A0A5K4EMX2_SCHMA Loading...

Regulator of telomere elongation helicase 1 homolog

AlphaFold DB , UniProt , Accession A0A5K4EMX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,178 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
1M65.9Low86.5Confident115 Ų11555.7 Ų55.757%0.56733%0.325SS*.  0143.10-74158.158.700107.1D12 F13 P14 V133M1-D12 HydrophobicContact CE-CB 4.37Å; M1-D12 VanDerWaalsContact CE-O 3.26Å; M1-D12 WeakPolarHBondContact CE-O 3.45Å; M1-F13 WeakPolarHBondContact CB-O 3.45Å; M1-P14 HydrophobicContact CE-CB 4.07Å; M1-V133 HydrophobicContact CE-CG1 3.91Å; M1-V133 HydrophobicContact CE-CG2 4.15Å; M1-V133 HydrophobicContact SD-CG1 3.83Å
2P76Confident87.1Confident40 Ų4054.6 Ų54.626%0.2632%0.317SS..  trans-65.1133.7172.327.3-33.8000110.2F13 Y15P2-F13 WeakPolarHBondContact CD-O 3.41Å; P2-F13 PolarHBondContact O-N 3.06Å; P2-Y15 WeakPolarHBondContact CG-O 3.37Å
3Q81.1Confident87.6Confident127 Ų12750.4 Ų50.459%0.59329%0.293SS*.EExtended strand (participates in β ladder)trans-88134.1162.6-79.6-178.3-25.800108.7I11 D12Q3-I11 WeakPolarHBondContact CA-O 3.23Å; Q3-D12 WeakPolarHBondContact CG-OD1 3.14Å; Q3-D12 PolarHBondContact NE2-OD1 3.11Å
4I89.6Confident87.8Confident16 Ų1648.4 Ų48.48%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-120.6108.8-177.4-44.9164.1000108.2I6 I11 F13 P17 F22 M25I4-I6 HydrophobicContact CG2-CD1 4Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-I6 PolarHBondContact O-N 3.15Å; I4-I11 HydrophobicContact CB-CB 4.39Å; I4-I11 PolarHBondContact N-O 2.84Å; I4-I11 PolarHBondContact O-N 3.1Å; I4-F13 HydrophobicContact CD1-CB 3.47Å; I4-F13 VanDerWaalsContact CD1-CB 3.47Å; I4-F13 HydrophobicContact CD1-CD1 4.27Å; I4-F13 HydrophobicContact CD1-CG 4.09Å; I4-F13 HydrophobicContact CG1-CB 4.38Å; I4-P17 HydrophobicContact CD1-CB 4.14Å; I4-P17 HydrophobicContact CD1-CG 3.65Å; I4-P17 HydrophobicContact CG1-CG 4.38Å; I4-F22 HydrophobicContact CG2-CD2 3.82Å; I4-F22 HydrophobicContact CG2-CE2 3.58Å; I4-M25 HydrophobicContact CD1-CE 3.72Å
5A91.6Very high87.8Confident61 Ų6155.6 Ų55.650%0.50430%0.304SS..EExtended strand (participates in β ladder)trans-77.9116.5172.800000110.3V9 E10A5-V9 WeakPolarHBondContact CA-O 3.45Å; A5-E10 WeakPolarHBondContact CB-OE1 3.34Å
6I92.4Very high87.8Confident7 Ų761.1 Ų61.14%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-133.3124.3173.7-51-174.7000108.6I4 G8 V9 I11 F22 M25 T26 L29I4-I6 HydrophobicContact CG2-CD1 4Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-I6 PolarHBondContact O-N 3.15Å; I6-G8 PolarHBondContact O-N 3.14Å; I6-G8 VanDerWaalsContact O-N 3.08Å; I6-V9 PolarHBondContact N-O 3.45Å; I6-V9 WeakPolarHBondContact O-CA 3.49Å; I6-V9 VanDerWaalsContact O-CB 3.25Å; I6-V9 WeakPolarHBondContact O-CB 3.31Å; I6-V9 PolarHBondContact O-N 3.31Å; I6-I11 HydrophobicContact CB-CD1 4.47Å; I6-I11 HydrophobicContact CD1-CD1 3.82Å; I6-I11 HydrophobicContact CG1-CD1 4.17Å; I6-F22 