHBondContact O-N 3.19Å; T44-H548 PolarHBondContact O-NE2 3.42Å; T44-G751 PolarHBondContact OG1-O 3.34Å
45G77Confident91.2Very high31 Ų3116 Ų1632%0.3210%0.101SC..THydrogen-bonded Turntrans76.7-5.3179.800000117.2G47 R755G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 3.19Å; G45-R755 WeakPolarHBondContact CA-O 3.47Å
46T81.8Confident91.3Very high3 Ų315 Ų152%0.0189%0.091CC..SBendtrans-77.4-6.3175.860.80000114.1Q21 S42 P43 T44 K48 V549Q21-T46 WeakPolarHBondContact CG-O 3.33Å; Q21-T46 PolarHBondContact NE2-O 3.02Å; S42-T46 PolarHBondContact OG-OG1 3.26Å; P43-T46 HydrophobicContact CB-CG2 4.23Å; P43-T46 PolarHBondContact O-OG1 3.36Å; T44-T46 VanDerWaalsContact C-N 3.27Å; T44-T46 PolarHBondContact O-N 3.19Å; T46-K48 WeakPolarHBondContact OG1-CG 3.36Å; T46-V549 HydrophobicContact CG2-CB 4.5Å
47G86.5Confident91.2Very high31 Ų3111 Ų1132%0.327%0.074SC..  trans77.727.2-177.100000114.7G45 T49 L50 C51G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 3.19Å; G47-T49 PolarHBondContact O-N 3.24Å; G47-L50 PolarHBondContact O-N 3.43Å; G47-L50 VanDerWaalsContact O-N 3.12Å; G47-C51 PolarHBondContact O-N 2.99Å; G47-C51 PolarHBondContact O-SG 2.74Å
48K90.8Very high91.1Very high13 Ų139.2 Ų9.26%0.0577%0.066CC..Hα-helixtrans-40.2-57.4177.1-71-172.8-75.2-71.90114.4Y24 S42 P43 T46 L50 C51 L52Y24-K48 HydrophobicContact CE2-CG 4.22Å; S42-K48 WeakPolarHBondContact O-CD 3.42Å; S42-K48 WeakPolarHBondContact O-CE 3.46Å; S42-K48 PolarHBondContact O-NZ 3.5Å; P43-K48 VanDerWaalsContact C-NZ 3.26Å; P43-K48 PolarHBondContact O-NZ 3.19Å; T46-K48 WeakPolarHBondContact OG1-CG 3.36Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.38Å; K48-C51 WeakPolarHBondContact O-CB 3.36Å; K48-C51 PolarHBondContact O-N 3.32Å; K48-C51 VanDerWaalsContact O-N 3.15Å; K48-L52 VanDerWaalsContact O-CB 3.28Å; K48-L52 WeakPolarHBondContact O-CB 3.31Å; K48-L52 PolarHBondContact O-N 3.02Å
49T92.2Very high91Very high37 Ų379.3 Ų9.323%0.2277%0.067CC..Hα-helixtrans-57.6-42.6-175.4-54.20000111.3G47 L53 Y114 A125G47-T49 PolarHBondContact O-N 3.24Å; T49-L53 HydrophobicContact CG2-CD1 3.88Å; T49-L53 WeakPolarHBondContact O-CB 3.4Å; T49-L53 VanDerWaalsContact O-CG 3.23Å; T49-L53 WeakPolarHBondContact O-CG 3.43Å; T49-L53 PolarHBondContact O-N 3.49Å; T49-Y114 WeakPolarHBondContact CG2-OH 3.5Å; T49-A125 HydrophobicContact CG2-CB 3.67Å
50L92.9Very high90.8Very high26 Ų269.8 Ų9.814%0.1367%0.069CC..Hα-helixtrans-68-44.2178.5-174.265.7000111.6F13 P14 Y15 G47 K48 L52 L53 C54 T132F13-L50 HydrophobicContact CE1-CD2 4.5Å; F13-L50 HydrophobicContact CE2-CB 4.43Å; F13-L50 HydrophobicContact CE2-CD2 3.94Å; F13-L50 HydrophobicContact CE2-CG 3.72Å; F13-L50 HydrophobicContact CZ-CD2 3.75Å; F13-L50 HydrophobicContact CZ-CG 4Å; P14-L50 HydrophobicContact CG-CD1 4.03Å; P14-L50 HydrophobicContact CG-CD2 3.48Å; P14-L50 VanDerWaalsContact CG-CD2 3.48Å; P14-L50 HydrophobicContact CG-CG 4.14Å; Y15-L50 HydrophobicContact CD2-CD2 4.03Å; Y15-L50 HydrophobicContact CE2-CD2 4.01Å; G47-L50 PolarHBondContact O-N 3.43Å; G47-L50 VanDerWaalsContact O-N 3.12Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.38Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 3.11Å; L50-L53 PolarHBondContact O-N 3.29Å; L50-C54 VanDerWaalsContact O-CB 3.3Å; L50-C54 WeakPolarHBondContact O-CB 3.49Å; L50-C54 PolarHBondContact O-N 3.23Å; L50-C54 PolarHBondContact O-SG 3.36Å; L50-T132 HydrophobicContact CD1-CG2 3.6Å
51C94.7Very high90.5Very high1 Ų111.1 Ų11.11%0.0078%0.076CC..Hα-helixtrans-59.5-47.4175.9-60.70000111.3Q21 Y24 M25 G47 K48 A55Q21-C51 VanDerWaalsContact CB-SG 3.54Å; Q21-C51 VanDerWaalsContact CG-SG 3.53Å; Y24-C51 HydrophobicContact CD1-CB 3.66Å; Y24-C51 HydrophobicContact CE1-CB 4.24Å; Y24-C51 HydrophobicContact CG-CB 4.38Å; M25-C51 HydrophobicContact CG-CB 3.75Å; G47-C51 PolarHBondContact O-N 2.99Å; G47-C51 PolarHBondContact O-SG 2.74Å; K48-C51 WeakPolarHBondContact O-CB 3.36Å; K48-C51 PolarHBondContact O-N 3.32Å; K48-C51 VanDerWaalsContact O-N 3.15Å; C51-A55 VanDerWaalsContact O-CB 3.23Å; C51-A55 WeakPolarHBondContact O-CB 3.45Å; C51-A55 PolarHBondContact O-N 2.99Å
52L95.2Very high90.4Very high1 Ų113.7 Ų13.71%0.0059%0.087CC..Hα-helixtrans-59.2-49.7179.3-175.561.3000111.4Y24 V28 K48 L50 S56 Y114 I255 T522Y24-L52 HydrophobicContact CE1-CB 3.97Å; Y24-L52 HydrophobicContact CE1-CD1 4.3Å; V28-L52 HydrophobicContact CG1-CD1 4.12Å; V28-L52 HydrophobicContact CG2-CD1 3.67Å; K48-L52 VanDerWaalsContact O-CB 3.28Å; K48-L52 WeakPolarHBondContact O-CB 3.31Å; K48-L52 PolarHBondContact O-N 3.02Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 3.11Å; L52-S56 VanDerWaalsContact O-CB 3.22Å; L52-S56 WeakPolarHBondContact O-CB 3.21Å; L52-S56 PolarHBondContact O-N 3.41Å; L52-S56 PolarHBondContact O-OG 2.95Å; L52-Y114 HydrophobicContact CD2-CD2 4.34Å; L52-Y114 HydrophobicContact CD2-CE2 3.59Å; L52-Y114 HydrophobicContact CG-CE2 4.33Å; L52-I255 HydrophobicContact CD1-CD1 4.09Å; L52-I255 HydrophobicContact CD1-CG2 4.09Å; L52-I255 HydrophobicContact CD2-CG2 3.5Å; L52-I255 HydrophobicContact CG-CD1 4.33Å; L52-I255 HydrophobicContact CG-CG2 4.2Å; L52-T522 HydrophobicContact CD2-CG2 3.91Å
53L94.9Very high90.3Very high1 Ų116.5 Ų16.51%0.00510%0.1CC..Hα-helixtrans-70.1-46.5-177.6-69.3172.9000112.4T49 L50 S56 L57 Y114 A125 L129 L228 F230T49-L53 HydrophobicContact CG2-CD1 3.88Å; T49-L53 WeakPolarHBondContact O-CB 3.4Å; T49-L53 VanDerWaalsContact O-CG 3.23Å; T49-L53 WeakPolarHBondContact O-CG 3.43Å; T49-L53 PolarHBondContact O-N 3.49Å; L50-L53 PolarHBondContact O-N 3.29Å; L53-S56 PolarHBondContact O-N 2.97Å; L53-L57 WeakPolarHBondContact O-CB 3.05Å; L53-L57 WeakPolarHBondContact O-CD1 3.09Å; L53-L57 WeakPolarHBondContact O-CG 3.29Å; L53-L57 PolarHBondContact O-N 3.36Å; L53-Y114 HydrophobicContact CD2-CD2 3.59Å; L53-Y114 HydrophobicContact CD2-CE2 3.75Å; L53-Y114 HydrophobicContact CD2-CG 4.47Å; L53-Y114 HydrophobicContact CG-CD2 4.45Å; L53-Y114 HydrophobicContact CG-CE2 4.11Å; L53-A125 HydrophobicContact CD1-CB 4.37Å; L53-L129 HydrophobicContact CB-CD1 4.36Å; L53-L129 HydrophobicContact CD1-CB 4.15Å; L53-L228 HydrophobicContact CD2-CD2 4.07Å; L53-F230 HydrophobicContact CD1-CZ 4.36Å; L53-F230 HydrophobicContact CD2-CE1 4.25Å; L53-F230 HydrophobicContact CD2-CZ 3.75Å
54C95.1Very high90.3Very high0 Ų018.3 Ų18.30%012%0.115CC..Hα-helixtrans-61.8-46.2179.3-69.60000111.6I11 F13 L50 L57 A58 Y134I11-C54 HydrophobicContact CG2-CB 3.94Å; F13-C54 HydrophobicContact CD2-CB 3.87Å; F13-C54 HydrophobicContact CE2-CB 4.33Å; L50-C54 VanDerWaalsContact O-CB 3.3Å; L50-C54 WeakPolarHBondContact O-CB 3.49Å; L50-C54 PolarHBondContact O-N 3.23Å; L50-C54 PolarHBondContact O-SG 3.36Å; C54-L57 PolarHBondContact O-N 3.5Å; C54-A58 VanDerWaalsContact O-CB 3.25Å; C54-A58 WeakPolarHBondContact O-CB 3.48Å; C54-A58 PolarHBondContact O-N 3.02Å; C54-Y134 HydrophobicContact CB-CE2 3.94Å
55A95.5Very high90.4Very high0 Ų020.7 Ų20.70%013%0.127CC..Hα-helixtrans-63.5-43176.500000112.1I11 M25 V28 L29 C51 W59I11-A55 HydrophobicContact CD1-CB 4.3Å; M25-A55 HydrophobicContact CB-CB 4.11Å; M25-A55 HydrophobicContact CG-CB 4.08Å; V28-A55 HydrophobicContact CB-CB 4.23Å; V28-A55 HydrophobicContact CG1-CB 3.92Å; L29-A55 HydrophobicContact CD2-CB 4.21Å; L29-A55 WeakPolarHBondContact CD2-O 3.42Å; L29-A55 HydrophobicContact CG-CB 4.23Å; C51-A55 VanDerWaalsContact O-CB 3.23Å; C51-A55 WeakPolarHBondContact O-CB 3.45Å; C51-A55 PolarHBondContact O-N 2.99Å; A55-W59 VanDerWaalsContact O-CB 3.32Å; A55-W59 WeakPolarHBondContact O-CB 3.4Å; A55-W59 PolarHBondContact O-N 2.94Å
56S95.1Very high90.6Very high1 Ų121.3 Ų21.31%0.00713%0.126CC..Hα-helixtrans-64-41.8179-59.90000112.7L52 L53 L60L52-S56 VanDerWaalsContact O-CB 3.22Å; L52-S56 WeakPolarHBondContact O-CB 3.21Å; L52-S56 PolarHBondContact O-N 3.41Å; L52-S56 PolarHBondContact O-OG 2.95Å; L53-S56 PolarHBondContact O-N 2.97Å; S56-L60 WeakPolarHBondContact O-CG 3.3Å; S56-L60 PolarHBondContact O-N 3.46Å
57L93.5Very high90.3Very high1 Ų124.8 Ų24.81%0.00515%0.147CC..Hα-helixtrans-73.1-44.3179.9-72.5162.2000111.4L53 C54 W59 L60 D61 L129 Y134 R137 L228L53-L57 WeakPolarHBondContact O-CB 3.05Å; L53-L57 WeakPolarHBondContact O-CD1 3.09Å; L53-L57 WeakPolarHBondContact O-CG 3.29Å; L53-L57 PolarHBondContact O-N 3.36Å; C54-L57 PolarHBondContact O-N 3.5Å; L57-W59 PolarHBondContact O-N 3.38Å; L57-L60 HydrophobicContact CD2-CD1 4.33Å; L57-L60 WeakPolarHBondContact O-CB 3.47Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-L60 VanDerWaalsContact O-N 3.08Å; L57-D61 PolarHBondContact O-N 3.35Å; L57-L129 HydrophobicContact CD1-CD1 3.34Å; L57-L129 HydrophobicContact CD1-CD2 3.94Å; L57-L129 HydrophobicContact CD1-CG 4.28Å; L57-Y134 HydrophobicContact CB-CD1 3.73Å; L57-Y134 HydrophobicContact CB-CD2 4.5Å; L57-Y134 HydrophobicContact CB-CE1 4.1Å; L57-Y134 HydrophobicContact CB-CG 3.96Å; L57-Y134 HydrophobicContact CD1-CD2 4.47Å; L57-Y134 HydrophobicContact CD1-CG 4.02Å; L57-R137 HydrophobicContact CD2-CB 4.37Å; L57-R137 HydrophobicContact CD2-CG 4.46Å; L57-L228 HydrophobicContact CD1-CD2 4.22Å; L57-L228 HydrophobicContact CD2-CB 4.38Å; L57-L228 HydrophobicContact CD2-CD2 3.92Å; L57-L228 HydrophobicContact CG-CD2 4.21Å
58A93.8Very high89.7Confident3 Ų329.2 Ų29.23%0.02516%0.16CC..Hα-helixtrans-56.4-38.8172.800000112.2V9 I11 C54 D61 K62 Y134V9-A58 HydrophobicContact CG1-CB 3.59Å; I11-A58 HydrophobicContact CB-CB 4.26Å; I11-A58 HydrophobicContact CG1-CB 3.74Å; I11-A58 HydrophobicContact CG2-CB 4.42Å; C54-A58 VanDerWaalsContact O-CB 3.25Å; C54-A58 WeakPolarHBondContact O-CB 3.48Å; C54-A58 PolarHBondContact O-N 3.02Å; A58-D61 WeakPolarHBondContact O-CB 3.47Å; A58-D61 PolarHBondContact O-N 2.96Å; A58-K62 PolarHBondContact O-N 2.98Å; A58-Y134 HydrophobicContact CB-CE1 4.48Å
59W94.3Very high89Confident2 Ų234.2 Ų34.21%0.00819%0.186CC..Hα-helixtrans-64.1-47.6173.9-17783.7000112.1L29 L32 N33 A55 L57 D61 K62 Q63 C110 I112L29-W59 HydrophobicContact CD2-CB 3.81Å; L29-W59 HydrophobicContact CD2-CG 4.38Å; L32-W59 HydrophobicContact CB-CD2 3.78Å; L32-W59 HydrophobicContact CB-CE3 4.35Å; L32-W59 HydrophobicContact CB-CG 3.88Å; L32-W59 HydrophobicContact CB-CZ2 4.36Å; L32-W59 HydrophobicContact CD1-CB 3.91Å; L32-W59 HydrophobicContact CD1-CD2 4.14Å; L32-W59 HydrophobicContact CD1-CE3 4.31Å; L32-W59 HydrophobicContact CD1-CG 3.96Å; L32-W59 HydrophobicContact CD2-CE3 4.37Å; L32-W59 HydrophobicContact CG-CD2 4.41Å; L32-W59 WeakPolarHBondContact O-CZ2 3.49Å; N33-W59 VanDerWaalsContact OD1-CD1 3.23Å; N33-W59 PolarHBondContact OD1-NE1 3.4Å; A55-W59 VanDerWaalsContact O-CB 3.32Å; A55-W59 WeakPolarHBondContact O-CB 3.4Å; A55-W59 PolarHBondContact O-N 2.94Å; L57-W59 PolarHBondContact O-N 3.38Å; W59-D61 PolarHBondContact O-N 3.01Å; W59-K62 WeakPolarHBondContact O-CB 3.31Å; W59-K62 PolarHBondContact O-N 2.82Å; W59-Q63 HydrophobicContact CD2-CG 3.93Å; W59-Q63 HydrophobicContact CE3-CG 4.09Å; W59-Q63 HydrophobicContact CH2-CG 3.84Å; W59-Q63 HydrophobicContact CZ2-CG 3.65Å; W59-Q63 HydrophobicContact CZ3-CG 4.05Å; W59-Q63 WeakPolarHBondContact O-CG 3.36Å; W59-Q63 PolarHBondContact O-N 3.35Å; W59-C110 HydrophobicContact CH2-CB 3.92Å; W59-C110 WeakPolarHBondContact CH2-SG 3.44Å; W59-C110 HydrophobicContact CZ3-CB 3.99Å; W59-C110 VanDerWaalsContact CZ3-SG 3.57Å; W59-I112 HydrophobicContact CE3-CD1 4.3Å
60L91.7Very high88Confident12 Ų1235.2 Ų35.26%0.06319%0.19CC..Hα-helixtrans-58.3-37.8175.1-74.8172.3000112.1S56 L57 Q63 A64 C110 I112S56-L60 WeakPolarHBondContact O-CG 3.3Å; S56-L60 PolarHBondContact O-N 3.46Å; L57-L60 HydrophobicContact CD2-CD1 4.33Å; L57-L60 WeakPolarHBondContact O-CB 3.47Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-L60 VanDerWaalsContact O-N 3.08Å; L60-Q63 PolarHBondContact O-N 3Å; L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.26Å; L60-C110 VanDerWaalsContact CD2-O 3.28Å; L60-C110 WeakPolarHBondContact CD2-O 3.49Å; L60-I112 HydrophobicContact CD1-CB 4.49Å; L60-I112 HydrophobicContact CD1-CD1 3.76Å; L60-I112 HydrophobicContact CD1-CG1 4.08Å; L60-I112 HydrophobicContact CD2-CD1 4.15Å; L60-I112 HydrophobicContact CD2-CG1 4.2Å; L60-I112 HydrophobicContact CG-CD1 3.78Å; L60-I112 HydrophobicContact CG-CG1 4.28Å
61D89Confident86.9Confident28 Ų2837.2 Ų37.215%0.1521%0.205CC..Hα-helixtrans-63.9-46.7178-68.111.5000111L57 A58 W59 Q63 A64 N65 R137L57-D61 PolarHBondContact O-N 3.35Å; A58-D61 WeakPolarHBondContact O-CB 3.47Å; A58-D61 PolarHBondContact O-N 2.96Å; W59-D61 PolarHBondContact O-N 3.01Å; D61-Q63 VanDerWaalsContact C-N 3.33Å; D61-Q63 PolarHBondContact O-N 3.44Å; D61-A64 PolarHBondContact O-N 3.45Å; D61-N65 WeakPolarHBondContact O-CB 3.16Å; D61-N65 PolarHBondContact O-N 2.95Å; D61-N65 PolarHBondContact O-ND2 3.5Å; D61-R137 VanDerWaalsContact CG-NE 3.34Å; D61-R137 IonicContact OD1-CZ 2.75Å; D61-R137 IonicContact OD1-NE 3.23Å; D61-R137 PolarHBondContact OD1-NE 3.2Å; D61-R137 IonicContact OD1-NH1 3.85Å; D61-R137 PolarHBondContact OD1-NH1 3.29Å; D61-R137 IonicContact OD1-NH2 2.79Å; D61-R137 PolarHBondContact OD1-NH2 3.44Å; D61-R137 IonicContact OD2-CZ 2.73Å; D61-R137 VanDerWaalsContact OD2-CZ 3.23Å; D61-R137 IonicContact OD2-NE 2.71Å; D61-R137 PolarHBondContact OD2-NE 3.35Å; D61-R137 VanDerWaalsContact OD2-NE 3.16Å; D61-R137 IonicContact OD2-NH2 2.63Å; D61-R137 PolarHBondContact OD2-NH2 3.37Å
62K90.1Very high85.8Confident65 Ų6539.4 Ų39.428%0.28322%0.224SC..Hα-helixtrans-58.8-44173.2179.7-179.2178.3171.60111.8D7 G8 V9 A58 W59 N65 S66D7-K62 PolarHBondContact O-NZ 3.16Å; G8-K62 WeakPolarHBondContact O-CD 3.42Å; G8-K62 WeakPolarHBondContact O-CE 3.44Å; G8-K62 PolarHBondContact O-NZ 2.88Å; V9-K62 HydrophobicContact CB-CD 4.45Å; V9-K62 HydrophobicContact CG2-CD 3.61Å; A58-K62 PolarHBondContact O-N 2.98Å; W59-K62 WeakPolarHBondContact O-CB 3.31Å; W59-K62 PolarHBondContact O-N 2.82Å; K62-N65 PolarHBondContact O-N 3.35Å; K62-S66 WeakPolarHBondContact O-CB 3.21Å; K62-S66 PolarHBondContact O-N 2.7Å; K62-S66 PolarHBondContact O-OG 3.14Å
63Q87.4Confident84.4Confident61 Ų6142.9 Ų42.929%0.28525%0.245SC..Hα-helixtrans-64.2-45.2179.2-66.2-56.996.900111.5W59 L60 D61 S66 V67W59-Q63 HydrophobicContact CD2-CG 3.93Å; W59-Q63 HydrophobicContact CE3-CG 4.09Å; W59-Q63 HydrophobicContact CH2-CG 3.84Å; W59-Q63 HydrophobicContact CZ2-CG 3.65Å; W59-Q63 HydrophobicContact CZ3-CG 4.05Å; W59-Q63 WeakPolarHBondContact O-CG 3.36Å; W59-Q63 PolarHBondContact O-N 3.35Å; L60-Q63 PolarHBondContact O-N 3Å; D61-Q63 VanDerWaalsContact C-N 3.33Å; D61-Q63 PolarHBondContact O-N 3.44Å; Q63-S66 PolarHBondContact O-N 3.39Å; Q63-V67 WeakPolarHBondContact O-CG2 3.24Å; Q63-V67 PolarHBondContact O-N 2.52Å; Q63-V67 VanDerWaalsContact O-N 3.1Å
64A83.7Confident82.6Confident38 Ų3845.9 Ų45.931%0.31426%0.261SS..Hα-helixtrans-61.9-44.6177.300000112L60 D61 S66 V67 Q68L60-A64 WeakPolarHBondContact O-CB 3.49Å; L60-A64 PolarHBondContact O-N 3.26Å; D61-A64 PolarHBondContact O-N 3.45Å; A64-S66 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 3.49Å; A64-V67 PolarHBondContact O-N 3.38Å; A64-Q68 WeakPolarHBondContact O-CG 3.36Å; A64-Q68 PolarHBondContact O-N 2.86Å
65N83.9Confident81Confident80 Ų8048.3 Ų48.343%0.42828%0.282SS..Hα-helixtrans-64.2-38.4177.5-68.4-13.9000111.8D61 K62 V67 Q68 L69D61-N65 WeakPolarHBondContact O-CB 3.16Å; D61-N65 PolarHBondContact O-N 2.95Å; D61-N65 PolarHBondContact O-ND2 3.5Å; K62-N65 PolarHBondContact O-N 3.35Å; N65-V67 PolarHBondContact O-N 3.23Å; N65-Q68 PolarHBondContact O-N 3.28Å; N65-L69 VanDerWaalsContact O-CG 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.16Å; N65-L69 PolarHBondContact O-N 3.07Å
66S81.2Confident79.2Confident44 Ų4455.7 Ų55.731%0.30831%0.314SS..Hα-helixtrans-63-41.6177-58.30000111.6K62 Q63 A64 L69 I70K62-S66 WeakPolarHBondContact O-CB 3.21Å; K62-S66 PolarHBondContact O-N 2.7Å; K62-S66 PolarHBondContact O-OG 3.14Å; Q63-S66 PolarHBondContact O-N 3.39Å; A64-S66 VanDerWaalsContact C-N 3.33Å; A64-S66 PolarHBondContact O-N 3.49Å; S66-L69 PolarHBondContact O-N 2.93Å; S66-I70 WeakPolarHBondContact O-CD1 3.16Å; S66-I70 VanDerWaalsContact O-CG1 3.25Å; S66-I70 WeakPolarHBondContact O-CG1 3.36Å; S66-I70 PolarHBondContact O-N 3.47Å
67V74.5Confident77.2Confident75 Ų7561.2 Ų61.246%0.45534%0.339SS..Hα-helixtrans-66.2-39.4175.7174.10000111.7Q63 A64 N65 I70 S71Q63-V67 WeakPolarHBondContact O-CG2 3.24Å; Q63-V67 PolarHBondContact O-N 2.52Å; Q63-V67 VanDerWaalsContact O-N 3.1Å; A64-V67 PolarHBondContact O-N 3.38Å; N65-V67 PolarHBondContact O-N 3.23Å; V67-I70 PolarHBondContact O-N 3.16Å; V67-S71 WeakPolarHBondContact O-CB 3.5Å; V67-S71 PolarHBondContact O-N 2.95Å; V67-S71 PolarHBondContact O-OG 2.69Å
68Q74.8Confident75.2Confident125 Ų12568.8 Ų68.858%0.58437%0.374SS*.Hα-helixtrans-65-39.5175.6-71.9178.25.800112.1A64 N65 S71 A72A64-Q68 WeakPolarHBondContact O-CG 3.36Å; A64-Q68 PolarHBondContact O-N 2.86Å; N65-Q68 PolarHBondContact O-N 3.28Å; Q68-S71 WeakPolarHBondContact CA-OG 3.31Å; Q68-S71 PolarHBondContact O-OG 3.37Å; Q68-A72 VanDerWaalsContact O-CB 3.27Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.38Å
69L75.3Confident73.2Confident118 Ų11875.7 Ų75.762%0.61841%0.411SS*.Hα-helixtrans-65.5-44176.2-73.2167.2000111.7N65 S66 A72 T73N65-L69 VanDerWaalsContact O-CG 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.16Å; N65-L69 PolarHBondContact O-N 3.07Å; S66-L69 PolarHBondContact O-N 2.93Å; L69-A72 PolarHBondContact O-N 2.92Å; L69-T73 WeakPolarHBondContact O-CG2 3.16Å; L69-T73 PolarHBondContact O-N 2.96Å; L69-T73 PolarHBondContact O-OG1 3.02Å
70I71.9Confident71.3Confident58 Ų5881 Ų8130%0.29744%0.443SS..Hα-helixtrans-63.4-46.8177.9-66.4163.7000110.7S66 V67 A72 T73 D74 L100 L103S66-I70 WeakPolarHBondContact O-CD1 3.16Å; S66-I70 VanDerWaalsContact O-CG1 3.25Å; S66-I70 WeakPolarHBondContact O-CG1 3.36Å; S66-I70 PolarHBondContact O-N 3.47Å; V67-I70 PolarHBondContact O-N 3.16Å; I70-A72 VanDerWaalsContact C-N 3.32Å; I70-A72 PolarHBondContact O-N 3.05Å; I70-T73 WeakPolarHBondContact CA-OG1 3.33Å; I70-T73 PolarHBondContact O-N 3.38Å; I70-T73 VanDerWaalsContact O-N 3.16Å; I70-T73 PolarHBondContact O-OG1 2.84Å; I70-D74 PolarHBondContact O-N 2.96Å; I70-L100 HydrophobicContact CG2-CD2 4.42Å; I70-L103 HydrophobicContact CD1-CD1 4.4Å
71S69.3Low69Low67 Ų6787 Ų8747%0.46947%0.473SS..Hα-helixtrans-65.1-34.1177.854.40000112.7V67 Q68 D74 A75V67-S71 WeakPolarHBondContact O-CB 3.5Å; V67-S71 PolarHBondContact O-N 2.95Å; V67-S71 PolarHBondContact O-OG 2.69Å; Q68-S71 WeakPolarHBondContact CA-OG 3.31Å; Q68-S71 PolarHBondContact O-OG 3.37Å; S71-D74 PolarHBondContact O-N 3.21Å; S71-A75 WeakPolarHBondContact O-CB 3.33Å; S71-A75 PolarHBondContact O-N 3.07Å
72A70.9Confident66.9Low48 Ų4889.5 Ų89.540%0.39751%0.505SS..Hα-helixtrans-68.8-35.7172.400000113Q68 L69 I70 K76Q68-A72 VanDerWaalsContact O-CB 3.27Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.38Å; L69-A72 PolarHBondContact O-N 2.92Å; I70-A72 VanDerWaalsContact C-N 3.32Å; I70-A72 PolarHBondContact O-N 3.05Å; A72-K76 WeakPolarHBondContact O-CG 3.45Å; A72-K76 PolarHBondContact O-N 3.5Å; A72-K76 VanDerWaalsContact O-N 3.17Å
73T65.5Low65Low74 Ų7495.3 Ų95.345%0.45453%0.531SS..Hα-helixtrans-69.5-38.1173.947.20000112.1L69 I70 K76 H77L69-T73 WeakPolarHBondContact O-CG2 3.16Å; L69-T73 PolarHBondContact O-N 2.96Å; L69-T73 PolarHBondContact O-OG1 3.02Å; I70-T73 WeakPolarHBondContact CA-OG1 3.33Å; I70-T73 PolarHBondContact O-N 3.38Å; I70-T73 VanDerWaalsContact O-N 3.16Å; I70-T73 PolarHBondContact O-OG1 2.84Å; T73-K76 PolarHBondContact O-N 3.14Å; T73-H77 PolarHBondContact O-N 3.24Å
74D58.9Low62.8Low63 Ų63103.9 Ų103.934%0.33756%0.56SS.*Hα-helixtrans-66.6-41.9176.3-73.7-19.9000111.6I70 S71 K76 H77 Q78I70-D74 PolarHBondContact O-N 2.96Å; S71-D74 PolarHBondContact O-N 3.21Å; D74-K76 VanDerWaalsContact C-N 3.28Å; D74-K76 PolarHBondContact O-N 3.28Å; D74-H77 PolarHBondContact O-N 3.2Å; D74-Q78 WeakPolarHBondContact O-CG 3.18Å; D74-Q78 PolarHBondContact O-N 3.47Å
75A59.8Low60.8Low52 Ų52107.6 Ų107.643%0.4358%0.581SS.*Hα-helixtrans-62.7-33.6174.500000112.6S71 N79S71-A75 WeakPolarHBondContact O-CB 3.33Å; S71-A75 PolarHBondContact O-N 3.07Å; A75-N79 PolarHBondContact O-N 2.94Å; A75-N79 PolarHBondContact O-ND2 3.49Å
76K58.3Low59.1Low155 Ų155109 Ų10967%0.67459%0.593SS**Hα-helixtrans-72.5-40.5173.8-77.1-179.3-179.8178.90112A72 T73 D74 N79 T80A72-K76 WeakPolarHBondContact O-CG 3.45Å; A72-K76 PolarHBondContact O-N 3.5Å; A72-K76 VanDerWaalsContact O-N 3.17Å; T73-K76 PolarHBondContact O-N 3.14Å; D74-K76 VanDerWaalsContact C-N 3.28Å; D74-K76 PolarHBondContact O-N 3.28Å; K76-N79 PolarHBondContact O-N 3.28Å; K76-T80 PolarHBondContact O-N 3Å; K76-T80 PolarHBondContact O-OG1 2.93Å
77H54.1Low57.7Low116 Ų116111.5 Ų111.554%0.53761%0.611SS.*Hα-helixtrans-69.5-36.4178.7-93.4-43000113.2T73 D74 N79 T80 M81T73-H77 PolarHBondContact O-N 3.24Å; D74-H77 PolarHBondContact O-N 3.2Å; H77-N79 PolarHBondContact O-N 3.35Å; H77-T80 PolarHBondContact O-N 3.24Å; H77-M81 PolarHBondContact O-N 2.65Å; H77-M81 VanDerWaalsContact O-N 3.14Å
78Q51.4Low56.6Low160 Ų160114.3 Ų114.375%0.74862%0.623SS**Hα-helixtrans-65.4-28.8173.8-72.3-1764.400112.6D74D74-Q78 WeakPolarHBondContact O-CG 3.18Å; D74-Q78 PolarHBondContact O-N 3.47Å
79N52.2Low55.3Low148 Ų148113.8 Ų113.879%0.79162%0.624SS**Hα-helixtrans-82.2-10.3175.7-79.7-28.3000114.7A75 K76 H77A75-N79 PolarHBondContact O-N 2.94Å; A75-N79 PolarHBondContact O-ND2 3.49Å; K76-N79 PolarHBondContact O-N 3.28Å; H77-N79 PolarHBondContact O-N 3.35Å
80T53.3Low54Low113 Ų113112.3 Ų112.369%0.69362%0.62SS**Hα-helixtrans-110.7-12.2178.114.50000114.7K76 H77 G82K76-T80 PolarHBondContact O-N 3Å; K76-T80 PolarHBondContact O-OG1 2.93Å; H77-T80 PolarHBondContact O-N 3.24Å; T80-G82 PolarHBondContact O-N 2.69Å
81M44.4Very low52.8Low139 Ų139116.2 Ų116.269%0.68564%0.641SS**  trans-91.467.2178.9-73-127.8-111.400113.2H77H77-M81 PolarHBondContact O-N 2.65Å; H77-M81 VanDerWaalsContact O-N 3.14Å
82G44.6Very low51.7Low80 Ų80118.8 Ų118.883%0.82565%0.65SS**  trans-90.813164.500000114.3T80T80-G82 PolarHBondContact O-N 2.69Å
83K49.3Very low50.4Low188 Ų188119 Ų11982%0.81765%0.652SS**SBendtrans-122.8122.1179.4-78.3-177.5175.8178.60110.4
84R40.8Very low49.3Very low240 Ų240119.9 Ų119.991%0.90665%0.653SS**PPolyproline II helixtrans-49.3128174.1-88.3178.2172.3171.8-3110.3T86R84-T86 PolarHBondContact O-N 3.42Å
85P42.2Very low48.8Very low117 Ų117120.1 Ų120.176%0.7666%0.66SS**PPolyproline II helixtrans-64.5133.2166.9-10.825.4000109
86T49.4Very low48.2Very low108 Ų108123.2 Ų123.266%0.66367%0.665SS**PPolyproline II helixtrans-71156.3167.247.20000110.1R84 D88R84-T86 PolarHBondContact O-N 3.42Å; T86-D88 PolarHBondContact O-N 3.12Å
87S51.4Low47.5Very low98 Ų98122.2 Ų122.269%0.68566%0.663SS**THydrogen-bonded Turntrans-60.2-4.3-167.1490000117.2
88D50.7Low47.2Very low134 Ų134121.8 Ų121.872%0.71767%0.665SS**THydrogen-bonded Turntrans-102.28.4-160.8-58.5-12.5000114T86T86-D88 PolarHBondContact O-N 3.12Å
89N48.4Very low47Very low113 Ų113119.9 Ų119.960%0.60465%0.654SS**  trans-125.721.4-175-83-33.3000115.3D91 A93N89-D91 VanDerWaalsContact C-N 3.35Å; N89-D91 PolarHBondContact O-N 3.09Å; N89-A93 PolarHBondContact O-N 3.43Å
90V47.2Very low46.5Very low87 Ų87115.8 Ų115.853%0.52763%0.632SS.*Hα-helixtrans-65.5-33.3-171.4-173.80000113.1A93 L94V90-A93 PolarHBondContact O-N 3.02Å; V90-L94 HydrophobicContact CG1-CD1 3.96Å; V90-L94 WeakPolarHBondContact O-CD1 3.49Å; V90-L94 PolarHBondContact O-N 3.04Å
91D46.1Very low46Very low141 Ų141113 Ų11375%0.75462%0.621SS**Hα-helixtrans-75.2-30.9-174.6-64.7-29000113.9N89N89-D91 VanDerWaalsContact C-N 3.35Å; N89-D91 PolarHBondContact O-N 3.09Å
92N46.2Very low46Very low120 Ų120109.6 Ų109.664%0.64261%0.61SS**Hα-helixtrans-80.3-26.4175.3-83-20.4000112.7S95 H96N92-S95 PolarHBondContact O-OG 3.43Å; N92-H96 PolarHBondContact O-N 2.65Å
93A43.9Very low45.6Very low54 Ų54108.3 Ų108.345%0.44658%0.584SS.*Hα-helixtrans-71.9-36.617600000111.9N89 V90 H96 Q97N89-A93 PolarHBondContact O-N 3.43Å; V90-A93 PolarHBondContact O-N 3.02Å; A93-H96 PolarHBondContact O-N 3.36Å; A93-Q97 WeakPolarHBondContact O-CB 3.24Å; A93-Q97 PolarHBondContact O-N 2.96Å
94L43.3Very low45Very low91 Ų91100.5 Ų100.548%0.47656%0.557SS.*Hα-helixtrans-66.8-37.4176.2-102.294.9000112.8V90 N98V90-L94 HydrophobicContact CG1-CD1 3.96Å; V90-L94 WeakPolarHBondContact O-CD1 3.49Å; V90-L94 PolarHBondContact O-N 3.04Å; L94-N98 WeakPolarHBondContact O-CB 3.47Å; L94-N98 VanDerWaalsContact O-CG 3.24Å; L94-N98 PolarHBondContact O-N 2.92Å; L94-N98 PolarHBondContact O-ND2 3.35Å
95S47.4Very low44.8Very low68 Ų6897.7 Ų97.748%0.47655%0.551SS.*Hα-helixtrans-67.8-39176.6710000111.5N92 N98 F99N92-S95 PolarHBondContact O-OG 3.43Å; S95-N98 PolarHBondContact O-N 3.33Å; S95-F99 WeakPolarHBondContact O-CB 3.3Å; S95-F99 PolarHBondContact O-N 2.79Å
96H48Very low44.8Very low118 Ų11894.4 Ų94.455%0.54653%0.529SS..Hα-helixtrans-69-39.9176.7-133.4-38.8000112.3N92 A93 F99 L100N92-H96 PolarHBondContact O-N 2.65Å; A93-H96 PolarHBondContact O-N 3.36Å; H96-F99 PolarHBondContact O-N 3.17Å; H96-L100 WeakPolarHBondContact O-CB 3.21Å; H96-L100 VanDerWaalsContact O-CG 3.28Å; H96-L100 WeakPolarHBondContact O-CG 2.98Å; H96-L100 PolarHBondContact O-N 3.26Å
97Q43.4Very low44.4Very low133 Ų13395.2 Ų95.262%0.62153%0.53SS*.Hα-helixtrans-66.1-38.2173.1-84.6-178.2-20.700112.6A93 L100 A101A93-Q97 WeakPolarHBondContact O-CB 3.24Å; A93-Q97 PolarHBondContact O-N 2.96Å; Q97-L100 PolarHBondContact O-N 2.91Å; Q97-A101 VanDerWaalsContact O-CB 3.24Å; Q97-A101 WeakPolarHBondContact O-CB 3.33Å; Q97-A101 PolarHBondContact O-N 3.11Å
98N48.2Very low44.3Very low108 Ų10895.6 Ų95.658%0.57852%0.524SS*.Hα-helixtrans-68.8-35.7175.2-75.7-28.6000112.3L94 S95 A101 S102L94-N98 WeakPolarHBondContact O-CB 3.47Å; L94-N98 VanDerWaalsContact O-CG 3.24Å; L94-N98 PolarHBondContact O-N 2.92Å; L94-N98 PolarHBondContact O-ND2 3.35Å; S95-N98 PolarHBondContact O-N 3.33Å; N98-A101 PolarHBondContact O-N 2.88Å; N98-S102 PolarHBondContact O-N 3.36Å
99F46.7Very low44.9Very low120 Ų12091.7 Ų91.753%0.52652%0.515SS..Hα-helixtrans-65-47.6172-178.8-109.1000111.2S95 H96 A101 S102 L103S95-F99 WeakPolarHBondContact O-CB 3.3Å; S95-F99 PolarHBondContact O-N 2.79Å; H96-F99 PolarHBondContact O-N 3.17Å; F99-A101 VanDerWaalsContact C-N 3.3Å; F99-A101 PolarHBondContact O-N 3.36Å; F99-S102 WeakPolarHBondContact O-CB 3.26Å; F99-S102 PolarHBondContact O-N 3.33Å; F99-S102 VanDerWaalsContact O-N 3.12Å; F99-S102 PolarHBondContact O-OG 3.49Å; F99-L103 HydrophobicContact CD1-CD1 3.62Å; F99-L103 HydrophobicContact CE1-CD1 3.3Å; F99-L103 HydrophobicContact CE1-CG 4.37Å; F99-L103 HydrophobicContact CE2-CD1 4.42Å; F99-L103 HydrophobicContact CG-CD1 4.33Å; F99-L103 HydrophobicContact CZ-CD1 3.75Å; F99-L103 HydrophobicContact CZ-CG 4.43Å; F99-L103 PolarHBondContact O-N 2.95Å
100L41.8Very low46.3Very low62 Ų6286.9 Ų86.933%0.32549%0.491SS..Hα-helixtrans-64-30.7174.6-71.6171.1000112.8I70 H96 Q97 L103 G104I70-L100 HydrophobicContact CG2-CD2 4.42Å; H96-L100 WeakPolarHBondContact O-CB 3.21Å; H96-L100 VanDerWaalsContact O-CG 3.28Å; H96-L100 WeakPolarHBondContact O-CG 2.98Å; H96-L100 PolarHBondContact O-N 3.26Å; Q97-L100 PolarHBondContact O-N 2.91Å; L100-L103 HydrophobicContact CD2-CD1 4.36Å; L100-L103 CarbonylContact O-C 3.49Å; L100-G104 WeakPolarHBondContact O-CA 3.21Å; L100-G104 PolarHBondContact O-N 2.92Å
101A43.3Very low48.4Very low55 Ų5586.1 Ų86.146%0.45548%0.48SS..Hα-helixtrans-73.8-32.7172.300000112.3Q97 N98 F99 G104 K105Q97-A101 VanDerWaalsContact O-CB 3.24Å; Q97-A101 WeakPolarHBondContact O-CB 3.33Å; Q97-A101 PolarHBondContact O-N 3.11Å; N98-A101 PolarHBondContact O-N 2.88Å; F99-A101 VanDerWaalsContact C-N 3.3Å; F99-A101 PolarHBondContact O-N 3.36Å; A101-G104 CarbonylContact O-C 3.53Å; A101-G104 PolarHBondContact O-N 3.28Å; A101-K105 PolarHBondContact O-N 3.02Å
102S43.1Very low50.7Low66 Ų6679.4 Ų79.446%0.46244%0.444SS..Hα-helixtrans-68.6-36.9170.885.10000112.1N98 F99 G104 K105N98-S102 PolarHBondContact O-N 3.36Å; F99-S102 WeakPolarHBondContact O-CB 3.26Å; F99-S102 PolarHBondContact O-N 3.33Å; F99-S102 VanDerWaalsContact O-N 3.12Å; F99-S102 PolarHBondContact O-OG 3.49Å; S102-G104 VanDerWaalsContact C-N 3.35Å; S102-K105 PolarHBondContact O-N 3.42Å
103L37Very low53.1Low53 Ų5373.8 Ų73.828%0.27741%0.414SS..Hα-helixtrans-71.6-32.2170.1-74.3164.2000111.3I70 F99 L100 K105 V106I70-L103 HydrophobicContact CD1-CD1 4.4Å; F99-L103 HydrophobicContact CD1-CD1 3.62Å; F99-L103 HydrophobicContact CE1-CD1 3.3Å; F99-L103 HydrophobicContact CE1-CG 4.37Å; F99-L103 HydrophobicContact CE2-CD1 4.42Å; F99-L103 HydrophobicContact CG-CD1 4.33Å; F99-L103 HydrophobicContact CZ-CD1 3.75Å; F99-L103 HydrophobicContact CZ-CG 4.43Å; F99-L103 PolarHBondContact O-N 2.95Å; L100-L103 HydrophobicContact CD2-CD1 4.36Å; L100-L103 CarbonylContact O-C 3.49Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.23Å; L103-V106 CarbonylContact O-C 3.49Å; L103-V106 VanDerWaalsContact O-CA 3.27Å; L103-V106 WeakPolarHBondContact O-CA 3.39Å; L103-V106 WeakPolarHBondContact O-CB 3Å; L103-V106 WeakPolarHBondContact O-CG2 3.45Å; L103-V106 PolarHBondContact O-N 2.87Å
104G35.8Very low55.6Low25 Ų2571.2 Ų71.226%0.25839%0.393SS..Hα-helixtrans-70.3-21.2174.800000113.2L100 A101 S102 N107L100-G104 WeakPolarHBondContact O-CA 3.21Å; L100-G104 PolarHBondContact O-N 2.92Å; A101-G104 CarbonylContact O-C 3.53Å; A101-G104 PolarHBondContact O-N 3.28Å; S102-G104 VanDerWaalsContact C-N 3.35Å; G104-N107 VanDerWaalsContact CA-ND2 3.35Å; G104-N107 WeakPolarHBondContact CA-ND2 3.46Å; G104-N107 WeakPolarHBondContact O-CB 3.28Å; G104-N107 PolarHBondContact O-N 3.18Å; G104-N107 VanDerWaalsContact O-N 3.14Å; G104-N107 PolarHBondContact O-ND2 2.9Å; G104-N107 VanDerWaalsContact O-ND2 3.1Å
105K37.1Very low58.1Low180 Ų18066.9 Ų66.978%0.78337%0.37SS*.G310 helixtrans-74.4-16.8164.8-74.3-177.3177.6-177.20112.7A101 S102 L103 N107A101-K105 PolarHBondContact O-N 3.02Å; S102-K105 PolarHBondContact O-N 3.42Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.23Å; K105-N107 PolarHBondContact O-N 2.94Å
106V42.1Very low60.3Low49 Ų4963.6 Ų63.630%0.29735%0.347SS..G310 helixtrans-79.4-3167-163.30000111.2L103 N108L103-V106 CarbonylContact O-C 3.49Å; L103-V106 VanDerWaalsContact O-CA 3.27Å; L103-V106 WeakPolarHBondContact O-CA 3.39Å; L103-V106 WeakPolarHBondContact O-CB 3Å; L103-V106 WeakPolarHBondContact O-CG2 3.45Å; L103-V106 PolarHBondContact O-N 2.87Å; V106-N108 CarbonylContact O-C 3.45Å; V106-N108 VanDerWaalsContact O-C 3.3Å; V106-N108 PolarHBondContact O-N 3.08Å; V106-N108 VanDerWaalsContact O-N 3.12Å
107N40.5Very low62Low125 Ų12561.8 Ų61.867%0.66834%0.336SS*.G310 helixtrans-63.7-15.1177.7-71.7-19.5000114G104 K105 G109G104-N107 VanDerWaalsContact CA-ND2 3.35Å; G104-N107 WeakPolarHBondContact CA-ND2 3.46Å; G104-N107 WeakPolarHBondContact O-CB 3.28Å; G104-N107 PolarHBondContact O-N 3.18Å; G104-N107 VanDerWaalsContact O-N 3.14Å; G104-N107 PolarHBondContact O-ND2 2.9Å; G104-N107 VanDerWaalsContact O-ND2 3.1Å; K105-N107 PolarHBondContact O-N 2.94Å; N107-G109 PolarHBondContact O-N 3.21Å
108N50.2Low63.8Low105 Ų10557.6 Ų57.656%0.56132%0.319SS*.SBendtrans-85.493.7157-90.9-10.6000107.6V106 C110V106-N108 CarbonylContact O-C 3.45Å; V106-N108 VanDerWaalsContact O-C 3.3Å; V106-N108 PolarHBondContact O-N 3.08Å; V106-N108 VanDerWaalsContact O-N 3.12Å; N108-C110 PolarHBondContact O-N 2.97Å
109G64.1Low65.4Low52 Ų5254.8 Ų54.854%0.53630%0.302SS..  trans-43.2128.6-175.800000111.8N107 K111N107-G109 PolarHBondContact O-N 3.21Å; G109-K111 WeakPolarHBondContact O-CG 3.47Å; G109-K111 PolarHBondContact O-N 3.2Å
110C77.5Confident66.9Low13 Ų1352.2 Ų52.29%0.08830%0.3CS..  trans-54.8125.7-175.3-171.20000110.2W59 L60 N108W59-C110 HydrophobicContact CH2-CB 3.92Å; W59-C110 WeakPolarHBondContact CH2-SG 3.44Å; W59-C110 HydrophobicContact CZ3-CB 3.99Å; W59-C110 VanDerWaalsContact CZ3-SG 3.57Å; L60-C110 VanDerWaalsContact CD2-O 3.28Å; L60-C110 WeakPolarHBondContact CD2-O 3.49Å; N108-C110 PolarHBondContact O-N 2.97Å
111K89.8Confident69Low70 Ų7050.5 Ų50.530%0.30429%0.29SS..EExtended strand (participates in β ladder)trans-103.5146.1178.2-62.1-170.7178.3-167.60109.7G109 T224 S227 T252 T253G109-K111 WeakPolarHBondContact O-CG 3.47Å; G109-K111 PolarHBondContact O-N 3.2Å; K111-T224 PolarHBondContact NZ-O 2.95Å; K111-T224 VanDerWaalsContact NZ-O 3.17Å; K111-S227 WeakPolarHBondContact CA-O 3.32Å; K111-T252 HydrophobicContact CB-CG2 4.1Å; K111-T252 CarbonylContact O-C 3.59Å; K111-T252 WeakPolarHBondContact O-CA 3.48Å; K111-T252 WeakPolarHBondContact O-CG2 3.34Å; K111-T253 PolarHBondContact O-N 3.47Å
112I95.1Very high71.2Confident0 Ų047.9 Ų47.90%027%0.268CS..EExtended strand (participates in β ladder)trans-115.2126.3170.5-59.9-177.2000107.9L32 W59 L60 S227 L228 I229 T253 I255L32-I112 HydrophobicContact CD2-CD1 4.18Å; W59-I112 HydrophobicContact CE3-CD1 4.3Å; L60-I112 HydrophobicContact CD1-CB 4.49Å; L60-I112 HydrophobicContact CD1-CD1 3.76Å; L60-I112 HydrophobicContact CD1-CG1 4.08Å; L60-I112 HydrophobicContact CD2-CD1 4.15Å; L60-I112 HydrophobicContact CD2-CG1 4.2Å; L60-I112 HydrophobicContact CG-CD1 3.78Å; L60-I112 HydrophobicContact CG-CG1 4.28Å; I112-S227 PolarHBondContact N-O 2.71Å; I112-L228 HydrophobicContact CB-CD1 3.86Å; I112-L228 HydrophobicContact CG2-CD1 3.65Å; I112-L228 CarbonylContact O-C 3.55Å; I112-L228 WeakPolarHBondContact O-CA 3.23Å; I112-I229 PolarHBondContact O-N 3.02Å; I112-T253 CarbonylContact C-O 3.57Å; I112-T253 WeakPolarHBondContact CA-O 3.44Å; I112-I255 HydrophobicContact CG2-CD1 3.53Å; I112-I255 HydrophobicContact CG2-CG1 4.06Å
113I96Very high73.4Confident2 Ų245.5 Ų45.51%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-102.1118169.1-68174.4000107.8I229 M231 V236 I247 L249 T252 T253 I255I113-I229 CarbonylContact C-O 3.6Å; I113-I229 WeakPolarHBondContact CA-O 3.49Å; I113-I229 HydrophobicContact CG1-CB 4.36Å; I113-I229 HydrophobicContact CG1-CD1 4.45Å; I113-M231 HydrophobicContact CD1-CE 3.95Å; I113-M231 HydrophobicContact CD1-SD 4.47Å; I113-M231 HydrophobicContact CG1-CE 4.08Å; I113-M231 HydrophobicContact CG2-CE 3.82Å; I113-M231 HydrophobicContact CG2-CG 3.76Å; I113-M231 HydrophobicContact CG2-SD 3.81Å; I113-V236 HydrophobicContact CG2-CG2 3.82Å; I113-I247 HydrophobicContact CD1-CG2 4.12Å; I113-L249 HydrophobicContact CD1-CD2 3.36Å; I113-T252 HydrophobicContact CB-CG2 4.36Å; I113-T252 HydrophobicContact CD1-CG2 3.71Å; I113-T252 HydrophobicContact CG1-CG2 3.71Å; I113-T253 PolarHBondContact N-O 3.48Å; I113-I255 PolarHBondContact O-N 3.42Å
114Y96.8Very high75.7Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-92.8109.3169.6-167.6-75000109T49 L52 L53 L122 A125 I229 F230 M231 D257T49-Y114 WeakPolarHBondContact CG2-OH 3.5Å; L52-Y114 HydrophobicContact CD2-CD2 4.34Å; L52-Y114 HydrophobicContact CD2-CE2 3.59Å; L52-Y114 HydrophobicContact CG-CE2 4.33Å; L53-Y114 HydrophobicContact CD2-CD2 3.59Å; L53-Y114 HydrophobicContact CD2-CE2 3.75Å; L53-Y114 HydrophobicContact CD2-CG 4.47Å; L53-Y114 HydrophobicContact CG-CD2 4.45Å; L53-Y114 HydrophobicContact CG-CE2 4.11Å; Y114-L122 HydrophobicContact CD1-CD2 4.09Å; Y114-A125 HydrophobicContact CE1-CB 4.06Å; Y114-I229 PolarHBondContact N-O 3.28Å; Y114-F230 AromaticContact CD1-CD1 3.63Å; Y114-F230 HydrophobicContact CD1-CD1 3.63Å; Y114-F230 AromaticContact CD1-CE1 3.63Å; Y114-F230 HydrophobicContact CD1-CE1 3.63Å; Y114-F230 HydrophobicContact CD2-CE1 4.17Å; Y114-F230 HydrophobicContact CE1-CD1 4.43Å; Y114-F230 HydrophobicContact CE1-CE1 4.19Å; Y114-F230 AromaticContact CG-CD1 3.87Å; Y114-F230 HydrophobicContact CG-CD1 3.87Å; Y114-F230 AromaticContact CG-CE1 3.62Å; Y114-F230 HydrophobicContact CG-CE1 3.62Å; Y114-F230 HydrophobicContact CG-CZ 4.37Å; Y114-F230 WeakPolarHBondContact O-CA 3.31Å; Y114-M231 PolarHBondContact O-N 2.86Å; Y114-D257 HydrophobicContact CE1-CB 3.72Å; Y114-D257 HydrophobicContact CE2-CB 4.39Å; Y114-D257 WeakPolarHBondContact OH-CB 3.05Å; Y114-D257 PolarHBondContact OH-OD2 3.41Å
115A96.2Very high78.3Confident0 Ų046.7 Ų46.70%025%0.25CS..EExtended strand (participates in β ladder)trans-104.1138.717900000110.9M231 Y233 V236 I255 F256 D257A115-M231 WeakPolarHBondContact CA-O 3.14Å; A115-Y233 VanDerWaalsContact C-CE1 3.5Å; A115-Y233 HydrophobicContact CB-CD1 3.74Å; A115-Y233 HydrophobicContact CB-CE1 4.09Å; A115-Y233 WeakPolarHBondContact O-CE1 3.28Å; A115-V236 HydrophobicContact CB-CG2 4.19Å; A115-I255 WeakPolarHBondContact CA-O 3.44Å; A115-I255 WeakPolarHBondContact CB-O 3.45Å; A115-I255 PolarHBondContact N-O 2.89Å; A115-F256 HydrophobicContact CB-CD1 3.84Å; A115-F256 HydrophobicContact CB-CE1 4.08Å; A115-D257 PolarHBondContact O-N 3.39Å
116S92.9Very high80.9Confident0 Ų038.2 Ų38.20%021%0.213CC..EExtended strand (participates in β ladder)trans-138164.6171-164.40000111.4Q121 M231 P232 Y233 D257S116-Q121 WeakPolarHBondContact OG-CB 3.45Å; S116-Q121 PolarHBondContact OG-OE1 3.32Å; S116-M231 PolarHBondContact N-O 3.22Å; S116-P232 CarbonylContact O-C 3.57Å; S116-P232 VanDerWaalsContact O-CA 3.32Å; S116-P232 WeakPolarHBondContact O-CA 3.33Å; S116-Y233 VanDerWaalsContact C-CE1 3.45Å; S116-Y233 VanDerWaalsContact O-CD1 3.29Å; S116-Y233 WeakPolarHBondContact O-CD1 3.25Å; S116-Y233 PolarHBondContact O-N 2.87Å; S116-D257 PolarHBondContact OG-O 2.95Å
117R85Confident83.1Confident80 Ų8040 Ų4030%0.30222%0.221SC..SBendtrans-69.6-33.3-175-174.5173.5173.2-147.1-14.2112.5Y233 H260 N261 E673R117-Y233 HydrophobicContact CB-CD2 4.39Å; R117-Y233 HydrophobicContact CB-CE2 4.23Å; R117-H260 PolarHBondContact NH1-NE2 3.35Å; R117-N261 PolarHBondContact NH1-OD1 2.92Å; R117-E673 IonicContact CZ-OE1 2.63Å; R117-E673 VanDerWaalsContact CZ-OE1 3.23Å; R117-E673 IonicContact CZ-OE2 3.81Å; R117-E673 IonicContact NH1-OE1 2.75Å; R117-E673 PolarHBondContact NH1-OE1 3.14Å; R117-E673 IonicContact NH1-OE2 3.41Å; R117-E673 IonicContact NH2-OE1 3.63Å; R117-E673 PolarHBondContact NH2-OE1 3.01Å; R117-E673 IonicContact NH2-OE2 2.64Å
118T81.6Confident85.4Confident44 Ų4436 Ų3627%0.2721%0.205SC..SBendtrans-134.4152.2-175.166.60000112.5S120 Q121 L122T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 2.8Å; T118-S120 PolarHBondContact OG1-OG 3.42Å; T118-Q121 PolarHBondContact O-N 3.41Å; T118-Q121 VanDerWaalsContact O-N 3.14Å; T118-Q121 VanDerWaalsContact OG1-CD 3.27Å; T118-Q121 VanDerWaalsContact OG1-CG 3.3Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.28Å; T118-Q121 PolarHBondContact OG1-N 2.87Å; T118-Q121 PolarHBondContact OG1-OE1 3.21Å; T118-L122 PolarHBondContact O-N 3.17Å
119H80.2Confident87.3Confident49 Ų4931 Ų3123%0.22718%0.178CC..Hα-helixtrans-61.7-32.4175.5-75.6-87.6000113.2Q121 L122 A123 Q147 I201 P232H119-Q121 VanDerWaalsContact C-N 3.3Å; H119-Q121 PolarHBondContact O-N 3.45Å; H119-L122 PolarHBondContact O-N 3.32Å; H119-A123 PolarHBondContact O-N 3Å; H119-Q147 PolarHBondContact CD2-NE2 3.14Å; H119-Q147 PolarHBondContact CE1-NE2 3.29Å; H119-Q147 VanDerWaalsContact CE1-NE2 3.32Å; H119-Q147 PolarHBondContact CE1-OE1 3.27Å; H119-Q147 VanDerWaalsContact CG-NE2 3.26Å; H119-Q147 PolarHBondContact ND1-NE2 2.93Å; H119-Q147 PolarHBondContact ND1-OE1 2.88Å; H119-Q147 PolarHBondContact NE2-NE2 3.2Å; H119-Q147 PolarHBondContact NE2-OE1 3.17Å; H119-I201 WeakPolarHBondContact ND1-CD1 3.46Å; H119-P232 VanDerWaalsContact CE1-CG 3.43Å; H119-P232 WeakPolarHBondContact CE1-CG 3.33Å; H119-P232 VanDerWaalsContact NE2-CG 3.29Å; H119-P232 WeakPolarHBondContact NE2-CG 3.47Å
120S79.5Confident88.5Confident67 Ų6731.7 Ų31.747%0.46917%0.167SC..Hα-helixtrans-62.6-35.7174.842.20000112.7T118 Q124T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 2.8Å; T118-S120 PolarHBondContact OG1-OG 3.42Å; S120-Q124 VanDerWaalsContact O-CG 3.27Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.39Å
121Q85.6Confident88.9Confident25 Ų2533.9 Ų33.912%0.11719%0.192CC..Hα-helixtrans-70.7-38.5175.1-71.9162.1-48.200111.6S116 T118 H119 Q124 A125S116-Q121 WeakPolarHBondContact OG-CB 3.45Å; S116-Q121 PolarHBondContact OG-OE1 3.32Å; T118-Q121 PolarHBondContact O-N 3.41Å; T118-Q121 VanDerWaalsContact O-N 3.14Å; T118-Q121 VanDerWaalsContact OG1-CD 3.27Å; T118-Q121 VanDerWaalsContact OG1-CG 3.3Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.28Å; T118-Q121 PolarHBondContact OG1-N 2.87Å; T118-Q121 PolarHBondContact OG1-OE1 3.21Å; H119-Q121 VanDerWaalsContact C-N 3.3Å; H119-Q121 PolarHBondContact O-N 3.45Å; Q121-Q124 PolarHBondContact O-N 3.1Å; Q121-A125 PolarHBondContact O-N 2.8Å
122L90Very high88.9Confident1 Ų131 Ų311%0.00518%0.18CC..Hα-helixtrans-61.2-45.3173.1-61.4174000111.2Y114 T118 H119 Q124 A125 I126 F230 M231 P232Y114-L122 HydrophobicContact CD1-CD2 4.09Å; T118-L122 PolarHBondContact O-N 3.17Å; H119-L122 PolarHBondContact O-N 3.32Å; L122-Q124 VanDerWaalsContact C-N 3.34Å; L122-Q124 PolarHBondContact O-N 3.07Å; L122-A125 PolarHBondContact O-N 3.46Å; L122-I126 WeakPolarHBondContact O-CG1 3.42Å; L122-I126 PolarHBondContact O-N 3.16Å; L122-F230 HydrophobicContact CD2-CB 4.27Å; L122-F230 HydrophobicContact CD2-CD1 4.04Å; L122-M231 VanDerWaalsContact CD1-C 3.49Å; L122-P232 HydrophobicContact CD1-CG 4.17Å
123A87.5Confident88.6Confident15 Ų1534.5 Ų34.512%0.12420%0.201CC..Hα-helixtrans-61.2-41.4175.900000112H119 A125 I126 N127H119-A123 PolarHBondContact O-N 3Å; A123-A125 PolarHBondContact O-N 3.1Å; A123-I126 PolarHBondContact O-N 3.32Å; A123-N127 WeakPolarHBondContact O-CB 3.24Å; A123-N127 VanDerWaalsContact O-CG 3.27Å; A123-N127 PolarHBondContact O-N 3.02Å; A123-N127 PolarHBondContact O-ND2 3.34Å
124Q86.4Confident88.3Confident103 Ų10334.8 Ų34.848%0.48120%0.202SC..Hα-helixtrans-60.9-43.5173.8-74.417111.700112.2S120 Q121 L122 N127 A128 G674S120-Q124 VanDerWaalsContact O-CG 3.27Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.39Å; Q121-Q124 PolarHBondContact O-N 3.1Å; L122-Q124 VanDerWaalsContact C-N 3.34Å; L122-Q124 PolarHBondContact O-N 3.07Å; Q124-N127 PolarHBondContact O-N 3.42Å; Q124-A128 PolarHBondContact O-N 3.2Å; Q124-G674 PolarHBondContact NE2-O 3.13Å
125A90.6Very high87.8Confident1 Ų136.4 Ų36.41%0.00821%0.214CC..Hα-helixtrans-65.3-41.8177.700000112.2T49 L53 Y114 Q121 L122 A123 A128 L129 F230T49-A125 HydrophobicContact CG2-CB 3.67Å; L53-A125 HydrophobicContact CD1-CB 4.37Å; Y114-A125 HydrophobicContact CE1-CB 4.06Å; Q121-A125 PolarHBondContact O-N 2.8Å; L122-A125 PolarHBondContact O-N 3.46Å; A123-A125 PolarHBondContact O-N 3.1Å; A125-A128 PolarHBondContact O-N 2.81Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 3.39Å; A125-F230 HydrophobicContact CB-CE1 3.84Å
126I91.1Very high87Confident1 Ų147 Ų471%0.00525%0.254CS..Hα-helixtrans-64.2-43.3175.2-68.7166.6000110.8L122 A123 A128 L129 K130 V141 I198 D200 F230L122-I126 WeakPolarHBondContact O-CG1 3.42Å; L122-I126 PolarHBondContact O-N 3.16Å; A123-I126 PolarHBondContact O-N 3.32Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.05Å; I126-L129 WeakPolarHBondContact O-CA 3.43Å; I126-L129 WeakPolarHBondContact O-CB 3.33Å; I126-L129 PolarHBondContact O-N 3.35Å; I126-K130 HydrophobicContact CG2-CD 4.42Å; I126-K130 HydrophobicContact CG2-CG 4.46Å; I126-K130 WeakPolarHBondContact O-CG 3.45Å; I126-K130 PolarHBondContact O-N 3.4Å; I126-V141 HydrophobicContact CD1-CB 4.02Å; I126-V141 HydrophobicContact CD1-CG2 4.1Å; I126-I198 HydrophobicContact CG2-CG2 3.61Å; I126-D200 HydrophobicContact CB-CB 4.45Å; I126-D200 HydrophobicContact CD1-CB 4Å; I126-D200 HydrophobicContact CG2-CB 3.92Å; I126-F230 HydrophobicContact CD1-CB 4.3Å; I126-F230 HydrophobicContact CD1-CD1 4.47Å; I126-F230 HydrophobicContact CD1-CD2 4.36Å; I126-F230 HydrophobicContact CD1-CG 4.13Å; I126-F230 HydrophobicContact CG1-CD1 4.06Å; I126-F230 HydrophobicContact CG1-CD2 4.06Å; I126-F230 HydrophobicContact CG1-CE1 4.14Å; I126-F230 HydrophobicContact CG1-CE2 4.14Å; I126-F230 HydrophobicContact CG1-CG 4.01Å; I126-F230 HydrophobicContact CG1-CZ 4.17Å
127N88.8Confident86.3Confident86 Ų8651.1 Ų51.146%0.4627%0.269SS..Hα-helixtrans-63.3-39.1176.7-76-27.9000112.4A123 Q124 L129 K130A123-N127 WeakPolarHBondContact O-CB 3.24Å; A123-N127 VanDerWaalsContact O-CG 3.27Å; A123-N127 PolarHBondContact O-N 3.02Å; A123-N127 PolarHBondContact O-ND2 3.34Å; Q124-N127 PolarHBondContact O-N 3.42Å; N127-L129 VanDerWaalsContact C-N 3.26Å; N127-L129 PolarHBondContact O-N 3.05Å; N127-K130 PolarHBondContact O-N 3.46Å
128A87.6Confident85.9Confident41 Ų4149.4 Ų49.434%0.33927%0.27SS..Hα-helixtrans-61.7-37.4172.200000111.8Q124 A125 I126 G131Q124-A128 PolarHBondContact O-N 3.2Å; A125-A128 PolarHBondContact O-N 2.81Å; I126-A128 VanDerWaalsContact C-N 3.34Å; I126-A128 PolarHBondContact O-N 3.05Å; A128-G131 PolarHBondContact O-N 2.99Å
129L91Very high86.1Confident0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-72-37.7179.6-174.256.8000113.4L53 L57 A125 I126 N127 G131 T132 V139 I198 L228 F230L53-L129 HydrophobicContact CB-CD1 4.36Å; L53-L129 HydrophobicContact CD1-CB 4.15Å; L57-L129 HydrophobicContact CD1-CD1 3.34Å; L57-L129 HydrophobicContact CD1-CD2 3.94Å; L57-L129 HydrophobicContact CD1-CG 4.28Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 3.39Å; I126-L129 WeakPolarHBondContact O-CA 3.43Å; I126-L129 WeakPolarHBondContact O-CB 3.33Å; I126-L129 PolarHBondContact O-N 3.35Å; N127-L129 VanDerWaalsContact C-N 3.26Å; N127-L129 PolarHBondContact O-N 3.05Å; L129-G131 PolarHBondContact O-N 3.25Å; L129-G131 VanDerWaalsContact O-N 3.14Å; L129-T132 WeakPolarHBondContact O-CB 3.06Å; L129-T132 PolarHBondContact O-N 2.89Å; L129-T132 PolarHBondContact O-OG1 2.62Å; L129-V139 HydrophobicContact CD2-CG2 4.15Å; L129-I198 HydrophobicContact CB-CD1 4.32Å; L129-I198 HydrophobicContact CD2-CD1 3.43Å; L129-I198 VanDerWaalsContact CD2-CD1 3.43Å; L129-I198 HydrophobicContact CG-CD1 3.44Å; L129-I198 VanDerWaalsContact CG-CD1 3.44Å; L129-L228 HydrophobicContact CD2-CD2 4.23Å; L129-F230 HydrophobicContact CD2-CE2 4.34Å; L129-F230 HydrophobicContact CD2-CZ 4.28Å
130K89.8Confident86.5Confident67 Ų6745.8 Ų45.829%0.29125%0.251SS..Hα-helixtrans-55.3-28.9175.2-76173.8176.5171.20112.4I126 N127 T132 S135 I198 D200 D203I126-K130 HydrophobicContact CG2-CD 4.42Å; I126-K130 HydrophobicContact CG2-CG 4.46Å; I126-K130 WeakPolarHBondContact O-CG 3.45Å; I126-K130 PolarHBondContact O-N 3.4Å; N127-K130 PolarHBondContact O-N 3.46Å; K130-T132 VanDerWaalsContact C-N 3.26Å; K130-T132 PolarHBondContact O-N 3.37Å; K130-S135 WeakPolarHBondContact O-CB 3.43Å; K130-I198 VanDerWaalsContact CE-O 3.29Å; K130-I198 WeakPolarHBondContact CE-O 3.29Å; K130-I198 HydrophobicContact CG-CB 4.46Å; K130-D200 IonicContact NZ-OD2 3.43Å; K130-D200 PolarHBondContact NZ-OD2 3.27Å; K130-D203 WeakPolarHBondContact CE-OD2 3.35Å; K130-D203 IonicContact NZ-OD2 2.7Å; K130-D203 PolarHBondContact NZ-OD2 3.35Å
131G85.3Confident87.1Confident60 Ų6042.7 Ų42.762%0.61923%0.229SC*.THydrogen-bonded Turntrans-799.7176.100000116.1A128 L129A128-G131 PolarHBondContact O-N 2.99Å; L129-G131 PolarHBondContact O-N 3.25Å; L129-G131 VanDerWaalsContact O-N 3.14Å
132T90.4Very high87.2Confident8 Ų841.7 Ų41.75%0.04923%0.225CC..SBendtrans-119.5169.5-175.773.30000112.7P14 L50 L129 K130 Y134 S135P14-T132 HydrophobicContact CG-CG2 4.3Å; L50-T132 HydrophobicContact CD1-CG2 3.6Å; L129-T132 WeakPolarHBondContact O-CB 3.06Å; L129-T132 PolarHBondContact O-N 2.89Å; L129-T132 PolarHBondContact O-OG1 2.62Å; K130-T132 VanDerWaalsContact C-N 3.26Å; K130-T132 PolarHBondContact O-N 3.37Å; T132-Y134 PolarHBondContact O-N 2.95Å; T132-Y134 PolarHBondContact OG1-N 2.91Å; T132-S135 VanDerWaalsContact O-CB 3.29Å; T132-S135 WeakPolarHBondContact O-CB 3.37Å; T132-S135 PolarHBondContact O-N 3.02Å; T132-S135 PolarHBondContact O-OG 3.47Å
133V89.3Confident86.9Confident75 Ų7541.7 Ų41.746%0.45523%0.225SC..G310 helixtrans-60.3-26.9173.1-172.50000111.6M1 D12 S135M1-V133 HydrophobicContact CE-CG2 3.74Å; M1-V133 HydrophobicContact SD-CG2 3.27Å; M1-V133 WeakPolarHBondContact SD-CG2 3.19Å; D12-V133 HydrophobicContact CB-CB 4.33Å; D12-V133 HydrophobicContact CB-CG2 4.1Å; V133-S135 PolarHBondContact O-N 3.02Å
134Y89.2Confident86.8Confident7 Ų741.6 Ų41.63%0.02722%0.224CC..G310 helixtrans-75.71.6-179.7-50.2-76.2000114.1D12 C54 L57 A58 T132 R136 R137D12-Y134 HydrophobicContact CB-CE2 4.37Å; D12-Y134 PolarHBondContact N-OH 3.17Å; D12-Y134 VanDerWaalsContact O-CE2 3.26Å; D12-Y134 WeakPolarHBondContact O-CE2 3.47Å; C54-Y134 HydrophobicContact CB-CE2 3.94Å; L57-Y134 HydrophobicContact CB-CD1 3.73Å; L57-Y134 HydrophobicContact CB-CD2 4.5Å; L57-Y134 HydrophobicContact CB-CE1 4.1Å; L57-Y134 HydrophobicContact CB-CG 3.96Å; L57-Y134 HydrophobicContact CD1-CD2 4.47Å; L57-Y134 HydrophobicContact CD1-CG 4.02Å; A58-Y134 HydrophobicContact CB-CE1 4.48Å; T132-Y134 PolarHBondContact O-N 2.95Å; T132-Y134 PolarHBondContact OG1-N 2.91Å; Y134-R136 PolarHBondContact O-N 3.48Å; Y134-R137 WeakPolarHBondContact O-CB 3.47Å; Y134-R137 PolarHBondContact O-N 3.18Å
135S85.1Confident86.8Confident35 Ų3537.8 Ų37.825%0.24521%0.205CC..G310 helixtrans-58-12.8177.653.10000115.4K130 T132 V133 G197 I198K130-S135 WeakPolarHBondContact O-CB 3.43Å; T132-S135 VanDerWaalsContact O-CB 3.29Å; T132-S135 WeakPolarHBondContact O-CB 3.37Å; T132-S135 PolarHBondContact O-N 3.02Å; T132-S135 PolarHBondContact O-OG 3.47Å; V133-S135 PolarHBondContact O-N 3.02Å; S135-G197 WeakPolarHBondContact O-CA 3.41Å; S135-I198 WeakPolarHBondContact O-CG1 3.46Å; S135-I198 PolarHBondContact O-N 3.43Å
136R79.6Confident86.4Confident221 Ų22140.6 Ų40.683%0.83422%0.22SC*.G310 helixtrans-99.2-0.3176.5-61.6-177-177.3162.51114.1Y134Y134-R136 PolarHBondContact O-N 3.48Å
137R79Confident86.1Confident87 Ų8743.5 Ų43.533%0.32823%0.233SC..SBendtrans-74.1152.3-179.9-76.7-78175-177.9-6.9111.2L57 D61 Y134 V139L57-R137 HydrophobicContact CD2-CB 4.37Å; L57-R137 HydrophobicContact CD2-CG 4.46Å; D61-R137 VanDerWaalsContact CG-NE 3.34Å; D61-R137 IonicContact OD1-CZ 2.75Å; D61-R137 IonicContact OD1-NE 3.23Å; D61-R137 PolarHBondContact OD1-NE 3.2Å; D61-R137 IonicContact OD1-NH1 3.85Å; D61-R137 PolarHBondContact OD1-NH1 3.29Å; D61-R137 IonicContact OD1-NH2 2.79Å; D61-R137 PolarHBondContact OD1-NH2 3.44Å; D61-R137 IonicContact OD2-CZ 2.73Å; D61-R137 VanDerWaalsContact OD2-CZ 3.23Å; D61-R137 IonicContact OD2-NE 2.71Å; D61-R137 PolarHBondContact OD2-NE 3.35Å; D61-R137 VanDerWaalsContact OD2-NE 3.16Å; D61-R137 IonicContact OD2-NH2 2.63Å; D61-R137 PolarHBondContact OD2-NH2 3.37Å; Y134-R137 WeakPolarHBondContact O-CB 3.47Å; Y134-R137 PolarHBondContact O-N 3.18Å; R137-V139 HydrophobicContact CB-CG2 4.44Å; R137-V139 PolarHBondContact O-N 3.34Å
138S76Confident86.3Confident44 Ų4439.4 Ų39.431%0.30821%0.212SC..  trans-70.495.2175.1-174.10000110.3D225 S227S138-D225 PolarHBondContact OG-O 3.23Å; S138-S227 PolarHBondContact O-N 3.43Å
139V86.3Confident86.6Confident15 Ų1538.4 Ų38.49%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-116.9139.8177.8176.70000108.3L129 R137 I198 L228 F230L129-V139 HydrophobicContact CD2-CG2 4.15Å; R137-V139 HydrophobicContact CB-CG2 4.44Å; R137-V139 PolarHBondContact O-N 3.34Å; V139-I198 HydrophobicContact CB-CD1 4.36Å; V139-I198 HydrophobicContact CB-CG1 3.98Å; V139-I198 HydrophobicContact CB-CG2 4.05Å; V139-I198 HydrophobicContact CG1-CG2 4.02Å; V139-I198 HydrophobicContact CG2-CD1 3.87Å; V139-I198 HydrophobicContact CG2-CG1 3.91Å; V139-L228 WeakPolarHBondContact CA-O 3.37Å; V139-L228 HydrophobicContact CG2-CB 4.3Å; V139-L228 HydrophobicContact CG2-CD2 4.16Å; V139-F230 HydrophobicContact CG1-CD2 3.46Å; V139-F230 VanDerWaalsContact CG1-CD2 3.46Å; V139-F230 HydrophobicContact CG1-CE2 3.34Å
140S89Confident86.7Confident2 Ų239.5 Ų39.51%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-123.7154.9172.968.50000111.7K223 S226 L228 F230S140-K223 WeakPolarHBondContact OG-CA 3.5Å; S140-S226 WeakPolarHBondContact CB-OG 3.42Å; S140-S226 WeakPolarHBondContact OG-CB 3.37Å; S140-S226 PolarHBondContact OG-OG 3.01Å; S140-L228 PolarHBondContact N-O 3.26Å; S140-F230 PolarHBondContact O-N 2.63Å
141V90.9Very high86.8Confident3 Ų336.8 Ų36.82%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-121.8133.3169.264.80000109.4I126 I201 L204 S219 F230I126-V141 HydrophobicContact CD1-CB 4.02Å; I126-V141 HydrophobicContact CD1-CG2 4.1Å; V141-I201 HydrophobicContact CB-CG1 4.41Å; V141-I201 HydrophobicContact CG1-CG1 3.8Å; V141-I201 HydrophobicContact CG2-CD1 3.94Å; V141-I201 HydrophobicContact CG2-CG1 3.67Å; V141-L204 HydrophobicContact CG1-CD1 3.86Å; V141-S219 PolarHBondContact O-OG 3.26Å; V141-F230 WeakPolarHBondContact CA-O 3.47Å; V141-F230 HydrophobicContact CB-CB 4.23Å; V141-F230 HydrophobicContact CG2-CB 4.04Å
142V88.4Confident87Confident3 Ų338 Ų382%0.01819%0.193CC..  trans-97.9119.7177.6-176.80000109.3K223 I229 F230 M231 Y235 Y245V142-K223 HydrophobicContact CG2-CB 4.38Å; V142-K223 HydrophobicContact CG2-CD 3.8Å; V142-K223 HydrophobicContact CG2-CG 3.92Å; V142-I229 HydrophobicContact CG2-CG2 3.79Å; V142-F230 PolarHBondContact N-O 3.47Å; V142-M231 HydrophobicContact CB-CB 4.17Å; V142-M231 HydrophobicContact CG2-CE 4.36Å; V142-Y235 HydrophobicContact CG1-CD1 3.88Å; V142-Y235 HydrophobicContact CG1-CE1 3.76Å; V142-Y245 HydrophobicContact CG1-CD1 4.02Å; V142-Y245 HydrophobicContact CG1-CE1 4.31Å
143G84.4Confident86.7Confident1 Ų142 Ų421%0.0121%0.214CC..  trans-116.7158.9176.800000113
144S84.7Confident86.5Confident14 Ų1438.6 Ų38.610%0.09819%0.193CC..  trans-79.8167.1174.183.50000111.5D146 Q147 L148 Y235S144-D146 PolarHBondContact O-N 3.03Å; S144-D146 WeakPolarHBondContact OG-CB 3.48Å; S144-D146 PolarHBondContact OG-N 3.26Å; S144-D146 VanDerWaalsContact OG-N 3.1Å; S144-D146 PolarHBondContact OG-OD2 2.77Å; S144-Q147 PolarHBondContact O-N 2.73Å; S144-Q147 VanDerWaalsContact O-N 3.16Å; S144-L148 PolarHBondContact O-N 3.08Å; S144-L148 VanDerWaalsContact O-N 3.1Å; S144-Y235 VanDerWaalsContact CB-OH 3.31Å; S144-Y235 WeakPolarHBondContact CB-OH 3.4Å
145R86Confident86.4Confident22 Ų2241 Ų418%0.08321%0.209CC..Hα-helixtrans-61.4-24.5170.3-72.1177.7178.576.14.3112.8Q147 C149 C167 Y216R145-Q147 PolarHBondContact O-N 3.4Å; R145-C149 WeakPolarHBondContact O-CB 3.45Å; R145-C149 PolarHBondContact O-N 3.13Å; R145-C149 VanDerWaalsContact O-N 3.1Å; R145-C167 PolarHBondContact NE-SG 3.48Å; R145-C167 VanDerWaalsContact NE-SG 3.36Å; R145-Y216 HydrophobicContact CG-CD1 4.33Å; R145-Y216 HydrophobicContact CG-CD2 3.79Å; R145-Y216 HydrophobicContact CG-CE1 4.29Å; R145-Y216 HydrophobicContact CG-CE2 3.74Å; R145-Y216 HydrophobicContact CG-CG 4.1Å; R145-Y216 VanDerWaalsContact CZ-CZ 3.41Å; R145-Y216 VanDerWaalsContact CZ-OH 3.27Å; R145-Y216 PolarHBondContact NH1-OH 3.3Å; R145-Y216 VanDerWaalsContact NH2-CE1 3.31Å; R145-Y216 PolarHBondContact NH2-OH 3.03Å
146D82.8Confident86.3Confident60 Ų6043.5 Ų43.532%0.32123%0.226SC..Hα-helixtrans-65.1-28.3176.8-60.2-46.1000112.7S144 N160 K163S144-D146 PolarHBondContact O-N 3.03Å; S144-D146 WeakPolarHBondContact OG-CB 3.48Å; S144-D146 PolarHBondContact OG-N 3.26Å; S144-D146 VanDerWaalsContact OG-N 3.1Å; S144-D146 PolarHBondContact OG-OD2 2.77Å; D146-N160 PolarHBondContact OD1-OD1 3.1Å; D146-N160 PolarHBondContact OD2-ND2 3.03Å; D146-N160 PolarHBondContact OD2-OD1 3.16Å; D146-N160 VanDerWaalsContact OD2-OD1 3.07Å; D146-K163 WeakPolarHBondContact OD1-CD 2.79Å; D146-K163 WeakPolarHBondContact OD1-CE 2.97Å; D146-K163 IonicContact OD1-NZ 2.91Å; D146-K163 PolarHBondContact OD1-NZ 3.16Å
147Q84.7Confident86.1Confident63 Ų6335.7 Ų35.729%0.29420%0.201SC..Hα-helixtrans-99.4-35.4-174.9-66.7161.7-17.100112.3H119 S144 R145 I201H119-Q147 PolarHBondContact CD2-NE2 3.14Å; H119-Q147 PolarHBondContact CE1-NE2 3.29Å; H119-Q147 VanDerWaalsContact CE1-NE2 3.32Å; H119-Q147 PolarHBondContact CE1-OE1 3.27Å; H119-Q147 VanDerWaalsContact CG-NE2 3.26Å; H119-Q147 PolarHBondContact ND1-NE2 2.93Å; H119-Q147 PolarHBondContact ND1-OE1 2.88Å; H119-Q147 PolarHBondContact NE2-NE2 3.2Å; H119-Q147 PolarHBondContact NE2-OE1 3.17Å; S144-Q147 PolarHBondContact O-N 2.73Å; S144-Q147 VanDerWaalsContact O-N 3.16Å; R145-Q147 PolarHBondContact O-N 3.4Å; Q147-I201 HydrophobicContact CB-CG2 4.02Å
148L91.8Very high85.6Confident0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-108.4-3.6-169.3-67.7176.7000113.9S144 I201 L204 P215S144-L148 PolarHBondContact O-N 3.08Å; S144-L148 VanDerWaalsContact O-N 3.1Å; L148-I201 HydrophobicContact CD2-CG2 3.84Å; L148-I201 HydrophobicContact CG-CG2 4.41Å; L148-L204 HydrophobicContact CD2-CB 4.15Å; L148-P215 HydrophobicContact CB-CB 4.12Å; L148-P215 HydrophobicContact CD2-CB 3.86Å; L148-P215 VanDerWaalsContact O-CD 3.31Å; L148-P215 WeakPolarHBondContact O-CD 3.27Å; L148-P215 WeakPolarHBondContact O-CG 3.42Å
149C94.2Very high84.9Confident20 Ų2040 Ų4014%0.13523%0.225CC..  trans-82.3129.6174.5-169.80000110.6R145 T155R145-C149 WeakPolarHBondContact O-CB 3.45Å; R145-C149 PolarHBondContact O-N 3.13Å; R145-C149 VanDerWaalsContact O-N 3.1Å; C149-T155 HydrophobicContact CB-CG2 4.06Å; C149-T155 WeakPolarHBondContact O-CG2 3.27Å
150L94.2Very high83.9Confident22 Ų2243.2 Ų43.212%0.11524%0.241CC..  trans-102.8-2.5179.6-59.5-180000113.4P152 Y178 G208 Q209 P215L150-P152 WeakPolarHBondContact O-CD 3.36Å; L150-Y178 HydrophobicContact CB-CD1 4.02Å; L150-Y178 HydrophobicContact CB-CE1 3.64Å; L150-Y178 HydrophobicContact CB-CE2 4.25Å; L150-Y178 HydrophobicContact CB-CG 4.46Å; L150-Y178 HydrophobicContact CD1-CD1 3.82Å; L150-Y178 HydrophobicContact CD1-CE1 3.59Å; L150-Y178 HydrophobicContact CG-CD1 4.5Å; L150-Y178 HydrophobicContact CG-CE1 4.27Å; L150-G208 VanDerWaalsContact CD1-C 3.43Å; L150-Q209 HydrophobicContact CD1-CB 4.36Å; L150-Q209 HydrophobicContact CD1-CG 3.7Å; L150-Q209 HydrophobicContact CD2-CG 3.7Å; L150-Q209 HydrophobicContact CG-CG 4.27Å; L150-P215 HydrophobicContact CD1-CG 3.57Å; L150-P215 HydrophobicContact CD2-CG 4.3Å; L150-P215 HydrophobicContact CG-CG 3.78Å
151L92.4Very high82.6Confident11 Ų1144.8 Ų44.86%0.05825%0.252CS..  trans-87.3113.1-174.1-148.984.3000109.9D153 V154 T155 E177 Y178L151-D153 VanDerWaalsContact C-N 3.3Å; L151-D153 PolarHBondContact O-N 2.98Å; L151-V154 HydrophobicContact CB-CB 4.32Å; L151-V154 HydrophobicContact CB-CG2 4.21Å; L151-V154 HydrophobicContact CD2-CG2 3.8Å; L151-V154 PolarHBondContact O-N 3.36Å; L151-T155 PolarHBondContact O-N 3.5Å; L151-T155 PolarHBondContact O-OG1 3.1Å; L151-E177 HydrophobicContact CD1-CG 4.39Å; L151-Y178 HydrophobicContact CD1-CD2 3.5Å; L151-Y178 VanDerWaalsContact CD1-CD2 3.5Å; L151-Y178 HydrophobicContact CD1-CE2 3.68Å
152P89.1Confident81.3Confident86 Ų8646.3 Ų46.356%0.55827%0.265SS*.Hα-helixtrans-53.3-44.4-174.3-29.637.6000113.4L150 V154 T155 S156L150-P152 WeakPolarHBondContact O-CD 3.36Å; P152-V154 PolarHBondContact O-N 2.85Å; P152-T155 VanDerWaalsContact CA-OG1 3.24Å; P152-T155 WeakPolarHBondContact CA-OG1 2.99Å; P152-T155 PolarHBondContact O-N 3.27Å; P152-T155 PolarHBondContact O-OG1 3.23Å; P152-S156 WeakPolarHBondContact O-CB 3.47Å; P152-S156 PolarHBondContact O-N 3.42Å; P152-S156 PolarHBondContact O-OG 3.26Å; P152-S156 VanDerWaalsContact O-OG 3.08Å
153D83.7Confident80.7Confident92 Ų9247.6 Ų47.649%0.49227%0.27SS..Hα-helixtrans-59.7-27.8179-60.3-10000114.2L151 S156 R170L151-D153 VanDerWaalsContact C-N 3.3Å; L151-D153 PolarHBondContact O-N 2.98Å; D153-S156 PolarHBondContact O-OG 2.99Å; D153-R170 IonicContact OD2-CZ 3.19Å; D153-R170 IonicContact OD2-NH1 3.47Å; D153-R170 PolarHBondContact OD2-NH1 2.85Å; D153-R170 IonicContact OD2-NH2 3.84Å; D153-R170 PolarHBondContact OD2-NH2 3.46Å
154V84Confident80.3Confident2 Ų249.9 Ų49.91%0.01228%0.282CS..Hα-helixtrans-88.7-45.8175.61780000108.9L151 P152 S156 L157 K163 A166 C167L151-V154 HydrophobicContact CB-CB 4.32Å; L151-V154 HydrophobicContact CB-CG2 4.21Å; L151-V154 HydrophobicContact CD2-CG2 3.8Å; L151-V154 PolarHBondContact O-N 3.36Å; P152-V154 PolarHBondContact O-N 2.85Å; V154-S156 PolarHBondContact O-N 2.95Å; V154-L157 WeakPolarHBondContact O-CB 3.46Å; V154-L157 WeakPolarHBondContact O-CG 3.18Å; V154-L157 PolarHBondContact O-N 2.91Å; V154-L157 VanDerWaalsContact O-N 3.16Å; V154-K163 HydrophobicContact CG1-CB 4.07Å; V154-K163 HydrophobicContact CG1-CG 4.37Å; V154-K163 WeakPolarHBondContact O-CG 3.46Å; V154-A166 HydrophobicContact CG2-CB 4.06Å; V154-C167 HydrophobicContact CG1-CB 4.43Å
155T87.5Confident79.5Confident57 Ų5750.5 Ų50.535%0.3528%0.282SS..Hα-helixtrans-63.5-28.6-177.355.70000113.9C149 L151 P152 L157C149-T155 HydrophobicContact CB-CG2 4.06Å; C149-T155 WeakPolarHBondContact O-CG2 3.27Å; L151-T155 PolarHBondContact O-N 3.5Å; L151-T155 PolarHBondContact O-OG1 3.1Å; P152-T155 VanDerWaalsContact CA-OG1 3.24Å; P152-T155 WeakPolarHBondContact CA-OG1 2.99Å; P152-T155 PolarHBondContact O-N 3.27Å; P152-T155 PolarHBondContact O-OG1 3.23Å; T155-L157 VanDerWaalsContact C-N 3.28Å; T155-L157 PolarHBondContact O-N 3.29Å
156S84.3Confident78.9Confident88 Ų8850.3 Ų50.362%0.61529%0.286SS*.THydrogen-bonded Turntrans-74.4-14.3178.862.80000113.9P152 D153 V154P152-S156 WeakPolarHBondContact O-CB 3.47Å; P152-S156 PolarHBondContact O-N 3.42Å; P152-S156 PolarHBondContact O-OG 3.26Å; P152-S156 VanDerWaalsContact O-OG 3.08Å; D153-S156 PolarHBondContact O-OG 2.99Å; V154-S156 PolarHBondContact O-N 2.95Å
157L74.8Confident79.1Confident58 Ų5848 Ų4830%0.30427%0.274SS..  trans-68133.8176.7-59.8172.7000110V154 T155 A162 K163 A166V154-L157 WeakPolarHBondContact O-CB 3.46Å; V154-L157 WeakPolarHBondContact O-CG 3.18Å; V154-L157 PolarHBondContact O-N 2.91Å; V154-L157 VanDerWaalsContact O-N 3.16Å; T155-L157 VanDerWaalsContact C-N 3.28Å; T155-L157 PolarHBondContact O-N 3.29Å; L157-A162 HydrophobicContact CB-CB 4.23Å; L157-A162 HydrophobicContact CD1-CB 4.21Å; L157-A162 WeakPolarHBondContact CD1-O 3.21Å; L157-K163 HydrophobicContact CB-CG 3.88Å; L157-K163 WeakPolarHBondContact O-CE 3.38Å; L157-A166 HydrophobicContact CD1-CB 3.55Å
158E68.2Low79Confident181 Ų18150.2 Ų50.285%0.84628%0.28SS*.SBendtrans-73.6-33.2-175.1-65.7178.3178.800113.3
159S60.8Low78.1Confident41 Ų4152 Ų5229%0.28729%0.288SS..  trans-97.2133-174.81720000112S161 A162 K163S159-S161 PolarHBondContact O-N 3.27Å; S159-S161 PolarHBondContact OG-N 3.34Å; S159-A162 WeakPolarHBondContact O-CA 3.42Å; S159-A162 WeakPolarHBondContact O-CB 3.48Å; S159-A162 PolarHBondContact O-N 3.02Å; S159-K163 WeakPolarHBondContact O-CG 3.35Å; S159-K163 PolarHBondContact O-N 3.23Å
160N66.3Low77.7Confident82 Ų8254.5 Ų54.544%0.43930%0.295SS..Hα-helixtrans-57.2-37.6173.3-72.59.2000112.4D146 A162 K163 I164D146-N160 PolarHBondContact OD1-OD1 3.1Å; D146-N160 PolarHBondContact OD2-ND2 3.03Å; D146-N160 PolarHBondContact OD2-OD1 3.16Å; D146-N160 VanDerWaalsContact OD2-OD1 3.07Å; N160-A162 VanDerWaalsContact C-N 3.35Å; N160-K163 PolarHBondContact O-N 3.25Å; N160-I164 WeakPolarHBondContact O-CB 3.47Å; N160-I164 WeakPolarHBondContact O-CD1 3.38Å; N160-I164 WeakPolarHBondContact O-CG1 3.48Å; N160-I164 PolarHBondContact O-N 3.45Å
161S61.1Low77.4Confident35 Ų3554.7 Ų54.725%0.24530%0.297CS..Hα-helixtrans-62.9-42.8175-480000111.1S159 K163 I164 Y165S159-S161 PolarHBondContact O-N 3.27Å; S159-S161 PolarHBondContact OG-N 3.34Å; S161-K163 PolarHBondContact O-N 3.45Å; S161-I164 PolarHBondContact O-N 3.47Å; S161-Y165 VanDerWaalsContact O-CB 3.26Å; S161-Y165 WeakPolarHBondContact O-CB 3.19Å; S161-Y165 PolarHBondContact O-N 2.95Å
162A64.5Low76.8Confident35 Ų3560.6 Ų60.629%0.28932%0.324SS..Hα-helixtrans-63.8-40.1175.200000111.9L157 S159 N160 Y165 A166L157-A162 HydrophobicContact CB-CB 4.23Å; L157-A162 HydrophobicContact CD1-CB 4.21Å; L157-A162 WeakPolarHBondContact CD1-O 3.21Å; S159-A162 WeakPolarHBondContact O-CA 3.42Å; S159-A162 WeakPolarHBondContact O-CB 3.48Å; S159-A162 PolarHBondContact O-N 3.02Å; N160-A162 VanDerWaalsContact C-N 3.35Å; A162-Y165 PolarHBondContact O-N 3.41Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.49Å
163K76.3Confident76.5Confident29 Ų2960.3 Ų60.313%0.12632%0.321CS..Hα-helixtrans-63.7-47.4174.7-66.7-179-174.31790112.8D146 V154 L157 S159 N160 S161 Y165 C167D146-K163 WeakPolarHBondContact OD1-CD 2.79Å; D146-K163 WeakPolarHBondContact OD1-CE 2.97Å; D146-K163 IonicContact OD1-NZ 2.91Å; D146-K163 PolarHBondContact OD1-NZ 3.16Å; V154-K163 HydrophobicContact CG1-CB 4.07Å; V154-K163 HydrophobicContact CG1-CG 4.37Å; V154-K163 WeakPolarHBondContact O-CG 3.46Å; L157-K163 HydrophobicContact CB-CG 3.88Å; L157-K163 WeakPolarHBondContact O-CE 3.38Å; S159-K163 WeakPolarHBondContact O-CG 3.35Å; S159-K163 PolarHBondContact O-N 3.23Å; N160-K163 PolarHBondContact O-N 3.25Å; S161-K163 PolarHBondContact O-N 3.45Å; K163-Y165 VanDerWaalsContact C-N 3.29Å; K163-Y165 PolarHBondContact O-N 2.87Å; K163-C167 WeakPolarHBondContact O-CB 3.5Å; K163-C167 PolarHBondContact O-N 3.28Å
164I75.1Confident76.7Confident49 Ų4963.7 Ų63.725%0.25133%0.327SS..Hα-helixtrans-57.7-48177.4-69.9163.5000109.6N160 S161 C167 R168N160-I164 WeakPolarHBondContact O-CB 3.47Å; N160-I164 WeakPolarHBondContact O-CD1 3.38Å; N160-I164 WeakPolarHBondContact O-CG1 3.48Å; N160-I164 PolarHBondContact O-N 3.45Å; S161-I164 PolarHBondContact O-N 3.47Å; I164-C167 PolarHBondContact O-N 2.93Å; I164-R168 HydrophobicContact CG2-CG 4.45Å; I164-R168 WeakPolarHBondContact O-CB 3.38Å; I164-R168 WeakPolarHBondContact O-CG 3.45Å; I164-R168 PolarHBondContact O-N 2.79Å
165Y67Low76.9Confident27 Ų2767.6 Ų67.611%0.10635%0.351CS..Hα-helixtrans-62.9-54.3179.4169-114.3000112.7S161 A162 K163 C167 R168 M169 N408S161-Y165 VanDerWaalsContact O-CB 3.26Å; S161-Y165 WeakPolarHBondContact O-CB 3.19Å; S161-Y165 PolarHBondContact O-N 2.95Å; A162-Y165 PolarHBondContact O-N 3.41Å; K163-Y165 VanDerWaalsContact C-N 3.29Å; K163-Y165 PolarHBondContact O-N 2.87Å; Y165-C167 PolarHBondContact O-N 3.03Å; Y165-R168 WeakPolarHBondContact O-CB 3.46Å; Y165-R168 PolarHBondContact O-N 3.39Å; Y165-M169 HydrophobicContact CD2-CG 3.83Å; Y165-M169 HydrophobicContact CE1-CG 4.3Å; Y165-M169 HydrophobicContact CE2-CG 3.12Å; Y165-M169 HydrophobicContact CE2-SD 3.71Å; Y165-M169 VanDerWaalsContact CZ-CG 3.46Å; Y165-M169 PolarHBondContact O-N 2.84Å; Y165-N408 HydrophobicContact CD2-CB 3.63Å; Y165-N408 WeakPolarHBondContact CD2-OD1 3.25Å; Y165-N408 HydrophobicContact CE2-CB 3.19Å; Y165-N408 WeakPolarHBondContact CE2-O 3.34Å; Y165-N408 WeakPolarHBondContact CE2-OD1 3.24Å; Y165-N408 VanDerWaalsContact OH-C 3.28Å; Y165-N408 WeakPolarHBondContact OH-CA 3.43Å; Y165-N408 PolarHBondContact OH-O 3.28Å
166A74.8Confident77.2Confident19 Ų1965.4 Ų65.416%0.15734%0.338CS..Hα-helixtrans-58-38.2179.100000111.9V154 L157 A162 R170V154-A166 HydrophobicContact CG2-CB 4.06Å; L157-A166 HydrophobicContact CD1-CB 3.55Å; A162-A166 VanDerWaalsContact O-CB 3.3Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.49Å; A166-R170 WeakPolarHBondContact O-CB 3.25Å; A166-R170 VanDerWaalsContact O-CG 3.31Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 2.85Å
167C86.5Confident77.6Confident12 Ų1265 Ų658%0.08133%0.327CS..Hα-helixtrans-63.8-49.7172.3177.40000111.9R145 V154 K163 I164 Y165 M169 R170 V171R145-C167 PolarHBondContact NE-SG 3.48Å; R145-C167 VanDerWaalsContact NE-SG 3.36Å; V154-C167 HydrophobicContact CG1-CB 4.43Å; K163-C167 WeakPolarHBondContact O-CB 3.5Å; K163-C167 PolarHBondContact O-N 3.28Å; I164-C167 PolarHBondContact O-N 2.93Å; Y165-C167 PolarHBondContact O-N 3.03Å; C167-M169 VanDerWaalsContact C-N 3.34Å; C167-M169 PolarHBondContact O-N 3.29Å; C167-R170 PolarHBondContact O-N 3.26Å; C167-V171 WeakPolarHBondContact O-CB 3.43Å; C167-V171 WeakPolarHBondContact O-CG2 3.34Å; C167-V171 PolarHBondContact O-N 3.3Å
168R82.5Confident78.6Confident109 Ų10964 Ų6441%0.41132%0.319SS..Hα-helixtrans-56.8-46.4177.9-78.7178.2179.6178.80.5111.5I164 Y165 R170 V171 Q172I164-R168 HydrophobicContact CG2-CG 4.45Å; I164-R168 WeakPolarHBondContact O-CB 3.38Å; I164-R168 WeakPolarHBondContact O-CG 3.45Å; I164-R168 PolarHBondContact O-N 2.79Å; Y165-R168 WeakPolarHBondContact O-CB 3.46Å; Y165-R168 PolarHBondContact O-N 3.39Å; R168-R170 PolarHBondContact O-N 3.28Å; R168-V171 WeakPolarHBondContact O-CB 3.45Å; R168-V171 PolarHBondContact O-N 2.92Å; R168-Q172 WeakPolarHBondContact O-CB 3.24Å; R168-Q172 WeakPolarHBondContact O-CG 3.37Å; R168-Q172 PolarHBondContact O-N 3.2Å
169M73.2Confident79.8Confident36 Ų3656.5 Ų56.518%0.17728%0.283CS..Hα-helixtrans-62.1-45.5177.9-71.5-52.5-69.200112.7Y165 C167 V171 Q172 T173 N408Y165-M169 HydrophobicContact CD2-CG 3.83Å; Y165-M169 HydrophobicContact CE1-CG 4.3Å; Y165-M169 HydrophobicContact CE2-CG 3.12Å; Y165-M169 HydrophobicContact CE2-SD 3.71Å; Y165-M169 VanDerWaalsContact CZ-CG 3.46Å; Y165-M169 PolarHBondContact O-N 2.84Å; C167-M169 VanDerWaalsContact C-N 3.34Å; C167-M169 PolarHBondContact O-N 3.29Å; M169-V171 PolarHBondContact O-N 2.72Å; M169-Q172 PolarHBondContact O-N 3.15Å; M169-T173 WeakPolarHBondContact O-CB 3.46Å; M169-T173 WeakPolarHBondContact O-CG2 3.43Å; M169-T173 PolarHBondContact O-N 3.04Å; M169-T173 PolarHBondContact O-OG1 3.18Å; M169-N408 WeakPolarHBondContact CE-O 3.39Å
170R84.7Confident81.4Confident73 Ų7360.8 Ų60.828%0.27529%0.293SS..Hα-helixtrans-68.2-26.1178.9-68.2-174.3-179-130.96.7113.3D153 A166 C167 R168 R174 T175 C176D153-R170 IonicContact OD2-CZ 3.19Å; D153-R170 IonicContact OD2-NH1 3.47Å; D153-R170 PolarHBondContact OD2-NH1 2.85Å; D153-R170 IonicContact OD2-NH2 3.84Å; D153-R170 PolarHBondContact OD2-NH2 3.46Å; A166-R170 WeakPolarHBondContact O-CB 3.25Å; A166-R170 VanDerWaalsContact O-CG 3.31Å; A166-R170 WeakPolarHBondContact O-CG 3.38Å; A166-R170 PolarHBondContact O-N 2.85Å; C167-R170 PolarHBondContact O-N 3.26Å; R168-R170 PolarHBondContact O-N 3.28Å; R170-R174 CarbonylContact O-C 3.57Å; R170-R174 WeakPolarHBondContact O-CA 3.45Å; R170-R174 PolarHBondContact O-N 2.91Å; R170-T175 VanDerWaalsContact CA-OG1 3.27Å; R170-T175 WeakPolarHBondContact CA-OG1 3.42Å; R170-T175 WeakPolarHBondContact CB-OG1 3.08Å; R170-T175 PolarHBondContact O-N 3.05Å; R170-T175 PolarHBondContact O-OG1 3.27Å; R170-C176 HydrophobicContact CB-CB 3.79Å; R170-C176 PolarHBondContact O-N 3.06Å