HydrophobicContact CD1-CD2 3.83Å; I6-F22 HydrophobicContact CD1-CE1 4.43Å; I6-F22 HydrophobicContact CD1-CE2 3.66Å; I6-F22 HydrophobicContact CD1-CG 4.3Å; I6-F22 HydrophobicContact CD1-CZ 3.98Å; I6-F22 HydrophobicContact CG1-CD2 4.36Å; I6-F22 HydrophobicContact CG1-CE2 3.69Å; I6-F22 HydrophobicContact CG1-CZ 3.86Å; I6-M25 HydrophobicContact CD1-CB 3.94Å; I6-T26 HydrophobicContact CG2-CG2 4.14Å; I6-T26 WeakPolarHBondContact CG2-OG1 3.32Å; I6-L29 HydrophobicContact CB-CD1 3.73Å; I6-L29 HydrophobicContact CG2-CD1 3.85Å
7D86.5Confident87.9Confident89 Ų8958.6 Ų58.648%0.47632%0.315SS..THydrogen-bonded Turntrans48.435.5-175.9-63-14.1000114.1V9 K62D7-V9 VanDerWaalsContact C-N 3.27Å; D7-V9 PolarHBondContact O-N 3.34Å; D7-K62 PolarHBondContact O-NZ 3.3Å
8G87.6Confident88Confident57 Ų5760.1 Ų60.159%0.58832%0.316SS*.THydrogen-bonded Turntrans62.930.4-174.400000113.6I6 K62I6-G8 PolarHBondContact O-N 3.14Å; I6-G8 VanDerWaalsContact O-N 3.08Å; G8-K62 VanDerWaalsContact C-NZ 3.3Å; G8-K62 WeakPolarHBondContact O-CD 3.46Å; G8-K62 VanDerWaalsContact O-CE 3.27Å; G8-K62 WeakPolarHBondContact O-CE 3.46Å; G8-K62 PolarHBondContact O-NZ 3.19Å
9V92.3Very high88Confident1 Ų164.3 Ų64.31%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-110.6122.7167.8-174.80000106.7A5 I6 D7 I11 L29 A58 K62A5-V9 WeakPolarHBondContact CA-O 3.45Å; I6-V9 PolarHBondContact N-O 3.45Å; I6-V9 WeakPolarHBondContact O-CA 3.49Å; I6-V9 VanDerWaalsContact O-CB 3.25Å; I6-V9 WeakPolarHBondContact O-CB 3.31Å; I6-V9 PolarHBondContact O-N 3.31Å; D7-V9 VanDerWaalsContact C-N 3.27Å; D7-V9 PolarHBondContact O-N 3.34Å; V9-I11 HydrophobicContact CG1-CG1 4.39Å; V9-L29 HydrophobicContact CB-CD1 3.79Å; V9-L29 HydrophobicContact CB-CD2 4.38Å; V9-L29 HydrophobicContact CG1-CD1 4.26Å; V9-L29 HydrophobicContact CG1-CD2 4.18Å; V9-L29 HydrophobicContact CG2-CD1 3.88Å; V9-L29 HydrophobicContact CG2-CD2 4.07Å; V9-A58 HydrophobicContact CG1-CB 3.6Å; V9-K62 HydrophobicContact CB-CD 4.45Å; V9-K62 HydrophobicContact CG2-CD 3.69Å
10E94Very high88.1Confident100 Ų10061.6 Ų61.647%0.46733%0.325SS..EExtended strand (participates in β ladder)trans-86117.7174.3-60.9-53.8144.300109.9A5 A58A5-E10 WeakPolarHBondContact CB-OE1 3.34Å; E10-A58 WeakPolarHBondContact O-CB 3.33Å
11I95Very high88.3Confident0 Ų059.2 Ų59.20%031%0.313CS..EExtended strand (participates in β ladder)trans-106.6116179.5-48.3170.8000109.7Q3 I4 I6 V9 F13 M25 L29 C54 A55 A58Q3-I11 WeakPolarHBondContact CA-O 3.23Å; I4-I11 HydrophobicContact CB-CB 4.39Å; I4-I11 PolarHBondContact N-O 2.84Å; I4-I11 PolarHBondContact O-N 3.1Å; I6-I11 HydrophobicContact CB-CD1 4.47Å; I6-I11 HydrophobicContact CD1-CD1 3.82Å; I6-I11 HydrophobicContact CG1-CD1 4.17Å; V9-I11 HydrophobicContact CG1-CG1 4.39Å; I11-F13 HydrophobicContact CG2-CB 4.46Å; I11-F13 PolarHBondContact O-N 2.94Å; I11-F13 VanDerWaalsContact O-N 3.09Å; I11-M25 HydrophobicContact CD1-CB 4.05Å; I11-M25 HydrophobicContact CD1-CG 4.45Å; I11-M25 HydrophobicContact CD1-SD 3.92Å; I11-M25 HydrophobicContact CG2-SD 4.15Å; I11-L29 HydrophobicContact CD1-CD1 4.09Å; I11-C54 HydrophobicContact CG2-CB 3.81Å; I11-A55 HydrophobicContact CD1-CB 4.25Å; I11-A58 HydrophobicContact CB-CB 4.32Å; I11-A58 HydrophobicContact CG1-CB 3.91Å; I11-A58 HydrophobicContact CG2-CB 4.41Å