171V87.8Confident82.7Confident26 Ų2659.5 Ų59.516%0.15829%0.287CS..Hα-helixtrans-74.1-49.9173.4167.70000110.4C167 R168 M169 T173 R174 F179 F217C167-V171 WeakPolarHBondContact O-CB 3.43Å; C167-V171 WeakPolarHBondContact O-CG2 3.34Å; C167-V171 PolarHBondContact O-N 3.3Å; R168-V171 WeakPolarHBondContact O-CB 3.45Å; R168-V171 PolarHBondContact O-N 2.92Å; M169-V171 PolarHBondContact O-N 2.72Å; V171-T173 PolarHBondContact O-N 2.99Å; V171-R174 PolarHBondContact O-N 3.38Å; V171-R174 VanDerWaalsContact O-N 3.08Å; V171-F179 HydrophobicContact CB-CD1 4.29Å; V171-F179 HydrophobicContact CB-CE1 4.5Å; V171-F179 HydrophobicContact CB-CG 4.45Å; V171-F179 HydrophobicContact CG1-CD1 3.92Å; V171-F179 HydrophobicContact CG1-CD2 4.3Å; V171-F179 HydrophobicContact CG1-CE1 3.67Å; V171-F179 HydrophobicContact CG1-CE2 4.04Å; V171-F179 HydrophobicContact CG1-CG 4.24Å; V171-F179 HydrophobicContact CG1-CZ 3.73Å; V171-F179 HydrophobicContact CG2-CB 4.13Å; V171-F179 HydrophobicContact CG2-CD1 4.16Å; V171-F179 HydrophobicContact CG2-CD2 4.1Å; V171-F179 HydrophobicContact CG2-CG 3.84Å; V171-F217 HydrophobicContact CB-CZ 4.48Å; V171-F217 HydrophobicContact CG1-CZ 4.04Å; V171-F217 HydrophobicContact CG2-CE2 3.54Å; V171-F217 HydrophobicContact CG2-CZ 3.73Å
172Q81.4Confident84.2Confident135 Ų13558.1 Ų58.163%0.63128%0.276SS*.Hα-helixtrans-61.6-43.9179.2-74.7172.1-26.900112.1R168 M169 R174R168-Q172 WeakPolarHBondContact O-CB 3.24Å; R168-Q172 WeakPolarHBondContact O-CG 3.37Å; R168-Q172 PolarHBondContact O-N 3.2Å; M169-Q172 PolarHBondContact O-N 3.15Å; Q172-R174 PolarHBondContact O-N 3.38Å
173T82.6Confident85.5Confident80 Ų8059.7 Ų59.749%0.49128%0.28SS..THydrogen-bonded Turntrans-79.8-0.6176.259.50000113.6M169 V171 T175M169-T173 WeakPolarHBondContact O-CB 3.46Å; M169-T173 WeakPolarHBondContact O-CG2 3.43Å; M169-T173 PolarHBondContact O-N 3.04Å; M169-T173 PolarHBondContact O-OG1 3.18Å; V171-T173 PolarHBondContact O-N 2.99Å; T173-T175 PolarHBondContact O-N 3.5Å; T173-T175 VanDerWaalsContact O-N 3.1Å; T173-T175 WeakPolarHBondContact OG1-CG2 3.46Å; T173-T175 PolarHBondContact OG1-OG1 3.36Å
174R88Confident86.2Confident163 Ų16362.6 Ų62.662%0.61530%0.303SS*.THydrogen-bonded Turntrans51.928.5-175-68-175.6154.5151.4-5.5114.8R170 V171 Q172 D183R170-R174 CarbonylContact O-C 3.57Å; R170-R174 WeakPolarHBondContact O-CA 3.45Å; R170-R174 PolarHBondContact O-N 2.91Å; V171-R174 PolarHBondContact O-N 3.38Å; V171-R174 VanDerWaalsContact O-N 3.08Å; Q172-R174 PolarHBondContact O-N 3.38Å; R174-D183 IonicContact NH2-OD2 3.23Å
175T88.5Confident86.9Confident84 Ų8465.9 Ų65.952%0.51532%0.316SS..  trans-88.4-12.3177.753.90000113.5R170 T173 E177R170-T175 VanDerWaalsContact CA-OG1 3.27Å; R170-T175 WeakPolarHBondContact CA-OG1 3.42Å; R170-T175 WeakPolarHBondContact CB-OG1 3.08Å; R170-T175 PolarHBondContact O-N 3.05Å; R170-T175 PolarHBondContact O-OG1 3.27Å; T173-T175 PolarHBondContact O-N 3.5Å; T173-T175 VanDerWaalsContact O-N 3.1Å; T173-T175 WeakPolarHBondContact OG1-CG2 3.46Å; T173-T175 PolarHBondContact OG1-OG1 3.36Å; T175-E177 PolarHBondContact O-N 3.24Å
176C92.5Very high88Confident12 Ų1269.6 Ų69.68%0.08133%0.33CS..  trans-78110.3173.4-177.90000111.1R170 Y178 F179 R180R170-C176 HydrophobicContact CB-CB 3.79Å; R170-C176 PolarHBondContact O-N 3.06Å; C176-Y178 VanDerWaalsContact C-N 3.31Å; C176-Y178 PolarHBondContact O-N 3.4Å; C176-F179 HydrophobicContact CB-CB 3.87Å; C176-F179 PolarHBondContact O-N 2.87Å; C176-F179 PolarHBondContact SG-N 3.11Å; C176-F179 VanDerWaalsContact SG-N 3.44Å; C176-R180 PolarHBondContact O-N 3.08Å
177E93.4Very high88.6Confident80 Ų8074.5 Ų74.537%0.37435%0.353SS..Hα-helixtrans-57.7-42.2178.164.4176.1172.200112.6L151 T175 F179 R180 N181L151-E177 HydrophobicContact CD1-CG 4.39Å; T175-E177 PolarHBondContact O-N 3.24Å; E177-F179 PolarHBondContact O-N 3.06Å; E177-R180 PolarHBondContact O-N 3.39Å; E177-N181 WeakPolarHBondContact O-CB 3.48Å; E177-N181 PolarHBondContact O-N 3.15Å; E177-N181 PolarHBondContact O-ND2 3.47Å
178Y95.6Very high88.8Confident36 Ų3679.4 Ų79.414%0.14138%0.375CS..Hα-helixtrans-65.4-40-178.9-68.7-90.7000111.6L150 L151 C176 F182 C213 C214L150-Y178 HydrophobicContact CB-CD1 4.02Å; L150-Y178 HydrophobicContact CB-CE1 3.64Å; L150-Y178 HydrophobicContact CB-CE2 4.25Å; L150-Y178 HydrophobicContact CB-CG 4.46Å; L150-Y178 HydrophobicContact CD1-CD1 3.82Å; L150-Y178 HydrophobicContact CD1-CE1 3.59Å; L150-Y178 HydrophobicContact CG-CD1 4.5Å; L150-Y178 HydrophobicContact CG-CE1 4.27Å; L151-Y178 HydrophobicContact CD1-CD2 3.5Å; L151-Y178 VanDerWaalsContact CD1-CD2 3.5Å; L151-Y178 HydrophobicContact CD1-CE2 3.68Å; C176-Y178 VanDerWaalsContact C-N 3.31Å; C176-Y178 PolarHBondContact O-N 3.4Å; Y178-F182 WeakPolarHBondContact O-CB 3.44Å; Y178-F182 PolarHBondContact O-N 3.36Å; Y178-F182 VanDerWaalsContact O-N 3.16Å; Y178-C213 WeakPolarHBondContact CD1-O 3.46Å; Y178-C213 CarbonylContact O-C 3.52Å; Y178-C213 WeakPolarHBondContact O-CA 3.46Å; Y178-C214 PolarHBondContact O-N 3.42Å
179F94.4Very high89Confident23 Ų2374.5 Ų74.510%0.10136%0.357CS..Hα-helixtrans-69.9-45177.6176.5-104.3000110.9V171 C176 E177 N181 F182 D183 F217V171-F179 HydrophobicContact CB-CD1 4.29Å; V171-F179 HydrophobicContact CB-CE1 4.5Å; V171-F179 HydrophobicContact CB-CG 4.45Å; V171-F179 HydrophobicContact CG1-CD1 3.92Å; V171-F179 HydrophobicContact CG1-CD2 4.3Å; V171-F179 HydrophobicContact CG1-CE1 3.67Å; V171-F179 HydrophobicContact CG1-CE2 4.04Å; V171-F179 HydrophobicContact CG1-CG 4.24Å; V171-F179 HydrophobicContact CG1-CZ 3.73Å; V171-F179 HydrophobicContact CG2-CB 4.13Å; V171-F179 HydrophobicContact CG2-CD1 4.16Å; V171-F179 HydrophobicContact CG2-CD2 4.1Å; V171-F179 HydrophobicContact CG2-CG 3.84Å; C176-F179 HydrophobicContact CB-CB 3.87Å; C176-F179 PolarHBondContact O-N 2.87Å; C176-F179 PolarHBondContact SG-N 3.11Å; C176-F179 VanDerWaalsContact SG-N 3.44Å; E177-F179 PolarHBondContact O-N 3.06Å; F179-N181 VanDerWaalsContact C-N 3.3Å; F179-N181 PolarHBondContact O-N 3.22Å; F179-F182 HydrophobicContact CD2-CD1 4.33Å; F179-F182 HydrophobicContact CE2-CD1 4.34Å; F179-F182 WeakPolarHBondContact O-CB 3.27Å; F179-F182 PolarHBondContact O-N 3.46Å; F179-F182 VanDerWaalsContact O-N 3.14Å; F179-D183 HydrophobicContact CE1-CB 4.33Å; F179-D183 HydrophobicContact CZ-CB 4.37Å; F179-D183 WeakPolarHBondContact O-CB 3.16Å; F179-D183 PolarHBondContact O-N 3.33Å; F179-F217 HydrophobicContact CD2-CB 4.41Å; F179-F217 HydrophobicContact CD2-CD1 4.22Å; F179-F217 AromaticContact CD2-CD2 3.42Å; F179-F217 HydrophobicContact CD2-CD2 3.42Å; F179-F217 VanDerWaalsContact CD2-CD2 3.42Å; F179-F217 HydrophobicContact CD2-CE1 4.32Å; F179-F217 AromaticContact CD2-CE2 3.57Å; F179-F217 HydrophobicContact CD2-CE2 3.57Å; F179-F217 AromaticContact CD2-CG 3.77Å; F179-F217 HydrophobicContact CD2-CG 3.77Å; F179-F217 HydrophobicContact CD2-CZ 4.02Å; F179-F217 AromaticContact CE2-CD1 3.86Å; F179-F217 HydrophobicContact CE2-CD1 3.86Å; F179-F217 AromaticContact CE2-CD2 3.93Å; F179-F217 HydrophobicContact CE2-CD2 3.93Å; F179-F217 AromaticContact CE2-CE1 3.9Å; F179-F217 HydrophobicContact CE2-CE1 3.9Å; F179-F217 AromaticContact CE2-CE2 3.98Å; F179-F217 HydrophobicContact CE2-CE2 3.98Å; F179-F217 AromaticContact CE2-CG 3.87Å; F179-F217 HydrophobicContact CE2-CG 3.87Å; F179-F217 AromaticContact CE2-CZ 3.96Å; F179-F217 HydrophobicContact CE2-CZ 3.96Å; F179-F217 HydrophobicContact CG-CD2 4.47Å; F179-F217 HydrophobicContact CG-CE2 4.41Å
180R93.8Very high89.7Confident132 Ų13273.4 Ų73.450%0.49835%0.352SS..Hα-helixtrans-58.9-42.5178.9-175.6175.964-161.4-0.4112C176 E177 D183 S184C176-R180 PolarHBondContact O-N 3.08Å; E177-R180 PolarHBondContact O-N 3.39Å; R180-D183 PolarHBondContact O-N 3.33Å; R180-S184 WeakPolarHBondContact O-CB 3.44Å; R180-S184 PolarHBondContact O-N 2.89Å; R180-S184 PolarHBondContact O-OG 2.98Å
181N92.8Very high89.7Confident55 Ų5574.1 Ų74.129%0.29437%0.365SS..Hα-helixtrans-67-37.1177.7-69.2-14.9000112.3E177 F179 K185 K212E177-N181 WeakPolarHBondContact O-CB 3.48Å; E177-N181 PolarHBondContact O-N 3.15Å; E177-N181 PolarHBondContact O-ND2 3.47Å; F179-N181 VanDerWaalsContact C-N 3.3Å; F179-N181 PolarHBondContact O-N 3.22Å; N181-K185 PolarHBondContact O-N 2.9Å; N181-K212 WeakPolarHBondContact CB-O 3.34Å; N181-K212 PolarHBondContact ND2-O 2.94Å
182F93.2Very high89.6Confident5 Ų576 Ų762%0.02237%0.373CS..Hα-helixtrans-64.4-50.8172.3166-101.3000111.7Y178 F179 S184 K185 R186 I189 C213 C214 F217 I218 E221Y178-F182 WeakPolarHBondContact O-CB 3.44Å; Y178-F182 PolarHBondContact O-N 3.36Å; Y178-F182 VanDerWaalsContact O-N 3.16Å; F179-F182 HydrophobicContact CD2-CD1 4.33Å; F179-F182 HydrophobicContact CE2-CD1 4.34Å; F179-F182 WeakPolarHBondContact O-CB 3.27Å; F179-F182 PolarHBondContact O-N 3.46Å; F179-F182 VanDerWaalsContact O-N 3.14Å; F182-S184 VanDerWaalsContact C-N 3.26Å; F182-S184 PolarHBondContact O-N 3.37Å; F182-K185 CarbonylContact O-C 3.55Å; F182-K185 PolarHBondContact O-N 3.4Å; F182-R186 HydrophobicContact CE2-CG 4.43Å; F182-R186 HydrophobicContact CZ-CG 4.2Å; F182-R186 VanDerWaalsContact O-CA 3.3Å; F182-R186 WeakPolarHBondContact O-CA 3.46Å; F182-R186 PolarHBondContact O-N 2.97Å; F182-I189 HydrophobicContact CD2-CD1 4.45Å; F182-C213 HydrophobicContact CB-CB 4.13Å; F182-C214 HydrophobicContact CB-CB 4.43Å; F182-F217 HydrophobicContact CD1-CB 3.69Å; F182-F217 HydrophobicContact CE1-CB 3.54Å; F182-F217 HydrophobicContact CE1-CG 4.49Å; F182-F217 HydrophobicContact CG-CB 4.35Å; F182-F217 HydrophobicContact CZ-CB 4.07Å; F182-I218 HydrophobicContact CD2-CD1 4.36Å; F182-I218 HydrophobicContact CD2-CG1 3.45Å; F182-I218 VanDerWaalsContact CD2-CG1 3.45Å; F182-I218 HydrophobicContact CE2-CB 4.31Å; F182-I218 HydrophobicContact CE2-CG1 3.56Å; F182-I218 HydrophobicContact CG-CG1 4.48Å; F182-E221 HydrophobicContact CE1-CG 4.39Å; F182-E221 HydrophobicContact CZ-CB 4.4Å; F182-E221 HydrophobicContact CZ-CG 3.62Å
183D92.8Very high89.8Confident68 Ų6869.6 Ų69.636%0.36434%0.344SS..Hα-helixtrans-58.6-39.5-178.9-162.438.4000111.1R174 F179 R180R174-D183 IonicContact NH2-OD2 3.23Å; F179-D183 HydrophobicContact CE1-CB 4.33Å; F179-D183 HydrophobicContact CZ-CB 4.37Å; F179-D183 WeakPolarHBondContact O-CB 3.16Å; F179-D183 PolarHBondContact O-N 3.33Å; R180-D183 PolarHBondContact O-N 3.33Å
184S90.8Very high89.6Confident90 Ų9070.3 Ų70.363%0.62934%0.34SS*.Hα-helixtrans-73-27.1-179.7-52.80000114.3R180 F182R180-S184 WeakPolarHBondContact O-CB 3.44Å; R180-S184 PolarHBondContact O-N 2.89Å; R180-S184 PolarHBondContact O-OG 2.98Å; F182-S184 VanDerWaalsContact C-N 3.26Å; F182-S184 PolarHBondContact O-N 3.37Å
185K89.5Confident89.1Confident119 Ų11967 Ų6752%0.51734%0.342SS..THydrogen-bonded Turntrans-124.126.2-173.7-61-173-179.7-172.90112.7N181 F182 D187 E188 I189N181-K185 PolarHBondContact O-N 2.9Å; F182-K185 CarbonylContact O-C 3.55Å; F182-K185 PolarHBondContact O-N 3.4Å; K185-D187 PolarHBondContact O-N 3.24Å; K185-E188 PolarHBondContact O-N 3.42Å; K185-I189 HydrophobicContact CB-CD1 3.84Å; K185-I189 HydrophobicContact CB-CG1 4.13Å; K185-I189 WeakPolarHBondContact O-CB 3.39Å; K185-I189 VanDerWaalsContact O-CG1 3.24Å; K185-I189 WeakPolarHBondContact O-CG1 3.5Å; K185-I189 PolarHBondContact O-N 2.78Å
186R88.6Confident88.5Confident105 Ų10569.4 Ų69.440%0.39635%0.347SS..Hα-helixtrans-52.4-54.1-169.7179.5-179.8172.9-162.4-3.5112.4F182 I189 L190 E221F182-R186 HydrophobicContact CE2-CG 4.43Å; F182-R186 HydrophobicContact CZ-CG 4.2Å; F182-R186 VanDerWaalsContact O-CA 3.3Å; F182-R186 WeakPolarHBondContact O-CA 3.46Å; F182-R186 PolarHBondContact O-N 2.97Å; R186-I189 PolarHBondContact O-N 3.14Å; R186-L190 HydrophobicContact CG-CD1 3.82Å; R186-L190 WeakPolarHBondContact O-CB 3.42Å; R186-L190 VanDerWaalsContact O-CG 3.24Å; R186-L190 WeakPolarHBondContact O-CG 3.35Å; R186-L190 PolarHBondContact O-N 3.19Å; R186-E221 IonicContact CZ-OE2 2.86Å; R186-E221 IonicContact NE-OE2 2.73Å; R186-E221 IonicContact NH2-OE1 3.39Å; R186-E221 IonicContact NH2-OE2 2.7Å; R186-E221 PolarHBondContact NH2-OE2 2.79Å
187D88.8Confident87.8Confident121 Ų12169.5 Ų69.565%0.64735%0.35SS*.Hα-helixtrans-69.2-39.6-173.3-61-28.3000112.5K185 T191K185-D187 PolarHBondContact O-N 3.24Å; D187-T191 VanDerWaalsContact O-CB 3.31Å; D187-T191 WeakPolarHBondContact O-CB 3.44Å; D187-T191 PolarHBondContact O-N 2.98Å; D187-T191 PolarHBondContact O-OG1 2.9Å
188E89.8Confident87.4Confident115 Ų11566.3 Ų66.354%0.53734%0.336SS..Hα-helixtrans-62-47.4175.9-173-169.8166.500110.7K185 L190 T191 N192K185-E188 PolarHBondContact O-N 3.42Å; E188-L190 PolarHBondContact O-N 2.75Å; E188-T191 PolarHBondContact O-N 3.43Å; E188-N192 WeakPolarHBondContact O-CB 3.42Å; E188-N192 PolarHBondContact O-N 3.43Å; E188-N192 PolarHBondContact O-ND2 3.36Å
189I88.2Confident86.8Confident6 Ų665.3 Ų65.33%0.03133%0.333CS..Hα-helixtrans-61.3-47.9179.8-72.3168.8000111.1F182 K185 R186 T191 N192 L193 Y207 I211 C213 I218F182-I189 HydrophobicContact CD2-CD1 4.45Å; K185-I189 HydrophobicContact CB-CD1 3.84Å; K185-I189 HydrophobicContact CB-CG1 4.13Å; K185-I189 WeakPolarHBondContact O-CB 3.39Å; K185-I189 VanDerWaalsContact O-CG1 3.24Å; K185-I189 WeakPolarHBondContact O-CG1 3.5Å; K185-I189 PolarHBondContact O-N 2.78Å; R186-I189 PolarHBondContact O-N 3.14Å; I189-T191 VanDerWaalsContact C-N 3.33Å; I189-N192 PolarHBondContact O-N 2.93Å; I189-L193 HydrophobicContact CG2-CD1 3.98Å; I189-L193 WeakPolarHBondContact O-CG 3.4Å; I189-L193 PolarHBondContact O-N 3.26Å; I189-Y207 HydrophobicContact CG2-CE1 3.99Å; I189-I211 HydrophobicContact CD1-CD1 3.85Å; I189-I211 HydrophobicContact CG1-CD1 3.73Å; I189-I211 HydrophobicContact CG2-CD1 4.5Å; I189-C213 HydrophobicContact CD1-CB 3.94Å; I189-I218 HydrophobicContact CG2-CD1 3.94Å; I189-I218 HydrophobicContact CG2-CG1 4.07Å
190L86Confident86.3Confident13 Ų1364.6 Ų64.67%0.06833%0.331CS..Hα-helixtrans-66.9-36.9-178.6-67.1172.2000111.5R186 E188 K194 E221 L222R186-L190 HydrophobicContact CG-CD1 3.82Å; R186-L190 WeakPolarHBondContact O-CB 3.42Å; R186-L190 VanDerWaalsContact O-CG 3.24Å; R186-L190 WeakPolarHBondContact O-CG 3.35Å; R186-L190 PolarHBondContact O-N 3.19Å; E188-L190 PolarHBondContact O-N 2.75Å; L190-K194 WeakPolarHBondContact O-CB 3.41Å; L190-K194 WeakPolarHBondContact O-CG 3.18Å; L190-K194 PolarHBondContact O-N 3.49Å; L190-E221 HydrophobicContact CD1-CB 4.09Å; L190-E221 HydrophobicContact CD2-CB 4.04Å; L190-L222 HydrophobicContact CD2-CD2 3.65Å; L190-L222 HydrophobicContact CD2-CG 3.89Å
191T85.8Confident85.9Confident89 Ų8959.1 Ų59.155%0.54631%0.311SS..Hα-helixtrans-66.7-43.7177.1-55.90000111.4D187 E188 I189 K194 S195D187-T191 VanDerWaalsContact O-CB 3.31Å; D187-T191 WeakPolarHBondContact O-CB 3.44Å; D187-T191 PolarHBondContact O-N 2.98Å; D187-T191 PolarHBondContact O-OG1 2.9Å; E188-T191 PolarHBondContact O-N 3.43Å; I189-T191 VanDerWaalsContact C-N 3.33Å; T191-K194 PolarHBondContact O-N 3.22Å; T191-S195 PolarHBondContact O-N 2.92Å; T191-S195 VanDerWaalsContact O-N 3.12Å
192N86.4Confident85.6Confident64 Ų6460.7 Ų60.734%0.34232%0.317SS..Hα-helixtrans-63.2-47.4177.7-70.1-17.3000111.5E188 I189 K194 S195 E196E188-N192 WeakPolarHBondContact O-CB 3.42Å; E188-N192 PolarHBondContact O-N 3.43Å; E188-N192 PolarHBondContact O-ND2 3.36Å; I189-N192 PolarHBondContact O-N 2.93Å; N192-K194 PolarHBondContact O-N 3.16Å; N192-S195 WeakPolarHBondContact O-CB 3.47Å; N192-S195 PolarHBondContact O-N 2.92Å; N192-S195 PolarHBondContact O-OG 2.94Å; N192-E196 PolarHBondContact O-N 3.17Å; N192-E196 VanDerWaalsContact O-N 3.09Å
193L84.3Confident85.3Confident2 Ų263.2 Ų63.21%0.0133%0.33CS..Hα-helixtrans-63.4-39.9178.6-72.4172.4000112.4I189 S195 E196 G197 V199 L204 Y207 I218 L222I189-L193 HydrophobicContact CG2-CD1 3.98Å; I189-L193 WeakPolarHBondContact O-CG 3.4Å; I189-L193 PolarHBondContact O-N 3.26Å; L193-S195 PolarHBondContact O-N 3.49Å; L193-E196 PolarHBondContact O-N 3.39Å; L193-G197 PolarHBondContact O-N 3.01Å; L193-V199 HydrophobicContact CD2-CG2 4.16Å; L193-L204 HydrophobicContact CD1-CD2 4.35Å; L193-Y207 HydrophobicContact CD1-CD1 4.08Å; L193-Y207 HydrophobicContact CD1-CE1 3.8Å; L193-Y207 HydrophobicContact CD2-CD1 3.77Å; L193-Y207 HydrophobicContact CD2-CD2 3.77Å; L193-Y207 HydrophobicContact CD2-CE1 3.73Å; L193-Y207 HydrophobicContact CD2-CE2 3.77Å; L193-Y207 HydrophobicContact CD2-CG 3.78Å; L193-Y207 HydrophobicContact CG-CD1 4.23Å; L193-Y207 HydrophobicContact CG-CE1 3.78Å; L193-Y207 HydrophobicContact CG-CE2 4.37Å; L193-I218 HydrophobicContact CD1-CG2 3.47Å; L193-I218 VanDerWaalsContact CD1-CG2 3.47Å; L193-L222 HydrophobicContact CD1-CD1 4.34Å
194K78.9Confident85.2Confident94 Ų9460 Ų6041%0.40931%0.313SS..Hα-helixtrans-61.5-28.2173.8-75.2174-177.8179.20112.4L190 T191 N192 D225L190-K194 WeakPolarHBondContact O-CB 3.41Å; L190-K194 WeakPolarHBondContact O-CG 3.18Å; L190-K194 PolarHBondContact O-N 3.49Å; T191-K194 PolarHBondContact O-N 3.22Å; N192-K194 PolarHBondContact O-N 3.16Å; K194-D225 IonicContact NZ-OD2 2.65Å; K194-D225 PolarHBondContact NZ-OD2 3.01Å
195S76.8Confident85.2Confident93 Ų9356.8 Ų56.865%0.6529%0.29SS*.Hα-helixtrans-81.5-29.3177.977.40000114.1T191 N192 L193 G197T191-S195 PolarHBondContact O-N 2.92Å; T191-S195 VanDerWaalsContact O-N 3.12Å; N192-S195 WeakPolarHBondContact O-CB 3.47Å; N192-S195 PolarHBondContact O-N 2.92Å; N192-S195 PolarHBondContact O-OG 2.94Å; L193-S195 PolarHBondContact O-N 3.49Å; S195-G197 VanDerWaalsContact C-N 3.34Å
196E75.5Confident85.3Confident135 Ų13555.6 Ų55.663%0.63129%0.29SS*.Hα-helixtrans-77.1-20.7179.8-71.4-173.5167.300112.8N192 L193N192-E196 PolarHBondContact O-N 3.17Å; N192-E196 VanDerWaalsContact O-N 3.09Å; L193-E196 PolarHBondContact O-N 3.39Å
197G79.8Confident85.4Confident14 Ų1452 Ų5214%0.14428%0.276CS..  trans109.6-149.2176.100000112.7S135 L193 S195 V199S135-G197 WeakPolarHBondContact O-CA 3.41Å; L193-G197 PolarHBondContact O-N 3.01Å; S195-G197 VanDerWaalsContact C-N 3.34Å; G197-V199 WeakPolarHBondContact O-CG2 3.49Å
198I83.1Confident85.6Confident13 Ų1346.2 Ų46.27%0.06725%0.245CC..  trans-75.3131.4-177.6-59.4171.1000110.8I126 L129 K130 S135 V139I126-I198 HydrophobicContact CG2-CG2 3.61Å; L129-I198 HydrophobicContact CB-CD1 4.32Å; L129-I198 HydrophobicContact CD2-CD1 3.43Å; L129-I198 VanDerWaalsContact CD2-CD1 3.43Å; L129-I198 HydrophobicContact CG-CD1 3.44Å; L129-I198 VanDerWaalsContact CG-CD1 3.44Å; K130-I198 VanDerWaalsContact CE-O 3.29Å; K130-I198 WeakPolarHBondContact CE-O 3.29Å; K130-I198 HydrophobicContact CG-CB 4.46Å; S135-I198 WeakPolarHBondContact O-CG1 3.46Å; S135-I198 PolarHBondContact O-N 3.43Å; V139-I198 HydrophobicContact CB-CD1 4.36Å; V139-I198 HydrophobicContact CB-CG1 3.98Å; V139-I198 HydrophobicContact CB-CG2 4.05Å; V139-I198 HydrophobicContact CG1-CG2 4.02Å; V139-I198 HydrophobicContact CG2-CD1 3.87Å; V139-I198 HydrophobicContact CG2-CG1 3.91Å
199V82.9Confident85.8Confident16 Ų1646.1 Ų46.110%0.09725%0.245CC..  trans-116.5127.7-177-1610000109.3L193 G197 D203 L204L193-V199 HydrophobicContact CD2-CG2 4.16Å; G197-V199 WeakPolarHBondContact O-CG2 3.49Å; V199-D203 HydrophobicContact CB-CB 4.49Å; V199-D203 HydrophobicContact CG1-CB 3.39Å; V199-L204 HydrophobicContact CB-CD2 4.36Å; V199-L204 HydrophobicContact CB-CG 4.26Å; V199-L204 HydrophobicContact CG1-CB 4.34Å; V199-L204 HydrophobicContact CG1-CD2 3.78Å; V199-L204 HydrophobicContact CG1-CG 3.6Å
200D85.3Confident86Confident8 Ų854.2 Ų54.24%0.04328%0.28CS..  trans-90.9-173.5171.361.637.2000112.4I126 K130 E202 D203 L204I126-D200 HydrophobicContact CB-CB 4.45Å; I126-D200 HydrophobicContact CD1-CB 4Å; I126-D200 HydrophobicContact CG2-CB 3.92Å; K130-D200 IonicContact NZ-OD2 3.43Å; K130-D200 PolarHBondContact NZ-OD2 3.27Å; D200-E202 PolarHBondContact OD1-N 2.87Å; D200-E202 VanDerWaalsContact OD1-N 3.14Å; D200-D203 PolarHBondContact N-OD2 2.98Å; D200-D203 WeakPolarHBondContact OD1-CB 3.37Å; D200-D203 PolarHBondContact OD1-N 3.1Å; D200-L204 WeakPolarHBondContact O-CB 3.17Å; D200-L204 VanDerWaalsContact O-CG 3.27Å; D200-L204 WeakPolarHBondContact O-CG 3.2Å; D200-L204 PolarHBondContact O-N 2.99Å
201I85.1Confident86.2Confident16 Ų1656.7 Ų56.78%0.08229%0.293CS..Hα-helixtrans-68.4-41-176.8-69.5178000110.3H119 V141 Q147 L148 S205H119-I201 WeakPolarHBondContact ND1-CD1 3.46Å; V141-I201 HydrophobicContact CB-CG1 4.41Å; V141-I201 HydrophobicContact CG1-CG1 3.8Å; V141-I201 HydrophobicContact CG2-CD1 3.94Å; V141-I201 HydrophobicContact CG2-CG1 3.67Å; Q147-I201 HydrophobicContact CB-CG2 4.02Å; L148-I201 HydrophobicContact CD2-CG2 3.84Å; L148-I201 HydrophobicContact CG-CG2 4.41Å; I201-S205 WeakPolarHBondContact O-CB 3.39Å; I201-S205 PolarHBondContact O-N 3.2Å
202E85.6Confident86.6Confident89 Ų8958.2 Ų58.242%0.41629%0.292SS..Hα-helixtrans-65.7-45.8178.7-67.576.7-173.200110.9D200 S205 N206D200-E202 PolarHBondContact OD1-N 2.87Å; D200-E202 VanDerWaalsContact OD1-N 3.14Å; E202-S205 WeakPolarHBondContact O-CB 3.36Å; E202-S205 PolarHBondContact O-N 2.98Å; E202-N206 WeakPolarHBondContact O-CB 3.42Å; E202-N206 PolarHBondContact O-N 3.06Å; E202-N206 PolarHBondContact O-ND2 3.19Å; E202-N206 VanDerWaalsContact O-ND2 3.13Å
203D87.9Confident87Confident57 Ų5755.2 Ų55.231%0.30528%0.276SS..Hα-helixtrans-61.7-44.7175.4-67.3-27.3000111.5K130 V199 D200 S205 N206 Y207K130-D203 WeakPolarHBondContact CE-OD2 3.35Å; K130-D203 IonicContact NZ-OD2 2.7Å; K130-D203 PolarHBondContact NZ-OD2 3.35Å; V199-D203 HydrophobicContact CB-CB 4.49Å; V199-D203 HydrophobicContact CG1-CB 3.39Å; D200-D203 PolarHBondContact N-OD2 2.98Å; D200-D203 WeakPolarHBondContact OD1-CB 3.37Å; D200-D203 PolarHBondContact OD1-N 3.1Å; D203-S205 VanDerWaalsContact C-N 3.31Å; D203-S205 PolarHBondContact O-N 3.49Å; D203-N206 PolarHBondContact O-N 3.33Å; D203-Y207 WeakPolarHBondContact O-CB 3.22Å; D203-Y207 PolarHBondContact O-N 3.44Å
204L90.5Very high87.5Confident1 Ų155.6 Ų55.61%0.00528%0.278CS..Hα-helixtrans-60.4-42.2175.6-80.2173.8000111.4V141 L148 L193 V199 D200 G208 P215 I218 L222V141-L204 HydrophobicContact CG1-CD1 3.86Å; L148-L204 HydrophobicContact CD2-CB 4.15Å; L193-L204 HydrophobicContact CD1-CD2 4.35Å; V199-L204 HydrophobicContact CB-CD2 4.36Å; V199-L204 HydrophobicContact CB-CG 4.26Å; V199-L204 HydrophobicContact CG1-CB 4.34Å; V199-L204 HydrophobicContact CG1-CD2 3.78Å; V199-L204 HydrophobicContact CG1-CG 3.6Å; D200-L204 WeakPolarHBondContact O-CB 3.17Å; D200-L204 VanDerWaalsContact O-CG 3.27Å; D200-L204 WeakPolarHBondContact O-CG 3.2Å; D200-L204 PolarHBondContact O-N 2.99Å; L204-G208 PolarHBondContact O-N 3.45Å; L204-P215 HydrophobicContact CB-CB 4.35Å; L204-P215 WeakPolarHBondContact O-CB 3.44Å; L204-I218 HydrophobicContact CD2-CB 4.47Å; L204-I218 HydrophobicContact CD2-CG2 3.65Å; L204-L222 HydrophobicContact CD2-CD1 4.03Å
205S91.4Very high88.3Confident22 Ų2251.1 Ų51.115%0.15426%0.259CS..Hα-helixtrans-64.5-48.5177.7-170.30000111.5I201 E202 D203 G208 Q209I201-S205 WeakPolarHBondContact O-CB 3.39Å; I201-S205 PolarHBondContact O-N 3.2Å; E202-S205 WeakPolarHBondContact O-CB 3.36Å; E202-S205 PolarHBondContact O-N 2.98Å; D203-S205 VanDerWaalsContact C-N 3.31Å; D203-S205 PolarHBondContact O-N 3.49Å; S205-G208 PolarHBondContact O-N 3.17Å; S205-Q209 PolarHBondContact O-N 2.63Å
206N91.7Very high89Confident95 Ų9546.9 Ų46.951%0.50823%0.229SC..Hα-helixtrans-62.4-43.8177.9-69.3-28.4000111.7E202 D203 Q209 K210E202-N206 WeakPolarHBondContact O-CB 3.42Å; E202-N206 PolarHBondContact O-N 3.06Å; E202-N206 PolarHBondContact O-ND2 3.19Å; E202-N206 VanDerWaalsContact O-ND2 3.13Å; D203-N206 PolarHBondContact O-N 3.33Å; N206-Q209 PolarHBondContact O-N 2.72Å; N206-K210 WeakPolarHBondContact O-CB 3.34Å; N206-K210 PolarHBondContact O-N 3.2Å
207Y90.8Very high89.8Confident28 Ų2841.6 Ų41.611%0.1120%0.204CC..Hα-helixtrans-61.7-48.8176.1-177.2-94.6000110.7I189 L193 D203 Q209 K210 I211 I218I189-Y207 HydrophobicContact CG2-CE1 3.99Å; L193-Y207 HydrophobicContact CD1-CD1 4.08Å; L193-Y207 HydrophobicContact CD1-CE1 3.8Å; L193-Y207 HydrophobicContact CD2-CD1 3.77Å; L193-Y207 HydrophobicContact CD2-CD2 3.77Å; L193-Y207 HydrophobicContact CD2-CE1 3.73Å; L193-Y207 HydrophobicContact CD2-CE2 3.77Å; L193-Y207 HydrophobicContact CD2-CG 3.78Å; L193-Y207 HydrophobicContact CG-CD1 4.23Å; L193-Y207 HydrophobicContact CG-CE1 3.78Å; L193-Y207 HydrophobicContact CG-CE2 4.37Å; D203-Y207 WeakPolarHBondContact O-CB 3.22Å; D203-Y207 PolarHBondContact O-N 3.44Å; Y207-Q209 VanDerWaalsContact C-N 3.3Å; Y207-Q209 PolarHBondContact O-N 3.39Å; Y207-K210 WeakPolarHBondContact O-CB 3.49Å; Y207-K210 PolarHBondContact O-N 3.38Å; Y207-K210 VanDerWaalsContact O-N 3.11Å; Y207-I211 HydrophobicContact CD1-CD1 4.01Å; Y207-I211 HydrophobicContact CD1-CG1 4.07Å; Y207-I211 HydrophobicContact CE1-CD1 3.29Å; Y207-I211 HydrophobicContact CE1-CG1 3.84Å; Y207-I211 WeakPolarHBondContact O-CG1 3.48Å; Y207-I211 PolarHBondContact O-N 2.79Å; Y207-I218 HydrophobicContact CD1-CD1 4.48Å
208G92.5Very high90.4Very high0 Ų041 Ų410%020%0.197CC..Hα-helixtrans-64.5-31.217800000114L150 L204 S205 K212 C213L150-G208 VanDerWaalsContact CD1-C 3.43Å; L204-G208 PolarHBondContact O-N 3.45Å; S205-G208 PolarHBondContact O-N 3.17Å; G208-K212 CarbonylContact O-C 3.5Å; G208-K212 WeakPolarHBondContact O-CA 3.37Å; G208-K212 PolarHBondContact O-N 2.81Å; G208-C213 CarbonylContact C-O 3.53Å; G208-C213 WeakPolarHBondContact CA-O 3.24Å; G208-C213 PolarHBondContact O-N 3.14Å
209Q92.9Very high90.8Very high113 Ų11340.4 Ų40.453%0.52819%0.194SC..Hα-helixtrans-65.7-47.6169.5-80.6-175.6-8.500111.5L150 S205 N206 Y207 I211 K212L150-Q209 HydrophobicContact CD1-CB 4.36Å; L150-Q209 HydrophobicContact CD1-CG 3.7Å; L150-Q209 HydrophobicContact CD2-CG 3.7Å; L150-Q209 HydrophobicContact CG-CG 4.27Å; S205-Q209 PolarHBondContact O-N 2.63Å; N206-Q209 PolarHBondContact O-N 2.72Å; Y207-Q209 VanDerWaalsContact C-N 3.3Å; Y207-Q209 PolarHBondContact O-N 3.39Å; Q209-I211 PolarHBondContact O-N 3.12Å; Q209-K212 PolarHBondContact O-N 2.76Å
210K92.7Very high91Very high176 Ų17643.1 Ų43.177%0.76520%0.203SC*.Hα-helixtrans-60.2-45-177.5-176.8-178176.4-172.90112.4N206 Y207N206-K210 WeakPolarHBondContact O-CB 3.34Å; N206-K210 PolarHBondContact O-N 3.2Å; Y207-K210 WeakPolarHBondContact O-CB 3.49Å; Y207-K210 PolarHBondContact O-N 3.38Å; Y207-K210 VanDerWaalsContact O-N 3.11Å
211I91.8Very high91.2Very high66 Ų6645 Ų4534%0.33821%0.211SC..Hα-helixtrans-99.84.9-177.667.6153.7000113.9I189 Y207 Q209 C213I189-I211 HydrophobicContact CD1-CD1 3.85Å; I189-I211 HydrophobicContact CG1-CD1 3.73Å; I189-I211 HydrophobicContact CG2-CD1 4.5Å; Y207-I211 HydrophobicContact CD1-CD1 4.01Å; Y207-I211 HydrophobicContact CD1-CG1 4.07Å; Y207-I211 HydrophobicContact CE1-CD1 3.29Å; Y207-I211 HydrophobicContact CE1-CG1 3.84Å; Y207-I211 WeakPolarHBondContact O-CG1 3.48Å; Y207-I211 PolarHBondContact O-N 2.79Å; Q209-I211 PolarHBondContact O-N 3.12Å; I211-C213 HydrophobicContact CD1-CB 4.03Å; I211-C213 WeakPolarHBondContact CD1-SG 3.43Å; I211-C213 HydrophobicContact CG1-CB 4.15Å; I211-C213 WeakPolarHBondContact CG1-SG 3.32Å; I211-C213 PolarHBondContact O-N 2.7Å
212K93.4Very high91.3Very high121 Ų12145 Ų4553%0.52621%0.211SC..THydrogen-bonded Turntrans5346.9-177.9-62.1-171.3175.2-170.90114.1N181 G208 Q209N181-K212 WeakPolarHBondContact CB-O 3.34Å; N181-K212 PolarHBondContact ND2-O 2.94Å; G208-K212 CarbonylContact O-C 3.5Å; G208-K212 WeakPolarHBondContact O-CA 3.37Å; G208-K212 PolarHBondContact O-N 2.81Å; Q209-K212 PolarHBondContact O-N 2.76Å
213C94.4Very high91.4Very high1 Ų141.8 Ų41.81%0.00720%0.196CC..  trans-122.2163.8175.870.90000111Y178 F182 I189 G208 I211 P215 I218Y178-C213 WeakPolarHBondContact CD1-O 3.46Å; Y178-C213 CarbonylContact O-C 3.52Å; Y178-C213 WeakPolarHBondContact O-CA 3.46Å; F182-C213 HydrophobicContact CB-CB 4.13Å; I189-C213 HydrophobicContact CD1-CB 3.94Å; G208-C213 CarbonylContact C-O 3.53Å; G208-C213 WeakPolarHBondContact CA-O 3.24Å; G208-C213 PolarHBondContact O-N 3.14Å; I211-C213 HydrophobicContact CD1-CB 4.03Å; I211-C213 WeakPolarHBondContact CD1-SG 3.43Å; I211-C213 HydrophobicContact CG1-CB 4.15Å; I211-C213 WeakPolarHBondContact CG1-SG 3.32Å; I211-C213 PolarHBondContact O-N 2.7Å; C213-P215 WeakPolarHBondContact O-CD 3.47Å; C213-I218 HydrophobicContact CB-CD1 4.46Å; C213-I218 WeakPolarHBondContact SG-CD1 3.43Å
214C95.4Very high91.1Very high9 Ų942.2 Ų42.26%0.06120%0.201CC..  trans-81110.1-174-169.20000113.1Y178 F182 Y216 F217 I218Y178-C214 PolarHBondContact O-N 3.42Å; F182-C214 HydrophobicContact CB-CB 4.43Å; C214-Y216 PolarHBondContact O-N 2.65Å; C214-F217 HydrophobicContact CB-CD2 4.27Å; C214-F217 PolarHBondContact O-N 2.99Å; C214-I218 WeakPolarHBondContact O-CG1 3.23Å; C214-I218 PolarHBondContact O-N 3.49Å
215P94.5Very high90.6Very high0 Ų046.5 Ų46.50%022%0.224CC..Hα-helixtrans-60.6-34.3178.4-19.630.7000113L148 L150 L204 C213 F217 I218 S219L148-P215 HydrophobicContact CB-CB 4.12Å; L148-P215 HydrophobicContact CD2-CB 3.86Å; L148-P215 VanDerWaalsContact O-CD 3.31Å; L148-P215 WeakPolarHBondContact O-CD 3.27Å; L148-P215 WeakPolarHBondContact O-CG 3.42Å; L150-P215 HydrophobicContact CD1-CG 3.57Å; L150-P215 HydrophobicContact CD2-CG 4.3Å; L150-P215 HydrophobicContact CG-CG 3.78Å; L204-P215 HydrophobicContact CB-CB 4.35Å; L204-P215 WeakPolarHBondContact O-CB 3.44Å; C213-P215 WeakPolarHBondContact O-CD 3.47Å; P215-F217 PolarHBondContact O-N 3.2Å; P215-I218 PolarHBondContact O-N 3.41Å; P215-S219 WeakPolarHBondContact O-CB 3.27Å; P215-S219 PolarHBondContact O-N 3.5Å
216Y93Very high90.3Very high4 Ų445.5 Ų45.52%0.01622%0.217CC..Hα-helixtrans-61.3-45.7-179.4174.3-99.7000112.5R145 C214 R220 Y245R145-Y216 HydrophobicContact CG-CD1 4.33Å; R145-Y216 HydrophobicContact CG-CD2 3.79Å; R145-Y216 HydrophobicContact CG-CE1 4.29Å; R145-Y216 HydrophobicContact CG-CE2 3.74Å; R145-Y216 HydrophobicContact CG-CG 4.1Å; R145-Y216 VanDerWaalsContact CZ-CZ 3.41Å; R145-Y216 VanDerWaalsContact CZ-OH 3.27Å; R145-Y216 PolarHBondContact NH1-OH 3.3Å; R145-Y216 VanDerWaalsContact NH2-CE1 3.31Å; R145-Y216 PolarHBondContact NH2-OH 3.03Å; C214-Y216 PolarHBondContact O-N 2.65Å; Y216-R220 WeakPolarHBondContact O-CG 3.43Å; Y216-R220 PolarHBondContact O-N 3Å; Y216-Y245 AromaticContact CE2-CE1 3.99Å; Y216-Y245 HydrophobicContact CE2-CE1 3.99Å
217F91.9Very high90.1Very high25 Ų2542.6 Ų42.611%0.1120%0.204CC..Hα-helixtrans-76.4-31.4178.3-77.5-83.9000112.3V171 F179 F182 C214 P215 R220 E221V171-F217 HydrophobicContact CB-CZ 4.48Å; V171-F217 HydrophobicContact CG1-CZ 4.04Å; V171-F217 HydrophobicContact CG2-CE2 3.54Å; V171-F217 HydrophobicContact CG2-CZ 3.73Å; F179-F217 HydrophobicContact CD2-CB 4.41Å; F179-F217 HydrophobicContact CD2-CD1 4.22Å; F179-F217 AromaticContact CD2-CD2 3.42Å; F179-F217 HydrophobicContact CD2-CD2 3.42Å; F179-F217 VanDerWaalsContact CD2-CD2 3.42Å; F179-F217 HydrophobicContact CD2-CE1 4.32Å; F179-F217 AromaticContact CD2-CE2 3.57Å; F179-F217 HydrophobicContact CD2-CE2 3.57Å; F179-F217 AromaticContact CD2-CG 3.77Å; F179-F217 HydrophobicContact CD2-CG 3.77Å; F179-F217 HydrophobicContact CD2-CZ 4.02Å; F179-F217 AromaticContact CE2-CD1 3.86Å; F179-F217 HydrophobicContact CE2-CD1 3.86Å; F179-F217 AromaticContact CE2-CD2 3.93Å; F179-F217 HydrophobicContact CE2-CD2 3.93Å; F179-F217 AromaticContact CE2-CE1 3.9Å; F179-F217 HydrophobicContact CE2-CE1 3.9Å; F179-F217 AromaticContact CE2-CE2 3.98Å; F179-F217 HydrophobicContact CE2-CE2 3.98Å; F179-F217 AromaticContact CE2-CG 3.87Å; F179-F217 HydrophobicContact CE2-CG 3.87Å; F179-F217 AromaticContact CE2-CZ 3.96Å; F179-F217 HydrophobicContact CE2-CZ 3.96Å; F179-F217 HydrophobicContact CG-CD2 4.47Å; F179-F217 HydrophobicContact CG-CE2 4.41Å; F182-F217 HydrophobicContact CD1-CB 3.69Å; F182-F217 HydrophobicContact CE1-CB 3.54Å; F182-F217 HydrophobicContact CE1-CG 4.49Å; F182-F217 HydrophobicContact CG-CB 4.35Å; F182-F217 HydrophobicContact CZ-CB 4.07Å; C214-F217 HydrophobicContact CB-CD2 4.27Å; C214-F217 PolarHBondContact O-N 2.99Å; P215-F217 PolarHBondContact O-N 3.2Å; F217-R220 PolarHBondContact O-N 3.27Å; F217-E221 PolarHBondContact O-N 3.18Å; F217-E221 VanDerWaalsContact O-N 3.08Å
218I92.2Very high90.2Very high0 Ų041.3 Ų41.30%020%0.199CC..Hα-helixtrans-57.1-51.9169.6-67.4165.3000110.8F182 I189 L193 L204 Y207 C213 C214 P215 R220 E221 L222F182-I218 HydrophobicContact CD2-CD1 4.36Å; F182-I218 HydrophobicContact CD2-CG1 3.45Å; F182-I218 VanDerWaalsContact CD2-CG1 3.45Å; F182-I218 HydrophobicContact CE2-CB 4.31Å; F182-I218 HydrophobicContact CE2-CG1 3.56Å; F182-I218 HydrophobicContact CG-CG1 4.48Å; I189-I218 HydrophobicContact CG2-CD1 3.94Å; I189-I218 HydrophobicContact CG2-CG1 4.07Å; L193-I218 HydrophobicContact CD1-CG2 3.47Å; L193-I218 VanDerWaalsContact CD1-CG2 3.47Å; L204-I218 HydrophobicContact CD2-CB 4.47Å; L204-I218 HydrophobicContact CD2-CG2 3.65Å; Y207-I218 HydrophobicContact CD1-CD1 4.48Å; C213-I218 HydrophobicContact CB-CD1 4.46Å; C213-I218 WeakPolarHBondContact SG-CD1 3.43Å; C214-I218 WeakPolarHBondContact O-CG1 3.23Å; C214-I218 PolarHBondContact O-N 3.49Å; P215-I218 PolarHBondContact O-N 3.41Å; I218-R220 VanDerWaalsContact C-N 3.25Å; I218-R220 PolarHBondContact O-N 3.26Å; I218-E221 PolarHBondContact O-N 3.16Å; I218-L222 HydrophobicContact CG2-CD1 3.7Å; I218-L222 HydrophobicContact CG2-CG 4.1Å; I218-L222 WeakPolarHBondContact O-CG 3.2Å; I218-L222 PolarHBondContact O-N 3.45Å
219S90.9Very high90.2Very high1 Ų141.8 Ų41.81%0.00720%0.201CC..Hα-helixtrans-54.2-41.9178166.20000112V141 P215 K223V141-S219 PolarHBondContact O-OG 3.26Å; P215-S219 WeakPolarHBondContact O-CB 3.27Å; P215-S219 PolarHBondContact O-N 3.5Å; S219-K223 WeakPolarHBondContact O-CB 3.35Å; S219-K223 PolarHBondContact O-N 3.07Å; S219-K223 VanDerWaalsContact O-N 3.12Å
220R88.3Confident90.3Very high74 Ų7436.4 Ų36.428%0.27918%0.176SC..Hα-helixtrans-66.9-38.6179.4-73.2-175.971.6-166.83.7113.6Y216 F217 I218 K223Y216-R220 WeakPolarHBondContact O-CG 3.43Å; Y216-R220 PolarHBondContact O-N 3Å; F217-R220 PolarHBondContact O-N 3.27Å; I218-R220 VanDerWaalsContact C-N 3.25Å; I218-R220 PolarHBondContact O-N 3.26Å; R220-K223 WeakPolarHBondContact O-CB 3.35Å
221E88.1Confident90.4Very high46 Ų4628 Ų2822%0.21514%0.14CC..Hα-helixtrans-74.3-41.8175.7-68.6-52.6140.100111.7F182 R186 L190 F217 I218 K223 T224F182-E221 HydrophobicContact CE1-CG 4.39Å; F182-E221 HydrophobicContact CZ-CB 4.4Å; F182-E221 HydrophobicContact CZ-CG 3.62Å; R186-E221 IonicContact CZ-OE2 2.86Å; R186-E221 IonicContact NE-OE2 2.73Å; R186-E221 IonicContact NH2-OE1 3.39Å; R186-E221 IonicContact NH2-OE2 2.7Å; R186-E221 PolarHBondContact NH2-OE2 2.79Å; L190-E221 HydrophobicContact CD1-CB 4.09Å; L190-E221 HydrophobicContact CD2-CB 4.04Å; F217-E221 PolarHBondContact O-N 3.18Å; F217-E221 VanDerWaalsContact O-N 3.08Å; I218-E221 PolarHBondContact O-N 3.16Å; E221-K223 PolarHBondContact O-N 3.11Å; E221-K223 VanDerWaalsContact O-N 3.16Å; E221-T224 PolarHBondContact O-N 2.96Å; E221-T224 PolarHBondContact O-OG1 2.78Å
222L87.1Confident90.4Very high17 Ų1725 Ų259%0.08913%0.125CC..Hα-helixtrans-58.4-33.5175.6-71.2175.3000112.2L190 L193 L204 I218 T224 D225 S226L190-L222 HydrophobicContact CD2-CD2 3.65Å; L190-L222 HydrophobicContact CD2-CG 3.89Å; L193-L222 HydrophobicContact CD1-CD1 4.34Å; L204-L222 HydrophobicContact CD2-CD1 4.03Å; I218-L222 HydrophobicContact CG2-CD1 3.7Å; I218-L222 HydrophobicContact CG2-CG 4.1Å; I218-L222 WeakPolarHBondContact O-CG 3.2Å; I218-L222 PolarHBondContact O-N 3.45Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.31Å; L222-D225 PolarHBondContact O-N 3.48Å; L222-S226 WeakPolarHBondContact O-CB 3.27Å; L222-S226 PolarHBondContact O-N 3.16Å; L222-S226 PolarHBondContact O-OG 3.01Å
223K87.8Confident90.4Very high21 Ų2119.5 Ų19.59%0.09110%0.1CC..Hα-helixtrans-60.5-33.5175.4-172.9-156.765159.20113.5S140 V142 S219 R220 E221 D225 S226 I229 Y245 N246S140-K223 WeakPolarHBondContact OG-CA 3.5Å; V142-K223 HydrophobicContact CG2-CB 4.38Å; V142-K223 HydrophobicContact CG2-CD 3.8Å; V142-K223 HydrophobicContact CG2-CG 3.92Å; S219-K223 WeakPolarHBondContact O-CB 3.35Å; S219-K223 PolarHBondContact O-N 3.07Å; S219-K223 VanDerWaalsContact O-N 3.12Å; R220-K223 WeakPolarHBondContact O-CB 3.35Å; E221-K223 PolarHBondContact O-N 3.11Å; E221-K223 VanDerWaalsContact O-N 3.16Å; K223-D225 VanDerWaalsContact C-N 3.3Å; K223-D225 PolarHBondContact O-N 3.05Å; K223-S226 PolarHBondContact O-OG 3.37Å; K223-I229 HydrophobicContact CG-CD1 3.97Å; K223-I229 HydrophobicContact CG-CG1 4.29Å; K223-I229 HydrophobicContact CG-CG2 4.05Å; K223-Y245 PolarHBondContact NZ-O 2.87Å; K223-N246 PolarHBondContact NZ-O 3.1Å
224T82.6Confident90.3Very high67 Ų6722.7 Ų22.741%0.41112%0.118SC..Hα-helixtrans-66.1-38.2-176.958.60000111.5K111 E221 L222K111-T224 PolarHBondContact NZ-O 2.95Å; K111-T224 VanDerWaalsContact NZ-O 3.17Å; E221-T224 PolarHBondContact O-N 2.96Å; E221-T224 PolarHBondContact O-OG1 2.78Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.31Å
225D78.5Confident90.1Very high90 Ų9022.9 Ų22.948%0.48112%0.117SC..Hα-helixtrans-96.7-10.6-172-61.9-1.6000113.9S138 K194 L222 K223S138-D225 PolarHBondContact OG-O 3.23Å; K194-D225 IonicContact NZ-OD2 2.65Å; K194-D225 PolarHBondContact NZ-OD2 3.01Å; L222-D225 PolarHBondContact O-N 3.48Å; K223-D225 VanDerWaalsContact C-N 3.3Å; K223-D225 PolarHBondContact O-N 3.05Å
226S85.8Confident90.1Very high2 Ų222.9 Ų22.91%0.01412%0.117CC..  trans-80.9137.4-177.359.20000112.6S140 L222 K223 I229S140-S226 WeakPolarHBondContact CB-OG 3.42Å; S140-S226 WeakPolarHBondContact OG-CB 3.37Å; S140-S226 PolarHBondContact OG-OG 3.01Å; L222-S226 WeakPolarHBondContact O-CB 3.27Å; L222-S226 PolarHBondContact O-N 3.16Å; L222-S226 PolarHBondContact O-OG 3.01Å; K223-S226 PolarHBondContact O-OG 3.37Å; S226-I229 WeakPolarHBondContact OG-CG1 3.32Å
227S87.4Confident90.1Very high33 Ų3322.8 Ų22.823%0.23112%0.117CC..SBendtrans-82.8-24.8171.856.60000112.6K111 I112 S138K111-S227 WeakPolarHBondContact CA-O 3.32Å; I112-S227 PolarHBondContact N-O 2.71Å; S138-S227 PolarHBondContact O-N 3.43Å
228L92.6Very high89.9Confident1 Ų122.2 Ų22.21%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-121122.3174.2178.964.5000109.9L53 L57 I112 L129 V139 S140 F230L53-L228 HydrophobicContact CD2-CD2 4.07Å; L57-L228 HydrophobicContact CD1-CD2 4.22Å; L57-L228 HydrophobicContact CD2-CB 4.38Å; L57-L228 HydrophobicContact CD2-CD2 3.92Å; L57-L228 HydrophobicContact CG-CD2 4.21Å; I112-L228 HydrophobicContact CB-CD1 3.86Å; I112-L228 HydrophobicContact CG2-CD1 3.65Å; I112-L228 CarbonylContact O-C 3.55Å; I112-L228 WeakPolarHBondContact O-CA 3.23Å; L129-L228 HydrophobicContact CD2-CD2 4.23Å; V139-L228 WeakPolarHBondContact CA-O 3.37Å; V139-L228 HydrophobicContact CG2-CB 4.3Å; V139-L228 HydrophobicContact CG2-CD2 4.16Å; S140-L228 PolarHBondContact N-O 3.26Å; L228-F230 HydrophobicContact CD2-CE2 3.62Å; L228-F230 HydrophobicContact CD2-CZ 3.98Å; L228-F230 HydrophobicContact CG-CD2 4.39Å; L228-F230 HydrophobicContact CG-CE2 3.82Å; L228-F230 HydrophobicContact CG-CZ 4.45Å
229I93.7Very high89.5Confident10 Ų1024 Ų245%0.05113%0.127CC..EExtended strand (participates in β ladder)trans-120.5123.1-177.4-55.4160.9000109.8I112 I113 Y114 V142 K223 S226 M231I112-I229 PolarHBondContact O-N 3.02Å; I113-I229 CarbonylContact C-O 3.6Å; I113-I229 WeakPolarHBondContact CA-O 3.49Å; I113-I229 HydrophobicContact CG1-CB 4.36Å; I113-I229 HydrophobicContact CG1-CD1 4.45Å; Y114-I229 PolarHBondContact N-O 3.28Å; V142-I229 HydrophobicContact CG2-CG2 3.79Å; K223-I229 HydrophobicContact CG-CD1 3.97Å; K223-I229 HydrophobicContact CG-CG1 4.29Å; K223-I229 HydrophobicContact CG-CG2 4.05Å; S226-I229 WeakPolarHBondContact OG-CG1 3.32Å; I229-M231 HydrophobicContact CB-CE 4.11Å; I229-M231 HydrophobicContact CG2-CE 3.31Å
230F94.8Very high88.9Confident0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-91.2127.5173.1-72.2-96.4000110.7L53 Y114 L122 A125 I126 L129 V139 S140 V141 V142 L228L53-F230 HydrophobicContact CD1-CZ 4.36Å; L53-F230 HydrophobicContact CD2-CE1 4.25Å; L53-F230 HydrophobicContact CD2-CZ 3.75Å; Y114-F230 AromaticContact CD1-CD1 3.63Å; Y114-F230 HydrophobicContact CD1-CD1 3.63Å; Y114-F230 AromaticContact CD1-CE1 3.63Å; Y114-F230 HydrophobicContact CD1-CE1 3.63Å; Y114-F230 HydrophobicContact CD2-CE1 4.17Å; Y114-F230 HydrophobicContact CE1-CD1 4.43Å; Y114-F230 HydrophobicContact CE1-CE1 4.19Å; Y114-F230 AromaticContact CG-CD1 3.87Å; Y114-F230 HydrophobicContact CG-CD1 3.87Å; Y114-F230 AromaticContact CG-CE1 3.62Å; Y114-F230 HydrophobicContact CG-CE1 3.62Å; Y114-F230 HydrophobicContact CG-CZ 4.37Å; Y114-F230 WeakPolarHBondContact O-CA 3.31Å; L122-F230 HydrophobicContact CD2-CB 4.27Å; L122-F230 HydrophobicContact CD2-CD1 4.04Å; A125-F230 HydrophobicContact CB-CE1 3.84Å; I126-F230 HydrophobicContact CD1-CB 4.3Å; I126-F230 HydrophobicContact CD1-CD1 4.47Å; I126-F230 HydrophobicContact CD1-CD2 4.36Å; I126-F230 HydrophobicContact CD1-CG 4.13Å; I126-F230 HydrophobicContact CG1-CD1 4.06Å; I126-F230 HydrophobicContact CG1-CD2 4.06Å; I126-F230 HydrophobicContact CG1-CE1 4.14Å; I126-F230 HydrophobicContact CG1-CE2 4.14Å; I126-F230 HydrophobicContact CG1-CG 4.01Å; I126-F230 HydrophobicContact CG1-CZ 4.17Å; L129-F230 HydrophobicContact CD2-CE2 4.34Å; L129-F230 HydrophobicContact CD2-CZ 4.28Å; V139-F230 HydrophobicContact CG1-CD2 3.46Å; V139-F230 VanDerWaalsContact CG1-CD2 3.46Å; V139-F230 HydrophobicContact CG1-CE2 3.34Å; S140-F230 PolarHBondContact O-N 2.63Å; V141-F230 WeakPolarHBondContact CA-O 3.47Å; V141-F230 HydrophobicContact CB-CB 4.23Å; V141-F230 HydrophobicContact CG2-CB 4.04Å; V142-F230 PolarHBondContact N-O 3.47Å; L228-F230 HydrophobicContact CD2-CE2 3.62Å; L228-F230 HydrophobicContact CD2-CZ 3.98Å; L228-F230 HydrophobicContact CG-CD2 4.39Å; L228-F230 HydrophobicContact CG-CE2 3.82Å; L228-F230 HydrophobicContact CG-CZ 4.45Å
231M93.6Very high88.7Confident0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-154.1161.3175.565.8-176.572.600113.2I113 Y114 A115 S116 L122 V142 I229 V236 I247I113-M231 HydrophobicContact CD1-CE 3.95Å; I113-M231 HydrophobicContact CD1-SD 4.47Å; I113-M231 HydrophobicContact CG1-CE 4.08Å; I113-M231 HydrophobicContact CG2-CE 3.82Å; I113-M231 HydrophobicContact CG2-CG 3.76Å; I113-M231 HydrophobicContact CG2-SD 3.81Å; Y114-M231 PolarHBondContact O-N 2.86Å; A115-M231 WeakPolarHBondContact CA-O 3.14Å; S116-M231 PolarHBondContact N-O 3.22Å; L122-M231 VanDerWaalsContact CD1-C 3.49Å; V142-M231 HydrophobicContact CB-CB 4.17Å; V142-M231 HydrophobicContact CG2-CE 4.36Å; I229-M231 HydrophobicContact CB-CE 4.11Å; I229-M231 HydrophobicContact CG2-CE 3.31Å; M231-V236 HydrophobicContact CG-CG2 3.8Å; M231-V236 HydrophobicContact SD-CG2 3.45Å; M231-V236 WeakPolarHBondContact SD-CG2 3.5Å; M231-I247 HydrophobicContact CE-CD1 4.24Å; M231-I247 HydrophobicContact CE-CG2 4.34Å; M231-I247 HydrophobicContact SD-CD1 3.84Å
232P92.5Very high88.6Confident4 Ų424 Ų243%0.02613%0.126CC..EExtended strand (participates in β ladder)trans-69.7157173.9-22.535.3000113.4S116 H119 L122 N234 Y235S116-P232 CarbonylContact O-C 3.57Å; S116-P232 VanDerWaalsContact O-CA 3.32Å; S116-P232 WeakPolarHBondContact O-CA 3.33Å; H119-P232 VanDerWaalsContact CE1-CG 3.43Å; H119-P232 WeakPolarHBondContact CE1-CG 3.33Å; H119-P232 VanDerWaalsContact NE2-CG 3.29Å; H119-P232 WeakPolarHBondContact NE2-CG 3.47Å; L122-P232 HydrophobicContact CD1-CG 4.17Å; P232-N234 VanDerWaalsContact C-N 3.32Å; P232-N234 VanDerWaalsContact CB-OD1 3.22Å; P232-N234 WeakPolarHBondContact CB-OD1 3.31Å; P232-N234 PolarHBondContact O-N 2.8Å; P232-Y235 HydrophobicContact CB-CD2 3.96Å; P232-Y235 HydrophobicContact CB-CE2 4.38Å; P232-Y235 HydrophobicContact CG-CD2 3.95Å; P232-Y235 HydrophobicContact CG-CE2 4.02Å; P232-Y235 WeakPolarHBondContact O-CB 3.41Å; P232-Y235 PolarHBondContact O-N 3.45Å
233Y94Very high88.3Confident4 Ų427.3 Ų27.32%0.01615%0.151CC..Hα-helixtrans-51.2-44.9179-75.21.1000114.6A115 S116 R117 Y235 V236 L237 F256 D257 E258 A259 I262 V265A115-Y233 VanDerWaalsContact C-CE1 3.5Å; A115-Y233 HydrophobicContact CB-CD1 3.74Å; A115-Y233 HydrophobicContact CB-CE1 4.09Å; A115-Y233 WeakPolarHBondContact O-CE1 3.28Å; S116-Y233 VanDerWaalsContact C-CE1 3.45Å; S116-Y233 VanDerWaalsContact O-CD1 3.29Å; S116-Y233 WeakPolarHBondContact O-CD1 3.25Å; S116-Y233 PolarHBondContact O-N 2.87Å; R117-Y233 HydrophobicContact CB-CD2 4.39Å; R117-Y233 HydrophobicContact CB-CE2 4.23Å; Y233-Y235 PolarHBondContact O-N 3.37Å; Y233-V236 PolarHBondContact O-N 3.11Å; Y233-L237 PolarHBondContact O-N 2.97Å; Y233-F256 AromaticContact CD1-CD1 3.6Å; Y233-F256 HydrophobicContact CD1-CD1 3.6Å; Y233-F256 HydrophobicContact CD1-CE1 4.21Å; Y233-F256 HydrophobicContact CE1-CB 3.94Å; Y233-F256 AromaticContact CE1-CD1 3.55Å; Y233-F256 HydrophobicContact CE1-CD1 3.55Å; Y233-F256 HydrophobicContact CE1-CG 4.24Å; Y233-F256 HydrophobicContact CG-CD1 4.13Å; Y233-F256 HydrophobicContact CG-CE1 4.49Å; Y233-D257 PolarHBondContact OH-O 3.26Å; Y233-E258 PolarHBondContact OH-O 3.17Å; Y233-A259 WeakPolarHBondContact OH-CA 3.13Å; Y233-A259 PolarHBondContact OH-N 3.48Å; Y233-A259 VanDerWaalsContact OH-N 3.1Å; Y233-I262 HydrophobicContact CD2-CD1 4.47Å; Y233-I262 HydrophobicContact CE2-CD1 4.39Å; Y233-V265 HydrophobicContact CD2-CG1 4.45Å; Y233-V265 HydrophobicContact CD2-CG2 4.27Å
234N91.4Very high87.7Confident69 Ų6930.6 Ų30.637%0.36917%0.17SC..Hα-helixtrans-64-25-177.461.8-41.9000112.4P232 V236 D238 I241P232-N234 VanDerWaalsContact C-N 3.32Å; P232-N234 VanDerWaalsContact CB-OD1 3.22Å; P232-N234 WeakPolarHBondContact CB-OD1 3.31Å; P232-N234 PolarHBondContact O-N 2.8Å; N234-V236 PolarHBondContact O-N 3.43Å; N234-D238 WeakPolarHBondContact O-CB 3.4Å; N234-D238 PolarHBondContact O-N 3.19Å; N234-D238 VanDerWaalsContact O-N 3.12Å; N234-I241 HydrophobicContact CB-CD1 3.95Å; N234-I241 WeakPolarHBondContact ND2-CD1 3.29Å
235Y91.6Very high87.7Confident13 Ų1328.5 Ų28.55%0.05115%0.154CC..Hα-helixtrans-70.4-21.2175.3-76.5-121.3000112.5V142 S144 P232 Y233 I241 R242 Y245 I247V142-Y235 HydrophobicContact CG1-CD1 3.88Å; V142-Y235 HydrophobicContact CG1-CE1 3.76Å; S144-Y235 VanDerWaalsContact CB-OH 3.31Å; S144-Y235 WeakPolarHBondContact CB-OH 3.4Å; P232-Y235 HydrophobicContact CB-CD2 3.96Å; P232-Y235 HydrophobicContact CB-CE2 4.38Å; P232-Y235 HydrophobicContact CG-CD2 3.95Å; P232-Y235 HydrophobicContact CG-CE2 4.02Å; P232-Y235 WeakPolarHBondContact O-CB 3.41Å; P232-Y235 PolarHBondContact O-N 3.45Å; Y233-Y235 PolarHBondContact O-N 3.37Å; Y235-I241 HydrophobicContact CD1-CG2 3.85Å; Y235-I241 HydrophobicContact CD2-CG2 3.98Å; Y235-I241 HydrophobicContact CE1-CG2 4.2Å; Y235-I241 HydrophobicContact CE2-CG2 4.31Å; Y235-I241 HydrophobicContact CG-CG2 3.73Å; Y235-R242 WeakPolarHBondContact O-CG 3.4Å; Y235-Y245 HydrophobicContact CD1-CD1 4.43Å; Y235-Y245 AromaticContact CD1-CD2 3.96Å; Y235-Y245 HydrophobicContact CD1-CD2 3.96Å; Y235-Y245 HydrophobicContact CD1-CE2 4.15Å; Y235-Y245 HydrophobicContact CD1-CG 4.11Å; Y235-Y245 AromaticContact CE1-CD1 3.95Å; Y235-Y245 HydrophobicContact CE1-CD1 3.95Å; Y235-Y245 AromaticContact CE1-CD2 3.7Å; Y235-Y245 HydrophobicContact CE1-CD2 3.7Å; Y235-Y245 AromaticContact CE1-CE1 3.72Å; Y235-Y245 HydrophobicContact CE1-CE1 3.72Å; Y235-Y245 AromaticContact CE1-CE2 3.45Å; Y235-Y245 HydrophobicContact CE1-CE2 3.45Å; Y235-Y245 VanDerWaalsContact CE1-CE2 3.45Å; Y235-Y245 AromaticContact CE1-CG 3.95Å; Y235-Y245 HydrophobicContact CE1-CG 3.95Å; Y235-Y245 AromaticContact CE1-CZ 3.46Å; Y235-Y245 VanDerWaalsContact CE1-CZ 3.46Å; Y235-Y245 AromaticContact CZ-CE2 3.94Å; Y235-Y245 AromaticContact CZ-CZ 3.91Å; Y235-Y245 PolarHBondContact OH-OH 2.83Å; Y235-I247 HydrophobicContact CD1-CD1 4.31Å; Y235-I247 VanDerWaalsContact O-CD1 3.31Å; Y235-I247 WeakPolarHBondContact O-CD1 3.33Å
236V93.8Very high87.9Confident0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-99-42.1179-175.20000111.6I113 A115 M231 Y233 N234 R242 L249 V254 F256 L511I113-V236 HydrophobicContact CG2-CG2 3.82Å; A115-V236 HydrophobicContact CB-CG2 4.19Å; M231-V236 HydrophobicContact CG-CG2 3.8Å; M231-V236 HydrophobicContact SD-CG2 3.45Å; M231-V236 WeakPolarHBondContact SD-CG2 3.5Å; Y233-V236 PolarHBondContact O-N 3.11Å; N234-V236 PolarHBondContact O-N 3.43Å; V236-R242 WeakPolarHBondContact O-CD 3.37Å; V236-R242 PolarHBondContact O-NE 3.36Å; V236-L249 HydrophobicContact CG1-CD1 4.5Å; V236-V254 HydrophobicContact CG1-CG1 3.85Å; V236-V254 HydrophobicContact CG1-CG2 4.33Å; V236-F256 HydrophobicContact CB-CE1 4.37Å; V236-F256 HydrophobicContact CB-CZ 4.39Å; V236-F256 HydrophobicContact CG1-CE1 4.45Å; V236-F256 HydrophobicContact CG1-CZ 3.99Å; V236-L511 HydrophobicContact CG1-CD1 3.84Å
237L92.7Very high88Confident1 Ų130.8 Ų30.81%0.00517%0.166CC..Hα-helixtrans-84.3-31.8-172.2-66.7169000112.7Y233 P239 F256 I262 V265 A269 I508 L511Y233-L237 PolarHBondContact O-N 2.97Å; L237-P239 VanDerWaalsContact O-CD 3.31Å; L237-P239 WeakPolarHBondContact O-CD 3.49Å; L237-F256 HydrophobicContact CD1-CE1 3.97Å; L237-F256 HydrophobicContact CD1-CZ 4.35Å; L237-F256 HydrophobicContact CD2-CE1 4.13Å; L237-F256 HydrophobicContact CD2-CZ 3.67Å; L237-F256 HydrophobicContact CG-CE1 3.9Å; L237-F256 HydrophobicContact CG-CZ 3.94Å; L237-I262 HydrophobicContact CD1-CD1 3.71Å; L237-V265 HydrophobicContact CD1-CB 4.29Å; L237-V265 HydrophobicContact CD1-CG1 3.69Å; L237-A269 HydrophobicContact CB-CB 4.35Å; L237-I508 HydrophobicContact CD2-CD1 4.4Å; L237-L511 HydrophobicContact CD2-CD2 4.37Å
238D88.4Confident88Confident13 Ų1333.6 Ų33.67%0.0718%0.179CC..  trans-85.7113.9-178.5-166.4-34.1000110.5N234 R240 I241 R242 A269N234-D238 WeakPolarHBondContact O-CB 3.4Å; N234-D238 PolarHBondContact O-N 3.19Å; N234-D238 VanDerWaalsContact O-N 3.12Å; D238-R240 VanDerWaalsContact CG-NE 3.27Å; D238-R240 PolarHBondContact O-N 3.22Å; D238-R240 WeakPolarHBondContact OD1-CA 3.07Å; D238-R240 WeakPolarHBondContact OD1-CB 3.27Å; D238-R240 VanDerWaalsContact OD1-CG 3.24Å; D238-R240 WeakPolarHBondContact OD1-CG 3.03Å; D238-R240 IonicContact OD1-CZ 2.72Å; D238-R240 PolarHBondContact OD1-N 3.43Å; D238-R240 IonicContact OD1-NE 2.8Å; D238-R240 PolarHBondContact OD1-NE 3.45Å; D238-R240 IonicContact OD1-NH2 3.32Å; D238-R240 IonicContact OD2-CZ 2.73Å; D238-R240 VanDerWaalsContact OD2-CZ 3.24Å; D238-R240 IonicContact OD2-NE 3.16Å; D238-R240 PolarHBondContact OD2-NE 3.39Å; D238-R240 IonicContact OD2-NH2 2.91Å; D238-R240 PolarHBondContact OD2-NH2 3.01Å; D238-I241 HydrophobicContact CB-CB 4.16Å; D238-I241 HydrophobicContact CB-CD1 3.96Å; D238-I241 HydrophobicContact CB-CG1 3.92Å; D238-I241 PolarHBondContact O-N 3.45Å; D238-R242 WeakPolarHBondContact O-CG 3.48Å; D238-R242 PolarHBondContact O-N 3Å; D238-A269 HydrophobicContact CB-CB 4.42Å
239P83.8Confident87.9Confident39 Ų3933.6 Ų33.625%0.25318%0.179SC..Hα-helixtrans-57.4-32.6177.1-19.430.9000113L237 R242 S243 Q510L237-P239 VanDerWaalsContact O-CD 3.31Å; L237-P239 WeakPolarHBondContact O-CD 3.49Å; P239-R242 PolarHBondContact O-N 3.22Å; P239-S243 PolarHBondContact O-N 3.41Å; P239-S243 PolarHBondContact O-OG 3.49Å; P239-Q510 VanDerWaalsContact CG-OE1 3.25Å
240R78.9Confident87.7Confident71 Ų7137.9 Ų37.927%0.26820%0.198SC..Hα-helixtrans-65.9-44.3-179.1-52.1167.7-76.5-162.60.1110.5D238 S243 L244 E426D238-R240 VanDerWaalsContact CG-NE 3.27Å; D238-R240 PolarHBondContact O-N 3.22Å; D238-R240 WeakPolarHBondContact OD1-CA 3.07Å; D238-R240 WeakPolarHBondContact OD1-CB 3.27Å; D238-R240 VanDerWaalsContact OD1-CG 3.24Å; D238-R240 WeakPolarHBondContact OD1-CG 3.03Å; D238-R240 IonicContact OD1-CZ 2.72Å; D238-R240 PolarHBondContact OD1-N 3.43Å; D238-R240 IonicContact OD1-NE 2.8Å; D238-R240 PolarHBondContact OD1-NE 3.45Å; D238-R240 IonicContact OD1-NH2 3.32Å; D238-R240 IonicContact OD2-CZ 2.73Å; D238-R240 VanDerWaalsContact OD2-CZ 3.24Å; D238-R240 IonicContact OD2-NE 3.16Å; D238-R240 PolarHBondContact OD2-NE 3.39Å; D238-R240 IonicContact OD2-NH2 2.91Å; D238-R240 PolarHBondContact OD2-NH2 3.01Å; R240-S243 PolarHBondContact O-OG 3.33Å; R240-L244 WeakPolarHBondContact O-CB 3.28Å; R240-L244 WeakPolarHBondContact O-CD1 3.44Å; R240-L244 WeakPolarHBondContact O-CG 3.43Å; R240-L244 PolarHBondContact O-N 3.08Å; R240-E426 WeakPolarHBondContact CD-OE2 3.26Å; R240-E426 WeakPolarHBondContact CG-OE2 3.29Å
241I83.4Confident87.5Confident30 Ų3040 Ų4015%0.15421%0.21CC..Hα-helixtrans-72.8-40.8179.1-55.8179.4000109.8N234 Y235 D238 S243 L244 Y245N234-I241 HydrophobicContact CB-CD1 3.95Å; N234-I241 WeakPolarHBondContact ND2-CD1 3.29Å; Y235-I241 HydrophobicContact CD1-CG2 3.85Å; Y235-I241 HydrophobicContact CD2-CG2 3.98Å; Y235-I241 HydrophobicContact CE1-CG2 4.2Å; Y235-I241 HydrophobicContact CE2-CG2 4.31Å; Y235-I241 HydrophobicContact CG-CG2 3.73Å; D238-I241 HydrophobicContact CB-CB 4.16Å; D238-I241 HydrophobicContact CB-CD1 3.96Å; D238-I241 HydrophobicContact CB-CG1 3.92Å; D238-I241 PolarHBondContact O-N 3.45Å; I241-S243 PolarHBondContact O-N 3.28Å; I241-L244 PolarHBondContact O-N 3.15Å; I241-Y245 HydrophobicContact CG2-CD2 3.66Å; I241-Y245 HydrophobicContact CG2-CE2 3.88Å; I241-Y245 WeakPolarHBondContact O-CD2 3.42Å; I241-Y245 PolarHBondContact O-N 3.36Å
242R87.2Confident87.5Confident18 Ų1840.2 Ų40.27%0.06821%0.211CC..Hα-helixtrans-56.2-47.2176-78.8-171.2-72.9173.51.7113Y235 V236 D238 P239 Y245 N246 I247Y235-R242 WeakPolarHBondContact O-CG 3.4Å; V236-R242 WeakPolarHBondContact O-CD 3.37Å; V236-R242 PolarHBondContact O-NE 3.36Å; D238-R242 WeakPolarHBondContact O-CG 3.48Å; D238-R242 PolarHBondContact O-N 3Å; P239-R242 PolarHBondContact O-N 3.22Å; R242-Y245 PolarHBondContact O-N 3.05Å; R242-N246 PolarHBondContact O-N 3.23Å; R242-I247 HydrophobicContact CG-CB 4.42Å; R242-I247 PolarHBondContact O-N 3.48Å
243S79.6Confident87.6Confident88 Ų8840 Ų4062%0.61521%0.21SC*.Hα-helixtrans-65.2-43.7178.865.20000111.3P239 R240 I241 Y245 N246P239-S243 PolarHBondContact O-N 3.41Å; P239-S243 PolarHBondContact O-OG 3.49Å; R240-S243 PolarHBondContact O-OG 3.33Å; I241-S243 PolarHBondContact O-N 3.28Å; S243-Y245 VanDerWaalsContact C-N 3.3Å; S243-Y245 PolarHBondContact O-N 2.89Å; S243-N246 PolarHBondContact O-N 3.14Å
244L76.4Confident87.8Confident90 Ų9039.8 Ų39.847%0.47121%0.209SC..Hα-helixtrans-60.4-34.7177.3-75170.1000113.8R240 I241R240-L244 WeakPolarHBondContact O-CB 3.28Å; R240-L244 WeakPolarHBondContact O-CD1 3.44Å; R240-L244 WeakPolarHBondContact O-CG 3.43Å; R240-L244 PolarHBondContact O-N 3.08Å; I241-L244 PolarHBondContact O-N 3.15Å
245Y80.7Confident88.1Confident22 Ų2236.6 Ų36.69%0.08619%0.191CC..Hα-helixtrans-97.81.7180-75.9-90.7000113.9V142 Y216 K223 Y235 I241 R242 S243 I247V142-Y245 HydrophobicContact CG1-CD1 4.02Å; V142-Y245 HydrophobicContact CG1-CE1 4.31Å; Y216-Y245 AromaticContact CE2-CE1 3.99Å; Y216-Y245 HydrophobicContact CE2-CE1 3.99Å; K223-Y245 PolarHBondContact NZ-O 2.87Å; Y235-Y245 HydrophobicContact CD1-CD1 4.43Å; Y235-Y245 AromaticContact CD1-CD2 3.96Å; Y235-Y245 HydrophobicContact CD1-CD2 3.96Å; Y235-Y245 HydrophobicContact CD1-CE2 4.15Å; Y235-Y245 HydrophobicContact CD1-CG 4.11Å; Y235-Y245 AromaticContact CE1-CD1 3.95Å; Y235-Y245 HydrophobicContact CE1-CD1 3.95Å; Y235-Y245 AromaticContact CE1-CD2 3.7Å; Y235-Y245 HydrophobicContact CE1-CD2 3.7Å; Y235-Y245 AromaticContact CE1-CE1 3.72Å; Y235-Y245 HydrophobicContact CE1-CE1 3.72Å; Y235-Y245 AromaticContact CE1-CE2 3.45Å; Y235-Y245 HydrophobicContact CE1-CE2 3.45Å; Y235-Y245 VanDerWaalsContact CE1-CE2 3.45Å; Y235-Y245 AromaticContact CE1-CG 3.95Å; Y235-Y245 HydrophobicContact CE1-CG 3.95Å; Y235-Y245 AromaticContact CE1-CZ 3.46Å; Y235-Y245 VanDerWaalsContact CE1-CZ 3.46Å; Y235-Y245 AromaticContact CZ-CE2 3.94Å; Y235-Y245 AromaticContact CZ-CZ 3.91Å; Y235-Y245 PolarHBondContact OH-OH 2.83Å; I241-Y245 HydrophobicContact CG2-CD2 3.66Å; I241-Y245 HydrophobicContact CG2-CE2 3.88Å; I241-Y245 WeakPolarHBondContact O-CD2 3.42Å; I241-Y245 PolarHBondContact O-N 3.36Å; R242-Y245 PolarHBondContact O-N 3.05Å; S243-Y245 VanDerWaalsContact C-N 3.3Å; S243-Y245 PolarHBondContact O-N 2.89Å; Y245-I247 PolarHBondContact O-N 3.2Å
246N84.6Confident88.3Confident124 Ų12436 Ų3666%0.66319%0.189SC*.THydrogen-bonded Turntrans48.856.2-175.8-166.922.6000111.8K223 R242 S243K223-N246 PolarHBondContact NZ-O 3.1Å; R242-N246 PolarHBondContact O-N 3.23Å; S243-N246 PolarHBondContact O-N 3.14Å
247I87.4Confident88.4Confident16 Ų1636.2 Ų36.28%0.08219%0.191CC..  trans-91.6106.2179.2-62.1168.6000108.2I113 M231 Y235 R242 Y245 L249I113-I247 HydrophobicContact CD1-CG2 4.12Å; M231-I247 HydrophobicContact CE-CD1 4.24Å; M231-I247 HydrophobicContact CE-CG2 4.34Å; M231-I247 HydrophobicContact SD-CD1 3.84Å; Y235-I247 HydrophobicContact CD1-CD1 4.31Å; Y235-I247 VanDerWaalsContact O-CD1 3.31Å; Y235-I247 WeakPolarHBondContact O-CD1 3.33Å; R242-I247 HydrophobicContact CG-CB 4.42Å; R242-I247 PolarHBondContact O-N 3.48Å; Y245-I247 PolarHBondContact O-N 3.2Å; I247-L249 HydrophobicContact CG2-CD2 3.73Å; I247-L249 HydrophobicContact CG2-CG 4.34Å
248N87.7Confident88.2Confident93 Ų9338 Ų3850%0.49720%0.199SC..  trans-81.6134171.1-172.73.6000109.7E250N248-E250 WeakPolarHBondContact OD1-CB 3.49Å; N248-E250 PolarHBondContact OD1-N 2.85Å
249L90.2Very high88.4Confident1 Ų137.3 Ų37.31%0.00520%0.195CC..  trans-116.20.4-179-62-174.6000113.8I113 V236 I247 N251 T252 L511 Q514 V516I113-L249 HydrophobicContact CD1-CD2 3.36Å; V236-L249 HydrophobicContact CG1-CD1 4.5Å; I247-L249 HydrophobicContact CG2-CD2 3.73Å; I247-L249 HydrophobicContact CG2-CG 4.34Å; L249-N251 PolarHBondContact O-N 2.94Å; L249-T252 VanDerWaalsContact O-CB 3.27Å; L249-T252 WeakPolarHBondContact O-CB 3.34Å; L249-T252 PolarHBondContact O-N 3.37Å; L249-T252 PolarHBondContact O-OG1 2.95Å; L249-L511 HydrophobicContact CD1-CD1 3.28Å; L249-Q514 CarbonylContact C-O 3.56Å; L249-Q514 HydrophobicContact CB-CB 3.94Å; L249-Q514 HydrophobicContact CD1-CB 4.38Å; L249-Q514 HydrophobicContact CD1-CG 4.48Å; L249-V516 HydrophobicContact CB-CG2 3.74Å; L249-V516 HydrophobicContact CD1-CG2 4.16Å
250E90Very high88.6Confident100 Ų10035.9 Ų35.947%0.46719%0.185SC..THydrogen-bonded Turntrans-57.4129.7176.2-173.9-179.7-163.500110.3N248 T252 Q514 N515N248-E250 WeakPolarHBondContact OD1-CB 3.49Å; N248-E250 PolarHBondContact OD1-N 2.85Å; E250-T252 PolarHBondContact O-N 2.94Å; E250-T252 PolarHBondContact O-OG1 3.34Å; E250-T252 VanDerWaalsContact O-OG1 3.13Å; E250-Q514 WeakPolarHBondContact CA-O 3.26Å; E250-Q514 PolarHBondContact N-O 3.4Å; E250-N515 HydrophobicContact CG-CB 4.36Å
251N89.4Confident89Confident45 Ų4534 Ų3424%0.24118%0.18CC..THydrogen-bonded Turntrans51.428-179.1-164.934.9000114.4L249 N515L249-N251 PolarHBondContact O-N 2.94Å; N251-N515 PolarHBondContact N-O 3.03Å
252T93.2Very high89.5Confident3 Ų332.6 Ų32.62%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-100.4137.1-178.5-610000110.2K111 I113 L249 E250 V516 R517K111-T252 HydrophobicContact CB-CG2 4.1Å; K111-T252 CarbonylContact O-C 3.59Å; K111-T252 WeakPolarHBondContact O-CA 3.48Å; K111-T252 WeakPolarHBondContact O-CG2 3.34Å; I113-T252 HydrophobicContact CB-CG2 4.36Å; I113-T252 HydrophobicContact CD1-CG2 3.71Å; I113-T252 HydrophobicContact CG1-CG2 3.71Å; L249-T252 VanDerWaalsContact O-CB 3.27Å; L249-T252 WeakPolarHBondContact O-CB 3.34Å; L249-T252 PolarHBondContact O-N 3.37Å; L249-T252 PolarHBondContact O-OG1 2.95Å; E250-T252 PolarHBondContact O-N 2.94Å; E250-T252 PolarHBondContact O-OG1 3.34Å; E250-T252 VanDerWaalsContact O-OG1 3.13Å; T252-V516 WeakPolarHBondContact O-CG1 3.47Å; T252-R517 WeakPolarHBondContact O-CB 3.44Å; T252-R517 PolarHBondContact O-N 3.45Å
253T95.9Very high89.8Confident0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-87.4126.2167.6-70.70000109.4L32 K111 I112 I113 I255 C518 I520L32-T253 HydrophobicContact CD2-CG2 3.73Å; K111-T253 PolarHBondContact O-N 3.47Å; I112-T253 CarbonylContact C-O 3.57Å; I112-T253 WeakPolarHBondContact CA-O 3.44Å; I113-T253 PolarHBondContact N-O 3.48Å; T253-I255 HydrophobicContact CG2-CG1 4.19Å; T253-C518 WeakPolarHBondContact CA-O 3.35Å; T253-C518 WeakPolarHBondContact CG2-SG 3.39Å; T253-C518 PolarHBondContact OG1-SG 3.05Å; T253-I520 HydrophobicContact CG2-CD1 4.25Å; T253-I520 HydrophobicContact CG2-CG1 4.47Å
254V97Very high90.4Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-106.1122.6178.4-179.30000109.5V236 F256 V516 C518 I519 I520V236-V254 HydrophobicContact CG1-CG1 3.85Å; V236-V254 HydrophobicContact CG1-CG2 4.33Å; V254-F256 HydrophobicContact CB-CE2 4.36Å; V254-F256 HydrophobicContact CG1-CD2 3.91Å; V254-F256 HydrophobicContact CG1-CE1 4.24Å; V254-F256 HydrophobicContact CG1-CE2 3.37Å; V254-F256 HydrophobicContact CG1-CZ 3.56Å; V254-V516 HydrophobicContact CG2-CG1 4.02Å; V254-V516 HydrophobicContact CG2-CG2 4.41Å; V254-C518 PolarHBondContact N-O 2.7Å; V254-I519 CarbonylContact O-C 3.59Å; V254-I519 VanDerWaalsContact O-CA 3.3Å; V254-I519 WeakPolarHBondContact O-CA 3.35Å; V254-I520 PolarHBondContact O-N 2.98Å
255I97.7Very high91.2Very high1 Ų128.3 Ų28.31%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-108.8120.8176.9-53175000108.6L52 I112 I113 A115 T253 I520L52-I255 HydrophobicContact CD1-CD1 4.09Å; L52-I255 HydrophobicContact CD1-CG2 4.09Å; L52-I255 HydrophobicContact CD2-CG2 3.5Å; L52-I255 HydrophobicContact CG-CD1 4.33Å; L52-I255 HydrophobicContact CG-CG2 4.2Å; I112-I255 HydrophobicContact CG2-CD1 3.53Å; I112-I255 HydrophobicContact CG2-CG1 4.06Å; I113-I255 PolarHBondContact O-N 3.42Å; A115-I255 WeakPolarHBondContact CA-O 3.44Å; A115-I255 WeakPolarHBondContact CB-O 3.45Å; A115-I255 PolarHBondContact N-O 2.89Å; T253-I255 HydrophobicContact CG2-CG1 4.19Å; I255-I520 CarbonylContact C-O 3.59Å; I255-I520 WeakPolarHBondContact CA-O 3.31Å; I255-I520 HydrophobicContact CG1-CB 4.24Å; I255-I520 HydrophobicContact CG1-CD1 4.33Å; I255-I520 HydrophobicContact CG2-CB 4.3Å; I255-I520 HydrophobicContact CG2-CG2 4.39Å
256F96.9Very high91.9Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-102.4105.7172.4-66.1-81.2000109.2A115 Y233 V236 L237 V254 A259 I262 L511 I519 I520 L521 T522A115-F256 HydrophobicContact CB-CD1 3.84Å; A115-F256 HydrophobicContact CB-CE1 4.08Å; Y233-F256 AromaticContact CD1-CD1 3.6Å; Y233-F256 HydrophobicContact CD1-CD1 3.6Å; Y233-F256 HydrophobicContact CD1-CE1 4.21Å; Y233-F256 HydrophobicContact CE1-CB 3.94Å; Y233-F256 AromaticContact CE1-CD1 3.55Å; Y233-F256 HydrophobicContact CE1-CD1 3.55Å; Y233-F256 HydrophobicContact CE1-CG 4.24Å; Y233-F256 HydrophobicContact CG-CD1 4.13Å; Y233-F256 HydrophobicContact CG-CE1 4.49Å; V236-F256 HydrophobicContact CB-CE1 4.37Å; V236-F256 HydrophobicContact CB-CZ 4.39Å; V236-F256 HydrophobicContact CG1-CE1 4.45Å; V236-F256 HydrophobicContact CG1-CZ 3.99Å; L237-F256 HydrophobicContact CD1-CE1 3.97Å; L237-F256 HydrophobicContact CD1-CZ 4.35Å; L237-F256 HydrophobicContact CD2-CE1 4.13Å; L237-F256 HydrophobicContact CD2-CZ 3.67Å; L237-F256 HydrophobicContact CG-CE1 3.9Å; L237-F256 HydrophobicContact CG-CZ 3.94Å; V254-F256 HydrophobicContact CB-CE2 4.36Å; V254-F256 HydrophobicContact CG1-CD2 3.91Å; V254-F256 HydrophobicContact CG1-CE1 4.24Å; V254-F256 HydrophobicContact CG1-CE2 3.37Å; V254-F256 HydrophobicContact CG1-CZ 3.56Å; F256-A259 HydrophobicContact CB-CB 4.09Å; F256-I262 HydrophobicContact CD1-CD1 3.86Å; F256-I262 HydrophobicContact CD2-CD1 4.49Å; F256-I262 HydrophobicContact CE1-CD1 4.11Å; F256-I262 HydrophobicContact CG-CD1 4.07Å; F256-L511 HydrophobicContact CE2-CD2 4.13Å; F256-L511 HydrophobicContact CZ-CD2 4.18Å; F256-I519 HydrophobicContact CD2-CG2 3.83Å; F256-I519 HydrophobicContact CE2-CG2 3.87Å; F256-I520 PolarHBondContact N-O 3.26Å; F256-L521 HydrophobicContact CB-CD2 3.78Å; F256-L521 HydrophobicContact CD2-CD2 3.65Å; F256-L521 HydrophobicContact CG-CD2 4.07Å; F256-T522 PolarHBondContact O-N 2.82Å
257D94.6Very high92.3Very high6 Ų621.5 Ų21.53%0.03211%0.109CC..EExtended strand (participates in β ladder)trans-94135.8176.5-178.338.3000112.1Y114 A115 S116 Y233 T522Y114-D257 HydrophobicContact CE1-CB 3.72Å; Y114-D257 HydrophobicContact CE2-CB 4.39Å; Y114-D257 WeakPolarHBondContact OH-CB 3.05Å; Y114-D257 PolarHBondContact OH-OD2 3.41Å; A115-D257 PolarHBondContact O-N 3.39Å; S116-D257 PolarHBondContact OG-O 2.95Å; Y233-D257 PolarHBondContact OH-O 3.26Å; D257-T522 HydrophobicContact CB-CG2 4.14Å; D257-T522 WeakPolarHBondContact OD1-CG2 3.27Å
258E90.4Very high92.6Very high37 Ų3724 Ų2417%0.17312%0.122CC..THydrogen-bonded Turntrans64.143.9-166.4-64.6-62.6152.100112.9Y233 H260 T522Y233-E258 PolarHBondContact OH-O 3.17Å; E258-H260 PolarHBondContact O-N 2.96Å; E258-H260 PolarHBondContact O-ND1 2.9Å; E258-H260 IonicContact OE2-CE1 3.95Å; E258-H260 IonicContact OE2-ND1 3.44Å; E258-H260 PolarHBondContact OE2-ND1 3.24Å; E258-T522 PolarHBondContact N-O 3.17Å
259A92.2Very high92.7Very high0 Ų020.1 Ų20.10%010%0.103CC..G310 helixtrans-71.621.3-174.900000116.4Y233 F256 N261 I262 L521 T522 L526Y233-A259 WeakPolarHBondContact OH-CA 3.13Å; Y233-A259 PolarHBondContact OH-N 3.48Å; Y233-A259 VanDerWaalsContact OH-N 3.1Å; F256-A259 HydrophobicContact CB-CB 4.09Å; A259-N261 PolarHBondContact O-N 3.17Å; A259-I262 HydrophobicContact CB-CB 4.33Å; A259-I262 WeakPolarHBondContact O-CB 3.43Å; A259-I262 VanDerWaalsContact O-CG2 3.27Å; A259-I262 WeakPolarHBondContact O-CG2 3.31Å; A259-I262 PolarHBondContact O-N 2.97Å; A259-L521 HydrophobicContact CB-CB 4.16Å; A259-L521 HydrophobicContact CB-CD2 4.22Å; A259-T522 PolarHBondContact N-O 3.23Å; A259-L526 HydrophobicContact CB-CD2 4.25Å
260H86.8Confident92.7Very high9 Ų920.1 Ų20.14%0.04210%0.103CC..G310 helixtrans-72.2-13-177.160.5-107000114.4R117 E258 T525 Q748R117-H260 PolarHBondContact NH1-NE2 3.35Å; E258-H260 PolarHBondContact O-N 2.96Å; E258-H260 PolarHBondContact O-ND1 2.9Å; E258-H260 IonicContact OE2-CE1 3.95Å; E258-H260 IonicContact OE2-ND1 3.44Å; E258-H260 PolarHBondContact OE2-ND1 3.24Å; H260-T525 VanDerWaalsContact CB-OG1 3.31Å; H260-T525 WeakPolarHBondContact CB-OG1 3.24Å; H260-Q748 PolarHBondContact CD2-NE2 3.28Å; H260-Q748 VanDerWaalsContact CG-NE2 3.3Å; H260-Q748 PolarHBondContact NE2-NE2 2.92Å; H260-Q748 VanDerWaalsContact NE2-NE2 3.17Å
261N88.3Confident92.9Very high31 Ų3115.9 Ų15.917%0.1669%0.085CC..G310 helixtrans-118.319.7174-63.4143.9000113.1R117 A259 E263 Q264 V265R117-N261 PolarHBondContact NH1-OD1 2.92Å; A259-N261 PolarHBondContact O-N 3.17Å; N261-E263 VanDerWaalsContact C-N 3.28Å; N261-E263 PolarHBondContact O-N 3.43Å; N261-Q264 PolarHBondContact O-N 3.34Å; N261-V265 WeakPolarHBondContact O-CG2 3.29Å; N261-V265 PolarHBondContact O-N 3.16Å; N261-V265 VanDerWaalsContact O-N 3.15Å
262I93Very high93Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-59.1-38.1-175.3-168.663.4000112.5Y233 L237 F256 A259 Q264 V265 C266 L521 I532 L536Y233-I262 HydrophobicContact CD2-CD1 4.47Å; Y233-I262 HydrophobicContact CE2-CD1 4.39Å; L237-I262 HydrophobicContact CD1-CD1 3.71Å; F256-I262 HydrophobicContact CD1-CD1 3.86Å; F256-I262 HydrophobicContact CD2-CD1 4.49Å; F256-I262 HydrophobicContact CE1-CD1 4.11Å; F256-I262 HydrophobicContact CG-CD1 4.07Å; A259-I262 HydrophobicContact CB-CB 4.33Å; A259-I262 WeakPolarHBondContact O-CB 3.43Å; A259-I262 VanDerWaalsContact O-CG2 3.27Å; A259-I262 WeakPolarHBondContact O-CG2 3.31Å; A259-I262 PolarHBondContact O-N 2.97Å; I262-Q264 PolarHBondContact O-N 2.73Å; I262-V265 PolarHBondContact O-N 3.29Å; I262-C266 WeakPolarHBondContact O-CB 3.39Å; I262-C266 PolarHBondContact O-N 3.48Å; I262-C266 PolarHBondContact O-SG 2.92Å; I262-L521 HydrophobicContact CG1-CD2 4.45Å; I262-L521 HydrophobicContact CG2-CD1 4.47Å; I262-I532 HydrophobicContact CG2-CG2 4.21Å; I262-L536 HydrophobicContact CG2-CD1 4.2Å; I262-L536 HydrophobicContact CG2-CD2 4.47Å
263E93.2Very high93.1Very high4 Ų416.9 Ų16.92%0.0199%0.093CC..Hα-helixtrans-59.6-50.6178.6-58.7125.9138.200110.9N261 V265 C266 E267 P504 E535 R744N261-E263 VanDerWaalsContact C-N 3.28Å; N261-E263 PolarHBondContact O-N 3.43Å; E263-V265 VanDerWaalsContact C-N 3.33Å; E263-V265 PolarHBondContact O-N 3.46Å; E263-C266 WeakPolarHBondContact O-CB 3.49Å; E263-C266 PolarHBondContact O-N 2.95Å; E263-E267 WeakPolarHBondContact O-CG 3.23Å; E263-E267 PolarHBondContact O-N 3.46Å; E263-P504 HydrophobicContact CB-CB 4.04Å; E263-P504 HydrophobicContact CB-CG 3.96Å; E263-P504 HydrophobicContact CG-CG 4.13Å; E263-P504 WeakPolarHBondContact O-CB 3.36Å; E263-E535 HydrophobicContact CG-CB 4.44Å; E263-R744 IonicContact OE1-CZ 3.95Å; E263-R744 IonicContact OE1-NH1 3.51Å; E263-R744 PolarHBondContact OE1-NH1 3.18Å; E263-R744 IonicContact OE1-NH2 2.64Å; E263-R744 PolarHBondContact OE1-NH2 3.02Å; E263-R744 IonicContact OE2-CZ 3.55Å; E263-R744 IonicContact OE2-NH1 3.52Å; E263-R744 PolarHBondContact OE2-NH1 3.05Å; E263-R744 IonicContact OE2-NH2 3.71Å
264Q92.6Very high93Very high71 Ų7117.1 Ų17.133%0.3329%0.094SC..Hα-helixtrans-60.3-42.1179.9-178.76245.100112N261 I262 E267 D268 R699N261-Q264 PolarHBondContact O-N 3.34Å; I262-Q264 PolarHBondContact O-N 2.73Å; Q264-E267 PolarHBondContact O-N 3.37Å; Q264-D268 PolarHBondContact NE2-OD1 3.37Å; Q264-D268 PolarHBondContact NE2-OD2 3.1Å; Q264-D268 WeakPolarHBondContact O-CB 3.44Å; Q264-D268 VanDerWaalsContact O-CG 3.26Å; Q264-D268 PolarHBondContact O-N 2.95Å; Q264-R699 VanDerWaalsContact NE2-NH2 3.1Å
265V93.4Very high92.8Very high31 Ų3117.8 Ų17.819%0.18810%0.098CC..Hα-helixtrans-67.5-37.1179.6-179.20000111.3Y233 L237 N261 I262 E263 A269Y233-V265 HydrophobicContact CD2-CG1 4.45Å; Y233-V265 HydrophobicContact CD2-CG2 4.27Å; L237-V265 HydrophobicContact CD1-CB 4.29Å; L237-V265 HydrophobicContact CD1-CG1 3.69Å; N261-V265 WeakPolarHBondContact O-CG2 3.29Å; N261-V265 PolarHBondContact O-N 3.16Å; N261-V265 VanDerWaalsContact O-N 3.15Å; I262-V265 PolarHBondContact O-N 3.29Å; E263-V265 VanDerWaalsContact C-N 3.33Å; E263-V265 PolarHBondContact O-N 3.46Å; V265-A269 WeakPolarHBondContact O-CB 2.78Å; V265-A269 PolarHBondContact O-N 2.69Å
266C94.6Very high92.5Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-64.7-42.8173.5-73.90000112.5I262 E263 S270 P504 A507I262-C266 WeakPolarHBondContact O-CB 3.39Å; I262-C266 PolarHBondContact O-N 3.48Å; I262-C266 PolarHBondContact O-SG 2.92Å; E263-C266 WeakPolarHBondContact O-CB 3.49Å; E263-C266 PolarHBondContact O-N 2.95Å; C266-S270 PolarHBondContact O-N 3.31Å; C266-S270 PolarHBondContact O-OG 2.72Å; C266-S270 VanDerWaalsContact O-OG 3.04Å; C266-P504 HydrophobicContact CB-CB 3.55Å; C266-P504 WeakPolarHBondContact CB-O 3.37Å; C266-A507 HydrophobicContact CB-CB 3.74Å
267E94.4Very high92.2Very high4 Ų421.1 Ų21.12%0.01912%0.124CC..Hα-helixtrans-62.4-45.2175.1-73.5175.1-166.800111.7E263 Q264 S270 S271 C501 P504 R699 K703E263-E267 WeakPolarHBondContact O-CG 3.23Å; E263-E267 PolarHBondContact O-N 3.46Å; Q264-E267 PolarHBondContact O-N 3.37Å; E267-S270 CarbonylContact O-C 3.59Å; E267-S270 PolarHBondContact O-N 2.89Å; E267-S270 VanDerWaalsContact O-N 3.17Å; E267-S271 WeakPolarHBondContact O-CB 3.31Å; E267-S271 PolarHBondContact O-N 2.91Å; E267-S271 VanDerWaalsContact O-N 3.08Å; E267-S271 PolarHBondContact O-OG 3.04Å; E267-C501 WeakPolarHBondContact CB-O 3.45Å; E267-C501 WeakPolarHBondContact CG-O 3.37Å; E267-P504 HydrophobicContact CG-CB 4.26Å; E267-R699 IonicContact OE2-NH2 3.04Å; E267-K703 WeakPolarHBondContact OE1-CE 3.35Å; E267-K703 IonicContact OE1-NZ 3.88Å; E267-K703 PolarHBondContact OE1-NZ 2.84Å
268D92.5Very high92Very high68 Ų6821.6 Ų21.636%0.36413%0.127SC..Hα-helixtrans-66.9-37.7179-71.1-25.5000112.5Q264 S270 S271 R699Q264-D268 PolarHBondContact NE2-OD1 3.37Å; Q264-D268 PolarHBondContact NE2-OD2 3.1Å; Q264-D268 WeakPolarHBondContact O-CB 3.44Å; Q264-D268 VanDerWaalsContact O-CG 3.26Å; Q264-D268 PolarHBondContact O-N 2.95Å; D268-S270 PolarHBondContact O-N 3.42Å; D268-S271 PolarHBondContact O-N 3.32Å; D268-R699 IonicContact OD1-CZ 3.41Å; D268-R699 VanDerWaalsContact OD1-CZ 3.23Å; D268-R699 IonicContact OD1-NH1 3.83Å; D268-R699 PolarHBondContact OD1-NH1 3.39Å; D268-R699 VanDerWaalsContact OD1-NH1 3.14Å; D268-R699 IonicContact OD1-NH2 3.69Å; D268-R699 PolarHBondContact OD1-NH2 3.1Å
269A90.6Very high92.1Very high11 Ų1119.9 Ų19.99%0.09112%0.119CC..Hα-helixtrans-62.9-26.1173.900000112.8L237 D238 V265L237-A269 HydrophobicContact CB-CB 4.35Å; D238-A269 HydrophobicContact CB-CB 4.42Å; V265-A269 WeakPolarHBondContact O-CB 2.78Å; V265-A269 PolarHBondContact O-N 2.69Å
270S90.4Very high92.1Very high1 Ų121.8 Ų21.81%0.00713%0.134CC..THydrogen-bonded Turntrans-99.41.8179-500000113.2C266 E267 D268 Y460C266-S270 PolarHBondContact O-N 3.31Å; C266-S270 PolarHBondContact O-OG 2.72Å; C266-S270 VanDerWaalsContact O-OG 3.04Å; E267-S270 CarbonylContact O-C 3.59Å; E267-S270 PolarHBondContact O-N 2.89Å; E267-S270 VanDerWaalsContact O-N 3.17Å; D268-S270 PolarHBondContact O-N 3.42Å; S270-Y460 WeakPolarHBondContact O-CE1 3.24Å
271S93.1Very high92.3Very high12 Ų1223.3 Ų23.38%0.08415%0.146CC..  trans-109.5154.9-176.6-63.30000111.8E267 D268 Y499 C501E267-S271 WeakPolarHBondContact O-CB 3.31Å; E267-S271 PolarHBondContact O-N 2.91Å; E267-S271 VanDerWaalsContact O-N 3.08Å; E267-S271 PolarHBondContact O-OG 3.04Å; D268-S271 PolarHBondContact O-N 3.32Å; S271-Y499 WeakPolarHBondContact CA-O 3.32Å; S271-C501 PolarHBondContact OG-N 3.32Å
272V92.9Very high92.4Very high10 Ų1021.8 Ų21.86%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-145.9150.8176.469.50000112.1F427 T430 Y499V272-F427 HydrophobicContact CB-CD2 4.44Å; V272-F427 HydrophobicContact CG1-CD2 3.61Å; V272-F427 HydrophobicContact CG1-CE2 4.05Å; V272-F427 HydrophobicContact CG1-CG 4.34Å; V272-F427 HydrophobicContact CG2-CB 4.21Å; V272-F427 HydrophobicContact CG2-CD2 4.1Å; V272-T430 HydrophobicContact CB-CG2 4.03Å; V272-T430 HydrophobicContact CG1-CG2 3.77Å; V272-Y499 PolarHBondContact N-O 3.33Å; V272-Y499 PolarHBondContact O-N 2.94Å
273T93.9Very high92.5Very high59 Ų5922.6 Ų22.636%0.36214%0.142SC..EExtended strand (participates in β ladder)trans-133.5133.9176.9-63.50000110.1I497 S498T273-I497 CarbonylContact C-O 3.53Å; T273-I497 VanDerWaalsContact CA-O 3.28Å; T273-I497 WeakPolarHBondContact CA-O 3.38Å; T273-S498 WeakPolarHBondContact CG2-OG 3.12Å; T273-S498 PolarHBondContact OG1-OG 3.16Å
274L93.8Very high92.3Very high4 Ų427.3 Ų27.32%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-118.8129.5173.2-178.165.8000109.3L278 E423 V424 F427 I497L274-L278 HydrophobicContact CD1-CB 4.27Å; L274-E423 HydrophobicContact CD1-CB 4.44Å; L274-V424 HydrophobicContact CD1-CG2 4.06Å; L274-F427 HydrophobicContact CB-CB 4.47Å; L274-F427 HydrophobicContact CB-CD2 3.63Å; L274-F427 HydrophobicContact CB-CE2 3.99Å; L274-F427 HydrophobicContact CB-CG 4.05Å; L274-F427 HydrophobicContact CD2-CD1 4.3Å; L274-F427 HydrophobicContact CD2-CG 4.27Å; L274-I497 PolarHBondContact N-O 2.8Å; L274-I497 PolarHBondContact O-N 2.89Å
275S93.5Very high92.1Very high14 Ų1424.3 Ų24.310%0.09815%0.15CC..EExtended strand (participates in β ladder)trans-104.1150.6175.7690000111.6A277 L278 L279 R495S275-A277 PolarHBondContact O-N 3.12Å; S275-L278 PolarHBondContact O-N 3.14Å; S275-L278 WeakPolarHBondContact OG-CG 3.41Å; S275-L278 PolarHBondContact OG-N 2.86Å; S275-L279 PolarHBondContact O-N 3.18Å; S275-R495 CarbonylContact C-O 3.52Å; S275-R495 WeakPolarHBondContact CA-O 3.46Å
276S91.9Very high92Very high25 Ų2522.9 Ų22.918%0.17514%0.141CC..Hα-helixtrans-55.4-37.6176.561.80000111.8L278 L279 A280 N494 R495S276-L278 VanDerWaalsContact C-N 3.3Å; S276-L278 PolarHBondContact O-N 3.18Å; S276-L279 PolarHBondContact O-N 3.28Å; S276-A280 VanDerWaalsContact O-CB 3.31Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.19Å; S276-N494 PolarHBondContact OG-OD1 2.88Å; S276-R495 PolarHBondContact N-O 3.18Å; S276-R495 PolarHBondContact OG-N 3.19Å
277A89.6Confident91.9Very high46 Ų4624.3 Ų24.338%0.3815%0.148SC..Hα-helixtrans-60.3-33.217400000114.6S275 S281 N494S275-A277 PolarHBondContact O-N 3.12Å; A277-S281 WeakPolarHBondContact O-CB 3.2Å; A277-S281 PolarHBondContact O-N 3.49Å; A277-S281 VanDerWaalsContact O-N 3.17Å; A277-N494 WeakPolarHBondContact CB-OD1 3.34Å; A277-N494 PolarHBondContact N-OD1 3.5Å
278L90.3Very high91.5Very high16 Ų1625.3 Ų25.38%0.08416%0.155CC..Hα-helixtrans-82.8-36.5179.4-72.5169.8000111L274 S275 S276 S281 A282 K419 G420 E423L274-L278 HydrophobicContact CD1-CB 4.27Å; S275-L278 PolarHBondContact O-N 3.14Å; S275-L278 WeakPolarHBondContact OG-CG 3.41Å; S275-L278 PolarHBondContact OG-N 2.86Å; S276-L278 VanDerWaalsContact C-N 3.3Å; S276-L278 PolarHBondContact O-N 3.18Å; L278-S281 WeakPolarHBondContact O-CB 3.35Å; L278-S281 PolarHBondContact O-N 3.23Å; L278-A282 PolarHBondContact O-N 3.45Å; L278-K419 HydrophobicContact CD2-CD 4.03Å; L278-K419 HydrophobicContact CD2-CG 4.1Å; L278-G420 WeakPolarHBondContact O-CA 3.2Å; L278-E423 HydrophobicContact CD1-CB 4.17Å; L278-E423 HydrophobicContact CD1-CG 3.87Å; L278-E423 HydrophobicContact CD2-CG 4.22Å
279L93.4Very high91.3Very high2 Ų222.1 Ų22.11%0.0114%0.138CC..Hα-helixtrans-62.7-49.2172.5-178.858.1000111.1S275 S276 S281 A282 I283 L355 L358 E359 I362 V424S275-L279 PolarHBondContact O-N 3.18Å; S276-L279 PolarHBondContact O-N 3.28Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 3.3Å; L279-A282 WeakPolarHBondContact O-CA 3.41Å; L279-A282 VanDerWaalsContact O-CB 3.27Å; L279-A282 WeakPolarHBondContact O-CB 3.23Å; L279-A282 PolarHBondContact O-N 2.9Å; L279-I283 HydrophobicContact CG-CD1 4.21Å; L279-I283 WeakPolarHBondContact O-CG1 3.48Å; L279-I283 PolarHBondContact O-N 3.46Å; L279-L355 HydrophobicContact CD1-CB 4.23Å; L279-L355 HydrophobicContact CD1-CD2 4.02Å; L279-L358 HydrophobicContact CD1-CD2 4.4Å; L279-L358 HydrophobicContact CD2-CD2 4.48Å; L279-L358 HydrophobicContact CD2-CG 4.26Å; L279-E359 HydrophobicContact CD2-CB 3.78Å; L279-E359 HydrophobicContact CD2-CG 4.36Å; L279-E359 HydrophobicContact CG-CB 4.35Å; L279-I362 HydrophobicContact CD2-CD1 3.79Å; L279-V424 HydrophobicContact CD1-CG2 4.12Å
280A92.4Very high91.1Very high39 Ų3921.7 Ų21.732%0.32213%0.134SC..Hα-helixtrans-57.8-41.5173.800000111.8S276 A282 I283 E284S276-A280 VanDerWaalsContact O-CB 3.31Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.19Å; A280-A282 VanDerWaalsContact C-N 3.27Å; A280-A282 PolarHBondContact O-N 2.91Å; A280-I283 PolarHBondContact O-N 2.95Å; A280-E284 WeakPolarHBondContact O-CB 3.26Å; A280-E284 PolarHBondContact O-N 3.14Å
281S89.8Confident90.9Very high41 Ų4123.8 Ų23.829%0.28714%0.144SC..Hα-helixtrans-63.8-30.3173.7-179.10000113A277 L278 L279 H285A277-S281 WeakPolarHBondContact O-CB 3.2Å; A277-S281 PolarHBondContact O-N 3.49Å; A277-S281 VanDerWaalsContact O-N 3.17Å; L278-S281 WeakPolarHBondContact O-CB 3.35Å; L278-S281 PolarHBondContact O-N 3.23Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 3.3Å; S281-H285 VanDerWaalsContact O-CB 3.24Å; S281-H285 WeakPolarHBondContact O-CB 3.46Å; S281-H285 PolarHBondContact O-N 3.45Å; S281-H285 VanDerWaalsContact O-N 3.15Å
282A91.5Very high90.5Very high0 Ų025 Ų250%015%0.15CC..Hα-helixtrans-72.3-45.9175.200000110.9L278 L279 A280 E284 H285 V286 L355 G420 L421 V424L278-A282 PolarHBondContact O-N 3.45Å; L279-A282 WeakPolarHBondContact O-CA 3.41Å; L279-A282 VanDerWaalsContact O-CB 3.27Å; L279-A282 WeakPolarHBondContact O-CB 3.23Å; L279-A282 PolarHBondContact O-N 2.9Å; A280-A282 VanDerWaalsContact C-N 3.27Å; A280-A282 PolarHBondContact O-N 2.91Å; A282-E284 PolarHBondContact O-N 2.83Å; A282-H285 PolarHBondContact O-N 2.81Å; A282-V286 WeakPolarHBondContact O-CG2 3.3Å; A282-V286 PolarHBondContact O-N 3.32Å; A282-L355 HydrophobicContact CB-CD1 4.22Å; A282-G420 VanDerWaalsContact CB-C 3.5Å; A282-L421 HydrophobicContact CB-CD1 4.3Å; A282-V424 HydrophobicContact CB-CG2 3.8Å
283I93.8Very high90Very high17 Ų1724.6 Ų24.69%0.08715%0.148CC..Hα-helixtrans-58.1-48.5177.5-65.6164.7000110.5L279 A280 H285 V286 K287 K352 L355 I356 E359L279-I283 HydrophobicContact CG-CD1 4.21Å; L279-I283 WeakPolarHBondContact O-CG1 3.48Å; L279-I283 PolarHBondContact O-N 3.46Å; A280-I283 PolarHBondContact O-N 2.95Å; I283-H285 VanDerWaalsContact C-N 3.34Å; I283-H285 PolarHBondContact O-N 3.24Å; I283-V286 PolarHBondContact O-N 3.49Å; I283-K287 PolarHBondContact O-N 2.96Å; I283-K352 HydrophobicContact CG2-CG 4.35Å; I283-L355 HydrophobicContact CD1-CB 4.25Å; I283-L355 HydrophobicContact CG1-CB 3.61Å; I283-L355 HydrophobicContact CG1-CD1 4.49Å; I283-I356 HydrophobicContact CD1-CG1 4.17Å; I283-I356 HydrophobicContact CG1-CG1 4.4Å; I283-I356 HydrophobicContact CG2-CD1 4.23Å; I283-I356 HydrophobicContact CG2-CG1 3.78Å; I283-E359 HydrophobicContact CD1-CB 4.05Å; I283-E359 WeakPolarHBondContact CD1-OE2 3.38Å
284E90.8Very high89.5Confident102 Ų10223.3 Ų23.348%0.47714%0.139SC..Hα-helixtrans-63.9-40.1178.2-174.961.4-167.600111.6A280 A282 K287 C288A280-E284 WeakPolarHBondContact O-CB 3.26Å; A280-E284 PolarHBondContact O-N 3.14Å; A282-E284 PolarHBondContact O-N 2.83Å; E284-K287 WeakPolarHBondContact O-CB 3.4Å; E284-K287 PolarHBondContact O-N 2.97Å; E284-C288 PolarHBondContact O-N 3.41Å; E284-C288 PolarHBondContact O-SG 2.96Å; E284-C288 VanDerWaalsContact O-SG 3.37Å
285H88.4Confident88.9Confident9 Ų927.1 Ų27.14%0.04216%0.159CC..Hα-helixtrans-63.4-44.6177.4179.1-134.4000111.8S281 A282 I283 K287 C288 V289 T407 I415S281-H285 VanDerWaalsContact O-CB 3.24Å; S281-H285 WeakPolarHBondContact O-CB 3.46Å; S281-H285 PolarHBondContact O-N 3.45Å; S281-H285 VanDerWaalsContact O-N 3.15Å; A282-H285 PolarHBondContact O-N 2.81Å; I283-H285 VanDerWaalsContact C-N 3.34Å; I283-H285 PolarHBondContact O-N 3.24Å; H285-K287 VanDerWaalsContact C-N 3.32Å; H285-K287 PolarHBondContact O-N 2.9Å; H285-C288 PolarHBondContact O-N 3.05Å; H285-V289 VanDerWaalsContact O-CG2 3.24Å; H285-V289 WeakPolarHBondContact O-CG2 3.19Å; H285-V289 PolarHBondContact O-N 3.26Å; H285-T407 WeakPolarHBondContact NE2-CG2 3.4Å; H285-T407 PolarHBondContact NE2-OG1 3.15Å; H285-T407 VanDerWaalsContact NE2-OG1 3.1Å; H285-I415 PolarHBondContact CD2-O 3.22Å; H285-I415 PolarHBondContact NE2-O 3.41Å
286V91.1Very high88.1Confident0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-61.8-41174.6179.40000110.7A282 I283 V289 C290 M348 L351 K352 L355 I403 L421A282-V286 WeakPolarHBondContact O-CG2 3.3Å; A282-V286 PolarHBondContact O-N 3.32Å; I283-V286 PolarHBondContact O-N 3.49Å; V286-V289 PolarHBondContact O-N 2.99Å; V286-C290 PolarHBondContact O-N 2.71Å; V286-C290 PolarHBondContact O-SG 3.42Å; V286-M348 HydrophobicContact CG1-CB 4.34Å; V286-M348 WeakPolarHBondContact CG1-O 3.47Å; V286-L351 HydrophobicContact CG2-CD2 4.19Å; V286-K352 HydrophobicContact CG1-CB 3.86Å; V286-L355 HydrophobicContact CG2-CD1 4.5Å; V286-I403 HydrophobicContact CG1-CD1 4.4Å; V286-I403 HydrophobicContact CG2-CD1 4.18Å; V286-L421 HydrophobicContact CG2-CD1 3.8Å
287K90.9Very high87.2Confident31 Ų3129.9 Ų29.914%0.13517%0.17CC..Hα-helixtrans-56.3-52174.3178.4179.4173.2164.80111.7I283 E284 H285 V289 C290 E291 K352 D907I283-K287 PolarHBondContact O-N 2.96Å; E284-K287 WeakPolarHBondContact O-CB 3.4Å; E284-K287 PolarHBondContact O-N 2.97Å; H285-K287 VanDerWaalsContact C-N 3.32Å; H285-K287 PolarHBondContact O-N 2.9Å; K287-V289 VanDerWaalsContact C-N 3.33Å; K287-V289 PolarHBondContact O-N 3.22Å; K287-C290 WeakPolarHBondContact O-CB 3.4Å; K287-C290 PolarHBondContact O-N 2.96Å; K287-E291 WeakPolarHBondContact CE-OE1 3.3Å; K287-E291 WeakPolarHBondContact O-CG 3.5Å; K287-E291 PolarHBondContact O-N 3Å; K287-K352 HydrophobicContact CB-CD 4.39Å; K287-D907 IonicContact NZ-OD1 3.92Å; K287-D907 PolarHBondContact NZ-OD1 3.44Å; K287-D907 IonicContact NZ-OD2 3.23Å; K287-D907 PolarHBondContact NZ-OD2 3.48Å
288C87.8Confident86.6Confident25 Ų2531.1 Ų31.117%0.16917%0.167CC..Hα-helixtrans-62.6-37.4-179.4-66.20000112.9E284 H285 E291 V292E284-C288 PolarHBondContact O-N 3.41Å; E284-C288 PolarHBondContact O-SG 2.96Å; E284-C288 VanDerWaalsContact O-SG 3.37Å; H285-C288 PolarHBondContact O-N 3.05Å; C288-E291 PolarHBondContact O-N 3.24Å; C288-V292 WeakPolarHBondContact O-CG2 3.35Å; C288-V292 PolarHBondContact O-N 3.5Å
289V86.7Confident85.6Confident0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-64.4-46.4176.1175.40000110.1H285 V286 K287 E291 V292 V293 L343 M348 I403 F406 I415H285-V289 VanDerWaalsContact O-CG2 3.24Å; H285-V289 WeakPolarHBondContact O-CG2 3.19Å; H285-V289 PolarHBondContact O-N 3.26Å; V286-V289 PolarHBondContact O-N 2.99Å; K287-V289 VanDerWaalsContact C-N 3.33Å; K287-V289 PolarHBondContact O-N 3.22Å; V289-E291 VanDerWaalsContact C-N 3.32Å; V289-E291 PolarHBondContact O-N 2.87Å; V289-V292 PolarHBondContact O-N 2.92Å; V289-V293 HydrophobicContact CG1-CG2 4.4Å; V289-V293 WeakPolarHBondContact O-CG2 3.31Å; V289-V293 PolarHBondContact O-N 3.36Å; V289-L343 HydrophobicContact CG1-CD1 4.19Å; V289-M348 HydrophobicContact CG1-SD 3.7Å; V289-I403 HydrophobicContact CB-CG2 4.41Å; V289-I403 HydrophobicContact CG1-CG1 4.47Å; V289-I403 HydrophobicContact CG1-CG2 4.24Å; V289-I403 HydrophobicContact CG2-CG2 3.77Å; V289-F406 HydrophobicContact CG1-CD1 3.85Å; V289-F406 HydrophobicContact CG1-CE1 4.01Å; V289-I415 HydrophobicContact CB-CG2 4.44Å; V289-I415 HydrophobicContact CG2-CG2 3.33Å
290C87Confident84.3Confident2 Ų238.9 Ų38.91%0.01420%0.203CC..Hα-helixtrans-57.1-44.2176.6-72.60000112.2V286 K287 V292 V293 L294 M348 F906V286-C290 PolarHBondContact O-N 2.71Å; V286-C290 PolarHBondContact O-SG 3.42Å; K287-C290 WeakPolarHBondContact O-CB 3.4Å; K287-C290 PolarHBondContact O-N 2.96Å; C290-V292 PolarHBondContact O-N 3.08Å; C290-V293 PolarHBondContact O-N 3.39Å; C290-L294 PolarHBondContact O-N 2.87Å; C290-M348 WeakPolarHBondContact SG-CB 3.29Å; C290-F906 HydrophobicContact CB-CD2 4.41Å; C290-F906 HydrophobicContact CB-CE1 4.15Å; C290-F906 HydrophobicContact CB-CE2 3.7Å; C290-F906 HydrophobicContact CB-CZ 3.53Å; C290-F906 VanDerWaalsContact O-CE2 3.3Å; C290-F906 WeakPolarHBondContact O-CE2 3.5Å
291E86Confident82.9Confident45 Ų4542.8 Ų42.821%0.2122%0.215CC..Hα-helixtrans-57-47.5177.1-74.6172.7173.900111.7K287 C288 V289 V293 L294 D295 S904 F906K287-E291 WeakPolarHBondContact CE-OE1 3.3Å; K287-E291 WeakPolarHBondContact O-CG 3.5Å; K287-E291 PolarHBondContact O-N 3Å; C288-E291 PolarHBondContact O-N 3.24Å; V289-E291 VanDerWaalsContact C-N 3.32Å; V289-E291 PolarHBondContact O-N 2.87Å; E291-V293 PolarHBondContact O-N 3.31Å; E291-L294 PolarHBondContact O-N 3.47Å; E291-D295 PolarHBondContact O-N 3.5Å; E291-S904 WeakPolarHBondContact OE1-CB 3.47Å; E291-S904 PolarHBondContact OE1-OG 3.36Å; E291-F906 HydrophobicContact CG-CD2 3.76Å; E291-F906 HydrophobicContact CG-CE2 4.28Å
292V84.3Confident81.6Confident37 Ų3747.3 Ų47.322%0.22423%0.231CC..Hα-helixtrans-67.9-37.9-179.3171.60000112.5C288 V289 C290 H296 F406 I415C288-V292 WeakPolarHBondContact O-CG2 3.35Å; C288-V292 PolarHBondContact O-N 3.5Å; V289-V292 PolarHBondContact O-N 2.92Å; C290-V292 PolarHBondContact O-N 3.08Å; V292-H296 PolarHBondContact O-N 2.9Å; V292-H296 VanDerWaalsContact O-N 3.11Å; V292-F406 HydrophobicContact CG1-CZ 4.05Å; V292-I415 HydrophobicContact CB-CD1 3.79Å; V292-I415 HydrophobicContact CG1-CD1 3.92Å; V292-I415 HydrophobicContact CG2-CD1 3.48Å; V292-I415 VanDerWaalsContact CG2-CD1 3.48Å; V292-I415 HydrophobicContact CG2-CG1 4.24Å
293V83Confident80.1Confident2 Ų251.9 Ų51.91%0.01226%0.255CS..Hα-helixtrans-65.8-40.9175175.60000110.8V289 C290 E291 H296 T297 I340 L343 I345 M348 F406V289-V293 HydrophobicContact CG1-CG2 4.4Å; V289-V293 WeakPolarHBondContact O-CG2 3.31Å; V289-V293 PolarHBondContact O-N 3.36Å; C290-V293 PolarHBondContact O-N 3.39Å; E291-V293 PolarHBondContact O-N 3.31Å; V293-H296 PolarHBondContact O-N 3.2Å; V293-T297 WeakPolarHBondContact O-CG2 3.49Å; V293-T297 PolarHBondContact O-N 2.92Å; V293-T297 PolarHBondContact O-OG1 3.17Å; V293-I340 HydrophobicContact CG1-CG2 4.29Å; V293-L343 HydrophobicContact CG2-CB 4.43Å; V293-L343 HydrophobicContact CG2-CD1 3.66Å; V293-I345 HydrophobicContact CB-CG1 4.49Å; V293-I345 HydrophobicContact CG1-CD1 3.92Å; V293-I345 HydrophobicContact CG1-CG1 3.62Å; V293-M348 HydrophobicContact CB-CE 4.18Å; V293-M348 HydrophobicContact CG1-CE 4.28Å; V293-M348 HydrophobicContact CG2-CE 4.02Å; V293-F406 HydrophobicContact CG2-CE1 4.41Å
294L82.9Confident78.3Confident33 Ų3357.9 Ų57.917%0.17328%0.282CS..Hα-helixtrans-63.8-45.7175.7-82-164.7000112.9C290 E291 H296 T297 K298 I345 I905 F906C290-L294 PolarHBondContact O-N 2.87Å; E291-L294 PolarHBondContact O-N 3.47Å; L294-H296 VanDerWaalsContact C-N 3.26Å; L294-H296 PolarHBondContact O-N 2.97Å; L294-T297 WeakPolarHBondContact CA-OG1 3.4Å; L294-T297 PolarHBondContact O-N 3.39Å; L294-T297 PolarHBondContact O-OG1 3.17Å; L294-K298 WeakPolarHBondContact O-CG 3.46Å; L294-K298 PolarHBondContact O-N 2.86Å; L294-I345 HydrophobicContact CD2-CD1 3.74Å; L294-I905 HydrophobicContact CD1-CG2 3.51Å; L294-F906 HydrophobicContact CB-CE2 4.01Å; L294-F906 HydrophobicContact CB-CZ 4.41Å; L294-F906 HydrophobicContact CD1-CD2 3.76Å; L294-F906 HydrophobicContact CD1-CE1 3.88Å; L294-F906 HydrophobicContact CD1-CE2 3Å; L294-F906 HydrophobicContact CD1-CG 4.47Å; L294-F906 HydrophobicContact CD1-CZ 3.09Å; L294-F906 HydrophobicContact CD2-CZ 4.23Å; L294-F906 HydrophobicContact CG-CD2 4.49Å; L294-F906 HydrophobicContact CG-CE1 4.41Å; L294-F906 HydrophobicContact CG-CE2 3.36Å; L294-F906 HydrophobicContact CG-CZ 3.32Å
295D81.7Confident76.6Confident83 Ų8359 Ų5944%0.44429%0.291SS..Hα-helixtrans-60.7-40.5-179.7-70-16.8000110.3E291 T297 K298 E299E291-D295 PolarHBondContact O-N 3.5Å; D295-T297 PolarHBondContact O-N 3.38Å; D295-K298 PolarHBondContact O-N 3.34Å; D295-E299 WeakPolarHBondContact O-CG 3.43Å; D295-E299 PolarHBondContact O-N 2.94Å
296H76.5Confident74.9Confident56 Ų5662.2 Ų62.226%0.25932%0.315SS..Hα-helixtrans-66.5-38.2175.8-149.661.3000113.3V292 V293 L294 K298 E299 Q300 I340V292-H296 PolarHBondContact O-N 2.9Å; V292-H296 VanDerWaalsContact O-N 3.11Å; V293-H296 PolarHBondContact O-N 3.2Å; L294-H296 VanDerWaalsContact C-N 3.26Å; L294-H296 PolarHBondContact O-N 2.97Å; H296-K298 VanDerWaalsContact C-N 3.33Å; H296-K298 PolarHBondContact O-N 3.04Å; H296-E299 IonicContact ND1-OE2 3.22Å; H296-E299 PolarHBondContact O-N 3.24Å; H296-Q300 WeakPolarHBondContact O-CG 3.37Å; H296-Q300 PolarHBondContact O-N 2.84Å; H296-Q300 VanDerWaalsContact O-N 3.1Å; H296-I340 HydrophobicContact CB-CD1 4.24Å; H296-I340 WeakPolarHBondContact CD2-CD1 3.14Å
297T74Confident73Confident41 Ų4167.9 Ų67.925%0.25235%0.345SS..Hα-helixtrans-67.1-32.3175.455.10000113V293 L294 D295 Q301 I345V293-T297 WeakPolarHBondContact O-CG2 3.49Å; V293-T297 PolarHBondContact O-N 2.92Å; V293-T297 PolarHBondContact O-OG1 3.17Å; L294-T297 WeakPolarHBondContact CA-OG1 3.4Å; L294-T297 PolarHBondContact O-N 3.39Å; L294-T297 PolarHBondContact O-OG1 3.17Å; D295-T297 PolarHBondContact O-N 3.38Å; T297-Q301 WeakPolarHBondContact O-CG 3.24Å; T297-Q301 PolarHBondContact O-N 2.85Å; T297-I345 HydrophobicContact CG2-CD1 4.42Å
298K75.6Confident71Confident72 Ų7270.6 Ų70.631%0.31337%0.368SS..Hα-helixtrans-71-44.5174.7-70.8173.8-175.4168.20111.5L294 D295 H296 Q300 Q301 E302L294-K298 WeakPolarHBondContact O-CG 3.46Å; L294-K298 PolarHBondContact O-N 2.86Å; D295-K298 PolarHBondContact O-N 3.34Å; H296-K298 VanDerWaalsContact C-N 3.33Å; H296-K298 PolarHBondContact O-N 3.04Å; K298-Q300 VanDerWaalsContact C-N 3.29Å; K298-Q300 PolarHBondContact O-N 3.36Å; K298-Q301 PolarHBondContact O-N 2.96Å; K298-Q301 VanDerWaalsContact O-N 3.15Å; K298-E302 WeakPolarHBondContact O-CG 3.43Å; K298-E302 PolarHBondContact O-N 3.4Å
299E70.3Confident68.9Low105 Ų10576.9 Ų76.949%0.49140%0.4SS..Hα-helixtrans-58-41.9176.5-73.7173.8174.100111.5D295 H296 E302 I303D295-E299 WeakPolarHBondContact O-CG 3.43Å; D295-E299 PolarHBondContact O-N 2.94Å; H296-E299 IonicContact ND1-OE2 3.22Å; H296-E299 PolarHBondContact O-N 3.24Å; E299-E302 PolarHBondContact O-N 3.5Å; E299-I303 WeakPolarHBondContact O-CD1 3.31Å; E299-I303 VanDerWaalsContact O-CG1 3.25Å; E299-I303 WeakPolarHBondContact O-CG1 3.49Å; E299-I303 PolarHBondContact O-N 3.3Å
300Q65.9Low66.6Low76 Ų7681 Ų8136%0.35543%0.428SS..Hα-helixtrans-63.4-41.8175.5-73.1179.8-7.300112.5H296 K298 I303 E304H296-Q300 WeakPolarHBondContact O-CG 3.37Å; H296-Q300 PolarHBondContact O-N 2.84Å; H296-Q300 VanDerWaalsContact O-N 3.1Å; K298-Q300 VanDerWaalsContact C-N 3.29Å; K298-Q300 PolarHBondContact O-N 3.36Å; Q300-I303 PolarHBondContact O-N 2.93Å; Q300-E304 WeakPolarHBondContact O-CG 3.32Å; Q300-E304 PolarHBondContact O-N 3.17Å
301Q62.1Low64.3Low122 Ų12288.2 Ų88.257%0.5747%0.466SS*.Hα-helixtrans-65.8-36.7176.6-73.1175.83.900112.4T297 K298 L305T297-Q301 WeakPolarHBondContact O-CG 3.24Å; T297-Q301 PolarHBondContact O-N 2.85Å; K298-Q301 PolarHBondContact O-N 2.96Å; K298-Q301 VanDerWaalsContact O-N 3.15Å; Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.43Å; Q301-L305 VanDerWaalsContact O-CG 3.29Å; Q301-L305 WeakPolarHBondContact O-CG 3.38Å; Q301-L305 PolarHBondContact O-N 3.48Å
302E62.9Low61.8Low135 Ų13592.4 Ų92.463%0.63149%0.494SS*.Hα-helixtrans-69.8-35.9176.2-72179.6-176.400112.6K298 E299 S306K298-E302 WeakPolarHBondContact O-CG 3.43Å; K298-E302 PolarHBondContact O-N 3.4Å; E299-E302 PolarHBondContact O-N 3.5Å; E302-S306 WeakPolarHBondContact O-CB 3.47Å; E302-S306 PolarHBondContact O-N 2.95Å; E302-S306 VanDerWaalsContact O-N 3.07Å; E302-S306 PolarHBondContact O-OG 3.23Å
303I60.5Low59.6Low97 Ų9797 Ų9750%0.49752%0.518SS..Hα-helixtrans-67.6-44.6174.1-66.7164.5000110.4E299 Q300 L305 S306 D307E299-I303 WeakPolarHBondContact O-CD1 3.31Å; E299-I303 VanDerWaalsContact O-CG1 3.25Å; E299-I303 WeakPolarHBondContact O-CG1 3.49Å; E299-I303 PolarHBondContact O-N 3.3Å; Q300-I303 PolarHBondContact O-N 2.93Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 2.94Å; I303-S306 WeakPolarHBondContact CA-OG 3.47Å; I303-S306 PolarHBondContact O-N 3.27Å; I303-S306 PolarHBondContact O-OG 3.07Å; I303-S306 VanDerWaalsContact O-OG 3.04Å; I303-D307 PolarHBondContact O-N 3.38Å
304E55.3Low57.4Low142 Ų142105.1 Ų105.166%0.66456%0.555SS**Hα-helixtrans-63.4-34.7177.1-74-176.9172.400112.8Q300 S308Q300-E304 WeakPolarHBondContact O-CG 3.32Å; Q300-E304 PolarHBondContact O-N 3.17Å; E304-S308 WeakPolarHBondContact O-CB 3.44Å; E304-S308 PolarHBondContact O-N 3.4Å; E304-S308 PolarHBondContact O-OG 3.4Å
305L55.3Low55.1Low127 Ų127110 Ų11067%0.66558%0.582SS**Hα-helixtrans-74.9-25.3175.9-77.4166.6000113.8Q301 I303 S308Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.43Å; Q301-L305 VanDerWaalsContact O-CG 3.29Å; Q301-L305 WeakPolarHBondContact O-CG 3.38Å; Q301-L305 PolarHBondContact O-N 3.48Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 2.94Å; L305-S308 WeakPolarHBondContact CA-OG 3.44Å; L305-S308 PolarHBondContact O-OG 2.98Å
306S52.5Low52.9Low76 Ų76111.5 Ų111.553%0.53160%0.599SS.*Hα-helixtrans-86.9-33177.949.30000112.9E302 I303E302-S306 WeakPolarHBondContact O-CB 3.47Å; E302-S306 PolarHBondContact O-N 2.95Å; E302-S306 VanDerWaalsContact O-N 3.07Å; E302-S306 PolarHBondContact O-OG 3.23Å; I303-S306 WeakPolarHBondContact CA-OG 3.47Å; I303-S306 PolarHBondContact O-N 3.27Å; I303-S306 PolarHBondContact O-OG 3.07Å; I303-S306 VanDerWaalsContact O-OG 3.04Å
307D51.8Low51.2Low118 Ų118117.4 Ų117.463%0.63163%0.626SS**Hα-helixtrans-77.1-20.3176.1-82.9-19.1000113.7I303 N309 C310I303-D307 PolarHBondContact O-N 3.38Å; D307-N309 VanDerWaalsContact C-N 3.25Å; D307-N309 PolarHBondContact O-N 2.89Å; D307-C310 PolarHBondContact O-N 3.13Å
308S48.5Very low49.6Very low88 Ų88122.9 Ų122.962%0.61565%0.649SS**THydrogen-bonded Turntrans-78.5-2.3178.338.70000114.5E304 L305E304-S308 WeakPolarHBondContact O-CB 3.44Å; E304-S308 PolarHBondContact O-N 3.4Å; E304-S308 PolarHBondContact O-OG 3.4Å; L305-S308 WeakPolarHBondContact CA-OG 3.44Å; L305-S308 PolarHBondContact O-OG 2.98Å
309N44.3Very low47.8Very low158 Ų158127.4 Ų127.485%0.84567%0.669SS**THydrogen-bonded Turntrans-95.19.6172.3-98.5-22.2000114.5D307D307-N309 VanDerWaalsContact C-N 3.25Å; D307-N309 PolarHBondContact O-N 2.89Å
310C37.9Very low46.1Very low87 Ų87128.3 Ų128.359%0.58868%0.676SS**SBendtrans-125.1111.3177.9162.60000111.5D307D307-C310 PolarHBondContact O-N 3.13Å
311N38Very low44.6Very low152 Ų152128.2 Ų128.281%0.81368%0.684SS**  trans7286.7165.7-66.6-26.9000118.9N313N311-N313 PolarHBondContact O-N 3.08Å
312V33.7Very low43.4Very low133 Ų133126.5 Ų126.581%0.80668%0.682SS**  trans-56.1110.5147.6179.10000109
313N38Very low42.2Very low134 Ų134126.2 Ų126.272%0.71768%0.683SS**  trans176.4119.1139.5-86.2-28.7000111.5N311N311-N313 PolarHBondContact O-N 3.08Å
314Q37Very low41Very low172 Ų172128.4 Ų128.480%0.80469%0.693SS**SBendtrans61.2107.2148.1-59.8179.1-1.500118.1
315N35.7Very low40Very low137 Ų137128.7 Ų128.773%0.73370%0.699SS**  trans135.165.7152.2-67.7-17.9000112
316S35.5Very low39.2Very low113 Ų113132 Ų13279%0.7970%0.702SS**  trans-89.7-3.5-175.341.30000115.5
317E40.6Very low38.4Very low181 Ų181138.6 Ų138.685%0.84672%0.722SS**SBendtrans-102.3-9.4-175.3-72.4-176.5158.900115.2
318Q39.6Very low37.6Very low156 Ų156136.4 Ų136.473%0.72973%0.727SS**SBendtrans-104-8179.9-78.4179.7-1600115.1
319K38.8Very low36.7Very low166 Ų166139.3 Ų139.372%0.72274%0.735SS**SBendtrans-84.6-20.9177.1-83.6-177174.6-179.10113.9
320L34Very low36.3Very low125 Ų125140 Ų14065%0.65473%0.731SS**Hα-helixtrans-82.1-19.9-175.2-137.474.5000114
321S34.5Very low36.1Very low73 Ų73139.5 Ų139.551%0.5172%0.722SS.*Hα-helixtrans-87.4-13.7177.156.70000113.9
322V37.7Very low36.2Very low86 Ų86139.7 Ų139.752%0.52172%0.72SS.*Hα-helixtrans-86.4-23.3178.1-178.50000111.9
323I37.8Very low36.5Very low129 Ų129138.1 Ų138.166%0.66271%0.711SS**Hα-helixtrans-83.4-27.3-178-62.2171.1000111.8
324M34Very low36.7Very low143 Ų143138.2 Ų138.270%0.70471%0.707SS**THydrogen-bonded Turntrans-85-9.4-179.5-67.4-164.1-175.800115
325N35.7Very low36.9Very low148 Ų148133 Ų13379%0.79169%0.688SS**THydrogen-bonded Turntrans-107.710.4-176.3-85.8-18.9000115.2
326R37Very low37.5Very low196 Ų196129.9 Ų129.974%0.7467%0.669SS**  trans-90.1-4.1-179-86.2-176167.6173.8-4.5116.2G328R326-G328 PolarHBondContact O-N 3.01Å
327K36.4Very low38.1Very low215 Ų215125.6 Ų125.694%0.93564%0.643SS**THydrogen-bonded Turntrans-69.825.2-177.2-78.7-170.8172.7-176.70116.3
328G34.2Very low38.5Very low72 Ų72119.7 Ų119.774%0.74262%0.617SS**THydrogen-bonded Turntrans-1507.4-172.400000117.5R326R326-G328 PolarHBondContact O-N 3.01Å
329L31.2Very low39.4Very low150 Ų150113.2 Ų113.279%0.78559%0.59SS**  trans-133.9111.3-179.2-160.770.3000110.5D331L329-D331 PolarHBondContact O-N 3.31Å
330F35Very low40.6Very low173 Ų173106.1 Ų106.176%0.75956%0.56SS**  trans-59.8102.5170-103.4-91.4000108.8M332F330-M332 PolarHBondContact O-N 2.89Å; F330-M332 VanDerWaalsContact O-N 3.16Å
331D33.7Very low41.9Very low76 Ų76106.9 Ų106.941%0.40656%0.56SS.*  trans-70.1108.1166.4-170.7-15.3000108.5L329 T333 N338L329-D331 PolarHBondContact O-N 3.31Å; D331-T333 PolarHBondContact O-N 3.28Å; D331-T333 WeakPolarHBondContact OD1-CB 3.44Å; D331-T333 PolarHBondContact OD1-N 3.44Å; D331-T333 PolarHBondContact OD1-OG1 3.34Å; D331-T333 PolarHBondContact OD2-OG1 3.29Å; D331-N338 PolarHBondContact N-ND2 3.35Å
332M39.4Very low43.2Very low156 Ų156106.3 Ų106.377%0.76856%0.56SS**THydrogen-bonded Turntrans-70.5-9-177.5-69.5-71.4-68.100113.2F330F330-M332 PolarHBondContact O-N 2.89Å; F330-M332 VanDerWaalsContact O-N 3.16Å
333T40.2Very low45Very low100 Ų100102.9 Ų102.961%0.61354%0.539SS*.THydrogen-bonded Turntrans-91.5-25.5-178.463.60000113.1D331D331-T333 PolarHBondContact O-N 3.28Å; D331-T333 WeakPolarHBondContact OD1-CB 3.44Å; D331-T333 PolarHBondContact OD1-N 3.44Å; D331-T333 PolarHBondContact OD1-OG1 3.34Å; D331-T333 PolarHBondContact OD2-OG1 3.29Å
334H41.6Very low47.2Very low135 Ų13598.5 Ų98.563%0.62552%0.519SS*.  trans-137.974.7179-67.4-73.5000111.6E336 G337H334-E336 PolarHBondContact O-N 3.44Å; H334-G337 PolarHBondContact O-N 2.92Å
335P43Very low49.6Very low64 Ų6493.8 Ų93.842%0.41650%0.496SS..Hα-helixtrans-65.7-21.8-177.625.3-33.3000113.8A339P335-A339 WeakPolarHBondContact O-CB 3.34Å
336E47.9Very low52Low71 Ų7194 Ų9433%0.33249%0.493SS..Hα-helixtrans-71-41.1-178.9-62.7-171.8150.400112.1H334 A339 I340 H411H334-E336 PolarHBondContact O-N 3.44Å; E336-A339 PolarHBondContact O-N 3.38Å; E336-I340 VanDerWaalsContact O-CG1 3.29Å; E336-I340 WeakPolarHBondContact O-CG1 3.24Å; E336-I340 PolarHBondContact O-N 2.81Å; E336-H411 IonicContact OE1-CD2 3.57Å; E336-H411 PolarHBondContact OE1-CD2 3.1Å; E336-H411 IonicContact OE1-CG 3.61Å; E336-H411 PolarHBondContact OE1-N 3.07Å
337G47.2Very low54.5Low23 Ų2388.8 Ų88.824%0.23748%0.476CS..Hα-helixtrans-64.6-48.9-177.600000113.4H334 A339 I340 E341H334-G337 PolarHBondContact O-N 2.92Å; G337-A339 VanDerWaalsContact C-N 3.29Å; G337-A339 PolarHBondContact O-N 3.02Å; G337-I340 PolarHBondContact O-N 3.33Å; G337-E341 PolarHBondContact O-N 3.18Å
338N49.7Very low57.1Low56 Ų5678.6 Ų78.630%0.29943%0.431SS..Hα-helixtrans-67.1-28.5-179.8-70.9-31.3000113.3D331D331-N338 PolarHBondContact N-ND2 3.35Å
339A58.3Low59.7Low21 Ų2177.3 Ų77.317%0.17441%0.407CS..Hα-helixtrans-77.5-33.4179.600000112.3P335 E336 G337 A342 F406P335-A339 WeakPolarHBondContact O-CB 3.34Å; E336-A339 PolarHBondContact O-N 3.38Å; G337-A339 VanDerWaalsContact C-N 3.29Å; G337-A339 PolarHBondContact O-N 3.02Å; A339-A342 PolarHBondContact O-N 3.43Å; A339-F406 HydrophobicContact CB-CD2 4.12Å
340I63.1Low62.7Low16 Ų1673.9 Ų73.98%0.08239%0.392CS..Hα-helixtrans-70.3-41.9176.9-66.9168000110.5V293 H296 E336 G337 A342 L343 F406V293-I340 HydrophobicContact CG1-CG2 4.29Å; H296-I340 HydrophobicContact CB-CD1 4.24Å; H296-I340 WeakPolarHBondContact CD2-CD1 3.14Å; E336-I340 VanDerWaalsContact O-CG1 3.29Å; E336-I340 WeakPolarHBondContact O-CG1 3.24Å; E336-I340 PolarHBondContact O-N 2.81Å; G337-I340 PolarHBondContact O-N 3.33Å; I340-A342 PolarHBondContact O-N 3.16Å; I340-A342 VanDerWaalsContact O-N 3.16Å; I340-L343 PolarHBondContact O-N 3.26Å; I340-F406 HydrophobicContact CD1-CE2 3.88Å; I340-F406 HydrophobicContact CD1-CZ 4.42Å; I340-F406 HydrophobicContact CG1-CD2 3.84Å; I340-F406 HydrophobicContact CG1-CE2 3.23Å; I340-F406 HydrophobicContact CG1-CZ 3.98Å
341E61.3Low65.5Low142 Ų14265.8 Ų65.866%0.66436%0.357SS*.Hα-helixtrans-62-22177.3-71.2-179.7-167.300113.6G337G337-E341 PolarHBondContact O-N 3.18Å
342A63.7Low68.4Low61 Ų6163 Ų6350%0.50434%0.341SS..THydrogen-bonded Turntrans-79.4-19.517600000113.3A339 I340A339-A342 PolarHBondContact O-N 3.43Å; I340-A342 PolarHBondContact O-N 3.16Å; I340-A342 VanDerWaalsContact O-N 3.16Å
343L75.5Confident71Confident14 Ų1456.4 Ų56.47%0.07331%0.314CS..  trans-85.8118.4-177.2-73174.7000111.9V289 V293 I340 I345 M348 E402 I403 F406V289-L343 HydrophobicContact CG1-CD1 4.19Å; V293-L343 HydrophobicContact CG2-CB 4.43Å; V293-L343 HydrophobicContact CG2-CD1 3.66Å; I340-L343 PolarHBondContact O-N 3.26Å; L343-I345 PolarHBondContact O-N 2.85Å; L343-M348 HydrophobicContact CB-CE 4.21Å; L343-M348 HydrophobicContact CB-SD 4.43Å; L343-M348 HydrophobicContact CD1-SD 4.4Å; L343-M348 HydrophobicContact CD2-SD 4.13Å; L343-E402 HydrophobicContact CD2-CB 3.85Å; L343-I403 HydrophobicContact CD2-CG1 4.13Å; L343-F406 HydrophobicContact CD1-CB 3.52Å; L343-F406 HydrophobicContact CD1-CD1 3.44Å; L343-F406 VanDerWaalsContact CD1-CD1 3.44Å; L343-F406 HydrophobicContact CD1-CD2 3.98Å; L343-F406 HydrophobicContact CD1-CE1 4.14Å; L343-F406 HydrophobicContact CD1-CG 3.33Å; L343-F406 HydrophobicContact CD2-CB 4.41Å; L343-F406 HydrophobicContact CG-CB 4.16Å; L343-F406 HydrophobicContact CG-CG 4.41Å
344S83.2Confident73.6Confident36 Ų3653 Ų5325%0.25229%0.29SS..  trans-85.8112.7171.5173.70000111E346 K347 M348S344-E346 VanDerWaalsContact C-N 3.27Å; S344-E346 PolarHBondContact O-N 3.25Å; S344-K347 PolarHBondContact O-N 3.46Å; S344-K347 VanDerWaalsContact O-N 3.16Å; S344-K347 PolarHBondContact OG-N 2.94Å; S344-M348 WeakPolarHBondContact O-CG 3.48Å; S344-M348 PolarHBondContact O-N 3.41Å; S344-M348 VanDerWaalsContact O-N 3.1Å
345I85.1Confident76.2Confident44 Ų4446.5 Ų46.523%0.22626%0.261CS..Hα-helixtrans-55.3-42.8176-65.1158000111.3V293 L294 T297 L343 K347 M348 I349V293-I345 HydrophobicContact CB-CG1 4.49Å; V293-I345 HydrophobicContact CG1-CD1 3.92Å; V293-I345 HydrophobicContact CG1-CG1 3.62Å; L294-I345 HydrophobicContact CD2-CD1 3.74Å; T297-I345 HydrophobicContact CG2-CD1 4.42Å; L343-I345 PolarHBondContact O-N 2.85Å; I345-K347 VanDerWaalsContact C-N 3.33Å; I345-K347 PolarHBondContact O-N 3.36Å; I345-M348 HydrophobicContact CB-CE 4.48Å; I345-M348 HydrophobicContact CG1-CE 4.14Å; I345-M348 PolarHBondContact O-N 3.32Å; I345-I349 HydrophobicContact CG2-CD1 3.66Å; I345-I349 HydrophobicContact CG2-CG1 4.18Å; I345-I349 WeakPolarHBondContact O-CG1 3.38Å; I345-I349 PolarHBondContact O-N 2.9Å
346E85.7Confident78.7Confident154 Ų15446.3 Ų46.372%0.7226%0.255SS*.Hα-helixtrans-58.3-43.6178.6-63.7-179.217200112.2S344 T350S344-E346 VanDerWaalsContact C-N 3.27Å; S344-E346 PolarHBondContact O-N 3.25Å; E346-T350 WeakPolarHBondContact O-CB 3.49Å; E346-T350 PolarHBondContact O-N 2.93Å; E346-T350 PolarHBondContact O-OG1 3.2Å
347K89.8Confident81Confident86 Ų8645.7 Ų45.737%0.37425%0.253SS..Hα-helixtrans-66.6-39.5177.1-67.3-175.1-168173.20112S344 I345 T350 L351 V399S344-K347 PolarHBondContact O-N 3.46Å; S344-K347 VanDerWaalsContact O-N 3.16Å; S344-K347 PolarHBondContact OG-N 2.94Å; I345-K347 VanDerWaalsContact C-N 3.33Å; I345-K347 PolarHBondContact O-N 3.36Å; K347-T350 WeakPolarHBondContact O-CB 3.47Å; K347-T350 PolarHBondContact O-N 2.92Å; K347-L351 WeakPolarHBondContact O-CB 3.27Å; K347-L351 PolarHBondContact O-N 2.79Å; K347-V399 HydrophobicContact CB-CG1 4.37Å; K347-V399 HydrophobicContact CB-CG2 3.67Å; K347-V399 HydrophobicContact CD-CG2 3.67Å; K347-V399 HydrophobicContact CG-CG2 4.22Å
348M89.9Confident83.2Confident1 Ų144.9 Ų44.91%0.00524%0.243CC..Hα-helixtrans-68.9-39.6178.7-62.9-170-70.400112.3V286 V289 C290 V293 L343 S344 I345 T350 L351 K352 V399 I403V286-M348 HydrophobicContact CG1-CB 4.34Å; V286-M348 WeakPolarHBondContact CG1-O 3.47Å; V289-M348 HydrophobicContact CG1-SD 3.7Å; C290-M348 WeakPolarHBondContact SG-CB 3.29Å; V293-M348 HydrophobicContact CB-CE 4.18Å; V293-M348 HydrophobicContact CG1-CE 4.28Å; V293-M348 HydrophobicContact CG2-CE 4.02Å; L343-M348 HydrophobicContact CB-CE 4.21Å; L343-M348 HydrophobicContact CB-SD 4.43Å; L343-M348 HydrophobicContact CD1-SD 4.4Å; L343-M348 HydrophobicContact CD2-SD 4.13Å; S344-M348 WeakPolarHBondContact O-CG 3.48Å; S344-M348 PolarHBondContact O-N 3.41Å; S344-M348 VanDerWaalsContact O-N 3.1Å; I345-M348 HydrophobicContact CB-CE 4.48Å; I345-M348 HydrophobicContact CG1-CE 4.14Å; I345-M348 PolarHBondContact O-N 3.32Å; M348-T350 VanDerWaalsContact C-N 3.35Å; M348-L351 PolarHBondContact O-N 3.15Å; M348-K352 WeakPolarHBondContact O-CB 3.49Å; M348-K352 PolarHBondContact O-N 2.98Å; M348-V399 HydrophobicContact CG-CG1 4.31Å; M348-I403 HydrophobicContact CG-CD1 3.95Å; M348-I403 HydrophobicContact CG-CG1 4.07Å; M348-I403 HydrophobicContact SD-CD1 4.19Å; M348-I403 HydrophobicContact SD-CG1 3.87Å
349I90.2Very high85.4Confident44 Ų4444.7 Ų44.723%0.22624%0.24CC..Hα-helixtrans-60-47.9171.9-70.6171.4000109.7I345 L351 K352 G353 F906 Y910I345-I349 HydrophobicContact CG2-CD1 3.66Å; I345-I349 HydrophobicContact CG2-CG1 4.18Å; I345-I349 WeakPolarHBondContact O-CG1 3.38Å; I345-I349 PolarHBondContact O-N 2.9Å; I349-L351 VanDerWaalsContact C-N 3.34Å; I349-L351 PolarHBondContact O-N 3.44Å; I349-K352 PolarHBondContact O-N 3.47Å; I349-G353 PolarHBondContact O-N 3.36Å; I349-F906 HydrophobicContact CD1-CE1 4.05Å; I349-F906 HydrophobicContact CG1-CE1 4.16Å; I349-Y910 HydrophobicContact CG2-CE2 3.95Å; I349-Y910 PolarHBondContact O-OH 3.3Å
350T92.6Very high87.1Confident79 Ų7948.5 Ų48.549%0.48525%0.25SC..Hα-helixtrans-57-47.9177.2-56.60000111.2E346 K347 M348 K352 G353 Q354E346-T350 WeakPolarHBondContact O-CB 3.49Å; E346-T350 PolarHBondContact O-N 2.93Å; E346-T350 PolarHBondContact O-OG1 3.2Å; K347-T350 WeakPolarHBondContact O-CB 3.47Å; K347-T350 PolarHBondContact O-N 2.92Å; M348-T350 VanDerWaalsContact C-N 3.35Å; T350-K352 PolarHBondContact O-N 3.43Å; T350-G353 PolarHBondContact O-N 3.41Å; T350-Q354 WeakPolarHBondContact O-CG 3.33Å; T350-Q354 PolarHBondContact O-N 3.42Å
351L94.2Very high88.6Confident2 Ų247.9 Ų47.91%0.0125%0.247CC..Hα-helixtrans-59-47.8176.6177.160.3000111.6V286 K347 M348 I349 G353 Q354 L355 I396 V399 I400 I403 L421V286-L351 HydrophobicContact CG2-CD2 4.19Å; K347-L351 WeakPolarHBondContact O-CB 3.27Å; K347-L351 PolarHBondContact O-N 2.79Å; M348-L351 PolarHBondContact O-N 3.15Å; I349-L351 VanDerWaalsContact C-N 3.34Å; I349-L351 PolarHBondContact O-N 3.44Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 3.43Å; L351-Q354 PolarHBondContact O-N 3.31Å; L351-L355 HydrophobicContact CD1-CD1 4.22Å; L351-L355 HydrophobicContact CD1-CG 4.15Å; L351-L355 HydrophobicContact CG-CD1 4.25Å; L351-L355 VanDerWaalsContact O-CG 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.36Å; L351-L355 PolarHBondContact O-N 3.02Å; L351-I396 HydrophobicContact CD1-CG1 4.34Å; L351-I396 HydrophobicContact CD1-CG2 3.78Å; L351-V399 HydrophobicContact CB-CG1 4.4Å; L351-V399 HydrophobicContact CD2-CB 4.45Å; L351-V399 HydrophobicContact CD2-CG1 3.78Å; L351-I400 HydrophobicContact CD2-CG1 3.89Å; L351-I403 HydrophobicContact CD2-CD1 3.9Å; L351-L421 HydrophobicContact CD2-CD1 4.4Å
352K94Very high90.1Very high17 Ų1741.4 Ų41.47%0.07422%0.217CC..Hα-helixtrans-57.3-45.3177.2-172.9-175.4171-169.80111.1I283 V286 K287 M348 I349 T350 L355 I356I283-K352 HydrophobicContact CG2-CG 4.35Å; V286-K352 HydrophobicContact CG1-CB 3.86Å; K287-K352 HydrophobicContact CB-CD 4.39Å; M348-K352 WeakPolarHBondContact O-CB 3.49Å; M348-K352 PolarHBondContact O-N 2.98Å; I349-K352 PolarHBondContact O-N 3.47Å; T350-K352 PolarHBondContact O-N 3.43Å; K352-L355 PolarHBondContact O-N 2.78Å; K352-I356 HydrophobicContact CG-CD1 3.95Å; K352-I356 VanDerWaalsContact O-CG1 3.31Å; K352-I356 WeakPolarHBondContact O-CG1 3.37Å; K352-I356 PolarHBondContact O-N 2.91Å
353G94.3Very high91.3Very high19 Ų1943 Ų4320%0.19622%0.217CC..Hα-helixtrans-60.7-45.317700000113.2I349 T350 L351 L355 I356 E357 Y910I349-G353 PolarHBondContact O-N 3.36Å; T350-G353 PolarHBondContact O-N 3.41Å; L351-G353 VanDerWaalsContact C-N 3.31Å; L351-G353 PolarHBondContact O-N 3.43Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 3.19Å; G353-I356 PolarHBondContact O-N 2.93Å; G353-E357 WeakPolarHBondContact O-CB 3.4Å; G353-E357 PolarHBondContact O-N 3.3Å; G353-Y910 WeakPolarHBondContact CA-OH 3.36Å; G353-Y910 PolarHBondContact N-OH 2.95Å
354Q95.7Very high92Very high27 Ų2747.4 Ų47.413%0.12624%0.237CC..Hα-helixtrans-61.8-39.7176.2-69.2173.4-45.400111.9T350 L351 L358 A386 G387 I388T350-Q354 WeakPolarHBondContact O-CG 3.33Å; T350-Q354 PolarHBondContact O-N 3.42Å; L351-Q354 PolarHBondContact O-N 3.31Å; Q354-L358 WeakPolarHBondContact O-CB 3.49Å; Q354-L358 PolarHBondContact O-N 2.93Å; Q354-A386 WeakPolarHBondContact CB-O 3.25Å; Q354-A386 WeakPolarHBondContact CG-O 3.28Å; Q354-G387 PolarHBondContact NE2-O 2.81Å; Q354-I388 HydrophobicContact CB-CD1 4.4Å; Q354-I388 HydrophobicContact CB-CG1 4.16Å
355L96Very high92.4Very high0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-70.9-37.1178.2-64.4-179.2000112.9L279 A282 I283 V286 L351 K352 G353 L358 E359 L421 V424L279-L355 HydrophobicContact CD1-CB 4.23Å; L279-L355 HydrophobicContact CD1-CD2 4.02Å; A282-L355 HydrophobicContact CB-CD1 4.22Å; I283-L355 HydrophobicContact CD1-CB 4.25Å; I283-L355 HydrophobicContact CG1-CB 3.61Å; I283-L355 HydrophobicContact CG1-CD1 4.49Å; V286-L355 HydrophobicContact CG2-CD1 4.5Å; L351-L355 HydrophobicContact CD1-CD1 4.22Å; L351-L355 HydrophobicContact CD1-CG 4.15Å; L351-L355 HydrophobicContact CG-CD1 4.25Å; L351-L355 VanDerWaalsContact O-CG 3.32Å; L351-L355 WeakPolarHBondContact O-CG 3.36Å; L351-L355 PolarHBondContact O-N 3.02Å; K352-L355 PolarHBondContact O-N 2.78Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 3.19Å; L355-L358 PolarHBondContact O-N 3.23Å; L355-E359 PolarHBondContact O-N 2.94Å; L355-L421 HydrophobicContact CD1-CD1 4.49Å; L355-V424 HydrophobicContact CD2-CG1 3.8Å
356I95.3Very high92.7Very high60 Ų6052.2 Ų52.231%0.30826%0.26SS..Hα-helixtrans-64.8-44.4173.4-70.2167.4000110.5I283 K352 G353 L358 E359 R360I283-I356 HydrophobicContact CD1-CG1 4.17Å; I283-I356 HydrophobicContact CG1-CG1 4.4Å; I283-I356 HydrophobicContact CG2-CD1 4.23Å; I283-I356 HydrophobicContact CG2-CG1 3.78Å; K352-I356 HydrophobicContact CG-CD1 3.95Å; K352-I356 VanDerWaalsContact O-CG1 3.31Å; K352-I356 WeakPolarHBondContact O-CG1 3.37Å; K352-I356 PolarHBondContact O-N 2.91Å; G353-I356 PolarHBondContact O-N 2.93Å; I356-L358 VanDerWaalsContact C-N 3.31Å; I356-L358 PolarHBondContact O-N 3.02Å; I356-E359 WeakPolarHBondContact O-CB 3.5Å; I356-E359 PolarHBondContact O-N 3.3Å; I356-R360 PolarHBondContact O-N 3.45Å
357E96.1Very high92.9Very high58 Ų5846 Ų4627%0.27123%0.233SC..Hα-helixtrans-64.3-39.1177.1179.959.8-169.700111.2G353 R360 L361 A386G353-E357 WeakPolarHBondContact O-CB 3.4Å; G353-E357 PolarHBondContact O-N 3.3Å; E357-R360 PolarHBondContact O-N 3.42Å; E357-R360 IonicContact OE1-CZ 3.2Å; E357-R360 IonicContact OE1-NE 3.97Å; E357-R360 PolarHBondContact OE1-NE 2.96Å; E357-R360 IonicContact OE1-NH2 3.64Å; E357-R360 PolarHBondContact OE1-NH2 3.42Å; E357-R360 IonicContact OE2-CZ 2.7Å; E357-R360 IonicContact OE2-NE 3.27Å; E357-R360 PolarHBondContact OE2-NE 2.73Å; E357-R360 IonicContact OE2-NH2 3.14Å; E357-L361 HydrophobicContact CG-CD1 4.05Å; E357-L361 HydrophobicContact CG-CG 4.44Å; E357-L361 WeakPolarHBondContact O-CB 3.36Å; E357-L361 WeakPolarHBondContact O-CG 3.48Å; E357-L361 PolarHBondContact O-N 2.92Å; E357-A386 HydrophobicContact CB-CB 4.43Å; E357-A386 HydrophobicContact CG-CB 4.22Å
358L94.8Very high93Very high5 Ų544.8 Ų44.83%0.02623%0.234CC..Hα-helixtrans-60.2-46172.1-178.759.3000111.4L279 Q354 L355 I356 R360 L361 I362 L382 L383 A386 I388L279-L358 HydrophobicContact CD1-CD2 4.4Å; L279-L358 HydrophobicContact CD2-CD2 4.48Å; L279-L358 HydrophobicContact CD2-CG 4.26Å; Q354-L358 WeakPolarHBondContact O-CB 3.49Å; Q354-L358 PolarHBondContact O-N 2.93Å; L355-L358 PolarHBondContact O-N 3.23Å; I356-L358 VanDerWaalsContact C-N 3.31Å; I356-L358 PolarHBondContact O-N 3.02Å; L358-R360 PolarHBondContact O-N 3.12Å; L358-L361 PolarHBondContact O-N 3.38Å; L358-I362 HydrophobicContact CD1-CD1 3.87Å; L358-I362 HydrophobicContact CD1-CG1 4.17Å; L358-I362 HydrophobicContact CG-CD1 3.75Å; L358-I362 HydrophobicContact CG-CG1 4.45Å; L358-I362 WeakPolarHBondContact O-CB 3.47Å; L358-I362 WeakPolarHBondContact O-CD1 3.35Å; L358-I362 WeakPolarHBondContact O-CG1 3.4Å; L358-I362 PolarHBondContact O-N 2.94Å; L358-L382 HydrophobicContact CD1-CG 4.37Å; L358-L383 HydrophobicContact CD1-CD2 3.96Å; L358-L383 HydrophobicContact CD2-CD2 4.05Å; L358-A386 HydrophobicContact CB-CB 3.82Å; L358-A386 HydrophobicContact CD1-CB 4.33Å; L358-I388 HydrophobicContact CD2-CD1 4.22Å
359E94.7Very high92.8Very high52 Ų5251.1 Ų51.124%0.24328%0.275CS..Hα-helixtrans-58.4-47.2176.3-174.6174.6-130.400111.5L279 I283 L355 I356 L361 I362 D363L279-E359 HydrophobicContact CD2-CB 3.78Å; L279-E359 HydrophobicContact CD2-CG 4.36Å; L279-E359 HydrophobicContact CG-CB 4.35Å; I283-E359 HydrophobicContact CD1-CB 4.05Å; I283-E359 WeakPolarHBondContact CD1-OE2 3.38Å; L355-E359 PolarHBondContact O-N 2.94Å; I356-E359 WeakPolarHBondContact O-CB 3.5Å; I356-E359 PolarHBondContact O-N 3.3Å; E359-L361 PolarHBondContact O-N 3.37Å; E359-I362 WeakPolarHBondContact O-CB 3.39Å; E359-I362 PolarHBondContact O-N 2.9Å; E359-D363 PolarHBondContact O-N 2.73Å
360R94.9Very high92.5Very high101 Ų10156.3 Ų56.338%0.38130%0.298SS..Hα-helixtrans-57.4-49.5176.3-169.8-168.872.475.57.1111.9I356 E357 L358 I362 D363 E364I356-R360 PolarHBondContact O-N 3.45Å; E357-R360 PolarHBondContact O-N 3.42Å; E357-R360 IonicContact OE1-CZ 3.2Å; E357-R360 IonicContact OE1-NE 3.97Å; E357-R360 PolarHBondContact OE1-NE 2.96Å; E357-R360 IonicContact OE1-NH2 3.64Å; E357-R360 PolarHBondContact OE1-NH2 3.42Å; E357-R360 IonicContact OE2-CZ 2.7Å; E357-R360 IonicContact OE2-NE 3.27Å; E357-R360 PolarHBondContact OE2-NE 2.73Å; E357-R360 IonicContact OE2-NH2 3.14Å; L358-R360 PolarHBondContact O-N 3.12Å; R360-I362 VanDerWaalsContact C-N 3.27Å; R360-I362 PolarHBondContact O-N 3.26Å; R360-D363 PolarHBondContact O-N 3.31Å; R360-E364 IonicContact CZ-OE1 3.24Å; R360-E364 IonicContact CZ-OE2 2.79Å; R360-E364 IonicContact NH1-OE1 2.7Å; R360-E364 PolarHBondContact NH1-OE1 2.92Å; R360-E364 IonicContact NH1-OE2 3.74Å; R360-E364 PolarHBondContact NH1-OE2 2.99Å; R360-E364 IonicContact NH2-OE2 3.62Å; R360-E364 WeakPolarHBondContact O-CG 3.49Å; R360-E364 PolarHBondContact O-N 3.4Å
361L94.1Very high92.5Very high3 Ų353 Ų532%0.01628%0.28CS..Hα-helixtrans-63.3-34.3179.8-71.7169.8000112.4E357 L358 E359 L365 L382 R385 A386E357-L361 HydrophobicContact CG-CD1 4.05Å; E357-L361 HydrophobicContact CG-CG 4.44Å; E357-L361 WeakPolarHBondContact O-CB 3.36Å; E357-L361 WeakPolarHBondContact O-CG 3.48Å; E357-L361 PolarHBondContact O-N 2.92Å; L358-L361 PolarHBondContact O-N 3.38Å; E359-L361 PolarHBondContact O-N 3.37Å; L361-L365 WeakPolarHBondContact O-CG 3.39Å; L361-L382 HydrophobicContact CB-CD1 3.84Å; L361-R385 HydrophobicContact CD1-CB 3.56Å; L361-R385 HydrophobicContact CD2-CB 4.38Å; L361-A386 HydrophobicContact CD1-CB 4.01Å
362I91.9Very high92.5Very high7 Ų754.4 Ų54.44%0.03629%0.287CS..Hα-helixtrans-68.9-42.2176.2-71169.4000110.8L279 L358 E359 R360 E364 L365 L382 R495 I497L279-I362 HydrophobicContact CD2-CD1 3.79Å; L358-I362 HydrophobicContact CD1-CD1 3.87Å; L358-I362 HydrophobicContact CD1-CG1 4.17Å; L358-I362 HydrophobicContact CG-CD1 3.75Å; L358-I362 HydrophobicContact CG-CG1 4.45Å; L358-I362 WeakPolarHBondContact O-CB 3.47Å; L358-I362 WeakPolarHBondContact O-CD1 3.35Å; L358-I362 WeakPolarHBondContact O-CG1 3.4Å; L358-I362 PolarHBondContact O-N 2.94Å; E359-I362 WeakPolarHBondContact O-CB 3.39Å; E359-I362 PolarHBondContact O-N 2.9Å; R360-I362 VanDerWaalsContact C-N 3.27Å; R360-I362 PolarHBondContact O-N 3.26Å; I362-E364 VanDerWaalsContact C-N 3.34Å; I362-L365 WeakPolarHBondContact O-CB 3.27Å; I362-L365 PolarHBondContact O-N 2.88Å; I362-L382 HydrophobicContact CG1-CD2 4.4Å; I362-R495 HydrophobicContact CG2-CG 4.12Å; I362-R495 PolarHBondContact O-NH1 3.08Å; I362-I497 HydrophobicContact CB-CD1 4.09Å; I362-I497 HydrophobicContact CD1-CD1 3.28Å; I362-I497 HydrophobicContact CG1-CD1 3.32Å; I362-I497 HydrophobicContact CG2-CD1 3.69Å; I362-I497 HydrophobicContact CG2-CG1 4.37Å
363D89.3Confident92.5Very high95 Ų9556.2 Ų56.251%0.50830%0.3SS..Hα-helixtrans-68.4-32.8-179.7-76.8-13000112.3E359 R360 L365 R495E359-D363 PolarHBondContact O-N 2.73Å; R360-D363 PolarHBondContact O-N 3.31Å; D363-L365 PolarHBondContact O-N 3.03Å; D363-R495 PolarHBondContact O-NH1 3.12Å
364E91.2Very high92.5Very high105 Ų10559.5 Ų59.549%0.49131%0.309SS..THydrogen-bonded Turntrans-68.4-13.5175.7-74.8-175.2159.500114.7R360 I362 N366R360-E364 IonicContact CZ-OE1 3.24Å; R360-E364 IonicContact CZ-OE2 2.79Å; R360-E364 IonicContact NH1-OE1 2.7Å; R360-E364 PolarHBondContact NH1-OE1 2.92Å; R360-E364 IonicContact NH1-OE2 3.74Å; R360-E364 PolarHBondContact NH1-OE2 2.99Å; R360-E364 IonicContact NH2-OE2 3.62Å; R360-E364 WeakPolarHBondContact O-CG 3.49Å; R360-E364 PolarHBondContact O-N 3.4Å; I362-E364 VanDerWaalsContact C-N 3.34Å; E364-N366 PolarHBondContact O-N 3.02Å
365L91Very high92.3Very high27 Ų2761.5 Ų61.514%0.14132%0.32CS..SBendtrans-70.5124177.7-63172.9000110.5L361 I362 D363 V367 L372 F378 I464 R495L361-L365 WeakPolarHBondContact O-CG 3.39Å; I362-L365 WeakPolarHBondContact O-CB 3.27Å; I362-L365 PolarHBondContact O-N 2.88Å; D363-L365 PolarHBondContact O-N 3.03Å; L365-V367 HydrophobicContact CB-CG2 4.4Å; L365-V367 PolarHBondContact O-N 3.32Å; L365-V367 VanDerWaalsContact O-N 3.1Å; L365-L372 HydrophobicContact CB-CD2 4.43Å; L365-F378 HydrophobicContact CD2-CE1 4.47Å; L365-F378 HydrophobicContact CD2-CZ 4.09Å; L365-I464 HydrophobicContact CD1-CD1 3.37Å; L365-R495 PolarHBondContact O-NH1 3Å
366N91Very high92Very high154 Ų15461.5 Ų61.582%0.82432%0.32SS*.  trans-74.298.8172.9-71.1-41.2000110E364E364-N366 PolarHBondContact O-N 3.02Å
367V90.5Very high91.8Very high25 Ų2561.5 Ų61.515%0.15233%0.326CS..  trans-97.4116.5-178.6-177.10000109.9L365 L372 I464L365-V367 HydrophobicContact CB-CG2 4.4Å; L365-V367 PolarHBondContact O-N 3.32Å; L365-V367 VanDerWaalsContact O-N 3.1Å; V367-L372 HydrophobicContact CG1-CB 4.4Å; V367-L372 HydrophobicContact CG2-CB 4.36Å; V367-I464 HydrophobicContact CG2-CB 4.37Å; V367-I464 HydrophobicContact CG2-CG2 3.69Å
368P91.2Very high91.6Very high60 Ų6061 Ų6139%0.3932%0.322SS..  trans-72.5165.5173.932.1-34.4000111E370 G371P368-E370 PolarHBondContact O-N 2.74Å; P368-E370 VanDerWaalsContact O-N 3.13Å; P368-G371 VanDerWaalsContact CG-O 3.32Å; P368-G371 WeakPolarHBondContact CG-O 3.47Å; P368-G371 WeakPolarHBondContact O-CA 3.48Å; P368-G371 PolarHBondContact O-N 3.49Å
369P85.6Confident91.5Very high133 Ų13360.8 Ų60.886%0.86432%0.321SS*.THydrogen-bonded Turntrans-56.1-32-178.8-26.634.7000115G371P369-G371 PolarHBondContact O-N 2.9Å
370E85.1Confident91.4Very high153 Ų15360.4 Ų60.472%0.71532%0.319SS*.THydrogen-bonded Turntrans-74.9-12.1177.6-55.8-75.8175.600112.9P368P368-E370 PolarHBondContact O-N 2.74Å; P368-E370 VanDerWaalsContact O-N 3.13Å
371G91.1Very high91.2Very high11 Ų1159.2 Ų59.211%0.11332%0.321CS..  trans92.8157-170.200000113.6P368 P369 I464P368-G371 VanDerWaalsContact CG-O 3.32Å; P368-G371 WeakPolarHBondContact CG-O 3.47Å; P368-G371 WeakPolarHBondContact O-CA 3.48Å; P368-G371 PolarHBondContact O-N 3.49Å; P369-G371 PolarHBondContact O-N 2.9Å; G371-I464 CarbonylContact C-O 3.53Å; G371-I464 WeakPolarHBondContact CA-O 3.42Å
372L94.3Very high91.1Very high31 Ų3159.2 Ų59.216%0.16232%0.32CS..EExtended strand (participates in β ladder)trans-102.1121.3177.5178.365.8000109.7L365 V367 K374 H463 I464L365-L372 HydrophobicContact CB-CD2 4.43Å; V367-L372 HydrophobicContact CG1-CB 4.4Å; V367-L372 HydrophobicContact CG2-CB 4.36Å; L372-K374 HydrophobicContact CG-CG 4.49Å; L372-H463 WeakPolarHBondContact O-CA 3.32Å; L372-I464 HydrophobicContact CB-CB 4.36Å; L372-I464 HydrophobicContact CD2-CD1 4.48Å; L372-I464 PolarHBondContact N-O 2.68Å; L372-I464 PolarHBondContact O-N 3.37Å
373T95.2Very high91.2Very high55 Ų5558.9 Ų58.934%0.33732%0.319SS..EExtended strand (participates in β ladder)trans-107.7135173.7-53.30000111R461 L462 H463 L702T373-R461 HydrophobicContact CG2-CB 4.44Å; T373-L462 CarbonylContact C-O 3.58Å; T373-L462 VanDerWaalsContact CA-O 3.31Å; T373-L462 WeakPolarHBondContact CA-O 3.44Å; T373-H463 PolarHBondContact OG1-ND1 3.49Å; T373-L702 HydrophobicContact CG2-CD1 3.73Å; T373-L702 HydrophobicContact CG2-CD2 3.69Å; T373-L702 HydrophobicContact CG2-CG 4.37Å
374K94.4Very high91.4Very high87 Ų8757 Ų5738%0.37831%0.313SS..EExtended strand (participates in β ladder)trans-127.9162.4173.5-63.2-66.6-172.3178.30110.7L372 F378 L462L372-K374 HydrophobicContact CG-CG 4.49Å; K374-F378 HydrophobicContact CB-CB 3.79Å; K374-F378 HydrophobicContact CB-CD1 4.06Å; K374-F378 HydrophobicContact CB-CG 3.91Å; K374-F378 HydrophobicContact CG-CB 4.43Å; K374-F378 HydrophobicContact CG-CD1 3.99Å; K374-F378 HydrophobicContact CG-CD2 4.41Å; K374-F378 HydrophobicContact CG-CE1 4.35Å; K374-F378 HydrophobicContact CG-CG 4.01Å; K374-L462 HydrophobicContact CB-CB 4.36Å; K374-L462 PolarHBondContact N-O 2.92Å; K374-L462 PolarHBondContact O-N 3.36Å
375D91.7Very high91.5Very high70 Ų7058.2 Ų58.237%0.37431%0.313SS..EExtended strand (participates in β ladder)trans-60.7153.9170.7-176.7-100.4000111.2S377 F378D375-S377 PolarHBondContact O-N 3.07Å; D375-S377 VanDerWaalsContact O-N 3.12Å; D375-S377 VanDerWaalsContact OD1-CB 3.28Å; D375-S377 WeakPolarHBondContact OD1-CB 3.2Å; D375-S377 PolarHBondContact OD1-N 3.42Å; D375-S377 PolarHBondContact OD1-OG 3.04Å; D375-F378 WeakPolarHBondContact O-CB 2.99Å; D375-F378 PolarHBondContact O-N 2.85Å; D375-F378 VanDerWaalsContact O-N 3.13Å
376G89.5Confident91.7Very high0 Ų057.2 Ų57.20%031%0.309CS..THydrogen-bonded Turntrans-59-21.517900000114.2I379 Y460 Y499G376-I379 VanDerWaalsContact O-CG2 3.26Å; G376-I379 WeakPolarHBondContact O-CG2 3.27Å; G376-Y460 PolarHBondContact N-O 3.37Å; G376-Y499 WeakPolarHBondContact O-CE2 3.46Å; G376-Y499 PolarHBondContact O-OH 3.03Å
377S89.6Confident91.7Very high60 Ų6051.3 Ų51.342%0.4228%0.284SS..THydrogen-bonded Turntrans-72.6-27.1176.955.50000114.1D375 I379 F380D375-S377 PolarHBondContact O-N 3.07Å; D375-S377 VanDerWaalsContact O-N 3.12Å; D375-S377 VanDerWaalsContact OD1-CB 3.28Å; D375-S377 WeakPolarHBondContact OD1-CB 3.2Å; D375-S377 PolarHBondContact OD1-N 3.42Å; D375-S377 PolarHBondContact OD1-OG 3.04Å; S377-I379 PolarHBondContact O-N 3.13Å; S377-I379 VanDerWaalsContact O-N 3.14Å; S377-F380 WeakPolarHBondContact O-CD2 3.05Å; S377-F380 PolarHBondContact O-N 3.01Å; S377-F380 VanDerWaalsContact O-N 3.09Å
378F93Very high91.8Very high46 Ų4650.1 Ų50.120%0.20228%0.277CS..Hα-helixtrans-60.7-28.1-176.1179.4-95.2000112.7L365 K374 D375 F380 D381 L382 L462L365-F378 HydrophobicContact CD2-CE1 4.47Å; L365-F378 HydrophobicContact CD2-CZ 4.09Å; K374-F378 HydrophobicContact CB-CB 3.79Å; K374-F378 HydrophobicContact CB-CD1 4.06Å; K374-F378 HydrophobicContact CB-CG 3.91Å; K374-F378 HydrophobicContact CG-CB 4.43Å; K374-F378 HydrophobicContact CG-CD1 3.99Å; K374-F378 HydrophobicContact CG-CD2 4.41Å; K374-F378 HydrophobicContact CG-CE1 4.35Å; K374-F378 HydrophobicContact CG-CG 4.01Å; D375-F378 WeakPolarHBondContact O-CB 2.99Å; D375-F378 PolarHBondContact O-N 2.85Å; D375-F378 VanDerWaalsContact O-N 3.13Å; F378-F380 PolarHBondContact O-N 3.17Å; F378-D381 PolarHBondContact O-N 3.33Å; F378-L382 HydrophobicContact CE1-CB 4.23Å; F378-L382 HydrophobicContact CE1-CD2 4.44Å; F378-L382 PolarHBondContact O-N 2.85Å; F378-L462 HydrophobicContact CD1-CD2 3.57Å; F378-L462 HydrophobicContact CE1-CD2 4.18Å
379I92.4Very high91.8Very high1 Ų150 Ų501%0.00527%0.273CS..Hα-helixtrans-61.3-33.5178.9-166.453.8000112.4G376 S377 L382 L383 F427 V431 L462 Y499G376-I379 VanDerWaalsContact O-CG2 3.26Å; G376-I379 WeakPolarHBondContact O-CG2 3.27Å; S377-I379 PolarHBondContact O-N 3.13Å; S377-I379 VanDerWaalsContact O-N 3.14Å; I379-L382 HydrophobicContact CD1-CD2 4.19Å; I379-L382 PolarHBondContact O-N 3.43Å; I379-L383 HydrophobicContact CD1-CD1 4.32Å; I379-L383 HydrophobicContact CD1-CG 4.19Å; I379-L383 HydrophobicContact CG1-CD1 3.94Å; I379-L383 HydrophobicContact CG1-CG 4.27Å; I379-L383 WeakPolarHBondContact O-CB 3.5Å; I379-L383 VanDerWaalsContact O-CG 3.26Å; I379-L383 WeakPolarHBondContact O-CG 3.08Å; I379-L383 PolarHBondContact O-N 2.86Å; I379-F427 HydrophobicContact CD1-CE1 4.06Å; I379-F427 HydrophobicContact CD1-CZ 3.76Å; I379-F427 HydrophobicContact CG1-CE1 4.46Å; I379-F427 HydrophobicContact CG1-CZ 4.27Å; I379-V431 HydrophobicContact CG1-CG1 4.12Å; I379-V431 HydrophobicContact CG1-CG2 4.07Å; I379-V431 HydrophobicContact CG2-CG1 3.86Å; I379-L462 HydrophobicContact CB-CD1 4.4Å; I379-L462 HydrophobicContact CD1-CD1 3.97Å; I379-L462 HydrophobicContact CD1-CD2 4.38Å; I379-L462 HydrophobicContact CG1-CD1 4.41Å; I379-Y499 HydrophobicContact CB-CD2 4.43Å; I379-Y499 HydrophobicContact CB-CE2 4.28Å; I379-Y499 HydrophobicContact CG2-CD2 4.28Å; I379-Y499 HydrophobicContact CG2-CE2 3.71Å
380F91.7Very high91.6Very high45 Ų4546 Ų4620%0.19724%0.243CC..Hα-helixtrans-71.8-37.9180-59.8-68.8000111.3S377 F378 S384 V431 F432 L435 I457S377-F380 WeakPolarHBondContact O-CD2 3.05Å; S377-F380 PolarHBondContact O-N 3.01Å; S377-F380 VanDerWaalsContact O-N 3.09Å; F378-F380 PolarHBondContact O-N 3.17Å; F380-S384 WeakPolarHBondContact O-CB 3.31Å; F380-S384 PolarHBondContact O-N 3.37Å; F380-S384 PolarHBondContact O-OG 3.39Å; F380-V431 HydrophobicContact CD1-CG1 4.12Å; F380-V431 HydrophobicContact CE1-CG1 3.62Å; F380-V431 HydrophobicContact CZ-CG1 4.2Å; F380-F432 HydrophobicContact CD1-CD1 4.37Å; F380-F432 AromaticContact CD1-CE1 3.87Å; F380-F432 HydrophobicContact CD1-CE1 3.87Å; F380-F432 HydrophobicContact CE1-CD1 4.13Å; F380-F432 HydrophobicContact CE1-CE1 4.1Å; F380-L435 HydrophobicContact CE1-CD1 4.29Å; F380-I457 HydrophobicContact CE2-CD1 3.95Å; F380-I457 HydrophobicContact CE2-CG1 4.15Å
381D91.3Very high91.6Very high76 Ų7648.3 Ų48.341%0.40625%0.245SC..Hα-helixtrans-62.1-51.2172179.963.4000110.5F378 L383 S384 R385F378-D381 PolarHBondContact O-N 3.33Å; D381-L383 PolarHBondContact O-N 2.95Å; D381-S384 PolarHBondContact O-N 2.95Å; D381-S384 PolarHBondContact O-OG 2.88Å; D381-R385 WeakPolarHBondContact O-CG 3.41Å; D381-R385 PolarHBondContact O-N 3.4Å
382L92.9Very high91.5Very high2 Ų249.7 Ų49.71%0.0125%0.251CS..Hα-helixtrans-56.2-49.4179.4-176.467.5000112.2L358 L361 I362 F378 I379 A386L358-L382 HydrophobicContact CD1-CG 4.37Å; L361-L382 HydrophobicContact CB-CD1 3.84Å; I362-L382 HydrophobicContact CG1-CD2 4.4Å; F378-L382 HydrophobicContact CE1-CB 4.23Å; F378-L382 HydrophobicContact CE1-CD2 4.44Å; F378-L382 PolarHBondContact O-N 2.85Å; I379-L382 HydrophobicContact CD1-CD2 4.19Å; I379-L382 PolarHBondContact O-N 3.43Å; L382-A386 PolarHBondContact O-N 2.91Å
383L94.3Very high91.2Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-66.7-40.7178.5-71.4174.8000111.7L358 I379 D381 R385 A386 G387 I388 F427 L428 V431 F432L358-L383 HydrophobicContact CD1-CD2 3.96Å; L358-L383 HydrophobicContact CD2-CD2 4.05Å; I379-L383 HydrophobicContact CD1-CD1 4.32Å; I379-L383 HydrophobicContact CD1-CG 4.19Å; I379-L383 HydrophobicContact CG1-CD1 3.94Å; I379-L383 HydrophobicContact CG1-CG 4.27Å; I379-L383 WeakPolarHBondContact O-CB 3.5Å; I379-L383 VanDerWaalsContact O-CG 3.26Å; I379-L383 WeakPolarHBondContact O-CG 3.08Å; I379-L383 PolarHBondContact O-N 2.86Å; D381-L383 PolarHBondContact O-N 2.95Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.43Å; L383-A386 CarbonylContact O-C 3.3Å; L383-A386 WeakPolarHBondContact O-CA 3.22Å; L383-A386 WeakPolarHBondContact O-CB 3.32Å; L383-A386 PolarHBondContact O-N 3.39Å; L383-G387 PolarHBondContact O-N 3.35Å; L383-I388 CarbonylContact C-O 3.55Å; L383-I388 HydrophobicContact CB-CB 4.09Å; L383-I388 HydrophobicContact CB-CG2 4.33Å; L383-I388 WeakPolarHBondContact CB-O 3.5Å; L383-I388 HydrophobicContact CD2-CB 4.36Å; L383-I388 HydrophobicContact CD2-CD1 4.23Å; L383-I388 HydrophobicContact CD2-CG2 4.32Å; L383-I388 CarbonylContact O-C 3.44Å; L383-I388 WeakPolarHBondContact O-CA 3.47Å; L383-I388 WeakPolarHBondContact O-CB 3.44Å; L383-I388 PolarHBondContact O-N 3.08Å; L383-F427 HydrophobicContact CD2-CE1 4.44Å; L383-L428 HydrophobicContact CD1-CD2 4.11Å; L383-L428 HydrophobicContact CD2-CD2 3.99Å; L383-V431 HydrophobicContact CD1-CB 4.44Å; L383-V431 HydrophobicContact CD1-CG1 3.76Å; L383-F432 HydrophobicContact CB-CZ 4.37Å; L383-F432 HydrophobicContact CD1-CE2 3.75Å; L383-F432 HydrophobicContact CD1-CZ 3.78Å
384S92.6Very high90.7Very high57 Ų5750.5 Ų50.540%0.39925%0.254SS..Hα-helixtrans-63.6-34.5-17973.40000112.6F380 D381 A386 G387 I388F380-S384 WeakPolarHBondContact O-CB 3.31Å; F380-S384 PolarHBondContact O-N 3.37Å; F380-S384 PolarHBondContact O-OG 3.39Å; D381-S384 PolarHBondContact O-N 2.95Å; D381-S384 PolarHBondContact O-OG 2.88Å; S384-A386 VanDerWaalsContact C-N 3.27Å; S384-A386 PolarHBondContact O-N 2.81Å; S384-G387 WeakPolarHBondContact O-CA 3.14Å; S384-G387 PolarHBondContact O-N 2.74Å; S384-I388 WeakPolarHBondContact CA-O 3.5Å; S384-I388 PolarHBondContact N-O 2.74Å; S384-I388 VanDerWaalsContact N-O 3.12Å
385R93.6Very high90.3Very high130 Ų13050 Ų5049%0.49126%0.258SS..Hα-helixtrans-64.8-31.5173.4-71.717260.6179.4-2.1112.3L361 D381 L383 G387L361-R385 HydrophobicContact CD1-CB 3.56Å; L361-R385 HydrophobicContact CD2-CB 4.38Å; D381-R385 WeakPolarHBondContact O-CG 3.41Å; D381-R385 PolarHBondContact O-N 3.4Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.43Å; R385-G387 PolarHBondContact O-N 3.01Å
386A94.3Very high90.3Very high5 Ų547 Ų474%0.04124%0.242CC..THydrogen-bonded Turntrans-79.75.1170.500000114Q354 E357 L358 L361 L382 L383 S384 I388Q354-A386 WeakPolarHBondContact CB-O 3.25Å; Q354-A386 WeakPolarHBondContact CG-O 3.28Å; E357-A386 HydrophobicContact CB-CB 4.43Å; E357-A386 HydrophobicContact CG-CB 4.22Å; L358-A386 HydrophobicContact CB-CB 3.82Å; L358-A386 HydrophobicContact CD1-CB 4.33Å; L361-A386 HydrophobicContact CD1-CB 4.01Å; L382-A386 PolarHBondContact O-N 2.91Å; L383-A386 CarbonylContact O-C 3.3Å; L383-A386 WeakPolarHBondContact O-CA 3.22Å; L383-A386 WeakPolarHBondContact O-CB 3.32Å; L383-A386 PolarHBondContact O-N 3.39Å; S384-A386 VanDerWaalsContact C-N 3.27Å; S384-A386 PolarHBondContact O-N 2.81Å; A386-I388 VanDerWaalsContact C-N 3.29Å; A386-I388 HydrophobicContact CB-CD1 4.38Å; A386-I388 HydrophobicContact CB-CG1 4.35Å; A386-I388 PolarHBondContact O-N 3.17Å
387G92Very high90.1Very high30 Ų3047.8 Ų47.831%0.30925%0.246SC..THydrogen-bonded Turntrans77.111.3-174.900000114.4Q354 L383 S384 R385 T392Q354-G387 PolarHBondContact NE2-O 2.81Å; L383-G387 PolarHBondContact O-N 3.35Å; S384-G387 WeakPolarHBondContact O-CA 3.14Å; S384-G387 PolarHBondContact O-N 2.74Å; R385-G387 PolarHBondContact O-N 3.01Å; G387-T392 PolarHBondContact O-OG1 3.46Å
388I92.8Very high89.8Confident1 Ų148.2 Ų48.21%0.00525%0.246CC..  trans-102.8110.4-179.2-54175.9000109.1Q354 L358 L383 S384 A386 T392 I396 L428 F432Q354-I388 HydrophobicContact CB-CD1 4.4Å; Q354-I388 HydrophobicContact CB-CG1 4.16Å; L358-I388 HydrophobicContact CD2-CD1 4.22Å; L383-I388 CarbonylContact C-O 3.55Å; L383-I388 HydrophobicContact CB-CB 4.09Å; L383-I388 HydrophobicContact CB-CG2 4.33Å; L383-I388 WeakPolarHBondContact CB-O 3.5Å; L383-I388 HydrophobicContact CD2-CB 4.36Å; L383-I388 HydrophobicContact CD2-CD1 4.23Å; L383-I388 HydrophobicContact CD2-CG2 4.32Å; L383-I388 CarbonylContact O-C 3.44Å; L383-I388 WeakPolarHBondContact O-CA 3.47Å; L383-I388 WeakPolarHBondContact O-CB 3.44Å; L383-I388 PolarHBondContact O-N 3.08Å; S384-I388 WeakPolarHBondContact CA-O 3.5Å; S384-I388 PolarHBondContact N-O 2.74Å; S384-I388 VanDerWaalsContact N-O 3.12Å; A386-I388 VanDerWaalsContact C-N 3.29Å; A386-I388 HydrophobicContact CB-CD1 4.38Å; A386-I388 HydrophobicContact CB-CG1 4.35Å; A386-I388 PolarHBondContact O-N 3.17Å; I388-T392 WeakPolarHBondContact CA-OG1 3.43Å; I388-I396 HydrophobicContact CB-CD1 4.25Å; I388-I396 HydrophobicContact CG1-CD1 3.88Å; I388-I396 HydrophobicContact CG2-CD1 3.88Å; I388-L428 HydrophobicContact CG2-CD1 4.4Å; I388-L428 HydrophobicContact CG2-CD2 3.78Å; I388-F432 HydrophobicContact CG2-CE2 3.8Å; I388-F432 HydrophobicContact CG2-CZ 4.16Å
389N89.7Confident89.6Confident56 Ų5646.2 Ų46.230%0.29924%0.238SC..  trans-136.4179.5178.263.550.6000109.7W391 T392 N393N389-W391 VanDerWaalsContact C-N 3.25Å; N389-W391 PolarHBondContact O-N 3.38Å; N389-W391 WeakPolarHBondContact OD1-CB 3.5Å; N389-W391 PolarHBondContact OD1-N 3.5Å; N389-T392 PolarHBondContact N-OG1 3.31Å; N389-T392 PolarHBondContact O-N 3.22Å; N389-T392 PolarHBondContact O-OG1 2.99Å; N389-T392 PolarHBondContact OD1-N 2.94Å; N389-T392 PolarHBondContact OD1-OG1 2.91Å; N389-N393 VanDerWaalsContact O-CB 3.26Å; N389-N393 WeakPolarHBondContact O-CB 3.32Å; N389-N393 PolarHBondContact O-N 3.25Å
390H82.9Confident89.3Confident50 Ų5046.2 Ų46.223%0.23124%0.237CC..Hα-helixtrans-54.2-41.1-178.1179.2-98.8000113.2F432 L435H390-F432 HydrophobicContact CB-CD1 4.23Å; H390-L435 HydrophobicContact CB-CD1 4Å; H390-L435 VanDerWaalsContact CD2-CB 3.5Å; H390-L435 WeakPolarHBondContact CD2-CB 3.48Å; H390-L435 VanDerWaalsContact CD2-CD1 3.44Å; H390-L435 WeakPolarHBondContact CD2-CD1 3.38Å
391W84.6Confident88.6Confident202 Ų20248 Ų4877%0.76525%0.249SC*.Hα-helixtrans-74.1-43.4-177.6-43.2100.5000111.8N389 N393N389-W391 VanDerWaalsContact C-N 3.25Å; N389-W391 PolarHBondContact O-N 3.38Å; N389-W391 WeakPolarHBondContact OD1-CB 3.5Å; N389-W391 PolarHBondContact OD1-N 3.5Å; W391-N393 VanDerWaalsContact C-N 3.3Å; W391-N393 PolarHBondContact O-N 3.23Å
392T89.6Confident88.1Confident40 Ų4046.8 Ų46.825%0.24524%0.241CC..Hα-helixtrans-73.8-24.2178.960.30000112.2G387 I388 N389 N394 T395 I396G387-T392 PolarHBondContact O-OG1 3.46Å; I388-T392 WeakPolarHBondContact CA-OG1 3.43Å; N389-T392 PolarHBondContact N-OG1 3.31Å; N389-T392 PolarHBondContact O-N 3.22Å; N389-T392 PolarHBondContact O-OG1 2.99Å; N389-T392 PolarHBondContact OD1-N 2.94Å; N389-T392 PolarHBondContact OD1-OG1 2.91Å; T392-N394 VanDerWaalsContact C-N 3.33Å; T392-N394 PolarHBondContact O-N 3.27Å; T392-T395 PolarHBondContact O-N 3.01Å; T392-I396 VanDerWaalsContact O-CG1 3.3Å; T392-I396 WeakPolarHBondContact O-CG1 3.28Å; T392-I396 PolarHBondContact O-N 3.24Å
393N87Confident87.7Confident10 Ų1046.7 Ų46.75%0.05324%0.24CC..Hα-helixtrans-57.9-42.1177.918057.2000112.2N389 W391 T395 I396 Q397 L428 F432N389-N393 VanDerWaalsContact O-CB 3.26Å; N389-N393 WeakPolarHBondContact O-CB 3.32Å; N389-N393 PolarHBondContact O-N 3.25Å; W391-N393 VanDerWaalsContact C-N 3.3Å; W391-N393 PolarHBondContact O-N 3.23Å; N393-T395 VanDerWaalsContact C-N 3.32Å; N393-T395 PolarHBondContact O-N 3.05Å; N393-I396 PolarHBondContact O-N 3.03Å; N393-Q397 WeakPolarHBondContact O-CB 3.37Å; N393-Q397 VanDerWaalsContact O-CG 3.23Å; N393-Q397 WeakPolarHBondContact O-CG 3.44Å; N393-Q397 PolarHBondContact O-N 2.96Å; N393-Q397 PolarHBondContact OD1-NE2 3.38Å; N393-L428 WeakPolarHBondContact OD1-CB 3.32Å; N393-F432 HydrophobicContact CB-CD2 3.79Å; N393-F432 HydrophobicContact CB-CE2 4.18Å; N393-F432 HydrophobicContact CB-CG 4.17Å
394N84.2Confident86.9Confident93 Ų9348 Ų4850%0.49725%0.247SC..Hα-helixtrans-60-43.1178.4-71.3-14000111.9T392 T398T392-N394 VanDerWaalsContact C-N 3.33Å; T392-N394 PolarHBondContact O-N 3.27Å; N394-T398 PolarHBondContact O-N 3.36Å; N394-T398 PolarHBondContact O-OG1 2.96Å
395T87.5Confident85.9Confident77 Ų7748.9 Ų48.947%0.47225%0.253SS..Hα-helixtrans-64.8-45.4174.3-52.30000111.2T392 N393 Q397 T398 V399T392-T395 PolarHBondContact O-N 3.01Å; N393-T395 VanDerWaalsContact C-N 3.32Å; N393-T395 PolarHBondContact O-N 3.05Å; T395-Q397 PolarHBondContact O-N 3.24Å; T395-T398 WeakPolarHBondContact O-CB 3.36Å; T395-T398 PolarHBondContact O-N 2.89Å; T395-V399 HydrophobicContact CG2-CG2 4.44Å; T395-V399 VanDerWaalsContact O-CG2 3.26Å; T395-V399 WeakPolarHBondContact O-CG2 3.34Å; T395-V399 PolarHBondContact O-N 3.24Å
396I90Very high85Confident6 Ų642.8 Ų42.83%0.03123%0.23CC..Hα-helixtrans-59.1-46.1178-71.3163.2000111L351 I388 T392 N393 T398 V399 I400 L428L351-I396 HydrophobicContact CD1-CG1 4.34Å; L351-I396 HydrophobicContact CD1-CG2 3.78Å; I388-I396 HydrophobicContact CB-CD1 4.25Å; I388-I396 HydrophobicContact CG1-CD1 3.88Å; I388-I396 HydrophobicContact CG2-CD1 3.88Å; T392-I396 VanDerWaalsContact O-CG1 3.3Å; T392-I396 WeakPolarHBondContact O-CG1 3.28Å; T392-I396 PolarHBondContact O-N 3.24Å; N393-I396 PolarHBondContact O-N 3.03Å; I396-T398 VanDerWaalsContact C-N 3.33Å; I396-T398 PolarHBondContact O-N 3.35Å; I396-V399 PolarHBondContact O-N 3.32Å; I396-I400 HydrophobicContact CG2-CD1 3.71Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 WeakPolarHBondContact O-CB 3.24Å; I396-I400 VanDerWaalsContact O-CG1 3.27Å; I396-I400 WeakPolarHBondContact O-CG1 3.44Å; I396-I400 PolarHBondContact O-N 3.41Å; I396-L428 HydrophobicContact CG2-CD1 3.72Å
397Q85.3Confident84Confident16 Ų1642.6 Ų42.68%0.07523%0.228CC..Hα-helixtrans-61.2-43.9177.3-67.2-62.1-27.500111.1N393 T395 V399 I400 D401 S425N393-Q397 WeakPolarHBondContact O-CB 3.37Å; N393-Q397 VanDerWaalsContact O-CG 3.23Å; N393-Q397 WeakPolarHBondContact O-CG 3.44Å; N393-Q397 PolarHBondContact O-N 2.96Å; N393-Q397 PolarHBondContact OD1-NE2 3.38Å; T395-Q397 PolarHBondContact O-N 3.24Å; Q397-V399 PolarHBondContact O-N 3.26Å; Q397-I400 PolarHBondContact O-N 3.38Å; Q397-D401 WeakPolarHBondContact O-CB 3.29Å; Q397-D401 PolarHBondContact O-N 3.14Å; Q397-S425 PolarHBondContact NE2-O 3.29Å; Q397-S425 PolarHBondContact OE1-OG 3.32Å
398T84.9Confident82.6Confident70 Ų7042.5 Ų42.543%0.42922%0.221SC..Hα-helixtrans-59.7-46.7176.8-53.60000111.1N394 T395 I396 D401 E402N394-T398 PolarHBondContact O-N 3.36Å; N394-T398 PolarHBondContact O-OG1 2.96Å; T395-T398 WeakPolarHBondContact O-CB 3.36Å; T395-T398 PolarHBondContact O-N 2.89Å; I396-T398 VanDerWaalsContact C-N 3.33Å; I396-T398 PolarHBondContact O-N 3.35Å; T398-D401 PolarHBondContact O-N 3.03Å; T398-E402 HydrophobicContact CG2-CG 4.49Å; T398-E402 WeakPolarHBondContact O-CB 3.11Å; T398-E402 VanDerWaalsContact O-CG 3.28Å; T398-E402 WeakPolarHBondContact O-CG 3.26Å; T398-E402 PolarHBondContact O-N 3.33Å
399V87.7Confident81.2Confident4 Ų443.5 Ų43.52%0.02423%0.228CC..Hα-helixtrans-65.5-40.8178.5176.40000111.3K347 M348 L351 T395 I396 Q397 D401 E402 I403K347-V399 HydrophobicContact CB-CG1 4.37Å; K347-V399 HydrophobicContact CB-CG2 3.67Å; K347-V399 HydrophobicContact CD-CG2 3.67Å; K347-V399 HydrophobicContact CG-CG2 4.22Å; M348-V399 HydrophobicContact CG-CG1 4.31Å; L351-V399 HydrophobicContact CB-CG1 4.4Å; L351-V399 HydrophobicContact CD2-CB 4.45Å; L351-V399 HydrophobicContact CD2-CG1 3.78Å; T395-V399 HydrophobicContact CG2-CG2 4.44Å; T395-V399 VanDerWaalsContact O-CG2 3.26Å; T395-V399 WeakPolarHBondContact O-CG2 3.34Å; T395-V399 PolarHBondContact O-N 3.24Å; I396-V399 PolarHBondContact O-N 3.32Å; Q397-V399 PolarHBondContact O-N 3.26Å; V399-D401 VanDerWaalsContact C-N 3.34Å; V399-E402 PolarHBondContact O-N 3.03Å; V399-I403 HydrophobicContact CG1-CD1 3.89Å; V399-I403 HydrophobicContact CG1-CG1 4.37Å; V399-I403 WeakPolarHBondContact O-CB 3.48Å; V399-I403 VanDerWaalsContact O-CG1 3.24Å; V399-I403 WeakPolarHBondContact O-CG1 3.37Å; V399-I403 PolarHBondContact O-N 3.12Å