12D93.4Very high89.7Confident42 Ų4257.9 Ų57.923%0.22530%0.304CS..EExtended strand (participates in β ladder)trans-80.477.9171.8-69.7-73.8000110.4M1 Q3 V133 Y134M1-D12 HydrophobicContact CE-CB 4.37Å; M1-D12 VanDerWaalsContact CE-O 3.26Å; M1-D12 WeakPolarHBondContact CE-O 3.45Å; Q3-D12 WeakPolarHBondContact CG-OD1 3.14Å; Q3-D12 PolarHBondContact NE2-OD1 3.11Å; D12-V133 HydrophobicContact CB-CG2 3.38Å; D12-Y134 HydrophobicContact CB-CE2 4.3Å; D12-Y134 PolarHBondContact N-OH 3.36Å
13F93.3Very high90.5Very high0 Ų060.7 Ų60.70%031%0.313CS..  trans-82.2135.7-177.9-159.2-121.5000110.9M1 P2 I4 I11 Y15 P17 M25 L50 C54M1-F13 WeakPolarHBondContact CB-O 3.45Å; P2-F13 WeakPolarHBondContact CD-O 3.41Å; P2-F13 PolarHBondContact O-N 3.06Å; I4-F13 HydrophobicContact CD1-CB 3.47Å; I4-F13 VanDerWaalsContact CD1-CB 3.47Å; I4-F13 HydrophobicContact CD1-CD1 4.27Å; I4-F13 HydrophobicContact CD1-CG 4.09Å; I4-F13 HydrophobicContact CG1-CB 4.38Å; I11-F13 HydrophobicContact CG2-CB 4.46Å; I11-F13 PolarHBondContact O-N 2.94Å; I11-F13 VanDerWaalsContact O-N 3.09Å; F13-Y15 VanDerWaalsContact CD1-O 3.28Å; F13-Y15 WeakPolarHBondContact CD1-O 3.46Å; F13-Y15 PolarHBondContact O-N 3.05Å; F13-Y15 VanDerWaalsContact O-N 3.16Å; F13-P17 HydrophobicContact CD1-CB 4.17Å; F13-P17 HydrophobicContact CE1-CB 4.28Å; F13-M25 HydrophobicContact CD2-CE 4.49Å; F13-M25 HydrophobicContact CD2-SD 3.96Å; F13-M25 HydrophobicContact CE2-SD 4.16Å; F13-M25 HydrophobicContact CG-CE 4.44Å; F13-M25 HydrophobicContact CG-SD 4.42Å; F13-L50 HydrophobicContact CE2-CB 4.32Å; F13-L50 HydrophobicContact CE2-CD2 4.2Å; F13-L50 HydrophobicContact CE2-CG 3.92Å; F13-L50 HydrophobicContact CZ-CD2 4.17Å; F13-L50 HydrophobicContact CZ-CG 4.32Å; F13-C54 HydrophobicContact CD2-CB 3.92Å; F13-C54 HydrophobicContact CE2-CB 4.39Å
14P89.8Confident91.2Very high23 Ų2354.7 Ų54.715%0.14929%0.285CS..SBendtrans-66.4-17.4-173.623.5-34.1000115.6M1 L50 T132M1-P14 HydrophobicContact CE-CB 4.07Å; P14-L50 HydrophobicContact CG-CD1 4.31Å; P14-L50 HydrophobicContact CG-CD2 3.66Å; P14-L50 HydrophobicContact CG-CG 4.16Å; P14-T132 HydrophobicContact CG-CG2 4.21Å
15Y88.1Confident91.6Very high156 Ų15653.9 Ų53.961%0.61228%0.281SS*.SBendtrans-131.8168.9-176.9-52.3-67.1000110.1P2 F13 L50P2-Y15 WeakPolarHBondContact CG-O 3.37Å; F13-Y15 VanDerWaalsContact CD1-O 3.28Å; F13-Y15 WeakPolarHBondContact CD1-O 3.46Å; F13-Y15 PolarHBondContact O-N 3.05Å; F13-Y15 VanDerWaalsContact O-N 3.16Å; Y15-L50 HydrophobicContact CD2-CD2 4.06Å; Y15-L50 HydrophobicContact CE2-CD2 3.87Å
16Q88.5Confident91.8Very high143 Ų14352.6 Ų52.667%0.66827%0.267SS*.PPolyproline II helixtrans-66.6126.1162.7-173.264.319.700108.1
17P89.5Confident92.1Very high19 Ų1955.6 Ų55.612%0.12328%0.28CS..PPolyproline II helixtrans-69.6146.8179.631.6-39.2000111.2I4 F13 Q21 M25I4-P17 HydrophobicContact CD1-CB 4.14Å; I4-P17 HydrophobicContact CD1-CG 3.65Å; I4-P17 HydrophobicContact CG1-CG 4.38Å; F13-P17 HydrophobicContact CD1-CB 4.17Å; F13-P17 HydrophobicContact CE1-CB 4.28Å; P17-Q21 HydrophobicContact CB-CB 4.19Å; P17-M25 HydrophobicContact CB-CE 4.08Å
18Y88.5Confident92.6Very high85 Ų8551.4 Ų51.433%0.33326%0.257SS..PPolyproline II helixtrans-77.6159.3160.1-44.3-58.3000110.2C20 Q21 F22 V549 Y757Y18-C20 VanDerWaalsContact C-N 3.29Å; Y18-C20 PolarHBondContact O-N 3.12Å; Y18-Q21 HydrophobicContact CD2-CG 3.9Å; Y18-Q21 HydrophobicContact CG-CG 4.5Å; Y18-Q21 WeakPolarHBondContact O-CA 3.13Å; Y18-Q21 VanDerWaalsContact O-CB 3.29Å; Y18-Q21 WeakPolarHBondContact O-CB 3.45Å; Y18-Q21 PolarHBondContact O-N 2.94Å; Y18-F22 PolarHBondContact O-N 3.41Å; Y18-V549 HydrophobicContact CD1-CG2 4.32Å; Y18-V549 HydrophobicContact CD2-CG2 3.44Å; Y18-V549 VanDerWaalsContact CD2-CG2 3.44Å; Y18-V549 HydrophobicContact CE2-CG2 3.75Å; Y18-V549 HydrophobicContact CG-CG2 3.78Å; Y18-Y757 HydrophobicContact CE1-CD1 4.39Å; Y18-Y757 HydrophobicContact CE1-CG 4.42Å; Y18-Y757 AromaticContact CZ-CD1 3.96Å; Y18-Y757 WeakPolarHBondContact OH-CD1 3.43Å
19D89.2Confident93Very high141 Ų14148.7 Ų48.775%0.75423%0.229SC*.Hα-helixtrans-54.9-43.8-179.1-52.1-38.9000112.3Q21 F22 E23D19-Q21 VanDerWaalsContact C-N 3.25Å; D19-Q21 PolarHBondContact O-N 3.11Å; D19-F22 WeakPolarHBondContact O-CB 3.46Å; D19-F22 PolarHBondContact O-N 2.98Å; D19-F22 VanDerWaalsContact O-N 3.13Å; D19-E23 PolarHBondContact O-N 2.89Å
20C90Very high93.2Very high9 Ų951.1 Ų51.16%0.06124%0.242CC..Hα-helixtrans-66.9-22.7176.565.10000113.7Y18 Y24 N546 P547Y18-C20 VanDerWaalsContact C-N 3.29Å; Y18-C20 PolarHBondContact O-N 3.12Å; C20-Y24 VanDerWaalsContact O-CB 3.25Å; C20-Y24 WeakPolarHBondContact O-CB 3.26Å; C20-Y24 PolarHBondContact O-N 3.4Å; C20-Y24 VanDerWaalsContact O-N 3.11Å; C20-N546 HydrophobicContact CB-CB 4.13Å; C20-N546 PolarHBondContact O-ND2 3.04Å; C20-P547 HydrophobicContact CB-CG 4.37Å
21Q92.8Very high93.4Very high13 Ų1346.3 Ų46.36%0.06122%0.22CC..Hα-helixtrans-77.6-39.2171.3-64.2-178.1-35.300111.1P17 Y18 D19 Y24 M25 T46P17-Q21 HydrophobicContact CB-CB 4.19Å; Y18-Q21 HydrophobicContact CD2-CG 3.9Å; Y18-Q21 HydrophobicContact CG-CG 4.5Å; Y18-Q21 WeakPolarHBondContact O-CA 3.13Å; Y18-Q21 VanDerWaalsContact O-CB 3.29Å; Y18-Q21 WeakPolarHBondContact O-CB 3.45Å; Y18-Q21 PolarHBondContact O-N 2.94Å; D19-Q21 VanDerWaalsContact C-N 3.25Å; D19-Q21 PolarHBondContact O-N 3.11Å; Q21-Y24 PolarHBondContact O-N 2.7Å; Q21-M25 WeakPolarHBondContact O-CG 3.47Å; Q21-M25 PolarHBondContact O-N 3.31Å; Q21-T46 WeakPolarHBondContact CG-O 3.47Å; Q21-T46 PolarHBondContact NE2-O 3.02Å