400I86.5Confident80.2Confident0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-61.3-45.1174.6-71170.6000110.3L351 I396 Q397 I403 M404 L421 V424L351-I400 HydrophobicContact CD2-CG1 3.89Å; I396-I400 HydrophobicContact CG2-CD1 3.71Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 WeakPolarHBondContact O-CB 3.24Å; I396-I400 VanDerWaalsContact O-CG1 3.27Å; I396-I400 WeakPolarHBondContact O-CG1 3.44Å; I396-I400 PolarHBondContact O-N 3.41Å; Q397-I400 PolarHBondContact O-N 3.38Å; I400-I403 PolarHBondContact O-N 3.11Å; I400-M404 HydrophobicContact CG2-CG 4.16Å; I400-M404 HydrophobicContact CG2-SD 3.64Å; I400-M404 VanDerWaalsContact O-CB 3.25Å; I400-M404 WeakPolarHBondContact O-CB 3.34Å; I400-M404 WeakPolarHBondContact O-CG 3.33Å; I400-M404 PolarHBondContact O-N 2.68Å; I400-L421 HydrophobicContact CB-CD2 4.43Å; I400-L421 HydrophobicContact CB-CG 4.34Å; I400-L421 HydrophobicContact CD1-CD1 4.32Å; I400-L421 HydrophobicContact CG1-CD1 3.88Å; I400-L421 HydrophobicContact CG1-CD2 4.37Å; I400-L421 HydrophobicContact CG1-CG 3.98Å; I400-L421 HydrophobicContact CG2-CD2 3.96Å; I400-L421 HydrophobicContact CG2-CG 3.73Å; I400-V424 HydrophobicContact CD1-CG1 4.35Å
401D78.1Confident79.1Confident84 Ų8445.6 Ų45.645%0.44924%0.236SC..Hα-helixtrans-66-38.9178.7-74.1-26.3000111.8Q397 T398 V399 M404 S405Q397-D401 WeakPolarHBondContact O-CB 3.29Å; Q397-D401 PolarHBondContact O-N 3.14Å; T398-D401 PolarHBondContact O-N 3.03Å; V399-D401 VanDerWaalsContact C-N 3.34Å; D401-M404 PolarHBondContact O-N 3.43Å; D401-S405 WeakPolarHBondContact O-CB 3.35Å; D401-S405 PolarHBondContact O-N 2.99Å
402E80.6Confident78.1Confident49 Ų4938.8 Ų38.823%0.22922%0.215CC..Hα-helixtrans-60.5-51.9172.3-73.8169.3-174.200111L343 T398 V399 M404 S405 F406L343-E402 HydrophobicContact CD2-CB 3.85Å; T398-E402 HydrophobicContact CG2-CG 4.49Å; T398-E402 WeakPolarHBondContact O-CB 3.11Å; T398-E402 VanDerWaalsContact O-CG 3.28Å; T398-E402 WeakPolarHBondContact O-CG 3.26Å; T398-E402 PolarHBondContact O-N 3.33Å; V399-E402 PolarHBondContact O-N 3.03Å; E402-M404 VanDerWaalsContact C-N 3.35Å; E402-M404 PolarHBondContact O-N 3.23Å; E402-S405 WeakPolarHBondContact O-CB 3.44Å; E402-S405 PolarHBondContact O-N 2.72Å; E402-F406 PolarHBondContact O-N 3.41Å
403I83.6Confident76.8Confident0 Ų042.1 Ų42.10%024%0.235CC..Hα-helixtrans-58.9-48.2176.7-70.4168.9000110.1V286 V289 L343 M348 L351 V399 I400 S405 F406 T407 L421V286-I403 HydrophobicContact CG1-CD1 4.4Å; V286-I403 HydrophobicContact CG2-CD1 4.18Å; V289-I403 HydrophobicContact CB-CG2 4.41Å; V289-I403 HydrophobicContact CG1-CG1 4.47Å; V289-I403 HydrophobicContact CG1-CG2 4.24Å; V289-I403 HydrophobicContact CG2-CG2 3.77Å; L343-I403 HydrophobicContact CD2-CG1 4.13Å; M348-I403 HydrophobicContact CG-CD1 3.95Å; M348-I403 HydrophobicContact CG-CG1 4.07Å; M348-I403 HydrophobicContact SD-CD1 4.19Å; M348-I403 HydrophobicContact SD-CG1 3.87Å; L351-I403 HydrophobicContact CD2-CD1 3.9Å; V399-I403 HydrophobicContact CG1-CD1 3.89Å; V399-I403 HydrophobicContact CG1-CG1 4.37Å; V399-I403 WeakPolarHBondContact O-CB 3.48Å; V399-I403 VanDerWaalsContact O-CG1 3.24Å; V399-I403 WeakPolarHBondContact O-CG1 3.37Å; V399-I403 PolarHBondContact O-N 3.12Å; I400-I403 PolarHBondContact O-N 3.11Å; I403-S405 VanDerWaalsContact C-N 3.3Å; I403-S405 PolarHBondContact O-N 2.94Å; I403-F406 PolarHBondContact O-N 3.28Å; I403-T407 WeakPolarHBondContact O-CB 3.42Å; I403-T407 PolarHBondContact O-N 3.5Å; I403-T407 PolarHBondContact O-OG1 2.7Å; I403-T407 VanDerWaalsContact O-OG1 3.07Å; I403-L421 HydrophobicContact CB-CD2 3.99Å; I403-L421 HydrophobicContact CD1-CD2 4.33Å; I403-L421 HydrophobicContact CG2-CD2 3.58Å
404M77.9Confident75.5Confident28 Ų2850.2 Ų50.214%0.13827%0.27CS..Hα-helixtrans-62.3-40.8179.5-75.3-179.565.500110.6I400 D401 E402 N408 L421 H422I400-M404 HydrophobicContact CG2-CG 4.16Å; I400-M404 HydrophobicContact CG2-SD 3.64Å; I400-M404 VanDerWaalsContact O-CB 3.25Å; I400-M404 WeakPolarHBondContact O-CB 3.34Å; I400-M404 WeakPolarHBondContact O-CG 3.33Å; I400-M404 PolarHBondContact O-N 2.68Å; D401-M404 PolarHBondContact O-N 3.43Å; E402-M404 VanDerWaalsContact C-N 3.35Å; E402-M404 PolarHBondContact O-N 3.23Å; M404-N408 WeakPolarHBondContact O-CB 3.33Å; M404-N408 PolarHBondContact O-N 2.98Å; M404-N408 PolarHBondContact O-ND2 3.04Å; M404-N408 PolarHBondContact O-OD1 2.82Å; M404-L421 HydrophobicContact CG-CD2 4.13Å; M404-H422 HydrophobicContact CE-CB 4.21Å
405S70.8Confident74.7Confident75 Ų7545.9 Ų45.952%0.52425%0.246SC..Hα-helixtrans-61.4-44.4175.9-169.30000112.2D401 E402 I403 N408 S409D401-S405 WeakPolarHBondContact O-CB 3.35Å; D401-S405 PolarHBondContact O-N 2.99Å; E402-S405 WeakPolarHBondContact O-CB 3.44Å; E402-S405 PolarHBondContact O-N 2.72Å; I403-S405 VanDerWaalsContact C-N 3.3Å; I403-S405 PolarHBondContact O-N 2.94Å; S405-N408 CarbonylContact O-C 3.59Å; S405-N408 WeakPolarHBondContact O-CB 3.43Å; S405-N408 PolarHBondContact O-N 2.82Å; S405-S409 PolarHBondContact O-N 2.9Å
406F76.2Confident73.5Confident2 Ų246.9 Ų46.91%0.00924%0.242CC..Hα-helixtrans-69-48.9177.2166.3-104.6000113.5V289 V292 V293 A339 I340 L343 E402 I403 N408 S409 T410 I415V289-F406 HydrophobicContact CG1-CD1 3.85Å; V289-F406 HydrophobicContact CG1-CE1 4.01Å; V292-F406 HydrophobicContact CG1-CZ 4.05Å; V293-F406 HydrophobicContact CG2-CE1 4.41Å; A339-F406 HydrophobicContact CB-CD2 4.12Å; I340-F406 HydrophobicContact CD1-CE2 3.88Å; I340-F406 HydrophobicContact CD1-CZ 4.42Å; I340-F406 HydrophobicContact CG1-CD2 3.84Å; I340-F406 HydrophobicContact CG1-CE2 3.23Å; I340-F406 HydrophobicContact CG1-CZ 3.98Å; L343-F406 HydrophobicContact CD1-CB 3.52Å; L343-F406 HydrophobicContact CD1-CD1 3.44Å; L343-F406 VanDerWaalsContact CD1-CD1 3.44Å; L343-F406 HydrophobicContact CD1-CD2 3.98Å; L343-F406 HydrophobicContact CD1-CE1 4.14Å; L343-F406 HydrophobicContact CD1-CG 3.33Å; L343-F406 HydrophobicContact CD2-CB 4.41Å; L343-F406 HydrophobicContact CG-CB 4.16Å; L343-F406 HydrophobicContact CG-CG 4.41Å; E402-F406 PolarHBondContact O-N 3.41Å; I403-F406 PolarHBondContact O-N 3.28Å; F406-N408 PolarHBondContact O-N 3.42Å; F406-N408 VanDerWaalsContact O-N 3.14Å; F406-S409 PolarHBondContact O-N 3.23Å; F406-S409 PolarHBondContact O-OG 2.59Å; F406-T410 WeakPolarHBondContact CE2-OG1 3.1Å; F406-T410 VanDerWaalsContact CZ-OG1 3.29Å; F406-T410 WeakPolarHBondContact CZ-OG1 3.48Å; F406-T410 WeakPolarHBondContact O-CB 3.42Å; F406-T410 PolarHBondContact O-N 2.86Å; F406-T410 PolarHBondContact O-OG1 3.41Å; F406-I415 HydrophobicContact CE1-CD1 4.35Å
407T72.5Confident72.3Confident1 Ų153.7 Ų53.71%0.00627%0.271CS..Hα-helixtrans-56.1-33.5173.9-64.70000110H285 I403 I415 T418H285-T407 WeakPolarHBondContact NE2-CG2 3.4Å; H285-T407 PolarHBondContact NE2-OG1 3.15Å; H285-T407 VanDerWaalsContact NE2-OG1 3.1Å; I403-T407 WeakPolarHBondContact O-CB 3.42Å; I403-T407 PolarHBondContact O-N 3.5Å; I403-T407 PolarHBondContact O-OG1 2.7Å; I403-T407 VanDerWaalsContact O-OG1 3.07Å; T407-I415 HydrophobicContact CG2-CB 4.25Å; T407-I415 HydrophobicContact CG2-CG2 3.83Å; T407-I415 WeakPolarHBondContact CG2-O 3.41Å; T407-I415 WeakPolarHBondContact OG1-CG2 3.4Å; T407-T418 HydrophobicContact CG2-CG2 3.5Å; T407-T418 VanDerWaalsContact CG2-CG2 3.5Å
408N63.5Low71.6Confident29 Ų2953.6 Ų53.616%0.15527%0.272CS..Hα-helixtrans-73.4-32.5175.2-72.3-18.6000112.8Y165 M169 M404 S405 F406Y165-N408 HydrophobicContact CD2-CB 3.63Å; Y165-N408 WeakPolarHBondContact CD2-OD1 3.25Å; Y165-N408 HydrophobicContact CE2-CB 3.19Å; Y165-N408 WeakPolarHBondContact CE2-O 3.34Å; Y165-N408 WeakPolarHBondContact CE2-OD1 3.24Å; Y165-N408 VanDerWaalsContact OH-C 3.28Å; Y165-N408 WeakPolarHBondContact OH-CA 3.43Å; Y165-N408 PolarHBondContact OH-O 3.28Å; M169-N408 WeakPolarHBondContact CE-O 3.39Å; M404-N408 WeakPolarHBondContact O-CB 3.33Å; M404-N408 PolarHBondContact O-N 2.98Å; M404-N408 PolarHBondContact O-ND2 3.04Å; M404-N408 PolarHBondContact O-OD1 2.82Å; S405-N408 CarbonylContact O-C 3.59Å; S405-N408 WeakPolarHBondContact O-CB 3.43Å; S405-N408 PolarHBondContact O-N 2.82Å; F406-N408 PolarHBondContact O-N 3.42Å; F406-N408 VanDerWaalsContact O-N 3.14Å
409S63.4Low71.2Confident22 Ų2253.6 Ų53.615%0.15427%0.266CS..Hα-helixtrans-79-25.6177.559.60000113.8S405 F406S405-S409 PolarHBondContact O-N 2.9Å; F406-S409 PolarHBondContact O-N 3.23Å; F406-S409 PolarHBondContact O-OG 2.59Å
410T66.6Low71.1Confident8 Ų853.4 Ų53.45%0.04926%0.264CS..  trans-78.4142.9-169.4-80.80000115.2F406 N412 I415 R416F406-T410 WeakPolarHBondContact CE2-OG1 3.1Å; F406-T410 VanDerWaalsContact CZ-OG1 3.29Å; F406-T410 WeakPolarHBondContact CZ-OG1 3.48Å; F406-T410 WeakPolarHBondContact O-CB 3.42Å; F406-T410 PolarHBondContact O-N 2.86Å; F406-T410 PolarHBondContact O-OG1 3.41Å; T410-N412 VanDerWaalsContact C-N 3.33Å; T410-N412 HydrophobicContact CG2-CB 3.35Å; T410-I415 HydrophobicContact CG2-CD1 4.23Å; T410-R416 PolarHBondContact O-NH2 3.38Å
411H60.8Low71.2Confident141 Ų14153.4 Ų53.465%0.65326%0.264SS*.  trans-76.5-13.2173.4-71.9-70.8000114.9E336 V413E336-H411 IonicContact OE1-CD2 3.57Å; E336-H411 PolarHBondContact OE1-CD2 3.1Å; E336-H411 IonicContact OE1-CG 3.61Å; E336-H411 PolarHBondContact OE1-N 3.07Å; H411-V413 PolarHBondContact O-N 3.02Å; H411-V413 VanDerWaalsContact O-N 3.14Å
412N64.3Low71.4Confident59 Ų5952.1 Ų52.132%0.31626%0.256SS..  trans-67.4107-178.3-166.3-22.4000112.9T410 K414 I415T410-N412 VanDerWaalsContact C-N 3.33Å; T410-N412 HydrophobicContact CG2-CB 3.35Å; N412-K414 PolarHBondContact O-N 3.38Å; N412-K414 WeakPolarHBondContact OD1-CB 3.42Å; N412-K414 PolarHBondContact OD1-N 3.32Å; N412-I415 HydrophobicContact CB-CD1 4.02Å; N412-I415 HydrophobicContact CB-CG1 4.16Å; N412-I415 PolarHBondContact O-N 2.96Å
413V60.9Low71.7Confident110 Ų11052.4 Ų52.467%0.66726%0.257SS*.THydrogen-bonded Turntrans-61.2-27.9-178.7-178.50000112.6H411 I415 R416H411-V413 PolarHBondContact O-N 3.02Å; H411-V413 VanDerWaalsContact O-N 3.14Å; V413-I415 VanDerWaalsContact C-N 3.26Å; V413-I415 PolarHBondContact O-N 3.26Å; V413-R416 PolarHBondContact O-N 3.42Å
414K61.3Low72.1Confident180 Ų18052.5 Ų52.578%0.78326%0.257SS*.THydrogen-bonded Turntrans-63.7-32.6-178.6-66.3-176.6178.51780112.4N412N412-K414 PolarHBondContact O-N 3.38Å; N412-K414 WeakPolarHBondContact OD1-CB 3.42Å; N412-K414 PolarHBondContact OD1-N 3.32Å
415I67.5Low72.6Confident2 Ų251.3 Ų51.31%0.0125%0.252CS..THydrogen-bonded Turntrans-89.1-16.6-174-41.2175.6000111.9H285 V289 V292 F406 T407 T410 N412 V413 K417H285-I415 PolarHBondContact CD2-O 3.22Å; H285-I415 PolarHBondContact NE2-O 3.41Å; V289-I415 HydrophobicContact CB-CG2 4.44Å; V289-I415 HydrophobicContact CG2-CG2 3.33Å; V292-I415 HydrophobicContact CB-CD1 3.79Å; V292-I415 HydrophobicContact CG1-CD1 3.92Å; V292-I415 HydrophobicContact CG2-CD1 3.48Å; V292-I415 VanDerWaalsContact CG2-CD1 3.48Å; V292-I415 HydrophobicContact CG2-CG1 4.24Å; F406-I415 HydrophobicContact CE1-CD1 4.35Å; T407-I415 HydrophobicContact CG2-CB 4.25Å; T407-I415 HydrophobicContact CG2-CG2 3.83Å; T407-I415 WeakPolarHBondContact CG2-O 3.41Å; T407-I415 WeakPolarHBondContact OG1-CG2 3.4Å; T410-I415 HydrophobicContact CG2-CD1 4.23Å; N412-I415 HydrophobicContact CB-CD1 4.02Å; N412-I415 HydrophobicContact CB-CG1 4.16Å; N412-I415 PolarHBondContact O-N 2.96Å; V413-I415 VanDerWaalsContact C-N 3.26Å; V413-I415 PolarHBondContact O-N 3.26Å; I415-K417 PolarHBondContact O-N 3.16Å
416R61.7Low73.3Confident99 Ų9948.8 Ų48.837%0.37423%0.232SC..  trans-63.6-2.4-169.8-72-176.1176.9-176.2-3116.9T410 V413 T418T410-R416 PolarHBondContact O-NH2 3.38Å; V413-R416 PolarHBondContact O-N 3.42Å; R416-T418 PolarHBondContact O-N 2.82Å; R416-T418 VanDerWaalsContact O-N 3.15Å
417K65.4Low74.1Confident149 Ų14948.9 Ų48.965%0.64823%0.232SC*.  trans-8875.5-179-68.3-178.9-178.5173.20111.2I415 K419I415-K417 PolarHBondContact O-N 3.16Å; K417-K419 VanDerWaalsContact C-N 3.27Å; K417-K419 PolarHBondContact O-N 3.28Å
418T70.3Confident75Confident14 Ų1448.9 Ų48.99%0.08623%0.232CC..  trans-79.9-0.1-179.6560000114.8T407 R416 G420 L421 H422T407-T418 HydrophobicContact CG2-CG2 3.5Å; T407-T418 VanDerWaalsContact CG2-CG2 3.5Å; R416-T418 PolarHBondContact O-N 2.82Å; R416-T418 VanDerWaalsContact O-N 3.15Å; T418-G420 PolarHBondContact O-N 2.92Å; T418-L421 PolarHBondContact O-N 2.97Å; T418-H422 PolarHBondContact O-N 3Å
419K76.7Confident76Confident70 Ų7051.3 Ų51.330%0.30424%0.241SC..Hα-helixtrans-57.1-49.1-170.8-171.3-177.2179.1-174.40112.4L278 K417 L421 H422 E423 Y477L278-K419 HydrophobicContact CD2-CD 4.03Å; L278-K419 HydrophobicContact CD2-CG 4.1Å; K417-K419 VanDerWaalsContact C-N 3.27Å; K417-K419 PolarHBondContact O-N 3.28Å; K419-L421 PolarHBondContact O-N 3.23Å; K419-H422 PolarHBondContact O-N 3.21Å; K419-E423 HydrophobicContact CG-CG 4.39Å; K419-E423 VanDerWaalsContact O-CG 3.23Å; K419-E423 WeakPolarHBondContact O-CG 3.41Å; K419-E423 PolarHBondContact O-N 3.33Å; K419-Y477 PolarHBondContact NZ-OH 2.95Å; K419-Y477 VanDerWaalsContact NZ-OH 3.08Å
420G84.7Confident77.1Confident0 Ų050.9 Ų50.90%024%0.238CC..Hα-helixtrans-59.1-47.4-179.300000112.5L278 A282 T418 H422 E423 V424L278-G420 WeakPolarHBondContact O-CA 3.2Å; A282-G420 VanDerWaalsContact CB-C 3.5Å; T418-G420 PolarHBondContact O-N 2.92Å; G420-H422 PolarHBondContact O-N 3.06Å; G420-E423 PolarHBondContact O-N 3.03Å; G420-V424 WeakPolarHBondContact O-CG2 3.41Å; G420-V424 PolarHBondContact O-N 2.88Å
421L87.6Confident78.1Confident0 Ų050.8 Ų50.80%024%0.237CC..Hα-helixtrans-66.2-37.6-178-16167.2000112.5A282 V286 L351 L355 I400 I403 M404 T418 K419 V424 S425A282-L421 HydrophobicContact CB-CD1 4.3Å; V286-L421 HydrophobicContact CG2-CD1 3.8Å; L351-L421 HydrophobicContact CD2-CD1 4.4Å; L355-L421 HydrophobicContact CD1-CD1 4.49Å; I400-L421 HydrophobicContact CB-CD2 4.43Å; I400-L421 HydrophobicContact CB-CG 4.34Å; I400-L421 HydrophobicContact CD1-CD1 4.32Å; I400-L421 HydrophobicContact CG1-CD1 3.88Å; I400-L421 HydrophobicContact CG1-CD2 4.37Å; I400-L421 HydrophobicContact CG1-CG 3.98Å; I400-L421 HydrophobicContact CG2-CD2 3.96Å; I400-L421 HydrophobicContact CG2-CG 3.73Å; I403-L421 HydrophobicContact CB-CD2 3.99Å; I403-L421 HydrophobicContact CD1-CD2 4.33Å; I403-L421 HydrophobicContact CG2-CD2 3.58Å; M404-L421 HydrophobicContact CG-CD2 4.13Å; T418-L421 PolarHBondContact O-N 2.97Å; K419-L421 PolarHBondContact O-N 3.23Å; L421-V424 PolarHBondContact O-N 2.98Å; L421-S425 PolarHBondContact O-N 3.24Å
422H84Confident79.3Confident57 Ų5744.4 Ų44.426%0.26421%0.208SC..Hα-helixtrans-61.2-47.6172.3178.5-74.2000111.3M404 T418 K419 G420 V424 S425 E426M404-H422 HydrophobicContact CE-CB 4.21Å; T418-H422 PolarHBondContact O-N 3Å; K419-H422 PolarHBondContact O-N 3.21Å; G420-H422 PolarHBondContact O-N 3.06Å; H422-V424 VanDerWaalsContact C-N 3.29Å; H422-V424 PolarHBondContact O-N 3.03Å; H422-S425 WeakPolarHBondContact O-CB 3.37Å; H422-S425 PolarHBondContact O-N 3.3Å; H422-S425 VanDerWaalsContact O-N 3.17Å; H422-E426 VanDerWaalsContact CE1-CG 3.46Å; H422-E426 WeakPolarHBondContact CE1-CG 3.5Å; H422-E426 WeakPolarHBondContact O-CG 3.47Å; H422-E426 PolarHBondContact O-N 3.05Å
423E86.7Confident79.5Confident54 Ų5444.4 Ų44.425%0.25222%0.221SC..Hα-helixtrans-63.4-35.6179.5-63.7-75175.400111.9L274 L278 K419 G420 F427L274-E423 HydrophobicContact CD1-CB 4.44Å; L278-E423 HydrophobicContact CD1-CB 4.17Å; L278-E423 HydrophobicContact CD1-CG 3.87Å; L278-E423 HydrophobicContact CD2-CG 4.22Å; K419-E423 HydrophobicContact CG-CG 4.39Å; K419-E423 VanDerWaalsContact O-CG 3.23Å; K419-E423 WeakPolarHBondContact O-CG 3.41Å; K419-E423 PolarHBondContact O-N 3.33Å; G420-E423 PolarHBondContact O-N 3.03Å; E423-F427 VanDerWaalsContact O-CB 3.29Å; E423-F427 WeakPolarHBondContact O-CB 3.39Å; E423-F427 PolarHBondContact O-N 3.48Å
424V92Very high79.4Confident2 Ų242.8 Ų42.81%0.01220%0.204CC..Hα-helixtrans-64.5-47.2171.3171.60000111.3L274 L279 A282 L355 I400 G420 L421 H422 E426 F427 L428L274-V424 HydrophobicContact CD1-CG2 4.06Å; L279-V424 HydrophobicContact CD1-CG2 4.12Å; A282-V424 HydrophobicContact CB-CG2 3.8Å; L355-V424 HydrophobicContact CD2-CG1 3.8Å; I400-V424 HydrophobicContact CD1-CG1 4.35Å; G420-V424 WeakPolarHBondContact O-CG2 3.41Å; G420-V424 PolarHBondContact O-N 2.88Å; L421-V424 PolarHBondContact O-N 2.98Å; H422-V424 VanDerWaalsContact C-N 3.29Å; H422-V424 PolarHBondContact O-N 3.03Å; V424-E426 VanDerWaalsContact C-N 3.31Å; V424-E426 PolarHBondContact O-N 3.08Å; V424-F427 WeakPolarHBondContact O-CB 3.29Å; V424-F427 PolarHBondContact O-N 2.97Å; V424-L428 HydrophobicContact CG1-CD1 4.02Å; V424-L428 HydrophobicContact CG1-CG 4.38Å; V424-L428 VanDerWaalsContact O-CG 3.3Å; V424-L428 WeakPolarHBondContact O-CG 3.49Å; V424-L428 PolarHBondContact O-N 2.85Å
425S88.9Confident78.8Confident3 Ų336.7 Ų36.72%0.02118%0.179CC..Hα-helixtrans-56.1-47176.2172.70000111.5Q397 L421 H422 L428 K429Q397-S425 PolarHBondContact NE2-O 3.29Å; Q397-S425 PolarHBondContact OE1-OG 3.32Å; L421-S425 PolarHBondContact O-N 3.24Å; H422-S425 WeakPolarHBondContact O-CB 3.37Å; H422-S425 PolarHBondContact O-N 3.3Å; H422-S425 VanDerWaalsContact O-N 3.17Å; S425-L428 PolarHBondContact O-N 3.46Å; S425-K429 WeakPolarHBondContact O-CB 3.1Å; S425-K429 WeakPolarHBondContact O-CG 3.23Å; S425-K429 PolarHBondContact O-N 3.05Å; S425-K429 WeakPolarHBondContact OG-CE 3.22Å; S425-K429 PolarHBondContact OG-NZ 3.48Å
426E84.7Confident77.1Confident23 Ų2340.7 Ų40.711%0.10721%0.205CC..Hα-helixtrans-66.1-38.7179.8-69.3-52.8134.200112.9R240 H422 V424 K429 T430R240-E426 WeakPolarHBondContact CD-OE2 3.26Å; R240-E426 WeakPolarHBondContact CG-OE2 3.29Å; H422-E426 VanDerWaalsContact CE1-CG 3.46Å; H422-E426 WeakPolarHBondContact CE1-CG 3.5Å; H422-E426 WeakPolarHBondContact O-CG 3.47Å; H422-E426 PolarHBondContact O-N 3.05Å; V424-E426 VanDerWaalsContact C-N 3.31Å; V424-E426 PolarHBondContact O-N 3.08Å; E426-K429 IonicContact OE1-NZ 3.62Å; E426-T430 WeakPolarHBondContact O-CB 3.34Å; E426-T430 PolarHBondContact O-N 2.89Å; E426-T430 PolarHBondContact O-OG1 3Å
427F91.9Very high75.8Confident4 Ų439 Ų392%0.01822%0.218CC..Hα-helixtrans-58.6-51.8172.6-175.6-94.5000111.1V272 L274 I379 L383 E423 V424 T430 V431 I497V272-F427 HydrophobicContact CB-CD2 4.44Å; V272-F427 HydrophobicContact CG1-CD2 3.61Å; V272-F427 HydrophobicContact CG1-CE2 4.05Å; V272-F427 HydrophobicContact CG1-CG 4.34Å; V272-F427 HydrophobicContact CG2-CB 4.21Å; V272-F427 HydrophobicContact CG2-CD2 4.1Å; L274-F427 HydrophobicContact CB-CB 4.47Å; L274-F427 HydrophobicContact CB-CD2 3.63Å; L274-F427 HydrophobicContact CB-CE2 3.99Å; L274-F427 HydrophobicContact CB-CG 4.05Å; L274-F427 HydrophobicContact CD2-CD1 4.3Å; L274-F427 HydrophobicContact CD2-CG 4.27Å; I379-F427 HydrophobicContact CD1-CE1 4.06Å; I379-F427 HydrophobicContact CD1-CZ 3.76Å; I379-F427 HydrophobicContact CG1-CE1 4.46Å; I379-F427 HydrophobicContact CG1-CZ 4.27Å; L383-F427 HydrophobicContact CD2-CE1 4.44Å; E423-F427 VanDerWaalsContact O-CB 3.29Å; E423-F427 WeakPolarHBondContact O-CB 3.39Å; E423-F427 PolarHBondContact O-N 3.48Å; V424-F427 WeakPolarHBondContact O-CB 3.29Å; V424-F427 PolarHBondContact O-N 2.97Å; F427-T430 PolarHBondContact O-N 3.19Å; F427-V431 HydrophobicContact CD1-CG2 4.31Å; F427-V431 HydrophobicContact CE1-CG2 4Å; F427-V431 HydrophobicContact CZ-CG2 4.19Å; F427-V431 WeakPolarHBondContact O-CG2 3.25Å; F427-V431 PolarHBondContact O-N 3.33Å; F427-I497 HydrophobicContact CE2-CG2 4.44Å; F427-I497 HydrophobicContact CZ-CG2 4.29Å
428L91.7Very high74.1Confident1 Ų140.9 Ų40.91%0.00523%0.23CC..Hα-helixtrans-67.3-39.2-178.8-64179.1000112.6L383 I388 N393 I396 V424 S425 T430 V431 F432L383-L428 HydrophobicContact CD1-CD2 4.11Å; L383-L428 HydrophobicContact CD2-CD2 3.99Å; I388-L428 HydrophobicContact CG2-CD1 4.4Å; I388-L428 HydrophobicContact CG2-CD2 3.78Å; N393-L428 WeakPolarHBondContact OD1-CB 3.32Å; I396-L428 HydrophobicContact CG2-CD1 3.72Å; V424-L428 HydrophobicContact CG1-CD1 4.02Å; V424-L428 HydrophobicContact CG1-CG 4.38Å; V424-L428 VanDerWaalsContact O-CG 3.3Å; V424-L428 WeakPolarHBondContact O-CG 3.49Å; V424-L428 PolarHBondContact O-N 2.85Å; S425-L428 PolarHBondContact O-N 3.46Å; L428-T430 VanDerWaalsContact C-N 3.3Å; L428-T430 PolarHBondContact O-N 3.33Å; L428-V431 PolarHBondContact O-N 3.13Å; L428-F432 HydrophobicContact CB-CD2 4.38Å; L428-F432 HydrophobicContact CD2-CD2 4.46Å; L428-F432 HydrophobicContact CD2-CE2 4.01Å; L428-F432 WeakPolarHBondContact O-CB 3.33Å; L428-F432 WeakPolarHBondContact O-CD2 3.4Å; L428-F432 PolarHBondContact O-N 3.12Å
429K85Confident72.2Confident79 Ų7944.1 Ų44.134%0.34326%0.258SS..Hα-helixtrans-60.3-39.2173.8-79.3171177.9149.50111.9S425 E426 G433S425-K429 WeakPolarHBondContact O-CB 3.1Å; S425-K429 WeakPolarHBondContact O-CG 3.23Å; S425-K429 PolarHBondContact O-N 3.05Å; S425-K429 WeakPolarHBondContact OG-CE 3.22Å; S425-K429 PolarHBondContact OG-NZ 3.48Å; E426-K429 IonicContact OE1-NZ 3.62Å; K429-G433 WeakPolarHBondContact O-CA 3.3Å; K429-G433 PolarHBondContact O-N 2.86Å
430T85.8Confident69.7Low13 Ų1348.8 Ų48.88%0.0829%0.286CS..Hα-helixtrans-70.6-42.1177.9-53.30000111.4V272 E426 F427 L428V272-T430 HydrophobicContact CB-CG2 4.03Å; V272-T430 HydrophobicContact CG1-CG2 3.77Å; E426-T430 WeakPolarHBondContact O-CB 3.34Å; E426-T430 PolarHBondContact O-N 2.89Å; E426-T430 PolarHBondContact O-OG1 3Å; F427-T430 PolarHBondContact O-N 3.19Å; L428-T430 VanDerWaalsContact C-N 3.3Å; L428-T430 PolarHBondContact O-N 3.33Å
431V88.9Confident67.2Low6 Ų653.3 Ų53.34%0.03631%0.314CS..Hα-helixtrans-68.5-43.3-179.8173.10000112.2I379 F380 L383 F427 L428 Y499I379-V431 HydrophobicContact CG1-CG1 4.12Å; I379-V431 HydrophobicContact CG1-CG2 4.07Å; I379-V431 HydrophobicContact CG2-CG1 3.86Å; F380-V431 HydrophobicContact CD1-CG1 4.12Å; F380-V431 HydrophobicContact CE1-CG1 3.62Å; F380-V431 HydrophobicContact CZ-CG1 4.2Å; L383-V431 HydrophobicContact CD1-CB 4.44Å; L383-V431 HydrophobicContact CD1-CG1 3.76Å; F427-V431 HydrophobicContact CD1-CG2 4.31Å; F427-V431 HydrophobicContact CE1-CG2 4Å; F427-V431 HydrophobicContact CZ-CG2 4.19Å; F427-V431 WeakPolarHBondContact O-CG2 3.25Å; F427-V431 PolarHBondContact O-N 3.33Å; L428-V431 PolarHBondContact O-N 3.13Å; V431-Y499 HydrophobicContact CG2-CD1 4.01Å; V431-Y499 HydrophobicContact CG2-CE1 4.32Å; V431-Y499 HydrophobicContact CG2-CG 4.4Å
432F85.7Confident64.1Low8 Ų859.9 Ų59.94%0.03535%0.354CS..Hα-helixtrans-99.1-17.7-175-66.2-68.7000114.9F380 L383 I388 H390 N393 L428 Y434 L435F380-F432 HydrophobicContact CD1-CD1 4.37Å; F380-F432 AromaticContact CD1-CE1 3.87Å; F380-F432 HydrophobicContact CD1-CE1 3.87Å; F380-F432 HydrophobicContact CE1-CD1 4.13Å; F380-F432 HydrophobicContact CE1-CE1 4.1Å; L383-F432 HydrophobicContact CB-CZ 4.37Å; L383-F432 HydrophobicContact CD1-CE2 3.75Å; L383-F432 HydrophobicContact CD1-CZ 3.78Å; I388-F432 HydrophobicContact CG2-CE2 3.8Å; I388-F432 HydrophobicContact CG2-CZ 4.16Å; H390-F432 HydrophobicContact CB-CD1 4.23Å; N393-F432 HydrophobicContact CB-CD2 3.79Å; N393-F432 HydrophobicContact CB-CE2 4.18Å; N393-F432 HydrophobicContact CB-CG 4.17Å; L428-F432 HydrophobicContact CB-CD2 4.38Å; L428-F432 HydrophobicContact CD2-CD2 4.46Å; L428-F432 HydrophobicContact CD2-CE2 4.01Å; L428-F432 WeakPolarHBondContact O-CB 3.33Å; L428-F432 WeakPolarHBondContact O-CD2 3.4Å; L428-F432 PolarHBondContact O-N 3.12Å; F432-Y434 PolarHBondContact O-N 3.4Å; F432-L435 HydrophobicContact CD1-CD1 3.76Å; F432-L435 PolarHBondContact O-N 3.4Å; F432-L435 VanDerWaalsContact O-N 3.17Å
433G69.3Low61.5Low58 Ų5864 Ų6460%0.59837%0.372SS*.THydrogen-bonded Turntrans-66.40.2-170.700000116.4K429K429-G433 WeakPolarHBondContact O-CA 3.3Å; K429-G433 PolarHBondContact O-N 2.86Å
434Y58.5Low58.5Low76 Ų7669.1 Ų69.130%0.29840%0.4SS..THydrogen-bonded Turntrans-117.95.4-179.5-62.9-85.8000113.9F432 Q510F432-Y434 PolarHBondContact O-N 3.4Å; Y434-Q510 VanDerWaalsContact CE1-CD 3.49Å; Y434-Q510 HydrophobicContact CE1-CG 3.94Å; Y434-Q510 PolarHBondContact OH-NE2 2.91Å; Y434-Q510 PolarHBondContact OH-OE1 2.91Å
435L48Very low55.5Low52 Ų5277.2 Ų77.227%0.27244%0.436SS..SBendtrans-77.8124173.5-74.4159.8000109.1F380 H390 F432 G437F380-L435 HydrophobicContact CE1-CD1 4.29Å; H390-L435 HydrophobicContact CB-CD1 4Å; H390-L435 VanDerWaalsContact CD2-CB 3.5Å; H390-L435 WeakPolarHBondContact CD2-CB 3.48Å; H390-L435 VanDerWaalsContact CD2-CD1 3.44Å; H390-L435 WeakPolarHBondContact CD2-CD1 3.38Å; F432-L435 HydrophobicContact CD1-CD1 3.76Å; F432-L435 PolarHBondContact O-N 3.4Å; F432-L435 VanDerWaalsContact O-N 3.17Å; L435-G437 PolarHBondContact O-N 2.91Å; L435-G437 VanDerWaalsContact O-N 3.11Å
436P32.4Very low52.6Low86 Ų8687.4 Ų87.456%0.55848%0.48SS*.  trans-76.4102.6-176.929.2-26.8000109.9H453P436-H453 VanDerWaalsContact CD-CD2 3.42Å; P436-H453 WeakPolarHBondContact CD-CD2 3.23Å; P436-H453 WeakPolarHBondContact CD-NE2 3.38Å; P436-H453 WeakPolarHBondContact CG-CD2 3.5Å; P436-H453 VanDerWaalsContact CG-NE2 3.26Å; P436-H453 WeakPolarHBondContact CG-NE2 3.5Å
437G33.4Very low50.3Low63 Ų6390.4 Ų90.465%0.64950%0.5SS*.SBendtrans-123.6-14.6162.700000113.8L435L435-G437 PolarHBondContact O-N 2.91Å; L435-G437 VanDerWaalsContact O-N 3.11Å
438E30.6Very low47.5Very low190 Ų19097.3 Ų97.389%0.88854%0.537SS*.SBendtrans-127.511.7-171-67.7-170.3165.100115.4
439A29.2Very low45.1Very low82 Ų8299.6 Ų99.668%0.67855%0.547SS*.  trans-116.668179.400000113.1V441A439-V441 PolarHBondContact O-N 2.8Å
440N25.4Very low42.6Very low168 Ų168104.3 Ų104.390%0.89857%0.567SS**  trans-74.759159.3-87.8-22.8000110.6
441V30.7Very low40.5Very low95 Ų95106 Ų10658%0.57658%0.576SS**  trans-128.793.9169.3-156.40000111.4A439 F443A439-V441 PolarHBondContact O-N 2.8Å; V441-F443 HydrophobicContact CB-CD2 3.99Å; V441-F443 HydrophobicContact CB-CE2 3.95Å; V441-F443 HydrophobicContact CG1-CD2 3.36Å; V441-F443 HydrophobicContact CG1-CE1 4.47Å; V441-F443 HydrophobicContact CG1-CE2 3.13Å; V441-F443 HydrophobicContact CG1-CG 4.16Å; V441-F443 HydrophobicContact CG1-CZ 3.74Å; V441-F443 PolarHBondContact O-N 2.81Å
442T23.6Very low38.1Very low137 Ų137112.2 Ų112.284%0.8460%0.604SS**  trans-65.787.5166.7-25.70000109N444T442-N444 PolarHBondContact O-N 3.19Å
443F28.9Very low35.8Very low145 Ų145116.5 Ų116.564%0.63662%0.624SS**  trans-87.8108.6172.8-87.8-69.9000111.5V441 F445V441-F443 HydrophobicContact CB-CD2 3.99Å; V441-F443 HydrophobicContact CB-CE2 3.95Å; V441-F443 HydrophobicContact CG1-CD2 3.36Å; V441-F443 HydrophobicContact CG1-CE1 4.47Å; V441-F443 HydrophobicContact CG1-CE2 3.13Å; V441-F443 HydrophobicContact CG1-CG 4.16Å; V441-F443 HydrophobicContact CG1-CZ 3.74Å; V441-F443 PolarHBondContact O-N 2.81Å; F443-F445 PolarHBondContact O-N 3.39Å; F443-F445 VanDerWaalsContact O-N 3.09Å
444N23.4Very low34.4Very low160 Ų160120 Ų12086%0.85663%0.629SS**  trans-71.487.1166.1-84.8-30000110.3T442T442-N444 PolarHBondContact O-N 3.19Å
445F30.1Very low34.2Very low172 Ų172119.1 Ų119.175%0.75463%0.63SS**  trans-122.5132.2153.3-115.4-92.9000108.3F443 T447F443-F445 PolarHBondContact O-N 3.39Å; F443-F445 VanDerWaalsContact O-N 3.09Å; F445-T447 PolarHBondContact O-N 2.97Å
446K28.2Very low35.2Very low217 Ų217117.8 Ų117.894%0.94363%0.625SS**  trans-67.337.5179.8-76.2-179.6172.6176.80113.6
447T35.5Very low37.4Very low86 Ų86115.7 Ų115.753%0.52861%0.608SS.*  trans-100.9122.4169.8520000108.1F445 F449F445-T447 PolarHBondContact O-N 2.97Å; T447-F449 PolarHBondContact O-N 3.46Å
448N33.6Very low39.9Very low150 Ų150113.7 Ų113.780%0.80258%0.584SS**  trans-65.746-177.9-75.8-23.5000114.3K450N448-K450 VanDerWaalsContact C-N 3.25Å; N448-K450 PolarHBondContact O-N 3.44Å
449F40.5Very low42.7Very low49 Ų49104.7 Ų104.722%0.21554%0.543CS..  trans-8172.7171.6-107.7-84000109.5T447 Q509 I512 N537T447-F449 PolarHBondContact O-N 3.46Å; F449-Q509 HydrophobicContact CD1-CB 4.3Å; F449-Q509 HydrophobicContact CD1-CG 3.9Å; F449-Q509 HydrophobicContact CE1-CB 3.75Å; F449-Q509 HydrophobicContact CE1-CG 3.88Å; F449-Q509 HydrophobicContact CZ-CB 4.42Å; F449-I512 HydrophobicContact CE2-CD1 3.94Å; F449-I512 HydrophobicContact CZ-CD1 4.32Å; F449-N537 HydrophobicContact CE1-CB 4.38Å; F449-N537 WeakPolarHBondContact CE1-ND2 3.48Å; F449-N537 WeakPolarHBondContact CE2-O 3.28Å; F449-N537 HydrophobicContact CZ-CB 4.05Å; F449-N537 WeakPolarHBondContact CZ-O 3.48Å
450K32.8Very low45.8Very low177 Ų177101.2 Ų101.277%0.7751%0.512SS*.  trans-96.989.4165-81-175.4177.31790108.3N448N448-K450 VanDerWaalsContact C-N 3.25Å; N448-K450 PolarHBondContact O-N 3.44Å
451L41.3Very low49.1Very low50 Ų5094.1 Ų94.126%0.26247%0.473SS..  trans-103.2100.1154.1-75.7162.3000105.4D455L451-D455 HydrophobicContact CB-CB 4.22Å; L451-D455 HydrophobicContact CD2-CB 3.48Å; L451-D455 VanDerWaalsContact CD2-CB 3.48Å; L451-D455 HydrophobicContact CG-CB 4.46Å
452Q38.1Very low52.2Low136 Ų13689.6 Ų89.664%0.63645%0.445SS*.  trans-66.6157.8172.7-71.9-178.2-10.700108.8N454 D455Q452-N454 PolarHBondContact O-N 3.41Å; Q452-D455 PolarHBondContact N-OD2 3.03Å; Q452-D455 WeakPolarHBondContact O-CA 3.46Å; Q452-D455 VanDerWaalsContact O-CB 3.28Å; Q452-D455 WeakPolarHBondContact O-CB 3.44Å; Q452-D455 PolarHBondContact O-N 3.46Å
453H37.4Very low55.6Low98 Ų9883.4 Ų83.445%0.45441%0.407SS..Hα-helixtrans-47.8-32.8-173.5-164.7-59.9000115.1P436P436-H453 VanDerWaalsContact CD-CD2 3.42Å; P436-H453 WeakPolarHBondContact CD-CD2 3.23Å; P436-H453 WeakPolarHBondContact CD-NE2 3.38Å; P436-H453 WeakPolarHBondContact CG-CD2 3.5Å; P436-H453 VanDerWaalsContact CG-NE2 3.26Å; P436-H453 WeakPolarHBondContact CG-NE2 3.5Å
454N40.1Very low58.8Low130 Ų13076.5 Ų76.570%0.69538%0.377SS*.Hα-helixtrans-77.2-22.9176.5-75.2-12.1000113.8Q452 S456Q452-N454 PolarHBondContact O-N 3.41Å; N454-S456 PolarHBondContact O-N 3.31Å
455D55.1Low62.1Low59 Ų5972.5 Ų72.532%0.31635%0.352SS..Hα-helixtrans-71.4-23.2179.3-58.7-34.2000111.4L451 Q452 S458 C459 R506L451-D455 HydrophobicContact CB-CB 4.22Å; L451-D455 HydrophobicContact CD2-CB 3.48Å; L451-D455 VanDerWaalsContact CD2-CB 3.48Å; L451-D455 HydrophobicContact CG-CB 4.46Å; Q452-D455 PolarHBondContact N-OD2 3.03Å; Q452-D455 WeakPolarHBondContact O-CA 3.46Å; Q452-D455 VanDerWaalsContact O-CB 3.28Å; Q452-D455 WeakPolarHBondContact O-CB 3.44Å; Q452-D455 PolarHBondContact O-N 3.46Å; D455-S458 PolarHBondContact O-OG 2.97Å; D455-C459 PolarHBondContact O-SG 3.45Å; D455-C459 VanDerWaalsContact O-SG 3.37Å; D455-R506 PolarHBondContact O-NH2 2.86Å; D455-R506 VanDerWaalsContact O-NH2 3.07Å
456S68.2Low65Low24 Ų2466.8 Ų66.817%0.16833%0.329CS..Hα-helixtrans-63.7-51.6178.1-53.60000114.2N454 S458 C459 Y460 R506N454-S456 PolarHBondContact O-N 3.31Å; S456-S458 PolarHBondContact O-N 3.15Å; S456-C459 WeakPolarHBondContact O-CB 3.47Å; S456-C459 PolarHBondContact O-N 3.35Å; S456-Y460 VanDerWaalsContact O-CD2 3.24Å; S456-Y460 WeakPolarHBondContact O-CD2 3.33Å; S456-R506 VanDerWaalsContact N-NH2 3.14Å; S456-R506 PolarHBondContact OG-NH1 2.94Å; S456-R506 PolarHBondContact OG-NH2 3.21Å
457I80.3Confident67.4Low41 Ų4159.6 Ų59.621%0.2130%0.301CS..Hα-helixtrans-68.7-32.1-177.8-60.1170.7000110.1F380 C459 Y460F380-I457 HydrophobicContact CE2-CD1 3.95Å; F380-I457 HydrophobicContact CE2-CG1 4.15Å; I457-C459 PolarHBondContact O-N 3.21Å; I457-C459 VanDerWaalsContact O-N 3.11Å; I457-Y460 PolarHBondContact O-N 2.97Å
458S84.2Confident68.8Low21 Ų2161.8 Ų61.815%0.14731%0.308CS..Hα-helixtrans-61.8-21.8179.585.70000114.1D455 S456 Y460 R461 Y706D455-S458 PolarHBondContact O-OG 2.97Å; S456-S458 PolarHBondContact O-N 3.15Å; S458-Y460 PolarHBondContact O-N 2.81Å; S458-R461 PolarHBondContact O-NH1 3.22Å; S458-Y706 WeakPolarHBondContact O-CE2 3.45Å
459C90.2Very high69.8Low2 Ų257.3 Ų57.31%0.01428%0.284CS..THydrogen-bonded Turntrans-72.6-15.6174.6-62.70000113.4D455 S456 I457 F502 S503 R506D455-C459 PolarHBondContact O-SG 3.45Å; D455-C459 VanDerWaalsContact O-SG 3.37Å; S456-C459 WeakPolarHBondContact O-CB 3.47Å; S456-C459 PolarHBondContact O-N 3.35Å; I457-C459 PolarHBondContact O-N 3.21Å; I457-C459 VanDerWaalsContact O-N 3.11Å; C459-F502 PolarHBondContact O-N 3.46Å; C459-S503 WeakPolarHBondContact SG-CB 3.12Å; C459-R506 HydrophobicContact CB-CG 4.43Å; C459-R506 PolarHBondContact SG-NE 3.13Å
460Y93.5Very high69.6Low9 Ų958.2 Ų58.24%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-106.6150-172.7-67.3-91.9000112.9S270 G376 S456 I457 S458 Y499 W500 C501S270-Y460 WeakPolarHBondContact O-CE1 3.24Å; G376-Y460 PolarHBondContact N-O 3.37Å; S456-Y460 VanDerWaalsContact O-CD2 3.24Å; S456-Y460 WeakPolarHBondContact O-CD2 3.33Å; I457-Y460 PolarHBondContact O-N 2.97Å; S458-Y460 PolarHBondContact O-N 2.81Å; Y460-Y499 VanDerWaalsContact CB-CZ 3.45Å; Y460-Y499 AromaticContact CD1-CD1 3.5Å; Y460-Y499 HydrophobicContact CD1-CD1 3.5Å; Y460-Y499 HydrophobicContact CD1-CD2 4.44Å; Y460-Y499 AromaticContact CD1-CE1 3.18Å; Y460-Y499 HydrophobicContact CD1-CE1 3.18Å; Y460-Y499 HydrophobicContact CD1-CE2 4.19Å; Y460-Y499 HydrophobicContact CD1-CG 4.14Å; Y460-Y499 AromaticContact CD1-CZ 3.58Å; Y460-Y499 HydrophobicContact CD2-CE1 4.17Å; Y460-Y499 AromaticContact CE1-CD1 3.81Å; Y460-Y499 HydrophobicContact CE1-CD1 3.81Å; Y460-Y499 AromaticContact CE1-CE1 3.51Å; Y460-Y499 HydrophobicContact CE1-CE1 3.51Å; Y460-Y499 HydrophobicContact CE2-CE1 4.46Å; Y460-Y499 HydrophobicContact CG-CD1 4.26Å; Y460-Y499 AromaticContact CG-CE1 3.55Å; Y460-Y499 HydrophobicContact CG-CE1 3.55Å; Y460-Y499 HydrophobicContact CG-CE2 4.08Å; Y460-Y499 AromaticContact CG-CZ 3.44Å; Y460-Y499 VanDerWaalsContact CG-CZ 3.44Å; Y460-W500 CarbonylContact C-O 3.58Å; Y460-W500 WeakPolarHBondContact CA-O 3.5Å; Y460-C501 HydrophobicContact CD1-CB 3.89Å; Y460-C501 HydrophobicContact CE1-CB 3.53Å
461R95.3Very high69.5Low19 Ų1953.8 Ų53.87%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-131.2142.8164.6-63.2-66.4-178.6-85.6-0109.5T373 S458 W500 F502 L702 E709T373-R461 HydrophobicContact CG2-CB 4.44Å; S458-R461 PolarHBondContact O-NH1 3.22Å; R461-W500 PolarHBondContact N-O 3.49Å; R461-W500 PolarHBondContact O-N 3.04Å; R461-F502 HydrophobicContact CB-CD2 4.43Å; R461-F502 HydrophobicContact CB-CE2 3.88Å; R461-F502 HydrophobicContact CG-CD2 4Å; R461-F502 HydrophobicContact CG-CE2 3.77Å; R461-L702 HydrophobicContact CB-CD1 4.43Å; R461-E709 IonicContact CZ-OE1 3.87Å; R461-E709 IonicContact CZ-OE2 3.73Å; R461-E709 IonicContact NH2-OE1 3.04Å; R461-E709 PolarHBondContact NH2-OE1 3.42Å; R461-E709 IonicContact NH2-OE2 3.28Å; R461-E709 PolarHBondContact NH2-OE2 3.2Å
462L95Very high69.1Low0 Ų058.4 Ų58.40%032%0.317CS..EExtended strand (participates in β ladder)trans-96.1121.1170.4-169.175.5000108.6T373 K374 F378 I379 I464 I497 S498 Y499T373-L462 CarbonylContact C-O 3.58Å; T373-L462 VanDerWaalsContact CA-O 3.31Å; T373-L462 WeakPolarHBondContact CA-O 3.44Å; K374-L462 HydrophobicContact CB-CB 4.36Å; K374-L462 PolarHBondContact N-O 2.92Å; K374-L462 PolarHBondContact O-N 3.36Å; F378-L462 HydrophobicContact CD1-CD2 3.57Å; F378-L462 HydrophobicContact CE1-CD2 4.18Å; I379-L462 HydrophobicContact CB-CD1 4.4Å; I379-L462 HydrophobicContact CD1-CD1 3.97Å; I379-L462 HydrophobicContact CD1-CD2 4.38Å; I379-L462 HydrophobicContact CG1-CD1 4.41Å; L462-I464 HydrophobicContact CD2-CD1 4.18Å; L462-I464 HydrophobicContact CD2-CG1 4.47Å; L462-I464 HydrophobicContact CG-CG1 4.41Å; L462-I497 HydrophobicContact CD1-CG2 3.49Å; L462-I497 VanDerWaalsContact CD1-CG2 3.49Å; L462-I497 HydrophobicContact CG-CG2 4.2Å; L462-S498 CarbonylContact C-O 3.55Å; L462-S498 WeakPolarHBondContact CA-O 3.29Å; L462-Y499 HydrophobicContact CD1-CD2 4.06Å
463H96.2Very high68.8Low6 Ų656.4 Ų56.43%0.02831%0.311CS..EExtended strand (participates in β ladder)trans-122.4128.2176.6-175.571.4000110.3L372 T373 S498 W500 P698 L702L372-H463 WeakPolarHBondContact O-CA 3.32Å; T373-H463 PolarHBondContact OG1-ND1 3.49Å; H463-S498 PolarHBondContact N-O 3.28Å; H463-S498 PolarHBondContact O-N 3.35Å; H463-W500 HydrophobicContact CB-CE3 3.95Å; H463-W500 HydrophobicContact CB-CH2 4.01Å; H463-W500 HydrophobicContact CB-CZ3 3.58Å; H463-W500 AromaticContact CD2-CH2 3.48Å; H463-W500 VanDerWaalsContact CD2-CH2 3.48Å; H463-W500 WeakPolarHBondContact CD2-CH2 3.3Å; H463-W500 AromaticContact CD2-CZ3 3.75Å; H463-W500 AromaticContact CG-CH2 3.93Å; H463-W500 AromaticContact CG-CZ3 3.73Å; H463-P698 WeakPolarHBondContact NE2-CB 3.41Å; H463-L702 HydrophobicContact CB-CD1 4.41Å
464I95.1Very high68.5Low1 Ų154.8 Ų54.81%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-120128.6-175.5-52.5174.8000108.8L365 V367 G371 L372 L462 R495 T496 I497L365-I464 HydrophobicContact CD1-CD1 3.37Å; V367-I464 HydrophobicContact CG2-CB 4.37Å; V367-I464 HydrophobicContact CG2-CG2 3.69Å; G371-I464 CarbonylContact C-O 3.53Å; G371-I464 WeakPolarHBondContact CA-O 3.42Å; L372-I464 HydrophobicContact CB-CB 4.36Å; L372-I464 HydrophobicContact CD2-CD1 4.48Å; L372-I464 PolarHBondContact N-O 2.68Å; L372-I464 PolarHBondContact O-N 3.37Å; L462-I464 HydrophobicContact CD2-CD1 4.18Å; L462-I464 HydrophobicContact CD2-CG1 4.47Å; L462-I464 HydrophobicContact CG-CG1 4.41Å; I464-R495 HydrophobicContact CG2-CG 3.81Å; I464-T496 CarbonylContact C-O 3.57Å; I464-T496 VanDerWaalsContact CA-O 3.23Å; I464-T496 WeakPolarHBondContact CA-O 3.15Å; I464-I497 HydrophobicContact CG1-CG1 4.2Å; I464-I497 HydrophobicContact CG1-CG2 4.4Å; I464-I497 HydrophobicContact CG2-CG1 4.27Å
465K92.8Very high67.9Low76 Ų7656.1 Ų56.133%0.3332%0.317SS..EExtended strand (participates in β ladder)trans-141.6138-177.5-172.7177.9177.5-176.80112D467 T496K465-D467 WeakPolarHBondContact CE-OD1 3.41Å; K465-D467 IonicContact NZ-OD1 3.53Å; K465-T496 PolarHBondContact N-O 2.69Å; K465-T496 PolarHBondContact O-N 2.87Å; K465-T496 PolarHBondContact O-OG1 2.63Å
466D90.8Very high66.9Low52 Ų5261.2 Ų61.228%0.27834%0.336SS..EExtended strand (participates in β ladder)trans-92.1109.1172.4-70.1-18.7000109.8R495D466-R495 VanDerWaalsContact OD1-CB 3.24Å; D466-R495 WeakPolarHBondContact OD1-CB 3.29Å; D466-R495 VanDerWaalsContact OD1-CG 3.27Å; D466-R495 WeakPolarHBondContact OD1-CG 3.28Å; D466-R495 IonicContact OD1-CZ 3.64Å; D466-R495 IonicContact OD1-NE 2.82Å; D466-R495 PolarHBondContact OD1-NE 3.31Å; D466-R495 IonicContact OD1-NH2 2.67Å; D466-R495 IonicContact OD2-CZ 3.51Å; D466-R495 IonicContact OD2-NE 2.98Å; D466-R495 IonicContact OD2-NH2 2.91Å; D466-R495 PolarHBondContact OD2-NH2 3.41Å
467D79.6Confident65.3Low66 Ų6666.8 Ų66.835%0.35336%0.355SS..EExtended strand (participates in β ladder)trans-93.5131.4174.8-72-34.4000110.3K465 L469 N494K465-D467 WeakPolarHBondContact CE-OD1 3.41Å; K465-D467 IonicContact NZ-OD1 3.53Å; D467-L469 PolarHBondContact O-N 2.95Å; D467-N494 PolarHBondContact N-O 3.37Å; D467-N494 PolarHBondContact O-N 2.97Å
468I65.1Low62.8Low132 Ų13268 Ų6868%0.67738%0.377SS*.EExtended strand (participates in β ladder)trans-79112.4172.5-56.5173.5000107.7S470I468-S470 PolarHBondContact O-N 2.94Å
469L55.1Low60Low56 Ų5676 Ų7629%0.29341%0.409SS..  trans-65101.7170.2-67.6170.3000108.8D467 T492 N494D467-L469 PolarHBondContact O-N 2.95Å; L469-T492 WeakPolarHBondContact CB-O 3.3Å; L469-T492 PolarHBondContact N-O 2.86Å; L469-N494 HydrophobicContact CD1-CB 4.08Å; L469-N494 HydrophobicContact CD2-CB 4.33Å; L469-N494 HydrophobicContact CG-CB 4.04Å
470S36.4Very low57.1Low68 Ų6883.9 Ų83.948%0.47645%0.451SS..  trans-67.1142.5166.562.50000109.2I468 N472 N473I468-S470 PolarHBondContact O-N 2.94Å; S470-N472 PolarHBondContact O-N 3.34Å; S470-N473 PolarHBondContact O-N 3.23Å
471A30.4Very low54Low83 Ų8387.7 Ų87.769%0.68648%0.484SS*.G310 helixtrans-53.1-18.8-172.500000114.7
472N31.6Very low50.9Low148 Ų14899.1 Ų99.179%0.79153%0.528SS*.G310 helixtrans-78.8-14.9178.9-66.1-7.6000114.1S470S470-N472 PolarHBondContact O-N 3.34Å
473N32.5Very low47.6Very low93 Ų93106.3 Ų106.350%0.49757%0.566SS.*G310 helixtrans-96.5-7.2177.6-88.5-16000114.2S470 N475 K476S470-N473 PolarHBondContact O-N 3.23Å; N473-N475 PolarHBondContact O-N 3.44Å; N473-K476 PolarHBondContact O-N 2.92Å
474C31.1Very low44.6Very low64 Ų64112.8 Ų112.843%0.43261%0.606SS.*G310 helixtrans-66.9-18.7179.6-75.70000113.9K476 Y477C474-K476 PolarHBondContact O-N 3.49Å; C474-K476 VanDerWaalsContact O-N 3.16Å; C474-Y477 PolarHBondContact O-N 2.8Å
475N28.4Very low41.5Very low158 Ų158120.5 Ų120.585%0.84564%0.642SS**G310 helixtrans-72.3-3.7179.1-76.2-10.9000114.8N473N473-N475 PolarHBondContact O-N 3.44Å
476K33.7Very low38.5Very low166 Ų166122.8 Ų122.872%0.72267%0.665SS**G310 helixtrans-96.7-7.3178.4-86.3-178.9176173.70115N473 C474N473-K476 PolarHBondContact O-N 2.92Å; C474-K476 PolarHBondContact O-N 3.49Å; C474-K476 VanDerWaalsContact O-N 3.16Å
477Y33.2Very low35.4Very low142 Ų142126.9 Ų126.956%0.55769%0.687SS**SBendtrans-139.292.2-177.1-71.1-81.5000110.7K419 C474K419-Y477 PolarHBondContact NZ-OH 2.95Å; K419-Y477 VanDerWaalsContact NZ-OH 3.08Å; C474-Y477 PolarHBondContact O-N 2.8Å
478G29.2Very low33Very low65 Ų65130.2 Ų130.267%0.6771%0.709SS**  trans88.9102.7163.100000115.9N480G478-N480 PolarHBondContact O-N 3.06Å
479K25.7Very low31.4Very low191 Ų191131 Ų13183%0.8372%0.72SS**  trans-59.7124.2157.2-74.5174.6174.5174.20109.2
480N28.3Very low30.5Very low166 Ų166130.1 Ų130.189%0.88872%0.717SS**  trans167.884.9143.3-80.5-7000108.6G478G478-N480 PolarHBondContact O-N 3.06Å
481A29Very low30.9Very low89 Ų89128.5 Ų128.574%0.73671%0.712SS**  trans-152.976.8172.800000110.9
482W28.8Very low32.3Very low260 Ų260127 Ų12799%0.98569%0.694SS**SBendtrans-101.13.5164.2-88.33.7000113.5
483D27.5Very low34.3Very low151 Ų151124.3 Ų124.381%0.80768%0.683SS**SBendtrans-13879.4179-77.2-42.5000112
484T32.1Very low36.8Very low141 Ų141121.2 Ų121.287%0.86567%0.666SS**  trans-172.2129142.85.20000112.3
485Q29.9Very low39.7Very low164 Ų164119.5 Ų119.577%0.76665%0.651SS**  trans-60.5151179.9-68.9-172.4-13.800113.7N487Q485-N487 VanDerWaalsContact C-N 3.35Å; Q485-N487 PolarHBondContact O-N 2.93Å
486P28.9Very low42.8Very low124 Ų124112.9 Ų112.981%0.80562%0.616SS**SBendtrans-82.874.1-176.535.6-33.7000110.6
487N27.3Very low45.7Very low138 Ų138105.2 Ų105.274%0.73858%0.583SS**  trans-146.565.7173.6-87.7-28000111.2Q485Q485-N487 VanDerWaalsContact C-N 3.35Å; Q485-N487 PolarHBondContact O-N 2.93Å
488T29.5Very low48.7Very low135 Ų13598.7 Ų98.783%0.82856%0.558SS**  trans-171.6105.7155.58.40000111.3V490T488-V490 PolarHBondContact O-N 2.62Å
489T29.6Very low51.9Low148 Ų14895.8 Ų95.891%0.90853%0.527SS*.  trans-76.877.2178.928.60000112.2
490V38.1Very low55.2Low38 Ų3888.3 Ų88.323%0.2349%0.494CS..  trans-13187.1170.1-177.10000109.6T488 R945 K947T488-V490 PolarHBondContact O-N 2.62Å; V490-R945 PolarHBondContact O-NE 2.85Å; V490-R945 PolarHBondContact O-NH2 3.28Å; V490-K947 HydrophobicContact CB-CD 4.16Å; V490-K947 HydrophobicContact CG1-CB 4.31Å; V490-K947 HydrophobicContact CG1-CD 3.43Å; V490-K947 VanDerWaalsContact CG1-CD 3.43Å; V490-K947 VanDerWaalsContact CG1-CE 3.47Å; V490-K947 HydrophobicContact CG1-CG 3.65Å; V490-K947 HydrophobicContact CG2-CB 4.19Å; V490-K947 HydrophobicContact CG2-CD 3.68Å; V490-K947 HydrophobicContact CG2-CG 4.26Å
491G44.4Very low58.3Low35 Ų3580.4 Ų80.436%0.36145%0.451SS..PPolyproline II helixtrans-56.3141.2173.700000111.5T493 R945G491-T493 PolarHBondContact O-N 3.41Å; G491-R945 VanDerWaalsContact C-NH2 3.3Å
492T58.9Low61.5Low50 Ų5076.1 Ų76.131%0.30742%0.416SS..PPolyproline II helixtrans-79.7125.1-178.82.30000105.2L469 N494 R945L469-T492 WeakPolarHBondContact CB-O 3.3Å; L469-T492 PolarHBondContact N-O 2.86Å; T492-N494 PolarHBondContact O-N 2.83Å; T492-R945 VanDerWaalsContact CA-NH2 3.25Å; T492-R945 VanDerWaalsContact CB-CZ 3.47Å; T492-R945 VanDerWaalsContact CB-NH2 3.26Å; T492-R945 PolarHBondContact OG1-NH1 2.75Å; T492-R945 PolarHBondContact OG1-NH2 3.03Å
493T73.6Confident64.5Low93 Ų9364.3 Ų64.357%0.57137%0.374SS*.EExtended strand (participates in β ladder)trans-72.1121.8170.145.60000107.9G491G491-T493 PolarHBondContact O-N 3.41Å
494N86Confident67.6Low27 Ų2757.2 Ų57.214%0.14434%0.336CS..EExtended strand (participates in β ladder)trans-103.1107.7169.7-174.732.9000107.2S276 A277 D467 L469 T492S276-N494 PolarHBondContact OG-OD1 2.88Å; A277-N494 WeakPolarHBondContact CB-OD1 3.34Å; A277-N494 PolarHBondContact N-OD1 3.5Å; D467-N494 PolarHBondContact N-O 3.37Å; D467-N494 PolarHBondContact O-N 2.97Å; L469-N494 HydrophobicContact CD1-CB 4.08Å; L469-N494 HydrophobicContact CD2-CB 4.33Å; L469-N494 HydrophobicContact CG-CB 4.04Å; T492-N494 PolarHBondContact O-N 2.83Å
495R92.3Very high70.4Confident29 Ų2950.5 Ų50.511%0.10930%0.295CS..EExtended strand (participates in β ladder)trans-78.9130.3178.7-176.9163.6-72.3176.82.4108.7S275 S276 I362 D363 L365 I464 D466S275-R495 CarbonylContact C-O 3.52Å; S275-R495 WeakPolarHBondContact CA-O 3.46Å; S276-R495 PolarHBondContact N-O 3.18Å; S276-R495 PolarHBondContact OG-N 3.19Å; I362-R495 HydrophobicContact CG2-CG 4.12Å; I362-R495 PolarHBondContact O-NH1 3.08Å; D363-R495 PolarHBondContact O-NH1 3.12Å; L365-R495 PolarHBondContact O-NH1 3Å; I464-R495 HydrophobicContact CG2-CG 3.81Å; D466-R495 VanDerWaalsContact OD1-CB 3.24Å; D466-R495 WeakPolarHBondContact OD1-CB 3.29Å; D466-R495 VanDerWaalsContact OD1-CG 3.27Å; D466-R495 WeakPolarHBondContact OD1-CG 3.28Å; D466-R495 IonicContact OD1-CZ 3.64Å; D466-R495 IonicContact OD1-NE 2.82Å; D466-R495 PolarHBondContact OD1-NE 3.31Å; D466-R495 IonicContact OD1-NH2 2.67Å; D466-R495 IonicContact OD2-CZ 3.51Å; D466-R495 IonicContact OD2-NE 2.98Å; D466-R495 IonicContact OD2-NH2 2.91Å; D466-R495 PolarHBondContact OD2-NH2 3.41Å
496T93Very high73.1Confident19 Ų1943.2 Ų43.212%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-116.3135.4177.960.60000109.8I464 K465I464-T496 CarbonylContact C-O 3.57Å; I464-T496 VanDerWaalsContact CA-O 3.23Å; I464-T496 WeakPolarHBondContact CA-O 3.15Å; K465-T496 PolarHBondContact N-O 2.69Å; K465-T496 PolarHBondContact O-N 2.87Å; K465-T496 PolarHBondContact O-OG1 2.63Å
497I94.5Very high76Confident4 Ų437.3 Ų37.32%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-115.2115.3175.3-59.5-177000107.5T273 L274 I362 F427 L462 I464T273-I497 CarbonylContact C-O 3.53Å; T273-I497 VanDerWaalsContact CA-O 3.28Å; T273-I497 WeakPolarHBondContact CA-O 3.38Å; L274-I497 PolarHBondContact N-O 2.8Å; L274-I497 PolarHBondContact O-N 2.89Å; I362-I497 HydrophobicContact CB-CD1 4.09Å; I362-I497 HydrophobicContact CD1-CD1 3.28Å; I362-I497 HydrophobicContact CG1-CD1 3.32Å; I362-I497 HydrophobicContact CG2-CD1 3.69Å; I362-I497 HydrophobicContact CG2-CG1 4.37Å; F427-I497 HydrophobicContact CE2-CG2 4.44Å; F427-I497 HydrophobicContact CZ-CG2 4.29Å; L462-I497 HydrophobicContact CD1-CG2 3.49Å; L462-I497 VanDerWaalsContact CD1-CG2 3.49Å; L462-I497 HydrophobicContact CG-CG2 4.2Å; I464-I497 HydrophobicContact CG1-CG1 4.2Å; I464-I497 HydrophobicContact CG1-CG2 4.4Å; I464-I497 HydrophobicContact CG2-CG1 4.27Å
498S95.9Very high79.1Confident6 Ų630.8 Ų30.84%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-113.6121-177.4-650000110.7T273 L462 H463 W500T273-S498 WeakPolarHBondContact CG2-OG 3.12Å; T273-S498 PolarHBondContact OG1-OG 3.16Å; L462-S498 CarbonylContact C-O 3.55Å; L462-S498 WeakPolarHBondContact CA-O 3.29Å; H463-S498 PolarHBondContact N-O 3.28Å; H463-S498 PolarHBondContact O-N 3.35Å; S498-W500 VanDerWaalsContact CB-NE1 3.31Å
499Y95.4Very high81.8Confident4 Ų426 Ų262%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-101.693.5172.3-167-119.2000108.3S271 V272 G376 I379 V431 Y460 L462S271-Y499 WeakPolarHBondContact CA-O 3.32Å; V272-Y499 PolarHBondContact N-O 3.33Å; V272-Y499 PolarHBondContact O-N 2.94Å; G376-Y499 WeakPolarHBondContact O-CE2 3.46Å; G376-Y499 PolarHBondContact O-OH 3.03Å; I379-Y499 HydrophobicContact CB-CD2 4.43Å; I379-Y499 HydrophobicContact CB-CE2 4.28Å; I379-Y499 HydrophobicContact CG2-CD2 4.28Å; I379-Y499 HydrophobicContact CG2-CE2 3.71Å; V431-Y499 HydrophobicContact CG2-CD1 4.01Å; V431-Y499 HydrophobicContact CG2-CE1 4.32Å; V431-Y499 HydrophobicContact CG2-CG 4.4Å; Y460-Y499 VanDerWaalsContact CB-CZ 3.45Å; Y460-Y499 AromaticContact CD1-CD1 3.5Å; Y460-Y499 HydrophobicContact CD1-CD1 3.5Å; Y460-Y499 HydrophobicContact CD1-CD2 4.44Å; Y460-Y499 AromaticContact CD1-CE1 3.18Å; Y460-Y499 HydrophobicContact CD1-CE1 3.18Å; Y460-Y499 HydrophobicContact CD1-CE2 4.19Å; Y460-Y499 HydrophobicContact CD1-CG 4.14Å; Y460-Y499 AromaticContact CD1-CZ 3.58Å; Y460-Y499 HydrophobicContact CD2-CE1 4.17Å; Y460-Y499 AromaticContact CE1-CD1 3.81Å; Y460-Y499 HydrophobicContact CE1-CD1 3.81Å; Y460-Y499 AromaticContact CE1-CE1 3.51Å; Y460-Y499 HydrophobicContact CE1-CE1 3.51Å; Y460-Y499 HydrophobicContact CE2-CE1 4.46Å; Y460-Y499 HydrophobicContact CG-CD1 4.26Å; Y460-Y499 AromaticContact CG-CE1 3.55Å; Y460-Y499 HydrophobicContact CG-CE1 3.55Å; Y460-Y499 HydrophobicContact CG-CE2 4.08Å; Y460-Y499 AromaticContact CG-CZ 3.44Å; Y460-Y499 VanDerWaalsContact CG-CZ 3.44Å; L462-Y499 HydrophobicContact CD1-CD2 4.06Å
500W95.8Very high84.5Confident33 Ų3320.3 Ų20.313%0.12512%0.118CC..EExtended strand (participates in β ladder)trans-97.7129.8-172.8-66.8-30.5000111.4Y460 R461 H463 S498 F502 P698 R699 L702Y460-W500 CarbonylContact C-O 3.58Å; Y460-W500 WeakPolarHBondContact CA-O 3.5Å; R461-W500 PolarHBondContact N-O 3.49Å; R461-W500 PolarHBondContact O-N 3.04Å; H463-W500 HydrophobicContact CB-CE3 3.95Å; H463-W500 HydrophobicContact CB-CH2 4.01Å; H463-W500 HydrophobicContact CB-CZ3 3.58Å; H463-W500 AromaticContact CD2-CH2 3.48Å; H463-W500 VanDerWaalsContact CD2-CH2 3.48Å; H463-W500 WeakPolarHBondContact CD2-CH2 3.3Å; H463-W500 AromaticContact CD2-CZ3 3.75Å; H463-W500 AromaticContact CG-CH2 3.93Å; H463-W500 AromaticContact CG-CZ3 3.73Å; S498-W500 VanDerWaalsContact CB-NE1 3.31Å; W500-F502 HydrophobicContact CB-CE2 4.19Å; W500-F502 HydrophobicContact CB-CZ 4.07Å; W500-F502 AromaticContact CE3-CZ 3.95Å; W500-F502 HydrophobicContact CE3-CZ 3.95Å; W500-P698 HydrophobicContact CH2-CB 4.46Å; W500-P698 HydrophobicContact CZ3-CB 4.27Å; W500-R699 HydrophobicContact CE3-CB 4.38Å; W500-R699 HydrophobicContact CE3-CG 4.34Å; W500-R699 HydrophobicContact CH2-CB 4.25Å; W500-R699 HydrophobicContact CZ3-CB 4.05Å; W500-R699 HydrophobicContact CZ3-CG 4.5Å; W500-L702 HydrophobicContact CE3-CD1 4.27Å; W500-L702 HydrophobicContact CZ3-CD1 4.15Å
501C94.4Very high86.9Confident0 Ų018.5 Ų18.50%011%0.107CC..EExtended strand (participates in β ladder)trans-89.8127.8167.8-1680000109.8E267 S271 Y460E267-C501 WeakPolarHBondContact CB-O 3.45Å; E267-C501 WeakPolarHBondContact CG-O 3.37Å; S271-C501 PolarHBondContact OG-N 3.32Å; Y460-C501 HydrophobicContact CD1-CB 3.89Å; Y460-C501 HydrophobicContact CE1-CB 3.53Å
502F95Very high89Confident0 Ų019.3 Ų19.30%010%0.102CC..  trans-105.29.4176.9-68.7-63.4000113.7C459 R461 W500 R699 L702 K703 Y706C459-F502 PolarHBondContact O-N 3.46Å; R461-F502 HydrophobicContact CB-CD2 4.43Å; R461-F502 HydrophobicContact CB-CE2 3.88Å; R461-F502 HydrophobicContact CG-CD2 4Å; R461-F502 HydrophobicContact CG-CE2 3.77Å; W500-F502 HydrophobicContact CB-CE2 4.19Å; W500-F502 HydrophobicContact CB-CZ 4.07Å; W500-F502 AromaticContact CE3-CZ 3.95Å; W500-F502 HydrophobicContact CE3-CZ 3.95Å; F502-R699 HydrophobicContact CE1-CG 3.79Å; F502-R699 WeakPolarHBondContact CE1-O 3.26Å; F502-R699 HydrophobicContact CZ-CG 4.25Å; F502-L702 HydrophobicContact CE1-CB 4.43Å; F502-L702 HydrophobicContact CE2-CB 3.6Å; F502-L702 HydrophobicContact CE2-CD1 4.46Å; F502-L702 HydrophobicContact CZ-CB 3.49Å; F502-L702 VanDerWaalsContact CZ-CB 3.49Å; F502-L702 HydrophobicContact CZ-CD1 4.41Å; F502-K703 HydrophobicContact CB-CD 3.98Å; F502-K703 HydrophobicContact CD1-CB 3.65Å; F502-K703 HydrophobicContact CD1-CD 3.74Å; F502-K703 HydrophobicContact CD1-CG 4.22Å; F502-K703 HydrophobicContact CE1-CB 3.77Å; F502-K703 HydrophobicContact CG-CB 4.5Å; F502-K703 HydrophobicContact CG-CD 4.24Å; F502-K703 PolarHBondContact O-NZ 3.22Å; F502-Y706 HydrophobicContact CB-CD1 3.5Å; F502-Y706 HydrophobicContact CB-CD2 4.2Å; F502-Y706 HydrophobicContact CB-CE1 4.03Å; F502-Y706 HydrophobicContact CB-CG 3.6Å; F502-Y706 HydrophobicContact CG-CG 4.46Å; F502-Y706 WeakPolarHBondContact O-CD1 3.02Å; F502-Y706 WeakPolarHBondContact O-CE1 3.42Å
503S92.9Very high90.4Very high12 Ų1222.6 Ų22.68%0.08411%0.114CC..  trans-114.2105.4178.3-172.40000110.7C459 G505 R506 Y706C459-S503 WeakPolarHBondContact SG-CB 3.12Å; S503-G505 PolarHBondContact O-N 3.31Å; S503-R506 WeakPolarHBondContact O-CB 3.23Å; S503-R506 WeakPolarHBondContact O-CG 3.45Å; S503-R506 PolarHBondContact O-N 2.65Å; S503-Y706 WeakPolarHBondContact CB-OH 3.31Å
504P92.5Very high91Very high2 Ų222.6 Ų22.61%0.01311%0.108CC..THydrogen-bonded Turntrans-69.9-21.1178.730.9-35.8000112.3E263 C266 E267 R506 A507 I508 E535 L536E263-P504 HydrophobicContact CB-CB 4.04Å; E263-P504 HydrophobicContact CB-CG 3.96Å; E263-P504 HydrophobicContact CG-CG 4.13Å; E263-P504 WeakPolarHBondContact O-CB 3.36Å; C266-P504 HydrophobicContact CB-CB 3.55Å; C266-P504 WeakPolarHBondContact CB-O 3.37Å; E267-P504 HydrophobicContact CG-CB 4.26Å; P504-R506 PolarHBondContact O-N 3.12Å; P504-R506 VanDerWaalsContact O-N 3.08Å; P504-A507 PolarHBondContact O-N 2.97Å; P504-I508 PolarHBondContact O-N 3.01Å; P504-E535 HydrophobicContact CG-CB 3.86Å; P504-E535 WeakPolarHBondContact CG-O 3.5Å; P504-L536 HydrophobicContact CB-CD2 3.92Å; P504-L536 HydrophobicContact CG-CD2 4.23Å
505G90.4Very high91.2Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-57.9-18.5172.500000114.5S503 Q509 E535 L536S503-G505 PolarHBondContact O-N 3.31Å; G505-Q509 VanDerWaalsContact O-CB 3.31Å; G505-Q509 WeakPolarHBondContact O-CB 3.39Å; G505-Q509 PolarHBondContact O-N 2.57Å; G505-E535 PolarHBondContact N-O 3.3Å; G505-L536 VanDerWaalsContact CA-O 3.26Å; G505-L536 WeakPolarHBondContact CA-O 3.46Å
506R87.5Confident91.2Very high10 Ų1024.6 Ų24.64%0.03812%0.122CC..Hα-helixtrans-63.6-52.7174.9-70.4-75.6163.3-164-11.3112.6D455 S456 C459 S503 P504 I508 Q509 Q510D455-R506 PolarHBondContact O-NH2 2.86Å; D455-R506 VanDerWaalsContact O-NH2 3.07Å; S456-R506 VanDerWaalsContact N-NH2 3.14Å; S456-R506 PolarHBondContact OG-NH1 2.94Å; S456-R506 PolarHBondContact OG-NH2 3.21Å; C459-R506 HydrophobicContact CB-CG 4.43Å; C459-R506 PolarHBondContact SG-NE 3.13Å; S503-R506 WeakPolarHBondContact O-CB 3.23Å; S503-R506 WeakPolarHBondContact O-CG 3.45Å; S503-R506 PolarHBondContact O-N 2.65Å; P504-R506 PolarHBondContact O-N 3.12Å; P504-R506 VanDerWaalsContact O-N 3.08Å; R506-I508 VanDerWaalsContact C-N 3.29Å; R506-I508 PolarHBondContact O-N 3.49Å; R506-Q509 PolarHBondContact O-N 2.82Å; R506-Q510 PolarHBondContact O-N 2.86Å; R506-Q510 VanDerWaalsContact O-N 3.11Å
507A90Very high91.2Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-64.3-37.3177.900000111.4C266 P504 Q510 L511C266-A507 HydrophobicContact CB-CB 3.74Å; P504-A507 PolarHBondContact O-N 2.97Å; A507-Q510 PolarHBondContact O-N 3.48Å; A507-L511 WeakPolarHBondContact O-CB 3.33Å; A507-L511 PolarHBondContact O-N 3.26Å
508I91.1Very high91.2Very high1 Ų126.1 Ų26.11%0.00513%0.125CC..Hα-helixtrans-66.2-41.1176.1-61.3-58.6000111.8L237 P504 R506 Q510 L511 I512 L536 L538L237-I508 HydrophobicContact CD2-CD1 4.4Å; P504-I508 PolarHBondContact O-N 3.01Å; R506-I508 VanDerWaalsContact C-N 3.29Å; R506-I508 PolarHBondContact O-N 3.49Å; I508-Q510 VanDerWaalsContact C-N 3.34Å; I508-Q510 PolarHBondContact O-N 2.93Å; I508-L511 WeakPolarHBondContact O-CA 3.48Å; I508-L511 WeakPolarHBondContact O-CB 3.43Å; I508-L511 PolarHBondContact O-N 3.01Å; I508-L511 VanDerWaalsContact O-N 3.1Å; I508-I512 HydrophobicContact CG2-CD1 3.88Å; I508-I512 HydrophobicContact CG2-CG1 4.4Å; I508-I512 WeakPolarHBondContact O-CG1 3.33Å; I508-I512 PolarHBondContact O-N 2.72Å; I508-L536 HydrophobicContact CD1-CD2 4.25Å; I508-L536 HydrophobicContact CG1-CB 4.33Å; I508-L536 HydrophobicContact CG1-CD2 3.74Å; I508-L538 HydrophobicContact CG2-CB 4.07Å; I508-L538 HydrophobicContact CG2-CD2 3.85Å; I508-L538 HydrophobicContact CG2-CG 4.38Å
509Q86.7Confident91.2Very high36 Ų3625.9 Ų25.917%0.16812%0.123CC..Hα-helixtrans-60.8-44.5175.6-172.7-179.61.600111.3F449 G505 R506 L511 I512 Q513F449-Q509 HydrophobicContact CD1-CB 4.3Å; F449-Q509 HydrophobicContact CD1-CG 3.9Å; F449-Q509 HydrophobicContact CE1-CB 3.75Å; F449-Q509 HydrophobicContact CE1-CG 3.88Å; F449-Q509 HydrophobicContact CZ-CB 4.42Å; G505-Q509 VanDerWaalsContact O-CB 3.31Å; G505-Q509 WeakPolarHBondContact O-CB 3.39Å; G505-Q509 PolarHBondContact O-N 2.57Å; R506-Q509 PolarHBondContact O-N 2.82Å; Q509-L511 PolarHBondContact O-N 3.4Å; Q509-I512 PolarHBondContact O-N 3.22Å; Q509-Q513 VanDerWaalsContact O-CG 3.28Å; Q509-Q513 WeakPolarHBondContact O-CG 3.34Å; Q509-Q513 PolarHBondContact O-N 2.88Å
510Q85.3Confident91.3Very high27 Ų2725.7 Ų25.713%0.12612%0.122CC..Hα-helixtrans-61.6-34.5174.1-70.5-173.2-49.500112.6P239 Y434 R506 A507 I508 Q514P239-Q510 VanDerWaalsContact CG-OE1 3.25Å; Y434-Q510 VanDerWaalsContact CE1-CD 3.49Å; Y434-Q510 HydrophobicContact CE1-CG 3.94Å; Y434-Q510 PolarHBondContact OH-NE2 2.91Å; Y434-Q510 PolarHBondContact OH-OE1 2.91Å; R506-Q510 PolarHBondContact O-N 2.86Å; R506-Q510 VanDerWaalsContact O-N 3.11Å; A507-Q510 PolarHBondContact O-N 3.48Å; I508-Q510 VanDerWaalsContact C-N 3.34Å; I508-Q510 PolarHBondContact O-N 2.93Å; Q510-Q514 WeakPolarHBondContact O-CG 3.43Å
511L89.5Confident91.4Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-66.6-45.7176.4-171.563.7000110.8V236 L237 L249 F256 A507 I508 Q509 Q513 Q514 V516 I519V236-L511 HydrophobicContact CG1-CD1 3.84Å; L237-L511 HydrophobicContact CD2-CD2 4.37Å; L249-L511 HydrophobicContact CD1-CD1 3.28Å; F256-L511 HydrophobicContact CE2-CD2 4.13Å; F256-L511 HydrophobicContact CZ-CD2 4.18Å; A507-L511 WeakPolarHBondContact O-CB 3.33Å; A507-L511 PolarHBondContact O-N 3.26Å; I508-L511 WeakPolarHBondContact O-CA 3.48Å; I508-L511 WeakPolarHBondContact O-CB 3.43Å; I508-L511 PolarHBondContact O-N 3.01Å; I508-L511 VanDerWaalsContact O-N 3.1Å; Q509-L511 PolarHBondContact O-N 3.4Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 3.37Å; L511-Q514 WeakPolarHBondContact O-CB 3.48Å; L511-Q514 PolarHBondContact O-N 2.98Å; L511-V516 HydrophobicContact CD1-CG2 4Å; L511-V516 HydrophobicContact CG-CG2 4.03Å; L511-V516 VanDerWaalsContact O-CG2 3.29Å; L511-V516 WeakPolarHBondContact O-CG2 3.47Å; L511-I519 HydrophobicContact CD2-CD1 3.66Å; L511-I519 HydrophobicContact CD2-CG1 4.2Å; L511-I519 HydrophobicContact CG-CD1 4.3Å
512I89.3Confident91.4Very high52 Ų5224.2 Ų24.227%0.26712%0.117SC..Hα-helixtrans-64.3-38.1177.4-65.5166000111.4F449 I508 Q509 Q514 N515 L538F449-I512 HydrophobicContact CE2-CD1 3.94Å; F449-I512 HydrophobicContact CZ-CD1 4.32Å; I508-I512 HydrophobicContact CG2-CD1 3.88Å; I508-I512 HydrophobicContact CG2-CG1 4.4Å; I508-I512 WeakPolarHBondContact O-CG1 3.33Å; I508-I512 PolarHBondContact O-N 2.72Å; Q509-I512 PolarHBondContact O-N 3.22Å; I512-Q514 PolarHBondContact O-N 3.1Å; I512-Q514 VanDerWaalsContact O-N 3.08Å; I512-N515 PolarHBondContact O-N 3.11Å; I512-L538 HydrophobicContact CD1-CD1 3.75Å
513Q87.3Confident91.2Very high119 Ų11924.2 Ų24.256%0.55612%0.117SC*.THydrogen-bonded Turntrans-59.1-18.6175.7-76.7170.4-11.800113.6Q509 L511 N515Q509-Q513 VanDerWaalsContact O-CG 3.28Å; Q509-Q513 WeakPolarHBondContact O-CG 3.34Å; Q509-Q513 PolarHBondContact O-N 2.88Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-Q513 PolarHBondContact O-N 3.37Å; Q513-N515 PolarHBondContact O-N 2.71Å
514Q87.1Confident90.8Very high93 Ų9323.9 Ų23.944%0.43512%0.115SC..THydrogen-bonded Turntrans-85.814.2173.8-57.6-60.9-63.100113.5L249 E250 Q510 L511 I512 V516L249-Q514 CarbonylContact C-O 3.56Å; L249-Q514 HydrophobicContact CB-CB 3.94Å; L249-Q514 HydrophobicContact CD1-CB 4.38Å; L249-Q514 HydrophobicContact CD1-CG 4.48Å; E250-Q514 WeakPolarHBondContact CA-O 3.26Å; E250-Q514 PolarHBondContact N-O 3.4Å; Q510-Q514 WeakPolarHBondContact O-CG 3.43Å; L511-Q514 WeakPolarHBondContact O-CB 3.48Å; L511-Q514 PolarHBondContact O-N 2.98Å; I512-Q514 PolarHBondContact O-N 3.1Å; I512-Q514 VanDerWaalsContact O-N 3.08Å; Q514-V516 VanDerWaalsContact C-N 3.3Å; Q514-V516 PolarHBondContact O-N 3.46Å
515N89.5Confident90.3Very high82 Ų8224.2 Ų24.244%0.43912%0.117SC..THydrogen-bonded Turntrans56.740.1-178.5-61.5-36.4000113.5E250 N251 I512 Q513E250-N515 HydrophobicContact CG-CB 4.36Å; N251-N515 PolarHBondContact N-O 3.03Å; I512-N515 PolarHBondContact O-N 3.11Å; Q513-N515 PolarHBondContact O-N 2.71Å
516V91.9Very high89.9Confident17 Ų1724.2 Ų24.210%0.10312%0.117CC..  trans-60.1135171168.70000109.7L249 T252 V254 L511 Q514 C518 I519L249-V516 HydrophobicContact CB-CG2 3.74Å; L249-V516 HydrophobicContact CD1-CG2 4.16Å; T252-V516 WeakPolarHBondContact O-CG1 3.47Å; V254-V516 HydrophobicContact CG2-CG1 4.02Å; V254-V516 HydrophobicContact CG2-CG2 4.41Å; L511-V516 HydrophobicContact CD1-CG2 4Å; L511-V516 HydrophobicContact CG-CG2 4.03Å; L511-V516 VanDerWaalsContact O-CG2 3.29Å; L511-V516 WeakPolarHBondContact O-CG2 3.47Å; Q514-V516 VanDerWaalsContact C-N 3.3Å; Q514-V516 PolarHBondContact O-N 3.46Å; V516-C518 WeakPolarHBondContact CG1-O 3.27Å; V516-I519 HydrophobicContact CG1-CG1 3.9Å
517R92.9Very high89.6Confident55 Ų5526 Ų2621%0.20812%0.124CC..  trans-68.9-55-176.4-178.6174.1-176.6-88.2-8.3112.2L32 N33 T252L32-R517 PolarHBondContact O-NH1 3.08Å; L32-R517 PolarHBondContact O-NH2 3.25Å; N33-R517 PolarHBondContact O-NH2 3.3Å; T252-R517 WeakPolarHBondContact O-CB 3.44Å; T252-R517 PolarHBondContact O-N 3.45Å
518C94.8Very high89.3Confident0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-156164.4171.865.30000111T253 V254 V516T253-C518 WeakPolarHBondContact CA-O 3.35Å; T253-C518 WeakPolarHBondContact CG2-SG 3.39Å; T253-C518 PolarHBondContact OG1-SG 3.05Å; V254-C518 PolarHBondContact N-O 2.7Å; V516-C518 WeakPolarHBondContact CG1-O 3.27Å
519I96.6Very high89.1Confident1 Ų127.5 Ų27.51%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-124.6124.3-179.6-60.9166.6000107H37 A38 V254 F256 L511 V516 L521 L538H37-I519 CarbonylContact C-O 3.57Å; H37-I519 WeakPolarHBondContact CA-O 3.28Å; H37-I519 WeakPolarHBondContact CB-O 3.13Å; H37-I519 PolarHBondContact ND1-N 2.83Å; A38-I519 PolarHBondContact N-O 3.47Å; V254-I519 CarbonylContact O-C 3.59Å; V254-I519 VanDerWaalsContact O-CA 3.3Å; V254-I519 WeakPolarHBondContact O-CA 3.35Å; F256-I519 HydrophobicContact CD2-CG2 3.83Å; F256-I519 HydrophobicContact CE2-CG2 3.87Å; L511-I519 HydrophobicContact CD2-CD1 3.66Å; L511-I519 HydrophobicContact CD2-CG1 4.2Å; L511-I519 HydrophobicContact CG-CD1 4.3Å; V516-I519 HydrophobicContact CG1-CG1 3.9Å; I519-L521 HydrophobicContact CG2-CD2 4.02Å; I519-L538 HydrophobicContact CB-CD2 4.43Å; I519-L538 HydrophobicContact CD1-CD2 3.89Å
520I97.6Very high89.2Confident0 Ų028.4 Ų28.40%014%0.138CC..EExtended strand (participates in β ladder)trans-112.3117.4177.2-57.5-179.2000107.9S31 L32 A38 L40 T253 V254 I255 F256S31-I520 WeakPolarHBondContact OG-CG1 3.5Å; L32-I520 HydrophobicContact CD2-CD1 4.42Å; A38-I520 HydrophobicContact CB-CG1 4.29Å; A38-I520 HydrophobicContact CB-CG2 4.35Å; A38-I520 CarbonylContact O-C 3.55Å; A38-I520 WeakPolarHBondContact O-CA 3.36Å; L40-I520 HydrophobicContact CD1-CG2 3.84Å; L40-I520 HydrophobicContact CG-CG2 4.27Å; T253-I520 HydrophobicContact CG2-CD1 4.25Å; T253-I520 HydrophobicContact CG2-CG1 4.47Å; V254-I520 PolarHBondContact O-N 2.98Å; I255-I520 CarbonylContact C-O 3.59Å; I255-I520 WeakPolarHBondContact CA-O 3.31Å; I255-I520 HydrophobicContact CG1-CB 4.24Å; I255-I520 HydrophobicContact CG1-CD1 4.33Å; I255-I520 HydrophobicContact CG2-CB 4.3Å; I255-I520 HydrophobicContact CG2-CG2 4.39Å; F256-I520 PolarHBondContact N-O 3.26Å
521L97Very high89.4Confident1 Ų128 Ų281%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-97129.2171.3-57.5-172.2000109.1A38 I39 L40 F256 A259 I262 I519 I532 L536 F540A38-L521 PolarHBondContact O-N 2.79Å; I39-L521 WeakPolarHBondContact CA-O 3.23Å; I39-L521 HydrophobicContact CD1-CD1 4.42Å; I39-L521 HydrophobicContact CG1-CB 4.27Å; L40-L521 PolarHBondContact N-O 3.19Å; F256-L521 HydrophobicContact CB-CD2 3.78Å; F256-L521 HydrophobicContact CD2-CD2 3.65Å; F256-L521 HydrophobicContact CG-CD2 4.07Å; A259-L521 HydrophobicContact CB-CB 4.16Å; A259-L521 HydrophobicContact CB-CD2 4.22Å; I262-L521 HydrophobicContact CG1-CD2 4.45Å; I262-L521 HydrophobicContact CG2-CD1 4.47Å; I519-L521 HydrophobicContact CG2-CD2 4.02Å; L521-I532 HydrophobicContact CD1-CG2 4.27Å; L521-L536 HydrophobicContact CD1-CD1 3.66Å; L521-F540 HydrophobicContact CD1-CE1 3.99Å; L521-F540 HydrophobicContact CD1-CE2 3.98Å; L521-F540 HydrophobicContact CD1-CZ 3.37Å; L521-F540 HydrophobicContact CG-CE1 3.86Å; L521-F540 HydrophobicContact CG-CZ 3.75Å
522T94.9Very high89.4Confident0 Ų028 Ų280%014%0.138CC..EExtended strand (participates in β ladder)trans-138.1144.1171.5-167.10000112.9Y24 L40 L52 F256 D257 E258 A259Y24-T522 VanDerWaalsContact OH-CB 3.24Å; Y24-T522 WeakPolarHBondContact OH-CB 3.22Å; Y24-T522 WeakPolarHBondContact OH-CG2 3.45Å; Y24-T522 PolarHBondContact OH-OG1 3.38Å; L40-T522 VanDerWaalsContact O-CA 3.28Å; L40-T522 WeakPolarHBondContact O-CA 3.38Å; L40-T522 WeakPolarHBondContact O-CB 3.39Å; L40-T522 PolarHBondContact O-OG1 3.41Å; L52-T522 HydrophobicContact CD2-CG2 3.91Å; F256-T522 PolarHBondContact O-N 2.82Å; D257-T522 HydrophobicContact CB-CG2 4.14Å; D257-T522 WeakPolarHBondContact OD1-CG2 3.27Å; E258-T522 PolarHBondContact N-O 3.17Å; A259-T522 PolarHBondContact N-O 3.23Å
523S90.3Very high89.5Confident0 Ų027.2 Ų27.20%013%0.133CC..EExtended strand (participates in β ladder)trans-171.4161.5173.3151.50000109.2L40 E41 S42 T525L40-S523 PolarHBondContact O-N 2.89Å; E41-S523 WeakPolarHBondContact CA-O 3.3Å; S42-S523 PolarHBondContact N-O 2.89Å; S523-T525 VanDerWaalsContact C-N 3.3Å; S523-T525 PolarHBondContact OG-N 3.03Å; S523-T525 PolarHBondContact OG-OG1 2.92Å
524G83.8Confident89.6Confident5 Ų521.9 Ų21.95%0.05211%0.109CC..SBendtrans-85.14.5171.300000115.7S42S42-G524 WeakPolarHBondContact O-CA 3.32Å
525T82.4Confident89.8Confident10 Ų1017.6 Ų17.66%0.0619%0.089CC..  trans-140.130.7-174.7680000112.5H260 S523 Y527 N747 Q748H260-T525 VanDerWaalsContact CB-OG1 3.31Å; H260-T525 WeakPolarHBondContact CB-OG1 3.24Å; S523-T525 VanDerWaalsContact C-N 3.3Å; S523-T525 PolarHBondContact OG-N 3.03Å; S523-T525 PolarHBondContact OG-OG1 2.92Å; T525-Y527 VanDerWaalsContact C-N 3.27Å; T525-Y527 PolarHBondContact O-N 3.4Å; T525-N747 HydrophobicContact CG2-CB 4.07Å; T525-Q748 HydrophobicContact CG2-CG 4.02Å
526L83.4Confident89.9Confident0 Ų013.7 Ų13.70%07%0.069CC..  trans-77.3-11.1177.9-63.9178.1000113.6I39 E41 A259 P528 V529 I532I39-L526 HydrophobicContact CD1-CD1 4.27Å; I39-L526 HydrophobicContact CG1-CD1 3.82Å; E41-L526 HydrophobicContact CB-CB 4.44Å; E41-L526 HydrophobicContact CG-CB 4.29Å; A259-L526 HydrophobicContact CB-CD2 4.25Å; L526-P528 CarbonylContact O-C 3.59Å; L526-V529 HydrophobicContact CB-CG1 3.92Å; L526-V529 PolarHBondContact O-N 3.09Å; L526-I532 HydrophobicContact CB-CD1 4.16Å; L526-I532 HydrophobicContact CD2-CD1 3.84Å; L526-I532 WeakPolarHBondContact O-CD1 3.36Å
527Y80.5Confident89.7Confident47 Ų4715.8 Ų15.818%0.1848%0.079CC..  trans-75.9139.6-173.8-178.9-89.6000113T525 L777 Q784T525-Y527 VanDerWaalsContact C-N 3.27Å; T525-Y527 PolarHBondContact O-N 3.4Å; Y527-L777 WeakPolarHBondContact CE1-O 3.48Å; Y527-Q784 VanDerWaalsContact CE1-NE2 3.32Å; Y527-Q784 PolarHBondContact OH-NE2 2.98Å
528P84Confident89.5Confident24 Ų2413.7 Ų13.716%0.1567%0.072CC..SBendcis-64.7141.2-16.526.8-37.4000112.6L526 E530 P531 L740L526-P528 CarbonylContact O-C 3.59Å; P528-E530 WeakPolarHBondContact CB-OE2 3.46Å; P528-P531 HydrophobicContact CG-CG 4.28Å; P528-P531 WeakPolarHBondContact O-CD 3.48Å; P528-L740 HydrophobicContact CG-CD1 3.84Å
529V87Confident89.3Confident8 Ų820.1 Ų20.15%0.04810%0.1CC..  trans-85.8-21.4-174.2-63.60000112.8I39 L526 I532 E533 R545I39-V529 HydrophobicContact CD1-CB 3.82Å; I39-V529 HydrophobicContact CD1-CG1 4Å; I39-V529 HydrophobicContact CG1-CB 4.47Å; I39-V529 HydrophobicContact CG1-CG1 4.25Å; L526-V529 HydrophobicContact CB-CG1 3.92Å; L526-V529 PolarHBondContact O-N 3.09Å; V529-I532 WeakPolarHBondContact O-CB 3.22Å; V529-I532 PolarHBondContact O-N 2.98Å; V529-I532 VanDerWaalsContact O-N 3.16Å; V529-E533 PolarHBondContact O-N 3.32Å; V529-E533 VanDerWaalsContact O-N 3.09Å; V529-R545 VanDerWaalsContact CG2-NH2 3.3Å
530E87.9Confident89.1Confident56 Ų5620.4 Ų20.426%0.26210%0.101SC..Hα-helixtrans-61.7-43.3-175.1-62.681.9172.700113.1P528 I532 E533 A534 R545 K730P528-E530 WeakPolarHBondContact CB-OE2 3.46Å; E530-I532 VanDerWaalsContact C-N 3.28Å; E530-I532 PolarHBondContact O-N 3.28Å; E530-E533 PolarHBondContact O-N 3.31Å; E530-A534 WeakPolarHBondContact O-CB 3.05Å; E530-A534 PolarHBondContact O-N 3.31Å; E530-R545 IonicContact OE1-CZ 2.73Å; E530-R545 IonicContact OE1-NH1 3.56Å; E530-R545 IonicContact OE1-NH2 2.83Å; E530-R545 PolarHBondContact OE1-NH2 3.15Å; E530-R545 IonicContact OE2-NH2 3.65Å; E530-K730 HydrophobicContact CB-CB 4.16Å; E530-K730 HydrophobicContact CB-CD 4.36Å; E530-K730 HydrophobicContact CB-CG 3.96Å; E530-K730 HydrophobicContact CG-CD 4.46Å; E530-K730 HydrophobicContact CG-CG 4.23Å
531P89.6Confident88.9Confident17 Ų1724.4 Ų24.411%0.1113%0.127CC..Hα-helixtrans-60.6-37.1173.9-25.837.6000112.9P528 A534 E535 P732 L740P528-P531 HydrophobicContact CG-CG 4.28Å; P528-P531 WeakPolarHBondContact O-CD 3.48Å; P531-A534 PolarHBondContact O-N 3.03Å; P531-E535 WeakPolarHBondContact O-CB 3.28Å; P531-E535 WeakPolarHBondContact O-CG 3.44Å; P531-E535 PolarHBondContact O-N 3.41Å; P531-P732 HydrophobicContact CB-CB 4.33Å; P531-P732 HydrophobicContact CB-CG 4.06Å; P531-L740 HydrophobicContact CB-CD2 3.82Å; P531-L740 HydrophobicContact CG-CD2 3.84Å
532I90.4Very high88.9Confident0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-65.5-46.6178.7-58.2175000110I39 I262 L521 L526 V529 E530 A534 L536I39-I532 HydrophobicContact CD1-CG2 4.49Å; I262-I532 HydrophobicContact CG2-CG2 4.21Å; L521-I532 HydrophobicContact CD1-CG2 4.27Å; L526-I532 HydrophobicContact CB-CD1 4.16Å; L526-I532 HydrophobicContact CD2-CD1 3.84Å; L526-I532 WeakPolarHBondContact O-CD1 3.36Å; V529-I532 WeakPolarHBondContact O-CB 3.22Å; V529-I532 PolarHBondContact O-N 2.98Å; V529-I532 VanDerWaalsContact O-N 3.16Å; E530-I532 VanDerWaalsContact C-N 3.28Å; E530-I532 PolarHBondContact O-N 3.28Å; I532-A534 VanDerWaalsContact C-N 3.3Å; I532-A534 PolarHBondContact O-N 3.44Å; I532-L536 HydrophobicContact CG2-CD1 3.63Å; I532-L536 HydrophobicContact CG2-CG 4.19Å; I532-L536 WeakPolarHBondContact O-CB 3.38Å; I532-L536 VanDerWaalsContact O-CG 3.24Å; I532-L536 WeakPolarHBondContact O-CG 3.39Å; I532-L536 PolarHBondContact O-N 3.42Å