22F93.8Very high93.4Very high86 Ų8646.3 Ų46.338%0.37722%0.22SC..Hα-helixtrans-62.6-47174.1-173.1-82.9000111.1I4 I6 Y18 D19 Y24 M25 T26I4-F22 HydrophobicContact CG2-CD2 3.82Å; I4-F22 HydrophobicContact CG2-CE2 3.58Å; I6-F22 HydrophobicContact CD1-CD2 3.83Å; I6-F22 HydrophobicContact CD1-CE1 4.43Å; I6-F22 HydrophobicContact CD1-CE2 3.66Å; I6-F22 HydrophobicContact CD1-CG 4.3Å; I6-F22 HydrophobicContact CD1-CZ 3.98Å; I6-F22 HydrophobicContact CG1-CD2 4.36Å; I6-F22 HydrophobicContact CG1-CE2 3.69Å; I6-F22 HydrophobicContact CG1-CZ 3.86Å; Y18-F22 PolarHBondContact O-N 3.41Å; D19-F22 WeakPolarHBondContact O-CB 3.46Å; D19-F22 PolarHBondContact O-N 2.98Å; D19-F22 VanDerWaalsContact O-N 3.13Å; F22-Y24 VanDerWaalsContact C-N 3.33Å; F22-Y24 PolarHBondContact O-N 3.48Å; F22-M25 PolarHBondContact O-N 3.45Å; F22-T26 WeakPolarHBondContact O-CB 3.48Å; F22-T26 PolarHBondContact O-N 3.09Å; F22-T26 PolarHBondContact O-OG1 3.11Å
23E94.3Very high93.4Very high99 Ų9947 Ų4746%0.46322%0.224SC..Hα-helixtrans-59-43.1172.7-70.6-164.213500111.9D19 T26 K27 L544D19-E23 PolarHBondContact O-N 2.89Å; E23-T26 WeakPolarHBondContact O-CB 3.47Å; E23-T26 PolarHBondContact O-N 3.06Å; E23-K27 WeakPolarHBondContact O-CG 3.21Å; E23-K27 PolarHBondContact O-N 3.38Å; E23-L544 HydrophobicContact CB-CD1 4.38Å
24Y95.6Very high93.4Very high1 Ų151.5 Ų51.50%0.00424%0.244CC..Hα-helixtrans-60.7-48.8177.7-168.4-75.7000112.2C20 Q21 F22 T26 K27 V28 L40 K48 C51 L52 T522 L544C20-Y24 VanDerWaalsContact O-CB 3.25Å; C20-Y24 WeakPolarHBondContact O-CB 3.26Å; C20-Y24 PolarHBondContact O-N 3.4Å; C20-Y24 VanDerWaalsContact O-N 3.11Å; Q21-Y24 PolarHBondContact O-N 2.7Å; F22-Y24 VanDerWaalsContact C-N 3.33Å; F22-Y24 PolarHBondContact O-N 3.48Å; Y24-T26 VanDerWaalsContact C-N 3.31Å; Y24-T26 PolarHBondContact O-N 3.07Å; Y24-K27 PolarHBondContact O-N 3.38Å; Y24-V28 HydrophobicContact CD1-CG2 3.93Å; Y24-V28 HydrophobicContact CE1-CG2 3.64Å; Y24-V28 WeakPolarHBondContact O-CG2 3.25Å; Y24-V28 PolarHBondContact O-N 3.39Å; Y24-L40 HydrophobicContact CE1-CD1 4.29Å; Y24-L40 HydrophobicContact CE2-CB 3.85Å; Y24-L40 HydrophobicContact CE2-CD1 4.32Å; Y24-K48 HydrophobicContact CE2-CB 4.44Å; Y24-C51 HydrophobicContact CD1-CB 3.63Å; Y24-C51 HydrophobicContact CE1-CB 4.2Å; Y24-C51 HydrophobicContact CG-CB 4.33Å; Y24-L52 HydrophobicContact CE1-CB 3.89Å; Y24-L52 HydrophobicContact CE1-CD1 4.32Å; Y24-T522 WeakPolarHBondContact OH-CB 3.24Å; Y24-T522 PolarHBondContact OH-OG1 3.17Å; Y24-L544 VanDerWaalsContact CA-CD2 3.49Å; Y24-L544 HydrophobicContact CD2-CD2 3.84Å; Y24-L544 HydrophobicContact CG-CD2 4.18Å
25M96.6Very high93.6Very high0 Ų051.4 Ų51.40%025%0.248CC..Hα-helixtrans-61.5-40.3175.8-69.4-173.5-70.200111.3I4 I6 I11 F13 P17 Q21 F22 K27 V28 L29 C51 A55I4-M25 HydrophobicContact CD1-CE 3.72Å; I6-M25 HydrophobicContact CD1-CB 3.94Å; I11-M25 HydrophobicContact CD1-CB 4.05Å; I11-M25 HydrophobicContact CD1-CG 4.45Å; I11-M25 HydrophobicContact CD1-SD 3.92Å; I11-M25 HydrophobicContact CG2-SD 4.15Å; F13-M25 HydrophobicContact CD2-CE 4.49Å; F13-M25 HydrophobicContact CD2-SD 3.96Å; F13-M25 HydrophobicContact CE2-SD 4.16Å; F13-M25 HydrophobicContact CG-CE 4.44Å; F13-M25 HydrophobicContact CG-SD 4.42Å; P17-M25 HydrophobicContact CB-CE 4.08Å; Q21-M25 WeakPolarHBondContact O-CG 3.47Å; Q21-M25 PolarHBondContact O-N 3.31Å; F22-M25 PolarHBondContact O-N 3.45Å; M25-K27 PolarHBondContact O-N 2.83Å; M25-V28 PolarHBondContact O-N 2.98Å; M25-L29 WeakPolarHBondContact O-CG 3.27Å; M25-L29 PolarHBondContact O-N 3.21Å; M25-C51 HydrophobicContact CG-CB 3.81Å; M25-C51 HydrophobicContact SD-CB 4.48Å; M25-A55 HydrophobicContact CB-CB 4.06Å; M25-A55 HydrophobicContact CG-CB 4.05Å
26T97Very high93.9Very high33 Ų3347.8 Ų47.820%0.20224%0.235CC..Hα-helixtrans-60.2-44.6175.6-54.20000112.1I6 F22 E23 Y24 L29 L30I6-T26 HydrophobicContact CG2-CG2 4.14Å; I6-T26 WeakPolarHBondContact CG2-OG1 3.32Å; F22-T26 WeakPolarHBondContact O-CB 3.48Å; F22-T26 PolarHBondContact O-N 3.09Å; F22-T26 PolarHBondContact O-OG1 3.11Å; E23-T26 WeakPolarHBondContact O-CB 3.47Å; E23-T26 PolarHBondContact O-N 3.06Å; Y24-T26 VanDerWaalsContact C-N 3.31Å; Y24-T26 PolarHBondContact O-N 3.07Å; T26-L29 PolarHBondContact O-N 3.27Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 PolarHBondContact O-N 3.27Å
27K97.4Very high94.3Very high71 Ų7143 Ų4331%0.30921%0.213SC..Hα-helixtrans-71.3-32.4178.2-62.2-53.1-173.3-170.20113.2E23 Y24 M25 L30 S31 L40 I542 L544E23-K27 WeakPolarHBondContact O-CG 3.21Å; E23-K27 PolarHBondContact O-N 3.38Å; Y24-K27 PolarHBondContact O-N 3.38Å; M25-K27 PolarHBondContact O-N 2.83Å; K27-L30 HydrophobicContact CD-CD2 4.49Å; K27-S31 PolarHBondContact O-N 3.32Å; K27-S31 VanDerWaalsContact O-N 3.12Å; K27-L40 HydrophobicContact CB-CD2 3.7Å; K27-I542 HydrophobicContact CB-CG2 4.19Å; K27-I542 HydrophobicContact CD-CG2 4.35Å; K27-L544 HydrophobicContact CB-CD2 4.35Å; K27-L544 HydrophobicContact CG-CB 4.16Å; K27-L544 HydrophobicContact CG-CD1 4.07Å; K27-L544 HydrophobicContact CG-CD2 4.1Å; K27-L544 HydrophobicContact CG-CG 4.35Å
28V97.4Very high94.7Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-62.6-49.5170170.60000110.2Y24 M25 L30 S31 L32 L40 L52 A55Y24-V28 HydrophobicContact CD1-CG2 3.93Å; Y24-V28 HydrophobicContact CE1-CG2 3.64Å; Y24-V28 WeakPolarHBondContact O-CG2 3.25Å; Y24-V28 PolarHBondContact O-N 3.39Å; M25-V28 PolarHBondContact O-N 2.98Å; V28-L30 PolarHBondContact O-N 3.07Å; V28-S31 PolarHBondContact O-N 3.44Å; V28-L32 HydrophobicContact CG1-CD1 3.77Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CG 3.41Å; V28-L32 PolarHBondContact O-N 3.02Å; V28-L40 HydrophobicContact CG2-CD1 3.54Å; V28-L52 HydrophobicContact CG1-CD1 4.27Å; V28-L52 HydrophobicContact CG2-CD1 3.74Å; V28-A55 HydrophobicContact CB-CB 4.26Å; V28-A55 HydrophobicContact CG1-CB 3.92Å