533E91Very high88.9Confident36 Ų3627.6 Ų27.617%0.16815%0.146CC..Hα-helixtrans-57.6-44.4176.1-173.6-177.9-165.200111.2V529 E530 N537 L538 K539 F540 K730V529-E533 PolarHBondContact O-N 3.32Å; V529-E533 VanDerWaalsContact O-N 3.09Å; E530-E533 PolarHBondContact O-N 3.31Å; E533-N537 PolarHBondContact O-N 2.92Å; E533-L538 VanDerWaalsContact CG-O 3.26Å; E533-L538 WeakPolarHBondContact CG-O 3.24Å; E533-L538 PolarHBondContact O-N 3.27Å; E533-K539 WeakPolarHBondContact OE1-CA 3.45Å; E533-F540 HydrophobicContact CB-CD2 4.29Å; E533-F540 HydrophobicContact CG-CD2 4.07Å; E533-F540 PolarHBondContact OE1-N 3.19Å; E533-K730 IonicContact OE2-NZ 2.85Å; E533-K730 PolarHBondContact OE2-NZ 3.17Å
534A89.3Confident89Confident7 Ų727.8 Ų27.86%0.05815%0.147CC..Hα-helixtrans-68.1-46.6-178.200000112.7E530 P531 I532 N537 K730 Y731E530-A534 WeakPolarHBondContact O-CB 3.05Å; E530-A534 PolarHBondContact O-N 3.31Å; P531-A534 PolarHBondContact O-N 3.03Å; I532-A534 VanDerWaalsContact C-N 3.3Å; I532-A534 PolarHBondContact O-N 3.44Å; A534-N537 PolarHBondContact O-N 3.28Å; A534-K730 HydrophobicContact CB-CB 4.3Å; A534-Y731 HydrophobicContact CB-CD2 3.87Å; A534-Y731 HydrophobicContact CB-CG 4.44Å
535E91.7Very high89.3Confident4 Ų433 Ų332%0.01917%0.165CC..Hα-helixtrans-70.9-38.1-178.7-71.6-168.7-110.800112.9E263 P504 G505 P531 N537 K703 L707 P732E263-E535 HydrophobicContact CG-CB 4.44Å; P504-E535 HydrophobicContact CG-CB 3.86Å; P504-E535 WeakPolarHBondContact CG-O 3.5Å; G505-E535 PolarHBondContact N-O 3.3Å; P531-E535 WeakPolarHBondContact O-CB 3.28Å; P531-E535 WeakPolarHBondContact O-CG 3.44Å; P531-E535 PolarHBondContact O-N 3.41Å; E535-N537 PolarHBondContact O-N 3.17Å; E535-K703 WeakPolarHBondContact OE2-CE 3.5Å; E535-K703 IonicContact OE2-NZ 3.56Å; E535-K703 PolarHBondContact OE2-NZ 2.91Å; E535-L707 HydrophobicContact CG-CD2 4.32Å; E535-P732 HydrophobicContact CG-CG 4.03Å
536L91.4Very high89.6Confident0 Ų032.9 Ų32.90%016%0.164CC..THydrogen-bonded Turntrans-69.9-12.1175.4-66.3177.5000112.8I262 P504 G505 I508 L521 I532 L538 F540I262-L536 HydrophobicContact CG2-CD1 4.2Å; I262-L536 HydrophobicContact CG2-CD2 4.47Å; P504-L536 HydrophobicContact CB-CD2 3.92Å; P504-L536 HydrophobicContact CG-CD2 4.23Å; G505-L536 VanDerWaalsContact CA-O 3.26Å; G505-L536 WeakPolarHBondContact CA-O 3.46Å; I508-L536 HydrophobicContact CD1-CD2 4.25Å; I508-L536 HydrophobicContact CG1-CB 4.33Å; I508-L536 HydrophobicContact CG1-CD2 3.74Å; L521-L536 HydrophobicContact CD1-CD1 3.66Å; I532-L536 HydrophobicContact CG2-CD1 3.63Å; I532-L536 HydrophobicContact CG2-CG 4.19Å; I532-L536 WeakPolarHBondContact O-CB 3.38Å; I532-L536 VanDerWaalsContact O-CG 3.24Å; I532-L536 WeakPolarHBondContact O-CG 3.39Å; I532-L536 PolarHBondContact O-N 3.42Å; L536-L538 HydrophobicContact CB-CB 4.29Å; L536-L538 PolarHBondContact O-N 2.95Å; L536-F540 HydrophobicContact CD1-CE2 4.25Å; L536-F540 HydrophobicContact CD1-CZ 4.28Å
537N87.6Confident89.7Confident61 Ų6136.8 Ų36.833%0.32619%0.19SC..THydrogen-bonded Turntrans52.334.2-174-164.629.6000112.4F449 E533 A534 E535F449-N537 HydrophobicContact CE1-CB 4.38Å; F449-N537 WeakPolarHBondContact CE1-ND2 3.48Å; F449-N537 WeakPolarHBondContact CE2-O 3.28Å; F449-N537 HydrophobicContact CZ-CB 4.05Å; F449-N537 WeakPolarHBondContact CZ-O 3.48Å; E533-N537 PolarHBondContact O-N 2.92Å; A534-N537 PolarHBondContact O-N 3.28Å; E535-N537 PolarHBondContact O-N 3.17Å
538L89.1Confident89.9Confident10 Ų1035.5 Ų35.55%0.05219%0.185CC..  trans-129.6124.5-175.5-179.962.6000109.6I508 I512 I519 E533 L536 F540I508-L538 HydrophobicContact CG2-CB 4.07Å; I508-L538 HydrophobicContact CG2-CD2 3.85Å; I508-L538 HydrophobicContact CG2-CG 4.38Å; I512-L538 HydrophobicContact CD1-CD1 3.75Å; I519-L538 HydrophobicContact CB-CD2 4.43Å; I519-L538 HydrophobicContact CD1-CD2 3.89Å; E533-L538 VanDerWaalsContact CG-O 3.26Å; E533-L538 WeakPolarHBondContact CG-O 3.24Å; E533-L538 PolarHBondContact O-N 3.27Å; L536-L538 HydrophobicContact CB-CB 4.29Å; L536-L538 PolarHBondContact O-N 2.95Å; L538-F540 HydrophobicContact CB-CE2 4.34Å; L538-F540 HydrophobicContact CB-CZ 4.47Å; L538-F540 HydrophobicContact CD2-CE1 4Å; L538-F540 HydrophobicContact CD2-CE2 4.33Å; L538-F540 HydrophobicContact CD2-CZ 3.66Å; L538-F540 HydrophobicContact CG-CE2 4.33Å; L538-F540 HydrophobicContact CG-CZ 4.11Å; L538-F540 WeakPolarHBondContact O-CD2 3.41Å; L538-F540 WeakPolarHBondContact O-CE2 3.04Å
539K90Very high89.9Confident136 Ų13635.7 Ų35.759%0.59119%0.186SC*.  trans-78.3135.3178-67.6-172.1176.4-173.50111.3E533 P541E533-K539 WeakPolarHBondContact OE1-CA 3.45Å; K539-P541 VanDerWaalsContact O-CD 3.24Å; K539-P541 WeakPolarHBondContact O-CD 3.39Å
540F92.7Very high90Very high7 Ų736.2 Ų36.23%0.03119%0.188CC..  trans-112.883.7174.9-66-80.3000110.5H37 A38 I39 L521 E533 L536 L538 I542 T543H37-F540 HydrophobicContact CB-CD1 3.65Å; H37-F540 HydrophobicContact CB-CE1 3.9Å; A38-F540 WeakPolarHBondContact O-CD1 3.19Å; I39-F540 HydrophobicContact CB-CB 4Å; I39-F540 HydrophobicContact CB-CD1 4.07Å; I39-F540 HydrophobicContact CB-CD2 4.32Å; I39-F540 HydrophobicContact CB-CG 3.87Å; I39-F540 HydrophobicContact CG2-CB 3.6Å; I39-F540 HydrophobicContact CG2-CD2 4.48Å; I39-F540 HydrophobicContact CG2-CG 4.01Å; L521-F540 HydrophobicContact CD1-CE1 3.99Å; L521-F540 HydrophobicContact CD1-CE2 3.98Å; L521-F540 HydrophobicContact CD1-CZ 3.37Å; L521-F540 HydrophobicContact CG-CE1 3.86Å; L521-F540 HydrophobicContact CG-CZ 3.75Å; E533-F540 HydrophobicContact CB-CD2 4.29Å; E533-F540 HydrophobicContact CG-CD2 4.07Å; E533-F540 PolarHBondContact OE1-N 3.19Å; L536-F540 HydrophobicContact CD1-CE2 4.25Å; L536-F540 HydrophobicContact CD1-CZ 4.28Å; L538-F540 HydrophobicContact CB-CE2 4.34Å; L538-F540 HydrophobicContact CB-CZ 4.47Å; L538-F540 HydrophobicContact CD2-CE1 4Å; L538-F540 HydrophobicContact CD2-CE2 4.33Å; L538-F540 HydrophobicContact CD2-CZ 3.66Å; L538-F540 HydrophobicContact CG-CE2 4.33Å; L538-F540 HydrophobicContact CG-CZ 4.11Å; L538-F540 WeakPolarHBondContact O-CD2 3.41Å; L538-F540 WeakPolarHBondContact O-CE2 3.04Å; F540-I542 PolarHBondContact O-N 3.08Å; F540-I542 VanDerWaalsContact O-N 3.14Å; F540-T543 PolarHBondContact O-OG1 2.9Å
541P94Very high90Very high84 Ų8437.7 Ų37.755%0.54520%0.198SC..SBendtrans-61.8-23-178.626.6-37000113.1K36 H37 K539K36-P541 HydrophobicContact CB-CG 3.8Å; K36-P541 HydrophobicContact CD-CB 4.43Å; K36-P541 HydrophobicContact CD-CG 3.92Å; K36-P541 HydrophobicContact CG-CG 4.32Å; H37-P541 WeakPolarHBondContact O-CD 3.24Å; K539-P541 VanDerWaalsContact O-CD 3.24Å; K539-P541 WeakPolarHBondContact O-CD 3.39Å
542I95.6Very high89.8Confident8 Ų840.8 Ų40.84%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-104.1111.3175.5-59.9168.5000107.6K27 L30 K36 A38 I39 L40 F540K27-I542 HydrophobicContact CB-CG2 4.14Å; K27-I542 HydrophobicContact CD-CG2 4.06Å; L30-I542 HydrophobicContact CB-CD1 4.3Å; L30-I542 HydrophobicContact CD2-CD1 4.13Å; L30-I542 HydrophobicContact CD2-CG1 4.11Å; L30-I542 HydrophobicContact CD2-CG2 4.48Å; L30-I542 HydrophobicContact CG-CD1 3.82Å; L30-I542 HydrophobicContact CG-CG1 4.35Å; K36-I542 HydrophobicContact CB-CD1 4.05Å; A38-I542 CarbonylContact C-O 2.96Å; A38-I542 WeakPolarHBondContact CA-O 3.5Å; A38-I542 HydrophobicContact CB-CB 3.8Å; A38-I542 HydrophobicContact CB-CG2 3.86Å; I39-I542 PolarHBondContact N-O 3.04Å; L40-I542 HydrophobicContact CD2-CG2 4.48Å; F540-I542 PolarHBondContact O-N 3.08Å; F540-I542 VanDerWaalsContact O-N 3.14Å
543T94.4Very high89.9Confident59 Ų5943.4 Ų43.436%0.36223%0.232SC..EExtended strand (participates in β ladder)trans-121.8141.2177-63.70000109.6I39 F540I39-T543 HydrophobicContact CG2-CG2 3.95Å; I39-T543 WeakPolarHBondContact CG2-OG1 3.46Å; I39-T543 WeakPolarHBondContact O-CA 3.4Å; F540-T543 PolarHBondContact O-OG1 2.9Å
544L92.8Very high89.9Confident5 Ų541.7 Ų41.73%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-133.5140.3172.2-17963.1000110.3E23 Y24 K27 I39 L40 E41 N546E23-L544 HydrophobicContact CG-CD1 3.71Å; E23-L544 WeakPolarHBondContact OE1-CD1 3.48Å; Y24-L544 HydrophobicContact CD2-CD2 3.66Å; Y24-L544 HydrophobicContact CG-CD2 4.09Å; K27-L544 HydrophobicContact CB-CD2 4.34Å; K27-L544 HydrophobicContact CG-CB 4.16Å; K27-L544 HydrophobicContact CG-CD1 4.16Å; K27-L544 HydrophobicContact CG-CD2 4.14Å; K27-L544 HydrophobicContact CG-CG 4.39Å; I39-L544 PolarHBondContact O-N 3.1Å; L40-L544 HydrophobicContact CB-CB 4.45Å; L40-L544 HydrophobicContact CD2-CB 3.59Å; L40-L544 HydrophobicContact CD2-CD2 4.34Å; E41-L544 PolarHBondContact N-O 2.67Å; L544-N546 WeakPolarHBondContact CD1-OD1 3.28Å
545R90.6Very high90.1Very high113 Ų11341.9 Ų41.943%0.42622%0.224SC..EExtended strand (participates in β ladder)trans-133.894.4171.1-64.6-178.2-171.7177.43.4108.4V529 E530V529-R545 VanDerWaalsContact CG2-NH2 3.3Å; E530-R545 IonicContact OE1-CZ 2.73Å; E530-R545 IonicContact OE1-NH1 3.56Å; E530-R545 IonicContact OE1-NH2 2.83Å; E530-R545 PolarHBondContact OE1-NH2 3.15Å; E530-R545 IonicContact OE2-NH2 3.65Å
546N87.8Confident90.2Very high8 Ų842.4 Ų42.44%0.04323%0.227CC..PPolyproline II helixtrans-77.3142.9-175.6-91.1-10000111.9C20 E41 S42 P43 L544C20-N546 HydrophobicContact CB-CB 4.29Å; C20-N546 PolarHBondContact O-ND2 3.29Å; E41-N546 PolarHBondContact O-N 3.4Å; S42-N546 PolarHBondContact OG-ND2 3.34Å; P43-N546 VanDerWaalsContact CD-O 3.26Å; P43-N546 WeakPolarHBondContact CD-O 3.45Å; L544-N546 WeakPolarHBondContact CD1-OD1 3.28Å
547P86.1Confident90.3Very high82 Ų8242.5 Ų42.553%0.53223%0.227SC..PPolyproline II helixtrans-66.9165.1163.931.1-34.6000110.9C20C20-P547 HydrophobicContact CB-CG 4.37Å
548H85Confident90.7Very high21 Ų2139.6 Ų39.610%0.09721%0.212CC..PPolyproline II helixtrans-75.4149.4170.3-157.8-62.5000110.4P43 T44 I550 I754 W782P43-H548 HydrophobicContact CB-CB 4.32Å; P43-H548 VanDerWaalsContact CB-CD2 3.47Å; P43-H548 WeakPolarHBondContact CB-CD2 3.37Å; P43-H548 HydrophobicContact CG-CB 4.19Å; T44-H548 PolarHBondContact O-NE2 3.42Å; H548-I550 VanDerWaalsContact C-N 3.27Å; H548-I550 HydrophobicContact CB-CG1 4.31Å; H548-I550 WeakPolarHBondContact ND1-CG1 3.16Å; H548-I550 PolarHBondContact ND1-N 3.34Å; H548-I550 VanDerWaalsContact ND1-N 3.2Å; H548-I550 PolarHBondContact O-N 3.39Å; H548-I754 WeakPolarHBondContact CE1-CG2 3.35Å; H548-W782 HydrophobicContact CB-CB 3.93Å; H548-W782 HydrophobicContact CB-CD2 4.15Å; H548-W782 HydrophobicContact CB-CE3 4.13Å; H548-W782 HydrophobicContact CB-CG 4.08Å; H548-W782 AromaticContact CD2-CD2 3.71Å; H548-W782 AromaticContact CD2-CE2 3.9Å; H548-W782 AromaticContact CD2-CE3 3.69Å; H548-W782 AromaticContact CD2-CZ3 3.86Å
549V85Confident91Very high27 Ų2739.1 Ų39.116%0.16421%0.209CC..SBendtrans-74.5-9.7178.567.30000114.5Y18 T46Y18-V549 HydrophobicContact CD1-CG2 3.95Å; Y18-V549 HydrophobicContact CD2-CG2 3.53Å; Y18-V549 HydrophobicContact CE1-CG2 4.09Å; Y18-V549 HydrophobicContact CE2-CG2 3.7Å; Y18-V549 HydrophobicContact CG-CG2 3.68Å; T46-V549 HydrophobicContact CG2-CB 4.5Å
550I87.5Confident91.4Very high20 Ų2032.6 Ų32.610%0.10318%0.181CC..SBendtrans-86.9155-176.163.9178.9000110.2H548 Q554 L555 I754 W782H548-I550 VanDerWaalsContact C-N 3.27Å; H548-I550 HydrophobicContact CB-CG1 4.31Å; H548-I550 WeakPolarHBondContact ND1-CG1 3.16Å; H548-I550 PolarHBondContact ND1-N 3.34Å; H548-I550 VanDerWaalsContact ND1-N 3.2Å; H548-I550 PolarHBondContact O-N 3.39Å; I550-Q554 HydrophobicContact CB-CB 4.15Å; I550-Q554 HydrophobicContact CD1-CB 4.17Å; I550-L555 HydrophobicContact CD1-CB 4.07Å; I550-I754 HydrophobicContact CD1-CD1 4.39Å; I550-I754 HydrophobicContact CD1-CG1 4.17Å; I550-I754 HydrophobicContact CD1-CG2 4.16Å; I550-I754 HydrophobicContact CG2-CG2 3.57Å; I550-W782 HydrophobicContact CD1-CZ3 4.36Å
551N88.4Confident91.5Very high87 Ų8732.8 Ų32.847%0.46518%0.183SC..  trans-66.6147.4167-67.9-47.3000110.5D553 Q554 Y811N551-D553 WeakPolarHBondContact CB-OD1 3.29Å; N551-D553 PolarHBondContact O-N 3.24Å; N551-Q554 HydrophobicContact CB-CG 4.45Å; N551-Q554 WeakPolarHBondContact O-CB 3.2Å; N551-Q554 PolarHBondContact O-N 2.87Å; N551-Y811 PolarHBondContact ND2-OH 3.05Å
552P86.6Confident91.6Very high82 Ų8233.6 Ų33.653%0.53218%0.175SC..THydrogen-bonded Turntrans-67-7.5-173.3-17.530.2000115.1K786P552-K786 VanDerWaalsContact O-CE 3.29Å; P552-K786 WeakPolarHBondContact O-CE 3.33Å; P552-K786 PolarHBondContact O-NZ 2.97Å; P552-K786 VanDerWaalsContact O-NZ 3.15Å
553D90.9Very high91.6Very high54 Ų5433.5 Ų33.529%0.28918%0.176SC..THydrogen-bonded Turntrans-90.4-15.8175.765.9-35.9000113.4N551 L555 F803 M807 K810N551-D553 WeakPolarHBondContact CB-OD1 3.29Å; N551-D553 PolarHBondContact O-N 3.24Å; D553-L555 PolarHBondContact O-N 2.96Å; D553-F803 VanDerWaalsContact O-CE2 3.27Å; D553-F803 WeakPolarHBondContact O-CE2 3.26Å; D553-M807 HydrophobicContact CB-CE 4.07Å; D553-M807 WeakPolarHBondContact O-CE 3.46Å; D553-K810 IonicContact OD2-NZ 2.86Å; D553-K810 PolarHBondContact OD2-NZ 3.38Å
554Q92.4Very high91.5Very high1 Ų132.9 Ų32.91%0.00517%0.173CC..SBendtrans-74.9-5.1179.7-70.3173.6-105.400114.1I550 N551 Y757 D759 Y760 G761 F803 M807 Y811I550-Q554 HydrophobicContact CB-CB 4.15Å; I550-Q554 HydrophobicContact CD1-CB 4.17Å; N551-Q554 HydrophobicContact CB-CG 4.45Å; N551-Q554 WeakPolarHBondContact O-CB 3.2Å; N551-Q554 PolarHBondContact O-N 2.87Å; Q554-Y757 PolarHBondContact NE2-O 2.95Å; Q554-Y757 PolarHBondContact OE1-O 3.3Å; Q554-D759 PolarHBondContact NE2-O 2.9Å; Q554-Y760 VanDerWaalsContact O-CA 3.24Å; Q554-Y760 WeakPolarHBondContact O-CA 3.32Å; Q554-Y760 VanDerWaalsContact O-CB 3.3Å; Q554-Y760 WeakPolarHBondContact O-CB 3.34Å; Q554-G761 PolarHBondContact O-N 3.36Å; Q554-G761 VanDerWaalsContact O-N 3.14Å; Q554-F803 WeakPolarHBondContact O-CZ 3.47Å; Q554-M807 HydrophobicContact CG-SD 4.26Å; Q554-Y811 VanDerWaalsContact CD-CZ 3.5Å; Q554-Y811 HydrophobicContact CG-CD2 4.21Å; Q554-Y811 HydrophobicContact CG-CE2 3.46Å; Q554-Y811 VanDerWaalsContact CG-CE2 3.46Å; Q554-Y811 PolarHBondContact OE1-OH 3.28Å
555L92.3Very high91.5Very high11 Ų1136.1 Ų36.16%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-127.7128.8178.1-170.680.9000110.8I550 D553 I754 I763 W782 M783I550-L555 HydrophobicContact CD1-CB 4.07Å; D553-L555 PolarHBondContact O-N 2.96Å; L555-I754 HydrophobicContact CD1-CD1 4.21Å; L555-I754 HydrophobicContact CD1-CG1 3.97Å; L555-I763 HydrophobicContact CD1-CD1 3.57Å; L555-I763 HydrophobicContact CD1-CG1 4.19Å; L555-I763 HydrophobicContact CD2-CD1 3.99Å; L555-I763 HydrophobicContact CG-CD1 4.12Å; L555-W782 HydrophobicContact CD1-CH2 4.46Å; L555-W782 HydrophobicContact CD1-CZ3 4.18Å; L555-W782 HydrophobicContact CD2-CE3 4.05Å; L555-W782 HydrophobicContact CD2-CH2 4.13Å; L555-W782 HydrophobicContact CD2-CZ3 3.41Å; L555-W782 VanDerWaalsContact CD2-CZ3 3.41Å; L555-W782 HydrophobicContact CG-CZ3 4.27Å; L555-M783 HydrophobicContact CD2-CG 4.38Å
556N93.2Very high91.6Very high15 Ų1532.3 Ų32.38%0.0819%0.187CC..EExtended strand (participates in β ladder)trans-110.8123.2164-173.7-23.9000109.3S558 G761 I762 I763 F803N556-S558 PolarHBondContact OD1-OG 3.38Å; N556-G761 PolarHBondContact N-O 2.75Å; N556-I762 HydrophobicContact CB-CB 4.46Å; N556-I762 HydrophobicContact CB-CD1 4.21Å; N556-I762 HydrophobicContact CB-CG1 3.97Å; N556-I762 HydrophobicContact CB-CG2 4.16Å; N556-I762 CarbonylContact O-C 3.56Å; N556-I762 VanDerWaalsContact O-CA 3.32Å; N556-I762 WeakPolarHBondContact O-CA 2.97Å; N556-I762 WeakPolarHBondContact O-CG2 3.19Å; N556-I763 PolarHBondContact O-N 3.39Å; N556-F803 HydrophobicContact CB-CD2 3.8Å; N556-F803 HydrophobicContact CB-CE2 3.93Å; N556-F803 HydrophobicContact CB-CG 4.25Å; N556-F803 HydrophobicContact CB-CZ 4.5Å
557L94.5Very high91.9Very high1 Ų136.3 Ų36.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-114.1106.6174.5-165.2165.9000109.2I559 I763 L765 L779 M783 K786 C787 K788L557-I559 HydrophobicContact CD2-CG1 3.98Å; L557-I763 WeakPolarHBondContact CA-O 3.31Å; L557-I763 HydrophobicContact CD1-CD1 4.34Å; L557-I763 HydrophobicContact CG-CB 4.18Å; L557-I763 HydrophobicContact CG-CD1 4.46Å; L557-I763 HydrophobicContact CG-CG2 4.33Å; L557-L765 HydrophobicContact CD2-CD1 3.78Å; L557-L765 HydrophobicContact CD2-CG 4.05Å; L557-L779 HydrophobicContact CD1-CD1 4.18Å; L557-M783 HydrophobicContact CD1-CB 3.81Å; L557-M783 HydrophobicContact CD1-CG 4.33Å; L557-M783 HydrophobicContact CD1-SD 4.24Å; L557-K786 HydrophobicContact CB-CB 4.4Å; L557-C787 HydrophobicContact CD2-CB 4.3Å; L557-K788 PolarHBondContact O-N 3.37Å
558S95.7Very high92.3Very high0 Ų037.3 Ų37.30%020%0.201CC..EExtended strand (participates in β ladder)trans-107.2121.6-176.7-68.20000110.8N556 I763 Y764 L765 Y790N556-S558 PolarHBondContact OD1-OG 3.38Å; S558-I763 PolarHBondContact N-O 3.5Å; S558-Y764 CarbonylContact O-C 3.6Å; S558-Y764 WeakPolarHBondContact O-CA 3.36Å; S558-L765 PolarHBondContact O-N 3.09Å; S558-Y790 VanDerWaalsContact OG-CE2 3.25Å; S558-Y790 WeakPolarHBondContact OG-CE2 3.39Å
559I96.5Very high92.8Very high0 Ų036.3 Ų36.30%020%0.196CC..EExtended strand (participates in β ladder)trans-95.6122.7173.4-61.7169.1000108.2L557 P561 L765 F770 A771 Q776 C787 K788 V789 Y790L557-I559 HydrophobicContact CD2-CG1 3.98Å; I559-P561 WeakPolarHBondContact O-CD 3.31Å; I559-L765 HydrophobicContact CG1-CB 4.2Å; I559-L765 HydrophobicContact CG1-CD1 4.19Å; I559-F770 HydrophobicContact CG1-CB 4.4Å; I559-F770 HydrophobicContact CG2-CB 3.71Å; I559-A771 HydrophobicContact CG2-CB 4.24Å; I559-Q776 HydrophobicContact CD1-CG 4.04Å; I559-C787 HydrophobicContact CD1-CB 3.91Å; I559-K788 PolarHBondContact N-O 2.9Å; I559-V789 HydrophobicContact CB-CG2 4.12Å; I559-V789 HydrophobicContact CD1-CG2 4.07Å; I559-V789 HydrophobicContact CG2-CG1 4.46Å; I559-V789 HydrophobicContact CG2-CG2 4.38Å; I559-Y790 PolarHBondContact O-N 2.83Å
560I96.9Very high93.2Very high0 Ų036 Ų360%019%0.194CC..  trans-118.694.1-174.9-51.2-180000108.6R562 L569 L588 L592 Y764 L765 D767 V793 V796I560-R562 WeakPolarHBondContact CG2-O 3.47Å; I560-L569 HydrophobicContact CG2-CD1 4.18Å; I560-L588 HydrophobicContact CD1-CD1 4.08Å; I560-L588 HydrophobicContact CD1-CD2 4.31Å; I560-L588 HydrophobicContact CG2-CD1 4.21Å; I560-L588 HydrophobicContact CG2-CD2 4.06Å; I560-L592 HydrophobicContact CD1-CD1 3.84Å; I560-Y764 HydrophobicContact CD1-CD1 3.89Å; I560-Y764 HydrophobicContact CD1-CG 4.48Å; I560-L765 PolarHBondContact N-O 3.38Å; I560-D767 PolarHBondContact O-N 3.03Å; I560-V793 HydrophobicContact CG2-CG2 4.41Å; I560-V796 HydrophobicContact CD1-CG1 3.96Å; I560-V796 HydrophobicContact CD1-CG2 4.19Å; I560-V796 HydrophobicContact CG1-CG2 4.19Å
561P96.3Very high93.5Very high11 Ų1135.6 Ų35.67%0.07119%0.193CC..  trans-76.8-18.6179.730.5-36.6000114.1I559 L569 E768 V789 Y790I559-P561 WeakPolarHBondContact O-CD 3.31Å; P561-L569 PolarHBondContact O-N 2.93Å; P561-E768 HydrophobicContact CB-CB 3.87Å; P561-V789 HydrophobicContact CG-CG1 4.25Å; P561-Y790 VanDerWaalsContact CD-O 3.29Å; P561-Y790 WeakPolarHBondContact CD-O 3.08Å
562R96.1Very high93.6Very high101 Ų10133.4 Ų33.438%0.38118%0.183SC..BIsolated β-bridgetrans-137.5144.9-175.1-66.9178.3-179.7-102.67.7111.5I560 G566 E567 K568I560-R562 WeakPolarHBondContact CG2-O 3.47Å; R562-G566 PolarHBondContact NH1-O 2.95Å; R562-E567 CarbonylContact C-O 3.53Å; R562-E567 WeakPolarHBondContact CA-O 3.44Å; R562-K568 HydrophobicContact CG-CG 4.49Å
563G94.3Very high93.6Very high5 Ų537.2 Ų37.25%0.05219%0.188CC..  trans-82.5-179.5175.500000113.3D565 G566 E567 S584G563-D565 PolarHBondContact O-N 3.28Å; G563-G566 PolarHBondContact O-N 3.1Å; G563-E567 PolarHBondContact N-O 3.02Å; G563-S584 WeakPolarHBondContact CA-OG 3.45Å
564P93Very high93.4Very high47 Ų4739.2 Ų39.231%0.30521%0.206SC..THydrogen-bonded Turntrans-63.4-26.4-174.7-22.133.3000114.2G566 L587 L588 V793P564-G566 VanDerWaalsContact C-N 3.3Å; P564-L587 HydrophobicContact CG-CB 4.06Å; P564-L588 HydrophobicContact CG-CB 4.38Å; P564-V793 HydrophobicContact CG-CB 4.41Å; P564-V793 HydrophobicContact CG-CG1 4.28Å; P564-V793 HydrophobicContact CG-CG2 4.15Å
565D93.2Very high93.2Very high72 Ų7241.3 Ų41.339%0.38522%0.219SC..THydrogen-bonded Turntrans-85.11.5176.153.41.3000113.3G563 E567 S584G563-D565 PolarHBondContact O-N 3.28Å; D565-E567 VanDerWaalsContact C-N 3.25Å; D565-E567 PolarHBondContact O-N 3.15Å; D565-E567 WeakPolarHBondContact OD1-CB 3.45Å; D565-E567 PolarHBondContact OD1-N 2.79Å; D565-S584 VanDerWaalsContact OD1-CB 3.23Å; D565-S584 WeakPolarHBondContact OD1-CB 3.24Å; D565-S584 PolarHBondContact OD1-OG 2.74Å; D565-S584 WeakPolarHBondContact OD2-CA 3.36Å; D565-S584 VanDerWaalsContact OD2-CB 3.29Å; D565-S584 WeakPolarHBondContact OD2-CB 3.4Å
566G92Very high93.1Very high34 Ų3443.4 Ų43.435%0.35123%0.226SC..SBendtrans83.3-5.2-179.800000114.7R562 G563 P564R562-G566 PolarHBondContact NH1-O 2.95Å; G563-G566 PolarHBondContact O-N 3.1Å; P564-G566 VanDerWaalsContact C-N 3.3Å
567E94.1Very high92.8Very high92 Ų9246.8 Ų46.843%0.4324%0.241SC..  trans-60.9141.7175.9-76.5-61.315400111.2R562 G563 D565 L569 A580R562-E567 CarbonylContact C-O 3.53Å; R562-E567 WeakPolarHBondContact CA-O 3.44Å; G563-E567 PolarHBondContact N-O 3.02Å; D565-E567 VanDerWaalsContact C-N 3.25Å; D565-E567 PolarHBondContact O-N 3.15Å; D565-E567 WeakPolarHBondContact OD1-CB 3.45Å; D565-E567 PolarHBondContact OD1-N 2.79Å; E567-L569 PolarHBondContact O-N 2.81Å; E567-A580 HydrophobicContact CG-CB 4.4Å
568K94.3Very high92.8Very high102 Ų10249.6 Ų49.644%0.44326%0.259SS..BIsolated β-bridgetrans-76123.8179.5-69.5-179.8173.9-168.40109.8R562 N570R562-K568 HydrophobicContact CG-CG 4.49Å; K568-N570 PolarHBondContact O-N 2.92Å; K568-N570 VanDerWaalsContact O-N 3.15Å
569L95.4Very high92.7Very high0 Ų053 Ų530%028%0.283CS..  trans-80.6100.9175-58.9-180000108.2I560 P561 E567 Y581 L588 C766 D767 E768I560-L569 HydrophobicContact CG2-CD1 4.18Å; P561-L569 PolarHBondContact O-N 2.93Å; E567-L569 PolarHBondContact O-N 2.81Å; L569-Y581 HydrophobicContact CB-CE2 4.46Å; L569-Y581 HydrophobicContact CD2-CE2 4.43Å; L569-L588 HydrophobicContact CD1-CD2 3.64Å; L569-C766 HydrophobicContact CD1-CB 4.34Å; L569-D767 CarbonylContact O-C 3.44Å; L569-D767 WeakPolarHBondContact O-CA 3.46Å; L569-E768 PolarHBondContact O-N 2.81Å
570N94.6Very high92.6Very high22 Ų2254.8 Ų54.812%0.11830%0.297CS..  trans-136.7107.5175.8-172.5-34.4000109.9K568 T572 V575 E768K568-N570 PolarHBondContact O-N 2.92Å; K568-N570 VanDerWaalsContact O-N 3.15Å; N570-T572 PolarHBondContact O-N 3.28Å; N570-T572 VanDerWaalsContact O-N 3.09Å; N570-T572 VanDerWaalsContact OD1-CB 3.26Å; N570-T572 WeakPolarHBondContact OD1-CB 3.49Å; N570-T572 WeakPolarHBondContact OD1-CG2 3.43Å; N570-T572 PolarHBondContact OD1-N 3.09Å; N570-T572 PolarHBondContact OD1-OG1 3.39Å; N570-V575 HydrophobicContact CB-CG1 4.49Å; N570-V575 WeakPolarHBondContact O-CB 3.41Å; N570-V575 WeakPolarHBondContact O-CG1 3.36Å; N570-E768 HydrophobicContact CB-CG 4.27Å; N570-E768 PolarHBondContact ND2-OE1 2.91Å
571A92.8Very high92.5Very high10 Ų1055 Ų558%0.08330%0.298CS..  trans-80.721.8-176.800000113.9Y581 F609 D767A571-Y581 WeakPolarHBondContact CB-OH 3.41Å; A571-F609 HydrophobicContact CB-CE1 4.32Å; A571-F609 HydrophobicContact CB-CZ 4.44Å; A571-D767 PolarHBondContact N-OD2 3.01Å
572T91.3Very high92.4Very high41 Ų4156.1 Ų56.125%0.25230%0.301SS..SBendtrans-64.4156173.245.40000111.3N570 S574 V575 R576N570-T572 PolarHBondContact O-N 3.28Å; N570-T572 VanDerWaalsContact O-N 3.09Å; N570-T572 VanDerWaalsContact OD1-CB 3.26Å; N570-T572 WeakPolarHBondContact OD1-CB 3.49Å; N570-T572 WeakPolarHBondContact OD1-CG2 3.43Å; N570-T572 PolarHBondContact OD1-N 3.09Å; N570-T572 PolarHBondContact OD1-OG1 3.39Å; T572-S574 PolarHBondContact O-N 3.48Å; T572-V575 PolarHBondContact O-N 3.17Å; T572-V575 VanDerWaalsContact O-N 3.08Å; T572-R576 VanDerWaalsContact O-CB 3.32Å; T572-R576 WeakPolarHBondContact O-CB 3.45Å; T572-R576 WeakPolarHBondContact O-CG 3.47Å; T572-R576 PolarHBondContact O-N 2.79Å
573Y85.7Confident92.4Very high162 Ų16254 Ų5464%0.63530%0.297SS*.THydrogen-bonded Turntrans-52.5-39.5-178.8-173.5-88.6000112.9V575Y573-V575 VanDerWaalsContact C-N 3.33Å; Y573-V575 PolarHBondContact O-N 3.24Å
574S86.7Confident92.5Very high96 Ų9653.8 Ų53.867%0.67130%0.295SS*.THydrogen-bonded Turntrans-70.7-22.8-178.451.70000114.7T572T572-S574 PolarHBondContact O-N 3.48Å
575V89.3Confident92.7Very high46 Ų4651.5 Ų51.528%0.27928%0.28SS..THydrogen-bonded Turntrans-111.8-35.6-172.8179.50000112N570 T572 Y573 E577 T578 Y581N570-V575 HydrophobicContact CB-CG1 4.49Å; N570-V575 WeakPolarHBondContact O-CB 3.41Å; N570-V575 WeakPolarHBondContact O-CG1 3.36Å; T572-V575 PolarHBondContact O-N 3.17Å; T572-V575 VanDerWaalsContact O-N 3.08Å; Y573-V575 VanDerWaalsContact C-N 3.33Å; Y573-V575 PolarHBondContact O-N 3.24Å; V575-E577 PolarHBondContact O-N 3.06Å; V575-E577 VanDerWaalsContact O-N 3.07Å; V575-T578 WeakPolarHBondContact O-CB 3.29Å; V575-T578 WeakPolarHBondContact O-CG2 3.27Å; V575-T578 PolarHBondContact O-N 3.23Å; V575-T578 PolarHBondContact O-OG1 3.38Å; V575-Y581 HydrophobicContact CG1-CD2 4.27Å; V575-Y581 HydrophobicContact CG1-CG 4.37Å
576R89Confident92.8Very high54 Ų5448.1 Ų48.120%0.20426%0.262CS..THydrogen-bonded Turntrans-63.1-20.7-17175.2-174-176.4179.53.1115.4T572 Y581 R582 F609T572-R576 VanDerWaalsContact O-CB 3.32Å; T572-R576 WeakPolarHBondContact O-CB 3.45Å; T572-R576 WeakPolarHBondContact O-CG 3.47Å; T572-R576 PolarHBondContact O-N 2.79Å; R576-Y581 HydrophobicContact CB-CD1 4.34Å; R576-Y581 HydrophobicContact CB-CE1 4.19Å; R576-R582 PolarHBondContact O-NE 3Å; R576-F609 HydrophobicContact CB-CD2 4.44Å; R576-F609 HydrophobicContact CB-CE2 3.73Å; R576-F609 HydrophobicContact CB-CZ 4.02Å; R576-F609 HydrophobicContact CG-CD2 4.44Å; R576-F609 HydrophobicContact CG-CE2 4.21Å
577E88.2Confident93Very high86 Ų8648.9 Ų48.940%0.40226%0.258SS..THydrogen-bonded Turntrans-89.7-9.1178.6-64.4-175176.800112.7V575V575-E577 PolarHBondContact O-N 3.06Å; V575-E577 VanDerWaalsContact O-N 3.07Å
578T93.6Very high93.1Very high60 Ų6044.5 Ų44.537%0.36824%0.237SC..SBendtrans-69.4143.3176.266.90000111.1V575 A580 Y581 R582V575-T578 WeakPolarHBondContact O-CB 3.29Å; V575-T578 WeakPolarHBondContact O-CG2 3.27Å; V575-T578 PolarHBondContact O-N 3.23Å; V575-T578 PolarHBondContact O-OG1 3.38Å; T578-A580 VanDerWaalsContact C-N 3.31Å; T578-A580 PolarHBondContact O-N 3.45Å; T578-Y581 PolarHBondContact O-N 2.99Å; T578-Y581 VanDerWaalsContact OG1-CB 3.29Å; T578-Y581 WeakPolarHBondContact OG1-CB 3.42Å; T578-Y581 PolarHBondContact OG1-N 3.44Å; T578-R582 PolarHBondContact O-N 2.7Å
579S93.4Very high93.2Very high73 Ų7339.7 Ų39.751%0.5122%0.216SC..Hα-helixtrans-60.4-41.517548.40000111.8Y581 R582 N583 Y616S579-Y581 PolarHBondContact O-N 3.21Å; S579-R582 PolarHBondContact O-N 3.15Å; S579-N583 VanDerWaalsContact O-CB 3.3Å; S579-N583 WeakPolarHBondContact O-CB 3.45Å; S579-N583 PolarHBondContact O-N 3.17Å; S579-Y616 WeakPolarHBondContact CB-OH 3.32Å
580A94.3Very high93.2Very high37 Ų3740.8 Ų40.831%0.30622%0.222SC..Hα-helixtrans-55.5-50.6178.300000111.9E567 T578 N583 S584E567-A580 HydrophobicContact CG-CB 4.4Å; T578-A580 VanDerWaalsContact C-N 3.31Å; T578-A580 PolarHBondContact O-N 3.45Å; A580-N583 PolarHBondContact O-N 3Å; A580-S584 VanDerWaalsContact O-CB 3.24Å; A580-S584 WeakPolarHBondContact O-CB 3.5Å; A580-S584 PolarHBondContact O-N 2.73Å
581Y95.3Very high93.2Very high3 Ų343.3 Ų43.31%0.01223%0.233CC..Hα-helixtrans-61.4-47.4177.7172.2-91.3000112.3L569 A571 V575 R576 T578 S579 N583 S584 L585 F609L569-Y581 HydrophobicContact CB-CE2 4.46Å; L569-Y581 HydrophobicContact CD2-CE2 4.43Å; A571-Y581 WeakPolarHBondContact CB-OH 3.41Å; V575-Y581 HydrophobicContact CG1-CD2 4.27Å; V575-Y581 HydrophobicContact CG1-CG 4.37Å; R576-Y581 HydrophobicContact CB-CD1 4.34Å; R576-Y581 HydrophobicContact CB-CE1 4.19Å; T578-Y581 PolarHBondContact O-N 2.99Å; T578-Y581 VanDerWaalsContact OG1-CB 3.29Å; T578-Y581 WeakPolarHBondContact OG1-CB 3.42Å; T578-Y581 PolarHBondContact OG1-N 3.44Å; S579-Y581 PolarHBondContact O-N 3.21Å; Y581-N583 VanDerWaalsContact C-N 3.34Å; Y581-N583 PolarHBondContact O-N 3.12Å; Y581-S584 PolarHBondContact O-N 3.23Å; Y581-L585 HydrophobicContact CE1-CD2 3.9Å; Y581-L585 VanDerWaalsContact O-CB 3.25Å; Y581-L585 WeakPolarHBondContact O-CB 3.44Å; Y581-L585 PolarHBondContact O-N 3.33Å; Y581-F609 HydrophobicContact CE1-CE2 4.07Å; Y581-F609 AromaticContact CE1-CZ 3.66Å; Y581-F609 HydrophobicContact CE1-CZ 3.66Å
582R95Very high93.4Very high36 Ų3642.8 Ų42.814%0.13623%0.229CC..Hα-helixtrans-64.6-39.1-178.7-67.8-179.9-177.6173.31.2112R576 T578 S579 G586 Y616 W617R576-R582 PolarHBondContact O-NE 3Å; T578-R582 PolarHBondContact O-N 2.7Å; S579-R582 PolarHBondContact O-N 3.15Å; R582-G586 PolarHBondContact O-N 2.94Å; R582-G586 VanDerWaalsContact O-N 3.08Å; R582-Y616 HydrophobicContact CB-CD1 3.47Å; R582-Y616 VanDerWaalsContact CB-CD1 3.47Å; R582-Y616 HydrophobicContact CB-CE1 3.66Å; R582-Y616 HydrophobicContact CB-CG 4.13Å; R582-Y616 HydrophobicContact CG-CD1 4.37Å; R582-W617 PolarHBondContact O-NE1 3.22Å
583N95.5Very high93.5Very high56 Ų5640.9 Ų40.930%0.29922%0.217SC..Hα-helixtrans-67-50.7176.5-17462.7000111.3S579 A580 Y581 L585 G586 L587 Y616S579-N583 VanDerWaalsContact O-CB 3.3Å; S579-N583 WeakPolarHBondContact O-CB 3.45Å; S579-N583 PolarHBondContact O-N 3.17Å; A580-N583 PolarHBondContact O-N 3Å; Y581-N583 VanDerWaalsContact C-N 3.34Å; Y581-N583 PolarHBondContact O-N 3.12Å; N583-L585 VanDerWaalsContact C-N 3.3Å; N583-L585 PolarHBondContact O-N 2.84Å; N583-G586 WeakPolarHBondContact O-CA 3.38Å; N583-G586 PolarHBondContact O-N 3Å; N583-L587 WeakPolarHBondContact O-CG 3.35Å; N583-L587 PolarHBondContact O-N 3.26Å; N583-Y616 HydrophobicContact CB-CE1 4.39Å
584S96.1Very high93.8Very high0 Ų038.1 Ų38.10%021%0.213CC..Hα-helixtrans-55.6-43.9177.8-174.70000112.4G563 D565 A580 Y581 L587 L588G563-S584 WeakPolarHBondContact CA-OG 3.45Å; D565-S584 VanDerWaalsContact OD1-CB 3.23Å; D565-S584 WeakPolarHBondContact OD1-CB 3.24Å; D565-S584 PolarHBondContact OD1-OG 2.74Å; D565-S584 WeakPolarHBondContact OD2-CA 3.36Å; D565-S584 VanDerWaalsContact OD2-CB 3.29Å; D565-S584 WeakPolarHBondContact OD2-CB 3.4Å; A580-S584 VanDerWaalsContact O-CB 3.24Å; A580-S584 WeakPolarHBondContact O-CB 3.5Å; A580-S584 PolarHBondContact O-N 2.73Å; Y581-S584 PolarHBondContact O-N 3.23Å; S584-L587 PolarHBondContact O-N 2.85Å; S584-L588 PolarHBondContact O-N 2.96Å
585L96.3Very high94.1Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-61.4-44.4174.6-171.664.5000112Y581 N583 L588 L589 W617 L688Y581-L585 HydrophobicContact CE1-CD2 3.9Å; Y581-L585 VanDerWaalsContact O-CB 3.25Å; Y581-L585 WeakPolarHBondContact O-CB 3.44Å; Y581-L585 PolarHBondContact O-N 3.33Å; N583-L585 VanDerWaalsContact C-N 3.3Å; N583-L585 PolarHBondContact O-N 2.84Å; L585-L588 PolarHBondContact O-N 2.83Å; L585-L589 WeakPolarHBondContact O-CG 3.44Å; L585-L589 PolarHBondContact O-N 3.24Å; L585-L589 VanDerWaalsContact O-N 3.09Å; L585-W617 HydrophobicContact CB-CZ2 4.35Å; L585-W617 HydrophobicContact CD2-CH2 4.42Å; L585-W617 HydrophobicContact CD2-CZ2 4.04Å; L585-W617 HydrophobicContact CG-CZ2 4.08Å; L585-L688 HydrophobicContact CD1-CD1 4.2Å; L585-L688 HydrophobicContact CD1-CD2 3.89Å; L585-L688 HydrophobicContact CD1-CG 4.44Å; L585-L688 HydrophobicContact CD2-CD1 4.1Å; L585-L688 HydrophobicContact CG-CD1 4.3Å
586G96.5Very high94.3Very high0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-61.5-45176.300000113.1R582 N583 L588 L589 I590R582-G586 PolarHBondContact O-N 2.94Å; R582-G586 VanDerWaalsContact O-N 3.08Å; N583-G586 WeakPolarHBondContact O-CA 3.38Å; N583-G586 PolarHBondContact O-N 3Å; G586-L588 PolarHBondContact O-N 3.09Å; G586-L589 PolarHBondContact O-N 2.87Å; G586-I590 WeakPolarHBondContact O-CG1 3.3Å; G586-I590 PolarHBondContact O-N 3.41Å
587L95.6Very high94.5Very high51 Ų5131.9 Ų31.927%0.26718%0.178SC..Hα-helixtrans-62.1-41.4176.6-67.5176.7000112P564 N583 S584 L589 I590 Q591P564-L587 HydrophobicContact CG-CB 4.06Å; N583-L587 WeakPolarHBondContact O-CG 3.35Å; N583-L587 PolarHBondContact O-N 3.26Å; S584-L587 PolarHBondContact O-N 2.85Å; L587-L589 VanDerWaalsContact C-N 3.35Å; L587-I590 PolarHBondContact O-N 3.3Å; L587-Q591 PolarHBondContact O-N 2.72Å
588L96.7Very high94.7Very high0 Ų028.6 Ų28.60%017%0.165CC..Hα-helixtrans-59-46.9174.2177.263.7000111.5I560 P564 L569 S584 L585 G586 I590 Q591 L592 C766 V793I560-L588 HydrophobicContact CD1-CD1 4.08Å; I560-L588 HydrophobicContact CD1-CD2 4.31Å; I560-L588 HydrophobicContact CG2-CD1 4.21Å; I560-L588 HydrophobicContact CG2-CD2 4.06Å; P564-L588 HydrophobicContact CG-CB 4.38Å; L569-L588 HydrophobicContact CD1-CD2 3.64Å; S584-L588 PolarHBondContact O-N 2.96Å; L585-L588 PolarHBondContact O-N 2.83Å; G586-L588 PolarHBondContact O-N 3.09Å; L588-I590 VanDerWaalsContact C-N 3.32Å; L588-I590 PolarHBondContact O-N 3.48Å; L588-Q591 PolarHBondContact O-N 2.96Å; L588-L592 HydrophobicContact CD1-CD1 3.67Å; L588-L592 HydrophobicContact CD1-CG 4.38Å; L588-L592 HydrophobicContact CG-CD1 4.21Å; L588-L592 PolarHBondContact O-N 3.32Å; L588-C766 HydrophobicContact CD2-CB 4.23Å; L588-V793 HydrophobicContact CD1-CB 4.46Å; L588-V793 HydrophobicContact CD1-CG1 3.56Å; L588-V793 HydrophobicContact CD1-CG2 3.98Å
589L97Very high94.7Very high0 Ų025.7 Ų25.70%015%0.148CC..Hα-helixtrans-61.9-40.4-179.9-70.2178.7000111.6L585 G586 L587 A593 I602 W617 L626 F664 F686 L688L585-L589 WeakPolarHBondContact O-CG 3.44Å; L585-L589 PolarHBondContact O-N 3.24Å; L585-L589 VanDerWaalsContact O-N 3.09Å; G586-L589 PolarHBondContact O-N 2.87Å; L587-L589 VanDerWaalsContact C-N 3.35Å; L589-A593 WeakPolarHBondContact O-CB 3.21Å; L589-A593 PolarHBondContact O-N 2.91Å; L589-I602 HydrophobicContact CD1-CD1 4.1Å; L589-I602 HydrophobicContact CD2-CD1 3.78Å; L589-I602 HydrophobicContact CD2-CG1 4.39Å; L589-I602 HydrophobicContact CD2-CG2 4.43Å; L589-I602 HydrophobicContact CG-CD1 4.47Å; L589-W617 HydrophobicContact CD1-CH2 3.44Å; L589-W617 VanDerWaalsContact CD1-CH2 3.44Å; L589-W617 HydrophobicContact CD1-CZ2 4.08Å; L589-W617 HydrophobicContact CD1-CZ3 3.97Å; L589-L626 HydrophobicContact CB-CD1 4.36Å; L589-L626 HydrophobicContact CB-CD2 3.98Å; L589-F664 HydrophobicContact CD1-CE1 4.31Å; L589-F686 HydrophobicContact CD2-CD1 3.68Å; L589-F686 HydrophobicContact CD2-CD2 4.2Å; L589-F686 HydrophobicContact CD2-CE1 3.87Å; L589-F686 HydrophobicContact CD2-CE2 4.36Å; L589-F686 HydrophobicContact CD2-CG 3.88Å; L589-F686 HydrophobicContact CD2-CZ 4.21Å; L589-L688 HydrophobicContact CD1-CD1 4.3Å; L589-L688 HydrophobicContact CD2-CD2 4.46Å
590I95.4Very high94.8Very high23 Ų2322.2 Ų22.212%0.11812%0.123CC..Hα-helixtrans-59.9-52.5177.2-68162.7000110.4G586 L587 L588 L592 A593 D594 V622 K625 L626G586-I590 WeakPolarHBondContact O-CG1 3.3Å; G586-I590 PolarHBondContact O-N 3.41Å; L587-I590 PolarHBondContact O-N 3.3Å; L588-I590 VanDerWaalsContact C-N 3.32Å; L588-I590 PolarHBondContact O-N 3.48Å; I590-L592 VanDerWaalsContact C-N 3.28Å; I590-L592 PolarHBondContact O-N 3.49Å; I590-A593 PolarHBondContact O-N 3.34Å; I590-D594 PolarHBondContact O-N 2.9Å; I590-V622 HydrophobicContact CD1-CB 4.41Å; I590-V622 HydrophobicContact CD1-CG1 3.99Å; I590-V622 HydrophobicContact CD1-CG2 4.47Å; I590-K625 HydrophobicContact CD1-CB 3.75Å; I590-K625 HydrophobicContact CD1-CD 3.86Å; I590-K625 HydrophobicContact CD1-CG 4.48Å; I590-K625 HydrophobicContact CG1-CB 4.16Å; I590-L626 HydrophobicContact CB-CD2 4.37Å; I590-L626 HydrophobicContact CG1-CD2 3.73Å; I590-L626 HydrophobicContact CG1-CG 3.72Å
591Q94.2Very high94.8Very high75 Ų7520.5 Ų20.535%0.3511%0.109SC..Hα-helixtrans-60.4-36-175.5-72.4-173.9-10.700113.4L587 L588 V797L587-Q591 PolarHBondContact O-N 2.72Å; L588-Q591 PolarHBondContact O-N 2.96Å; Q591-V797 HydrophobicContact CB-CG2 4.27Å
592L95.7Very high94.9Very high0 Ų020.3 Ų20.30%011%0.108CC..Hα-helixtrans-91.8-27.1-178.4-69.6171.6000113.2I560 L588 I590 D594 V595 V596 F686 Y764 V796 V797I560-L592 HydrophobicContact CD1-CD1 3.84Å; L588-L592 HydrophobicContact CD1-CD1 3.67Å; L588-L592 HydrophobicContact CD1-CG 4.38Å; L588-L592 HydrophobicContact CG-CD1 4.21Å; L588-L592 PolarHBondContact O-N 3.32Å; I590-L592 VanDerWaalsContact C-N 3.28Å; I590-L592 PolarHBondContact O-N 3.49Å; L592-D594 VanDerWaalsContact C-N 3.27Å; L592-D594 PolarHBondContact O-N 3.19Å; L592-V595 PolarHBondContact O-N 3.49Å; L592-V596 VanDerWaalsContact O-CG2 3.31Å; L592-V596 WeakPolarHBondContact O-CG2 3.26Å; L592-V596 PolarHBondContact O-N 3.3Å; L592-F686 HydrophobicContact CB-CE1 4.48Å; L592-F686 HydrophobicContact CB-CE2 4.43Å; L592-F686 HydrophobicContact CB-CZ 3.6Å; L592-F686 HydrophobicContact CD1-CE1 3.7Å; L592-F686 HydrophobicContact CD1-CZ 3.55Å; L592-F686 HydrophobicContact CG-CZ 4.22Å; L592-Y764 HydrophobicContact CD1-CD1 4.09Å; L592-Y764 HydrophobicContact CD1-CE1 4.01Å; L592-Y764 HydrophobicContact CD1-CG 4.41Å; L592-Y764 HydrophobicContact CD2-CE1 4.21Å; L592-V796 HydrophobicContact CD1-CG1 4.33Å; L592-V796 HydrophobicContact CD2-CB 4.5Å; L592-V796 HydrophobicContact CD2-CG1 3.9Å; L592-V797 HydrophobicContact CD2-CG2 3.82Å; L592-V797 HydrophobicContact CG-CG2 4.48Å
593A95Very high95Very high0 Ų018.6 Ų18.60%010%0.102CC..Hα-helixtrans-60.5-39.4175.300000111.2L589 I590 V595 L600 L626 K630 I662L589-A593 WeakPolarHBondContact O-CB 3.21Å; L589-A593 PolarHBondContact O-N 2.91Å; I590-A593 PolarHBondContact O-N 3.34Å; A593-V595 VanDerWaalsContact C-N 3.26Å; A593-V595 PolarHBondContact O-N 3.37Å; A593-L600 HydrophobicContact CB-CD2 4.28Å; A593-L626 HydrophobicContact CB-CD2 4.14Å; A593-K630 WeakPolarHBondContact O-CE 3.42Å; A593-I662 HydrophobicContact CB-CD1 4.2Å
594D91.1Very high95Very high104 Ų10416 Ų1656%0.5569%0.087SC*.THydrogen-bonded Turntrans-63.3-31.5178.4-73.5-22000113.2I590 L592 S629I590-D594 PolarHBondContact O-N 2.9Å; L592-D594 VanDerWaalsContact C-N 3.27Å; L592-D594 PolarHBondContact O-N 3.19Å; D594-S629 WeakPolarHBondContact OD1-CB 3.38Å; D594-S629 PolarHBondContact OD1-OG 3.03Å
595V93.3Very high94.9Very high36 Ų3617.2 Ų17.222%0.21810%0.096CC..THydrogen-bonded Turntrans-90.6-32.8-175.4-169.80000112.5L592 A593 P597 V797 T800 D801L592-V595 PolarHBondContact O-N 3.49Å; A593-V595 VanDerWaalsContact C-N 3.26Å; A593-V595 PolarHBondContact O-N 3.37Å; V595-P597 WeakPolarHBondContact O-CD 3.46Å; V595-V797 HydrophobicContact CG2-CG1 3.86Å; V595-T800 HydrophobicContact CB-CG2 4.01Å; V595-T800 HydrophobicContact CG1-CG2 3.59Å; V595-D801 HydrophobicContact CG1-CB 3.66Å
596V94.2Very high94.7Very high1 Ų119 Ų191%0.00611%0.108CC..SBendtrans-74.3120.6179.8177.90000109.7L592 L600 K630 R683 Y764 T800 F804L592-V596 VanDerWaalsContact O-CG2 3.31Å; L592-V596 WeakPolarHBondContact O-CG2 3.26Å; L592-V596 PolarHBondContact O-N 3.3Å; V596-L600 HydrophobicContact CB-CD1 4.18Å; V596-L600 HydrophobicContact CG1-CD1 3.82Å; V596-L600 HydrophobicContact CG2-CD1 4.2Å; V596-K630 WeakPolarHBondContact O-CE 3.28Å; V596-K630 PolarHBondContact O-NZ 2.96Å; V596-R683 HydrophobicContact CG1-CB 4.29Å; V596-Y764 HydrophobicContact CG2-CE2 3.98Å; V596-T800 HydrophobicContact CG2-CG2 4.11Å; V596-F804 HydrophobicContact CB-CE2 4.25Å; V596-F804 HydrophobicContact CG1-CE2 4.13Å; V596-F804 HydrophobicContact CG1-CZ 4.03Å; V596-F804 HydrophobicContact CG2-CE2 4Å
597P92.2Very high94.5Very high29 Ų2921.4 Ų21.419%0.18812%0.118CC..  trans-73156.7179.130.6-34.7000112V595 G599 R683 F804V595-P597 WeakPolarHBondContact O-CD 3.46Å; P597-G599 PolarHBondContact O-N 2.75Å; P597-R683 HydrophobicContact CG-CB 4.44Å; P597-R683 HydrophobicContact CG-CG 4.41Å; P597-R683 WeakPolarHBondContact O-CB 3.45Å; P597-F804 VanDerWaalsContact CD-CD2 3.47Å; P597-F804 HydrophobicContact CG-CB 4.45Å; P597-F804 HydrophobicContact CG-CD1 3.71Å; P597-F804 HydrophobicContact CG-CD2 4.31Å; P597-F804 HydrophobicContact CG-CE1 3.97Å; P597-F804 HydrophobicContact CG-CG 3.9Å; P597-F804 HydrophobicContact CG-CZ 4.38Å
598A92.6Very high94.4Very high16 Ų1622 Ų2213%0.13213%0.126CC..SBendtrans56.8-129.9169.700000113.7K630 A653 G660 A661 N680 R683A598-K630 PolarHBondContact O-NZ 3.05Å; A598-K630 VanDerWaalsContact O-NZ 3.1Å; A598-A653 WeakPolarHBondContact CB-O 3.31Å; A598-G660 WeakPolarHBondContact O-CA 3.48Å; A598-A661 PolarHBondContact O-N 3.42Å; A598-N680 HydrophobicContact CB-CB 3.81Å; A598-N680 VanDerWaalsContact CB-O 3.28Å; A598-N680 WeakPolarHBondContact CB-O 3.42Å; A598-R683 HydrophobicContact CB-CG 4.38Å
599G93.5Very high94.2Very high0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-79127.3-175.900000114.3P597 Y649 A661 N680 G682 R683 G684P597-G599 PolarHBondContact O-N 2.75Å; G599-Y649 WeakPolarHBondContact CA-OH 3.33Å; G599-A661 CarbonylContact C-O 3.08Å; G599-A661 WeakPolarHBondContact CA-O 3.38Å; G599-N680 WeakPolarHBondContact CA-O 3.46Å; G599-N680 PolarHBondContact N-O 3.26Å; G599-G682 CarbonylContact O-C 3.47Å; G599-R683 PolarHBondContact O-N 2.89Å; G599-G684 PolarHBondContact O-N 3.15Å
600L95.1Very high94.1Very high0 Ų022.2 Ų22.20%013%0.127CC..EExtended strand (participates in β ladder)trans-117.3131.1172.2-173.571.6000110.4A593 V596 I602 K630 Y649 A661 I662 L663 G684 F686A593-L600 HydrophobicContact CB-CD2 4.28Å; V596-L600 HydrophobicContact CB-CD1 4.18Å; V596-L600 HydrophobicContact CG1-CD1 3.82Å; V596-L600 HydrophobicContact CG2-CD1 4.2Å; L600-I602 HydrophobicContact CD2-CD1 4.1Å; L600-I602 HydrophobicContact CD2-CG1 4.21Å; L600-I602 HydrophobicContact CG-CG1 4.27Å; L600-K630 HydrophobicContact CB-CD 4.36Å; L600-Y649 PolarHBondContact N-OH 3.16Å; L600-Y649 PolarHBondContact O-OH 3.38Å; L600-A661 PolarHBondContact N-O 3.03Å; L600-I662 HydrophobicContact CB-CG1 4.21Å; L600-I662 HydrophobicContact CD2-CD1 4.49Å; L600-I662 HydrophobicContact CD2-CG1 4.17Å; L600-I662 CarbonylContact O-C 3.55Å; L600-I662 WeakPolarHBondContact O-CA 3.39Å; L600-L663 PolarHBondContact O-N 3.14Å; L600-G684 WeakPolarHBondContact CD1-O 3.32Å; L600-F686 HydrophobicContact CD1-CD2 3.67Å; L600-F686 HydrophobicContact CD1-CE2 3.53Å; L600-F686 HydrophobicContact CD2-CD2 3.93Å; L600-F686 HydrophobicContact CD2-CE2 3.67Å; L600-F686 HydrophobicContact CG-CD2 3.98Å; L600-F686 HydrophobicContact CG-CE2 4.03Å
601L95.2Very high94.1Very high0 Ų023.4 Ų23.40%014%0.138CC..EExtended strand (participates in β ladder)trans-107.2130177.6-56.6175.3000109.4F603 Y649 L663 L677 G684 V685 F686 R752L601-F603 HydrophobicContact CB-CD2 4.48Å; L601-F603 HydrophobicContact CB-CE2 4.01Å; L601-F603 HydrophobicContact CD1-CE2 4.34Å; L601-Y649 HydrophobicContact CD2-CE1 3.95Å; L601-Y649 WeakPolarHBondContact CD2-OH 3.07Å; L601-L663 HydrophobicContact CD2-CB 3.94Å; L601-L663 HydrophobicContact CD2-CD2 4.1Å; L601-L677 HydrophobicContact CD1-CD1 3.46Å; L601-L677 VanDerWaalsContact CD1-CD1 3.46Å; L601-L677 HydrophobicContact CD2-CD1 3.8Å; L601-L677 HydrophobicContact CG-CD1 4.26Å; L601-G684 PolarHBondContact N-O 2.91Å; L601-V685 HydrophobicContact CB-CG2 3.8Å; L601-V685 HydrophobicContact CD1-CG2 3.77Å; L601-V685 HydrophobicContact CG-CG2 4.26Å; L601-V685 CarbonylContact O-C 3.59Å; L601-V685 WeakPolarHBondContact O-CA 3.25Å; L601-F686 PolarHBondContact O-N 3.37Å; L601-R752 HydrophobicContact CD1-CB 4.45Å
602I96.6Very high94.1Very high0 Ų022.3 Ų22.30%013%0.132CC..EExtended strand (participates in β ladder)trans-123.9107.1-178.9-58177.7000109.3L589 L600 F604 I662 L663 F664 A665 F686 L688L589-I602 HydrophobicContact CD1-CD1 4.1Å; L589-I602 HydrophobicContact CD2-CD1 3.78Å; L589-I602 HydrophobicContact CD2-CG1 4.39Å; L589-I602 HydrophobicContact CD2-CG2 4.43Å; L589-I602 HydrophobicContact CG-CD1 4.47Å; L600-I602 HydrophobicContact CD2-CD1 4.1Å; L600-I602 HydrophobicContact CD2-CG1 4.21Å; L600-I602 HydrophobicContact CG-CG1 4.27Å; I602-F604 HydrophobicContact CG2-CE2 4.04Å; I602-F604 HydrophobicContact CG2-CZ 4.45Å; I602-I662 HydrophobicContact CD1-CG2 3.54Å; I602-I662 HydrophobicContact CG1-CG2 4.11Å; I602-L663 PolarHBondContact N-O 2.94Å; I602-F664 HydrophobicContact CB-CD1 3.69Å; I602-F664 HydrophobicContact CB-CE1 4.04Å; I602-F664 HydrophobicContact CD1-CD1 3.99Å; I602-F664 HydrophobicContact CD1-CE1 3.49Å; I602-F664 VanDerWaalsContact CD1-CE1 3.49Å; I602-F664 HydrophobicContact CD1-CZ 4.19Å; I602-F664 HydrophobicContact CG1-CD1 4.39Å; I602-F664 HydrophobicContact CG1-CE1 4.35Å; I602-F664 HydrophobicContact CG2-CD1 3.76Å; I602-F664 HydrophobicContact CG2-CE1 3.9Å; I602-A665 PolarHBondContact O-N 3.36Å; I602-F686 HydrophobicContact CB-CB 4.33Å; I602-F686 HydrophobicContact CG1-CB 4.13Å; I602-F686 HydrophobicContact CG1-CD2 4.09Å; I602-F686 HydrophobicContact CG1-CG 4.38Å; I602-F686 HydrophobicContact CG2-CB 4.12Å; I602-L688 HydrophobicContact CG2-CD1 3.36Å; I602-L688 HydrophobicContact CG2-CG 3.87Å
603F96.7Very high94.1Very high0 Ų022.3 Ų22.30%013%0.132CC..EExtended strand (participates in β ladder)trans-97.6124-176.3-73.3-78.1000112.6L601 A665 M667 V671 V685 F686 I687 L688 A749L601-F603 HydrophobicContact CB-CD2 4.48Å; L601-F603 HydrophobicContact CB-CE2 4.01Å; L601-F603 HydrophobicContact CD1-CE2 4.34Å; F603-A665 CarbonylContact C-O 3.52Å; F603-A665 WeakPolarHBondContact CA-O 3.44Å; F603-A665 HydrophobicContact CD1-CB 3.65Å; F603-A665 HydrophobicContact CE1-CB 3.6Å; F603-A665 HydrophobicContact CG-CB 4.44Å; F603-A665 HydrophobicContact CZ-CB 4.37Å; F603-M667 HydrophobicContact CB-CG 3.83Å; F603-M667 HydrophobicContact CD1-CG 4.41Å; F603-M667 HydrophobicContact CG-CG 4.39Å; F603-V671 HydrophobicContact CE1-CB 4.17Å; F603-V671 HydrophobicContact CE1-CG1 4.04Å; F603-V671 HydrophobicContact CZ-CG1 3.94Å; F603-V685 HydrophobicContact CD2-CG1 3.99Å; F603-V685 HydrophobicContact CE2-CG1 4.28Å; F603-V685 HydrophobicContact CE2-CG2 4.3Å; F603-F686 PolarHBondContact N-O 3.26Å; F603-I687 HydrophobicContact CB-CD1 3.99Å; F603-I687 HydrophobicContact CD2-CD1 4.09Å; F603-I687 HydrophobicContact CG-CD1 4.38Å; F603-L688 PolarHBondContact O-N 2.83Å; F603-A749 HydrophobicContact CD1-CB 4.26Å; F603-A749 HydrophobicContact CD2-CB 3.95Å; F603-A749 HydrophobicContact CE1-CB 4.36Å; F603-A749 HydrophobicContact CE2-CB 4.03Å; F603-A749 HydrophobicContact CG-CB 4.06Å; F603-A749 HydrophobicContact CZ-CB 4.23Å
604F96.3Very high94.2Very high0 Ų022.6 Ų22.60%013%0.134CC..EExtended strand (participates in β ladder)trans-98.4152.7171.3-68.3-93.4000112.4I602 S606 F609 M610 C613 W617 F664 A665 V666 M667 L688I602-F604 HydrophobicContact CG2-CE2 4.04Å; I602-F604 HydrophobicContact CG2-CZ 4.45Å; F604-S606 VanDerWaalsContact C-N 3.29Å; F604-S606 PolarHBondContact O-N 3.29Å; F604-F609 AromaticContact CD1-CD1 3.93Å; F604-F609 HydrophobicContact CD1-CD1 3.93Å; F604-F609 HydrophobicContact CD1-CE1 4.03Å; F604-M610 HydrophobicContact CB-CB 3.9Å; F604-M610 HydrophobicContact CD1-CB 4.24Å; F604-M610 HydrophobicContact CD2-CB 3.65Å; F604-M610 HydrophobicContact CD2-CG 3.49Å; F604-M610 VanDerWaalsContact CD2-CG 3.49Å; F604-M610 HydrophobicContact CD2-SD 4.05Å; F604-M610 HydrophobicContact CE2-CB 4.14Å; F604-M610 HydrophobicContact CE2-CG 3.65Å; F604-M610 HydrophobicContact CE2-SD 4.45Å; F604-M610 HydrophobicContact CG-CB 3.68Å; F604-M610 HydrophobicContact CG-CG 4.08Å; F604-M610 HydrophobicContact CZ-CG 4.38Å; F604-C613 HydrophobicContact CE1-CB 3.9Å; F604-C613 HydrophobicContact CZ-CB 4.27Å; F604-W617 HydrophobicContact CE1-CH2 4.27Å; F604-W617 AromaticContact CZ-CH2 3.8Å; F604-W617 HydrophobicContact CZ-CH2 3.8Å; F604-W617 AromaticContact CZ-CZ3 3.96Å; F604-W617 HydrophobicContact CZ-CZ3 3.96Å; F604-F664 HydrophobicContact CE2-CB 4.36Å; F604-F664 AromaticContact CE2-CD1 3.51Å; F604-F664 HydrophobicContact CE2-CD1 3.51Å; F604-F664 HydrophobicContact CE2-CE1 4.11Å; F604-F664 HydrophobicContact CE2-CG 4.26Å; F604-F664 HydrophobicContact CZ-CD1 4.17Å; F604-F664 HydrophobicContact CZ-CE1 4.33Å; F604-A665 PolarHBondContact N-O 2.88Å; F604-V666 WeakPolarHBondContact O-CA 3.2Å; F604-M667 PolarHBondContact O-N 3.12Å; F604-L688 HydrophobicContact CD1-CB 4.43Å; F604-L688 HydrophobicContact CD1-CD1 4.18Å; F604-L688 HydrophobicContact CE1-CD1 3.7Å; F604-L688 HydrophobicContact CE2-CD1 4.29Å; F604-L688 HydrophobicContact CZ-CD1 3.77Å
605P94.2Very high94.4Very high27 Ų2722.7 Ų22.718%0.17513%0.131CC..SBendtrans-56.3-30.8170.4-32.834.1000116.4F609 M667 L688 P691P605-F609 HydrophobicContact CB-CD1 4.37Å; P605-F609 HydrophobicContact CG-CD1 4.06Å; P605-F609 HydrophobicContact CG-CE1 4.22Å; P605-M667 HydrophobicContact CB-CE 4.36Å; P605-M667 HydrophobicContact CG-CE 3.86Å; P605-L688 WeakPolarHBondContact CD-O 3.49Å; P605-L688 WeakPolarHBondContact CG-O 3.49Å; P605-P691 HydrophobicContact CB-CB 4.5Å
606S92.6Very high94.5Very high38 Ų3824.6 Ų24.627%0.26614%0.135SC..  trans-158.8157-178.2700000111.8F604 S608 F609 M610F604-S606 VanDerWaalsContact C-N 3.29Å; F604-S606 PolarHBondContact O-N 3.29Å; S606-S608 VanDerWaalsContact C-N 3.27Å; S606-S608 PolarHBondContact O-N 2.95Å; S606-F609 PolarHBondContact O-N 3.05Å; S606-F609 WeakPolarHBondContact OG-CB 3.31Å; S606-F609 PolarHBondContact OG-N 2.63Å; S606-M610 PolarHBondContact O-N 3.14Å
607Y92.6Very high94.7Very high49 Ų4924.5 Ų24.519%0.19213%0.134CC..Hα-helixtrans-59.9-36.5173.6-70.5-79.9000112.6M610 S611 E635 R637 V666Y607-M610 HydrophobicContact CD1-CE 3.87Å; Y607-M610 HydrophobicContact CE1-CE 4.47Å; Y607-M610 PolarHBondContact O-N 3.39Å; Y607-S611 WeakPolarHBondContact O-CB 3.15Å; Y607-S611 PolarHBondContact O-N 3.21Å; Y607-S611 PolarHBondContact O-OG 2.67Å; Y607-S611 VanDerWaalsContact O-OG 3.13Å; Y607-E635 HydrophobicContact CE1-CG 4.23Å; Y607-E635 PolarHBondContact OH-OE1 3.3Å; Y607-R637 HydrophobicContact CD1-CG 4.04Å; Y607-R637 HydrophobicContact CE1-CG 4.06Å; Y607-R637 HydrophobicContact CG-CG 4.3Å; Y607-V666 HydrophobicContact CD1-CB 4.45Å; Y607-V666 HydrophobicContact CD1-CG2 3.61Å; Y607-V666 HydrophobicContact CD2-CB 4.46Å; Y607-V666 HydrophobicContact CD2-CG1 4.24Å; Y607-V666 HydrophobicContact CD2-CG2 4.23Å; Y607-V666 HydrophobicContact CE1-CB 4.26Å; Y607-V666 HydrophobicContact CE1-CG2 3.79Å; Y607-V666 HydrophobicContact CE2-CB 4.29Å; Y607-V666 HydrophobicContact CE2-CG1 4.3Å; Y607-V666 HydrophobicContact CE2-CG2 4.4Å; Y607-V666 HydrophobicContact CG-CG2 3.83Å
608S92.1Very high94.8Very high63 Ų6326.8 Ų26.844%0.44114%0.141SC..Hα-helixtrans-61.4-49.1179-174.80000111S606 S611 Q612S606-S608 VanDerWaalsContact C-N 3.27Å; S606-S608 PolarHBondContact O-N 2.95Å; S608-S611 PolarHBondContact O-N 3.2Å; S608-Q612 VanDerWaalsContact O-CG 3.29Å; S608-Q612 WeakPolarHBondContact O-CG 3.49Å; S608-Q612 PolarHBondContact O-N 3.47Å
609F93.1Very high94.9Very high2 Ų233 Ų331%0.00917%0.172CC..Hα-helixtrans-66.2-41-179.8179.9-138.8000112.3A571 R576 Y581 F604 P605 S606 Q612 C613A571-F609 HydrophobicContact CB-CE1 4.32Å; A571-F609 HydrophobicContact CB-CZ 4.44Å; R576-F609 HydrophobicContact CB-CD2 4.44Å; R576-F609 HydrophobicContact CB-CE2 3.73Å; R576-F609 HydrophobicContact CB-CZ 4.02Å; R576-F609 HydrophobicContact CG-CD2 4.44Å; R576-F609 HydrophobicContact CG-CE2 4.21Å; Y581-F609 HydrophobicContact CE1-CE2 4.07Å; Y581-F609 AromaticContact CE1-CZ 3.66Å; Y581-F609 HydrophobicContact CE1-CZ 3.66Å; F604-F609 AromaticContact CD1-CD1 3.93Å; F604-F609 HydrophobicContact CD1-CD1 3.93Å; F604-F609 HydrophobicContact CD1-CE1 4.03Å; P605-F609 HydrophobicContact CB-CD1 4.37Å; P605-F609 HydrophobicContact CG-CD1 4.06Å; P605-F609 HydrophobicContact CG-CE1 4.22Å; S606-F609 PolarHBondContact O-N 3.05Å; S606-F609 WeakPolarHBondContact OG-CB 3.31Å; S606-F609 PolarHBondContact OG-N 2.63Å; F609-Q612 PolarHBondContact O-N 3.09Å; F609-C613 WeakPolarHBondContact CE2-SG 3.47Å; F609-C613 PolarHBondContact O-N 2.95Å
610M95.4Very high94.8Very high4 Ų435.1 Ų35.12%0.0219%0.194CC..Hα-helixtrans-56.7-50.6172.7-179.8178.575.800111.7F604 S606 Y607 Q612 C613 I614 I634 F664 V666F604-M610 HydrophobicContact CB-CB 3.9Å; F604-M610 HydrophobicContact CD1-CB 4.24Å; F604-M610 HydrophobicContact CD2-CB 3.65Å; F604-M610 HydrophobicContact CD2-CG 3.49Å; F604-M610 VanDerWaalsContact CD2-CG 3.49Å; F604-M610 HydrophobicContact CD2-SD 4.05Å; F604-M610 HydrophobicContact CE2-CB 4.14Å; F604-M610 HydrophobicContact CE2-CG 3.65Å; F604-M610 HydrophobicContact CE2-SD 4.45Å; F604-M610 HydrophobicContact CG-CB 3.68Å; F604-M610 HydrophobicContact CG-CG 4.08Å; F604-M610 HydrophobicContact CZ-CG 4.38Å; S606-M610 PolarHBondContact O-N 3.14Å; Y607-M610 HydrophobicContact CD1-CE 3.87Å; Y607-M610 HydrophobicContact CE1-CE 4.47Å; Y607-M610 PolarHBondContact O-N 3.39Å; M610-Q612 PolarHBondContact O-N 2.78Å; M610-C613 PolarHBondContact O-N 2.93Å; M610-I614 HydrophobicContact CG-CD1 3.7Å; M610-I614 HydrophobicContact CG-CG1 4.49Å; M610-I614 WeakPolarHBondContact O-CB 3.39Å; M610-I614 VanDerWaalsContact O-CG1 3.3Å; M610-I614 WeakPolarHBondContact O-CG1 3.2Å; M610-I614 PolarHBondContact O-N 2.84Å; M610-I634 HydrophobicContact CE-CG2 3.69Å; M610-I634 HydrophobicContact SD-CG2 4.26Å; M610-F664 HydrophobicContact SD-CB 3.96Å; M610-V666 HydrophobicContact CB-CG2 4.49Å; M610-V666 HydrophobicContact CE-CG2 4.16Å; M610-V666 HydrophobicContact SD-CG2 3.98Å
611S95Very high94.7Very high48 Ų4838.8 Ų38.834%0.33621%0.214SC..Hα-helixtrans-59.3-46.8179.2-68.10000111.8Y607 S608 C613 I614 E615Y607-S611 WeakPolarHBondContact O-CB 3.15Å; Y607-S611 PolarHBondContact O-N 3.21Å; Y607-S611 PolarHBondContact O-OG 2.67Å; Y607-S611 VanDerWaalsContact O-OG 3.13Å; S608-S611 PolarHBondContact O-N 3.2Å; S611-C613 PolarHBondContact O-N 3.14Å; S611-I614 PolarHBondContact O-N 2.92Å; S611-E615 WeakPolarHBondContact O-CB 3.42Å; S611-E615 VanDerWaalsContact O-CG 3.31Å; S611-E615 WeakPolarHBondContact O-CG 3.2Å; S611-E615 PolarHBondContact O-N 3.1Å
612Q94Very high94.7Very high51 Ų5139 Ų3924%0.23822%0.215CC..Hα-helixtrans-61.7-40.3178.7-72.2174.8-700113.3S608 F609 M610 Y616S608-Q612 VanDerWaalsContact O-CG 3.29Å; S608-Q612 WeakPolarHBondContact O-CG 3.49Å; S608-Q612 PolarHBondContact O-N 3.47Å; F609-Q612 PolarHBondContact O-N 3.09Å; M610-Q612 PolarHBondContact O-N 2.78Å; Q612-Y616 WeakPolarHBondContact O-CB 3.42Å; Q612-Y616 PolarHBondContact O-N 2.86Å; Q612-Y616 VanDerWaalsContact O-N 3.08Å
613C96.2Very high94.7Very high0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-66.3-45.4175.2-770000111.4F604 F609 M610 S611 Y616 W617F604-C613 HydrophobicContact CE1-CB 3.9Å; F604-C613 HydrophobicContact CZ-CB 4.27Å; F609-C613 WeakPolarHBondContact CE2-SG 3.47Å; F609-C613 PolarHBondContact O-N 2.95Å; M610-C613 PolarHBondContact O-N 2.93Å; S611-C613 PolarHBondContact O-N 3.14Å; C613-Y616 PolarHBondContact O-N 3.29Å; C613-W617 HydrophobicContact CB-CD2 4.49Å; C613-W617 HydrophobicContact CB-CE3 4.47Å; C613-W617 HydrophobicContact CB-CH2 4.04Å; C613-W617 HydrophobicContact CB-CZ2 4.06Å; C613-W617 HydrophobicContact CB-CZ3 4.25Å; C613-W617 WeakPolarHBondContact O-CB 3.42Å; C613-W617 VanDerWaalsContact O-CD2 3.24Å; C613-W617 PolarHBondContact O-N 3.43Å
614I95.9Very high94.6Very high7 Ų746.4 Ų46.44%0.03625%0.248CC..Hα-helixtrans-64.7-42.9179.7-68.7172.2000111.2M610 S611 W617 K618 Y623 I634 F664M610-I614 HydrophobicContact CG-CD1 3.7Å; M610-I614 HydrophobicContact CG-CG1 4.49Å; M610-I614 WeakPolarHBondContact O-CB 3.39Å; M610-I614 VanDerWaalsContact O-CG1 3.3Å; M610-I614 WeakPolarHBondContact O-CG1 3.2Å; M610-I614 PolarHBondContact O-N 2.84Å; S611-I614 PolarHBondContact O-N 2.92Å; I614-W617 HydrophobicContact CG1-CE3 4.37Å; I614-W617 HydrophobicContact CG1-CZ3 4.48Å; I614-W617 PolarHBondContact O-N 2.97Å; I614-K618 HydrophobicContact CG2-CD 4.1Å; I614-K618 HydrophobicContact CG2-CG 4.41Å; I614-K618 WeakPolarHBondContact O-CB 3.37Å; I614-K618 VanDerWaalsContact O-CG 3.29Å; I614-K618 WeakPolarHBondContact O-CG 3.4Å; I614-K618 PolarHBondContact O-N 3.39Å; I614-Y623 HydrophobicContact CG2-CD2 4.22Å; I614-Y623 HydrophobicContact CG2-CE2 4Å; I614-I634 HydrophobicContact CD1-CD1 3.85Å; I614-I634 HydrophobicContact CD1-CG1 4.07Å; I614-I634 HydrophobicContact CD1-CG2 4.33Å; I614-I634 HydrophobicContact CG2-CD1 4.31Å; I614-F664 HydrophobicContact CD1-CB 4.27Å; I614-F664 HydrophobicContact CD1-CD2 4.04Å; I614-F664 HydrophobicContact CD1-CG 4.18Å
615E95.5Very high94.5Very high106 Ų10649.9 Ų49.950%0.49526%0.263SS..Hα-helixtrans-58.4-50.6174.5-75.8169.8-173.400110.5S611 W617 K618 D619S611-E615 WeakPolarHBondContact O-CB 3.42Å; S611-E615 VanDerWaalsContact O-CG 3.31Å; S611-E615 WeakPolarHBondContact O-CG 3.2Å; S611-E615 PolarHBondContact O-N 3.1Å; E615-W617 VanDerWaalsContact C-N 3.32Å; E615-W617 PolarHBondContact O-N 3.48Å; E615-K618 PolarHBondContact O-N 3.23Å; E615-K618 VanDerWaalsContact O-N 3.12Å; E615-D619 PolarHBondContact O-N 3.24Å
616Y95.8Very high94.5Very high75 Ų7548.6 Ų48.629%0.29426%0.255SS..Hα-helixtrans-58.6-40176.6-177.4-96000113.2S579 R582 N583 Q612 C613 D619 G620S579-Y616 WeakPolarHBondContact CB-OH 3.32Å; R582-Y616 HydrophobicContact CB-CD1 3.47Å; R582-Y616 VanDerWaalsContact CB-CD1 3.47Å; R582-Y616 HydrophobicContact CB-CE1 3.66Å; R582-Y616 HydrophobicContact CB-CG 4.13Å; R582-Y616 HydrophobicContact CG-CD1 4.37Å; N583-Y616 HydrophobicContact CB-CE1 4.39Å; Q612-Y616 WeakPolarHBondContact O-CB 3.42Å; Q612-Y616 PolarHBondContact O-N 2.86Å; Q612-Y616 VanDerWaalsContact O-N 3.08Å; C613-Y616 PolarHBondContact O-N 3.29Å; Y616-D619 PolarHBondContact O-N 3.31Å; Y616-G620 PolarHBondContact O-N 3.14Å
617W97.2Very high94.6Very high0 Ų049.5 Ų49.50%026%0.261CS..Hα-helixtrans-73.2-25.8178.3-64.6-27.1000113.9R582 L585 L589 F604 C613 I614 E615 G620 V622 Y623 F664R582-W617 PolarHBondContact O-NE1 3.22Å; L585-W617 HydrophobicContact CB-CZ2 4.35Å; L585-W617 HydrophobicContact CD2-CH2 4.42Å; L585-W617 HydrophobicContact CD2-CZ2 4.04Å; L585-W617 HydrophobicContact CG-CZ2 4.08Å; L589-W617 HydrophobicContact CD1-CH2 3.44Å; L589-W617 VanDerWaalsContact CD1-CH2 3.44Å; L589-W617 HydrophobicContact CD1-CZ2 4.08Å; L589-W617 HydrophobicContact CD1-CZ3 3.97Å; F604-W617 HydrophobicContact CE1-CH2 4.27Å; F604-W617 AromaticContact CZ-CH2 3.8Å; F604-W617 HydrophobicContact CZ-CH2 3.8Å; F604-W617 AromaticContact CZ-CZ3 3.96Å; F604-W617 HydrophobicContact CZ-CZ3 3.96Å; C613-W617 HydrophobicContact CB-CD2 4.49Å; C613-W617 HydrophobicContact CB-CE3 4.47Å; C613-W617 HydrophobicContact CB-CH2 4.04Å; C613-W617 HydrophobicContact CB-CZ2 4.06Å; C613-W617 HydrophobicContact CB-CZ3 4.25Å; C613-W617 WeakPolarHBondContact O-CB 3.42Å; C613-W617 VanDerWaalsContact O-CD2 3.24Å; C613-W617 PolarHBondContact O-N 3.43Å; I614-W617 HydrophobicContact CG1-CE3 4.37Å; I614-W617 HydrophobicContact CG1-CZ3 4.48Å; I614-W617 PolarHBondContact O-N 2.97Å; E615-W617 VanDerWaalsContact C-N 3.32Å; E615-W617 PolarHBondContact O-N 3.48Å; W617-G620 CarbonylContact O-C 3.52Å; W617-V622 HydrophobicContact CB-CB 3.95Å; W617-V622 HydrophobicContact CB-CG1 4.03Å; W617-V622 HydrophobicContact CD2-CG1 4.12Å; W617-V622 HydrophobicContact CG-CB 3.99Å; W617-V622 HydrophobicContact CG-CG1 3.69Å; W617-Y623 VanDerWaalsContact O-CB 3.25Å; W617-Y623 WeakPolarHBondContact O-CB 3.26Å; W617-Y623 PolarHBondContact O-N 3.35Å; W617-F664 HydrophobicContact CE3-CZ 4.42Å; W617-F664 AromaticContact CZ3-CE1 3.83Å; W617-F664 HydrophobicContact CZ3-CE1 3.83Å; W617-F664 AromaticContact CZ3-CZ 3.88Å; W617-F664 HydrophobicContact CZ3-CZ 3.88Å
618K95.5Very high94.6Very high77 Ų7755.4 Ų55.434%0.33528%0.283SS..Hα-helixtrans-76.4-32173.3-77.5178175.7-170.60112.4I614 E615 G620 Y623I614-K618 HydrophobicContact CG2-CD 4.1Å; I614-K618 HydrophobicContact CG2-CG 4.41Å; I614-K618 WeakPolarHBondContact O-CB 3.37Å; I614-K618 VanDerWaalsContact O-CG 3.29Å; I614-K618 WeakPolarHBondContact O-CG 3.4Å; I614-K618 PolarHBondContact O-N 3.39Å; E615-K618 PolarHBondContact O-N 3.23Å; E615-K618 VanDerWaalsContact O-N 3.12Å; K618-G620 VanDerWaalsContact C-N 3.28Å; K618-Y623 HydrophobicContact CG-CD1 3.91Å; K618-Y623 HydrophobicContact CG-CD2 3.9Å; K618-Y623 HydrophobicContact CG-CE1 4.4Å; K618-Y623 HydrophobicContact CG-CE2 4.4Å; K618-Y623 HydrophobicContact CG-CG 3.64Å
619D93.8Very high94.6Very high145 Ų14553.2 Ų53.278%0.77527%0.268SS*.Hα-helixtrans-72.3-25.9173.8-67-17.4000111.9E615 Y616E615-D619 PolarHBondContact O-N 3.24Å; Y616-D619 PolarHBondContact O-N 3.31Å
620G92.2Very high94.7Very high45 Ų4553.5 Ų53.546%0.46427%0.269SS..SBendtrans-96.5-160.5169.900000113.4Y616 W617 K618Y616-G620 PolarHBondContact O-N 3.14Å; W617-G620 CarbonylContact O-C 3.52Å; K618-G620 VanDerWaalsContact C-N 3.28Å
621D93.3Very high94.7Very high78 Ų7857.8 Ų57.842%0.41729%0.289SS..SBendtrans-100.9-0.9178.869.56.8000113.8K625D621-K625 VanDerWaalsContact CG-CE 3.42Å; D621-K625 WeakPolarHBondContact O-CB 3.21Å; D621-K625 VanDerWaalsContact O-CG 3.28Å; D621-K625 WeakPolarHBondContact O-CG 3.27Å; D621-K625 PolarHBondContact O-N 3.42Å; D621-K625 IonicContact OD1-NZ 3.21Å; D621-K625 PolarHBondContact OD1-NZ 2.92Å; D621-K625 WeakPolarHBondContact OD2-CE 3.34Å; D621-K625 IonicContact OD2-NZ 3.51Å; D621-K625 PolarHBondContact OD2-NZ 2.92Å
622V95Very high94.8Very high4 Ų456.9 Ų56.92%0.02428%0.28CS..Hα-helixtrans-66.3-45.3-175.11730000111.4I590 W617 E624 K625 L626I590-V622 HydrophobicContact CD1-CB 4.41Å; I590-V622 HydrophobicContact CD1-CG1 3.99Å; I590-V622 HydrophobicContact CD1-CG2 4.47Å; W617-V622 HydrophobicContact CB-CB 3.95Å; W617-V622 HydrophobicContact CB-CG1 4.03Å; W617-V622 HydrophobicContact CD2-CG1 4.12Å; W617-V622 HydrophobicContact CG-CB 3.99Å; W617-V622 HydrophobicContact CG-CG1 3.69Å; V622-E624 VanDerWaalsContact C-N 3.34Å; V622-E624 PolarHBondContact O-N 3.14Å; V622-K625 PolarHBondContact O-N 3.1Å; V622-L626 HydrophobicContact CG1-CD1 4.06Å; V622-L626 WeakPolarHBondContact O-CG 3.35Å; V622-L626 PolarHBondContact O-N 2.96Å
623Y95.9Very high94.9Very high48 Ų4856 Ų5619%0.18828%0.275CS..Hα-helixtrans-65.1-40.3-178.4-171.8-89.9000111.5I614 W617 K618 L626 S627 I632I614-Y623 HydrophobicContact CG2-CD2 4.22Å; I614-Y623 HydrophobicContact CG2-CE2 4Å; W617-Y623 VanDerWaalsContact O-CB 3.25Å; W617-Y623 WeakPolarHBondContact O-CB 3.26Å; W617-Y623 PolarHBondContact O-N 3.35Å; K618-Y623 HydrophobicContact CG-CD1 3.91Å; K618-Y623 HydrophobicContact CG-CD2 3.9Å; K618-Y623 HydrophobicContact CG-CE1 4.4Å; K618-Y623 HydrophobicContact CG-CE2 4.4Å; K618-Y623 HydrophobicContact CG-CG 3.64Å; Y623-L626 PolarHBondContact O-N 3.5Å; Y623-S627 WeakPolarHBondContact O-CB 3.24Å; Y623-S627 PolarHBondContact O-N 3.37Å; Y623-I632 HydrophobicContact CD2-CD1 4.14Å; Y623-I632 HydrophobicContact CE1-CD1 4.28Å; Y623-I632 HydrophobicContact CE2-CD1 3.82Å; Y623-I632 HydrophobicContact CE2-CG2 4.08Å; Y623-I632 HydrophobicContact CG-CD1 4.49Å
624E94.6Very high94.9Very high107 Ų10758.2 Ų58.250%0.529%0.287SS..Hα-helixtrans-64.7-45.3176.5-167.6-172170.600111.2V622 L626 S627 R628V622-E624 VanDerWaalsContact C-N 3.34Å; V622-E624 PolarHBondContact O-N 3.14Å; E624-L626 PolarHBondContact O-N 2.72Å; E624-S627 PolarHBondContact O-N 2.82Å; E624-R628 WeakPolarHBondContact O-CG 3.18Å; E624-R628 PolarHBondContact O-N 3.29Å; E624-R628 IonicContact OE1-CZ 2.63Å; E624-R628 IonicContact OE1-NE 3.47Å; E624-R628 IonicContact OE1-NH2 2.89Å; E624-R628 PolarHBondContact OE1-NH2 2.76Å; E624-R628 IonicContact OE2-NH2 3.6Å
625K94.9Very high94.8Very high74 Ų7458.1 Ų58.132%0.32229%0.286SS..Hα-helixtrans-57.9-48.3175-74.3170.8-175.5162.40111.7I590 D621 V622 S627 R628 S629I590-K625 HydrophobicContact CD1-CB 3.75Å; I590-K625 HydrophobicContact CD1-CD 3.86Å; I590-K625 HydrophobicContact CD1-CG 4.48Å; I590-K625 HydrophobicContact CG1-CB 4.16Å; D621-K625 VanDerWaalsContact CG-CE 3.42Å; D621-K625 WeakPolarHBondContact O-CB 3.21Å; D621-K625 VanDerWaalsContact O-CG 3.28Å; D621-K625 WeakPolarHBondContact O-CG 3.27Å; D621-K625 PolarHBondContact O-N 3.42Å; D621-K625 IonicContact OD1-NZ 3.21Å; D621-K625 PolarHBondContact OD1-NZ 2.92Å; D621-K625 WeakPolarHBondContact OD2-CE 3.34Å; D621-K625 IonicContact OD2-NZ 3.51Å; D621-K625 PolarHBondContact OD2-NZ 2.92Å; V622-K625 PolarHBondContact O-N 3.1Å; K625-S627 VanDerWaalsContact C-N 3.3Å; K625-S627 PolarHBondContact O-N 2.94Å; K625-R628 WeakPolarHBondContact O-CB 3.25Å; K625-R628 PolarHBondContact O-N 3.33Å; K625-S629 PolarHBondContact O-N 3.48Å; K625-S629 PolarHBondContact O-OG 3.3Å
626L94.7Very high94.5Very high0 Ų053.9 Ų53.90%027%0.268CS..Hα-helixtrans-60.6-39176.2-76.3171.5000112.6L589 I590 A593 V622 Y623 E624 R628 S629 K630 I632 I662 F664L589-L626 HydrophobicContact CB-CD1 4.36Å; L589-L626 HydrophobicContact CB-CD2 3.98Å; I590-L626 HydrophobicContact CB-CD2 4.37Å; I590-L626 HydrophobicContact CG1-CD2 3.73Å; I590-L626 HydrophobicContact CG1-CG 3.72Å; A593-L626 HydrophobicContact CB-CD2 4.14Å; V622-L626 HydrophobicContact CG1-CD1 4.06Å; V622-L626 WeakPolarHBondContact O-CG 3.35Å; V622-L626 PolarHBondContact O-N 2.96Å; Y623-L626 PolarHBondContact O-N 3.5Å; E624-L626 PolarHBondContact O-N 2.72Å; L626-R628 VanDerWaalsContact C-N 3.27Å; L626-R628 PolarHBondContact O-N 3.17Å; L626-S629 WeakPolarHBondContact O-CB 3.19Å; L626-S629 PolarHBondContact O-N 3.35Å; L626-S629 VanDerWaalsContact O-N 3.15Å; L626-K630 PolarHBondContact O-N 2.99Å; L626-I632 HydrophobicContact CB-CD1 3.93Å; L626-I662 HydrophobicContact CD2-CD1 4.28Å; L626-F664 HydrophobicContact CD1-CZ 4.36Å
627S94.3Very high93.9Very high57 Ų5758.1 Ų58.140%0.39928%0.283SS..Hα-helixtrans-69.9-24179.5-168.50000113.1Y623 E624 K625 K630Y623-S627 WeakPolarHBondContact O-CB 3.24Å; Y623-S627 PolarHBondContact O-N 3.37Å; E624-S627 PolarHBondContact O-N 2.82Å; K625-S627 VanDerWaalsContact C-N 3.3Å; K625-S627 PolarHBondContact O-N 2.94Å; S627-K630 WeakPolarHBondContact CA-O 2.99Å
628R92.7Very high93.2Very high172 Ų17263.7 Ų63.765%0.64931%0.309SS*.Hα-helixtrans-73.7-34.3170.5-67.8172.5-173.7172.80.2111.2E624 K625 L626E624-R628 WeakPolarHBondContact O-CG 3.18Å; E624-R628 PolarHBondContact O-N 3.29Å; E624-R628 IonicContact OE1-CZ 2.63Å; E624-R628 IonicContact OE1-NE 3.47Å; E624-R628 IonicContact OE1-NH2 2.89Å; E624-R628 PolarHBondContact OE1-NH2 2.76Å; E624-R628 IonicContact OE2-NH2 3.6Å; K625-R628 WeakPolarHBondContact O-CB 3.25Å; K625-R628 PolarHBondContact O-N 3.33Å; L626-R628 VanDerWaalsContact C-N 3.27Å; L626-R628 PolarHBondContact O-N 3.17Å
629S91.5Very high92.4Very high18 Ų1866.5 Ų66.513%0.12632%0.321CS..Hα-helixtrans-73.1-43.4176.7-56.80000113.2D594 K625 L626 V659D594-S629 WeakPolarHBondContact OD1-CB 3.38Å; D594-S629 PolarHBondContact OD1-OG 3.03Å; K625-S629 PolarHBondContact O-N 3.48Å; K625-S629 PolarHBondContact O-OG 3.3Å; L626-S629 WeakPolarHBondContact O-CB 3.19Å; L626-S629 PolarHBondContact O-N 3.35Å; L626-S629 VanDerWaalsContact O-N 3.15Å; S629-V659 WeakPolarHBondContact O-CB 3.48Å
630K95Very high91.7Very high7 Ų766.2 Ų66.23%0.0332%0.32CS..SBendtrans-153.3152.8-177.4-66.7-167.1-179-730112.5A593 V596 A598 L600 L626 S627 I632 V659 I662A593-K630 WeakPolarHBondContact O-CE 3.42Å; V596-K630 WeakPolarHBondContact O-CE 3.28Å; V596-K630 PolarHBondContact O-NZ 2.96Å; A598-K630 PolarHBondContact O-NZ 3.05Å; A598-K630 VanDerWaalsContact O-NZ 3.1Å; L600-K630 HydrophobicContact CB-CD 4.36Å; L626-K630 PolarHBondContact O-N 2.99Å; S627-K630 WeakPolarHBondContact CA-O 2.99Å; K630-I632 PolarHBondContact O-N 3.15Å; K630-V659 WeakPolarHBondContact CG-O 3.35Å; K630-V659 PolarHBondContact NZ-O 2.89Å; K630-I662 HydrophobicContact CB-CD1 3.84Å; K630-I662 HydrophobicContact CB-CG1 3.69Å; K630-I662 HydrophobicContact CD-CD1 4.29Å; K630-I662 HydrophobicContact CD-CG1 3.75Å; K630-I662 HydrophobicContact CG-CD1 4.4Å; K630-I662 HydrophobicContact CG-CG1 4.23Å
631H95.4Very high91.5Very high95 Ų9568.6 Ų68.644%0.4432%0.319SS..EExtended strand (participates in β ladder)trans-68.2124.2172.7-67.4-74.9000111.7F633 T652 G660 A661 I662H631-F633 HydrophobicContact CB-CE2 3.97Å; H631-T652 HydrophobicContact CB-CG2 3.84Å; H631-T652 VanDerWaalsContact CD2-CG2 3.5Å; H631-T652 WeakPolarHBondContact CD2-CG2 3.33Å; H631-G660 PolarHBondContact N-O 2.65Å; H631-A661 HydrophobicContact CB-CB 4.45Å; H631-A661 CarbonylContact O-C 3.56Å; H631-A661 VanDerWaalsContact O-CA 3.22Å; H631-A661 WeakPolarHBondContact O-CA 3.28Å; H631-I662 PolarHBondContact O-N 3.02Å
632I96.8Very high91.2Very high29 Ų2965.5 Ų65.515%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-94129.1-174.9-62.3173.1000111.3Y623 L626 K630 I634 I662 F664Y623-I632 HydrophobicContact CD2-CD1 4.14Å; Y623-I632 HydrophobicContact CE1-CD1 4.28Å; Y623-I632 HydrophobicContact CE2-CD1 3.82Å; Y623-I632 HydrophobicContact CE2-CG2 4.08Å; Y623-I632 HydrophobicContact CG-CD1 4.49Å; L626-I632 HydrophobicContact CB-CD1 3.93Å; K630-I632 PolarHBondContact O-N 3.15Å; I632-I634 HydrophobicContact CG2-CG1 4.36Å; I632-I662 HydrophobicContact CG1-CB 4.45Å; I632-F664 HydrophobicContact CD1-CE2 4.33Å; I632-F664 HydrophobicContact CG1-CE2 4.44Å; I632-F664 HydrophobicContact CG2-CD2 3.52Å; I632-F664 HydrophobicContact CG2-CE2 3.45Å; I632-F664 VanDerWaalsContact CG2-CE2 3.45Å
633F96.7Very high90.7Very high31 Ų3169.3 Ų69.314%0.13632%0.322CS..EExtended strand (participates in β ladder)trans-120.5148.2170-62.4-91.3000109.7H631 I645 E648 Y649 T652 A661 I662 L663 F664H631-F633 HydrophobicContact CB-CE2 3.97Å; F633-I645 HydrophobicContact CB-CG2 4.16Å; F633-I645 HydrophobicContact CD1-CG2 4.16Å; F633-E648 HydrophobicContact CD1-CB 4.45Å; F633-E648 HydrophobicContact CE1-CB 3.68Å; F633-E648 HydrophobicContact CZ-CB 4.31Å; F633-Y649 HydrophobicContact CB-CD2 4.43Å; F633-Y649 AromaticContact CD2-CD2 3.77Å; F633-Y649 HydrophobicContact CD2-CD2 3.77Å; F633-Y649 HydrophobicContact CD2-CG 4.39Å; F633-Y649 HydrophobicContact CE2-CD2 4.41Å; F633-Y649 HydrophobicContact CG-CD2 4.32Å; F633-T652 HydrophobicContact CE2-CG2 4.27Å; F633-A661 HydrophobicContact CD2-CB 4.08Å; F633-A661 HydrophobicContact CE2-CB 3.88Å; F633-I662 PolarHBondContact N-O 2.7Å; F633-L663 HydrophobicContact CB-CD1 3.78Å; F633-F664 PolarHBondContact O-N 3.26Å
634I95.8Very high90.4Very high48 Ų4873.5 Ų73.525%0.24634%0.341CS..EExtended strand (participates in β ladder)trans-127.1130.4-178.2-57.7169.6000108.6M610 I614 I632 P636 F664M610-I634 HydrophobicContact CE-CG2 3.69Å; M610-I634 HydrophobicContact SD-CG2 4.26Å; I614-I634 HydrophobicContact CD1-CD1 3.85Å; I614-I634 HydrophobicContact CD1-CG1 4.07Å; I614-I634 HydrophobicContact CD1-CG2 4.33Å; I614-I634 HydrophobicContact CG2-CD1 4.31Å; I632-I634 HydrophobicContact CG2-CG1 4.36Å; I634-P636 VanDerWaalsContact O-CD 3.27Å; I634-P636 WeakPolarHBondContact O-CD 3.47Å; I634-F664 HydrophobicContact CG1-CB 4.44Å; I634-F664 HydrophobicContact CG1-CD2 4.21Å
635E93.3Very high90.3Very high5 Ų570.3 Ų70.32%0.02333%0.327CS..  trans-61.7117.7176.4-177.5-177162.400111.6Y607 F642 F664 A665 V666 G669 R670 V671Y607-E635 HydrophobicContact CE1-CG 4.23Å; Y607-E635 PolarHBondContact OH-OE1 3.3Å; E635-F642 HydrophobicContact CG-CD2 4.09Å; E635-F642 HydrophobicContact CG-CE2 4.01Å; E635-F664 WeakPolarHBondContact CB-O 3.47Å; E635-F664 PolarHBondContact N-O 2.97Å; E635-A665 WeakPolarHBondContact OE2-CA 3.43Å; E635-V666 PolarHBondContact OE2-N 3.08Å; E635-G669 WeakPolarHBondContact OE1-CA 3.2Å; E635-R670 PolarHBondContact OE1-N 3.27Å; E635-V671 HydrophobicContact CB-CG2 4.24Å; E635-V671 HydrophobicContact CG-CG2 3.97Å; E635-V671 WeakPolarHBondContact OE2-CG2 3.36Å
636P89.6Confident90Very high16 Ų1667.6 Ų67.610%0.10432%0.315CS..  trans-79.7155.3173.535.1-37.7000111.1I634 Q641 F642 I645I634-P636 VanDerWaalsContact O-CD 3.27Å; I634-P636 WeakPolarHBondContact O-CD 3.47Å; P636-Q641 HydrophobicContact CB-CB 3.94Å; P636-Q641 HydrophobicContact CG-CB 3.88Å; P636-F642 HydrophobicContact CG-CB 3.89Å; P636-F642 HydrophobicContact CG-CD2 4.41Å; P636-F642 VanDerWaalsContact CG-N 3.33Å; P636-I645 HydrophobicContact CB-CD1 4.29Å; P636-I645 HydrophobicContact CG-CD1 3.92Å
637R84.7Confident89.7Confident165 Ų16571.4 Ų71.462%0.62334%0.336SS*.SBendtrans-73-31.8173.4-63.6-175.2-178.4-174.64.3112.3Y607 R670Y607-R637 HydrophobicContact CD1-CG 4.04Å; Y607-R637 HydrophobicContact CE1-CG 4.06Å; Y607-R637 HydrophobicContact CG-CG 4.3Å; R637-R670 PolarHBondContact O-NE 3.25Å; R637-R670 PolarHBondContact O-NH2 2.86Å
638E82.3Confident89.7Confident116 Ų11672.5 Ų72.554%0.54234%0.335SS..SBendtrans-79.8138.6-175.6-65.9-174.6-17800113.4N640 Q641 F642E638-N640 PolarHBondContact O-N 3.24Å; E638-Q641 HydrophobicContact CB-CB 4.39Å; E638-Q641 HydrophobicContact CB-CG 4.19Å; E638-Q641 PolarHBondContact OE2-NE2 3.31Å; E638-F642 WeakPolarHBondContact O-CB 3.37Å; E638-F642 PolarHBondContact O-N 2.77Å; E638-F642 VanDerWaalsContact O-N 3.08Å
639K78.2Confident89.7Confident136 Ų13664.3 Ų64.359%0.59130%0.304SS*.Hα-helixtrans-63.3-43.7-176.3-173.4173.4-179.8-173.60113.4F642 R670K639-F642 WeakPolarHBondContact O-CB 3.37Å; K639-F642 PolarHBondContact O-N 3.21Å; K639-R670 VanDerWaalsContact CA-CZ 3.48Å; K639-R670 VanDerWaalsContact CA-NH1 3.31Å; K639-R670 VanDerWaalsContact CG-NH1 3.3Å
640N79.5Confident89.7Confident140 Ų14068.1 Ų68.175%0.74932%0.315SS*.Hα-helixtrans-70.4-39.4-173.6-65.2-12.3000111.1E638E638-N640 PolarHBondContact O-N 3.24Å
641Q87Confident89.5Confident94 Ų9474.4 Ų74.444%0.43934%0.343SS..Hα-helixtrans-68.6-36.6175.9-58.9-173.412.700111.6P636 E638 N643 K644 I645P636-Q641 HydrophobicContact CB-CB 3.94Å; P636-Q641 HydrophobicContact CG-CB 3.88Å; E638-Q641 HydrophobicContact CB-CB 4.39Å; E638-Q641 HydrophobicContact CB-CG 4.19Å; E638-Q641 PolarHBondContact OE2-NE2 3.31Å; Q641-N643 PolarHBondContact O-N 3.45Å; Q641-K644 PolarHBondContact O-N 3.31Å; Q641-I645 PolarHBondContact O-N 3.35Å
642F87.2Confident89.4Confident13 Ų1371.2 Ų71.26%0.05733%0.33CS..Hα-helixtrans-55.8-50.1-178.8178.4-101.5000113E635 P636 E638 K639 K644 I645 F646 R670 V671 L675E635-F642 HydrophobicContact CG-CD2 4.09Å; E635-F642 HydrophobicContact CG-CE2 4.01Å; P636-F642 HydrophobicContact CG-CB 3.89Å; P636-F642 HydrophobicContact CG-CD2 4.41Å; P636-F642 VanDerWaalsContact CG-N 3.33Å; E638-F642 WeakPolarHBondContact O-CB 3.37Å; E638-F642 PolarHBondContact O-N 2.77Å; E638-F642 VanDerWaalsContact O-N 3.08Å; K639-F642 WeakPolarHBondContact O-CB 3.37Å; K639-F642 PolarHBondContact O-N 3.21Å; F642-K644 VanDerWaalsContact C-N 3.28Å; F642-K644 PolarHBondContact O-N 3.47Å; F642-I645 PolarHBondContact O-N 3.28Å; F642-F646 VanDerWaalsContact O-CB 3.26Å; F642-F646 WeakPolarHBondContact O-CB 2.94Å; F642-F646 PolarHBondContact O-N 3.23Å; F642-R670 HydrophobicContact CD1-CB 4.23Å; F642-R670 HydrophobicContact CD2-CB 3.9Å; F642-R670 HydrophobicContact CE1-CB 3.8Å; F642-R670 HydrophobicContact CE2-CB 3.47Å; F642-R670 VanDerWaalsContact CE2-CB 3.47Å; F642-R670 HydrophobicContact CG-CB 4.25Å; F642-R670 HydrophobicContact CZ-CB 3.38Å; F642-V671 HydrophobicContact CE2-CG2 3.61Å; F642-V671 HydrophobicContact CZ-CG2 4.05Å; F642-L675 HydrophobicContact CE1-CD1 3.68Å; F642-L675 HydrophobicContact CZ-CD1 3.38Å
643N85.1Confident89.1Confident84 Ų8469.9 Ų69.945%0.44932%0.323SS..Hα-helixtrans-61.7-37-178.8-71-16.6000112.2Q641 N647Q641-N643 PolarHBondContact O-N 3.45Å; N643-N647 WeakPolarHBondContact O-CB 3.27Å; N643-N647 PolarHBondContact O-N 3.1Å; N643-N647 VanDerWaalsContact O-N 3.16Å; N643-N647 PolarHBondContact O-ND2 3.33Å; N643-N647 VanDerWaalsContact O-ND2 3.15Å
644K89.7Confident88.7Confident136 Ų13670.4 Ų70.459%0.59133%0.33SS*.Hα-helixtrans-65.9-55177.6-174.6-176.9175.4-173.20110.9Q641 F642 F646 N647 E648Q641-K644 PolarHBondContact O-N 3.31Å; F642-K644 VanDerWaalsContact C-N 3.28Å; F642-K644 PolarHBondContact O-N 3.47Å; K644-F646 VanDerWaalsContact C-N 3.31Å; K644-F646 PolarHBondContact O-N 3.1Å; K644-N647 PolarHBondContact O-N 2.84Å; K644-E648 WeakPolarHBondContact CE-OE1 3.24Å; K644-E648 WeakPolarHBondContact O-CG 3.45Å; K644-E648 PolarHBondContact O-N 3.13Å
645I91.4Very high88.3Confident40 Ų4072.7 Ų72.721%0.20534%0.342CS..Hα-helixtrans-61.1-41.3-178-69.3179.6000111.2F633 P636 Q641 F642 E648 Y649F633-I645 HydrophobicContact CB-CG2 4.16Å; F633-I645 HydrophobicContact CD1-CG2 4.16Å; P636-I645 HydrophobicContact CB-CD1 4.29Å; P636-I645 HydrophobicContact CG-CD1 3.92Å; Q641-I645 PolarHBondContact O-N 3.35Å; F642-I645 PolarHBondContact O-N 3.28Å; I645-E648 PolarHBondContact O-N 3.35Å; I645-Y649 WeakPolarHBondContact O-CB 3.26Å; I645-Y649 PolarHBondContact O-N 2.81Å
646F89.1Confident87.5Confident17 Ų1778.2 Ų78.28%0.07537%0.368CS..Hα-helixtrans-65.2-42.2179.1-177.7-102.8000112.6F642 K644 E648 Y649 R650 L663 L675 L677F642-F646 VanDerWaalsContact O-CB 3.26Å; F642-F646 WeakPolarHBondContact O-CB 2.94Å; F642-F646 PolarHBondContact O-N 3.23Å; K644-F646 VanDerWaalsContact C-N 3.31Å; K644-F646 PolarHBondContact O-N 3.1Å; F646-E648 VanDerWaalsContact C-N 3.33Å; F646-Y649 PolarHBondContact O-N 2.97Å; F646-R650 WeakPolarHBondContact O-CB 3.26Å; F646-R650 PolarHBondContact O-N 3.4Å; F646-L663 HydrophobicContact CD2-CD2 4.2Å; F646-L663 HydrophobicContact CE2-CD2 4.48Å; F646-L675 HydrophobicContact CD1-CD1 4.12Å; F646-L675 HydrophobicContact CD1-CD2 4.36Å; F646-L675 HydrophobicContact CD2-CD1 3.75Å; F646-L675 HydrophobicContact CE1-CD1 3.97Å; F646-L675 HydrophobicContact CE1-CD2 4.01Å; F646-L675 HydrophobicContact CE1-CG 4.42Å; F646-L675 HydrophobicContact CE2-CB 4.46Å; F646-L675 HydrophobicContact CE2-CD1 3.58Å; F646-L675 HydrophobicContact CG-CD1 4.01Å; F646-L675 HydrophobicContact CZ-CB 4.02Å; F646-L675 HydrophobicContact CZ-CD1 3.7Å; F646-L675 HydrophobicContact CZ-CD2 4.34Å; F646-L675 HydrophobicContact CZ-CG 4.26Å; F646-L677 HydrophobicContact CE2-CD1 4.26Å; F646-L677 HydrophobicContact CE2-CD2 3.64Å; F646-L677 HydrophobicContact CE2-CG 4.17Å; F646-L677 HydrophobicContact CZ-CD2 3.52Å; F646-L677 HydrophobicContact CZ-CG 4.06Å
647N89.4Confident86.8Confident80 Ų8085.7 Ų85.743%0.42841%0.407SS..Hα-helixtrans-66.1-37.1176.6-75.6-23.2000111.9N643 K644 K651N643-N647 WeakPolarHBondContact O-CB 3.27Å; N643-N647 PolarHBondContact O-N 3.1Å; N643-N647 VanDerWaalsContact O-N 3.16Å; N643-N647 PolarHBondContact O-ND2 3.33Å; N643-N647 VanDerWaalsContact O-ND2 3.15Å; K644-N647 PolarHBondContact O-N 2.84Å; N647-K651 WeakPolarHBondContact O-CB 3.39Å; N647-K651 VanDerWaalsContact O-CG 3.28Å; N647-K651 WeakPolarHBondContact O-CG 3.4Å; N647-K651 PolarHBondContact O-N 3.22Å
648E92.6Very high86.7Confident80 Ų8079.7 Ų79.737%0.37439%0.39SS..Hα-helixtrans-64.8-47.2173.1-71.3173-177.700111.3F633 K644 I645 F646 R650 K651 T652F633-E648 HydrophobicContact CD1-CB 4.45Å; F633-E648 HydrophobicContact CE1-CB 3.68Å; F633-E648 HydrophobicContact CZ-CB 4.31Å; K644-E648 WeakPolarHBondContact CE-OE1 3.24Å; K644-E648 WeakPolarHBondContact O-CG 3.45Å; K644-E648 PolarHBondContact O-N 3.13Å; I645-E648 PolarHBondContact O-N 3.35Å; F646-E648 VanDerWaalsContact C-N 3.33Å; E648-R650 PolarHBondContact O-N 2.9Å; E648-K651 PolarHBondContact O-N 2.86Å; E648-T652 PolarHBondContact O-N 2.92Å; E648-T652 PolarHBondContact O-OG1 2.67Å; E648-T652 VanDerWaalsContact O-OG1 3.05Å
649Y94.4Very high87Confident0 Ų077.7 Ų77.70%039%0.386CS..Hα-helixtrans-53.4-52.5173.6166.7-101000111.7G599 L600 L601 F633 I645 F646 K651 T652 A653 A661 L663 L677 A681G599-Y649 WeakPolarHBondContact CA-OH 3.33Å; L600-Y649 PolarHBondContact N-OH 3.16Å; L600-Y649 PolarHBondContact O-OH 3.38Å; L601-Y649 HydrophobicContact CD2-CE1 3.95Å; L601-Y649 WeakPolarHBondContact CD2-OH 3.07Å; F633-Y649 HydrophobicContact CB-CD2 4.43Å; F633-Y649 AromaticContact CD2-CD2 3.77Å; F633-Y649 HydrophobicContact CD2-CD2 3.77Å; F633-Y649 HydrophobicContact CD2-CG 4.39Å; F633-Y649 HydrophobicContact CE2-CD2 4.41Å; F633-Y649 HydrophobicContact CG-CD2 4.32Å; I645-Y649 WeakPolarHBondContact O-CB 3.26Å; I645-Y649 PolarHBondContact O-N 2.81Å; F646-Y649 PolarHBondContact O-N 2.97Å; Y649-K651 VanDerWaalsContact C-N 3.33Å; Y649-K651 PolarHBondContact O-N 2.73Å; Y649-T652 PolarHBondContact O-N 3.35Å; Y649-A653 HydrophobicContact CE1-CB 4.47Å; Y649-A653 HydrophobicContact CE2-CB 4.35Å; Y649-A653 VanDerWaalsContact O-CB 3.29Å; Y649-A653 WeakPolarHBondContact O-CB 3.31Å; Y649-A653 PolarHBondContact O-N 2.96Å; Y649-A661 HydrophobicContact CD2-CB 3.63Å; Y649-A661 HydrophobicContact CE2-CB 3.66Å; Y649-L663 HydrophobicContact CD1-CB 4.34Å; Y649-L663 HydrophobicContact CD1-CD2 3.97Å; Y649-L663 HydrophobicContact CD2-CB 3.65Å; Y649-L663 HydrophobicContact CE1-CB 4.24Å; Y649-L663 HydrophobicContact CE1-CD2 4.19Å; Y649-L663 HydrophobicContact CE2-CB 3.52Å; Y649-L663 HydrophobicContact CG-CB 4.05Å; Y649-L663 HydrophobicContact CG-CD2 4.2Å; Y649-L677 HydrophobicContact CE1-CD2 4.04Å; Y649-A681 WeakPolarHBondContact CE1-O 3.4Å; Y649-A681 PolarHBondContact OH-O 3.27Å
650R90.7Very high87.7Confident99 Ų9971.2 Ų71.237%0.37436%0.358SS..Hα-helixtrans-61.4-43.1-177.6-177.7178.5169.5126.6-1.8111.4F646 E648 C654 D676 A681F646-R650 WeakPolarHBondContact O-CB 3.26Å; F646-R650 PolarHBondContact O-N 3.4Å; E648-R650 PolarHBondContact O-N 2.9Å; R650-C654 WeakPolarHBondContact O-CB 3.38Å; R650-C654 PolarHBondContact O-N 2.75Å; R650-C654 VanDerWaalsContact O-N 3.17Å; R650-C654 PolarHBondContact O-SG 3.15Å; R650-D676 PolarHBondContact NH1-O 3.36Å; R650-A681 HydrophobicContact CG-CB 4.45Å
651K91.1Very high88.5Confident139 Ų13964.6 Ų64.660%0.60432%0.322SS*.Hα-helixtrans-57.9-53.3175.6-77.1175.8-178.8-176.20110.1N647 E648 Y649 C654 I655N647-K651 WeakPolarHBondContact O-CB 3.39Å; N647-K651 VanDerWaalsContact O-CG 3.28Å; N647-K651 WeakPolarHBondContact O-CG 3.4Å; N647-K651 PolarHBondContact O-N 3.22Å; E648-K651 PolarHBondContact O-N 2.86Å; Y649-K651 VanDerWaalsContact C-N 3.33Å; Y649-K651 PolarHBondContact O-N 2.73Å; K651-C654 PolarHBondContact O-N 2.74Å; K651-I655 VanDerWaalsContact O-CG1 3.23Å; K651-I655 WeakPolarHBondContact O-CG1 3.28Å; K651-I655 PolarHBondContact O-N 3.37Å
652T93.1Very high88.9Confident27 Ų2760.1 Ų60.117%0.16630%0.301CS..Hα-helixtrans-63.9-42.5-177.7-55.50000113H631 F633 E648 Y649 C654 I655 S658 A661H631-T652 HydrophobicContact CB-CG2 3.84Å; H631-T652 VanDerWaalsContact CD2-CG2 3.5Å; H631-T652 WeakPolarHBondContact CD2-CG2 3.33Å; F633-T652 HydrophobicContact CE2-CG2 4.27Å; E648-T652 PolarHBondContact O-N 2.92Å; E648-T652 PolarHBondContact O-OG1 2.67Å; E648-T652 VanDerWaalsContact O-OG1 3.05Å; Y649-T652 PolarHBondContact O-N 3.35Å; T652-C654 VanDerWaalsContact C-N 3.26Å; T652-C654 PolarHBondContact O-N 3.28Å; T652-I655 PolarHBondContact O-N 2.87Å; T652-S658 PolarHBondContact O-OG 2.96Å; T652-A661 HydrophobicContact CG2-CB 4.09Å
653A91.3Very high89.4Confident1 Ų159.6 Ų59.61%0.00830%0.299CS..Hα-helixtrans-62.3-34.2178.500000112.5A598 Y649 A661A598-A653 WeakPolarHBondContact CB-O 3.31Å; Y649-A653 HydrophobicContact CE1-CB 4.47Å; Y649-A653 HydrophobicContact CE2-CB 4.35Å; Y649-A653 VanDerWaalsContact O-CB 3.29Å; Y649-A653 WeakPolarHBondContact O-CB 3.31Å; Y649-A653 PolarHBondContact O-N 2.96Å; A653-A661 HydrophobicContact CB-CB 4.1Å
654C87.6Confident89.9Confident43 Ų4355.6 Ų55.629%0.29128%0.278SS..THydrogen-bonded Turntrans-90.1-1.4-177.6-65.20000114.3R650 K651 T652 E656R650-C654 WeakPolarHBondContact O-CB 3.38Å; R650-C654 PolarHBondContact O-N 2.75Å; R650-C654 VanDerWaalsContact O-N 3.17Å; R650-C654 PolarHBondContact O-SG 3.15Å; K651-C654 PolarHBondContact O-N 2.74Å; T652-C654 VanDerWaalsContact C-N 3.26Å; T652-C654 PolarHBondContact O-N 3.28Å; C654-E656 PolarHBondContact O-N 3.38Å
655I87.1Confident90.2Very high96 Ų9649.1 Ų49.149%0.49225%0.249SC..  trans-67.5119.4175.8-58.5179.6000108.8K651 T652 S658K651-I655 VanDerWaalsContact O-CG1 3.23Å; K651-I655 WeakPolarHBondContact O-CG1 3.28Å; K651-I655 PolarHBondContact O-N 3.37Å; T652-I655 PolarHBondContact O-N 2.87Å; I655-S658 WeakPolarHBondContact O-CB 3.44Å; I655-S658 PolarHBondContact O-N 3.35Å; I655-S658 PolarHBondContact O-OG 2.78Å
656E76Confident90.3Very high121 Ų12147.4 Ų47.457%0.56524%0.241SC*.THydrogen-bonded Turntrans-59.3138.7173.3-61.2-159.7127.500111.3C654 S658C654-E656 PolarHBondContact O-N 3.38Å; E656-S658 PolarHBondContact O-N 3.31Å; E656-S658 VanDerWaalsContact O-N 3.1Å
657N75.2Confident90.4Very high172 Ų17246.9 Ų46.992%0.9224%0.239SC*.THydrogen-bonded Turntrans58.416.4-176.8-54.2-43.2000115.2
658S83.6Confident90.2Very high39 Ų3948.1 Ų48.127%0.27324%0.238SC..SBendtrans-80162.1167.775.20000111.6T652 I655 E656 G660T652-S658 PolarHBondContact O-OG 2.96Å; I655-S658 WeakPolarHBondContact O-CB 3.44Å; I655-S658 PolarHBondContact O-N 3.35Å; I655-S658 PolarHBondContact O-OG 2.78Å; E656-S658 PolarHBondContact O-N 3.31Å; E656-S658 VanDerWaalsContact O-N 3.1Å; S658-G660 PolarHBondContact O-N 3.27Å; S658-G660 VanDerWaalsContact O-N 3.17Å; S658-G660 PolarHBondContact OG-N 3.3Å; S658-G660 VanDerWaalsContact OG-N 3.13Å
659V88Confident89.8Confident75 Ų7544.6 Ų44.646%0.45522%0.222SC..  trans-61-18.8168.4-650000112.2S629 K630S629-V659 WeakPolarHBondContact O-CB 3.48Å; K630-V659 WeakPolarHBondContact CG-O 3.35Å; K630-V659 PolarHBondContact NZ-O 2.89Å
660G92.7Very high89.3Confident0 Ų048.7 Ų48.70%024%0.238CC..  trans87.1-168.2-175.700000112.6A598 H631 S658A598-G660 WeakPolarHBondContact O-CA 3.48Å; H631-G660 PolarHBondContact N-O 2.65Å; S658-G660 PolarHBondContact O-N 3.27Å; S658-G660 VanDerWaalsContact O-N 3.17Å; S658-G660 PolarHBondContact OG-N 3.3Å; S658-G660 VanDerWaalsContact OG-N 3.13Å
661A96Very high89Confident0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-140.2148.1-174.400000112.3A598 G599 L600 H631 F633 Y649 T652 A653A598-A661 PolarHBondContact O-N 3.42Å; G599-A661 CarbonylContact C-O 3.08Å; G599-A661 WeakPolarHBondContact CA-O 3.38Å; L600-A661 PolarHBondContact N-O 3.03Å; H631-A661 HydrophobicContact CB-CB 4.45Å; H631-A661 CarbonylContact O-C 3.56Å; H631-A661 VanDerWaalsContact O-CA 3.22Å; H631-A661 WeakPolarHBondContact O-CA 3.28Å; F633-A661 HydrophobicContact CD2-CB 4.08Å; F633-A661 HydrophobicContact CE2-CB 3.88Å; Y649-A661 HydrophobicContact CD2-CB 3.63Å; Y649-A661 HydrophobicContact CE2-CB 3.66Å; T652-A661 HydrophobicContact CG2-CB 4.09Å; A653-A661 HydrophobicContact CB-CB 4.1Å
662I96.8Very high88.5Confident0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-106.6132.5170.4-68.5170.7000108A593 L600 I602 L626 K630 H631 I632 F633 F664A593-I662 HydrophobicContact CB-CD1 4.2Å; L600-I662 HydrophobicContact CB-CG1 4.21Å; L600-I662 HydrophobicContact CD2-CD1 4.49Å; L600-I662 HydrophobicContact CD2-CG1 4.17Å; L600-I662 CarbonylContact O-C 3.55Å; L600-I662 WeakPolarHBondContact O-CA 3.39Å; I602-I662 HydrophobicContact CD1-CG2 3.54Å; I602-I662 HydrophobicContact CG1-CG2 4.11Å; L626-I662 HydrophobicContact CD2-CD1 4.28Å; K630-I662 HydrophobicContact CB-CD1 3.84Å; K630-I662 HydrophobicContact CB-CG1 3.69Å; K630-I662 HydrophobicContact CD-CD1 4.29Å; K630-I662 HydrophobicContact CD-CG1 3.75Å; K630-I662 HydrophobicContact CG-CD1 4.4Å; K630-I662 HydrophobicContact CG-CG1 4.23Å; H631-I662 PolarHBondContact O-N 3.02Å; I632-I662 HydrophobicContact CG1-CB 4.45Å; F633-I662 PolarHBondContact N-O 2.7Å; I662-F664 HydrophobicContact CG2-CD1 4.32Å; I662-F664 HydrophobicContact CG2-CD2 4.22Å; I662-F664 HydrophobicContact CG2-CE1 4.23Å; I662-F664 HydrophobicContact CG2-CE2 4.08Å; I662-F664 HydrophobicContact CG2-CG 4.35Å; I662-F664 HydrophobicContact CG2-CZ 4.11Å
663L95.7Very high87.5Confident2 Ų238.6 Ų38.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-113.4108.6166.3-178.659.8000109.5L600 L601 I602 F633 F646 Y649 A665 V671L600-L663 PolarHBondContact O-N 3.14Å; L601-L663 HydrophobicContact CD2-CB 3.94Å; L601-L663 HydrophobicContact CD2-CD2 4.1Å; I602-L663 PolarHBondContact N-O 2.94Å; F633-L663 HydrophobicContact CB-CD1 3.78Å; F646-L663 HydrophobicContact CD2-CD2 4.2Å; F646-L663 HydrophobicContact CE2-CD2 4.48Å; Y649-L663 HydrophobicContact CD1-CB 4.34Å; Y649-L663 HydrophobicContact CD1-CD2 3.97Å; Y649-L663 HydrophobicContact CD2-CB 3.65Å; Y649-L663 HydrophobicContact CE1-CB 4.24Å; Y649-L663 HydrophobicContact CE1-CD2 4.19Å; Y649-L663 HydrophobicContact CE2-CB 3.52Å; Y649-L663 HydrophobicContact CG-CB 4.05Å; Y649-L663 HydrophobicContact CG-CD2 4.2Å; L663-A665 PolarHBondContact O-N 2.97Å; L663-V671 HydrophobicContact CD2-CG1 3.84Å; L663-V671 HydrophobicContact CD2-CG2 3.84Å; L663-V671 HydrophobicContact CG-CG2 4.45Å
664F96.9Very high86.1Confident0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-74.8119.1166.8-68.3-62.5000109.2L589 I602 F604 M610 I614 W617 L626 I632 F633 I634 E635 I662L589-F664 HydrophobicContact CD1-CE1 4.31Å; I602-F664 HydrophobicContact CB-CD1 3.69Å; I602-F664 HydrophobicContact CB-CE1 4.04Å; I602-F664 HydrophobicContact CD1-CD1 3.99Å; I602-F664 HydrophobicContact CD1-CE1 3.49Å; I602-F664 VanDerWaalsContact CD1-CE1 3.49Å; I602-F664 HydrophobicContact CD1-CZ 4.19Å; I602-F664 HydrophobicContact CG1-CD1 4.39Å; I602-F664 HydrophobicContact CG1-CE1 4.35Å; I602-F664 HydrophobicContact CG2-CD1 3.76Å; I602-F664 HydrophobicContact CG2-CE1 3.9Å; F604-F664 HydrophobicContact CE2-CB 4.36Å; F604-F664 AromaticContact CE2-CD1 3.51Å; F604-F664 HydrophobicContact CE2-CD1 3.51Å; F604-F664 HydrophobicContact CE2-CE1 4.11Å; F604-F664 HydrophobicContact CE2-CG 4.26Å; F604-F664 HydrophobicContact CZ-CD1 4.17Å; F604-F664 HydrophobicContact CZ-CE1 4.33Å; M610-F664 HydrophobicContact SD-CB 3.96Å; I614-F664 HydrophobicContact CD1-CB 4.27Å; I614-F664 HydrophobicContact CD1-CD2 4.04Å; I614-F664 HydrophobicContact CD1-CG 4.18Å; W617-F664 HydrophobicContact CE3-CZ 4.42Å; W617-F664 AromaticContact CZ3-CE1 3.83Å; W617-F664 HydrophobicContact CZ3-CE1 3.83Å; W617-F664 AromaticContact CZ3-CZ 3.88Å; W617-F664 HydrophobicContact CZ3-CZ 3.88Å; L626-F664 HydrophobicContact CD1-CZ 4.36Å; I632-F664 HydrophobicContact CD1-CE2 4.33Å; I632-F664 HydrophobicContact CG1-CE2 4.44Å; I632-F664 HydrophobicContact CG2-CD2 3.52Å; I632-F664 HydrophobicContact CG2-CE2 3.45Å; I632-F664 VanDerWaalsContact CG2-CE2 3.45Å; F633-F664 PolarHBondContact O-N 3.26Å; I634-F664 HydrophobicContact CG1-CB 4.44Å; I634-F664 HydrophobicContact CG1-CD2 4.21Å; E635-F664 WeakPolarHBondContact CB-O 3.47Å; E635-F664 PolarHBondContact N-O 2.97Å; I662-F664 HydrophobicContact CG2-CD1 4.32Å; I662-F664 HydrophobicContact CG2-CD2 4.22Å; I662-F664 HydrophobicContact CG2-CE1 4.23Å; I662-F664 HydrophobicContact CG2-CE2 4.08Å; I662-F664 HydrophobicContact CG2-CG 4.35Å; I662-F664 HydrophobicContact CG2-CZ 4.11Å
665A95.1Very high85.4Confident0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-133.2169.9-172.700000111I602 F603 F604 E635 L663 V671I602-A665 PolarHBondContact O-N 3.36Å; F603-A665 CarbonylContact C-O 3.52Å; F603-A665 WeakPolarHBondContact CA-O 3.44Å; F603-A665 HydrophobicContact CD1-CB 3.65Å; F603-A665 HydrophobicContact CE1-CB 3.6Å; F603-A665 HydrophobicContact CG-CB 4.44Å; F603-A665 HydrophobicContact CZ-CB 4.37Å; F604-A665 PolarHBondContact N-O 2.88Å; E635-A665 WeakPolarHBondContact OE2-CA 3.43Å; L663-A665 PolarHBondContact O-N 2.97Å; A665-V671 HydrophobicContact CB-CB 3.75Å; A665-V671 HydrophobicContact CB-CG1 3.96Å; A665-V671 HydrophobicContact CB-CG2 3.86Å
666V94.1Very high84.6Confident5 Ų539 Ų393%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-119137.4178.91780000110.3F604 Y607 M610 E635 G669F604-V666 WeakPolarHBondContact O-CA 3.2Å; Y607-V666 HydrophobicContact CD1-CB 4.45Å; Y607-V666 HydrophobicContact CD1-CG2 3.61Å; Y607-V666 HydrophobicContact CD2-CB 4.46Å; Y607-V666 HydrophobicContact CD2-CG1 4.24Å; Y607-V666 HydrophobicContact CD2-CG2 4.23Å; Y607-V666 HydrophobicContact CE1-CB 4.26Å; Y607-V666 HydrophobicContact CE1-CG2 3.79Å; Y607-V666 HydrophobicContact CE2-CB 4.29Å; Y607-V666 HydrophobicContact CE2-CG1 4.3Å; Y607-V666 HydrophobicContact CE2-CG2 4.4Å; Y607-V666 HydrophobicContact CG-CG2 3.83Å; M610-V666 HydrophobicContact CB-CG2 4.49Å; M610-V666 HydrophobicContact CE-CG2 4.16Å; M610-V666 HydrophobicContact SD-CG2 3.98Å; E635-V666 PolarHBondContact OE2-N 3.08Å; V666-G669 VanDerWaalsContact O-CA 3.3Å; V666-G669 WeakPolarHBondContact O-CA 3.43Å; V666-G669 PolarHBondContact O-N 3.21Å
667M91.8Very high84.8Confident5 Ų533.2 Ų33.23%0.02517%0.174CC..THydrogen-bonded Turntrans-64.2134.3170.8-67.1179.7-91.600109.4F603 F604 P605 G669 I687 G689 P691 I746 A749F603-M667 HydrophobicContact CB-CG 3.83Å; F603-M667 HydrophobicContact CD1-CG 4.41Å; F603-M667 HydrophobicContact CG-CG 4.39Å; F604-M667 PolarHBondContact O-N 3.12Å; P605-M667 HydrophobicContact CB-CE 4.36Å; P605-M667 HydrophobicContact CG-CE 3.86Å; M667-G669 PolarHBondContact O-N 3.34Å; M667-I687 HydrophobicContact CE-CG2 4.14Å; M667-I687 HydrophobicContact SD-CG2 3.99Å; M667-G689 WeakPolarHBondContact CE-O 3.41Å; M667-P691 HydrophobicContact CB-CB 3.96Å; M667-P691 HydrophobicContact CB-CG 4.24Å; M667-P691 HydrophobicContact CE-CB 3.87Å; M667-P691 HydrophobicContact CE-CG 4.05Å; M667-P691 HydrophobicContact SD-CB 3.88Å; M667-P691 HydrophobicContact SD-CG 3.52Å; M667-P691 VanDerWaalsContact SD-CG 3.52Å; M667-I746 HydrophobicContact SD-CG1 3.98Å; M667-A749 HydrophobicContact CG-CB 4.23Å
668R85.2Confident85.2Confident107 Ų10725.9 Ų25.940%0.40414%0.138SC..THydrogen-bonded Turntrans66.66.3-167-45.7176.2177.5-178-3.1114S672 Q741 A745R668-S672 VanDerWaalsContact CA-OG 3.27Å; R668-S672 WeakPolarHBondContact CA-OG 3.41Å; R668-S672 PolarHBondContact N-OG 2.86Å; R668-Q741 PolarHBondContact NH2-O 3.03Å; R668-A745 HydrophobicContact CG-CB 3.76Å
669G84.5Confident85.4Confident5 Ų526.5 Ų26.55%0.05214%0.138CC..SBendtrans-79.4176.2166.600000111.5E635 V666 M667 V671 S672 E673E635-G669 WeakPolarHBondContact OE1-CA 3.2Å; V666-G669 VanDerWaalsContact O-CA 3.3Å; V666-G669 WeakPolarHBondContact O-CA 3.43Å; V666-G669 PolarHBondContact O-N 3.21Å; M667-G669 PolarHBondContact O-N 3.34Å; G669-V671 VanDerWaalsContact C-N 3.25Å; G669-V671 PolarHBondContact O-N 3.09Å; G669-S672 PolarHBondContact N-OG 2.87Å; G669-S672 PolarHBondContact O-N 2.78Å; G669-S672 VanDerWaalsContact O-N 3.16Å; G669-S672 PolarHBondContact O-OG 2.84Å; G669-E673 PolarHBondContact O-N 3.01Å
670R83.9Confident85.5Confident87 Ų8724.9 Ų24.933%0.32813%0.127SC..THydrogen-bonded Turntrans-65.8-26.3-175.3-62.2173.5-171.5-103.41.3112.9E635 R637 K639 F642E635-R670 PolarHBondContact OE1-N 3.27Å; R637-R670 PolarHBondContact O-NE 3.25Å; R637-R670 PolarHBondContact O-NH2 2.86Å; K639-R670 VanDerWaalsContact CA-CZ 3.48Å; K639-R670 VanDerWaalsContact CA-NH1 3.31Å; K639-R670 VanDerWaalsContact CG-NH1 3.3Å; F642-R670 HydrophobicContact CD1-CB 4.23Å; F642-R670 HydrophobicContact CD2-CB 3.9Å; F642-R670 HydrophobicContact CE1-CB 3.8Å; F642-R670 HydrophobicContact CE2-CB 3.47Å; F642-R670 VanDerWaalsContact CE2-CB 3.47Å; F642-R670 HydrophobicContact CG-CB 4.25Å; F642-R670 HydrophobicContact CZ-CB 3.38Å
671V84.2Confident85.3Confident0 Ų025 Ų250%013%0.127CC..THydrogen-bonded Turntrans-71.9-37.2176.3-178.10000111.4F603 E635 F642 L663 A665 G669 E673 L677F603-V671 HydrophobicContact CE1-CB 4.17Å; F603-V671 HydrophobicContact CE1-CG1 4.04Å; F603-V671 HydrophobicContact CZ-CG1 3.94Å; E635-V671 HydrophobicContact CB-CG2 4.24Å; E635-V671 HydrophobicContact CG-CG2 3.97Å; E635-V671 WeakPolarHBondContact OE2-CG2 3.36Å; F642-V671 HydrophobicContact CE2-CG2 3.61Å; F642-V671 HydrophobicContact CZ-CG2 4.05Å; L663-V671 HydrophobicContact CD2-CG1 3.84Å; L663-V671 HydrophobicContact CD2-CG2 3.84Å; L663-V671 HydrophobicContact CG-CG2 4.45Å; A665-V671 HydrophobicContact CB-CB 3.75Å; A665-V671 HydrophobicContact CB-CG1 3.96Å; A665-V671 HydrophobicContact CB-CG2 3.86Å; G669-V671 VanDerWaalsContact C-N 3.25Å; G669-V671 PolarHBondContact O-N 3.09Å; V671-E673 PolarHBondContact O-N 3.37Å; V671-L677 HydrophobicContact CG1-CD1 4.42Å
672S80.7Confident85Confident0 Ų025 Ų250%013%0.127CC..THydrogen-bonded Turntrans-73.4-15.7179.970.10000113.2R668 G669 R752R668-S672 VanDerWaalsContact CA-OG 3.27Å; R668-S672 WeakPolarHBondContact CA-OG 3.41Å; R668-S672 PolarHBondContact N-OG 2.86Å; G669-S672 PolarHBondContact N-OG 2.87Å; G669-S672 PolarHBondContact O-N 2.78Å; G669-S672 VanDerWaalsContact O-N 3.16Å; G669-S672 PolarHBondContact O-OG 2.84Å; S672-R752 PolarHBondContact O-NE 2.84Å; S672-R752 PolarHBondContact O-NH2 2.94Å
673E70.7Confident84.9Confident52 Ų5225 Ų2524%0.24313%0.128CC..SBendtrans-110.6143.6178.7-63.2-168.5166.400111.2R117 G669 V671 L675R117-E673 IonicContact CZ-OE1 2.63Å; R117-E673 VanDerWaalsContact CZ-OE1 3.23Å; R117-E673 IonicContact CZ-OE2 3.81Å; R117-E673 IonicContact NH1-OE1 2.75Å; R117-E673 PolarHBondContact NH1-OE1 3.14Å; R117-E673 IonicContact NH1-OE2 3.41Å; R117-E673 IonicContact NH2-OE1 3.63Å; R117-E673 PolarHBondContact NH2-OE1 3.01Å; R117-E673 IonicContact NH2-OE2 2.64Å; G669-E673 PolarHBondContact O-N 3.01Å; V671-E673 PolarHBondContact O-N 3.37Å; E673-L675 PolarHBondContact O-N 3.36Å
674G63.2Low84.8Confident26 Ų2625 Ų2527%0.26813%0.127SC..SBendtrans66-6.515900000120.2Q124Q124-G674 PolarHBondContact NE2-O 3.13Å
675L71.8Confident84.7Confident37 Ų3725 Ų2519%0.19413%0.127CC..  trans-105.1147.2-177.9-64.1174.6000113.9F642 F646 E673 R752 R755F642-L675 HydrophobicContact CE1-CD1 3.68Å; F642-L675 HydrophobicContact CZ-CD1 3.38Å; F646-L675 HydrophobicContact CD1-CD1 4.12Å; F646-L675 HydrophobicContact CD1-CD2 4.36Å; F646-L675 HydrophobicContact CD2-CD1 3.75Å; F646-L675 HydrophobicContact CE1-CD1 3.97Å; F646-L675 HydrophobicContact CE1-CD2 4.01Å; F646-L675 HydrophobicContact CE1-CG 4.42Å; F646-L675 HydrophobicContact CE2-CB 4.46Å; F646-L675 HydrophobicContact CE2-CD1 3.58Å; F646-L675 HydrophobicContact CG-CD1 4.01Å; F646-L675 HydrophobicContact CZ-CB 4.02Å; F646-L675 HydrophobicContact CZ-CD1 3.7Å; F646-L675 HydrophobicContact CZ-CD2 4.34Å; F646-L675 HydrophobicContact CZ-CG 4.26Å; E673-L675 PolarHBondContact O-N 3.36Å; L675-R752 PolarHBondContact O-NH1 3.32Å; L675-R755 PolarHBondContact O-NH1 3.43Å; L675-R755 VanDerWaalsContact O-NH1 3.1Å; L675-R755 PolarHBondContact O-NH2 3.13Å
676D71.5Confident84.8Confident85 Ų8525 Ų2546%0.45513%0.127SC..  trans-104.2114178.2-161.727.7000111.1R650 R755R650-D676 PolarHBondContact NH1-O 3.36Å; D676-R755 WeakPolarHBondContact OD1-CD 3.4Å; D676-R755 VanDerWaalsContact OD1-CG 3.29Å; D676-R755 WeakPolarHBondContact OD1-CG 3.3Å; D676-R755 IonicContact OD1-CZ 2.76Å; D676-R755 IonicContact OD1-NE 3.92Å; D676-R755 PolarHBondContact OD1-NE 2.81Å; D676-R755 IonicContact OD1-NH1 3.77Å; D676-R755 PolarHBondContact OD1-NH1 2.82Å; D676-R755 VanDerWaalsContact OD1-NH1 3.14Å
677L80.3Confident84.9Confident0 Ų024.7 Ų24.70%013%0.126CC..  trans-122.986.4-177.8-72.5170.5000106.3L601 F646 Y649 V671 A681 R752 R755L601-L677 HydrophobicContact CD1-CD1 3.46Å; L601-L677 VanDerWaalsContact CD1-CD1 3.46Å; L601-L677 HydrophobicContact CD2-CD1 3.8Å; L601-L677 HydrophobicContact CG-CD1 4.26Å; F646-L677 HydrophobicContact CE2-CD1 4.26Å; F646-L677 HydrophobicContact CE2-CD2 3.64Å; F646-L677 HydrophobicContact CE2-CG 4.17Å; F646-L677 HydrophobicContact CZ-CD2 3.52Å; F646-L677 HydrophobicContact CZ-CG 4.06Å; Y649-L677 HydrophobicContact CE1-CD2 4.04Å; V671-L677 HydrophobicContact CG1-CD1 4.42Å; L677-A681 HydrophobicContact CB-CB 4.46Å; L677-A681 HydrophobicContact CD2-CB 3.84Å; L677-R752 VanDerWaalsContact O-O 3.09Å; L677-R755 WeakPolarHBondContact O-CG 3.42Å; L677-R755 PolarHBondContact O-NE 2.8Å
678A82.7Confident85.1Confident19 Ų1924.5 Ų24.516%0.15712%0.124CC..  trans-98.1152.9179.800000110.3N680 A681 R755A678-N680 PolarHBondContact O-N 3.1Å; A678-A681 VanDerWaalsContact O-CB 3.31Å; A678-A681 WeakPolarHBondContact O-CB 3.12Å; A678-A681 PolarHBondContact O-N 2.78Å; A678-A681 VanDerWaalsContact O-N 3.14Å; A678-R755 HydrophobicContact CB-CB 3.76Å; A678-R755 HydrophobicContact CB-CG 3.87Å
679D87.5Confident85.6Confident51 Ų5119.4 Ų19.427%0.27311%0.105SC..G310 helixtrans56.4-125.9170.1-61-56.2000113.6A681 G682 R683 H756 D759D679-A681 PolarHBondContact O-N 2.7Å; D679-A681 VanDerWaalsContact O-N 3.14Å; D679-G682 PolarHBondContact O-N 3.22Å; D679-G682 VanDerWaalsContact O-N 3.16Å; D679-R683 VanDerWaalsContact CA-CZ 3.42Å; D679-R683 WeakPolarHBondContact O-CD 3.44Å; D679-R683 PolarHBondContact O-NE 2.97Å; D679-R683 IonicContact OD1-NH2 2.7Å; D679-R683 PolarHBondContact OD1-NH2 3.46Å; D679-H756 IonicContact OD1-CE1 2.93Å; D679-H756 PolarHBondContact OD1-CE1 3.43Å; D679-H756 IonicContact OD1-NE2 3.83Å; D679-H756 PolarHBondContact OD1-NE2 3.02Å; D679-H756 IonicContact OD2-CE1 2.62Å; D679-H756 IonicContact OD2-NE2 2.68Å; D679-H756 PolarHBondContact OD2-NE2 3.39Å; D679-D759 PolarHBondContact N-OD1 2.77Å; D679-D759 PolarHBondContact N-OD2 3.33Å
680N90.6Very high86Confident42 Ų4219.7 Ų19.723%0.22511%0.105CC..G310 helixtrans-65-17.2-177.1-69.3-9.4000112.8A598 G599 A678 G682 R683A598-N680 HydrophobicContact CB-CB 3.81Å; A598-N680 VanDerWaalsContact CB-O 3.28Å; A598-N680 WeakPolarHBondContact CB-O 3.42Å; G599-N680 WeakPolarHBondContact CA-O 3.46Å; G599-N680 PolarHBondContact N-O 3.26Å; A678-N680 PolarHBondContact O-N 3.1Å; N680-G682 PolarHBondContact O-N 2.94Å; N680-R683 PolarHBondContact OD1-NE 2.96Å; N680-R683 PolarHBondContact OD1-NH2 3.26Å
681A88.8Confident86.5Confident1 Ų115.7 Ų15.71%0.0089%0.091CC..G310 helixtrans-70.8-13.1176.500000113.1Y649 R650 L677 A678 D679Y649-A681 WeakPolarHBondContact CE1-O 3.4Å; Y649-A681 PolarHBondContact OH-O 3.27Å; R650-A681 HydrophobicContact CG-CB 4.45Å; L677-A681 HydrophobicContact CB-CB 4.46Å; L677-A681 HydrophobicContact CD2-CB 3.84Å; A678-A681 VanDerWaalsContact O-CB 3.31Å; A678-A681 WeakPolarHBondContact O-CB 3.12Å; A678-A681 PolarHBondContact O-N 2.78Å; A678-A681 VanDerWaalsContact O-N 3.14Å; D679-A681 PolarHBondContact O-N 2.7Å; D679-A681 VanDerWaalsContact O-N 3.14Å
682G90Very high86.9Confident0 Ų019.3 Ų19.30%011%0.105CC..  trans-166.469.9-178.100000114.1G599 D679 N680G599-G682 CarbonylContact O-C 3.47Å; D679-G682 PolarHBondContact O-N 3.22Å; D679-G682 VanDerWaalsContact O-N 3.16Å; N680-G682 PolarHBondContact O-N 2.94Å
683R93.1Very high87.3Confident2 Ų220.1 Ų20.11%0.00811%0.112CC..SBendtrans-79-22178.8-68.2-60.9-176.4-156.7-7.1113.9V596 P597 A598 G599 D679 N680 D759 Y760 G761 I762 F804V596-R683 HydrophobicContact CG1-CB 4.29Å; P597-R683 HydrophobicContact CG-CB 4.44Å; P597-R683 HydrophobicContact CG-CG 4.41Å; P597-R683 WeakPolarHBondContact O-CB 3.45Å; A598-R683 HydrophobicContact CB-CG 4.38Å; G599-R683 PolarHBondContact O-N 2.89Å; D679-R683 VanDerWaalsContact CA-CZ 3.42Å; D679-R683 WeakPolarHBondContact O-CD 3.44Å; D679-R683 PolarHBondContact O-NE 2.97Å; D679-R683 IonicContact OD1-NH2 2.7Å; D679-R683 PolarHBondContact OD1-NH2 3.46Å; N680-R683 PolarHBondContact OD1-NE 2.96Å; N680-R683 PolarHBondContact OD1-NH2 3.26Å; R683-D759 IonicContact CZ-OD1 2.69Å; R683-D759 IonicContact NH1-OD1 3.93Å; R683-D759 PolarHBondContact NH1-OD1 3.2Å; R683-Y760 PolarHBondContact NH1-O 3.37Å; R683-G761 CarbonylContact O-C 3.51Å; R683-G761 WeakPolarHBondContact O-CA 3.5Å; R683-I762 PolarHBondContact O-N 2.98Å; R683-F804 HydrophobicContact CB-CE1 3.91Å; R683-F804 HydrophobicContact CB-CZ 4.13Å; R683-F804 WeakPolarHBondContact O-CZ 3.32Å
684G94Very high88.2Confident0 Ų022.2 Ų22.20%013%0.13CC..EExtended strand (participates in β ladder)trans-138.8144.1175.900000112.9G599 L600 L601 I762G599-G684 PolarHBondContact O-N 3.15Å; L600-G684 WeakPolarHBondContact CD1-O 3.32Å; L601-G684 PolarHBondContact N-O 2.91Å; G684-I762 CarbonylContact C-O 3.59Å; G684-I762 VanDerWaalsContact CA-O 3.28Å; G684-I762 WeakPolarHBondContact CA-O 3.22Å
685V95Very high89.5Confident0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-123.7130.9172160.60000110.1L601 F603 I687 V753 I762 I763 Y764L601-V685 HydrophobicContact CB-CG2 3.8Å; L601-V685 HydrophobicContact CD1-CG2 3.77Å; L601-V685 HydrophobicContact CG-CG2 4.26Å; L601-V685 CarbonylContact O-C 3.59Å; L601-V685 WeakPolarHBondContact O-CA 3.25Å; F603-V685 HydrophobicContact CD2-CG1 3.99Å; F603-V685 HydrophobicContact CE2-CG1 4.28Å; F603-V685 HydrophobicContact CE2-CG2 4.3Å; V685-I687 HydrophobicContact CG1-CD1 3.78Å; V685-I687 HydrophobicContact CG1-CG1 4.17Å; V685-V753 HydrophobicContact CB-CG2 3.54Å; V685-V753 HydrophobicContact CG2-CG2 3.21Å; V685-I762 PolarHBondContact N-O 3.29Å; V685-I763 CarbonylContact O-C 3.5Å; V685-I763 WeakPolarHBondContact O-CA 3.44Å; V685-Y764 PolarHBondContact O-N 3.31Å
686F96.9Very high90.3Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-103.3131.8167-78.9-94.6000110.7L589 L592 L600 L601 I602 F603 L688 Y764 C766L589-F686 HydrophobicContact CD2-CD1 3.68Å; L589-F686 HydrophobicContact CD2-CD2 4.2Å; L589-F686 HydrophobicContact CD2-CE1 3.87Å; L589-F686 HydrophobicContact CD2-CE2 4.36Å; L589-F686 HydrophobicContact CD2-CG 3.88Å; L589-F686 HydrophobicContact CD2-CZ 4.21Å; L592-F686 HydrophobicContact CB-CE1 4.48Å; L592-F686 HydrophobicContact CB-CE2 4.43Å; L592-F686 HydrophobicContact CB-CZ 3.6Å; L592-F686 HydrophobicContact CD1-CE1 3.7Å; L592-F686 HydrophobicContact CD1-CZ 3.55Å; L592-F686 HydrophobicContact CG-CZ 4.22Å; L600-F686 HydrophobicContact CD1-CD2 3.67Å; L600-F686 HydrophobicContact CD1-CE2 3.53Å; L600-F686 HydrophobicContact CD2-CD2 3.93Å; L600-F686 HydrophobicContact CD2-CE2 3.67Å; L600-F686 HydrophobicContact CG-CD2 3.98Å; L600-F686 HydrophobicContact CG-CE2 4.03Å; L601-F686 PolarHBondContact O-N 3.37Å; I602-F686 HydrophobicContact CB-CB 4.33Å; I602-F686 HydrophobicContact CG1-CB 4.13Å; I602-F686 HydrophobicContact CG1-CD2 4.09Å; I602-F686 HydrophobicContact CG1-CG 4.38Å; I602-F686 HydrophobicContact CG2-CB 4.12Å; F603-F686 PolarHBondContact N-O 3.26Å; F686-L688 HydrophobicContact CB-CD2 3.82Å; F686-L688 HydrophobicContact CB-CG 4.38Å; F686-L688 HydrophobicContact CD1-CD2 4.02Å; F686-L688 HydrophobicContact CG-CD2 4.36Å; F686-Y764 HydrophobicContact CD1-CD2 4.06Å; F686-Y764 HydrophobicContact CD1-CG 4.16Å; F686-Y764 AromaticContact CD2-CD2 3.8Å; F686-Y764 HydrophobicContact CD2-CD2 3.8Å; F686-Y764 HydrophobicContact CD2-CE2 4.45Å; F686-Y764 AromaticContact CE1-CD2 3.66Å; F686-Y764 HydrophobicContact CE1-CD2 3.66Å; F686-Y764 HydrophobicContact CE1-CE2 4.42Å; F686-Y764 AromaticContact CE1-CG 3.75Å; F686-Y764 HydrophobicContact CE1-CG 3.75Å; F686-Y764 AromaticContact CE2-CD2 3.36Å; F686-Y764 HydrophobicContact CE2-CD2 3.36Å; F686-Y764 AromaticContact CE2-CE2 3.67Å; F686-Y764 HydrophobicContact CE2-CE2 3.67Å; F686-Y764 HydrophobicContact CE2-CG 4.29Å; F686-Y764 HydrophobicContact CG-CD2 4.11Å; F686-Y764 AromaticContact CZ-CD2 3.27Å; F686-Y764 HydrophobicContact CZ-CD2 3.27Å; F686-Y764 AromaticContact CZ-CE2 3.64Å; F686-Y764 HydrophobicContact CZ-CE2 3.64Å; F686-Y764 AromaticContact CZ-CG 3.8Å; F686-Y764 HydrophobicContact CZ-CG 3.8Å; F686-C766 VanDerWaalsContact CD1-SG 3.57Å
687I96.7Very high91.3Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-109.9105.7168.3-56.4-57.3000108.2F603 M667 V685 G689 I746 A749 V750 Y764 L765 C766 F770F603-I687 HydrophobicContact CB-CD1 3.99Å; F603-I687 HydrophobicContact CD2-CD1 4.09Å; F603-I687 HydrophobicContact CG-CD1 4.38Å; M667-I687 HydrophobicContact CE-CG2 4.14Å; M667-I687 HydrophobicContact SD-CG2 3.99Å; V685-I687 HydrophobicContact CG1-CD1 3.78Å; V685-I687 HydrophobicContact CG1-CG1 4.17Å; I687-G689 WeakPolarHBondContact CG2-O 3.4Å; I687-G689 PolarHBondContact O-N 3.38Å; I687-I746 HydrophobicContact CG2-CG1 4.26Å; I687-I746 HydrophobicContact CG2-CG2 4.45Å; I687-A749 HydrophobicContact CD1-CB 3.88Å; I687-V750 HydrophobicContact CD1-CG2 3.88Å; I687-V750 HydrophobicContact CG1-CG2 3.72Å; I687-Y764 PolarHBondContact N-O 2.99Å; I687-L765 HydrophobicContact CB-CD2 3.73Å; I687-L765 HydrophobicContact CG1-CD2 3.62Å; I687-L765 HydrophobicContact CG2-CD2 4.35Å; I687-C766 PolarHBondContact O-N 3.16Å; I687-F770 HydrophobicContact CG2-CE2 4.29Å; I687-F770 HydrophobicContact CG2-CZ 3.85Å
688L96.2Very high91.9Very high0 Ų031 Ų310%017%0.167CC..  trans-94.871.1-173.5-53.2-169000111.2L585 L589 I602 F603 F604 P605 F686 C766L585-L688 HydrophobicContact CD1-CD1 4.2Å; L585-L688 HydrophobicContact CD1-CD2 3.89Å; L585-L688 HydrophobicContact CD1-CG 4.44Å; L585-L688 HydrophobicContact CD2-CD1 4.1Å; L585-L688 HydrophobicContact CG-CD1 4.3Å; L589-L688 HydrophobicContact CD1-CD1 4.3Å; L589-L688 HydrophobicContact CD2-CD2 4.46Å; I602-L688 HydrophobicContact CG2-CD1 3.36Å; I602-L688 HydrophobicContact CG2-CG 3.87Å; F603-L688 PolarHBondContact O-N 2.83Å; F604-L688 HydrophobicContact CD1-CB 4.43Å; F604-L688 HydrophobicContact CD1-CD1 4.18Å; F604-L688 HydrophobicContact CE1-CD1 3.7Å; F604-L688 HydrophobicContact CE2-CD1 4.29Å; F604-L688 HydrophobicContact CZ-CD1 3.77Å; P605-L688 WeakPolarHBondContact CD-O 3.49Å; P605-L688 WeakPolarHBondContact CG-O 3.49Å; F686-L688 HydrophobicContact CB-CD2 3.82Å; F686-L688 HydrophobicContact CB-CG 4.38Å; F686-L688 HydrophobicContact CD1-CD2 4.02Å; F686-L688 HydrophobicContact CG-CD2 4.36Å; L688-C766 HydrophobicContact CD2-CB 3.83Å
689G94.7Very high92.4Very high0 Ų032.1 Ų32.10%017%0.167CC..SBendtrans99.3-179.2-177.500000114.7M667 I687M667-G689 WeakPolarHBondContact CE-O 3.41Å; I687-G689 WeakPolarHBondContact CG2-O 3.4Å; I687-G689 PolarHBondContact O-N 3.38Å
690I94.2Very high92.8Very high11 Ų1130.3 Ų30.36%0.05616%0.157CC..  trans-103.2126.1-175.8-57.3173.8000110Y692 A742 I746 R769 F770I690-Y692 VanDerWaalsContact C-N 3.26Å; I690-Y692 HydrophobicContact CB-CD2 3.94Å; I690-Y692 HydrophobicContact CB-CE2 3.62Å; I690-Y692 HydrophobicContact CD1-CE2 4.17Å; I690-Y692 HydrophobicContact CG1-CE2 4.5Å; I690-Y692 HydrophobicContact CG2-CD1 4.49Å; I690-Y692 HydrophobicContact CG2-CD2 3.67Å; I690-Y692 HydrophobicContact CG2-CE1 4.2Å; I690-Y692 HydrophobicContact CG2-CE2 3.31Å; I690-Y692 HydrophobicContact CG2-CG 4.25Å; I690-Y692 PolarHBondContact O-N 3.24Å; I690-A742 HydrophobicContact CG2-CB 3.62Å; I690-I746 HydrophobicContact CG1-CD1 4.49Å; I690-I746 HydrophobicContact CG2-CD1 4.13Å; I690-R769 HydrophobicContact CD1-CB 3.82Å; I690-F770 HydrophobicContact CD1-CE1 4.48Å; I690-F770 HydrophobicContact CG1-CE1 3.96Å; I690-F770 HydrophobicContact CG1-CE2 4.3Å; I690-F770 HydrophobicContact CG1-CZ 3.71Å
691P93.5Very high93Very high4 Ų430.8 Ų30.83%0.02616%0.164CC..  trans-82.962.5-173.137.2-38.8000112.1P605 M667 A742 A745 I746P605-P691 HydrophobicContact CB-CB 4.5Å; M667-P691 HydrophobicContact CB-CB 3.96Å; M667-P691 HydrophobicContact CB-CG 4.24Å; M667-P691 HydrophobicContact CE-CB 3.87Å; M667-P691 HydrophobicContact CE-CG 4.05Å; M667-P691 HydrophobicContact SD-CB 3.88Å; M667-P691 HydrophobicContact SD-CG 3.52Å; M667-P691 VanDerWaalsContact SD-CG 3.52Å; P691-A742 HydrophobicContact CG-CB 4.42Å; P691-A742 WeakPolarHBondContact CG-O 3.42Å; P691-A745 HydrophobicContact CG-CB 3.83Å; P691-I746 HydrophobicContact CG-CD1 4.49Å; P691-I746 HydrophobicContact CG-CG1 4.04Å
692Y92.7Very high93.3Very high75 Ų7532 Ų3229%0.29417%0.17SC..  trans-62.7137.1174.2-73.5-69.2000111.3I690 Y738 N739 A742I690-Y692 VanDerWaalsContact C-N 3.26Å; I690-Y692 HydrophobicContact CB-CD2 3.94Å; I690-Y692 HydrophobicContact CB-CE2 3.62Å; I690-Y692 HydrophobicContact CD1-CE2 4.17Å; I690-Y692 HydrophobicContact CG1-CE2 4.5Å; I690-Y692 HydrophobicContact CG2-CD1 4.49Å; I690-Y692 HydrophobicContact CG2-CD2 3.67Å; I690-Y692 HydrophobicContact CG2-CE1 4.2Å; I690-Y692 HydrophobicContact CG2-CE2 3.31Å; I690-Y692 HydrophobicContact CG2-CG 4.25Å; I690-Y692 PolarHBondContact O-N 3.24Å; Y692-Y738 WeakPolarHBondContact CB-OH 3.14Å; Y692-Y738 AromaticContact CD1-CD1 3.83Å; Y692-Y738 HydrophobicContact CD1-CD1 3.83Å; Y692-Y738 AromaticContact CD1-CE1 3.27Å; Y692-Y738 HydrophobicContact CD1-CE1 3.27Å; Y692-Y738 HydrophobicContact CD1-CE2 4.48Å; Y692-Y738 AromaticContact CD1-CZ 3.69Å; Y692-Y738 HydrophobicContact CE1-CD1 4.06Å; Y692-Y738 AromaticContact CE1-CE1 3.8Å; Y692-Y738 HydrophobicContact CE1-CE1 3.8Å; Y692-Y738 HydrophobicContact CG-CE1 4.02Å; Y692-N739 WeakPolarHBondContact CE1-OD1 3.35Å; Y692-A742 HydrophobicContact CD1-CB 3.86Å; Y692-A742 HydrophobicContact CE1-CB 4.03Å; Y692-A742 HydrophobicContact CG-CB 4.36Å
693A89.5Confident93.6Very high18 Ų1832.1 Ų32.115%0.14917%0.171CC..  trans-64.2153.1169.500000109.8I695 V700 Y738A693-I695 PolarHBondContact O-N 3.02Å; A693-V700 HydrophobicContact CB-CG2 3.95Å; A693-Y738 HydrophobicContact CB-CE2 4.24Å; A693-Y738 WeakPolarHBondContact O-CE2 3.41Å; A693-Y738 PolarHBondContact O-OH 2.85Å
694P90Very high93.8Very high95 Ų9533.6 Ų33.662%0.61718%0.178SC*.  trans-59115.2175.9-21.633.1000110.5H696 D697P694-H696 PolarHBondContact O-N 3.33Å; P694-D697 HydrophobicContact CB-CB 4.32Å; P694-D697 VanDerWaalsContact O-CB 3.22Å; P694-D697 WeakPolarHBondContact O-CB 3.41Å; P694-D697 PolarHBondContact O-N 2.97Å
695I89.9Confident93.9Very high78 Ų7835.6 Ų35.640%0.419%0.194SC..THydrogen-bonded Turntrans-63.4-31.2-173.8-163.4167.6000112.7A693 D697 S701A693-I695 PolarHBondContact O-N 3.02Å; I695-D697 VanDerWaalsContact C-N 3.28Å; I695-D697 PolarHBondContact O-N 2.73Å; I695-S701 PolarHBondContact O-OG 2.89Å
696H88.9Confident93.9Very high161 Ų16135.8 Ų35.875%0.74520%0.195SC*.THydrogen-bonded Turntrans-83.41.7177.6-56.3-62.9000113.6P694 P698P694-H696 PolarHBondContact O-N 3.33Å; H696-P698 WeakPolarHBondContact O-CD 3.42Å
697D91.6Very high93.8Very high67 Ų6735.8 Ų35.836%0.35820%0.195SC..  trans-62.7122.5167.1-177.8-18.3000108.3P694 I695 R699 V700 S701P694-D697 HydrophobicContact CB-CB 4.32Å; P694-D697 VanDerWaalsContact O-CB 3.22Å; P694-D697 WeakPolarHBondContact O-CB 3.41Å; P694-D697 PolarHBondContact O-N 2.97Å; I695-D697 VanDerWaalsContact C-N 3.28Å; I695-D697 PolarHBondContact O-N 2.73Å; D697-R699 PolarHBondContact O-N 2.9Å; D697-R699 VanDerWaalsContact O-N 3.13Å; D697-R699 PolarHBondContact OD1-N 3.49Å; D697-V700 HydrophobicContact CB-CB 4.15Å; D697-V700 HydrophobicContact CB-CG2 3.89Å; D697-V700 PolarHBondContact O-N 3.2Å; D697-S701 PolarHBondContact O-N 2.76Å
698P93.2Very high93.7Very high28 Ų2839 Ų3918%0.18221%0.212CC..Hα-helixtrans-52.2-37.7179.9-27.835.1000112.7H463 W500 H696 V700 L702H463-P698 WeakPolarHBondContact NE2-CB 3.41Å; W500-P698 HydrophobicContact CH2-CB 4.46Å; W500-P698 HydrophobicContact CZ3-CB 4.27Å; H696-P698 WeakPolarHBondContact O-CD 3.42Å; P698-V700 PolarHBondContact O-N 3.2Å; P698-L702 WeakPolarHBondContact O-CB 3.1Å; P698-L702 WeakPolarHBondContact O-CG 3.22Å; P698-L702 PolarHBondContact O-N 3.12Å
699R94.1Very high93.5Very high42 Ų4242.7 Ų42.716%0.15823%0.23CC..Hα-helixtrans-67.4-39.5-179.3-167.6176177.5135-5111.9Q264 E267 D268 W500 F502 D697 K703Q264-R699 VanDerWaalsContact NE2-NH2 3.1Å; E267-R699 IonicContact OE2-NH2 3.04Å; D268-R699 IonicContact OD1-CZ 3.41Å; D268-R699 VanDerWaalsContact OD1-CZ 3.23Å; D268-R699 IonicContact OD1-NH1 3.83Å; D268-R699 PolarHBondContact OD1-NH1 3.39Å; D268-R699 VanDerWaalsContact OD1-NH1 3.14Å; D268-R699 IonicContact OD1-NH2 3.69Å; D268-R699 PolarHBondContact OD1-NH2 3.1Å; W500-R699 HydrophobicContact CE3-CB 4.38Å; W500-R699 HydrophobicContact CE3-CG 4.34Å; W500-R699 HydrophobicContact CH2-CB 4.25Å; W500-R699 HydrophobicContact CZ3-CB 4.05Å; W500-R699 HydrophobicContact CZ3-CG 4.5Å; F502-R699 HydrophobicContact CE1-CG 3.79Å; F502-R699 WeakPolarHBondContact CE1-O 3.26Å; F502-R699 HydrophobicContact CZ-CG 4.25Å; D697-R699 PolarHBondContact O-N 2.9Å; D697-R699 VanDerWaalsContact O-N 3.13Å; D697-R699 PolarHBondContact OD1-N 3.49Å; R699-K703 VanDerWaalsContact O-CB 3.25Å; R699-K703 WeakPolarHBondContact O-CB 3.3Å; R699-K703 PolarHBondContact O-N 2.75Å
700V94.9Very high93.2Very high12 Ų1244.1 Ų44.17%0.07324%0.236CC..Hα-helixtrans-67.1-50.5176.7175.30000110.2A693 D697 P698 L702 K703 M704 W737 Y738A693-V700 HydrophobicContact CB-CG2 3.95Å; D697-V700 HydrophobicContact CB-CB 4.15Å; D697-V700 HydrophobicContact CB-CG2 3.89Å; D697-V700 PolarHBondContact O-N 3.2Å; P698-V700 PolarHBondContact O-N 3.2Å; V700-L702 VanDerWaalsContact C-N 3.34Å; V700-L702 PolarHBondContact O-N 3.36Å; V700-K703 PolarHBondContact O-N 2.77Å; V700-M704 HydrophobicContact CG1-SD 4.13Å; V700-M704 VanDerWaalsContact O-CG 3.3Å; V700-M704 WeakPolarHBondContact O-CG 3.46Å; V700-M704 PolarHBondContact O-N 3.44Å; V700-W737 HydrophobicContact CG1-CZ3 4.17Å; V700-Y738 HydrophobicContact CG1-CD2 3.79Å; V700-Y738 HydrophobicContact CG1-CE2 3.91Å
701S95.4Very high93Very high52 Ų5245.4 Ų45.436%0.36424%0.241SC..Hα-helixtrans-57.9-45.2178.7-780000112.1I695 D697 M704 A705I695-S701 PolarHBondContact O-OG 2.89Å; D697-S701 PolarHBondContact O-N 2.76Å; S701-M704 PolarHBondContact O-N 2.81Å; S701-A705 WeakPolarHBondContact O-CB 3.4Å; S701-A705 PolarHBondContact O-N 3.02Å
702L96Very high92.7Very high27 Ų2749.7 Ų49.714%0.14127%0.267CS..Hα-helixtrans-71.8-36.5-179.9-67.4173.9000112.9T373 R461 H463 W500 F502 P698 V700 A705 Y706T373-L702 HydrophobicContact CG2-CD1 3.73Å; T373-L702 HydrophobicContact CG2-CD2 3.69Å; T373-L702 HydrophobicContact CG2-CG 4.37Å; R461-L702 HydrophobicContact CB-CD1 4.43Å; H463-L702 HydrophobicContact CB-CD1 4.41Å; W500-L702 HydrophobicContact CE3-CD1 4.27Å; W500-L702 HydrophobicContact CZ3-CD1 4.15Å; F502-L702 HydrophobicContact CE1-CB 4.43Å; F502-L702 HydrophobicContact CE2-CB 3.6Å; F502-L702 HydrophobicContact CE2-CD1 4.46Å; F502-L702 HydrophobicContact CZ-CB 3.49Å; F502-L702 VanDerWaalsContact CZ-CB 3.49Å; F502-L702 HydrophobicContact CZ-CD1 4.41Å; P698-L702 WeakPolarHBondContact O-CB 3.1Å; P698-L702 WeakPolarHBondContact O-CG 3.22Å; P698-L702 PolarHBondContact O-N 3.12Å; V700-L702 VanDerWaalsContact C-N 3.34Å; V700-L702 PolarHBondContact O-N 3.36Å; L702-A705 PolarHBondContact O-N 3.34Å; L702-Y706 VanDerWaalsContact O-CB 3.29Å; L702-Y706 WeakPolarHBondContact O-CB 3.25Å; L702-Y706 PolarHBondContact O-N 3.46Å
703K96.3Very high92.4Very high3 Ų350 Ų501%0.01327%0.27CS..Hα-helixtrans-62.5-43.8172.8177.263-172.9-1660111.1E267 F502 E535 R699 V700 Y706 L707 W737E267-K703 WeakPolarHBondContact OE1-CE 3.35Å; E267-K703 IonicContact OE1-NZ 3.88Å; E267-K703 PolarHBondContact OE1-NZ 2.84Å; F502-K703 HydrophobicContact CB-CD 3.98Å; F502-K703 HydrophobicContact CD1-CB 3.65Å; F502-K703 HydrophobicContact CD1-CD 3.74Å; F502-K703 HydrophobicContact CD1-CG 4.22Å; F502-K703 HydrophobicContact CE1-CB 3.77Å; F502-K703 HydrophobicContact CG-CB 4.5Å; F502-K703 HydrophobicContact CG-CD 4.24Å; F502-K703 PolarHBondContact O-NZ 3.22Å; E535-K703 WeakPolarHBondContact OE2-CE 3.5Å; E535-K703 IonicContact OE2-NZ 3.56Å; E535-K703 PolarHBondContact OE2-NZ 2.91Å; R699-K703 VanDerWaalsContact O-CB 3.25Å; R699-K703 WeakPolarHBondContact O-CB 3.3Å; R699-K703 PolarHBondContact O-N 2.75Å; V700-K703 PolarHBondContact O-N 2.77Å; K703-Y706 PolarHBondContact O-N 2.95Å; K703-L707 HydrophobicContact CD-CD1 4.48Å; K703-L707 HydrophobicContact CD-CG 4.35Å; K703-L707 HydrophobicContact CG-CD1 4.46Å; K703-L707 WeakPolarHBondContact O-CG 3.39Å; K703-L707 PolarHBondContact O-N 3.4Å; K703-W737 HydrophobicContact CB-CH2 4.01Å; K703-W737 HydrophobicContact CB-CZ2 4.41Å; K703-W737 HydrophobicContact CB-CZ3 4.23Å; K703-W737 HydrophobicContact CG-CD2 4.15Å; K703-W737 HydrophobicContact CG-CE3 4.17Å; K703-W737 HydrophobicContact CG-CH2 3.61Å; K703-W737 HydrophobicContact CG-CZ2 3.55Å; K703-W737 HydrophobicContact CG-CZ3 3.91Å
704M96.4Very high92Very high33 Ų3351.4 Ų51.416%0.16328%0.275CS..Hα-helixtrans-59.9-49.6175.9-70.4177.861.600111.3V700 S701 Y706 L707 D708 G734 W737 Y738V700-M704 HydrophobicContact CG1-SD 4.13Å; V700-M704 VanDerWaalsContact O-CG 3.3Å; V700-M704 WeakPolarHBondContact O-CG 3.46Å; V700-M704 PolarHBondContact O-N 3.44Å; S701-M704 PolarHBondContact O-N 2.81Å; M704-Y706 VanDerWaalsContact C-N 3.34Å; M704-Y706 PolarHBondContact O-N 3.46Å; M704-L707 PolarHBondContact O-N 2.98Å; M704-D708 PolarHBondContact O-N 3.39Å; M704-G734 WeakPolarHBondContact CG-O 3.4Å; M704-W737 HydrophobicContact CG-CE3 3.88Å; M704-W737 HydrophobicContact CG-CZ3 3.91Å; M704-Y738 HydrophobicContact SD-CD2 4.09Å; M704-Y738 HydrophobicContact SD-CG 4.06Å
705A95.5Very high91.7Very high41 Ų4152.4 Ų52.434%0.33927%0.27SS..Hα-helixtrans-60-43.3177.400000112S701 L702 L707 D708 E709S701-A705 WeakPolarHBondContact O-CB 3.4Å; S701-A705 PolarHBondContact O-N 3.02Å; L702-A705 PolarHBondContact O-N 3.34Å; A705-L707 PolarHBondContact O-N 2.85Å; A705-D708 PolarHBondContact O-N 3.26Å; A705-E709 WeakPolarHBondContact O-CG 3.35Å; A705-E709 PolarHBondContact O-N 3.04Å
706Y95.1Very high91.3Very high5 Ų552.9 Ų52.92%0.0228%0.28CS..Hα-helixtrans-58.1-47.4175.7171.3-99.3000111.8S458 F502 S503 L702 K703 M704 D708 E709 Q710S458-Y706 WeakPolarHBondContact O-CE2 3.45Å; F502-Y706 HydrophobicContact CB-CD1 3.5Å; F502-Y706 HydrophobicContact CB-CD2 4.2Å; F502-Y706 HydrophobicContact CB-CE1 4.03Å; F502-Y706 HydrophobicContact CB-CG 3.6Å; F502-Y706 HydrophobicContact CG-CG 4.46Å; F502-Y706 WeakPolarHBondContact O-CD1 3.02Å; F502-Y706 WeakPolarHBondContact O-CE1 3.42Å; S503-Y706 WeakPolarHBondContact CB-OH 3.31Å; L702-Y706 VanDerWaalsContact O-CB 3.29Å; L702-Y706 WeakPolarHBondContact O-CB 3.25Å; L702-Y706 PolarHBondContact O-N 3.46Å; K703-Y706 PolarHBondContact O-N 2.95Å; M704-Y706 VanDerWaalsContact C-N 3.34Å; M704-Y706 PolarHBondContact O-N 3.46Å; Y706-D708 VanDerWaalsContact C-N 3.34Å; Y706-D708 PolarHBondContact O-N 2.74Å; Y706-E709 WeakPolarHBondContact O-CB 3.29Å; Y706-E709 PolarHBondContact O-N 3.47Å; Y706-Q710 HydrophobicContact CD1-CG 4.3Å; Y706-Q710 HydrophobicContact CD2-CG 4.3Å; Y706-Q710 HydrophobicContact CE1-CG 3.79Å; Y706-Q710 HydrophobicContact CE2-CG 3.77Å; Y706-Q710 VanDerWaalsContact CZ-CG 3.48Å; Y706-Q710 WeakPolarHBondContact O-CG 3.32Å; Y706-Q710 PolarHBondContact O-N 2.94Å
707L94.3Very high90.5Very high0 Ų050.4 Ų50.40%027%0.272CS..Hα-helixtrans-62.3-41.9178.2-71.6176.3000111.9E535 K703 M704 A705 Q710 F711 Y731 W737E535-L707 HydrophobicContact CG-CD2 4.32Å; K703-L707 HydrophobicContact CD-CD1 4.48Å; K703-L707 HydrophobicContact CD-CG 4.35Å; K703-L707 HydrophobicContact CG-CD1 4.46Å; K703-L707 WeakPolarHBondContact O-CG 3.39Å; K703-L707 PolarHBondContact O-N 3.4Å; M704-L707 PolarHBondContact O-N 2.98Å; A705-L707 PolarHBondContact O-N 2.85Å; L707-Q710 PolarHBondContact O-N 3.01Å; L707-F711 VanDerWaalsContact O-CB 3.3Å; L707-F711 WeakPolarHBondContact O-CB 3.47Å; L707-F711 PolarHBondContact O-N 3.34Å; L707-Y731 HydrophobicContact CD2-CE1 3.78Å; L707-W737 HydrophobicContact CD1-CB 3.33Å; L707-W737 HydrophobicContact CD1-CD2 3.92Å; L707-W737 HydrophobicContact CD1-CE3 4.47Å; L707-W737 HydrophobicContact CD1-CG 3.38Å
708D94.9Very high89.2Confident67 Ų6749.9 Ų49.936%0.35827%0.274SS..Hα-helixtrans-63.7-41.4176.8-69.7-25.5000111.6M704 A705 Y706 F711 V712 G734M704-D708 PolarHBondContact O-N 3.39Å; A705-D708 PolarHBondContact O-N 3.26Å; Y706-D708 VanDerWaalsContact C-N 3.34Å; Y706-D708 PolarHBondContact O-N 2.74Å; D708-F711 PolarHBondContact O-N 3.27Å; D708-V712 WeakPolarHBondContact O-CG2 3.29Å; D708-V712 PolarHBondContact O-N 3.28Å; D708-G734 PolarHBondContact OD1-N 2.77Å
709E92.4Very high87.6Confident78 Ų7853 Ų5336%0.36429%0.292SS..Hα-helixtrans-61.1-45.4173.3-72.6174.3-148.600112.4R461 A705 Y706 F711 V712 K713R461-E709 IonicContact CZ-OE1 3.87Å; R461-E709 IonicContact CZ-OE2 3.73Å; R461-E709 IonicContact NH2-OE1 3.04Å; R461-E709 PolarHBondContact NH2-OE1 3.42Å; R461-E709 IonicContact NH2-OE2 3.28Å; R461-E709 PolarHBondContact NH2-OE2 3.2Å; A705-E709 WeakPolarHBondContact O-CG 3.35Å; A705-E709 PolarHBondContact O-N 3.04Å; Y706-E709 WeakPolarHBondContact O-CB 3.29Å; Y706-E709 PolarHBondContact O-N 3.47Å; E709-F711 VanDerWaalsContact C-N 3.33Å; E709-V712 PolarHBondContact O-N 2.84Å; E709-K713 WeakPolarHBondContact O-CG 3.4Å; E709-K713 PolarHBondContact O-N 3.42Å
710Q89Confident85.9Confident30 Ų3060.6 Ų60.614%0.1433%0.329CS..Hα-helixtrans-64.7-40.4177.5-65.4-50.3-49.400111.4Y706 L707 V712 K713 L714 Y731Y706-Q710 HydrophobicContact CD1-CG 4.3Å; Y706-Q710 HydrophobicContact CD2-CG 4.3Å; Y706-Q710 HydrophobicContact CE1-CG 3.79Å; Y706-Q710 HydrophobicContact CE2-CG 3.77Å; Y706-Q710 VanDerWaalsContact CZ-CG 3.48Å; Y706-Q710 WeakPolarHBondContact O-CG 3.32Å; Y706-Q710 PolarHBondContact O-N 2.94Å; L707-Q710 PolarHBondContact O-N 3.01Å; Q710-V712 VanDerWaalsContact C-N 3.33Å; Q710-V712 PolarHBondContact O-N 3.44Å; Q710-K713 PolarHBondContact O-N 3.28Å; Q710-L714 WeakPolarHBondContact O-CB 3.36Å; Q710-L714 VanDerWaalsContact O-CG 3.31Å; Q710-L714 WeakPolarHBondContact O-CG 3.46Å; Q710-L714 PolarHBondContact O-N 3.25Å; Q710-Y731 HydrophobicContact CB-CE1 3.86Å; Q710-Y731 WeakPolarHBondContact CB-OH 3.47Å
711F88.6Confident84.6Confident37 Ų3763.4 Ų63.416%0.16234%0.344CS..Hα-helixtrans-60.9-41.7176.5-175-102.4000111.8L707 D708 E709 L714 K715 I728 Y731 T733L707-F711 VanDerWaalsContact O-CB 3.3Å; L707-F711 WeakPolarHBondContact O-CB 3.47Å; L707-F711 PolarHBondContact O-N 3.34Å; D708-F711 PolarHBondContact O-N 3.27Å; E709-F711 VanDerWaalsContact C-N 3.33Å; F711-L714 PolarHBondContact O-N 2.85Å; F711-K715 HydrophobicContact CD1-CD 4.23Å; F711-K715 HydrophobicContact CE1-CD 3.83Å; F711-K715 HydrophobicContact CZ-CD 4.26Å; F711-K715 WeakPolarHBondContact O-CG 3.35Å; F711-K715 PolarHBondContact O-N 3.23Å; F711-K715 VanDerWaalsContact O-N 3.07Å; F711-I728 HydrophobicContact CE2-CG2 4.14Å; F711-Y731 HydrophobicContact CB-CD1 4.4Å; F711-Y731 HydrophobicContact CD2-CD1 4.41Å; F711-T733 HydrophobicContact CD1-CG2 4.12Å; F711-T733 HydrophobicContact CD2-CG2 4.38Å; F711-T733 HydrophobicContact CE1-CG2 3.99Å; F711-T733 HydrophobicContact CE2-CG2 4.3Å; F711-T733 HydrophobicContact CG-CG2 4.28Å; F711-T733 HydrophobicContact CZ-CG2 4.09Å
712V88.8Confident83.3Confident95 Ų9568.7 Ų68.758%0.57636%0.363SS*.Hα-helixtrans-64-44.9173.6172.60000111.3D708 E709 Q710 L714 K715 S716D708-V712 WeakPolarHBondContact O-CG2 3.29Å; D708-V712 PolarHBondContact O-N 3.28Å; E709-V712 PolarHBondContact O-N 2.84Å; Q710-V712 VanDerWaalsContact C-N 3.33Å; Q710-V712 PolarHBondContact O-N 3.44Å; V712-L714 VanDerWaalsContact C-N 3.35Å; V712-L714 PolarHBondContact O-N 3.45Å; V712-K715 PolarHBondContact O-N 3.47Å; V712-S716 PolarHBondContact O-N 2.64Å; V712-S716 PolarHBondContact O-OG 3.41Å
713K85.2Confident81.9Confident81 Ų8172.5 Ų72.535%0.35238%0.383SS..Hα-helixtrans-60.7-41.2177-73.6173-179.4175.40112.7E709 Q710 K715 S716 N717E709-K713 WeakPolarHBondContact O-CG 3.4Å; E709-K713 PolarHBondContact O-N 3.42Å; Q710-K713 PolarHBondContact O-N 3.28Å; K713-K715 VanDerWaalsContact C-N 3.35Å; K713-S716 WeakPolarHBondContact CA-OG 3.38Å; K713-S716 PolarHBondContact O-N 3.32Å; K713-S716 PolarHBondContact O-OG 2.89Å; K713-N717 WeakPolarHBondContact O-CB 3.47Å; K713-N717 VanDerWaalsContact O-CG 3.29Å; K713-N717 PolarHBondContact O-N 3.16Å; K713-N717 VanDerWaalsContact O-N 3.09Å; K713-N717 PolarHBondContact O-ND2 3.29Å
714L82.5Confident80.4Confident48 Ų4875.4 Ų75.425%0.25140%0.396SS..Hα-helixtrans-65.3-40.6176.8-72.2171000111.1Q710 F711 V712 S718 L727 I728 Y731Q710-L714 WeakPolarHBondContact O-CB 3.36Å; Q710-L714 VanDerWaalsContact O-CG 3.31Å; Q710-L714 WeakPolarHBondContact O-CG 3.46Å; Q710-L714 PolarHBondContact O-N 3.25Å; F711-L714 PolarHBondContact O-N 2.85Å; V712-L714 VanDerWaalsContact C-N 3.35Å; V712-L714 PolarHBondContact O-N 3.45Å; L714-S718 PolarHBondContact O-N 2.91Å; L714-L727 HydrophobicContact CD2-CD2 4.47Å; L714-I728 HydrophobicContact CB-CG1 3.96Å; L714-Y731 HydrophobicContact CD1-CD1 4.24Å; L714-Y731 HydrophobicContact CD1-CD2 3.67Å; L714-Y731 HydrophobicContact CD1-CE2 4.17Å; L714-Y731 HydrophobicContact CD1-CG 3.72Å
715K83.5Confident79.2Confident116 Ų11680.1 Ų80.150%0.50442%0.416SS..Hα-helixtrans-66-41.4174.9-78.4-174.6170.7-176.20113.1F711 V712 K713 N717 S718 I728F711-K715 HydrophobicContact CD1-CD 4.23Å; F711-K715 HydrophobicContact CE1-CD 3.83Å; F711-K715 HydrophobicContact CZ-CD 4.26Å; F711-K715 WeakPolarHBondContact O-CG 3.35Å; F711-K715 PolarHBondContact O-N 3.23Å; F711-K715 VanDerWaalsContact O-N 3.07Å; V712-K715 PolarHBondContact O-N 3.47Å; K713-K715 VanDerWaalsContact C-N 3.35Å; K715-N717 VanDerWaalsContact C-N 3.31Å; K715-N717 PolarHBondContact O-N 3.05Å; K715-S718 VanDerWaalsContact O-CB 3.27Å; K715-S718 WeakPolarHBondContact O-CB 3.26Å; K715-S718 PolarHBondContact O-N 3.39Å; K715-I728 HydrophobicContact CG-CG2 3.97Å
716S81.1Confident78.2Confident88 Ų8881.8 Ų81.862%0.61542%0.422SS*.Hα-helixtrans-68.3-31.5179.563.50000112.7V712 K713 S718V712-S716 PolarHBondContact O-N 2.64Å; V712-S716 PolarHBondContact O-OG 3.41Å; K713-S716 WeakPolarHBondContact CA-OG 3.38Å; K713-S716 PolarHBondContact O-N 3.32Å; K713-S716 PolarHBondContact O-OG 2.89Å; S716-S718 VanDerWaalsContact C-N 3.27Å; S716-S718 PolarHBondContact O-N 3.07Å
717N70.8Confident77Confident108 Ų10884.7 Ų84.758%0.57844%0.438SS*.THydrogen-bonded Turntrans-85.32.8178-68.2-15.9000113.5K713 K715 T719 Q724K713-N717 WeakPolarHBondContact O-CB 3.47Å; K713-N717 VanDerWaalsContact O-CG 3.29Å; K713-N717 PolarHBondContact O-N 3.16Å; K713-N717 VanDerWaalsContact O-N 3.09Å; K713-N717 PolarHBondContact O-ND2 3.29Å; K715-N717 VanDerWaalsContact C-N 3.31Å; K715-N717 PolarHBondContact O-N 3.05Å; N717-T719 PolarHBondContact O-N 3.36Å; N717-Q724 PolarHBondContact O-NE2 3.46Å; N717-Q724 PolarHBondContact O-OE1 3.44Å
718S64.6Low76.2Confident56 Ų5685.4 Ų85.439%0.39244%0.441SS..  trans-69.3100.4179.8-170.50000110.2L714 K715 S716L714-S718 PolarHBondContact O-N 2.91Å; K715-S718 VanDerWaalsContact O-CB 3.27Å; K715-S718 WeakPolarHBondContact O-CB 3.26Å; K715-S718 PolarHBondContact O-N 3.39Å; S716-S718 VanDerWaalsContact C-N 3.27Å; S716-S718 PolarHBondContact O-N 3.07Å
719T59.8Low75.4Confident93 Ų9388.1 Ų88.157%0.57146%0.456SS*.  trans-75.2169.5156.657.70000108.6N717 D721 Q724N717-T719 PolarHBondContact O-N 3.36Å; T719-D721 PolarHBondContact O-N 2.76Å; T719-Q724 PolarHBondContact OG1-OE1 2.82Å; T719-Q724 VanDerWaalsContact OG1-OE1 3.08Å
720H59.1Low75Confident203 Ų20388 Ų8894%0.9445%0.454SS*.SBendtrans-62.117.4179.2-83.2-70.9000115.2Q722H720-Q722 PolarHBondContact O-N 3.17Å
721D67.7Low74.9Confident71 Ų7187.7 Ų87.738%0.3845%0.452SS..  trans-74.5118.6177.6-172.13.4000111.4T719 L723 Q724 K725T719-D721 PolarHBondContact O-N 2.76Å; D721-L723 PolarHBondContact O-N 3.44Å; D721-L723 PolarHBondContact OD1-N 2.97Å; D721-L723 VanDerWaalsContact OD1-N 3.09Å; D721-Q724 HydrophobicContact CB-CB 4.48Å; D721-Q724 HydrophobicContact CB-CG 4.39Å; D721-Q724 PolarHBondContact O-N 3.18Å; D721-K725 PolarHBondContact O-N 3.49Å
722Q68.7Low75.1Confident163 Ų16386.1 Ų86.176%0.76245%0.445SS*.Hα-helixtrans-58.1-31.7177.1-69.2-177-0.600112.1H720 K725 T726H720-Q722 PolarHBondContact O-N 3.17Å; Q722-K725 PolarHBondContact O-N 3.09Å; Q722-T726 WeakPolarHBondContact O-CG2 3.27Å; Q722-T726 PolarHBondContact O-N 3.11Å
723L66.2Low75.3Confident107 Ų10783 Ų8356%0.5643%0.427SS*.Hα-helixtrans-64.1-42.4178-79.7151000111.9D721 K725 T726 L727D721-L723 PolarHBondContact O-N 3.44Å; D721-L723 PolarHBondContact OD1-N 2.97Å; D721-L723 VanDerWaalsContact OD1-N 3.09Å; L723-K725 VanDerWaalsContact C-N 3.34Å; L723-T726 PolarHBondContact O-N 2.86Å; L723-T726 PolarHBondContact O-OG1 3.1Å; L723-L727 PolarHBondContact O-N 2.82Å; L723-L727 VanDerWaalsContact O-N 3.14Å
724Q65.2Low75.7Confident63 Ų6379.2 Ų79.229%0.29441%0.41SS..Hα-helixtrans-64.6-40.3176-75.8-175.5-32.500111.2N717 T719 D721 T726 L727 I728N717-Q724 PolarHBondContact O-NE2 3.46Å; N717-Q724 PolarHBondContact O-OE1 3.44Å; T719-Q724 PolarHBondContact OG1-OE1 2.82Å; T719-Q724 VanDerWaalsContact OG1-OE1 3.08Å; D721-Q724 HydrophobicContact CB-CB 4.48Å; D721-Q724 HydrophobicContact CB-CG 4.39Å; D721-Q724 PolarHBondContact O-N 3.18Å; Q724-T726 PolarHBondContact O-N 2.67Å; Q724-L727 WeakPolarHBondContact O-CB 3.3Å; Q724-L727 PolarHBondContact O-N 2.88Å; Q724-L727 VanDerWaalsContact O-N 3.15Å; Q724-I728 VanDerWaalsContact O-CG1 3.31Å; Q724-I728 WeakPolarHBondContact O-CG1 3.24Å; Q724-I728 PolarHBondContact O-N 3.47Å
725K70.9Confident76.2Confident133 Ų13385.8 Ų85.858%0.57843%0.431SS*.Hα-helixtrans-59.4-46.1175.7-167.5176.2180-178.50112D721 Q722 L723 L727 I728 D729D721-K725 PolarHBondContact O-N 3.49Å; Q722-K725 PolarHBondContact O-N 3.09Å; L723-K725 VanDerWaalsContact C-N 3.34Å; K725-L727 VanDerWaalsContact C-N 3.26Å; K725-L727 PolarHBondContact O-N 3.37Å; K725-I728 PolarHBondContact O-N 3.4Å; K725-D729 VanDerWaalsContact O-CG 3.32Å; K725-D729 PolarHBondContact O-N 2.95Å
726T73.3Confident76.7Confident76 Ų7685.4 Ų85.447%0.46643%0.431SS..Hα-helixtrans-63.1-31.1176.560.20000113.4Q722 L723 Q724 K730Q722-T726 WeakPolarHBondContact O-CG2 3.27Å; Q722-T726 PolarHBondContact O-N 3.11Å; L723-T726 PolarHBondContact O-N 2.86Å; L723-T726 PolarHBondContact O-OG1 3.1Å; Q724-T726 PolarHBondContact O-N 2.67Å; T726-K730 VanDerWaalsContact O-CG 3.29Å; T726-K730 WeakPolarHBondContact O-CG 3.5Å; T726-K730 PolarHBondContact O-N 2.76Å
727L71Confident77.3Confident66 Ų6682.1 Ų82.135%0.34641%0.406SS..Hα-helixtrans-72.5-42176.1-170.470000111.3L714 L723 Q724 K725 D729 K730 Y731L714-L727 HydrophobicContact CD2-CD2 4.47Å; L723-L727 PolarHBondContact O-N 2.82Å; L723-L727 VanDerWaalsContact O-N 3.14Å; Q724-L727 WeakPolarHBondContact O-CB 3.3Å; Q724-L727 PolarHBondContact O-N 2.88Å; Q724-L727 VanDerWaalsContact O-N 3.15Å; K725-L727 VanDerWaalsContact C-N 3.26Å; K725-L727 PolarHBondContact O-N 3.37Å; L727-D729 VanDerWaalsContact C-N 3.33Å; L727-D729 PolarHBondContact O-N 3.11Å; L727-K730 PolarHBondContact O-N 2.79Å; L727-Y731 PolarHBondContact O-N 2.98Å; L727-Y731 VanDerWaalsContact O-N 3.16Å
728I76.4Confident78.4Confident15 Ų1578.4 Ų78.48%0.07738%0.384CS..Hα-helixtrans-60.3-44.1176.5-67.8161.3000110.7F711 L714 K715 Q724 K725 K730 Y731F711-I728 HydrophobicContact CE2-CG2 4.14Å; L714-I728 HydrophobicContact CB-CG1 3.96Å; K715-I728 HydrophobicContact CG-CG2 3.97Å; Q724-I728 VanDerWaalsContact O-CG1 3.31Å; Q724-I728 WeakPolarHBondContact O-CG1 3.24Å; Q724-I728 PolarHBondContact O-N 3.47Å; K725-I728 PolarHBondContact O-N 3.4Å; I728-K730 PolarHBondContact O-N 2.84Å; I728-Y731 PolarHBondContact O-N 3.07Å
729D79.2Confident79.7Confident123 Ų12378.1 Ų78.166%0.65838%0.378SS*.Hα-helixtrans-64.6-26.1-179.2-68.6-22.3000112.6K725 L727K725-D729 VanDerWaalsContact O-CG 3.32Å; K725-D729 PolarHBondContact O-N 2.95Å; L727-D729 VanDerWaalsContact C-N 3.33Å; L727-D729 PolarHBondContact O-N 3.11Å
730K83.3Confident81.2Confident75 Ų7574 Ų7433%0.32635%0.352SS..Hα-helixtrans-86.4-21.7177.2-69.4-179.9172.2-168.30113.7E530 E533 A534 T726 L727 I728E530-K730 HydrophobicContact CB-CB 4.16Å; E530-K730 HydrophobicContact CB-CD 4.36Å; E530-K730 HydrophobicContact CB-CG 3.96Å; E530-K730 HydrophobicContact CG-CD 4.46Å; E530-K730 HydrophobicContact CG-CG 4.23Å; E533-K730 IonicContact OE2-NZ 2.85Å; E533-K730 PolarHBondContact OE2-NZ 3.17Å; A534-K730 HydrophobicContact CB-CB 4.3Å; T726-K730 VanDerWaalsContact O-CG 3.29Å; T726-K730 WeakPolarHBondContact O-CG 3.5Å; T726-K730 PolarHBondContact O-N 2.76Å; L727-K730 PolarHBondContact O-N 2.79Å; I728-K730 PolarHBondContact O-N 2.84Å
731Y88.1Confident82.7Confident24 Ų2465.9 Ų65.99%0.09432%0.315CS..SBendtrans-79.4124.4-173.1-159.1-83.4000111.1A534 L707 Q710 F711 L714 L727 I728A534-Y731 HydrophobicContact CB-CD2 3.87Å; A534-Y731 HydrophobicContact CB-CG 4.44Å; L707-Y731 HydrophobicContact CD2-CE1 3.78Å; Q710-Y731 HydrophobicContact CB-CE1 3.86Å; Q710-Y731 WeakPolarHBondContact CB-OH 3.47Å; F711-Y731 HydrophobicContact CB-CD1 4.4Å; F711-Y731 HydrophobicContact CD2-CD1 4.41Å; L714-Y731 HydrophobicContact CD1-CD1 4.24Å; L714-Y731 HydrophobicContact CD1-CD2 3.67Å; L714-Y731 HydrophobicContact CD1-CE2 4.17Å; L714-Y731 HydrophobicContact CD1-CG 3.72Å; L727-Y731 PolarHBondContact O-N 2.98Å; L727-Y731 VanDerWaalsContact O-N 3.16Å; I728-Y731 PolarHBondContact O-N 3.07Å
732P91.3Very high83.8Confident5 Ų562.5 Ų62.53%0.03230%0.297CS..PPolyproline II helixtrans-75.2137.4-175.831.3-35.3000111.7P531 E535 Q736 W737P531-P732 HydrophobicContact CB-CB 4.33Å; P531-P732 HydrophobicContact CB-CG 4.06Å; E535-P732 HydrophobicContact CG-CG 4.03Å; P732-Q736 HydrophobicContact CB-CB 4.33Å; P732-W737 HydrophobicContact CB-CB 4.24Å
733T93.7Very high84.9Confident30 Ų3055 Ų5518%0.18426%0.262CS..PPolyproline II helixtrans-66.8159.4160.158.80000110.2F711 R735 Q736 W737F711-T733 HydrophobicContact CD1-CG2 4.12Å; F711-T733 HydrophobicContact CD2-CG2 4.38Å; F711-T733 HydrophobicContact CE1-CG2 3.99Å; F711-T733 HydrophobicContact CE2-CG2 4.3Å; F711-T733 HydrophobicContact CG-CG2 4.28Å; F711-T733 HydrophobicContact CZ-CG2 4.09Å; T733-R735 PolarHBondContact O-N 2.89Å; T733-Q736 PolarHBondContact O-N 3.45Å; T733-Q736 WeakPolarHBondContact OG1-CB 3.45Å; T733-Q736 VanDerWaalsContact OG1-CD 3.28Å; T733-Q736 VanDerWaalsContact OG1-CG 3.25Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.42Å; T733-Q736 PolarHBondContact OG1-N 2.89Å; T733-Q736 PolarHBondContact OG1-OE1 2.61Å; T733-W737 PolarHBondContact O-N 3.19Å
734G94.2Very high85.9Confident0 Ų050 Ų500%024%0.235CC..Hα-helixtrans-54.1-39.9177.300000112.6M704 D708 Y738M704-G734 WeakPolarHBondContact CG-O 3.4Å; D708-G734 PolarHBondContact OD1-N 2.77Å; G734-Y738 WeakPolarHBondContact O-CB 3.46Å; G734-Y738 PolarHBondContact O-N 3.42Å
735R93Very high87.1Confident186 Ų18647.1 Ų47.170%0.70222%0.222SC*.Hα-helixtrans-68.4-40.3176.5-170.9174.9-175.9176.30.9113.2T733 N739T733-R735 PolarHBondContact O-N 2.89Å; R735-N739 PolarHBondContact O-N 3.15Å; R735-N739 VanDerWaalsContact O-N 3.11Å; R735-N739 PolarHBondContact O-ND2 2.91Å
736Q92.6Very high88.1Confident108 Ų10840.8 Ų40.851%0.50519%0.194SC..Hα-helixtrans-65.3-45175.9-76.6165.8-35.500111P732 T733 Y738 N739 L740P732-Q736 HydrophobicContact CB-CB 4.33Å; T733-Q736 PolarHBondContact O-N 3.45Å; T733-Q736 WeakPolarHBondContact OG1-CB 3.45Å; T733-Q736 VanDerWaalsContact OG1-CD 3.28Å; T733-Q736 VanDerWaalsContact OG1-CG 3.25Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.42Å; T733-Q736 PolarHBondContact OG1-N 2.89Å; T733-Q736 PolarHBondContact OG1-OE1 2.61Å; Q736-Y738 PolarHBondContact O-N 3.34Å; Q736-N739 PolarHBondContact O-N 2.93Å; Q736-L740 WeakPolarHBondContact O-CB 3.4Å; Q736-L740 PolarHBondContact O-N 2.82Å
737W93.4Very high88.8Confident20 Ų2037.3 Ų37.38%0.07617%0.173CC..Hα-helixtrans-58-48.4174.7170.590.1000111.7V700 K703 M704 L707 P732 T733 N739 L740 Q741V700-W737 HydrophobicContact CG1-CZ3 4.17Å; K703-W737 HydrophobicContact CB-CH2 4.01Å; K703-W737 HydrophobicContact CB-CZ2 4.41Å; K703-W737 HydrophobicContact CB-CZ3 4.23Å; K703-W737 HydrophobicContact CG-CD2 4.15Å; K703-W737 HydrophobicContact CG-CE3 4.17Å; K703-W737 HydrophobicContact CG-CH2 3.61Å; K703-W737 HydrophobicContact CG-CZ2 3.55Å; K703-W737 HydrophobicContact CG-CZ3 3.91Å; M704-W737 HydrophobicContact CG-CE3 3.88Å; M704-W737 HydrophobicContact CG-CZ3 3.91Å; L707-W737 HydrophobicContact CD1-CB 3.33Å; L707-W737 HydrophobicContact CD1-CD2 3.92Å; L707-W737 HydrophobicContact CD1-CE3 4.47Å; L707-W737 HydrophobicContact CD1-CG 3.38Å; P732-W737 HydrophobicContact CB-CB 4.24Å; T733-W737 PolarHBondContact O-N 3.19Å; W737-N739 VanDerWaalsContact C-N 3.32Å; W737-N739 PolarHBondContact O-N 2.88Å; W737-L740 WeakPolarHBondContact O-CB 3.45Å; W737-L740 PolarHBondContact O-N 2.93Å; W737-L740 VanDerWaalsContact O-N 3.08Å; W737-Q741 HydrophobicContact CD2-CG 4.11Å; W737-Q741 HydrophobicContact CH2-CG 4.34Å; W737-Q741 HydrophobicContact CZ2-CG 3.8Å; W737-Q741 WeakPolarHBondContact O-CG 3.42Å; W737-Q741 PolarHBondContact O-N 2.97Å
738Y94.4Very high89.5Confident30 Ų3034.9 Ų34.912%0.11816%0.16CC..Hα-helixtrans-58.4-43.1179.5176.9-106.6000112.4Y692 A693 V700 M704 G734 Q736Y692-Y738 WeakPolarHBondContact CB-OH 3.14Å; Y692-Y738 AromaticContact CD1-CD1 3.83Å; Y692-Y738 HydrophobicContact CD1-CD1 3.83Å; Y692-Y738 AromaticContact CD1-CE1 3.27Å; Y692-Y738 HydrophobicContact CD1-CE1 3.27Å; Y692-Y738 HydrophobicContact CD1-CE2 4.48Å; Y692-Y738 AromaticContact CD1-CZ 3.69Å; Y692-Y738 HydrophobicContact CE1-CD1 4.06Å; Y692-Y738 AromaticContact CE1-CE1 3.8Å; Y692-Y738 HydrophobicContact CE1-CE1 3.8Å; Y692-Y738 HydrophobicContact CG-CE1 4.02Å; A693-Y738 HydrophobicContact CB-CE2 4.24Å; A693-Y738 WeakPolarHBondContact O-CE2 3.41Å; A693-Y738 PolarHBondContact O-OH 2.85Å; V700-Y738 HydrophobicContact CG1-CD2 3.79Å; V700-Y738 HydrophobicContact CG1-CE2 3.91Å; M704-Y738 HydrophobicContact SD-CD2 4.09Å; M704-Y738 HydrophobicContact SD-CG 4.06Å; G734-Y738 WeakPolarHBondContact O-CB 3.46Å; G734-Y738 PolarHBondContact O-N 3.42Å; Q736-Y738 PolarHBondContact O-N 3.34Å