29L96.9Very high95Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-63.5-38.8178.1-70.9-175.4000112.9I6 V9 I11 M25 T26 S31 L32 N33 A55 W59I6-L29 HydrophobicContact CB-CD1 3.73Å; I6-L29 HydrophobicContact CG2-CD1 3.85Å; V9-L29 HydrophobicContact CB-CD1 3.79Å; V9-L29 HydrophobicContact CB-CD2 4.38Å; V9-L29 HydrophobicContact CG1-CD1 4.26Å; V9-L29 HydrophobicContact CG1-CD2 4.18Å; V9-L29 HydrophobicContact CG2-CD1 3.88Å; V9-L29 HydrophobicContact CG2-CD2 4.07Å; I11-L29 HydrophobicContact CD1-CD1 4.09Å; M25-L29 WeakPolarHBondContact O-CG 3.27Å; M25-L29 PolarHBondContact O-N 3.21Å; T26-L29 PolarHBondContact O-N 3.27Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.42Å; L29-L32 PolarHBondContact O-N 2.93Å; L29-N33 VanDerWaalsContact O-CB 3.24Å; L29-N33 WeakPolarHBondContact O-CB 3.22Å; L29-N33 PolarHBondContact O-N 3.04Å; L29-N33 PolarHBondContact O-ND2 3.47Å; L29-A55 HydrophobicContact CD2-CB 4.21Å; L29-A55 WeakPolarHBondContact CD2-O 3.25Å; L29-A55 HydrophobicContact CG-CB 4.27Å; L29-W59 HydrophobicContact CD2-CB 3.8Å; L29-W59 HydrophobicContact CD2-CG 4.32Å
30L96.7Very high95.3Very high52 Ų5231.5 Ų31.527%0.27216%0.156SC..Hα-helixtrans-60-44.6174-175.166000111.5T26 K27 V28 N33 E34 I542T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 PolarHBondContact O-N 3.27Å; K27-L30 HydrophobicContact CD-CD2 4.49Å; V28-L30 PolarHBondContact O-N 3.07Å; L30-N33 PolarHBondContact O-N 3.49Å; L30-E34 HydrophobicContact CD1-CG 3.97Å; L30-E34 WeakPolarHBondContact O-CB 3.27Å; L30-E34 WeakPolarHBondContact O-CG 3.47Å; L30-E34 PolarHBondContact O-N 3.37Å; L30-I542 HydrophobicContact CB-CD1 4.32Å; L30-I542 HydrophobicContact CD2-CD1 4.13Å; L30-I542 HydrophobicContact CD2-CG1 4.09Å; L30-I542 HydrophobicContact CD2-CG2 4.42Å; L30-I542 HydrophobicContact CG-CD1 3.83Å; L30-I542 HydrophobicContact CG-CG1 4.35Å
31S96.6Very high95.3Very high0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-64.4-40.7177.1179.60000112.5K27 V28 L29 G35 K36 I520 I542K27-S31 PolarHBondContact O-N 3.32Å; K27-S31 VanDerWaalsContact O-N 3.12Å; V28-S31 PolarHBondContact O-N 3.44Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.42Å; S31-G35 WeakPolarHBondContact O-CA 3.45Å; S31-G35 PolarHBondContact O-N 2.91Å; S31-K36 PolarHBondContact O-N 3.5Å; S31-K36 PolarHBondContact OG-O 3.44Å; S31-I520 WeakPolarHBondContact OG-CD1 3.42Å; S31-I520 WeakPolarHBondContact OG-CG1 3.28Å; S31-I542 VanDerWaalsContact CA-CD1 3.44Å
32L95.5Very high95.1Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-71.6-36.9176.3-69.9172.8000112.6V28 L29 W59 I112 T253 R517V28-L32 HydrophobicContact CG1-CD1 3.77Å; V28-L32 HydrophobicContact CG1-CG 4.41Å; V28-L32 WeakPolarHBondContact O-CG 3.41Å; V28-L32 PolarHBondContact O-N 3.02Å; L29-L32 PolarHBondContact O-N 2.93Å; L32-W59 HydrophobicContact CB-CD2 3.75Å; L32-W59 HydrophobicContact CB-CE3 4.36Å; L32-W59 HydrophobicContact CB-CG 