739N92.3Very high90.1Very high49 Ų4934.1 Ų34.126%0.26216%0.156SC..Hα-helixtrans-63.7-46.6173.7-71-18.3000111.5Y692 R735 Q736 W737 Q741 A742 W743Y692-N739 WeakPolarHBondContact CE1-OD1 3.35Å; R735-N739 PolarHBondContact O-N 3.15Å; R735-N739 VanDerWaalsContact O-N 3.11Å; R735-N739 PolarHBondContact O-ND2 2.91Å; Q736-N739 PolarHBondContact O-N 2.93Å; W737-N739 VanDerWaalsContact C-N 3.32Å; W737-N739 PolarHBondContact O-N 2.88Å; N739-Q741 VanDerWaalsContact C-N 3.3Å; N739-Q741 PolarHBondContact O-N 3.49Å; N739-A742 WeakPolarHBondContact O-CB 3.48Å; N739-A742 PolarHBondContact O-N 2.86Å; N739-W743 PolarHBondContact O-N 3.13Å; N739-W743 VanDerWaalsContact O-N 3.17Å
740L90.3Very high90.5Very high7 Ų728.3 Ų28.34%0.03713%0.125CC..Hα-helixtrans-58.7-40-179.2-179.960.3000112.2P528 P531 Q736 W737 A742 W743 R744P528-L740 HydrophobicContact CG-CD1 3.84Å; P531-L740 HydrophobicContact CB-CD2 3.82Å; P531-L740 HydrophobicContact CG-CD2 3.84Å; Q736-L740 WeakPolarHBondContact O-CB 3.4Å; Q736-L740 PolarHBondContact O-N 2.82Å; W737-L740 WeakPolarHBondContact O-CB 3.45Å; W737-L740 PolarHBondContact O-N 2.93Å; W737-L740 VanDerWaalsContact O-N 3.08Å; L740-A742 VanDerWaalsContact C-N 3.26Å; L740-A742 PolarHBondContact O-N 3.32Å; L740-W743 PolarHBondContact O-N 2.88Å; L740-R744 HydrophobicContact CD1-CG 4.3Å; L740-R744 HydrophobicContact CG-CG 4.45Å; L740-R744 WeakPolarHBondContact O-CG 3.47Å; L740-R744 PolarHBondContact O-N 2.96Å
741Q91.1Very high90.3Very high33 Ų3325 Ų2515%0.15411%0.112CC..Hα-helixtrans-59.9-35.5176.2-67-51.8-39.400112.7R668 W737 N739R668-Q741 PolarHBondContact NH2-O 3.03Å; W737-Q741 HydrophobicContact CD2-CG 4.11Å; W737-Q741 HydrophobicContact CH2-CG 4.34Å; W737-Q741 HydrophobicContact CZ2-CG 3.8Å; W737-Q741 WeakPolarHBondContact O-CG 3.42Å; W737-Q741 PolarHBondContact O-N 2.97Å; N739-Q741 VanDerWaalsContact C-N 3.3Å; N739-Q741 PolarHBondContact O-N 3.49Å
742A92.3Very high89.9Confident0 Ų025.5 Ų25.50%011%0.114CC..Hα-helixtrans-71.1-42.6176.300000111.5I690 P691 Y692 N739 L740 A745 I746I690-A742 HydrophobicContact CG2-CB 3.62Å; P691-A742 HydrophobicContact CG-CB 4.42Å; P691-A742 WeakPolarHBondContact CG-O 3.42Å; Y692-A742 HydrophobicContact CD1-CB 3.86Å; Y692-A742 HydrophobicContact CE1-CB 4.03Å; Y692-A742 HydrophobicContact CG-CB 4.36Å; N739-A742 WeakPolarHBondContact O-CB 3.48Å; N739-A742 PolarHBondContact O-N 2.86Å; L740-A742 VanDerWaalsContact C-N 3.26Å; L740-A742 PolarHBondContact O-N 3.32Å; A742-A745 PolarHBondContact O-N 2.94Å; A742-I746 PolarHBondContact O-N 3.2Å; A742-I746 VanDerWaalsContact O-N 3.17Å
743W90.6Very high89.5Confident6 Ų625.2 Ų25.22%0.02311%0.112CC..Hα-helixtrans-66.8-36.5178.9-75.9108000114N739 L740 A745 I746 N747 F770 A775 N778 L779N739-W743 PolarHBondContact O-N 3.13Å; N739-W743 VanDerWaalsContact O-N 3.17Å; L740-W743 PolarHBondContact O-N 2.88Å; W743-A745 VanDerWaalsContact C-N 3.28Å; W743-A745 PolarHBondContact O-N 3.39Å; W743-I746 HydrophobicContact CD2-CD1 4.21Å; W743-I746 HydrophobicContact CE3-CB 4.47Å; W743-I746 HydrophobicContact CE3-CD1 3.9Å; W743-I746 HydrophobicContact CE3-CG2 4.46Å; W743-I746 HydrophobicContact CZ3-CD1 4.28Å; W743-I746 PolarHBondContact O-N 3.45Å; W743-N747 PolarHBondContact O-N 3.33Å; W743-N747 PolarHBondContact O-ND2 3.35Å; W743-F770 AromaticContact CH2-CD1 3.45Å; W743-F770 HydrophobicContact CH2-CD1 3.45Å; W743-F770 VanDerWaalsContact CH2-CD1 3.45Å; W743-F770 AromaticContact CH2-CE1 3.68Å; W743-F770 HydrophobicContact CH2-CE1 3.68Å; W743-F770 HydrophobicContact CZ2-CD1 4.26Å; W743-F770 HydrophobicContact CZ2-CE1 4.36Å; W743-F770 AromaticContact CZ3-CD1 3.94Å; W743-F770 HydrophobicContact CZ3-CD1 3.94Å; W743-F770 AromaticContact CZ3-CE1 3.84Å; W743-F770 HydrophobicContact CZ3-CE1 3.84Å; W743-A775 HydrophobicContact CH2-CB 3.65Å; W743-A775 WeakPolarHBondContact CH2-O 3.22Å; W743-A775 VanDerWaalsContact CZ2-CA 3.42Å; W743-A775 HydrophobicContact CZ2-CB 3.38Å; W743-A775 VanDerWaalsContact CZ2-O 3.3Å; W743-A775 WeakPolarHBondContact CZ2-O 3.49Å; W743-N778 HydrophobicContact CB-CB 3.9Å; W743-N778 HydrophobicContact CD2-CB 3.47Å; W743-N778 VanDerWaalsContact CD2-CB 3.47Å; W743-N778 HydrophobicContact CE3-CB 4Å; W743-N778 HydrophobicContact CG-CB 3.39Å; W743-L779 HydrophobicContact CE3-CD2 4.09Å; W743-L779 HydrophobicContact CE3-CG 4.39Å; W743-L779 HydrophobicContact CZ3-CD2 3.66Å; W743-L779 HydrophobicContact CZ3-CG 3.8Å
744R87.6Confident89.1Confident2 Ų223.9 Ų23.91%0.00810%0.104CC..Hα-helixtrans-58.7-41.3173-73.4178.9-176.8171.53.8111.7E263 L740 N747 Q748E263-R744 IonicContact OE1-CZ 3.95Å; E263-R744 IonicContact OE1-NH1 3.51Å; E263-R744 PolarHBondContact OE1-NH1 3.18Å; E263-R744 IonicContact OE1-NH2 2.64Å; E263-R744 PolarHBondContact OE1-NH2 3.02Å; E263-R744 IonicContact OE2-CZ 3.55Å; E263-R744 IonicContact OE2-NH1 3.52Å; E263-R744 PolarHBondContact OE2-NH1 3.05Å; E263-R744 IonicContact OE2-NH2 3.71Å; L740-R744 HydrophobicContact CD1-CG 4.3Å; L740-R744 HydrophobicContact CG-CG 4.45Å; L740-R744 WeakPolarHBondContact O-CG 3.47Å; L740-R744 PolarHBondContact O-N 2.96Å; R744-N747 PolarHBondContact O-N 2.97Å; R744-Q748 VanDerWaalsContact O-CG 3.31Å; R744-Q748 WeakPolarHBondContact O-CG 3.45Å; R744-Q748 PolarHBondContact O-N 2.97Å
745A89.4Confident88.6Confident2 Ų225.3 Ų25.32%0.01711%0.109CC..Hα-helixtrans-67.1-36.8176.500000112.7R668 P691 A742 W743 Q748 A749R668-A745 HydrophobicContact CG-CB 3.76Å; P691-A745 HydrophobicContact CG-CB 3.83Å; A742-A745 PolarHBondContact O-N 2.94Å; W743-A745 VanDerWaalsContact C-N 3.28Å; W743-A745 PolarHBondContact O-N 3.39Å; A745-Q748 PolarHBondContact O-N 3.49Å; A745-A749 PolarHBondContact O-N 3.22Å; A745-A749 VanDerWaalsContact O-N 3.11Å
746I91.9Very high88.2Confident0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-63.9-50.1173.1-67.6158.6000110.4M667 I687 I690 P691 A742 W743 Q748 A749 V750 F770 L779M667-I746 HydrophobicContact SD-CG1 3.98Å; I687-I746 HydrophobicContact CG2-CG1 4.26Å; I687-I746 HydrophobicContact CG2-CG2 4.45Å; I690-I746 HydrophobicContact CG1-CD1 4.49Å; I690-I746 HydrophobicContact CG2-CD1 4.13Å; P691-I746 HydrophobicContact CG-CD1 4.49Å; P691-I746 HydrophobicContact CG-CG1 4.04Å; A742-I746 PolarHBondContact O-N 3.2Å; A742-I746 VanDerWaalsContact O-N 3.17Å; W743-I746 HydrophobicContact CD2-CD1 4.21Å; W743-I746 HydrophobicContact CE3-CB 4.47Å; W743-I746 HydrophobicContact CE3-CD1 3.9Å; W743-I746 HydrophobicContact CE3-CG2 4.46Å; W743-I746 HydrophobicContact CZ3-CD1 4.28Å; W743-I746 PolarHBondContact O-N 3.45Å; I746-Q748 PolarHBondContact O-N 3.04Å; I746-A749 PolarHBondContact O-N 3.34Å; I746-A749 VanDerWaalsContact O-N 3.09Å; I746-V750 HydrophobicContact CG2-CG2 4.04Å; I746-V750 WeakPolarHBondContact O-CB 3.4Å; I746-V750 VanDerWaalsContact O-CG2 3.3Å; I746-V750 WeakPolarHBondContact O-CG2 3.28Å; I746-V750 PolarHBondContact O-N 3.36Å; I746-F770 HydrophobicContact CD1-CE1 3.81Å; I746-F770 HydrophobicContact CD1-CZ 4.03Å; I746-L779 HydrophobicContact CG2-CD2 4.37Å
747N89Confident88Confident3 Ų318.2 Ų18.22%0.0168%0.08CC..Hα-helixtrans-58.4-34.9179.3-74.3-31.4000112T525 W743 R744 G751 N778 A780 M783T525-N747 HydrophobicContact CG2-CB 4.07Å; W743-N747 PolarHBondContact O-N 3.33Å; W743-N747 PolarHBondContact O-ND2 3.35Å; R744-N747 PolarHBondContact O-N 2.97Å; N747-G751 PolarHBondContact O-N 3.13Å; N747-N778 PolarHBondContact ND2-O 3.47Å; N747-N778 VanDerWaalsContact ND2-O 3.09Å; N747-A780 PolarHBondContact OD1-N 3.47Å; N747-M783 VanDerWaalsContact OD1-CE 3.24Å; N747-M783 WeakPolarHBondContact OD1-CE 3.45Å
748Q86.3Confident87.7Confident14 Ų1421.7 Ų21.77%0.06510%0.096CC..Hα-helixtrans-68.2-43.3173.9-73.8171.51900113.7H260 T525 R744 A745 I746H260-Q748 PolarHBondContact CD2-NE2 3.28Å; H260-Q748 VanDerWaalsContact CG-NE2 3.3Å; H260-Q748 PolarHBondContact NE2-NE2 2.92Å; H260-Q748 VanDerWaalsContact NE2-NE2 3.17Å; T525-Q748 HydrophobicContact CG2-CG 4.02Å; R744-Q748 VanDerWaalsContact O-CG 3.31Å; R744-Q748 WeakPolarHBondContact O-CG 3.45Å; R744-Q748 PolarHBondContact O-N 2.97Å; A745-Q748 PolarHBondContact O-N 3.49Å; I746-Q748 PolarHBondContact O-N 3.04Å
749A88.7Confident87.6Confident0 Ų020.2 Ų20.20%09%0.09CC..Hα-helixtrans-67.5-41.217900000111.2F603 M667 I687 A745 I746 R752F603-A749 HydrophobicContact CD1-CB 4.26Å; F603-A749 HydrophobicContact CD2-CB 3.95Å; F603-A749 HydrophobicContact CE1-CB 4.36Å; F603-A749 HydrophobicContact CE2-CB 4.03Å; F603-A749 HydrophobicContact CG-CB 4.06Å; F603-A749 HydrophobicContact CZ-CB 4.23Å; M667-A749 HydrophobicContact CG-CB 4.23Å; I687-A749 HydrophobicContact CD1-CB 3.88Å; A745-A749 PolarHBondContact O-N 3.22Å; A745-A749 VanDerWaalsContact O-N 3.11Å; I746-A749 PolarHBondContact O-N 3.34Å; I746-A749 VanDerWaalsContact O-N 3.09Å; A749-R752 WeakPolarHBondContact O-CB 3.49Å; A749-R752 WeakPolarHBondContact O-CG 3.34Å; A749-R752 PolarHBondContact O-N 2.92Å
750V86.7Confident87.6Confident1 Ų118.3 Ų18.31%0.0068%0.079CC..Hα-helixtrans-72.2-35.3-179.2173.50000112.5I687 I746 R752 V753 I763 L765 M783I687-V750 HydrophobicContact CD1-CG2 3.88Å; I687-V750 HydrophobicContact CG1-CG2 3.72Å; I746-V750 HydrophobicContact CG2-CG2 4.04Å; I746-V750 WeakPolarHBondContact O-CB 3.4Å; I746-V750 VanDerWaalsContact O-CG2 3.3Å; I746-V750 WeakPolarHBondContact O-CG2 3.28Å; I746-V750 PolarHBondContact O-N 3.36Å; V750-R752 PolarHBondContact O-N 2.63Å; V750-V753 PolarHBondContact O-N 3.27Å; V750-I763 HydrophobicContact CG1-CB 4.4Å; V750-I763 HydrophobicContact CG1-CD1 3.18Å; V750-I763 HydrophobicContact CG1-CG1 3.69Å; V750-I763 HydrophobicContact CG1-CG2 3.87Å; V750-I763 HydrophobicContact CG2-CG2 3.9Å; V750-L765 HydrophobicContact CG2-CD2 4.46Å; V750-M783 HydrophobicContact CB-SD 4.35Å; V750-M783 HydrophobicContact CG1-CE 4.22Å; V750-M783 HydrophobicContact CG1-SD 3.35Å; V750-M783 WeakPolarHBondContact CG1-SD 3.05Å
751G80.3Confident87.7Confident6 Ų618 Ų186%0.0628%0.078CC..THydrogen-bonded Turntrans-62.62.6175.500000115.1T44 N747T44-G751 PolarHBondContact OG1-O 3.34Å; N747-G751 PolarHBondContact O-N 3.13Å
752R78.1Confident87.9Confident33 Ų3316.4 Ų16.413%0.1257%0.07CC..THydrogen-bonded Turntrans-85.4-19.9177.1-56.8-66.7168.9-162.2-15114L601 S672 L675 L677 A749 V750 R755L601-R752 HydrophobicContact CD1-CB 4.45Å; S672-R752 PolarHBondContact O-NE 2.84Å; S672-R752 PolarHBondContact O-NH2 2.94Å; L675-R752 PolarHBondContact O-NH1 3.32Å; L677-R752 VanDerWaalsContact O-O 3.09Å; A749-R752 WeakPolarHBondContact O-CB 3.49Å; A749-R752 WeakPolarHBondContact O-CG 3.34Å; A749-R752 PolarHBondContact O-N 2.92Å; V750-R752 PolarHBondContact O-N 2.63Å; R752-R755 PolarHBondContact O-NE 2.99Å; R752-R755 PolarHBondContact O-NH2 2.88Å
753V83.6Confident88.1Confident0 Ų016.4 Ų16.40%07%0.07CC..SBendtrans-71.4-35.8-174.6-179.60000113.2V685 V750 I763V685-V753 HydrophobicContact CB-CG2 3.54Å; V685-V753 HydrophobicContact CG2-CG2 3.21Å; V750-V753 PolarHBondContact O-N 3.27Å; V753-I763 HydrophobicContact CG2-CG1 3.97Å
754I85.4Confident88.3Confident1 Ų116.1 Ų16.11%0.0057%0.069CC..  trans-118.1119.2-173-55.2-64.1000109.2H548 I550 L555 D759H548-I754 WeakPolarHBondContact CE1-CG2 3.35Å; I550-I754 HydrophobicContact CD1-CD1 4.39Å; I550-I754 HydrophobicContact CD1-CG1 4.17Å; I550-I754 HydrophobicContact CD1-CG2 4.16Å; I550-I754 HydrophobicContact CG2-CG2 3.57Å; L555-I754 HydrophobicContact CD1-CD1 4.21Å; L555-I754 HydrophobicContact CD1-CG1 3.97Å; I754-D759 HydrophobicContact CG2-CB 4.23Å
755R83.5Confident88.8Confident30 Ų3016 Ų1611%0.1137%0.069CC..  trans-114.2-22.7-177.3-59.8-54.1-178.61318.6116G45 L675 D676 L677 A678 R752 D759G45-R755 WeakPolarHBondContact CA-O 3.47Å; L675-R755 PolarHBondContact O-NH1 3.43Å; L675-R755 VanDerWaalsContact O-NH1 3.1Å; L675-R755 PolarHBondContact O-NH2 3.13Å; D676-R755 WeakPolarHBondContact OD1-CD 3.4Å; D676-R755 VanDerWaalsContact OD1-CG 3.29Å; D676-R755 WeakPolarHBondContact OD1-CG 3.3Å; D676-R755 IonicContact OD1-CZ 2.76Å; D676-R755 IonicContact OD1-NE 3.92Å; D676-R755 PolarHBondContact OD1-NE 2.81Å; D676-R755 IonicContact OD1-NH1 3.77Å; D676-R755 PolarHBondContact OD1-NH1 2.82Å; D676-R755 VanDerWaalsContact OD1-NH1 3.14Å; L677-R755 WeakPolarHBondContact O-CG 3.42Å; L677-R755 PolarHBondContact O-NE 2.8Å; A678-R755 HydrophobicContact CB-CB 3.76Å; A678-R755 HydrophobicContact CB-CG 3.87Å; R752-R755 PolarHBondContact O-NE 2.99Å; R752-R755 PolarHBondContact O-NH2 2.88Å; R755-D759 PolarHBondContact N-OD2 3.34Å
756H85.3Confident89.1Confident43 Ų4316 Ų1620%0.1997%0.068CC..SBendtrans-148.8170.2177.253.864.2000111.6D679 K758 D759D679-H756 IonicContact OD1-CE1 2.93Å; D679-H756 PolarHBondContact OD1-CE1 3.43Å; D679-H756 IonicContact OD1-NE2 3.83Å; D679-H756 PolarHBondContact OD1-NE2 3.02Å; D679-H756 IonicContact OD2-CE1 2.62Å; D679-H756 IonicContact OD2-NE2 2.68Å; D679-H756 PolarHBondContact OD2-NE2 3.39Å; H756-K758 PolarHBondContact ND1-N 2.79Å; H756-K758 PolarHBondContact O-N 3.14Å; H756-K758 VanDerWaalsContact O-N 3.1Å; H756-D759 PolarHBondContact CE1-N 2.81Å; H756-D759 PolarHBondContact ND1-N 3.43Å; H756-D759 VanDerWaalsContact ND1-N 3.12Å; H756-D759 VanDerWaalsContact O-CB 3.25Å; H756-D759 WeakPolarHBondContact O-CB 3.43Å; H756-D759 PolarHBondContact O-N 3.15Å
757Y86.8Confident89.3Confident103 Ų10316 Ų1640%0.4047%0.068SC..THydrogen-bonded Turntrans-58.7-26.1-174.180.5-74.7000115.1Y18 Q554Y18-Y757 VanDerWaalsContact OH-CD1 3.26Å; Y18-Y757 WeakPolarHBondContact OH-CD1 3.38Å; Q554-Y757 PolarHBondContact NE2-O 2.95Å; Q554-Y757 PolarHBondContact OE1-O 3.3Å
758K89Confident89.6Confident92 Ų9218.7 Ų18.740%0.48%0.081SC..THydrogen-bonded Turntrans-91-3.2174.7-75.2176168.3171.70114.8H756 Y811H756-K758 PolarHBondContact ND1-N 2.79Å; H756-K758 PolarHBondContact O-N 3.14Å; H756-K758 VanDerWaalsContact O-N 3.1Å; K758-Y811 HydrophobicContact CB-CD1 4.39Å; K758-Y811 HydrophobicContact CG-CD1 4.31Å
759D90.3Very high89.9Confident0 Ų020.8 Ų20.80%09%0.088CC..  trans-79.8154.1-174.6-153.9-2.3000110.3Q554 D679 R683 I754 R755 H756Q554-D759 PolarHBondContact NE2-O 2.9Å; D679-D759 PolarHBondContact N-OD1 2.77Å; D679-D759 PolarHBondContact N-OD2 3.33Å; R683-D759 IonicContact CZ-OD1 2.69Å; R683-D759 IonicContact NH1-OD1 3.93Å; R683-D759 PolarHBondContact NH1-OD1 3.2Å; I754-D759 HydrophobicContact CG2-CB 4.23Å; R755-D759 PolarHBondContact N-OD2 3.34Å; H756-D759 PolarHBondContact CE1-N 2.81Å; H756-D759 PolarHBondContact ND1-N 3.43Å; H756-D759 VanDerWaalsContact ND1-N 3.12Å; H756-D759 VanDerWaalsContact O-CB 3.25Å; H756-D759 WeakPolarHBondContact O-CB 3.43Å; H756-D759 PolarHBondContact O-N 3.15Å
760Y92.9Very high90.2Very high8 Ų820.9 Ų20.93%0.0319%0.089CC..  trans-151152179.862.6-96000110.5Q554 R683 F803 F804 M807 Y811Q554-Y760 VanDerWaalsContact O-CA 3.24Å; Q554-Y760 WeakPolarHBondContact O-CA 3.32Å; Q554-Y760 VanDerWaalsContact O-CB 3.3Å; Q554-Y760 WeakPolarHBondContact O-CB 3.34Å; R683-Y760 PolarHBondContact NH1-O 3.37Å; Y760-F803 HydrophobicContact CD2-CE1 4.1Å; Y760-F803 HydrophobicContact CD2-CZ 4.46Å; Y760-F804 HydrophobicContact CD2-CD1 4.35Å; Y760-F804 HydrophobicContact CD2-CE1 4.35Å; Y760-F804 AromaticContact CE2-CD1 3.93Å; Y760-F804 HydrophobicContact CE2-CD1 3.93Å; Y760-F804 HydrophobicContact CE2-CE1 4.19Å; Y760-M807 HydrophobicContact CD1-CB 3.99Å; Y760-M807 HydrophobicContact CD2-CB 3.45Å; Y760-M807 VanDerWaalsContact CD2-CB 3.45Å; Y760-M807 HydrophobicContact CD2-CG 3.82Å; Y760-M807 HydrophobicContact CE1-CB 4.11Å; Y760-M807 HydrophobicContact CE2-CB 3.61Å; Y760-M807 HydrophobicContact CE2-CG 4.45Å; Y760-M807 HydrophobicContact CG-CB 3.66Å; Y760-M807 HydrophobicContact CG-CG 3.91Å; Y760-M807 HydrophobicContact CG-SD 4.49Å; Y760-Y811 HydrophobicContact CD1-CD2 4.41Å
761G93.5Very high90.5Very high0 Ų022.6 Ų22.60%010%0.103CC..EExtended strand (participates in β ladder)trans-178.2178.4177.500000114Q554 N556 R683 F803Q554-G761 PolarHBondContact O-N 3.36Å; Q554-G761 VanDerWaalsContact O-N 3.14Å; N556-G761 PolarHBondContact N-O 2.75Å; R683-G761 CarbonylContact O-C 3.51Å; R683-G761 WeakPolarHBondContact O-CA 3.5Å; G761-F803 WeakPolarHBondContact O-CZ 3.24Å
762I94.9Very high91.1Very high0 Ų025.1 Ų25.10%012%0.12CC..EExtended strand (participates in β ladder)trans-117.8142.7-176.7-53.3-167.1000110.8N556 R683 G684 V685 Y764 T800 F803 F804N556-I762 HydrophobicContact CB-CB 4.46Å; N556-I762 HydrophobicContact CB-CD1 4.21Å; N556-I762 HydrophobicContact CB-CG1 3.97Å; N556-I762 HydrophobicContact CB-CG2 4.16Å; N556-I762 CarbonylContact O-C 3.56Å; N556-I762 VanDerWaalsContact O-CA 3.32Å; N556-I762 WeakPolarHBondContact O-CA 2.97Å; N556-I762 WeakPolarHBondContact O-CG2 3.19Å; R683-I762 PolarHBondContact O-N 2.98Å; G684-I762 CarbonylContact C-O 3.59Å; G684-I762 VanDerWaalsContact CA-O 3.28Å; G684-I762 WeakPolarHBondContact CA-O 3.22Å; V685-I762 PolarHBondContact N-O 3.29Å; I762-Y764 HydrophobicContact CB-CE2 4.29Å; I762-Y764 HydrophobicContact CG2-CD1 4.07Å; I762-Y764 HydrophobicContact CG2-CD2 4.32Å; I762-Y764 HydrophobicContact CG2-CE1 3.51Å; I762-Y764 HydrophobicContact CG2-CE2 3.82Å; I762-Y764 HydrophobicContact CG2-CG 4.45Å; I762-T800 HydrophobicContact CD1-CG2 3.87Å; I762-F803 HydrophobicContact CD1-CB 4.04Å; I762-F803 HydrophobicContact CD1-CD1 3.43Å; I762-F803 VanDerWaalsContact CD1-CD1 3.43Å; I762-F803 HydrophobicContact CD1-CE1 4.03Å; I762-F803 HydrophobicContact CD1-CG 3.85Å; I762-F803 HydrophobicContact CG1-CD1 3.42Å; I762-F803 VanDerWaalsContact CG1-CD1 3.42Å; I762-F803 HydrophobicContact CG1-CE1 3.45Å; I762-F803 VanDerWaalsContact CG1-CE1 3.45Å; I762-F803 HydrophobicContact CG1-CG 4.1Å; I762-F803 HydrophobicContact CG1-CZ 4.15Å; I762-F804 HydrophobicContact CB-CZ 4.4Å; I762-F804 HydrophobicContact CD1-CD2 4.1Å; I762-F804 HydrophobicContact CD1-CE2 3.51Å; I762-F804 HydrophobicContact CD1-CZ 3.91Å; I762-F804 HydrophobicContact CG1-CE1 4.44Å; I762-F804 HydrophobicContact CG1-CE2 3.86Å; I762-F804 HydrophobicContact CG1-CZ 3.7Å
763I95.2Very high91.6Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-117.5125.3173.4-57153.6000108.3L555 N556 L557 S558 V685 V750 V753 L765 M783L555-I763 HydrophobicContact CD1-CD1 3.57Å; L555-I763 HydrophobicContact CD1-CG1 4.19Å; L555-I763 HydrophobicContact CD2-CD1 3.99Å; L555-I763 HydrophobicContact CG-CD1 4.12Å; N556-I763 PolarHBondContact O-N 3.39Å; L557-I763 WeakPolarHBondContact CA-O 3.31Å; L557-I763 HydrophobicContact CD1-CD1 4.34Å; L557-I763 HydrophobicContact CG-CB 4.18Å; L557-I763 HydrophobicContact CG-CD1 4.46Å; L557-I763 HydrophobicContact CG-CG2 4.33Å; S558-I763 PolarHBondContact N-O 3.5Å; V685-I763 CarbonylContact O-C 3.5Å; V685-I763 WeakPolarHBondContact O-CA 3.44Å; V750-I763 HydrophobicContact CG1-CB 4.4Å; V750-I763 HydrophobicContact CG1-CD1 3.18Å; V750-I763 HydrophobicContact CG1-CG1 3.69Å; V750-I763 HydrophobicContact CG1-CG2 3.87Å; V750-I763 HydrophobicContact CG2-CG2 3.9Å; V753-I763 HydrophobicContact CG2-CG1 3.97Å; I763-L765 HydrophobicContact CG2-CD2 3.87Å; I763-L765 HydrophobicContact CG2-CG 4.32Å; I763-M783 HydrophobicContact CD1-SD 4.17Å
764Y96.6Very high91.7Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-107.5118.9173.1-54.2-73.6000110.1S558 I560 L592 V596 V685 F686 I687 I762 V796 T800S558-Y764 CarbonylContact O-C 3.6Å; S558-Y764 WeakPolarHBondContact O-CA 3.36Å; I560-Y764 HydrophobicContact CD1-CD1 3.89Å; I560-Y764 HydrophobicContact CD1-CG 4.48Å; L592-Y764 HydrophobicContact CD1-CD1 4.09Å; L592-Y764 HydrophobicContact CD1-CE1 4.01Å; L592-Y764 HydrophobicContact CD1-CG 4.41Å; L592-Y764 HydrophobicContact CD2-CE1 4.21Å; V596-Y764 HydrophobicContact CG2-CE2 3.98Å; V685-Y764 PolarHBondContact O-N 3.31Å; F686-Y764 HydrophobicContact CD1-CD2 4.06Å; F686-Y764 HydrophobicContact CD1-CG 4.16Å; F686-Y764 AromaticContact CD2-CD2 3.8Å; F686-Y764 HydrophobicContact CD2-CD2 3.8Å; F686-Y764 HydrophobicContact CD2-CE2 4.45Å; F686-Y764 AromaticContact CE1-CD2 3.66Å; F686-Y764 HydrophobicContact CE1-CD2 3.66Å; F686-Y764 HydrophobicContact CE1-CE2 4.42Å; F686-Y764 AromaticContact CE1-CG 3.75Å; F686-Y764 HydrophobicContact CE1-CG 3.75Å; F686-Y764 AromaticContact CE2-CD2 3.36Å; F686-Y764 HydrophobicContact CE2-CD2 3.36Å; F686-Y764 AromaticContact CE2-CE2 3.67Å; F686-Y764 HydrophobicContact CE2-CE2 3.67Å; F686-Y764 HydrophobicContact CE2-CG 4.29Å; F686-Y764 HydrophobicContact CG-CD2 4.11Å; F686-Y764 AromaticContact CZ-CD2 3.27Å; F686-Y764 HydrophobicContact CZ-CD2 3.27Å; F686-Y764 AromaticContact CZ-CE2 3.64Å; F686-Y764 HydrophobicContact CZ-CE2 3.64Å; F686-Y764 AromaticContact CZ-CG 3.8Å; F686-Y764 HydrophobicContact CZ-CG 3.8Å; I687-Y764 PolarHBondContact N-O 2.99Å; I762-Y764 HydrophobicContact CB-CE2 4.29Å; I762-Y764 HydrophobicContact CG2-CD1 4.07Å; I762-Y764 HydrophobicContact CG2-CD2 4.32Å; I762-Y764 HydrophobicContact CG2-CE1 3.51Å; I762-Y764 HydrophobicContact CG2-CE2 3.82Å; I762-Y764 HydrophobicContact CG2-CG 4.45Å; Y764-V796 HydrophobicContact CD1-CG1 4.13Å; Y764-V796 HydrophobicContact CE1-CG1 3.7Å; Y764-T800 WeakPolarHBondContact OH-CG2 3.49Å; Y764-T800 PolarHBondContact OH-OG1 3.32Å
765L96.6Very high91.8Very high1 Ų135 Ų351%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-100.9100.7173.2-58.5-171.9000108.8L557 S558 I559 I560 I687 V750 I763 D767 F770 L779L557-L765 HydrophobicContact CD2-CD1 3.78Å; L557-L765 HydrophobicContact CD2-CG 4.05Å; S558-L765 PolarHBondContact O-N 3.09Å; I559-L765 HydrophobicContact CG1-CB 4.2Å; I559-L765 HydrophobicContact CG1-CD1 4.19Å; I560-L765 PolarHBondContact N-O 3.38Å; I687-L765 HydrophobicContact CB-CD2 3.73Å; I687-L765 HydrophobicContact CG1-CD2 3.62Å; I687-L765 HydrophobicContact CG2-CD2 4.35Å; V750-L765 HydrophobicContact CG2-CD2 4.46Å; I763-L765 HydrophobicContact CG2-CD2 3.87Å; I763-L765 HydrophobicContact CG2-CG 4.32Å; L765-D767 PolarHBondContact O-N 3.35Å; L765-F770 HydrophobicContact CB-CB 4.13Å; L765-F770 HydrophobicContact CB-CD1 4.26Å; L765-F770 HydrophobicContact CB-CD2 3.62Å; L765-F770 HydrophobicContact CB-CE2 4.06Å; L765-F770 HydrophobicContact CB-CG 3.76Å; L765-F770 HydrophobicContact CD1-CB 4.43Å; L765-F770 HydrophobicContact CD1-CD1 3.94Å; L765-F770 HydrophobicContact CD1-CE1 4.41Å; L765-F770 HydrophobicContact CD1-CG 4.17Å; L765-L779 HydrophobicContact CD1-CD1 4.1Å; L765-L779 HydrophobicContact CD1-CD2 4.41Å
766C96.5Very high92.1Very high0 Ų035.4 Ų35.40%018%0.179CC..  trans-101.470.3-169.1-590000111.5L569 L588 F686 I687 L688L569-C766 HydrophobicContact CD1-CB 4.34Å; L588-C766 HydrophobicContact CD2-CB 4.23Å; F686-C766 VanDerWaalsContact CD1-SG 3.57Å; I687-C766 PolarHBondContact O-N 3.16Å; L688-C766 HydrophobicContact CD2-CB 3.83Å
767D95.5Very high92.1Very high0 Ų037.3 Ų37.30%019%0.19CC..SBendtrans-163.1138.1171.6-165.4-72.7000109.6I560 L569 A571 L765 R769 F770I560-D767 PolarHBondContact O-N 3.03Å; L569-D767 CarbonylContact O-C 3.44Å; L569-D767 WeakPolarHBondContact O-CA 3.46Å; A571-D767 PolarHBondContact N-OD2 3.01Å; L765-D767 PolarHBondContact O-N 3.35Å; D767-R769 PolarHBondContact O-N 2.75Å; D767-R769 VanDerWaalsContact O-N 3.13Å; D767-R769 VanDerWaalsContact OD1-CB 3.29Å; D767-R769 WeakPolarHBondContact OD1-CB 3.49Å; D767-R769 WeakPolarHBondContact OD1-CG 3.3Å; D767-R769 IonicContact OD1-CZ 3.63Å; D767-R769 PolarHBondContact OD1-N 2.92Å; D767-R769 IonicContact OD1-NE 2.8Å; D767-R769 PolarHBondContact OD1-NE 2.94Å; D767-R769 IonicContact OD1-NH2 3.6Å; D767-R769 IonicContact OD2-CZ 3.52Å; D767-R769 IonicContact OD2-NE 3.48Å; D767-R769 PolarHBondContact OD2-NE 3.09Å; D767-R769 IonicContact OD2-NH2 2.72Å; D767-R769 PolarHBondContact OD2-NH2 3.42Å; D767-F770 HydrophobicContact CB-CD2 3.47Å; D767-F770 VanDerWaalsContact CB-CD2 3.47Å; D767-F770 HydrophobicContact CB-CE2 3.55Å; D767-F770 WeakPolarHBondContact O-CB 3.29Å; D767-F770 WeakPolarHBondContact O-CD2 3.02Å; D767-F770 PolarHBondContact O-N 2.78Å; D767-F770 VanDerWaalsContact O-N 3.15Å
768E94.9Very high92.1Very high61 Ų6134.4 Ų34.429%0.28518%0.182SC..G310 helixtrans-59.6-27.8-178.870.5177.516100113.3P561 L569 N570 F770 A771P561-E768 HydrophobicContact CB-CB 3.87Å; L569-E768 PolarHBondContact O-N 2.81Å; N570-E768 HydrophobicContact CB-CG 4.27Å; N570-E768 PolarHBondContact ND2-OE1 2.91Å; E768-F770 PolarHBondContact O-N 2.89Å; E768-A771 WeakPolarHBondContact O-CB 3.06Å; E768-A771 PolarHBondContact O-N 3.41Å; E768-A771 VanDerWaalsContact O-N 3.13Å
769R94.3Very high92Very high58 Ų5830.1 Ų30.122%0.21916%0.163CC..G310 helixtrans-66.2-25.6-178.8-66.4172.6-70.8177.7-2.7112.6I690 D767 A771 S772 A775I690-R769 HydrophobicContact CD1-CB 3.82Å; D767-R769 PolarHBondContact O-N 2.75Å; D767-R769 VanDerWaalsContact O-N 3.13Å; D767-R769 VanDerWaalsContact OD1-CB 3.29Å; D767-R769 WeakPolarHBondContact OD1-CB 3.49Å; D767-R769 WeakPolarHBondContact OD1-CG 3.3Å; D767-R769 IonicContact OD1-CZ 3.63Å; D767-R769 PolarHBondContact OD1-N 2.92Å; D767-R769 IonicContact OD1-NE 2.8Å; D767-R769 PolarHBondContact OD1-NE 2.94Å; D767-R769 IonicContact OD1-NH2 3.6Å; D767-R769 IonicContact OD2-CZ 3.52Å; D767-R769 IonicContact OD2-NE 3.48Å; D767-R769 PolarHBondContact OD2-NE 3.09Å; D767-R769 IonicContact OD2-NH2 2.72Å; D767-R769 PolarHBondContact OD2-NH2 3.42Å; R769-A771 PolarHBondContact O-N 2.87Å; R769-S772 PolarHBondContact O-N 3.18Å; R769-S772 PolarHBondContact O-OG 3.17Å; R769-S772 VanDerWaalsContact O-OG 3.04Å; R769-A775 VanDerWaalsContact O-CB 3.23Å; R769-A775 WeakPolarHBondContact O-CB 2.97Å
770F94.6Very high91.6Very high2 Ų230.2 Ų30.21%0.00916%0.164CC..G310 helixtrans-64.1-25.7175.6-69.8-61.6000112.8I559 I687 I690 W743 I746 L765 D767 E768 S772I559-F770 HydrophobicContact CG1-CB 4.4Å; I559-F770 HydrophobicContact CG2-CB 3.71Å; I687-F770 HydrophobicContact CG2-CE2 4.29Å; I687-F770 HydrophobicContact CG2-CZ 3.85Å; I690-F770 HydrophobicContact CD1-CE1 4.48Å; I690-F770 HydrophobicContact CG1-CE1 3.96Å; I690-F770 HydrophobicContact CG1-CE2 4.3Å; I690-F770 HydrophobicContact CG1-CZ 3.71Å; W743-F770 AromaticContact CH2-CD1 3.45Å; W743-F770 HydrophobicContact CH2-CD1 3.45Å; W743-F770 VanDerWaalsContact CH2-CD1 3.45Å; W743-F770 AromaticContact CH2-CE1 3.68Å; W743-F770 HydrophobicContact CH2-CE1 3.68Å; W743-F770 HydrophobicContact CZ2-CD1 4.26Å; W743-F770 HydrophobicContact CZ2-CE1 4.36Å; W743-F770 AromaticContact CZ3-CD1 3.94Å; W743-F770 HydrophobicContact CZ3-CD1 3.94Å; W743-F770 AromaticContact CZ3-CE1 3.84Å; W743-F770 HydrophobicContact CZ3-CE1 3.84Å; I746-F770 HydrophobicContact CD1-CE1 3.81Å; I746-F770 HydrophobicContact CD1-CZ 4.03Å; L765-F770 HydrophobicContact CB-CB 4.13Å; L765-F770 HydrophobicContact CB-CD1 4.26Å; L765-F770 HydrophobicContact CB-CD2 3.62Å; L765-F770 HydrophobicContact CB-CE2 4.06Å; L765-F770 HydrophobicContact CB-CG 3.76Å; L765-F770 HydrophobicContact CD1-CB 4.43Å; L765-F770 HydrophobicContact CD1-CD1 3.94Å; L765-F770 HydrophobicContact CD1-CE1 4.41Å; L765-F770 HydrophobicContact CD1-CG 4.17Å; D767-F770 HydrophobicContact CB-CD2 3.47Å; D767-F770 VanDerWaalsContact CB-CD2 3.47Å; D767-F770 HydrophobicContact CB-CE2 3.55Å; D767-F770 WeakPolarHBondContact O-CB 3.29Å; D767-F770 WeakPolarHBondContact O-CD2 3.02Å; D767-F770 PolarHBondContact O-N 2.78Å; D767-F770 VanDerWaalsContact O-N 3.15Å; E768-F770 PolarHBondContact O-N 2.89Å; F770-S772 PolarHBondContact O-N 2.89Å
771A93.2Very high91Very high36 Ų3631.6 Ų31.630%0.29818%0.181SC..G310 helixtrans-69.3-19.4-177.600000113.4I559 E768 R769 Q776 V789I559-A771 HydrophobicContact CG2-CB 4.24Å; E768-A771 WeakPolarHBondContact O-CB 3.06Å; E768-A771 PolarHBondContact O-N 3.41Å; E768-A771 VanDerWaalsContact O-N 3.13Å; R769-A771 PolarHBondContact O-N 2.87Å; A771-Q776 PolarHBondContact O-NE2 2.94Å; A771-Q776 VanDerWaalsContact O-NE2 3.16Å; A771-V789 HydrophobicContact CB-CG1 4.11Å; A771-V789 HydrophobicContact CB-CG2 4.36Å
772S91.8Very high90.3Very high60 Ų6033.6 Ų33.642%0.4219%0.188SC..SBendtrans-68.4143.118069.60000112.4R769 F770 N774 A775 Q776R769-S772 PolarHBondContact O-N 3.18Å; R769-S772 PolarHBondContact O-OG 3.17Å; R769-S772 VanDerWaalsContact O-OG 3.04Å; F770-S772 PolarHBondContact O-N 2.89Å; S772-N774 VanDerWaalsContact C-N 3.28Å; S772-N774 PolarHBondContact O-N 2.92Å; S772-A775 WeakPolarHBondContact O-CB 3.36Å; S772-A775 PolarHBondContact O-N 3.19Å; S772-A775 WeakPolarHBondContact OG-CB 3.34Å; S772-A775 PolarHBondContact OG-N 2.83Å; S772-Q776 PolarHBondContact O-N 3.34Å; S772-Q776 VanDerWaalsContact O-N 3.14Å
773N88.5Confident89.9Confident112 Ų11233.7 Ų33.760%0.59919%0.189SC*.Hα-helixtrans-59.6-40.7179.8-168.322.4000111.9A775 Q776 L777N773-A775 VanDerWaalsContact C-N 3.27Å; N773-A775 PolarHBondContact O-N 3.39Å; N773-Q776 PolarHBondContact O-N 3.27Å; N773-L777 WeakPolarHBondContact O-CG 3.47Å; N773-L777 PolarHBondContact O-N 3.31Å
774N87.2Confident89.3Confident123 Ų12336 Ų3666%0.65820%0.2SC*.Hα-helixtrans-60.9-35.2175.9-69-20.7000112.6S772 N778S772-N774 VanDerWaalsContact C-N 3.28Å; S772-N774 PolarHBondContact O-N 2.92Å; N774-N778 PolarHBondContact O-ND2 3.17Å
775A87.3Confident88.5Confident7 Ų741.5 Ų41.56%0.05823%0.233CC..Hα-helixtrans-65.9-48.7174.800000110.9W743 R769 S772 N773 L777 N778W743-A775 HydrophobicContact CH2-CB 3.65Å; W743-A775 WeakPolarHBondContact CH2-O 3.22Å; W743-A775 VanDerWaalsContact CZ2-CA 3.42Å; W743-A775 HydrophobicContact CZ2-CB 3.38Å; W743-A775 VanDerWaalsContact CZ2-O 3.3Å; W743-A775 WeakPolarHBondContact CZ2-O 3.49Å; R769-A775 VanDerWaalsContact O-CB 3.23Å; R769-A775 WeakPolarHBondContact O-CB 2.97Å; S772-A775 WeakPolarHBondContact O-CB 3.36Å; S772-A775 PolarHBondContact O-N 3.19Å; S772-A775 WeakPolarHBondContact OG-CB 3.34Å; S772-A775 PolarHBondContact OG-N 2.83Å; N773-A775 VanDerWaalsContact C-N 3.27Å; N773-A775 PolarHBondContact O-N 3.39Å; A775-L777 VanDerWaalsContact C-N 3.28Å; A775-L777 PolarHBondContact O-N 3.08Å; A775-N778 WeakPolarHBondContact O-CB 3.28Å; A775-N778 PolarHBondContact O-N 3.34Å
776Q88.6Confident87.8Confident37 Ų3744.5 Ų44.517%0.17325%0.247CC..Hα-helixtrans-60.9-35.9-178.6-63.7178.833.800112.5I559 A771 S772 N773 N778 L779 C787I559-Q776 HydrophobicContact CD1-CG 4.04Å; A771-Q776 PolarHBondContact O-NE2 2.94Å; A771-Q776 VanDerWaalsContact O-NE2 3.16Å; S772-Q776 PolarHBondContact O-N 3.34Å; S772-Q776 VanDerWaalsContact O-N 3.14Å; N773-Q776 PolarHBondContact O-N 3.27Å; Q776-N778 PolarHBondContact O-N 3.46Å; Q776-N778 VanDerWaalsContact O-N 3.15Å; Q776-L779 WeakPolarHBondContact O-CB 3.48Å; Q776-L779 PolarHBondContact O-N 3.24Å; Q776-L779 VanDerWaalsContact O-N 3.1Å; Q776-C787 HydrophobicContact CG-CB 4.48Å
777L86.5Confident87.4Confident84 Ų8445.7 Ų45.744%0.4425%0.254SS..THydrogen-bonded Turntrans-63.8-15.5176.3-70.9173.5000114.7Y527 N773 A775 Q784Y527-L777 WeakPolarHBondContact CE1-O 3.48Å; N773-L777 WeakPolarHBondContact O-CG 3.47Å; N773-L777 PolarHBondContact O-N 3.31Å; A775-L777 VanDerWaalsContact C-N 3.28Å; A775-L777 PolarHBondContact O-N 3.08Å; L777-Q784 PolarHBondContact O-NE2 3.44Å
778N86.9Confident87.2Confident41 Ų4151 Ų5122%0.21928%0.278CS..THydrogen-bonded Turntrans-90.2-10.1176.2-68.1-65.7000113.5W743 N747 N774 A775 Q776W743-N778 HydrophobicContact CB-CB 3.9Å; W743-N778 HydrophobicContact CD2-CB 3.47Å; W743-N778 VanDerWaalsContact CD2-CB 3.47Å; W743-N778 HydrophobicContact CE3-CB 4Å; W743-N778 HydrophobicContact CG-CB 3.39Å; N747-N778 PolarHBondContact ND2-O 3.47Å; N747-N778 VanDerWaalsContact ND2-O 3.09Å; N774-N778 PolarHBondContact O-ND2 3.17Å; A775-N778 WeakPolarHBondContact O-CB 3.28Å; A775-N778 PolarHBondContact O-N 3.34Å; Q776-N778 PolarHBondContact O-N 3.46Å; Q776-N778 VanDerWaalsContact O-N 3.15Å
779L86.6Confident87.2Confident2 Ų251.1 Ų51.11%0.0128%0.282CS..SBendtrans-68.5154.1170.2-68.6169.4000109.8L557 W743 I746 L765 Q776 M783 Q784L557-L779 HydrophobicContact CD1-CD1 4.18Å; W743-L779 HydrophobicContact CE3-CD2 4.09Å; W743-L779 HydrophobicContact CE3-CG 4.39Å; W743-L779 HydrophobicContact CZ3-CD2 3.66Å; W743-L779 HydrophobicContact CZ3-CG 3.8Å; I746-L779 HydrophobicContact CG2-CD2 4.37Å; L765-L779 HydrophobicContact CD1-CD1 4.1Å; L765-L779 HydrophobicContact CD1-CD2 4.41Å; Q776-L779 WeakPolarHBondContact O-CB 3.48Å; Q776-L779 PolarHBondContact O-N 3.24Å; Q776-L779 VanDerWaalsContact O-N 3.1Å; L779-M783 HydrophobicContact CB-CB 4.38Å; L779-M783 HydrophobicContact CB-CE 4.36Å; L779-M783 HydrophobicContact CD2-CE 4.22Å; L779-Q784 HydrophobicContact CB-CG 4.23Å; L779-Q784 WeakPolarHBondContact O-CG 3.46Å; L779-Q784 PolarHBondContact O-NE2 2.98Å
780A81.7Confident87.2Confident2 Ų249.3 Ų49.32%0.01728%0.275CS..  trans-57.4143.9173.600000111.2N747 W782 M783 Q784N747-A780 PolarHBondContact OD1-N 3.47Å; A780-W782 PolarHBondContact O-N 3.33Å; A780-M783 HydrophobicContact CB-CE 3.64Å; A780-M783 WeakPolarHBondContact O-CB 3.44Å; A780-M783 PolarHBondContact O-N 2.79Å; A780-Q784 PolarHBondContact O-N 3.31Å
781G80Confident86.9Confident38 Ų3854.9 Ų54.939%0.39231%0.306SS..Hα-helixtrans-53.3-35.7-170.300000114.8M783 Q784G781-M783 PolarHBondContact O-N 2.84Å; G781-Q784 PolarHBondContact O-N 2.96Å
782W79.9Confident86.7Confident41 Ų4156.6 Ų56.616%0.15531%0.31CS..Hα-helixtrans-66.9-19.1178.469.9-88.3000114.1P43 H548 I550 L555 A780P43-W782 HydrophobicContact CG-CG 4.18Å; H548-W782 HydrophobicContact CB-CB 3.93Å; H548-W782 HydrophobicContact CB-CD2 4.15Å; H548-W782 HydrophobicContact CB-CE3 4.13Å; H548-W782 HydrophobicContact CB-CG 4.08Å; H548-W782 AromaticContact CD2-CD2 3.71Å; H548-W782 AromaticContact CD2-CE2 3.9Å; H548-W782 AromaticContact CD2-CE3 3.69Å; H548-W782 AromaticContact CD2-CZ3 3.86Å; I550-W782 HydrophobicContact CD1-CZ3 4.36Å; L555-W782 HydrophobicContact CD1-CH2 4.46Å; L555-W782 HydrophobicContact CD1-CZ3 4.18Å; L555-W782 HydrophobicContact CD2-CE3 4.05Å; L555-W782 HydrophobicContact CD2-CH2 4.13Å; L555-W782 HydrophobicContact CD2-CZ3 3.41Å; L555-W782 VanDerWaalsContact CD2-CZ3 3.41Å; L555-W782 HydrophobicContact CG-CZ3 4.27Å; A780-W782 PolarHBondContact O-N 3.33Å
783M85.3Confident86.7Confident2 Ų253.9 Ų53.91%0.0129%0.29CS..Hα-helixtrans-95.7-29178.4-64.6-171.3-78.500113.5L555 L557 N747 V750 I763 L779 A780 G781 T785 K786L555-M783 HydrophobicContact CD2-CG 4.38Å; L557-M783 HydrophobicContact CD1-CB 3.81Å; L557-M783 HydrophobicContact CD1-CG 4.33Å; L557-M783 HydrophobicContact CD1-SD 4.24Å; N747-M783 VanDerWaalsContact OD1-CE 3.24Å; N747-M783 WeakPolarHBondContact OD1-CE 3.45Å; V750-M783 HydrophobicContact CB-SD 4.35Å; V750-M783 HydrophobicContact CG1-CE 4.22Å; V750-M783 HydrophobicContact CG1-SD 3.35Å; V750-M783 WeakPolarHBondContact CG1-SD 3.05Å; I763-M783 HydrophobicContact CD1-SD 4.17Å; L779-M783 HydrophobicContact CB-CB 4.38Å; L779-M783 HydrophobicContact CB-CE 4.36Å; L779-M783 HydrophobicContact CD2-CE 4.22Å; A780-M783 HydrophobicContact CB-CE 3.64Å; A780-M783 WeakPolarHBondContact O-CB 3.44Å; A780-M783 PolarHBondContact O-N 2.79Å; G781-M783 PolarHBondContact O-N 2.84Å; M783-T785 VanDerWaalsContact C-N 3.26Å; M783-T785 PolarHBondContact O-N 2.84Å; M783-K786 PolarHBondContact O-N 2.97Å
784Q83.7Confident86.9Confident48 Ų4855.1 Ų55.122%0.22429%0.293CS..Hα-helixtrans-55.8-40.9-171.5-64.7179.46.300112.4Y527 L777 L779 A780 G781 K786Y527-Q784 VanDerWaalsContact CE1-NE2 3.32Å; Y527-Q784 PolarHBondContact OH-NE2 2.98Å; L777-Q784 PolarHBondContact O-NE2 3.44Å; L779-Q784 HydrophobicContact CB-CG 4.23Å; L779-Q784 WeakPolarHBondContact O-CG 3.46Å; L779-Q784 PolarHBondContact O-NE2 2.98Å; A780-Q784 PolarHBondContact O-N 3.31Å; G781-Q784 PolarHBondContact O-N 2.96Å; Q784-K786 PolarHBondContact O-N 3.37Å
785T78.8Confident87.3Confident116 Ų11653.7 Ų53.771%0.71229%0.285SS*.THydrogen-bonded Turntrans-73.2-6.1-178.862.80000114.3M783M783-T785 VanDerWaalsContact C-N 3.26Å; M783-T785 PolarHBondContact O-N 2.84Å
786K81.7Confident87.6Confident65 Ų6553.4 Ų53.428%0.28328%0.282SS..THydrogen-bonded Turntrans-110.10.3-173.3-58.1-61.1171.5-178.20114.2P552 L557 M783 Q784 K788P552-K786 VanDerWaalsContact O-CE 3.29Å; P552-K786 WeakPolarHBondContact O-CE 3.33Å; P552-K786 PolarHBondContact O-NZ 2.97Å; P552-K786 VanDerWaalsContact O-NZ 3.15Å; L557-K786 HydrophobicContact CB-CB 4.4Å; M783-K786 PolarHBondContact O-N 2.97Å; Q784-K786 PolarHBondContact O-N 3.37Å; K786-K788 PolarHBondContact O-N 3.33Å
787C87.9Confident87.9Confident24 Ų2453.4 Ų53.416%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-70117.2-178.5-63.10000111.1L557 I559 Q776L557-C787 HydrophobicContact CD2-CB 4.3Å; I559-C787 HydrophobicContact CD1-CB 3.91Å; Q776-C787 HydrophobicContact CG-CB 4.48Å
788K93.1Very high88.3Confident113 Ų11356.1 Ų56.149%0.49129%0.293SS..EExtended strand (participates in β ladder)trans-113.6128.3169.7-68.9-177.4-179.9-178.70109.7L557 I559 K786 Y790L557-K788 PolarHBondContact O-N 3.37Å; I559-K788 PolarHBondContact N-O 2.9Å; K786-K788 PolarHBondContact O-N 3.33Å; K788-Y790 HydrophobicContact CB-CD2 4.24Å; K788-Y790 HydrophobicContact CB-CE2 3.47Å; K788-Y790 VanDerWaalsContact CB-CE2 3.47Å; K788-Y790 HydrophobicContact CD-CE2 4.35Å; K788-Y790 VanDerWaalsContact CD-OH 3.29Å; K788-Y790 WeakPolarHBondContact CD-OH 3.3Å; K788-Y790 WeakPolarHBondContact O-CD2 3.48Å
789V94Very high88.7Confident63 Ų6356.1 Ų56.138%0.38229%0.293SS..EExtended strand (participates in β ladder)trans-96.6126.1178.7-175.40000109.5I559 P561 A771I559-V789 HydrophobicContact CB-CG2 4.12Å; I559-V789 HydrophobicContact CD1-CG2 4.07Å; I559-V789 HydrophobicContact CG2-CG1 4.46Å; I559-V789 HydrophobicContact CG2-CG2 4.38Å; P561-V789 HydrophobicContact CG-CG1 4.25Å; A771-V789 HydrophobicContact CB-CG1 4.11Å; A771-V789 HydrophobicContact CB-CG2 4.36Å
790Y94.1Very high89.1Confident19 Ų1956 Ų568%0.07529%0.292CS..  trans-116.8111.1-177.8-67.3-95.8000111.4S558 I559 P561 K788 N792 L795 V796 D799S558-Y790 VanDerWaalsContact OG-CE2 3.25Å; S558-Y790 WeakPolarHBondContact OG-CE2 3.39Å; I559-Y790 PolarHBondContact O-N 2.83Å; P561-Y790 VanDerWaalsContact CD-O 3.29Å; P561-Y790 WeakPolarHBondContact CD-O 3.08Å; K788-Y790 HydrophobicContact CB-CD2 4.24Å; K788-Y790 HydrophobicContact CB-CE2 3.47Å; K788-Y790 VanDerWaalsContact CB-CE2 3.47Å; K788-Y790 HydrophobicContact CD-CE2 4.35Å; K788-Y790 VanDerWaalsContact CD-OH 3.29Å; K788-Y790 WeakPolarHBondContact CD-OH 3.3Å; K788-Y790 WeakPolarHBondContact O-CD2 3.48Å; Y790-N792 VanDerWaalsContact C-N 3.33Å; Y790-L795 HydrophobicContact CD1-CB 3.86Å; Y790-L795 HydrophobicContact CE1-CB 4.26Å; Y790-V796 HydrophobicContact CD1-CG2 3.71Å; Y790-V796 HydrophobicContact CD2-CG2 3.84Å; Y790-V796 HydrophobicContact CE1-CG2 4.47Å; Y790-V796 HydrophobicContact CG-CB 4.48Å; Y790-V796 HydrophobicContact CG-CG2 3.34Å; Y790-D799 HydrophobicContact CE1-CB 4.46Å; Y790-D799 VanDerWaalsContact CE1-OD2 3.29Å; Y790-D799 WeakPolarHBondContact CE1-OD2 3.49Å; Y790-D799 VanDerWaalsContact CZ-OD2 3.3Å; Y790-D799 PolarHBondContact OH-OD2 3.41Å
791N87.8Confident89.7Confident120 Ų12058.6 Ų58.664%0.64231%0.306SS*.SBendtrans-80.9-14.3176.7-66.6-39.6000113.7
792N90.5Very high90.4Very high71 Ų7161.6 Ų61.638%0.3831%0.31SS..SBendtrans-123.7126.5175.5-177.7-8.2000109Y790 E794 L795Y790-N792 VanDerWaalsContact C-N 3.33Å; N792-E794 VanDerWaalsContact C-N 3.3Å; N792-E794 PolarHBondContact ND2-OE2 3Å; N792-E794 VanDerWaalsContact ND2-OE2 3.14Å; N792-E794 PolarHBondContact O-N 3.44Å; N792-E794 WeakPolarHBondContact OD1-CB 3.45Å; N792-E794 WeakPolarHBondContact OD1-CG 3Å; N792-E794 PolarHBondContact OD1-N 3.42Å; N792-L795 HydrophobicContact CB-CD1 4.39Å; N792-L795 HydrophobicContact CB-CG 4.46Å; N792-L795 PolarHBondContact O-N 2.66Å
793V91.5Very high91.2Very high3 Ų360.5 Ų60.52%0.01831%0.306CS..Hα-helixtrans-65.5-31.6-179-1770000112.1I560 P564 L588 L795 V796 V797I560-V793 HydrophobicContact CG2-CG2 4.41Å; P564-V793 HydrophobicContact CG-CB 4.41Å; P564-V793 HydrophobicContact CG-CG1 4.28Å; P564-V793 HydrophobicContact CG-CG2 4.15Å; L588-V793 HydrophobicContact CD1-CB 4.46Å; L588-V793 HydrophobicContact CD1-CG1 3.56Å; L588-V793 HydrophobicContact CD1-CG2 3.98Å; V793-L795 PolarHBondContact O-N 2.8Å; V793-V796 WeakPolarHBondContact O-CA 3.42Å; V793-V796 WeakPolarHBondContact O-CB 3.35Å; V793-V796 PolarHBondContact O-N 3.23Å; V793-V797 HydrophobicContact CG1-CG2 4.17Å; V793-V797 WeakPolarHBondContact O-CG2 3.27Å; V793-V797 PolarHBondContact O-N 2.54Å
794E92.5Very high91.6Very high138 Ų13860.9 Ų60.965%0.64531%0.308SS*.Hα-helixtrans-58.7-35.9179.3-63.6173.1159.100112.5N792 V797 K798N792-E794 VanDerWaalsContact C-N 3.3Å; N792-E794 PolarHBondContact ND2-OE2 3Å; N792-E794 VanDerWaalsContact ND2-OE2 3.14Å; N792-E794 PolarHBondContact O-N 3.44Å; N792-E794 WeakPolarHBondContact OD1-CB 3.45Å; N792-E794 WeakPolarHBondContact OD1-CG 3Å; N792-E794 PolarHBondContact OD1-N 3.42Å; E794-V797 PolarHBondContact O-N 3.3Å; E794-K798 PolarHBondContact O-N 2.92Å; E794-K798 VanDerWaalsContact O-N 3.1Å
795L94.1Very high92Very high94 Ų9466 Ų6649%0.49233%0.325SS..Hα-helixtrans-68.7-37.7175.9-64.9177000111.5Y790 N792 V793 K798 D799Y790-L795 HydrophobicContact CD1-CB 3.86Å; Y790-L795 HydrophobicContact CE1-CB 4.26Å; N792-L795 HydrophobicContact CB-CD1 4.39Å; N792-L795 HydrophobicContact CB-CG 4.46Å; N792-L795 PolarHBondContact O-N 2.66Å; V793-L795 PolarHBondContact O-N 2.8Å; L795-K798 PolarHBondContact O-N 2.87Å; L795-D799 WeakPolarHBondContact O-CB 3.46Å; L795-D799 PolarHBondContact O-N 3.02Å
796V94.8Very high92.7Very high0 Ų063.7 Ų63.70%031%0.308CS..Hα-helixtrans-63.8-46.1176-173.90000110.2I560 L592 Y764 Y790 V793 K798 D799 T800I560-V796 HydrophobicContact CD1-CG1 3.96Å; I560-V796 HydrophobicContact CD1-CG2 4.19Å; I560-V796 HydrophobicContact CG1-CG2 4.19Å; L592-V796 HydrophobicContact CD1-CG1 4.33Å; L592-V796 HydrophobicContact CD2-CB 4.5Å; L592-V796 HydrophobicContact CD2-CG1 3.9Å; Y764-V796 HydrophobicContact CD1-CG1 4.13Å; Y764-V796 HydrophobicContact CE1-CG1 3.7Å; Y790-V796 HydrophobicContact CD1-CG2 3.71Å; Y790-V796 HydrophobicContact CD2-CG2 3.84Å; Y790-V796 HydrophobicContact CE1-CG2 4.47Å; Y790-V796 HydrophobicContact CG-CB 4.48Å; Y790-V796 HydrophobicContact CG-CG2 3.34Å; V793-V796 WeakPolarHBondContact O-CA 3.42Å; V793-V796 WeakPolarHBondContact O-CB 3.35Å; V793-V796 PolarHBondContact O-N 3.23Å; V796-K798 VanDerWaalsContact C-N 3.33Å; V796-K798 PolarHBondContact O-N 3.04Å; V796-D799 PolarHBondContact O-N 3.26Å; V796-T800 VanDerWaalsContact O-CB 3.23Å; V796-T800 WeakPolarHBondContact O-CB 3.37Å; V796-T800 PolarHBondContact O-N 3.48Å; V796-T800 PolarHBondContact O-OG1 3.48Å
797V95.1Very high93.3Very high38 Ų3861 Ų6123%0.2330%0.297CS..Hα-helixtrans-58.5-46179.5172.50000110.3Q591 L592 V595 V793 E794 T800 D801Q591-V797 HydrophobicContact CB-CG2 4.27Å; L592-V797 HydrophobicContact CD2-CG2 3.82Å; L592-V797 HydrophobicContact CG-CG2 4.48Å; V595-V797 HydrophobicContact CG2-CG1 3.86Å; V793-V797 HydrophobicContact CG1-CG2 4.17Å; V793-V797 WeakPolarHBondContact O-CG2 3.27Å; V793-V797 PolarHBondContact O-N 2.54Å; E794-V797 PolarHBondContact O-N 3.3Å; V797-T800 WeakPolarHBondContact O-CB 3.48Å; V797-T800 PolarHBondContact O-N 2.95Å; V797-D801 PolarHBondContact O-N 3.01Å; V797-D801 VanDerWaalsContact O-N 3.1Å
798K95Very high93.3Very high140 Ų14067.1 Ų67.161%0.60932%0.316SS*.Hα-helixtrans-62.9-49.3176.9-174.6-178.3176.4-176.40112.5E794 L795 V796 T800 D801 E802E794-K798 PolarHBondContact O-N 2.92Å; E794-K798 VanDerWaalsContact O-N 3.1Å; L795-K798 PolarHBondContact O-N 2.87Å; V796-K798 VanDerWaalsContact C-N 3.33Å; V796-K798 PolarHBondContact O-N 3.04Å; K798-T800 PolarHBondContact O-N 3.03Å; K798-D801 PolarHBondContact O-N 3.4Å; K798-E802 PolarHBondContact O-N 3.02Å
799D94.7Very high93.1Very high41 Ų4167.9 Ų67.922%0.21933%0.326CS..Hα-helixtrans-64.7-30.7-179.9-78.615.8000111.9Y790 L795 V796 F803Y790-D799 HydrophobicContact CE1-CB 4.46Å; Y790-D799 VanDerWaalsContact CE1-OD2 3.29Å; Y790-D799 WeakPolarHBondContact CE1-OD2 3.49Å; Y790-D799 VanDerWaalsContact CZ-OD2 3.3Å; Y790-D799 PolarHBondContact OH-OD2 3.41Å; L795-D799 WeakPolarHBondContact O-CB 3.46Å; L795-D799 PolarHBondContact O-N 3.02Å; V796-D799 PolarHBondContact O-N 3.26Å; D799-F803 WeakPolarHBondContact O-CB 3.4Å; D799-F803 PolarHBondContact O-N 3.12Å
800T95.8Very high92.9Very high0 Ų070.9 Ų70.90%033%0.334CS..Hα-helixtrans-66.3-49.9175.3-63.70000111.4V595 V596 I762 Y764 V796 V797 K798 F803 F804V595-T800 HydrophobicContact CB-CG2 4.01Å; V595-T800 HydrophobicContact CG1-CG2 3.59Å; V596-T800 HydrophobicContact CG2-CG2 4.11Å; I762-T800 HydrophobicContact CD1-CG2 3.87Å; Y764-T800 WeakPolarHBondContact OH-CG2 3.49Å; Y764-T800 PolarHBondContact OH-OG1 3.32Å; V796-T800 VanDerWaalsContact O-CB 3.23Å; V796-T800 WeakPolarHBondContact O-CB 3.37Å; V796-T800 PolarHBondContact O-N 3.48Å; V796-T800 PolarHBondContact O-OG1 3.48Å; V797-T800 WeakPolarHBondContact O-CB 3.48Å; V797-T800 PolarHBondContact O-N 2.95Å; K798-T800 PolarHBondContact O-N 3.03Å; T800-F803 PolarHBondContact O-N 3.37Å; T800-F804 HydrophobicContact CG2-CD2 3.89Å; T800-F804 HydrophobicContact CG2-CE2 3.8Å; T800-F804 VanDerWaalsContact O-CD2 3.24Å; T800-F804 WeakPolarHBondContact O-CD2 3.2Å; T800-F804 PolarHBondContact O-N 3.31Å
801D94.3Very high92.6Very high56 Ų5672.1 Ų72.130%0.29934%0.339SS..Hα-helixtrans-61.3-46.1177.5176.756.2000110.9V595 V797 K798 F803 F804 R805V595-D801 HydrophobicContact CG1-CB 3.66Å; V797-D801 PolarHBondContact O-N 3.01Å; V797-D801 VanDerWaalsContact O-N 3.1Å; K798-D801 PolarHBondContact O-N 3.4Å; D801-F803 PolarHBondContact O-N 3.47Å; D801-F804 PolarHBondContact O-N 3.36Å; D801-R805 VanDerWaalsContact CG-CZ 3.46Å; D801-R805 VanDerWaalsContact CG-NE 3.26Å; D801-R805 VanDerWaalsContact CG-NH2 3.32Å; D801-R805 WeakPolarHBondContact O-CB 3.44Å; D801-R805 VanDerWaalsContact O-CG 3.26Å; D801-R805 WeakPolarHBondContact O-CG 3.24Å; D801-R805 PolarHBondContact O-N 3.23Å; D801-R805 IonicContact OD1-CZ 3.14Å; D801-R805 VanDerWaalsContact OD1-CZ 3.28Å; D801-R805 IonicContact OD1-NE 3.82Å; D801-R805 PolarHBondContact OD1-NE 2.99Å; D801-R805 IonicContact OD1-NH2 2.81Å; D801-R805 PolarHBondContact OD1-NH2 2.8Å; D801-R805 IonicContact OD2-CZ 3.42Å; D801-R805 IonicContact OD2-NE 3.47Å; D801-R805 PolarHBondContact OD2-NE 3.15Å; D801-R805 IonicContact OD2-NH1 3.2Å; D801-R805 PolarHBondContact OD2-NH1 3.17Å; D801-R805 IonicContact OD2-NH2 3.39Å; D801-R805 PolarHBondContact OD2-NH2 3.05Å
802E94.9Very high92Very high102 Ų10270.7 Ų70.748%0.47734%0.336SS..Hα-helixtrans-60.9-44.6176.5-175.5176.3170.300112K798 F804 R805 N806K798-E802 PolarHBondContact O-N 3.02Å; E802-F804 PolarHBondContact O-N 3.08Å; E802-R805 PolarHBondContact O-N 3.46Å; E802-N806 WeakPolarHBondContact CG-ND2 3.5Å; E802-N806 WeakPolarHBondContact O-CB 3.4Å; E802-N806 PolarHBondContact O-N 2.69Å; E802-N806 PolarHBondContact O-ND2 2.64Å
803F95.3Very high90.7Very high17 Ų1770.1 Ų70.18%0.07534%0.338CS..Hα-helixtrans-57.2-52.1177.2172.8-90.6000111.6D553 Q554 N556 Y760 G761 I762 D799 T800 D801 R805 N806 M807D553-F803 VanDerWaalsContact O-CE2 3.27Å; D553-F803 WeakPolarHBondContact O-CE2 3.26Å; Q554-F803 WeakPolarHBondContact O-CZ 3.47Å; N556-F803 HydrophobicContact CB-CD2 3.8Å; N556-F803 HydrophobicContact CB-CE2 3.93Å; N556-F803 HydrophobicContact CB-CG 4.25Å; N556-F803 HydrophobicContact CB-CZ 4.5Å; Y760-F803 HydrophobicContact CD2-CE1 4.1Å; Y760-F803 HydrophobicContact CD2-CZ 4.46Å; G761-F803 WeakPolarHBondContact O-CZ 3.24Å; I762-F803 HydrophobicContact CD1-CB 4.04Å; I762-F803 HydrophobicContact CD1-CD1 3.43Å; I762-F803 VanDerWaalsContact CD1-CD1 3.43Å; I762-F803 HydrophobicContact CD1-CE1 4.03Å; I762-F803 HydrophobicContact CD1-CG 3.85Å; I762-F803 HydrophobicContact CG1-CD1 3.42Å; I762-F803 VanDerWaalsContact CG1-CD1 3.42Å; I762-F803 HydrophobicContact CG1-CE1 3.45Å; I762-F803 VanDerWaalsContact CG1-CE1 3.45Å; I762-F803 HydrophobicContact CG1-CG 4.1Å; I762-F803 HydrophobicContact CG1-CZ 4.15Å; D799-F803 WeakPolarHBondContact O-CB 3.4Å; D799-F803 PolarHBondContact O-N 3.12Å; T800-F803 PolarHBondContact O-N 3.37Å; D801-F803 PolarHBondContact O-N 3.47Å; F803-R805 PolarHBondContact O-N 2.9Å; F803-N806 PolarHBondContact O-N 2.99Å; F803-M807 HydrophobicContact CD1-CG 4.18Å; F803-M807 HydrophobicContact CD2-CE 4.37Å; F803-M807 HydrophobicContact CD2-CG 4.15Å; F803-M807 HydrophobicContact CE1-CG 3.85Å; F803-M807 HydrophobicContact CE2-CE 4.21Å; F803-M807 HydrophobicContact CE2-CG 3.83Å; F803-M807 HydrophobicContact CE2-SD 4.39Å; F803-M807 HydrophobicContact CG-CG 4.34Å; F803-M807 HydrophobicContact CZ-CG 3.68Å; F803-M807 WeakPolarHBondContact O-CB 3.31Å; F803-M807 VanDerWaalsContact O-CG 3.3Å; F803-M807 WeakPolarHBondContact O-CG 3.49Å; F803-M807 PolarHBondContact O-N 3.14Å
804F94.2Very high88.9Confident11 Ų1175.1 Ų75.15%0.04837%0.369CS..Hα-helixtrans-68.3-35-176.9-76.6-61.2000112.9V596 P597 R683 Y760 I762 T800 D801 E802 R808V596-F804 HydrophobicContact CB-CE2 4.25Å; V596-F804 HydrophobicContact CG1-CE2 4.13Å; V596-F804 HydrophobicContact CG1-CZ 4.03Å; V596-F804 HydrophobicContact CG2-CE2 4Å; P597-F804 VanDerWaalsContact CD-CD2 3.47Å; P597-F804 HydrophobicContact CG-CB 4.45Å; P597-F804 HydrophobicContact CG-CD1 3.71Å; P597-F804 HydrophobicContact CG-CD2 4.31Å; P597-F804 HydrophobicContact CG-CE1 3.97Å; P597-F804 HydrophobicContact CG-CG 3.9Å; P597-F804 HydrophobicContact CG-CZ 4.38Å; R683-F804 HydrophobicContact CB-CE1 3.91Å; R683-F804 HydrophobicContact CB-CZ 4.13Å; R683-F804 WeakPolarHBondContact O-CZ 3.32Å; Y760-F804 HydrophobicContact CD2-CD1 4.35Å; Y760-F804 HydrophobicContact CD2-CE1 4.35Å; Y760-F804 AromaticContact CE2-CD1 3.93Å; Y760-F804 HydrophobicContact CE2-CD1 3.93Å; Y760-F804 HydrophobicContact CE2-CE1 4.19Å; I762-F804 HydrophobicContact CB-CZ 4.4Å; I762-F804 HydrophobicContact CD1-CD2 4.1Å; I762-F804 HydrophobicContact CD1-CE2 3.51Å; I762-F804 HydrophobicContact CD1-CZ 3.91Å; I762-F804 HydrophobicContact CG1-CE1 4.44Å; I762-F804 HydrophobicContact CG1-CE2 3.86Å; I762-F804 HydrophobicContact CG1-CZ 3.7Å; T800-F804 HydrophobicContact CG2-CD2 3.89Å; T800-F804 HydrophobicContact CG2-CE2 3.8Å; T800-F804 VanDerWaalsContact O-CD2 3.24Å; T800-F804 WeakPolarHBondContact O-CD2 3.2Å; T800-F804 PolarHBondContact O-N 3.31Å; D801-F804 PolarHBondContact O-N 3.36Å; E802-F804 PolarHBondContact O-N 3.08Å; F804-R808 VanDerWaalsContact O-CB 3.27Å; F804-R808 WeakPolarHBondContact O-CB 3.07Å; F804-R808 PolarHBondContact O-N 3.15Å
805R92.8Very high86.7Confident154 Ų15474.1 Ų74.158%0.58137%0.368SS*.Hα-helixtrans-61.1-47.9172-72.6175.3-171.2-168.24111.3D801 E802 F803 N809D801-R805 VanDerWaalsContact CG-CZ 3.46Å; D801-R805 VanDerWaalsContact CG-NE 3.26Å; D801-R805 VanDerWaalsContact CG-NH2 3.32Å; D801-R805 WeakPolarHBondContact O-CB 3.44Å; D801-R805 VanDerWaalsContact O-CG 3.26Å; D801-R805 WeakPolarHBondContact O-CG 3.24Å; D801-R805 PolarHBondContact O-N 3.23Å; D801-R805 IonicContact OD1-CZ 3.14Å; D801-R805 VanDerWaalsContact OD1-CZ 3.28Å; D801-R805 IonicContact OD1-NE 3.82Å; D801-R805 PolarHBondContact OD1-NE 2.99Å; D801-R805 IonicContact OD1-NH2 2.81Å; D801-R805 PolarHBondContact OD1-NH2 2.8Å; D801-R805 IonicContact OD2-CZ 3.42Å; D801-R805 IonicContact OD2-NE 3.47Å; D801-R805 PolarHBondContact OD2-NE 3.15Å; D801-R805 IonicContact OD2-NH1 3.2Å; D801-R805 PolarHBondContact OD2-NH1 3.17Å; D801-R805 IonicContact OD2-NH2 3.39Å; D801-R805 PolarHBondContact OD2-NH2 3.05Å; E802-R805 PolarHBondContact O-N 3.46Å; F803-R805 PolarHBondContact O-N 2.9Å; R805-N809 VanDerWaalsContact O-CG 3.29Å; R805-N809 PolarHBondContact O-N 2.74Å; R805-N809 PolarHBondContact O-ND2 3.28Å
806N93.8Very high84Confident69 Ų6979.3 Ų79.337%0.36938%0.381SS..Hα-helixtrans-65.1-43.5179.9-72.3-20.6000112.1E802 F803 N809 K810E802-N806 WeakPolarHBondContact CG-ND2 3.5Å; E802-N806 WeakPolarHBondContact O-CB 3.4Å; E802-N806 PolarHBondContact O-N 2.69Å; E802-N806 PolarHBondContact O-ND2 2.64Å; F803-N806 PolarHBondContact O-N 2.99Å; N806-N809 PolarHBondContact O-N 3.37Å; N806-K810 PolarHBondContact O-N 3.31Å; N806-K810 VanDerWaalsContact O-N 3.15Å
807M92.7Very high81Confident8 Ų884.1 Ų84.14%0.03941%0.412CS..Hα-helixtrans-68.5-40-179.8-69.2-55125.500112.6D553 Q554 Y760 F803 N809 K810 Y811D553-M807 HydrophobicContact CB-CE 4.07Å; D553-M807 WeakPolarHBondContact O-CE 3.46Å; Q554-M807 HydrophobicContact CG-SD 4.26Å; Y760-M807 HydrophobicContact CD1-CB 3.99Å; Y760-M807 HydrophobicContact CD2-CB 3.45Å; Y760-M807 VanDerWaalsContact CD2-CB 3.45Å; Y760-M807 HydrophobicContact CD2-CG 3.82Å; Y760-M807 HydrophobicContact CE1-CB 4.11Å; Y760-M807 HydrophobicContact CE2-CB 3.61Å; Y760-M807 HydrophobicContact CE2-CG 4.45Å; Y760-M807 HydrophobicContact CG-CB 3.66Å; Y760-M807 HydrophobicContact CG-CG 3.91Å; Y760-M807 HydrophobicContact CG-SD 4.49Å; F803-M807 HydrophobicContact CD1-CG 4.18Å; F803-M807 HydrophobicContact CD2-CE 4.37Å; F803-M807 HydrophobicContact CD2-CG 4.15Å; F803-M807 HydrophobicContact CE1-CG 3.85Å; F803-M807 HydrophobicContact CE2-CE 4.21Å; F803-M807 HydrophobicContact CE2-CG 3.83Å; F803-M807 HydrophobicContact CE2-SD 4.39Å; F803-M807 HydrophobicContact CG-CG 4.34Å; F803-M807 HydrophobicContact CZ-CG 3.68Å; F803-M807 WeakPolarHBondContact O-CB 3.31Å; F803-M807 VanDerWaalsContact O-CG 3.3Å; F803-M807 WeakPolarHBondContact O-CG 3.49Å; F803-M807 PolarHBondContact O-N 3.14Å; M807-N809 PolarHBondContact O-N 3.31Å; M807-K810 PolarHBondContact O-N 3.37Å; M807-Y811 PolarHBondContact O-N 2.95Å; M807-Y811 HydrophobicContact SD-CD2 4.05Å; M807-Y811 HydrophobicContact SD-CE2 4.06Å
808R88.7Confident78.2Confident152 Ų15289.8 Ų89.857%0.57444%0.44SS*.Hα-helixtrans-60.3-34.7176.2-171.6-178.9-67.9-176.4-0.5112F804F804-R808 VanDerWaalsContact O-CB 3.27Å; F804-R808 WeakPolarHBondContact O-CB 3.07Å; F804-R808 PolarHBondContact O-N 3.15Å
809N88.8Confident75.1Confident130 Ų13091 Ų9170%0.69545%0.448SS*.Hα-helixtrans-72.1-39.1176.5-67.6-19.6000112.5R805 N806 M807R805-N809 VanDerWaalsContact O-CG 3.29Å; R805-N809 PolarHBondContact O-N 2.74Å; R805-N809 PolarHBondContact O-ND2 3.28Å; N806-N809 PolarHBondContact O-N 3.37Å; M807-N809 PolarHBondContact O-N 3.31Å
810K89.8Confident71.8Confident125 Ų12593.6 Ų93.654%0.54347%0.469SS..Hα-helixtrans-81.2-37.2-178.3-70.3-173.6-174.8-174.70113.6D553 N806 M807D553-K810 IonicContact OD2-NZ 2.86Å; D553-K810 PolarHBondContact OD2-NZ 3.38Å; N806-K810 PolarHBondContact O-N 3.31Å; N806-K810 VanDerWaalsContact O-N 3.15Å; M807-K810 PolarHBondContact O-N 3.37Å
811Y87.2Confident68.6Low45 Ų45100.4 Ų100.418%0.17651%0.511CS..SBendtrans-128.171.9-175-56.5-79.2000109.5N551 Q554 K758 Y760 M807 S813N551-Y811 PolarHBondContact ND2-OH 3.05Å; Q554-Y811 VanDerWaalsContact CD-CZ 3.5Å; Q554-Y811 HydrophobicContact CG-CD2 4.21Å; Q554-Y811 HydrophobicContact CG-CE2 3.46Å; Q554-Y811 VanDerWaalsContact CG-CE2 3.46Å; Q554-Y811 PolarHBondContact OE1-OH 3.28Å; K758-Y811 HydrophobicContact CB-CD1 4.39Å; K758-Y811 HydrophobicContact CG-CD1 4.31Å; Y760-Y811 HydrophobicContact CD1-CD2 4.41Å; M807-Y811 PolarHBondContact O-N 2.95Å; M807-Y811 HydrophobicContact SD-CD2 4.05Å; M807-Y811 HydrophobicContact SD-CE2 4.06Å; Y811-S813 PolarHBondContact O-N 2.86Å
812P75.4Confident65.4Low90 Ų90101.7 Ų101.758%0.58452%0.524SS*.  trans-60.5132.1175.224.7-32.4000109.6T814P812-T814 PolarHBondContact O-N 3.46Å; P812-T814 VanDerWaalsContact O-N 3.14Å
813S63.5Low62.2Low60 Ų60104 Ų10442%0.4254%0.538SS..  trans-52.9120.5175.7-49.60000108.9Y811Y811-S813 PolarHBondContact O-N 2.86Å
814T54Low59Low108 Ų108109.1 Ų109.166%0.66357%0.571SS**  trans-91.5110.216826.10000106.1P812 R816P812-T814 PolarHBondContact O-N 3.46Å; P812-T814 VanDerWaalsContact O-N 3.14Å; T814-R816 PolarHBondContact O-N 3.14Å
815D46.2Very low55.8Low117 Ų117115.3 Ų115.363%0.62660%0.604SS**  trans-51.2109.6173.4-77.7-38.5000109.6
816R38Very low52.7Low203 Ų203116.4 Ų116.477%0.76662%0.622SS**  trans-82.8123.8155.5-71.7-170.2-168.1-1604.7106.3T814 L818T814-R816 PolarHBondContact O-N 3.14Å; R816-L818 PolarHBondContact O-N 3.28Å
817P31.6Very low49.6Very low101 Ų101119 Ų11966%0.65664%0.64SS**  trans-50.8138.2167.6-21.131000109.1E819P817-E819 HydrophobicContact CB-CG 4.37Å; P817-E819 PolarHBondContact O-N 3.25Å
818L35Very low46.6Very low157 Ų157126.2 Ų126.282%0.82268%0.678SS**  trans-62.580.5164.5-92.499.7000108.7R816R816-L818 PolarHBondContact O-N 3.28Å
819E30.2Very low43.8Very low166 Ų166125.2 Ų125.278%0.77669%0.689SS**  trans-101.3107.5166.3-79.7-172.5166.500109.4P817P817-E819 HydrophobicContact CB-CG 4.37Å; P817-E819 PolarHBondContact O-N 3.25Å
820S26.7Very low40.9Very low94 Ų94123.8 Ų123.866%0.65770%0.695SS**  trans52.285.7154.654.90000118.7
821T28.1Very low38.1Very low144 Ų144124.1 Ų124.188%0.88371%0.708SS**  -90.866.5125.941.40000108.7
822S26.2Very low35.5Very low83 Ų83127.5 Ų127.558%0.5874%0.738SS**  trans-86.6127.7161.651.90000108.1
823I28.8Very low33.4Very low149 Ų149128.7 Ų128.776%0.76475%0.749SS**  trans136.985.8169.6-68.4150.5000102.5
824V28.4Very low31.9Very low126 Ų126134.3 Ų134.376%0.76477%0.773SS**SBend-153.6111.170.7176.30000108
825N25.9Very low30.8Very low140 Ų140141 Ų14175%0.74979%0.786SS**  trans167.471.3150.8-85.7-9.4000108.5
826N27.7Very low30.2Very low178 Ų178140.7 Ų140.795%0.95279%0.793SS**  trans-112.678.2161.5-86.2-2.2000108.3
827T27.9Very low30Very low123 Ų123136.9 Ų136.976%0.75579%0.792SS**  trans-97.2130.4147.29.90000106.6
828L30.7Very low29.9Very low159 Ų159138.7 Ų138.783%0.83280%0.796SS**SBendtrans98.3111.1168.6-56161.4000116.8
829T30.6Very low29.8Very low132 Ų132141.9 Ų141.981%0.8180%0.798SS**  trans80.881.4152.260.40000118.5
830A27.8Very low30Very low100 Ų100140.5 Ų140.583%0.82680%0.801SS**  trans-80.3118.9149.600000109.2
831T30.1Very low30.1Very low131 Ų131145.6 Ų145.680%0.80481%0.811SS**  trans-153.6148.5150.9370000110.5
832S32.3Very low30.4Very low117 Ų117144.2 Ų144.282%0.81881%0.805SS**  trans80.8125.5-17883.30000114.1
833S31.8Very low30.7Very low114 Ų114145.4 Ų145.480%0.79781%0.813SS**  cis-160.7118.412.836.60000109.3
834L32.7Very low30.8Very low179 Ų179146.1 Ų146.194%0.93782%0.818SS**  trans-111.9132.5160.1-91.8159.8000107.7
835R29.3Very low30.9Very low247 Ų247148.1 Ų148.193%0.93282%0.818SS**  trans-54.2126.2-177.5-63.8165173.9174.2-3.5111.7
836S34.8Very low31.1Very low111 Ų111150 Ų15078%0.77682%0.82SS**  trans-170.9118.713658.10000112.3
837V33.1Very low31.3Very low124 Ų124147.3 Ų147.375%0.75282%0.815SS**  37.2106.2127.9-171.30000118.8
838N29.9Very low31.3Very low138 Ų138148.8 Ų148.874%0.73882%0.818SS**  trans69.4125.2136.3-68.4-19.6000123
839R32.7Very low31.4Very low225 Ų225147.2 Ų147.285%0.84982%0.815SS**  trans96.8115.8137.4-77.9174.6178.2-173.7-1119.6
840T33.9Very low31.4Very low137 Ų137148.1 Ų148.184%0.8481%0.813SS**  trans81.3101.1139.252.30000121
841K29.7Very low31.4Very low200 Ų200147.5 Ų147.587%0.8780%0.803SS**  trans-44.8178.8149.7-89.4-178.5179.8-179.30115.2
842P35Very low31.2Very low116 Ų116148.1 Ų148.175%0.75380%0.801SS**  cis-143-168.8-826.10.3000116
843S32.7Very low30.9Very low108 Ų108150.7 Ų150.776%0.75581%0.805SS**  trans105.4102.6149.574.60000117.7
844L29.1Very low30.7Very low164 Ų164150.7 Ų150.786%0.85980%0.802SS**  70.2111.973.9-98.1145.9000115.1
845E31.9Very low30.4Very low167 Ų167147.8 Ų147.878%0.7880%0.797SS**  trans174110.9133.2-95179.7174.700110.4
846K29.5Very low30.3Very low181 Ų181140.3 Ų140.379%0.78779%0.788SS**  72.2111.396.8-77.8-176.3-176.9167.40115.7
847S31.3Very low29.9Very low121 Ų121144.4 Ų144.485%0.84679%0.792SS**  179.7127.2118.557.70000113.8
848N27.9Very low29.5Very low153 Ų153146.7 Ų146.782%0.81879%0.794SS**  trans-54.6151.2176.1-54.3-41.3000116.5
849V32.3Very low29.4Very low126 Ų126147.9 Ų147.976%0.76480%0.8SS**  trans-161.8102.9134.3-179.70000106.8
850I30.6Very low28.9Very low151 Ų151144.7 Ų144.777%0.77480%0.8SS**  56.4132.7100.5-55.4166000112.3
851S28Very low28.6Very low87 Ų87145.1 Ų145.161%0.60880%0.796SS**  cis177.8145.6-15.757.80000105.1
852N26.7Very low28.4Very low144 Ų144143.4 Ų143.477%0.7779%0.789SS**  trans50124.6145.7-56.4-19.8000120.6
853L26.4Very low28Very low171 Ų171142.6 Ų142.690%0.89579%0.785SS**  -174.6158.9123.1-113.393.7000110.1
854P26.9Very low27.7Very low115 Ų115142.7 Ų142.775%0.74778%0.783SS**  trans-120.5-177.4-135.127.9-4.2000114.6
855S26.1Very low27.5Very low117 Ų117144.3 Ų144.382%0.81878%0.783SS**  trans-65136.2170.658.80000114.4
856A28.7Very low27.4Very low90 Ų90142.8 Ų142.874%0.74479%0.785SS**  trans-171.1116.3152.700000106.6
857F26Very low27.1Very low197 Ų197141.6 Ų141.686%0.86479%0.787SS**  42.7122.788.4-100.8-89.3000115
858E24.9Very low27Very low172 Ų172143 Ų14380%0.80479%0.786SS**  trans67.6121.3170.5-57.6-174.5168.700117.1
859L26.4Very low26.8Very low163 Ų163140.7 Ų140.785%0.85378%0.781SS**  trans-169108.6137.1-100.6155.1000111.5
860N24Very low26.7Very low158 Ų158140.5 Ų140.585%0.84578%0.78SS**  trans-47.4125.4157.2-75.5-45.7000111.7
861I27.7Very low26.4Very low147 Ų147138.9 Ų138.975%0.75478%0.777SS**  trans-147.993150.1-52.6-178.3000110.2
862F24.4Very low26.4Very low164 Ų164142.4 Ų142.472%0.71979%0.789SS**  trans-89.3118140.7-98-99.1000106.3
863S25.9Very low26.3Very low98 Ų98142.1 Ų142.169%0.68579%0.786SS**  trans-160.2120.4156.2-168.10000109
864P27.3Very low26.5Very low110 Ų110140.8 Ų140.871%0.71479%0.785SS**  trans-87.5145.9172.133.8-27.7000110.1
865K25Very low26.5Very low198 Ų198139 Ų13986%0.86178%0.776SS**  trans93.9102.1175.9-54.9172-178.4178.90114.6
866V29.4Very low26.7Very low135 Ų135145 Ų14582%0.81878%0.782SS**  -155.9127.1127.6172.10000107.1
867N24Very low26.7Very low156 Ų156148.8 Ų148.883%0.83478%0.784SS**  trans-62.4129.7165.2-77.9-26.5000108.8
868D28.9Very low27Very low151 Ų151144.6 Ų144.681%0.80778%0.779SS**  trans-152.7116147.5-95.2-30.5000111.2
869S24.5Very low27.1Very low104 Ų104143.4 Ų143.473%0.72778%0.778SS**  trans-72.812516944.50000110.3
870V29Very low27.4Very low123 Ų123146.5 Ų146.575%0.74578%0.778SS**  trans-124.499.8161.7-179.50000109.2L872V870-L872 HydrophobicContact CG1-CG 4.36Å
871T24.5Very low27.7Very low116 Ų116144.4 Ų144.471%0.71278%0.776SS**  trans-75.5122.2165-29.50000107.9I873T871-I873 HydrophobicContact CG2-CG1 4.41Å
872L28.6Very low27.9Very low161 Ų161143.8 Ų143.884%0.84378%0.782SS**  trans-112102.5164.1-83.2167.5000108.8V870V870-L872 HydrophobicContact CG1-CG 4.36Å
873I25Very low28.1Very low138 Ų138139.5 Ų139.571%0.70878%0.784SS**  trans-79.7124.4165.3-67.2167.4000106.9T871T871-I873 HydrophobicContact CG2-CG1 4.41Å
874T28.9Very low28.3Very low143 Ų143141 Ų14188%0.87779%0.792SS**  trans-105.6100.715941.90000108.3
875S28.4Very low28.5Very low79 Ų79141.8 Ų141.855%0.55280%0.799SS**  trans-84.4134.1166.945.30000110
876Y28.8Very low28.5Very low241 Ų241141.3 Ų141.395%0.94580%0.797SS**  trans-76.1117.7157.8-98-95.6000107.8
877H28.9Very low28.3Very low170 Ų170142 Ų14279%0.78780%0.796SS**  trans-107.7133.1163-89.7-68.9000108.9
878S32.2Very low28.5Very low110 Ų110143.2 Ų143.277%0.76980%0.796SS**  trans-116.1111.3156.546.70000108.1
879D28.3Very low28.2Very low146 Ų146144.9 Ų144.978%0.78180%0.799SS**  trans32.8120.7150.3-55.4-28000120.7
880R32.1Very low28.2Very low228 Ų228145.3 Ų145.386%0.8680%0.801SS**  169.3116.293.7-86-167.7-177.6-168.6-0.6112.5
881S30.6Very low28Very low114 Ų114147.4 Ų147.480%0.79781%0.808SS**  trans59.9148140.557.40000123.2
882P31.5Very low28.1Very low135 Ų135148.3 Ų148.388%0.87781%0.807SS**  trans-118.9161.6-149.737.3-20.3000114.9
883G28.8Very low27.9Very low74 Ų74148.3 Ų148.376%0.76381%0.807SS**  trans-177.6117.7169.700000112.5
884P30.4Very low27.9Very low130 Ų130151.3 Ų151.384%0.84481%0.811SS**  trans-106.8146.3-165.137.6-29.5000113.6
885S30.3Very low27.8Very low125 Ų125153.2 Ų153.287%0.87481%0.808SS**  trans-165.7134.8150.249.40000112.8
886K26.1Very low27.6Very low188 Ų188159.2 Ų159.282%0.81782%0.824SS**  trans-75.7166-179.8-70.9172.2166.6176.10113.1
887L24.2Very low27.4Very low151 Ų151155.3 Ų155.379%0.79182%0.819SS**  trans73.3112.7150.3-68.3144.2000117.4
888H28.8Very low27.2Very low180 Ų180154.8 Ų154.883%0.83382%0.821SS**  -173.1130.397.7-125.3-77.6000111.5
889E22.9Very low26.8Very low186 Ų186156.1 Ų156.187%0.86983%0.829SS**  trans-61.2134.9158.4-72.9171.9143.800109.6
890C24.8Very low26.7Very low114 Ų114157 Ų15777%0.7783%0.833SS**  trans-148.3108.8153.9-1450000109.2I892C890-I892 PolarHBondContact O-N 2.87Å
891N23.2Very low26.5Very low167 Ų167151.8 Ų151.889%0.89383%0.831SS**  trans-65.3121.9164.2-81.8-36.3000109
892I27.8Very low26.3Very low134 Ų134152.3 Ų152.369%0.68784%0.835SS**  trans-137.4114.8158.9-60.6-177.6000108C890 Y894C890-I892 PolarHBondContact O-N 2.87Å; I892-Y894 HydrophobicContact CG2-CD2 4.05Å; I892-Y894 HydrophobicContact CG2-CE2 4.3Å; I892-Y894 PolarHBondContact O-N 3.06Å
893D23.7Very low26.2Very low161 Ų161150.4 Ų150.486%0.86183%0.831SS**  trans-53.6121.8167.3-85.1-47.7000111.6
894Y25.8Very low26.5Very low202 Ų202148.5 Ų148.579%0.79281%0.805SS**  trans-144.8109.8154.3-99.2-85.4000111.1I892I892-Y894 HydrophobicContact CG2-CD2 4.05Å; I892-Y894 HydrophobicContact CG2-CE2 4.3Å; I892-Y894 PolarHBondContact O-N 3.06Å
895K25.8Very low26.6Very low183 Ų183146.4 Ų146.480%0.79679%0.786SS**  trans35120.5145.5-73.6179174178.50119.4D897K895-D897 PolarHBondContact O-N 3.42Å
896K23.9Very low26.8Very low205 Ų205140.9 Ų140.989%0.89175%0.747SS**  trans-34.4113154.6-79.6172.1170.4171.20112.5
897D25.2Very low27.3Very low159 Ų159135.1 Ų135.185%0.8573%0.725SS**  trans-128.2123.2151.3-86-38.4000109.4K895K895-D897 PolarHBondContact O-N 3.42Å
898L24.8Very low27.8Very low159 Ų159132 Ų13283%0.83271%0.712SS**  trans-67.9127.3175.4-10474000109.4
899C24.7Very low28Very low137 Ų137127.9 Ų127.993%0.92670%0.699SS**  trans-112.8113.7163.4-133.10000108.8
900L24.8Very low28.4Very low166 Ų166123.2 Ų123.287%0.86968%0.675SS**PPolyproline II helixtrans-72.3126.7-176.5-77.9126.7000111.4
901S27.8Very low28.8Very low118 Ų118122 Ų12283%0.82566%0.66SS**PPolyproline II helixtrans-88.3122.8169.764.50000110.4
902S27Very low29Very low124 Ų124118.9 Ų118.987%0.86764%0.64SS**PPolyproline II helixtrans-47.9119.4-177.453.40000115.6
903A29.2Very low29Very low96 Ų96117.5 Ų117.579%0.79364%0.641SS**PPolyproline II helixtrans-92.1137.1167.500000110.5
904S34.6Very low29.1Very low33 Ų33117.4 Ų117.423%0.23164%0.636CS.*PPolyproline II helixtrans-77.1141.6-176.4160.90000112E291 F906 D907E291-S904 WeakPolarHBondContact OE1-CB 3.47Å; E291-S904 PolarHBondContact OE1-OG 3.36Å; S904-F906 PolarHBondContact O-N 2.77Å; S904-D907 PolarHBondContact O-N 3.23Å
905I34.4Very low29.2Very low87 Ų87114.8 Ų114.845%0.44664%0.635SS.*THydrogen-bonded Turntrans-59.4-17.1-176.1-143.1163.9000113.8L294 T908L294-I905 HydrophobicContact CD1-CG2 3.51Å; I905-T908 WeakPolarHBondContact O-CB 3.31Å; I905-T908 PolarHBondContact O-OG1 3.39Å
906F34.3Very low29.3Very low9 Ų9112.7 Ų112.74%0.03963%0.632CS.*Hα-helixtrans-85.6-19.7-178.1-85.7-70.9000114.8C290 E291 L294 I349 S904 T908C290-F906 HydrophobicContact CB-CD2 4.41Å; C290-F906 HydrophobicContact CB-CE1 4.15Å; C290-F906 HydrophobicContact CB-CE2 3.7Å; C290-F906 HydrophobicContact CB-CZ 3.53Å; C290-F906 VanDerWaalsContact O-CE2 3.3Å; C290-F906 WeakPolarHBondContact O-CE2 3.5Å; E291-F906 HydrophobicContact CG-CD2 3.76Å; E291-F906 HydrophobicContact CG-CE2 4.28Å; L294-F906 HydrophobicContact CB-CE2 4.01Å; L294-F906 HydrophobicContact CB-CZ 4.41Å; L294-F906 HydrophobicContact CD1-CD2 3.76Å; L294-F906 HydrophobicContact CD1-CE1 3.88Å; L294-F906 HydrophobicContact CD1-CE2 3Å; L294-F906 HydrophobicContact CD1-CG 4.47Å; L294-F906 HydrophobicContact CD1-CZ 3.09Å; L294-F906 HydrophobicContact CD2-CZ 4.23Å; L294-F906 HydrophobicContact CG-CD2 4.49Å; L294-F906 HydrophobicContact CG-CE1 4.41Å; L294-F906 HydrophobicContact CG-CE2 3.36Å; L294-F906 HydrophobicContact CG-CZ 3.32Å; I349-F906 HydrophobicContact CD1-CE1 4.05Å; I349-F906 HydrophobicContact CG1-CE1 4.16Å; S904-F906 PolarHBondContact O-N 2.77Å; F906-T908 PolarHBondContact O-N 3.16Å
907D36.4Very low29.5Very low67 Ų67110.8 Ų110.836%0.35863%0.631SS.*Hα-helixtrans-72.5-18.1172.4-66.5-35.2000110.1K287 S904 I911K287-D907 IonicContact NZ-OD1 3.92Å; K287-D907 PolarHBondContact NZ-OD1 3.44Å; K287-D907 IonicContact NZ-OD2 3.23Å; K287-D907 PolarHBondContact NZ-OD2 3.48Å; S904-D907 PolarHBondContact O-N 3.23Å; D907-I911 WeakPolarHBondContact O-CD1 3.43Å; D907-I911 WeakPolarHBondContact O-CG1 3.45Å
908T33.5Very low29.6Very low85 Ų85111.4 Ų111.452%0.52163%0.629SS.*Hα-helixtrans-76.7-32.2175.9-400000113.4I905 F906I905-T908 WeakPolarHBondContact O-CB 3.31Å; I905-T908 PolarHBondContact O-OG1 3.39Å; F906-T908 PolarHBondContact O-N 3.16Å
909V34.4Very low29.8Very low94 Ų94110.9 Ų110.957%0.5763%0.627SS**Hα-helixtrans-81.2-24.5-172.4-179.90000113.4
910Y31.3Very low29.9Very low88 Ų88114.5 Ų114.535%0.34563%0.627SS.*SBendtrans-96-6.8-178-100.7-82.5000114.4I349 G353I349-Y910 HydrophobicContact CG2-CE2 3.95Å; I349-Y910 PolarHBondContact O-OH 3.3Å; G353-Y910 WeakPolarHBondContact CA-OH 3.36Å; G353-Y910 PolarHBondContact N-OH 2.95Å
911I32.5Very low29.9Very low89 Ų89116.8 Ų116.846%0.45663%0.626SS.*SBendtrans-98.1-9.7-173.6-67.6-178.9000111.8D907 S913 L937D907-I911 WeakPolarHBondContact O-CD1 3.43Å; D907-I911 WeakPolarHBondContact O-CG1 3.45Å; I911-S913 PolarHBondContact O-N 3.4Å; I911-L937 HydrophobicContact CG2-CB 3.84Å; I911-L937 HydrophobicContact CG2-CD1 4.33Å; I911-L937 HydrophobicContact CG2-CD2 3.81Å; I911-L937 HydrophobicContact CG2-CG 4.18Å; I911-L937 WeakPolarHBondContact O-CD1 3.3Å; I911-L937 WeakPolarHBondContact O-CD2 3.34Å
912E27.7Very low29.8Very low101 Ų101117.8 Ų117.847%0.47262%0.62SS.*THydrogen-bonded Turntrans-89.115.6-174.6-81.5-173.4166.100117.2L937E912-L937 HydrophobicContact CB-CD1 4.23Å; E912-L937 HydrophobicContact CG-CD1 3.47Å; E912-L937 VanDerWaalsContact CG-CD1 3.47Å
913S27.6Very low29.8Very low104 Ų104116.3 Ų116.373%0.72761%0.61SS**THydrogen-bonded Turntrans-117.811-176.4630000117.8I911I911-S913 PolarHBondContact O-N 3.4Å
914E26.1Very low29.6Very low160 Ų160118.6 Ų118.675%0.74861%0.609SS**  trans-137.2112.8176.1-71.5-169163.800115.5
915N27.4Very low29.1Very low146 Ų146121.9 Ų121.978%0.78163%0.631SS**  trans100.4108.2158.6-57-59.5000119
916I27.2Very low28.6Very low139 Ų139125.1 Ų125.171%0.71365%0.649SS**  -177.1126.698-81.4150.7000109.3
917D28.2Very low28.2Very low165 Ų165130.1 Ų130.188%0.88269%0.685SS**  trans-146.899.7149.4-134.9-4.4000110
918Q28.4Very low27.7Very low173 Ų173138.3 Ų138.381%0.80871%0.713SS**  trans-146.9109.8155.9-82.5-164.9-8.200109.7
919N27.3Very low27.4Very low147 Ų147138.2 Ų138.279%0.78672%0.716SS**  trans75.6105.8153.3-60.6-29.6000120.4
920K27.1Very low27Very low213 Ų213139.4 Ų139.493%0.92673%0.728SS**  -167142.1117.3-116.5176.1179.1178.90115
921Y25.9Very low26.9Very low214 Ų214140.2 Ų140.284%0.83974%0.738SS**  trans-72146.6173.2-96.9-104.7000113.4
922I25.5Very low26.9Very low140 Ų140143.3 Ų143.372%0.71875%0.754SS**  trans84.5122.3141.4-67.3162000121.3
923S26.1Very low27Very low93 Ų93144.4 Ų144.465%0.6576%0.763SS**  trans73.6118.4146.168.90000122.2
924D25.4Very low27.1Very low143 Ų143146.1 Ų146.177%0.76576%0.759SS**  trans84.6103.8132.4-63.1-9.3000121.1
925C23.4Very low27.4Very low103 Ų103146.6 Ų146.670%0.69676%0.761SS**  69.6112.7123.6-61.90000119.9
926N24.1Very low27.6Very low154 Ų154148 Ų14882%0.82476%0.761SS**  trans91.3136.3140.3-62.7-24.6000119.6
927S26.9Very low27.7Very low115 Ų115144.5 Ų144.580%0.80474%0.743SS**  trans90.3105160.572.60000118.9
928Y25.9Very low27.8Very low238 Ų238143.9 Ų143.993%0.93374%0.739SS**  trans23.7139.6135.6-88.1-94.9000121.7
929S26.4Very low27.9Very low84 Ų84144.1 Ų144.159%0.58774%0.74SS**  trans112.983.9147.8-153.50000117.6D931S929-D931 PolarHBondContact O-N 3.43Å; S929-D931 PolarHBondContact OG-OD2 3.02Å
930S26.5Very low28.1Very low118 Ų118149.3 Ų149.383%0.82575%0.748SS**  45.84.4116.3-156.40000124.6
931D28.2Very low28.2Very low106 Ų106148.3 Ų148.357%0.56774%0.744SS**  trans-124.822.4-163.2-64.7-46.8000118.2S929S929-D931 PolarHBondContact O-N 3.43Å; S929-D931 PolarHBondContact OG-OD2 3.02Å
932I32.7Very low28.3Very low154 Ų154144 Ų14479%0.7974%0.742SS**SBendtrans-135.438.2-174-38.6178.5000114
933L30.9Very low28.5Very low123 Ų123143.8 Ų143.864%0.64475%0.752SS**SBendtrans-112.5-20.3164.9-13783000112.6Q935L933-Q935 PolarHBondContact O-N 3.4Å
934E29.7Very low28.6Very low140 Ų140148 Ų14865%0.65476%0.759SS**THydrogen-bonded Turntrans-77.3-17.5-173-116.3177.5163.100115
935Q31.5Very low28.6Very low170 Ų170148.1 Ų148.179%0.79475%0.748SS**THydrogen-bonded Turntrans-94.2-4.5-171.8-81.6-172.4-6.800116.2L933L933-Q935 PolarHBondContact O-N 3.4Å
936K31.5Very low28.8Very low177 Ų177149.7 Ų149.777%0.7775%0.748SS**SBendtrans-111.8-4.4-179.2-76.1-172.9177.4176.80115.9
937L30.2Very low28.9Very low65 Ų65149.1 Ų149.134%0.3474%0.739SS.*SBendtrans-100-1.6-177-67.9171.5000114.4I911 E912 Q939I911-L937 HydrophobicContact CG2-CB 3.84Å; I911-L937 HydrophobicContact CG2-CD1 4.33Å; I911-L937 HydrophobicContact CG2-CD2 3.81Å; I911-L937 HydrophobicContact CG2-CG 4.18Å; I911-L937 WeakPolarHBondContact O-CD1 3.3Å; I911-L937 WeakPolarHBondContact O-CD2 3.34Å; E912-L937 HydrophobicContact CB-CD1 4.23Å; E912-L937 HydrophobicContact CG-CD1 3.47Å; E912-L937 VanDerWaalsContact CG-CD1 3.47Å; L937-Q939 PolarHBondContact O-N 3.07Å
938L31Very low29.1Very low151 Ų151151.5 Ų151.579%0.79174%0.741SS**SBendtrans-90.919.8-176.9-78.2161.2000115.3
939Q29.8Very low29Very low179 Ų179147.1 Ų147.184%0.83673%0.731SS**  trans-132.874.2177.4-67.2-171.111.900113.5L937L937-Q939 PolarHBondContact O-N 3.07Å
940R31.5Very low29Very low255 Ų255150.9 Ų150.996%0.96274%0.739SS**  trans-158.7116.4151.1-104.2153.5-162.3-145.35.9111.7
941K29Very low29.2Very low192 Ų192154.9 Ų154.984%0.83575%0.745SS**  trans-76.9160.9-174.9-81.2178.3177.8177.40112.4C943K941-C943 PolarHBondContact O-N 3.49Å
942P27.7Very low29.1Very low124 Ų124158.7 Ų158.781%0.80576%0.757SS**  trans-64.3126.7-17527.2-34.7000111K944P942-K944 PolarHBondContact O-N 3.35Å
943C30.7Very low28.9Very low135 Ų135157.5 Ų157.591%0.91275%0.752SS**  trans-69.794-177.9-80.70000111.6K941 R945K941-C943 PolarHBondContact O-N 3.49Å; C943-R945 PolarHBondContact O-N 3.46Å
944K27.2Very low28.7Very low183 Ų183158.6 Ų158.680%0.79676%0.758SS**  trans-59.2114.5146.1-77.1-178.9175.4-179.70108.3P942 I946P942-K944 PolarHBondContact O-N 3.35Å; K944-I946 PolarHBondContact O-N 3.24Å; K944-I946 VanDerWaalsContact O-N 3.15Å
945R25.6Very low28.4Very low144 Ų144156.8 Ų156.854%0.54376%0.76SS.*  trans-19.3103.1154.7-171.2174.6173.4165.5-7.4114V490 G491 T492 C943V490-R945 PolarHBondContact O-NE 2.85Å; V490-R945 PolarHBondContact O-NH2 3.28Å; G491-R945 VanDerWaalsContact C-NH2 3.3Å; T492-R945 VanDerWaalsContact CA-NH2 3.25Å; T492-R945 VanDerWaalsContact CB-CZ 3.47Å; T492-R945 VanDerWaalsContact CB-NH2 3.26Å; T492-R945 PolarHBondContact OG1-NH1 2.75Å; T492-R945 PolarHBondContact OG1-NH2 3.03Å; C943-R945 PolarHBondContact O-N 3.46Å
946I28.4Very low28.1Very low137 Ų137156.4 Ų156.470%0.70376%0.762SS**  trans-135112.5169.6-66.2174.8000108.8K944 L948K944-I946 PolarHBondContact O-N 3.24Å; K944-I946 VanDerWaalsContact O-N 3.15Å; I946-L948 HydrophobicContact CG2-CD1 4.17Å; I946-L948 HydrophobicContact CG2-CG 4.08Å
947K26.1Very low27.8Very low142 Ų142157.3 Ų157.362%0.61777%0.767SS**  trans-69.4133.8157.3-97.3-176-175.2167.80108.1V490V490-K947 HydrophobicContact CB-CD 4.16Å; V490-K947 HydrophobicContact CG1-CB 4.31Å; V490-K947 HydrophobicContact CG1-CD 3.43Å; V490-K947 VanDerWaalsContact CG1-CD 3.43Å; V490-K947 VanDerWaalsContact CG1-CE 3.47Å; V490-K947 HydrophobicContact CG1-CG 3.65Å; V490-K947 HydrophobicContact CG2-CB 4.19Å; V490-K947 HydrophobicContact CG2-CD 3.68Å; V490-K947 HydrophobicContact CG2-CG 4.26Å
948L29.6Very low27.6Very low165 Ų165162.6 Ų162.686%0.86479%0.794SS**  trans-133.3121.9156.1-87.2164.6000109.3I946I946-L948 HydrophobicContact CG2-CD1 4.17Å; I946-L948 HydrophobicContact CG2-CG 4.08Å
949M25.8Very low27.4Very low145 Ų145159.5 Ų159.571%0.71479%0.785SS**  trans-79.8151.5174-92.6177.160.500111.5
950E25.5Very low27.2Very low164 Ų164158.7 Ų158.777%0.76678%0.781SS**  trans57.2117.5146.4-68.5-179.4167.200119.8
951Q29.7Very low26.9Very low201 Ų201152.3 Ų152.394%0.93977%0.766SS**  -158.5130.4118.4-106.217024.600113.2
952K27.6Very low26.7Very low187 Ų187148.9 Ų148.981%0.81376%0.761SS**  trans-48.5151.1173.9-79.1168.5168.1170.50116.9
953N27.4Very low26.7Very low129 Ų129148.5 Ų148.569%0.6976%0.761SS**  124.4122.7126.9-77.2-26.2000117.3
954N26.5Very low26.4Very low145 Ų145147.1 Ų147.178%0.77575%0.754SS**  trans61.7139.5130.3-66-8.9000118.9
955C24.4Very low26.4Very low102 Ų102144.5 Ų144.569%0.68975%0.753SS**  cis-174.8168.41.5-148.20000108
956L25Very low26.3Very low162 Ų162143.8 Ų143.885%0.84877%0.765SS**  trans88.2111.6147.7-66.4154.7000121
957K26Very low26.3Very low197 Ų197144.3 Ų144.386%0.85777%0.774SS**  trans-60.5155.1156.2-63174.9174-179.60111.6
958L26.1Very low26.3Very low175 Ų175143.4 Ų143.492%0.91678%0.775SS**  trans-158.5144.4139-101.5154.4000110.2
959S25.9Very low26.3Very low87 Ų87140.1 Ų140.161%0.60876%0.762SS**  trans-106.8168.3-162.448.30000112.9
960E25.7Very low26.4Very low161 Ų161141.4 Ų141.475%0.75277%0.771SS**  trans70.8141.6149.4-79.2177.5-149.500117.1
961N25.2Very low26.8Very low121 Ų121138.8 Ų138.865%0.64776%0.763SS**  cis-168.4149.924.7-106.7-27.9000111.2
962V25.2Very low27.4Very low121 Ų121134.1 Ų134.173%0.73374%0.744SS**  trans65.1113.5133.3-176.40000120.7
963S27Very low28.4Very low115 Ų115130.2 Ų130.280%0.80474%0.74SS**  168.7136.1112.7-72.40000114.3
964S24.9Very low29.5Very low107 Ų107127.1 Ų127.175%0.74873%0.729SS**  trans-64.6141.5-177.847.20000117.5
965T26.6Very low30.7Very low127 Ų127124.4 Ų124.478%0.77971%0.714SS**  trans-168.8113.8135.84.50000113
966T24.4Very low32.5Very low129 Ų129121.5 Ų121.579%0.79170%0.695SS**  trans32106.4144.539.30000120
967T28.6Very low34.4Very low148 Ų148117.1 Ų117.191%0.90868%0.678SS**  trans-153132.7144.621.30000110.5
968I26.2Very low36.4Very low123 Ų123115 Ų11563%0.63167%0.668SS**  trans-96116.8-170.2-70.6171.6000108.3
969V28.2Very low38.9Very low97 Ų97107.1 Ų107.159%0.58863%0.627SS**  trans58.988.7152.4-167.20000117.3
970D27.6Very low41.3Very low171 Ų171105.1 Ų105.191%0.91461%0.609SS**  trans-113.990.5156.1-84.7-36.1000108.8
971N33.7Very low43.7Very low110 Ų110101.8 Ų101.859%0.58860%0.599SS**  trans-84.4124171.3-81.2-13.7000109.7
972D43.1Very low46Very low102 Ų10299.6 Ų99.655%0.54559%0.587SS.*  trans52.673.5168.5-72.4-31000118.8S974 L975 S976D972-S974 PolarHBondContact O-N 3.1Å; D972-L975 HydrophobicContact CB-CB 4.21Å; D972-L975 HydrophobicContact CB-CD1 4.16Å; D972-L975 PolarHBondContact O-N 3.19Å; D972-S976 PolarHBondContact O-N 3.48Å
973S49Very low48.5Very low105 Ų10593.9 Ų93.973%0.73455%0.552SS**Hα-helixtrans-56.4-27.4167.263.20000113.4S976 S977S973-S976 PolarHBondContact O-OG 3.45Å; S973-S977 WeakPolarHBondContact O-CB 3.34Å; S973-S977 PolarHBondContact O-N 3.44Å
974S50.7Low51Low64 Ų6493.3 Ų93.345%0.44854%0.535SS..Hα-helixtrans-77.4-41.6-177.51090000113.7D972 K978D972-S974 PolarHBondContact O-N 3.1Å; S974-K978 WeakPolarHBondContact O-CG 3.38Å; S974-K978 PolarHBondContact O-N 2.94Å
975L50.3Low53.3Low88 Ų8891.2 Ų91.246%0.46152%0.521SS..Hα-helixtrans-70.3-40.2177.4-94.6107.9000111.5D972 S977 K978 Y979 C1055D972-L975 HydrophobicContact CB-CB 4.21Å; D972-L975 HydrophobicContact CB-CD1 4.16Å; D972-L975 PolarHBondContact O-N 3.19Å; L975-S977 VanDerWaalsContact C-N 3.3Å; L975-S977 PolarHBondContact O-N 2.86Å; L975-K978 PolarHBondContact O-N 3.38Å; L975-Y979 PolarHBondContact O-N 3.44Å; L975-C1055 HydrophobicContact CB-CB 4.31Å; L975-C1055 HydrophobicContact CD2-CB 4.25Å
976S63.1Low55.4Low41 Ų4186.4 Ų86.429%0.28749%0.491SS..Hα-helixtrans-63.3-37.5178.272.20000112.3D972 S973 M980D972-S976 PolarHBondContact O-N 3.48Å; S973-S976 PolarHBondContact O-OG 3.45Å; S976-M980 WeakPolarHBondContact O-CB 3.35Å; S976-M980 VanDerWaalsContact O-CG 3.24Å; S976-M980 WeakPolarHBondContact O-CG 3.36Å; S976-M980 PolarHBondContact O-N 3.04Å
977S65.8Low57.6Low71 Ų7180.6 Ų80.650%0.49746%0.455SS..Hα-helixtrans-67.2-43.8176.2-173.60000112.2S973 L975 M980 T981S973-S977 WeakPolarHBondContact O-CB 3.34Å; S973-S977 PolarHBondContact O-N 3.44Å; L975-S977 VanDerWaalsContact C-N 3.3Å; L975-S977 PolarHBondContact O-N 2.86Å; S977-M980 PolarHBondContact O-N 3.09Å; S977-T981 PolarHBondContact O-N 2.94Å; S977-T981 VanDerWaalsContact O-N 3.07Å; S977-T981 PolarHBondContact O-OG1 2.87Å
978K66.9Low59.6Low151 Ų15181.7 Ų81.766%0.65745%0.447SS*.Hα-helixtrans-62-46175.5-75.3176.1179177.70112.2S974 L975 T981 L982S974-K978 WeakPolarHBondContact O-CG 3.38Å; S974-K978 PolarHBondContact O-N 2.94Å; L975-K978 PolarHBondContact O-N 3.38Å; K978-T981 WeakPolarHBondContact O-CB 3.34Å; K978-T981 PolarHBondContact O-N 3.21Å; K978-L982 PolarHBondContact O-N 2.89Å; K978-L982 VanDerWaalsContact O-N 3.08Å
979Y78.3Confident61.1Low10 Ų1080.4 Ų80.44%0.03945%0.449CS..Hα-helixtrans-60.2-47.3175.5177.7-81.9000111.9L975 T981 L982 L983 F1004 F1041 L1049 D1052 A1053 F1056L975-Y979 PolarHBondContact O-N 3.44Å; Y979-T981 PolarHBondContact O-N 3.04Å; Y979-L982 PolarHBondContact O-N 3.07Å; Y979-L982 VanDerWaalsContact O-N 3.15Å; Y979-L983 HydrophobicContact CD1-CB 4.42Å; Y979-L983 HydrophobicContact CE1-CB 4.17Å; Y979-L983 HydrophobicContact CE1-CD2 4.1Å; Y979-L983 WeakPolarHBondContact O-CB 3.35Å; Y979-L983 PolarHBondContact O-N 3.5Å; Y979-F1004 HydrophobicContact CD1-CZ 4.45Å; Y979-F1004 HydrophobicContact CE1-CE1 4.21Å; Y979-F1004 AromaticContact CE1-CE2 3.91Å; Y979-F1004 HydrophobicContact CE1-CE2 3.91Å; Y979-F1004 AromaticContact CE1-CZ 3.5Å; Y979-F1004 HydrophobicContact CE1-CZ 3.5Å; Y979-F1004 VanDerWaalsContact CE1-CZ 3.5Å; Y979-F1004 WeakPolarHBondContact OH-CE2 3.38Å; Y979-F1041 WeakPolarHBondContact OH-CZ 3.29Å; Y979-L1049 HydrophobicContact CE2-CD2 3.96Å; Y979-D1052 HydrophobicContact CD2-CB 3.81Å; Y979-D1052 HydrophobicContact CE2-CB 3.93Å; Y979-A1053 HydrophobicContact CE2-CB 4Å; Y979-F1056 HydrophobicContact CD1-CD2 4.41Å; Y979-F1056 AromaticContact CD1-CE2 3.2Å; Y979-F1056 HydrophobicContact CD1-CE2 3.2Å; Y979-F1056 AromaticContact CD1-CZ 3.57Å; Y979-F1056 HydrophobicContact CD1-CZ 3.57Å; Y979-F1056 HydrophobicContact CD2-CE2 4.18Å; Y979-F1056 HydrophobicContact CE1-CD2 4.41Å; Y979-F1056 AromaticContact CE1-CE2 3.49Å; Y979-F1056 HydrophobicContact CE1-CE2 3.49Å; Y979-F1056 VanDerWaalsContact CE1-CE2 3.49Å; Y979-F1056 HydrophobicContact CE1-CZ 4.14Å; Y979-F1056 HydrophobicContact CE2-CE2 4.42Å; Y979-F1056 AromaticContact CG-CE2 3.55Å; Y979-F1056 HydrophobicContact CG-CE2 3.55Å; Y979-F1056 HydrophobicContact CG-CZ 4.07Å
980M77.6Confident62.2Low46 Ų4680.3 Ų80.323%0.22745%0.446CS..Hα-helixtrans-63.5-27.9-179.2-74.9-58.9-60.700112.6S976 S977 L983 K984 L1001 F1004 F1056S976-M980 WeakPolarHBondContact O-CB 3.35Å; S976-M980 VanDerWaalsContact O-CG 3.24Å; S976-M980 WeakPolarHBondContact O-CG 3.36Å; S976-M980 PolarHBondContact O-N 3.04Å; S977-M980 PolarHBondContact O-N 3.09Å; M980-L983 HydrophobicContact CE-CD2 4.4Å; M980-L983 HydrophobicContact SD-CD2 4.19Å; M980-K984 WeakPolarHBondContact O-CB 3.42Å; M980-K984 VanDerWaalsContact O-CG 3.23Å; M980-K984 WeakPolarHBondContact O-CG 3.45Å; M980-K984 PolarHBondContact O-N 3.35Å; M980-L1001 HydrophobicContact CE-CD1 4.35Å; M980-F1004 HydrophobicContact SD-CD1 4.5Å; M980-F1004 HydrophobicContact SD-CE1 3.77Å; M980-F1056 HydrophobicContact CG-CZ 4.3Å; M980-F1056 HydrophobicContact SD-CZ 4.36Å
981T75.9Confident63.2Low90 Ų9083.9 Ų83.955%0.55245%0.446SS*.Hα-helixtrans-71.9-45.6174.9-55.90000110.8S977 K978 Y979 K984 S985S977-T981 PolarHBondContact O-N 2.94Å; S977-T981 VanDerWaalsContact O-N 3.07Å; S977-T981 PolarHBondContact O-OG1 2.87Å; K978-T981 WeakPolarHBondContact O-CB 3.34Å; K978-T981 PolarHBondContact O-N 3.21Å; Y979-T981 PolarHBondContact O-N 3.04Å; T981-K984 PolarHBondContact O-N 2.85Å; T981-S985 PolarHBondContact O-N 3.29Å
982L72.7Confident64.1Low76 Ų7681 Ų8140%0.39843%0.433SS..Hα-helixtrans-64.4-40.4175.7-166.773.8000112.5K978 Y979 K984 S985 V986 L1049K978-L982 PolarHBondContact O-N 2.89Å; K978-L982 VanDerWaalsContact O-N 3.08Å; Y979-L982 PolarHBondContact O-N 3.07Å; Y979-L982 VanDerWaalsContact O-N 3.15Å; L982-K984 PolarHBondContact O-N 2.89Å; L982-S985 PolarHBondContact O-N 3.05Å; L982-S985 PolarHBondContact O-OG 3.19Å; L982-V986 WeakPolarHBondContact O-CG2 3.38Å; L982-V986 PolarHBondContact O-N 3.36Å; L982-L1049 HydrophobicContact CD2-CD2 4.3Å; L982-L1049 HydrophobicContact CD2-CG 4.27Å
983L78.4Confident64.8Low1 Ų181.7 Ų81.71%0.00544%0.436CS..Hα-helixtrans-61-45.1175.6-179.468.3000111.3Y979 M980 V986 L987 L1001 F1004 F1041 L1049Y979-L983 HydrophobicContact CD1-CB 4.42Å; Y979-L983 HydrophobicContact CE1-CB 4.17Å; Y979-L983 HydrophobicContact CE1-CD2 4.1Å; Y979-L983 WeakPolarHBondContact O-CB 3.35Å; Y979-L983 PolarHBondContact O-N 3.5Å; M980-L983 HydrophobicContact CE-CD2 4.4Å; M980-L983 HydrophobicContact SD-CD2 4.19Å; L983-V986 PolarHBondContact O-N 2.87Å; L983-L987 HydrophobicContact CD1-CD1 4Å; L983-L987 HydrophobicContact CD1-CG 4.27Å; L983-L987 HydrophobicContact CG-CD1 3.88Å; L983-L987 HydrophobicContact CG-CG 4.48Å; L983-L987 WeakPolarHBondContact O-CB 3.46Å; L983-L987 VanDerWaalsContact O-CG 3.25Å; L983-L987 WeakPolarHBondContact O-CG 3.25Å; L983-L987 PolarHBondContact O-N 3.27Å; L983-L1001 HydrophobicContact CD2-CD1 4.11Å; L983-F1004 HydrophobicContact CD2-CB 4.4Å; L983-F1004 HydrophobicContact CD2-CD1 3.51Å; L983-F1004 HydrophobicContact CD2-CD2 4.23Å; L983-F1004 HydrophobicContact CD2-CE1 3.76Å; L983-F1004 HydrophobicContact CD2-CE2 4.44Å; L983-F1004 HydrophobicContact CD2-CG 3.77Å; L983-F1004 HydrophobicContact CD2-CZ 4.24Å; L983-F1041 HydrophobicContact CD1-CE1 3.53Å; L983-F1041 HydrophobicContact CD1-CZ 3.77Å; L983-L1049 HydrophobicContact CB-CD2 4.28Å; L983-L1049 HydrophobicContact CD1-CD2 4.18Å
984K79.5Confident65.6Low102 Ų10284.7 Ų84.744%0.44344%0.439SS..Hα-helixtrans-65.2-38.2178.3-76173.2-177.51800112.3M980 T981 L982 K988M980-K984 WeakPolarHBondContact O-CB 3.42Å; M980-K984 VanDerWaalsContact O-CG 3.23Å; M980-K984 WeakPolarHBondContact O-CG 3.45Å; M980-K984 PolarHBondContact O-N 3.35Å; T981-K984 PolarHBondContact O-N 2.85Å; L982-K984 PolarHBondContact O-N 2.89Å; K984-K988 VanDerWaalsContact O-CB 3.28Å; K984-K988 WeakPolarHBondContact O-CB 3.43Å; K984-K988 PolarHBondContact O-N 3.01Å
985S72.5Confident66.5Low64 Ų6484.9 Ų84.945%0.44844%0.44SS..Hα-helixtrans-68.5-42.3178.866.90000111.6T981 L982 K988 S989T981-S985 PolarHBondContact O-N 3.29Å; L982-S985 PolarHBondContact O-N 3.05Å; L982-S985 PolarHBondContact O-OG 3.19Å; S985-K988 PolarHBondContact O-N 2.77Å; S985-S989 PolarHBondContact O-N 3.32Å
986V70.5Confident67.3Low26 Ų2683 Ų8316%0.15843%0.432CS..Hα-helixtrans-68.6-42.2178.8172.60000111.9L982 L983 K988 S989 V1046 L1049L982-V986 WeakPolarHBondContact O-CG2 3.38Å; L982-V986 PolarHBondContact O-N 3.36Å; L983-V986 PolarHBondContact O-N 2.87Å; V986-K988 PolarHBondContact O-N 2.98Å; V986-S989 PolarHBondContact O-N 2.97Å; V986-S989 PolarHBondContact O-OG 3.35Å; V986-V1046 HydrophobicContact CG1-CG1 4.03Å; V986-V1046 HydrophobicContact CG1-CG2 3.92Å; V986-L1049 HydrophobicContact CB-CD1 3.79Å; V986-L1049 HydrophobicContact CG1-CD1 3.82Å; V986-L1049 HydrophobicContact CG2-CD1 3.59Å
987L71.1Confident67.7Low7 Ų784.6 Ų84.64%0.03743%0.432CS..Hα-helixtrans-66.3-17.2175.7-70174.5000113.9L983 Y997 R1000 L1001 L1044L983-L987 HydrophobicContact CD1-CD1 4Å; L983-L987 HydrophobicContact CD1-CG 4.27Å; L983-L987 HydrophobicContact CG-CD1 3.88Å; L983-L987 HydrophobicContact CG-CG 4.48Å; L983-L987 WeakPolarHBondContact O-CB 3.46Å; L983-L987 VanDerWaalsContact O-CG 3.25Å; L983-L987 WeakPolarHBondContact O-CG 3.25Å; L983-L987 PolarHBondContact O-N 3.27Å; L987-Y997 HydrophobicContact CB-CD2 3.86Å; L987-Y997 HydrophobicContact CB-CE2 4.11Å; L987-R1000 HydrophobicContact CD2-CB 3.87Å; L987-L1001 HydrophobicContact CD1-CB 4.21Å; L987-L1001 HydrophobicContact CD1-CD1 4.19Å; L987-L1044 HydrophobicContact CD2-CD1 3.89Å
988K70.2Confident68.1Low170 Ų17083.2 Ų83.274%0.73943%0.425SS*.Hα-helixtrans-95.5-10.5177.9-162.3176.5-177.8-175.70112.9K984 S985 V986K984-K988 VanDerWaalsContact O-CB 3.28Å; K984-K988 WeakPolarHBondContact O-CB 3.43Å; K984-K988 PolarHBondContact O-N 3.01Å; S985-K988 PolarHBondContact O-N 2.77Å; V986-K988 PolarHBondContact O-N 2.98Å
989S58Low68.6Low96 Ų9678.9 Ų78.967%0.67141%0.414SS*.SBendtrans-83.4-7.1-171.3680000115.1S985 V986S985-S989 PolarHBondContact O-N 3.32Å; V986-S989 PolarHBondContact O-N 2.97Å; V986-S989 PolarHBondContact O-OG 3.35Å
990D50.5Low68.5Low96 Ų9682 Ų8251%0.51343%0.426SS..SBendtrans-101.5147.4176-146.8-6.3000109.4T992D990-T992 HydrophobicContact CB-CG2 3.96Å; D990-T992 PolarHBondContact O-N 3.22Å; D990-T992 PolarHBondContact O-OG1 3.41Å
991R49.5Very low68.6Low246 Ų24680.5 Ų80.593%0.92842%0.419SS*.  trans-69.241.5-178.4-71.9-177.5173-176.1-1.7112.9
992T51.7Low68.9Low50 Ų5080.6 Ų80.631%0.30742%0.416SS..  trans-95.8131.2-171.451.60000111.1D990 V996D990-T992 HydrophobicContact CB-CG2 3.96Å; D990-T992 PolarHBondContact O-N 3.22Å; D990-T992 PolarHBondContact O-OG1 3.41Å; T992-V996 HydrophobicContact CG2-CG1 4.28Å
993D58.9Low69.5Low115 Ų11580.2 Ų80.262%0.61541%0.414SS*.  trans-35.4136.6168.7-151.613.4000112.5S995 V996 Y997D993-S995 PolarHBondContact O-N 2.85Å; D993-S995 PolarHBondContact OD2-OG 3.26Å; D993-V996 HydrophobicContact CB-CG2 4.18Å; D993-V996 WeakPolarHBondContact O-CB 3.18Å; D993-V996 PolarHBondContact O-N 3.41Å; D993-Y997 PolarHBondContact O-N 3.36Å
994E66.4Low69.9Low169 Ų16980.4 Ų80.479%0.7942%0.415SS*.Hα-helixtrans-52.9-28.2-179.5-83.7-166.6150.700112.3A998E994-A998 WeakPolarHBondContact O-CB 3.34Å; E994-A998 PolarHBondContact O-N 3.44Å
995S68.5Low70.2Confident68 Ų6880.1 Ų80.148%0.47641%0.414SS..Hα-helixtrans-60.3-40.617468.50000113.2D993 S999D993-S995 PolarHBondContact O-N 2.85Å; D993-S995 PolarHBondContact OD2-OG 3.26Å; S995-S999 WeakPolarHBondContact O-CB 3.32Å; S995-S999 PolarHBondContact O-N 3.22Å
996V67.2Low70.9Confident49 Ų4982.2 Ų82.230%0.29742%0.416SS..Hα-helixtrans-75.6-39.8-178.6177.20000111T992 D993 S999 R1000T992-V996 HydrophobicContact CG2-CG1 4.28Å; D993-V996 HydrophobicContact CB-CG2 4.18Å; D993-V996 WeakPolarHBondContact O-CB 3.18Å; D993-V996 PolarHBondContact O-N 3.41Å; V996-S999 PolarHBondContact O-N 2.96Å; V996-R1000 WeakPolarHBondContact O-CG 3.36Å; V996-R1000 PolarHBondContact O-N 3.26Å
997Y71.4Confident71.8Confident73 Ų7381.6 Ų81.629%0.28641%0.412SS..Hα-helixtrans-58.2-50.4171.6162.4-98.6000111.2L987 D993 S999 R1000 L1001L987-Y997 HydrophobicContact CB-CD2 3.86Å; L987-Y997 HydrophobicContact CB-CE2 4.11Å; D993-Y997 PolarHBondContact O-N 3.36Å; Y997-S999 VanDerWaalsContact C-N 3.32Å; Y997-S999 PolarHBondContact O-N 3.11Å; Y997-R1000 PolarHBondContact O-N 2.95Å; Y997-L1001 HydrophobicContact CE1-CD2 4.49Å; Y997-L1001 WeakPolarHBondContact O-CB 3.29Å; Y997-L1001 PolarHBondContact O-N 3.25Å
998A73.5Confident72.5Confident42 Ų4281.7 Ų81.735%0.34741%0.413SS..Hα-helixtrans-62.5-39.2179.700000111.9E994 N1002E994-A998 WeakPolarHBondContact O-CB 3.34Å; E994-A998 PolarHBondContact O-N 3.44Å; A998-N1002 WeakPolarHBondContact O-CB 3.44Å; A998-N1002 VanDerWaalsContact O-CG 3.3Å; A998-N1002 PolarHBondContact O-N 2.91Å; A998-N1002 VanDerWaalsContact O-N 3.08Å; A998-N1002 PolarHBondContact O-ND2 3.38Å
999S78.1Confident73.2Confident60 Ų6078.7 Ų78.742%0.4240%0.402SS..Hα-helixtrans-61.1-54175.1-168.90000111.9S995 V996 Y997 L1001 N1002 D1003S995-S999 WeakPolarHBondContact O-CB 3.32Å; S995-S999 PolarHBondContact O-N 3.22Å; V996-S999 PolarHBondContact O-N 2.96Å; Y997-S999 VanDerWaalsContact C-N 3.32Å; Y997-S999 PolarHBondContact O-N 3.11Å; S999-L1001 PolarHBondContact O-N 3.09Å; S999-N1002 WeakPolarHBondContact O-CB 3.49Å; S999-N1002 PolarHBondContact O-N 3.17Å; S999-N1002 VanDerWaalsContact O-N 3.11Å; S999-D1003 VanDerWaalsContact O-CG 3.25Å; S999-D1003 PolarHBondContact O-N 3.45Å
1000R75.8Confident74.4Confident77 Ų7777.9 Ų77.929%0.29139%0.387SS..Hα-helixtrans-66.2-35.4-176.1-70-174.8-179.5-168.43.4113.2L987 V996 Y997 N1002 D1003 F1004L987-R1000 HydrophobicContact CD2-CB 3.87Å; V996-R1000 WeakPolarHBondContact O-CG 3.36Å; V996-R1000 PolarHBondContact O-N 3.26Å; Y997-R1000 PolarHBondContact O-N 2.95Å; R1000-N1002 VanDerWaalsContact C-N 3.35Å; R1000-D1003 PolarHBondContact O-N 3.36Å; R1000-F1004 PolarHBondContact O-N 3.06Å; R1000-F1004 VanDerWaalsContact O-N 3.11Å
1001L80.4Confident76.2Confident14 Ų1473.8 Ų73.87%0.07337%0.365CS..Hα-helixtrans-68.3-36174.1-175.164.7000111.7M980 L983 L987 Y997 S999 K1005M980-L1001 HydrophobicContact CE-CD1 4.35Å; L983-L1001 HydrophobicContact CD2-CD1 4.11Å; L987-L1001 HydrophobicContact CD1-CB 4.21Å; L987-L1001 HydrophobicContact CD1-CD1 4.19Å; Y997-L1001 HydrophobicContact CE1-CD2 4.49Å; Y997-L1001 WeakPolarHBondContact O-CB 3.29Å; Y997-L1001 PolarHBondContact O-N 3.25Å; S999-L1001 PolarHBondContact O-N 3.09Å; L1001-K1005 WeakPolarHBondContact O-CG 3.29Å; L1001-K1005 PolarHBondContact O-N 3.08Å; L1001-K1005 VanDerWaalsContact O-N 3.14Å
1002N83Confident77.7Confident92 Ų9269.5 Ų69.549%0.49235%0.348SS..Hα-helixtrans-68.3-39.7173.1-80.7-20.1000111.8A998 S999 R1000 F1004 K1005 Q1006A998-N1002 WeakPolarHBondContact O-CB 3.44Å; A998-N1002 VanDerWaalsContact O-CG 3.3Å; A998-N1002 PolarHBondContact O-N 2.91Å; A998-N1002 VanDerWaalsContact O-N 3.08Å; A998-N1002 PolarHBondContact O-ND2 3.38Å; S999-N1002 WeakPolarHBondContact O-CB 3.49Å; S999-N1002 PolarHBondContact O-N 3.17Å; S999-N1002 VanDerWaalsContact O-N 3.11Å; R1000-N1002 VanDerWaalsContact C-N 3.35Å; N1002-F1004 PolarHBondContact O-N 3.04Å; N1002-K1005 PolarHBondContact O-N 3.33Å; N1002-Q1006 WeakPolarHBondContact O-CB 3.34Å; N1002-Q1006 PolarHBondContact O-N 3.4Å
1003D84.6Confident79.1Confident67 Ų6773.2 Ų73.236%0.35836%0.36SS..Hα-helixtrans-57.9-49175-64.9-26.4000110.9S999 R1000 K1005 Q1006 V1007 I1040S999-D1003 VanDerWaalsContact O-CG 3.25Å; S999-D1003 PolarHBondContact O-N 3.45Å; R1000-D1003 PolarHBondContact O-N 3.36Å; D1003-K1005 PolarHBondContact O-N 3.4Å; D1003-Q1006 PolarHBondContact O-N 2.89Å; D1003-V1007 VanDerWaalsContact O-CG2 3.27Å; D1003-V1007 WeakPolarHBondContact O-CG2 3.31Å; D1003-V1007 PolarHBondContact O-N 2.82Å; D1003-I1040 HydrophobicContact CB-CD1 4.29Å
1004F86.8Confident80.1Confident5 Ų570.1 Ų70.12%0.02235%0.347CS..Hα-helixtrans-58.4-47175.5174.6-96.6000112.2Y979 M980 L983 R1000 N1002 Q1006 V1007 M1008 L1037 I1040 F1041 F1056Y979-F1004 HydrophobicContact CD1-CZ 4.45Å; Y979-F1004 HydrophobicContact CE1-CE1 4.21Å; Y979-F1004 AromaticContact CE1-CE2 3.91Å; Y979-F1004 HydrophobicContact CE1-CE2 3.91Å; Y979-F1004 AromaticContact CE1-CZ 3.5Å; Y979-F1004 HydrophobicContact CE1-CZ 3.5Å; Y979-F1004 VanDerWaalsContact CE1-CZ 3.5Å; Y979-F1004 WeakPolarHBondContact OH-CE2 3.38Å; M980-F1004 HydrophobicContact SD-CD1 4.5Å; M980-F1004 HydrophobicContact SD-CE1 3.77Å; L983-F1004 HydrophobicContact CD2-CB 4.4Å; L983-F1004 HydrophobicContact CD2-CD1 3.51Å; L983-F1004 HydrophobicContact CD2-CD2 4.23Å; L983-F1004 HydrophobicContact CD2-CE1 3.76Å; L983-F1004 HydrophobicContact CD2-CE2 4.44Å; L983-F1004 HydrophobicContact CD2-CG 3.77Å; L983-F1004 HydrophobicContact CD2-CZ 4.24Å; R1000-F1004 PolarHBondContact O-N 3.06Å; R1000-F1004 VanDerWaalsContact O-N 3.11Å; N1002-F1004 PolarHBondContact O-N 3.04Å; F1004-Q1006 VanDerWaalsContact C-N 3.3Å; F1004-Q1006 PolarHBondContact O-N 3.08Å; F1004-V1007 PolarHBondContact O-N 2.89Å; F1004-M1008 HydrophobicContact CD1-CG 4.42Å; F1004-M1008 HydrophobicContact CD2-CG 4.42Å; F1004-M1008 HydrophobicContact CE1-CG 3.94Å; F1004-M1008 HydrophobicContact CE2-CG 3.95Å; F1004-M1008 HydrophobicContact CE2-SD 4.31Å; F1004-M1008 HydrophobicContact CZ-CG 3.68Å; F1004-M1008 HydrophobicContact CZ-SD 4.31Å; F1004-M1008 WeakPolarHBondContact O-CG 3.48Å; F1004-M1008 PolarHBondContact O-N 3.23Å; F1004-L1037 HydrophobicContact CD2-CD2 3.96Å; F1004-L1037 HydrophobicContact CE2-CD2 4.02Å; F1004-I1040 HydrophobicContact CB-CD1 4.24Å; F1004-F1041 HydrophobicContact CD2-CE2 4.43Å; F1004-F1041 HydrophobicContact CD2-CZ 4.15Å; F1004-F1041 HydrophobicContact CE2-CZ 4.35Å; F1004-F1056 HydrophobicContact CZ-CD2 4.43Å; F1004-F1056 HydrophobicContact CZ-CE2 4.18Å
1005K86Confident80.7Confident97 Ų9763.9 Ų63.942%0.42232%0.319SS..Hα-helixtrans-61.1-39.6178.1-75.5174.9-179.2175.20111.8L1001 N1002 D1003 Q1009L1001-K1005 WeakPolarHBondContact O-CG 3.29Å; L1001-K1005 PolarHBondContact O-N 3.08Å; L1001-K1005 VanDerWaalsContact O-N 3.14Å; N1002-K1005 PolarHBondContact O-N 3.33Å; D1003-K1005 PolarHBondContact O-N 3.4Å; K1005-Q1009 WeakPolarHBondContact O-CB 3.27Å; K1005-Q1009 VanDerWaalsContact O-CG 3.31Å; K1005-Q1009 WeakPolarHBondContact O-CG 3.48Å; K1005-Q1009 PolarHBondContact O-N 3.17Å
1006Q87.6Confident80.8Confident107 Ų10764.4 Ų64.450%0.532%0.323SS..Hα-helixtrans-66.2-47.2179.3-175.9172-8.500111.3N1002 D1003 F1004 M1008 Q1009 E1010N1002-Q1006 WeakPolarHBondContact O-CB 3.34Å; N1002-Q1006 PolarHBondContact O-N 3.4Å; D1003-Q1006 PolarHBondContact O-N 2.89Å; F1004-Q1006 VanDerWaalsContact C-N 3.3Å; F1004-Q1006 PolarHBondContact O-N 3.08Å; Q1006-M1008 VanDerWaalsContact C-N 3.32Å; Q1006-M1008 PolarHBondContact O-N 3.28Å; Q1006-Q1009 WeakPolarHBondContact O-CB 3.44Å; Q1006-Q1009 PolarHBondContact O-N 2.91Å; Q1006-Q1009 VanDerWaalsContact O-N 3.13Å; Q1006-E1010 WeakPolarHBondContact O-CG 3.25Å; Q1006-E1010 PolarHBondContact O-N 2.63Å
1007V88.4Confident80.9Confident13 Ų1370.6 Ų70.68%0.07935%0.346CS..Hα-helixtrans-55.9-46.3175.4169.10000111.2D1003 F1004 Q1009 E1010 Y1011 L1033 Q1036 L1037 I1040D1003-V1007 VanDerWaalsContact O-CG2 3.27Å; D1003-V1007 WeakPolarHBondContact O-CG2 3.31Å; D1003-V1007 PolarHBondContact O-N 2.82Å; F1004-V1007 PolarHBondContact O-N 2.89Å; V1007-Q1009 PolarHBondContact O-N 3.44Å; V1007-E1010 PolarHBondContact O-N 2.87Å; V1007-Y1011 PolarHBondContact O-N 3.39Å; V1007-L1033 HydrophobicContact CG1-CD1 3.6Å; V1007-Q1036 HydrophobicContact CB-CB 4.45Å; V1007-Q1036 HydrophobicContact CG1-CB 3.8Å; V1007-Q1036 HydrophobicContact CG2-CB 3.76Å; V1007-Q1036 HydrophobicContact CG2-CG 4.35Å; V1007-L1037 HydrophobicContact CG1-CD2 3.79Å; V1007-L1037 HydrophobicContact CG1-CG 4.07Å; V1007-I1040 HydrophobicContact CG2-CD1 4.17Å
1008M86.4Confident80.4Confident9 Ų970.3 Ų70.34%0.04435%0.349CS..Hα-helixtrans-67.9-33.5178.4-67.4-52.3-53.600113.2F1004 Q1006 Y1011 R1012 L1033 F1056F1004-M1008 HydrophobicContact CD1-CG 4.42Å; F1004-M1008 HydrophobicContact CD2-CG 4.42Å; F1004-M1008 HydrophobicContact CE1-CG 3.94Å; F1004-M1008 HydrophobicContact CE2-CG 3.95Å; F1004-M1008 HydrophobicContact CE2-SD 4.31Å; F1004-M1008 HydrophobicContact CZ-CG 3.68Å; F1004-M1008 HydrophobicContact CZ-SD 4.31Å; F1004-M1008 WeakPolarHBondContact O-CG 3.48Å; F1004-M1008 PolarHBondContact O-N 3.23Å; Q1006-M1008 VanDerWaalsContact C-N 3.32Å; Q1006-M1008 PolarHBondContact O-N 3.28Å; M1008-Y1011 HydrophobicContact CE-CD1 4.17Å; M1008-R1012 WeakPolarHBondContact O-CG 3.3Å; M1008-R1012 PolarHBondContact O-N 3.46Å; M1008-R1012 VanDerWaalsContact O-N 3.13Å; M1008-L1033 HydrophobicContact SD-CD1 4.46Å; M1008-F1056 HydrophobicContact CE-CB 3.2Å; M1008-F1056 HydrophobicContact CE-CD1 4.38Å; M1008-F1056 HydrophobicContact CE-CG 3.84Å; M1008-F1056 HydrophobicContact SD-CB 4.38Å
1009Q83.4Confident79.6Confident108 Ų10875.7 Ų75.751%0.50536%0.361SS..Hα-helixtrans-69.1-39.3173.4-78.6-179.81.100112.3K1005 Q1006 V1007 R1012 K1013K1005-Q1009 WeakPolarHBondContact O-CB 3.27Å; K1005-Q1009 VanDerWaalsContact O-CG 3.31Å; K1005-Q1009 WeakPolarHBondContact O-CG 3.48Å; K1005-Q1009 PolarHBondContact O-N 3.17Å; Q1006-Q1009 WeakPolarHBondContact O-CB 3.44Å; Q1006-Q1009 PolarHBondContact O-N 2.91Å; Q1006-Q1009 VanDerWaalsContact O-N 3.13Å; V1007-Q1009 PolarHBondContact O-N 3.44Å; Q1009-R1012 PolarHBondContact O-N 3.15Å; Q1009-K1013 WeakPolarHBondContact O-CB 3.23Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.48Å; Q1009-K1013 PolarHBondContact O-N 3.47Å
1010E84.7Confident78.3Confident78 Ų7880.8 Ų80.836%0.36438%0.383SS..Hα-helixtrans-63.5-41.8175.5-74.4-172.5174.500111.9Q1006 V1007 K1013 S1014 Q1036Q1006-E1010 WeakPolarHBondContact O-CG 3.25Å; Q1006-E1010 PolarHBondContact O-N 2.63Å; V1007-E1010 PolarHBondContact O-N 2.87Å; E1010-K1013 PolarHBondContact O-N 2.96Å; E1010-S1014 WeakPolarHBondContact O-CB 3.12Å; E1010-S1014 PolarHBondContact O-N 3.07Å; E1010-S1014 PolarHBondContact O-OG 3.18Å; E1010-Q1036 PolarHBondContact OE2-NE2 2.89Å
1011Y87.6Confident77.1Confident11 Ų1180 Ų804%0.04339%0.389CS..Hα-helixtrans-59.3-49.7173.2174.6-114.2000112V1007 M1008 K1013 S1014 I1015 L1029 I1030 L1033 I1057 L1058 H1061V1007-Y1011 PolarHBondContact O-N 3.39Å; M1008-Y1011 HydrophobicContact CE-CD1 4.17Å; Y1011-K1013 PolarHBondContact O-N 3.45Å; Y1011-S1014 PolarHBondContact O-N 3.3Å; Y1011-I1015 HydrophobicContact CD1-CD1 3.78Å; Y1011-I1015 HydrophobicContact CD2-CD1 4.11Å; Y1011-I1015 HydrophobicContact CE1-CD1 3.38Å; Y1011-I1015 HydrophobicContact CE2-CD1 3.75Å; Y1011-I1015 HydrophobicContact CE2-CG1 4.24Å; Y1011-I1015 HydrophobicContact CG-CD1 4.13Å; Y1011-I1015 WeakPolarHBondContact O-CG1 3.33Å; Y1011-I1015 PolarHBondContact O-N 3.22Å; Y1011-L1029 HydrophobicContact CD2-CD2 3.5Å; Y1011-L1029 HydrophobicContact CE2-CD2 3.36Å; Y1011-I1030 HydrophobicContact CE2-CD1 3.73Å; Y1011-L1033 HydrophobicContact CD1-CD2 4.37Å; Y1011-L1033 HydrophobicContact CD2-CD2 3.63Å; Y1011-L1033 HydrophobicContact CD2-CG 4.48Å; Y1011-L1033 HydrophobicContact CE2-CD2 3.8Å; Y1011-L1033 HydrophobicContact CG-CD1 4.38Å; Y1011-L1033 HydrophobicContact CG-CD2 3.94Å; Y1011-I1057 HydrophobicContact CE1-CD1 4.39Å; Y1011-L1058 PolarHBondContact OH-N 3.41Å; Y1011-L1058 VanDerWaalsContact OH-N 3.15Å; Y1011-H1061 AromaticContact CE2-ND1 3.76Å; Y1011-H1061 AromaticContact CZ-ND1 3.78Å; Y1011-H1061 PolarHBondContact OH-ND1 3.09Å
1012R81.9Confident75.7Confident155 Ų15582.6 Ų82.659%0.58540%0.403SS*.Hα-helixtrans-61.4-41.7177.1-74.3177.8-179.6165.7-0.5112.7M1008 Q1009 S1014 I1015 S1016M1008-R1012 WeakPolarHBondContact O-CG 3.3Å; M1008-R1012 PolarHBondContact O-N 3.46Å; M1008-R1012 VanDerWaalsContact O-N 3.13Å; Q1009-R1012 PolarHBondContact O-N 3.15Å; R1012-S1014 VanDerWaalsContact C-N 3.34Å; R1012-I1015 PolarHBondContact O-N 3.45Å; R1012-S1016 PolarHBondContact O-N 3.19Å
1013K80.5Confident74.3Confident129 Ų12986 Ų8656%0.56142%0.421SS*.Hα-helixtrans-63-41.2175.4-76.5175-177.51740111.4Q1009 E1010 Y1011 S1016 K1017Q1009-K1013 WeakPolarHBondContact O-CB 3.23Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.48Å; Q1009-K1013 PolarHBondContact O-N 3.47Å; E1010-K1013 PolarHBondContact O-N 2.96Å; Y1011-K1013 PolarHBondContact O-N 3.45Å; K1013-S1016 WeakPolarHBondContact CA-OG 3.08Å; K1013-S1016 PolarHBondContact O-N 3.3Å; K1013-S1016 PolarHBondContact O-OG 3.01Å; K1013-K1017 PolarHBondContact O-N 3.46Å; K1013-K1017 VanDerWaalsContact O-N 3.12Å
1014S79.2Confident72.7Confident49 Ų4987.2 Ų87.234%0.34344%0.435SS..Hα-helixtrans-67.8-37.2179.8-58.50000112.4E1010 Y1011 R1012 N1018 L1029E1010-S1014 WeakPolarHBondContact O-CB 3.12Å; E1010-S1014 PolarHBondContact O-N 3.07Å; E1010-S1014 PolarHBondContact O-OG 3.18Å; Y1011-S1014 PolarHBondContact O-N 3.3Å; R1012-S1014 VanDerWaalsContact C-N 3.34Å; S1014-N1018 PolarHBondContact O-N 3.29Å; S1014-L1029 VanDerWaalsContact CB-CD1 3.5Å
1015I79.6Confident71.4Confident38 Ų3891.6 Ų91.620%0.19546%0.455CS..Hα-helixtrans-61.4-45.2169.9-68.2160000111Y1011 R1012 K1017 N1018 L1058Y1011-I1015 HydrophobicContact CD1-CD1 3.78Å; Y1011-I1015 HydrophobicContact CD2-CD1 4.11Å; Y1011-I1015 HydrophobicContact CE1-CD1 3.38Å; Y1011-I1015 HydrophobicContact CE2-CD1 3.75Å; Y1011-I1015 HydrophobicContact CE2-CG1 4.24Å; Y1011-I1015 HydrophobicContact CG-CD1 4.13Å; Y1011-I1015 WeakPolarHBondContact O-CG1 3.33Å; Y1011-I1015 PolarHBondContact O-N 3.22Å; R1012-I1015 PolarHBondContact O-N 3.45Å; I1015-K1017 VanDerWaalsContact C-N 3.31Å; I1015-K1017 PolarHBondContact O-N 2.73Å; I1015-N1018 PolarHBondContact O-N 3.08Å; I1015-L1058 HydrophobicContact CB-CD1 4.48Å; I1015-L1058 HydrophobicContact CD1-CD1 3.46Å; I1015-L1058 VanDerWaalsContact CD1-CD1 3.46Å; I1015-L1058 HydrophobicContact CD1-CG 4.06Å; I1015-L1058 HydrophobicContact CG1-CD1 3.85Å; I1015-L1058 HydrophobicContact CG2-CD1 3.78Å
1016S71Confident70.5Confident79 Ų7988.3 Ų88.355%0.55244%0.444SS*.Hα-helixtrans-66.5-29.4-176.6720000114R1012 K1013R1012-S1016 PolarHBondContact O-N 3.19Å; K1013-S1016 WeakPolarHBondContact CA-OG 3.08Å; K1013-S1016 PolarHBondContact O-N 3.3Å; K1013-S1016 PolarHBondContact O-OG 3.01Å
1017K68.4Low69.9Low179 Ų17987.4 Ų87.478%0.77844%0.443SS*.Hα-helixtrans-81.8-22.8178.8-76.2-176.8175.7-177.40113.9K1013 I1015K1013-K1017 PolarHBondContact O-N 3.46Å; K1013-K1017 VanDerWaalsContact O-N 3.12Å; I1015-K1017 VanDerWaalsContact C-N 3.31Å; I1015-K1017 PolarHBondContact O-N 2.73Å
1018N61.8Low69.5Low67 Ų6792.6 Ų92.636%0.35847%0.467SS..  trans-112.918.4-171.1-80-21000114.9S1014 I1015 N1020 S1021S1014-N1018 PolarHBondContact O-N 3.29Å; I1015-N1018 PolarHBondContact O-N 3.08Å; N1018-N1020 PolarHBondContact O-N 2.96Å; N1018-S1021 PolarHBondContact O-N 3.2Å
1019R55.6Low69.5Low156 Ų15693.6 Ų93.659%0.58947%0.472SS*.THydrogen-bonded Turntrans-54.8-14.9-178.6-104.3-177.3176.3171.61115.6
1020N50.9Low69.7Low166 Ų16688.5 Ų88.589%0.88845%0.448SS*.THydrogen-bonded Turntrans-110.25.8-176.2-64.7-13.2000115.1N1018N1018-N1020 PolarHBondContact O-N 2.96Å
1021S50.9Low69.7Low61 Ų6188.3 Ų88.343%0.42745%0.447SS..  trans-141.339-179.377.90000116.5N1018 N1023N1018-S1021 PolarHBondContact O-N 3.2Å; S1021-N1023 VanDerWaalsContact C-N 3.28Å; S1021-N1023 PolarHBondContact O-N 3.19Å
1022L51.2Low69.7Low69 Ų6991.8 Ų91.836%0.36147%0.47SS..THydrogen-bonded Turntrans-651.3-166.3-93.8138000119.2S1026L1022-S1026 PolarHBondContact O-OG 3.47Å
1023N53.3Low70.1Confident162 Ų16284.6 Ų84.687%0.86644%0.443SS*.THydrogen-bonded Turntrans-99-14.9-170.9-74.7-7.7000116.6S1021S1021-N1023 VanDerWaalsContact C-N 3.28Å; S1021-N1023 PolarHBondContact O-N 3.19Å
1024S51.6Low70.6Confident93 Ų9379.6 Ų79.665%0.6542%0.421SS*.THydrogen-bonded Turntrans-125.6-18.5-179.6710000115.6
1025H59.6Low71Confident97 Ų9780.3 Ų80.345%0.44942%0.423SS..SBendtrans-103.8-2.6-177.8-76.216.1000114.1L1029H1025-L1029 PolarHBondContact O-N 3.23Å
1026S67Low71.4Confident28 Ų2881 Ų8120%0.19643%0.426CS..Hα-helixtrans-68.5-37.5-177.251.80000113.3L1022 I1030L1022-S1026 PolarHBondContact O-OG 3.47Å; S1026-I1030 PolarHBondContact O-N 2.97Å
1027N74.6Confident72.3Confident88 Ų8877.2 Ų77.247%0.47140%0.399SS..Hα-helixtrans-70-43178.9-73.6-26.8000113L1029 I1030 E1031N1027-L1029 VanDerWaalsContact C-N 3.33Å; N1027-L1029 PolarHBondContact O-N 3.21Å; N1027-I1030 PolarHBondContact O-N 3.26Å; N1027-E1031 WeakPolarHBondContact O-CG 3.23Å; N1027-E1031 PolarHBondContact O-N 3.02Å
1028Q81Confident73Confident123 Ų12369.5 Ų69.558%0.57537%0.368SS*.Hα-helixtrans-62.3-41177.8-80.4-179.3-16.700111.8I1030 E1031 V1032Q1028-I1030 VanDerWaalsContact C-N 3.29Å; Q1028-I1030 PolarHBondContact O-N 3Å; Q1028-E1031 PolarHBondContact O-N 3.49Å; Q1028-V1032 WeakPolarHBondContact O-CG2 3.25Å; Q1028-V1032 PolarHBondContact O-N 3.36Å
1029L85Confident74.1Confident30 Ų3075.2 Ų75.216%0.15738%0.384CS..Hα-helixtrans-61.5-38.6178.6-177.9148.8000111.9Y1011 S1014 H1025 N1027 L1033Y1011-L1029 HydrophobicContact CD2-CD2 3.5Å; Y1011-L1029 HydrophobicContact CE2-CD2 3.36Å; S1014-L1029 VanDerWaalsContact CB-CD1 3.5Å; H1025-L1029 PolarHBondContact O-N 3.23Å; N1027-L1029 VanDerWaalsContact C-N 3.33Å; N1027-L1029 PolarHBondContact O-N 3.21Å; L1029-L1033 PolarHBondContact O-N 3.47Å; L1029-L1033 VanDerWaalsContact O-N 3.1Å
1030I87.8Confident75.4Confident0 Ų068.7 Ų68.70%036%0.361CS..Hα-helixtrans-75.8-33.9176.9-69.5-62.9000113Y1011 S1026 N1027 Q1028 L1033 F1034 I1057 H1061 R1064 Y1065 L1068Y1011-I1030 HydrophobicContact CE2-CD1 3.73Å; S1026-I1030 PolarHBondContact O-N 2.97Å; N1027-I1030 PolarHBondContact O-N 3.26Å; Q1028-I1030 VanDerWaalsContact C-N 3.29Å; Q1028-I1030 PolarHBondContact O-N 3Å; I1030-L1033 HydrophobicContact CD1-CD2 4.04Å; I1030-L1033 PolarHBondContact O-N 3.04Å; I1030-F1034 VanDerWaalsContact O-CB 3.28Å; I1030-F1034 WeakPolarHBondContact O-CB 3.34Å; I1030-F1034 PolarHBondContact O-N 2.86Å; I1030-I1057 HydrophobicContact CD1-CG2 4.21Å; I1030-H1061 HydrophobicContact CD1-CB 3.45Å; I1030-H1061 VanDerWaalsContact CD1-CB 3.45Å; I1030-H1061 HydrophobicContact CG1-CB 3.64Å; I1030-R1064 HydrophobicContact CB-CG 4.32Å; I1030-R1064 HydrophobicContact CG2-CB 4.07Å; I1030-R1064 HydrophobicContact CG2-CG 3.82Å; I1030-Y1065 HydrophobicContact CG2-CD2 4.41Å; I1030-L1068 HydrophobicContact CG2-CD1 4.07Å
1031E85.8Confident76.7Confident75 Ų7560.9 Ų60.935%0.3532%0.319SS..Hα-helixtrans-64.7-40.3172.3-74.2171.8-167.300112.1N1027 Q1028 F1034 T1035 R1064 L1068N1027-E1031 WeakPolarHBondContact O-CG 3.23Å; N1027-E1031 PolarHBondContact O-N 3.02Å; Q1028-E1031 PolarHBondContact O-N 3.49Å; E1031-F1034 PolarHBondContact O-N 3.28Å; E1031-T1035 WeakPolarHBondContact O-CB 3.21Å; E1031-T1035 PolarHBondContact O-N 2.95Å; E1031-T1035 PolarHBondContact O-OG1 3.05Å; E1031-R1064 IonicContact OE1-CZ 3.46Å; E1031-R1064 IonicContact OE1-NE 2.74Å; E1031-R1064 IonicContact OE1-NH2 3.8Å; E1031-R1064 PolarHBondContact OE1-NH2 3.09Å; E1031-L1068 HydrophobicContact CG-CD1 4.07Å
1032V87Confident77.8Confident84 Ų8462.5 Ų62.551%0.50932%0.322SS..Hα-helixtrans-63-46.9173.91720000110.8Q1028 T1035 Q1036Q1028-V1032 WeakPolarHBondContact O-CG2 3.25Å; Q1028-V1032 PolarHBondContact O-N 3.36Å; V1032-T1035 PolarHBondContact O-N 2.97Å; V1032-Q1036 PolarHBondContact O-N 3.06Å
1033L90.2Very high79Confident4 Ų463.3 Ų63.32%0.02133%0.332CS..Hα-helixtrans-59.5-48.6176.8176.963.4000112V1007 M1008 Y1011 L1029 I1030 T1035 Q1036 L1037 I1057V1007-L1033 HydrophobicContact CG1-CD1 3.6Å; M1008-L1033 HydrophobicContact SD-CD1 4.46Å; Y1011-L1033 HydrophobicContact CD1-CD2 4.37Å; Y1011-L1033 HydrophobicContact CD2-CD2 3.63Å; Y1011-L1033 HydrophobicContact CD2-CG 4.48Å; Y1011-L1033 HydrophobicContact CE2-CD2 3.8Å; Y1011-L1033 HydrophobicContact CG-CD1 4.38Å; Y1011-L1033 HydrophobicContact CG-CD2 3.94Å; L1029-L1033 PolarHBondContact O-N 3.47Å; L1029-L1033 VanDerWaalsContact O-N 3.1Å; I1030-L1033 HydrophobicContact CD1-CD2 4.04Å; I1030-L1033 PolarHBondContact O-N 3.04Å; L1033-T1035 VanDerWaalsContact C-N 3.3Å; L1033-T1035 PolarHBondContact O-N 3.28Å; L1033-Q1036 PolarHBondContact O-N 3.29Å; L1033-L1037 HydrophobicContact CD1-CD1 3.92Å; L1033-L1037 HydrophobicContact CD1-CG 4.06Å; L1033-L1037 HydrophobicContact CG-CD1 3.98Å; L1033-L1037 HydrophobicContact CG-CG 4.44Å; L1033-L1037 WeakPolarHBondContact O-CG 3.4Å; L1033-L1037 PolarHBondContact O-N 3.47Å; L1033-I1057 HydrophobicContact CD2-CD1 3.22Å; L1033-I1057 HydrophobicContact CG-CD1 4.47Å
1034F90.6Very high79.7Confident23 Ų2356.9 Ų56.910%0.10130%0.297CS..Hα-helixtrans-60.1-40.6177.7177.3-98.1000111.7I1030 E1031 Q1036 L1037 S1038 L1050 Y1065 L1068 L1072I1030-F1034 VanDerWaalsContact O-CB 3.28Å; I1030-F1034 WeakPolarHBondContact O-CB 3.34Å; I1030-F1034 PolarHBondContact O-N 2.86Å; E1031-F1034 PolarHBondContact O-N 3.28Å; F1034-Q1036 PolarHBondContact O-N 2.92Å; F1034-L1037 PolarHBondContact O-N 3Å; F1034-S1038 VanDerWaalsContact O-CB 3.23Å; F1034-S1038 WeakPolarHBondContact O-CB 3.39Å; F1034-S1038 PolarHBondContact O-N 3.07Å; F1034-S1038 PolarHBondContact O-OG 3.31Å; F1034-L1050 HydrophobicContact CE2-CD2 3.9Å; F1034-L1050 HydrophobicContact CE2-CG 4.45Å; F1034-L1050 HydrophobicContact CZ-CD2 4.4Å; F1034-Y1065 HydrophobicContact CD2-CE2 4.29Å; F1034-L1068 HydrophobicContact CB-CB 4.46Å; F1034-L1068 HydrophobicContact CB-CD1 3.66Å; F1034-L1068 HydrophobicContact CD1-CB 3.92Å; F1034-L1068 HydrophobicContact CD1-CD1 4.12Å; F1034-L1068 HydrophobicContact CD1-CD2 4.39Å; F1034-L1068 HydrophobicContact CD1-CG 4.37Å; F1034-L1068 HydrophobicContact CD2-CB 3.6Å; F1034-L1068 HydrophobicContact CD2-CD1 4.37Å; F1034-L1068 HydrophobicContact CE1-CB 3.99Å; F1034-L1068 HydrophobicContact CE2-CB 3.68Å; F1034-L1068 HydrophobicContact CG-CB 3.71Å; F1034-L1068 HydrophobicContact CG-CD1 3.8Å; F1034-L1068 HydrophobicContact CG-CG 4.29Å; F1034-L1068 HydrophobicContact CZ-CB 3.87Å; F1034-L1068 VanDerWaalsContact CZ-O 3.25Å; F1034-L1068 WeakPolarHBondContact CZ-O 3.39Å; F1034-L1072 HydrophobicContact CZ-CB 3.99Å; F1034-L1072 HydrophobicContact CZ-CD2 3.86Å; F1034-L1072 HydrophobicContact CZ-CG 4.47Å
1035T87.7Confident80.5Confident65 Ų6561.2 Ų61.240%0.39931%0.307SS..Hα-helixtrans-65-37.9176.3-55.90000112E1031 V1032 L1033 S1038 R1039E1031-T1035 WeakPolarHBondContact O-CB 3.21Å; E1031-T1035 PolarHBondContact O-N 2.95Å; E1031-T1035 PolarHBondContact O-OG1 3.05Å; V1032-T1035 PolarHBondContact O-N 2.97Å; L1033-T1035 VanDerWaalsContact C-N 3.3Å; L1033-T1035 PolarHBondContact O-N 3.28Å; T1035-S1038 VanDerWaalsContact CA-OG 3.31Å; T1035-S1038 WeakPolarHBondContact CA-OG 3.43Å; T1035-S1038 PolarHBondContact O-OG 3.1Å; T1035-R1039 WeakPolarHBondContact O-CG 3.29Å; T1035-R1039 PolarHBondContact O-N 3.15Å
1036Q89.4Confident80.9Confident52 Ų5258.5 Ų58.524%0.24330%0.297CS..Hα-helixtrans-71.5-43.5176.1-75.3-173-22.400112.2V1007 E1010 V1032 L1033 F1034 R1039V1007-Q1036 HydrophobicContact CB-CB 4.45Å; V1007-Q1036 HydrophobicContact CG1-CB 3.8Å; V1007-Q1036 HydrophobicContact CG2-CB 3.76Å; V1007-Q1036 HydrophobicContact CG2-CG 4.35Å; E1010-Q1036 PolarHBondContact OE2-NE2 2.89Å; V1032-Q1036 PolarHBondContact O-N 3.06Å; L1033-Q1036 PolarHBondContact O-N 3.29Å; F1034-Q1036 PolarHBondContact O-N 2.92Å; Q1036-R1039 PolarHBondContact O-N 3.34Å
1037L88.3Confident80.9Confident0 Ų060.4 Ų60.40%031%0.309CS..Hα-helixtrans-68.9-38.2178.5-67.6175.8000112.4F1004 V1007 L1033 F1034 R1039 I1040 F1041 L1050 A1053 Y1065F1004-L1037 HydrophobicContact CD2-CD2 3.96Å; F1004-L1037 HydrophobicContact CE2-CD2 4.02Å; V1007-L1037 HydrophobicContact CG1-CD2 3.79Å; V1007-L1037 HydrophobicContact CG1-CG 4.07Å; L1033-L1037 HydrophobicContact CD1-CD1 3.92Å; L1033-L1037 HydrophobicContact CD1-CG 4.06Å; L1033-L1037 HydrophobicContact CG-CD1 3.98Å; L1033-L1037 HydrophobicContact CG-CG 4.44Å; L1033-L1037 WeakPolarHBondContact O-CG 3.4Å; L1033-L1037 PolarHBondContact O-N 3.47Å; F1034-L1037 PolarHBondContact O-N 3Å; L1037-R1039 VanDerWaalsContact C-N 3.3Å; L1037-R1039 PolarHBondContact O-N 3.4Å; L1037-I1040 WeakPolarHBondContact O-CB 3.36Å; L1037-I1040 PolarHBondContact O-N 2.86Å; L1037-F1041 HydrophobicContact CB-CD2 4.26Å; L1037-F1041 HydrophobicContact CB-CE2 4.35Å; L1037-F1041 HydrophobicContact CD2-CE2 4.09Å; L1037-F1041 WeakPolarHBondContact O-CD2 3.35Å; L1037-F1041 PolarHBondContact O-N 2.97Å; L1037-L1050 HydrophobicContact CB-CD1 3.67Å; L1037-A1053 HydrophobicContact CD1-CB 4.2Å; L1037-Y1065 HydrophobicContact CD1-CE2 4.04Å; L1037-Y1065 WeakPolarHBondContact CD1-OH 3.4Å
1038S84.3Confident80.6Confident16 Ų1657.8 Ų57.811%0.11230%0.303CS..Hα-helixtrans-61.7-34.917651.30000112.8F1034 T1035 I1040 F1041 I1042F1034-S1038 VanDerWaalsContact O-CB 3.23Å; F1034-S1038 WeakPolarHBondContact O-CB 3.39Å; F1034-S1038 PolarHBondContact O-N 3.07Å; F1034-S1038 PolarHBondContact O-OG 3.31Å; T1035-S1038 VanDerWaalsContact CA-OG 3.31Å; T1035-S1038 WeakPolarHBondContact CA-OG 3.43Å; T1035-S1038 PolarHBondContact O-OG 3.1Å; S1038-I1040 PolarHBondContact O-N 3.22Å; S1038-F1041 PolarHBondContact O-N 3.4Å; S1038-I1042 VanDerWaalsContact O-CB 3.24Å; S1038-I1042 WeakPolarHBondContact O-CB 3.23Å; S1038-I1042 WeakPolarHBondContact O-CG1 3.24Å; S1038-I1042 PolarHBondContact O-N 2.81Å
1039R84.2Confident80.4Confident188 Ų18852.3 Ų52.371%0.70928%0.277SS*.Hα-helixtrans-63-25.8171.9-72.9173.9-179.6179.11.1113.6T1035 Q1036 L1037 P1043T1035-R1039 WeakPolarHBondContact O-CG 3.29Å; T1035-R1039 PolarHBondContact O-N 3.15Å; Q1036-R1039 PolarHBondContact O-N 3.34Å; L1037-R1039 VanDerWaalsContact C-N 3.3Å; L1037-R1039 PolarHBondContact O-N 3.4Å; R1039-P1043 WeakPolarHBondContact O-CD 3.43Å; R1039-P1043 WeakPolarHBondContact O-CG 3.44Å
1040I82.5Confident80.3Confident18 Ų1850.9 Ų50.99%0.09227%0.27CS..Hα-helixtrans-84.5-46.1178.1-60.8171.4000110.4D1003 F1004 V1007 L1037 S1038 L1044D1003-I1040 HydrophobicContact CB-CD1 4.29Å; F1004-I1040 HydrophobicContact CB-CD1 4.24Å; V1007-I1040 HydrophobicContact CG2-CD1 4.17Å; L1037-I1040 WeakPolarHBondContact O-CB 3.36Å; L1037-I1040 PolarHBondContact O-N 2.86Å; S1038-I1040 PolarHBondContact O-N 3.22Å; I1040-L1044 WeakPolarHBondContact O-CD1 3.22Å
1041F79.6Confident79.9Confident2 Ų253.2 Ų53.21%0.00928%0.281CS..Hα-helixtrans-93.9-28.7-168.3-65.9-63.4000115.6Y979 L983 F1004 L1037 S1038 L1044 L1049 L1050Y979-F1041 WeakPolarHBondContact OH-CZ 3.29Å; L983-F1041 HydrophobicContact CD1-CE1 3.53Å; L983-F1041 HydrophobicContact CD1-CZ 3.77Å; F1004-F1041 HydrophobicContact CD2-CE2 4.43Å; F1004-F1041 HydrophobicContact CD2-CZ 4.15Å; F1004-F1041 HydrophobicContact CE2-CZ 4.35Å; L1037-F1041 HydrophobicContact CB-CD2 4.26Å; L1037-F1041 HydrophobicContact CB-CE2 4.35Å; L1037-F1041 HydrophobicContact CD2-CE2 4.09Å; L1037-F1041 WeakPolarHBondContact O-CD2 3.35Å; L1037-F1041 PolarHBondContact O-N 2.97Å; S1038-F1041 PolarHBondContact O-N 3.4Å; F1041-L1044 HydrophobicContact CD1-CD1 4.49Å; F1041-L1044 PolarHBondContact O-N 3.1Å; F1041-L1049 HydrophobicContact CD1-CB 3.77Å; F1041-L1049 HydrophobicContact CE1-CB 3.83Å; F1041-L1049 HydrophobicContact CE1-CD2 4.14Å; F1041-L1049 HydrophobicContact CE1-CG 4.44Å; F1041-L1049 HydrophobicContact CG-CB 4.46Å; F1041-L1050 HydrophobicContact CB-CB 4.18Å; F1041-L1050 HydrophobicContact CD2-CB 4.26Å; F1041-L1050 HydrophobicContact CD2-CD1 3.93Å; F1041-L1050 HydrophobicContact CG-CB 4.43Å
1042I73.4Confident79.6Confident95 Ų9553.4 Ų53.449%0.48728%0.284SS..G310 helixtrans-62.2-45.2178.6-66.8173.8000111.7S1038 L1044 E1045 L1072S1038-I1042 VanDerWaalsContact O-CB 3.24Å; S1038-I1042 WeakPolarHBondContact O-CB 3.23Å; S1038-I1042 WeakPolarHBondContact O-CG1 3.24Å; S1038-I1042 PolarHBondContact O-N 2.81Å; I1042-L1044 PolarHBondContact O-N 3.35Å; I1042-L1044 VanDerWaalsContact O-N 3.11Å; I1042-E1045 PolarHBondContact O-N 3.44Å; I1042-L1072 HydrophobicContact CD1-CD1 4.2Å; I1042-L1072 HydrophobicContact CD1-CD2 3.84Å; I1042-L1072 HydrophobicContact CG1-CD2 4.15Å
1043P75.2Confident79.4Confident87 Ų8749.4 Ų49.457%0.56526%0.26SS*.G310 helixtrans-67.3-9.3178.6-20.834.4000114.8R1039R1039-P1043 WeakPolarHBondContact O-CD 3.43Å; R1039-P1043 WeakPolarHBondContact O-CG 3.44Å
1044L68.8Low79.1Confident27 Ų2751.7 Ų51.714%0.14127%0.271CS..G310 helixtrans-98.32-179-73169.1000113L987 I1040 F1041 I1042 V1046L987-L1044 HydrophobicContact CD2-CD1 3.89Å; I1040-L1044 WeakPolarHBondContact O-CD1 3.22Å; F1041-L1044 HydrophobicContact CD1-CD1 4.49Å; F1041-L1044 PolarHBondContact O-N 3.1Å; I1042-L1044 PolarHBondContact O-N 3.35Å; I1042-L1044 VanDerWaalsContact O-N 3.11Å; L1044-V1046 HydrophobicContact CB-CG2 3.48Å; L1044-V1046 VanDerWaalsContact CB-CG2 3.48Å; L1044-V1046 HydrophobicContact CD1-CG2 4.49Å; L1044-V1046 PolarHBondContact O-N 3.46Å
1045E69.4Low78.5Confident184 Ų18452 Ų5286%0.8628%0.276SS*.THydrogen-bonded Turntrans5423.9-177.8-59.1-171.416500114.5I1042 P1047I1042-E1045 PolarHBondContact O-N 3.44Å; E1045-P1047 WeakPolarHBondContact O-CD 3.06Å
1046V66.8Low78.2Confident40 Ų4050.7 Ų50.724%0.24227%0.265CS..  trans-117.870.2179.8-78.20000112V986 L1044 G1048 L1049V986-V1046 HydrophobicContact CG1-CG1 4.03Å; V986-V1046 HydrophobicContact CG1-CG2 3.92Å; L1044-V1046 HydrophobicContact CB-CG2 3.48Å; L1044-V1046 VanDerWaalsContact CB-CG2 3.48Å; L1044-V1046 HydrophobicContact CD1-CG2 4.49Å; L1044-V1046 PolarHBondContact O-N 3.46Å; V1046-G1048 PolarHBondContact O-N 2.66Å; V1046-G1048 VanDerWaalsContact O-N 3.16Å; V1046-L1049 HydrophobicContact CB-CD1 4Å; V1046-L1049 HydrophobicContact CG1-CD1 4.44Å; V1046-L1049 HydrophobicContact CG2-CB 4.44Å; V1046-L1049 HydrophobicContact CG2-CD1 3.89Å; V1046-L1049 PolarHBondContact O-N 2.79Å
1047P67Low78Confident68 Ų6848.4 Ų48.444%0.44225%0.254SS..Hα-helixtrans-63-21.8179.925.5-33.6000113.5E1045 L1049 L1050 Q1051 T1073E1045-P1047 WeakPolarHBondContact O-CD 3.06Å; P1047-L1049 PolarHBondContact O-N 2.89Å; P1047-L1050 WeakPolarHBondContact O-CB 3.37Å; P1047-L1050 PolarHBondContact O-N 3.28Å; P1047-Q1051 PolarHBondContact O-N 3.14Å; P1047-T1073 HydrophobicContact CB-CG2 3.79Å
1048G68.6Low77.6Confident33 Ų3350.6 Ų50.634%0.3427%0.266SS..Hα-helixtrans-62.9-38.2175.700000113.6V1046 L1050 Q1051 D1052V1046-G1048 PolarHBondContact O-N 2.66Å; V1046-G1048 VanDerWaalsContact O-N 3.16Å; G1048-L1050 VanDerWaalsContact C-N 3.29Å; G1048-L1050 PolarHBondContact O-N 3.32Å; G1048-Q1051 WeakPolarHBondContact O-CB 3.26Å; G1048-Q1051 PolarHBondContact O-N 3.05Å; G1048-Q1051 VanDerWaalsContact O-N 3.08Å; G1048-D1052 VanDerWaalsContact O-CG 3.31Å; G1048-D1052 PolarHBondContact O-N 2.82Å
1049L76.4Confident77.2Confident7 Ų753.4 Ų53.44%0.03728%0.284CS..Hα-helixtrans-65.4-31.6177.2-98.3146.9000112.6Y979 L982 L983 V986 F1041 V1046 P1047 Q1051 D1052 A1053Y979-L1049 HydrophobicContact CE2-CD2 3.96Å; L982-L1049 HydrophobicContact CD2-CD2 4.3Å; L982-L1049 HydrophobicContact CD2-CG 4.27Å; L983-L1049 HydrophobicContact CB-CD2 4.28Å; L983-L1049 HydrophobicContact CD1-CD2 4.18Å; V986-L1049 HydrophobicContact CB-CD1 3.79Å; V986-L1049 HydrophobicContact CG1-CD1 3.82Å; V986-L1049 HydrophobicContact CG2-CD1 3.59Å; F1041-L1049 HydrophobicContact CD1-CB 3.77Å; F1041-L1049 HydrophobicContact CE1-CB 3.83Å; F1041-L1049 HydrophobicContact CE1-CD2 4.14Å; F1041-L1049 HydrophobicContact CE1-CG 4.44Å; F1041-L1049 HydrophobicContact CG-CB 4.46Å; V1046-L1049 HydrophobicContact CB-CD1 4Å; V1046-L1049 HydrophobicContact CG1-CD1 4.44Å; V1046-L1049 HydrophobicContact CG2-CB 4.44Å; V1046-L1049 HydrophobicContact CG2-CD1 3.89Å; V1046-L1049 PolarHBondContact O-N 2.79Å; P1047-L1049 PolarHBondContact O-N 2.89Å; L1049-Q1051 VanDerWaalsContact C-N 3.34Å; L1049-D1052 PolarHBondContact O-N 3Å; L1049-A1053 PolarHBondContact O-N 3.49Å
1050L82.9Confident76.9Confident1 Ų150.2 Ų50.21%0.00528%0.277CS..Hα-helixtrans-65.2-40172.8-176.468.7000110.9F1034 L1037 F1041 P1047 G1048 Y1065 L1072F1034-L1050 HydrophobicContact CE2-CD2 3.9Å; F1034-L1050 HydrophobicContact CE2-CG 4.45Å; F1034-L1050 HydrophobicContact CZ-CD2 4.4Å; L1037-L1050 HydrophobicContact CB-CD1 3.67Å; F1041-L1050 HydrophobicContact CB-CB 4.18Å; F1041-L1050 HydrophobicContact CD2-CB 4.26Å; F1041-L1050 HydrophobicContact CD2-CD1 3.93Å; F1041-L1050 HydrophobicContact CG-CB 4.43Å; P1047-L1050 WeakPolarHBondContact O-CB 3.37Å; P1047-L1050 PolarHBondContact O-N 3.28Å; G1048-L1050 VanDerWaalsContact C-N 3.29Å; G1048-L1050 PolarHBondContact O-N 3.32Å; L1050-Y1065 WeakPolarHBondContact O-CE1 3.29Å; L1050-Y1065 PolarHBondContact O-OH 3.39Å; L1050-L1072 HydrophobicContact CD2-CD2 3.58Å
1051Q79.6Confident77Confident49 Ų4949.9 Ų49.923%0.22928%0.275CS..Hα-helixtrans-70.3-40.2176.8-167.81708.900111.7P1047 G1048 L1049 A1053 I1054P1047-Q1051 PolarHBondContact O-N 3.14Å; G1048-Q1051 WeakPolarHBondContact O-CB 3.26Å; G1048-Q1051 PolarHBondContact O-N 3.05Å; G1048-Q1051 VanDerWaalsContact O-N 3.08Å; L1049-Q1051 VanDerWaalsContact C-N 3.34Å; Q1051-A1053 PolarHBondContact O-N 3.15Å; Q1051-I1054 VanDerWaalsContact O-CB 3.29Å; Q1051-I1054 WeakPolarHBondContact O-CB 3.3Å; Q1051-I1054 VanDerWaalsContact O-CG2 3.24Å; Q1051-I1054 WeakPolarHBondContact O-CG2 3.29Å; Q1051-I1054 PolarHBondContact O-N 3Å
1052D79.1Confident77.3Confident78 Ų7853 Ų5342%0.41729%0.287SS..Hα-helixtrans-68.2-21.7-179.3-68.2-22.9000113.4Y979 G1048 L1049 I1054 C1055Y979-D1052 HydrophobicContact CD2-CB 3.81Å; Y979-D1052 HydrophobicContact CE2-CB 3.93Å; G1048-D1052 VanDerWaalsContact O-CG 3.31Å; G1048-D1052 PolarHBondContact O-N 2.82Å; L1049-D1052 PolarHBondContact O-N 3Å; D1052-I1054 PolarHBondContact O-N 3.49Å; D1052-C1055 PolarHBondContact O-N 3.42Å; D1052-C1055 PolarHBondContact O-SG 2.87Å
1053A82.8Confident77.7Confident0 Ų056 Ų560%030%0.296CS..G310 helixtrans-61.8-11.3174.400000113.2Y979 L1037 L1049 Q1051 C1055 F1056Y979-A1053 HydrophobicContact CE2-CB 4Å; L1037-A1053 HydrophobicContact CD1-CB 4.2Å; L1049-A1053 PolarHBondContact O-N 3.49Å; Q1051-A1053 PolarHBondContact O-N 3.15Å; A1053-C1055 PolarHBondContact O-N 3.27Å; A1053-F1056 PolarHBondContact O-N 3.13Å
1054I85.2Confident78.2Confident52 Ų5255 Ų5527%0.26728%0.281SS..G310 helixtrans-54-23.6172.6-159166.6000113.1Q1051 D1052 F1056 I1057 R1062 Y1065 A1066Q1051-I1054 VanDerWaalsContact O-CB 3.29Å; Q1051-I1054 WeakPolarHBondContact O-CB 3.3Å; Q1051-I1054 VanDerWaalsContact O-CG2 3.24Å; Q1051-I1054 WeakPolarHBondContact O-CG2 3.29Å; Q1051-I1054 PolarHBondContact O-N 3Å; D1052-I1054 PolarHBondContact O-N 3.49Å; I1054-F1056 PolarHBondContact O-N 3.01Å; I1054-I1057 WeakPolarHBondContact O-CB 3.34Å; I1054-I1057 PolarHBondContact O-N 2.78Å; I1054-I1057 VanDerWaalsContact O-N 3.1Å; I1054-R1062 HydrophobicContact CD1-CB 4.18Å; I1054-R1062 HydrophobicContact CD1-CG 4.36Å; I1054-R1062 HydrophobicContact CG1-CB 4.25Å; I1054-R1062 HydrophobicContact CG1-CG 3.93Å; I1054-Y1065 HydrophobicContact CB-CD1 4.07Å; I1054-Y1065 HydrophobicContact CB-CE1 4.19Å; I1054-Y1065 HydrophobicContact CD1-CD1 4.38Å; I1054-Y1065 HydrophobicContact CG1-CD1 4.07Å; I1054-A1066 HydrophobicContact CD1-CB 4.41Å
1055C78.1Confident79.2Confident30 Ų3053.8 Ų53.820%0.20328%0.275CS..G310 helixtrans-64.6-22.4176.666.60000113.8L975 D1052 A1053L975-C1055 HydrophobicContact CB-CB 4.31Å; L975-C1055 HydrophobicContact CD2-CB 4.25Å; D1052-C1055 PolarHBondContact O-N 3.42Å; D1052-C1055 PolarHBondContact O-SG 2.87Å; A1053-C1055 PolarHBondContact O-N 3.27Å
1056F80.5Confident79.8Confident37 Ų3745.8 Ų45.816%0.16224%0.24CC..G310 helixtrans-95.5-0.1175-55.2-84.8000113.9Y979 M980 F1004 M1008 A1053 I1054Y979-F1056 HydrophobicContact CD1-CD2 4.41Å; Y979-F1056 AromaticContact CD1-CE2 3.2Å; Y979-F1056 HydrophobicContact CD1-CE2 3.2Å; Y979-F1056 AromaticContact CD1-CZ 3.57Å; Y979-F1056 HydrophobicContact CD1-CZ 3.57Å; Y979-F1056 HydrophobicContact CD2-CE2 4.18Å; Y979-F1056 HydrophobicContact CE1-CD2 4.41Å; Y979-F1056 AromaticContact CE1-CE2 3.49Å; Y979-F1056 HydrophobicContact CE1-CE2 3.49Å; Y979-F1056 VanDerWaalsContact CE1-CE2 3.49Å; Y979-F1056 HydrophobicContact CE1-CZ 4.14Å; Y979-F1056 HydrophobicContact CE2-CE2 4.42Å; Y979-F1056 AromaticContact CG-CE2 3.55Å; Y979-F1056 HydrophobicContact CG-CE2 3.55Å; Y979-F1056 HydrophobicContact CG-CZ 4.07Å; M980-F1056 HydrophobicContact CG-CZ 4.3Å; M980-F1056 HydrophobicContact SD-CZ 4.36Å; F1004-F1056 HydrophobicContact CZ-CD2 4.43Å; F1004-F1056 HydrophobicContact CZ-CE2 4.18Å; M1008-F1056 HydrophobicContact CE-CB 3.2Å; M1008-F1056 HydrophobicContact CE-CD1 4.38Å; M1008-F1056 HydrophobicContact CE-CG 3.84Å; M1008-F1056 HydrophobicContact SD-CB 4.38Å; A1053-F1056 PolarHBondContact O-N 3.13Å; I1054-F1056 PolarHBondContact O-N 3.01Å
1057I84.7Confident80.6Confident4 Ų446.8 Ų46.82%0.02124%0.242CC..SBendtrans-91.5135.7-177.3-52.4-57.9000109.5Y1011 I1030 L1033 I1054 H1061 R1062 Y1065Y1011-I1057 HydrophobicContact CE1-CD1 4.39Å; I1030-I1057 HydrophobicContact CD1-CG2 4.21Å; L1033-I1057 HydrophobicContact CD2-CD1 3.22Å; L1033-I1057 HydrophobicContact CG-CD1 4.47Å; I1054-I1057 WeakPolarHBondContact O-CB 3.34Å; I1054-I1057 PolarHBondContact O-N 2.78Å; I1054-I1057 VanDerWaalsContact O-N 3.1Å; I1057-H1061 HydrophobicContact CG2-CB 3.44Å; I1057-H1061 VanDerWaalsContact CG2-CB 3.44Å; I1057-R1062 HydrophobicContact CB-CG 4.26Å; I1057-R1062 HydrophobicContact CG2-CG 4.17Å; I1057-R1062 PolarHBondContact O-NE 2.95Å; I1057-Y1065 HydrophobicContact CD1-CD2 4.26Å; I1057-Y1065 HydrophobicContact CD1-CE2 4.39Å; I1057-Y1065 HydrophobicContact CG1-CD1 4.3Å; I1057-Y1065 HydrophobicContact CG1-CD2 4.26Å; I1057-Y1065 HydrophobicContact CG1-CG 4.14Å
1058L81.3Confident81.6Confident46 Ų4644.6 Ų44.624%0.24123%0.227CC..  trans-62.5144.4177.8-74.8172000109.5Y1011 I1015 E1060 H1061 R1062Y1011-L1058 PolarHBondContact OH-N 3.41Å; Y1011-L1058 VanDerWaalsContact OH-N 3.15Å; I1015-L1058 HydrophobicContact CB-CD1 4.48Å; I1015-L1058 HydrophobicContact CD1-CD1 3.46Å; I1015-L1058 VanDerWaalsContact CD1-CD1 3.46Å; I1015-L1058 HydrophobicContact CD1-CG 4.06Å; I1015-L1058 HydrophobicContact CG1-CD1 3.85Å; I1015-L1058 HydrophobicContact CG2-CD1 3.78Å; L1058-E1060 HydrophobicContact CB-CG 3.97Å; L1058-E1060 PolarHBondContact O-N 2.87Å; L1058-E1060 VanDerWaalsContact O-N 3.09Å; L1058-H1061 WeakPolarHBondContact O-CB 3.36Å; L1058-H1061 PolarHBondContact O-N 2.72Å; L1058-R1062 PolarHBondContact O-N 2.8Å
1059P75.1Confident82.2Confident76 Ų7643.1 Ų43.149%0.49421%0.211SC..Hα-helixtrans-48.7-41.6-177.7-29.335.3000114.3H1061 R1062P1059-H1061 PolarHBondContact O-N 3.48Å; P1059-R1062 PolarHBondContact O-N 3.15Å
1060E77.2Confident82.4Confident121 Ų12146.1 Ų46.157%0.56523%0.225SC*.Hα-helixtrans-63.2-20.8177.757-165.1-169.800114.9L1058L1058-E1060 HydrophobicContact CB-CG 3.97Å; L1058-E1060 PolarHBondContact O-N 2.87Å; L1058-E1060 VanDerWaalsContact O-N 3.09Å
1061H84.7Confident82.2Confident10 Ų1052 Ų525%0.04626%0.256CS..Hα-helixtrans-103.1-14.4-178.6-69.5164.9000113.9Y1011 I1030 I1057 L1058 P1059 K1063 R1064 Y1065Y1011-H1061 AromaticContact CE2-ND1 3.76Å; Y1011-H1061 AromaticContact CZ-ND1 3.78Å; Y1011-H1061 PolarHBondContact OH-ND1 3.09Å; I1030-H1061 HydrophobicContact CD1-CB 3.45Å; I1030-H1061 VanDerWaalsContact CD1-CB 3.45Å; I1030-H1061 HydrophobicContact CG1-CB 3.64Å; I1057-H1061 HydrophobicContact CG2-CB 3.44Å; I1057-H1061 VanDerWaalsContact CG2-CB 3.44Å; L1058-H1061 WeakPolarHBondContact O-CB 3.36Å; L1058-H1061 PolarHBondContact O-N 2.72Å; P1059-H1061 PolarHBondContact O-N 3.48Å; H1061-K1063 VanDerWaalsContact C-N 3.32Å; H1061-K1063 PolarHBondContact O-N 2.57Å; H1061-R1064 PolarHBondContact O-N 3.46Å; H1061-Y1065 PolarHBondContact O-N 2.71Å; H1061-Y1065 VanDerWaalsContact O-N 3.15Å
1062R86.6Confident82.1Confident67 Ų6753.8 Ų53.825%0.25327%0.267SS..Hα-helixtrans-60.5-37.9-173.1-72.4-178.3-177.4177.5-5.1113.3I1054 I1057 L1058 P1059 Y1065 A1066I1054-R1062 HydrophobicContact CD1-CB 4.18Å; I1054-R1062 HydrophobicContact CD1-CG 4.36Å; I1054-R1062 HydrophobicContact CG1-CB 4.25Å; I1054-R1062 HydrophobicContact CG1-CG 3.93Å; I1057-R1062 HydrophobicContact CB-CG 4.26Å; I1057-R1062 HydrophobicContact CG2-CG 4.17Å; I1057-R1062 PolarHBondContact O-NE 2.95Å; L1058-R1062 PolarHBondContact O-N 2.8Å; P1059-R1062 PolarHBondContact O-N 3.15Å; R1062-Y1065 PolarHBondContact O-N 3.45Å; R1062-A1066 WeakPolarHBondContact O-CB 3.29Å; R1062-A1066 PolarHBondContact O-N 3.36Å
1063K81.2Confident81.6Confident158 Ų15852 Ų5269%0.68726%0.259SS*.Hα-helixtrans-60.3-51.3179.7-174.5-177.5175.4-1740111.5H1061 Y1065 A1066 E1067H1061-K1063 VanDerWaalsContact C-N 3.32Å; H1061-K1063 PolarHBondContact O-N 2.57Å; K1063-Y1065 VanDerWaalsContact C-N 3.34Å; K1063-Y1065 PolarHBondContact O-N 2.91Å; K1063-A1066 PolarHBondContact O-N 3.45Å; K1063-E1067 WeakPolarHBondContact CE-OE1 3.45Å; K1063-E1067 WeakPolarHBondContact O-CG 3.42Å; K1063-E1067 PolarHBondContact O-N 2.68Å
1064R86.8Confident80.9Confident68 Ų6854.9 Ų54.926%0.25729%0.288SS..Hα-helixtrans-64.8-39.6179.6-176.458.3176.8167.6-0.2111.7I1030 E1031 H1061 E1067 L1068I1030-R1064 HydrophobicContact CB-CG 4.32Å; I1030-R1064 HydrophobicContact CG2-CB 4.07Å; I1030-R1064 HydrophobicContact CG2-CG 3.82Å; E1031-R1064 IonicContact OE1-CZ 3.46Å; E1031-R1064 IonicContact OE1-NE 2.74Å; E1031-R1064 IonicContact OE1-NH2 3.8Å; E1031-R1064 PolarHBondContact OE1-NH2 3.09Å; H1061-R1064 PolarHBondContact O-N 3.46Å; R1064-E1067 IonicContact NH1-OE2 3.44Å; R1064-E1067 PolarHBondContact NH1-OE2 3.03Å; R1064-E1067 PolarHBondContact O-N 2.52Å; R1064-L1068 HydrophobicContact CG-CD1 4.42Å; R1064-L1068 WeakPolarHBondContact O-CG 3.49Å; R1064-L1068 PolarHBondContact O-N 3.19Å; R1064-L1068 VanDerWaalsContact O-N 3.09Å
1065Y88.8Confident79.3Confident0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-62.1-43.9175.7-170.6-96.5000112.3I1030 F1034 L1037 L1050 I1054 I1057 H1061 R1062 K1063 L1068 C1069I1030-Y1065 HydrophobicContact CG2-CD2 4.41Å; F1034-Y1065 HydrophobicContact CD2-CE2 4.29Å; L1037-Y1065 HydrophobicContact CD1-CE2 4.04Å; L1037-Y1065 WeakPolarHBondContact CD1-OH 3.4Å; L1050-Y1065 WeakPolarHBondContact O-CE1 3.29Å; L1050-Y1065 PolarHBondContact O-OH 3.39Å; I1054-Y1065 HydrophobicContact CB-CD1 4.07Å; I1054-Y1065 HydrophobicContact CB-CE1 4.19Å; I1054-Y1065 HydrophobicContact CD1-CD1 4.38Å; I1054-Y1065 HydrophobicContact CG1-CD1 4.07Å; I1057-Y1065 HydrophobicContact CD1-CD2 4.26Å; I1057-Y1065 HydrophobicContact CD1-CE2 4.39Å; I1057-Y1065 HydrophobicContact CG1-CD1 4.3Å; I1057-Y1065 HydrophobicContact CG1-CD2 4.26Å; I1057-Y1065 HydrophobicContact CG1-CG 4.14Å; H1061-Y1065 PolarHBondContact O-N 2.71Å; H1061-Y1065 VanDerWaalsContact O-N 3.15Å; R1062-Y1065 PolarHBondContact O-N 3.45Å; K1063-Y1065 VanDerWaalsContact C-N 3.34Å; K1063-Y1065 PolarHBondContact O-N 2.91Å; Y1065-L1068 PolarHBondContact O-N 3.32Å; Y1065-C1069 WeakPolarHBondContact CE1-SG 3.47Å; Y1065-C1069 PolarHBondContact O-N 2.98Å; Y1065-C1069 PolarHBondContact O-SG 3.16Å
1066A82.1Confident77.7Confident17 Ų1759.1 Ų59.114%0.1432%0.315CS..Hα-helixtrans-64.8-38.717700000112.6I1054 R1062 K1063 C1069 H1070 I1077I1054-A1066 HydrophobicContact CD1-CB 4.41Å; R1062-A1066 WeakPolarHBondContact O-CB 3.29Å; R1062-A1066 PolarHBondContact O-N 3.36Å; K1063-A1066 PolarHBondContact O-N 3.45Å; A1066-C1069 PolarHBondContact O-N 2.9Å; A1066-H1070 WeakPolarHBondContact O-CB 3.29Å; A1066-H1070 PolarHBondContact O-N 3.41Å; A1066-I1077 HydrophobicContact CB-CG2 4.39Å
1067E84.6Confident76.1Confident61 Ų6161.7 Ų61.729%0.28533%0.329SS..Hα-helixtrans-60.8-44.3172.9-73169.2-17200112K1063 R1064 H1070 N1071K1063-E1067 WeakPolarHBondContact CE-OE1 3.45Å; K1063-E1067 WeakPolarHBondContact O-CG 3.42Å; K1063-E1067 PolarHBondContact O-N 2.68Å; R1064-E1067 IonicContact NH1-OE2 3.44Å; R1064-E1067 PolarHBondContact NH1-OE2 3.03Å; R1064-E1067 PolarHBondContact O-N 2.52Å; E1067-H1070 PolarHBondContact O-N 3.13Å; E1067-N1071 VanDerWaalsContact O-CG 3.23Å; E1067-N1071 PolarHBondContact O-N 3.32Å; E1067-N1071 PolarHBondContact O-ND2 3.22Å
1068L86.8Confident74.4Confident22 Ų2266.8 Ų66.812%0.11536%0.36CS..Hα-helixtrans-65.8-41.2177.8-68.6170.3000112I1030 E1031 F1034 R1064 Y1065 N1071 L1072I1030-L1068 HydrophobicContact CG2-CD1 4.07Å; E1031-L1068 HydrophobicContact CG-CD1 4.07Å; F1034-L1068 HydrophobicContact CB-CB 4.46Å; F1034-L1068 HydrophobicContact CB-CD1 3.66Å; F1034-L1068 HydrophobicContact CD1-CB 3.92Å; F1034-L1068 HydrophobicContact CD1-CD1 4.12Å; F1034-L1068 HydrophobicContact CD1-CD2 4.39Å; F1034-L1068 HydrophobicContact CD1-CG 4.37Å; F1034-L1068 HydrophobicContact CD2-CB 3.6Å; F1034-L1068 HydrophobicContact CD2-CD1 4.37Å; F1034-L1068 HydrophobicContact CE1-CB 3.99Å; F1034-L1068 HydrophobicContact CE2-CB 3.68Å; F1034-L1068 HydrophobicContact CG-CB 3.71Å; F1034-L1068 HydrophobicContact CG-CD1 3.8Å; F1034-L1068 HydrophobicContact CG-CG 4.29Å; F1034-L1068 HydrophobicContact CZ-CB 3.87Å; F1034-L1068 VanDerWaalsContact CZ-O 3.25Å; F1034-L1068 WeakPolarHBondContact CZ-O 3.39Å; R1064-L1068 HydrophobicContact CG-CD1 4.42Å; R1064-L1068 WeakPolarHBondContact O-CG 3.49Å; R1064-L1068 PolarHBondContact O-N 3.19Å; R1064-L1068 VanDerWaalsContact O-N 3.09Å; Y1065-L1068 PolarHBondContact O-N 3.32Å; L1068-N1071 PolarHBondContact O-N 3.04Å; L1068-L1072 PolarHBondContact O-N 3.41Å
1069C82.3Confident72.4Confident2 Ų272 Ų721%0.01438%0.384CS..Hα-helixtrans-64.1-42.2175.1-660000111.9Y1065 A1066 L1072 T1073Y1065-C1069 WeakPolarHBondContact CE1-SG 3.47Å; Y1065-C1069 PolarHBondContact O-N 2.98Å; Y1065-C1069 PolarHBondContact O-SG 3.16Å; A1066-C1069 PolarHBondContact O-N 2.9Å; C1069-L1072 PolarHBondContact O-N 2.97Å; C1069-T1073 WeakPolarHBondContact O-CB 3.36Å; C1069-T1073 WeakPolarHBondContact O-CG2 3.19Å; C1069-T1073 PolarHBondContact O-N 2.98Å; C1069-T1073 PolarHBondContact O-OG1 2.93Å
1070H79Confident70.3Confident70 Ų7072.1 Ų72.132%0.32439%0.386SS..Hα-helixtrans-60.3-47.1176.4179.263.8000111.7A1066 E1067 L1072 T1073 G1074 L1075 I1077A1066-H1070 WeakPolarHBondContact O-CB 3.29Å; A1066-H1070 PolarHBondContact O-N 3.41Å; E1067-H1070 PolarHBondContact O-N 3.13Å; H1070-L1072 PolarHBondContact O-N 3.44Å; H1070-T1073 PolarHBondContact O-N 3.24Å; H1070-G1074 WeakPolarHBondContact O-CA 3.47Å; H1070-G1074 PolarHBondContact O-N 2.91Å; H1070-L1075 PolarHBondContact ND1-O 3.32Å; H1070-I1077 HydrophobicContact CB-CG1 4.09Å
1071N80.3Confident68.1Low124 Ų12473.2 Ų73.266%0.66340%0.396SS*.Hα-helixtrans-62.8-26.9179.9-70.8-20.7000113.5E1067 L1068E1067-N1071 VanDerWaalsContact O-CG 3.23Å; E1067-N1071 PolarHBondContact O-N 3.32Å; E1067-N1071 PolarHBondContact O-ND2 3.22Å; L1068-N1071 PolarHBondContact O-N 3.04Å
1072L77.1Confident65.5Low86 Ų8677.9 Ų77.945%0.4543%0.43SS..Hα-helixtrans-88.9-35.7178.3-173.474.8000113.1F1034 I1042 L1050 L1068 C1069 H1070F1034-L1072 HydrophobicContact CZ-CB 3.99Å; F1034-L1072 HydrophobicContact CZ-CD2 3.86Å; F1034-L1072 HydrophobicContact CZ-CG 4.47Å; I1042-L1072 HydrophobicContact CD1-CD1 4.2Å; I1042-L1072 HydrophobicContact CD1-CD2 3.84Å; I1042-L1072 HydrophobicContact CG1-CD2 4.15Å; L1050-L1072 HydrophobicContact CD2-CD2 3.58Å; L1068-L1072 PolarHBondContact O-N 3.41Å; C1069-L1072 PolarHBondContact O-N 2.97Å; H1070-L1072 PolarHBondContact O-N 3.44Å
1073T68.4Low62.9Low41 Ų4182 Ų8225%0.25246%0.455SS..Hα-helixtrans-109.9-16.9-167.363.20000114.8P1047 C1069 H1070 L1075P1047-T1073 HydrophobicContact CB-CG2 3.79Å; C1069-T1073 WeakPolarHBondContact O-CB 3.36Å; C1069-T1073 WeakPolarHBondContact O-CG2 3.19Å; C1069-T1073 PolarHBondContact O-N 2.98Å; C1069-T1073 PolarHBondContact O-OG1 2.93Å; H1070-T1073 PolarHBondContact O-N 3.24Å; T1073-L1075 PolarHBondContact O-N 3.43Å; T1073-L1075 PolarHBondContact OG1-N 2.75Å
1074G67.3Low60.4Low60 Ų6081.6 Ų81.662%0.61946%0.461SS*.  trans70.91.8-172.700000114.8H1070H1070-G1074 WeakPolarHBondContact O-CA 3.47Å; H1070-G1074 PolarHBondContact O-N 2.91Å
1075L51.4Low57.6Low71 Ų7187.4 Ų87.437%0.37249%0.488SS..  trans-79.3140.5-177.7-65.3170.1000111.7H1070 T1073H1070-L1075 PolarHBondContact ND1-O 3.32Å; T1073-L1075 PolarHBondContact O-N 3.43Å; T1073-L1075 PolarHBondContact OG1-N 2.75Å
1076P45.6Very low54.6Low101 Ų10197.7 Ų97.766%0.65653%0.533SS*.  trans-62.4145.7-173.123.3-32.5000113.8V1078P1076-V1078 PolarHBondContact O-N 3.37Å
1077I47.6Very low52Low90 Ų90102.9 Ų102.946%0.46256%0.563SS.*  trans-68.1112.5178-58.9171.2000109.6A1066 H1070 Q1079A1066-I1077 HydrophobicContact CB-CG2 4.39Å; H1070-I1077 HydrophobicContact CB-CG1 4.09Å; I1077-Q1079 PolarHBondContact O-N 3.42Å; I1077-Q1079 VanDerWaalsContact O-N 3.1Å
1078V48.3Very low49.2Very low111 Ų111106.5 Ų106.567%0.67358%0.584SS**  trans-71.6102.5169.7-176.50000108.2P1076 S1080P1076-V1078 PolarHBondContact O-N 3.37Å; V1078-S1080 PolarHBondContact O-N 2.95Å; V1078-S1080 VanDerWaalsContact O-N 3.15Å
1079Q38.2Very low46.5Very low157 Ų157112.2 Ų112.273%0.73462%0.62SS**  trans-67.6108.8173.3-73.6-174.5-8.300109.7I1077 N1081I1077-Q1079 PolarHBondContact O-N 3.42Å; I1077-Q1079 VanDerWaalsContact O-N 3.1Å; Q1079-N1081 PolarHBondContact O-N 3.14Å
1080S32.1Very low43.9Very low77 Ų77116.8 Ų116.854%0.53865%0.652SS.*THydrogen-bonded Turntrans-74.243-177.762.30000114.7V1078V1078-S1080 PolarHBondContact O-N 2.95Å; V1078-S1080 VanDerWaalsContact O-N 3.15Å
1081N31.2Very low41.5Very low144 Ų144120.4 Ų120.477%0.7767%0.674SS**THydrogen-bonded Turntrans-117.88.7-177.5-79.9-1000114.7Q1079Q1079-N1081 PolarHBondContact O-N 3.14Å
1082S29.8Very low39.2Very low109 Ų109124.2 Ų124.276%0.76269%0.687SS**SBendtrans-98.414.4-173.249.40000115.7
1083I31.2Very low37.2Very low152 Ų152123.8 Ų123.878%0.77970%0.704SS**SBendtrans-108.3-15-172.4-63.7176.9000114.6
1084D29Very low35.6Very low151 Ų151135 Ų13581%0.80776%0.757SS**SBendtrans-120.838.6-172-73.3-36.1000116.4
1085K27.5Very low34Very low190 Ų190138.8 Ų138.883%0.82676%0.764SS**  trans-133.968.2175-72.1-167.4178.7-175.10114.4
1086F26.2Very low33.1Very low215 Ų215142.4 Ų142.494%0.94379%0.785SS**  trans-148.355.2159.7-88.4-75.2000110.9
1087V27.5Very low32.4Very low127 Ų127144.7 Ų144.777%0.7779%0.792SS**SBendtrans-145.4124.2163.6-176.60000108.2
1088D26.1Very low31.5Very low136 Ų136147.9 Ų147.973%0.72781%0.811SS**  trans54.2114.8161.9-62.9-26.4000120.1
1089T30.2Very low30.5Very low142 Ų142150.2 Ų150.287%0.87182%0.82SS**  trans-170.871.1133.7250000109.9
1090S27.2Very low30Very low99 Ų99149.7 Ų149.769%0.69283%0.826SS**  trans-77.1135.4142.7520000108
1091N29.5Very low29.8Very low146 Ų146154.9 Ų154.978%0.78185%0.846SS**  trans92.5121.6174.4-59.3-29.8000117.4
1092Q32Very low29.7Very low203 Ų203155.8 Ų155.895%0.94985%0.852SS**  trans112111.5151.1-61.3-173-0.100116.5
1093G35.6Very low29.7Very low78 Ų78159.7 Ų159.780%0.80486%0.86SS**  trans130.591140.400000117.3
1094M34.5Very low29.6Very low277 Ų277160.4 Ų160.4100%1.36587%0.867SS**  trans71.30164.9-81.1-178.514800119.9

Retrieved 1,094 of 1,094 residues in 771.8 ms (Link to these results)

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