3.84Å; L32-W59 HydrophobicContact CB-CZ2 4.3Å; L32-W59 HydrophobicContact CD1-CB 3.93Å; L32-W59 HydrophobicContact CD1-CD2 4.21Å; L32-W59 HydrophobicContact CD1-CE3 4.44Å; L32-W59 HydrophobicContact CD1-CG 3.97Å; L32-W59 HydrophobicContact CD2-CE3 4.31Å; L32-W59 HydrophobicContact CG-CD2 4.39Å; L32-W59 HydrophobicContact CG-CG 4.49Å; L32-W59 WeakPolarHBondContact O-CZ2 3.37Å; L32-I112 HydrophobicContact CD1-CD1 4.43Å; L32-I112 HydrophobicContact CD2-CD1 3.94Å; L32-T253 HydrophobicContact CD2-CG2 3.81Å; L32-R517 PolarHBondContact O-NH1 2.96Å; L32-R517 PolarHBondContact O-NH2 3.04Å
33N93.2Very high94.5Very high57 Ų5726.9 Ų26.931%0.30514%0.135SC..Hα-helixtrans-69.5-52.9176.8-74.7-27.4000111L29 L30 G35 W59 R517L29-N33 VanDerWaalsContact O-CB 3.24Å; L29-N33 WeakPolarHBondContact O-CB 3.22Å; L29-N33 PolarHBondContact O-N 3.04Å; L29-N33 PolarHBondContact O-ND2 3.47Å; L30-N33 PolarHBondContact O-N 3.49Å; N33-G35 PolarHBondContact O-N 3.32Å; N33-W59 VanDerWaalsContact OD1-CD1 3.31Å; N33-W59 PolarHBondContact OD1-NE1 3.46Å; N33-R517 PolarHBondContact O-NH2 3.04Å
34E93.8Very high93.8Very high93 Ų9323.3 Ų23.344%0.43512%0.12SC..Hα-helixtrans-79.1-14.7-174.8-60.7-163.7113.200114.6L30 K36L30-E34 HydrophobicContact CD1-CG 3.97Å; L30-E34 WeakPolarHBondContact O-CB 3.27Å; L30-E34 WeakPolarHBondContact O-CG 3.47Å; L30-E34 PolarHBondContact O-N 3.37Å; E34-K36 VanDerWaalsContact C-N 3.32Å; E34-K36 HydrophobicContact CB-CB 4.42Å; E34-K36 HydrophobicContact CB-CD 4.05Å; E34-K36 HydrophobicContact CB-CG 3.9Å; E34-K36 IonicContact OE1-NZ 3.22Å; E34-K36 PolarHBondContact OE1-NZ 3.27Å; E34-K36 WeakPolarHBondContact OE2-CD 3.4Å; E34-K36 VanDerWaalsContact OE2-CE 3.3Å; E34-K36 WeakPolarHBondContact OE2-CE 3.48Å; E34-K36 IonicContact OE2-NZ 3.98Å; E34-K36 PolarHBondContact OE2-NZ 2.94Å
35G93.5Very high92.7Very high22 Ų2224.7 Ų24.723%0.22714%0.135CC..THydrogen-bonded Turntrans65.235.4-173.300000112.6S31 N33 R517S31-G35 WeakPolarHBondContact O-CA 3.45Å; S31-G35 PolarHBondContact O-N 2.91Å; N33-G35 PolarHBondContact O-N 3.32Å; G35-R517 VanDerWaalsContact O-O 3.06Å
36K95.4Very high91.9Very high80 Ų8024.8 Ų24.835%0.34814%0.135SC..  trans-112.3145.4-178.8-64.5-178.4-160.7154.30111.5S31 E34 C518 P541 I542S31-K36 PolarHBondContact O-N 3.5Å; S31-K36 PolarHBondContact OG-O 3.44Å; E34-K36 VanDerWaalsContact C-N 3.32Å; E34-K36 HydrophobicContact CB-CB 4.42Å; E34-K36 HydrophobicContact CB-CD 4.05Å; E34-K36 HydrophobicContact CB-CG 3.9Å; E34-K36 IonicContact OE1-NZ 3.22Å; E34-K36 PolarHBondContact OE1-NZ 3.27Å; E34-K36 WeakPolarHBondContact OE2-CD 3.4Å; E34-K36 VanDerWaalsContact OE2-CE 3.3Å; E34-K36 WeakPolarHBondContact OE2-CE 3.48Å; E34-K36 IonicContact OE2-NZ 3.98Å; E34-K36 PolarHBondContact OE2-NZ 2.94Å; K36-C518 WeakPolarHBondContact O-CB 2.83Å; K36-P541 HydrophobicContact CB-CG 3.89Å; K36-P541 HydrophobicContact CD-CG 4.04Å; K36-P541 HydrophobicContact CG-CG 4.41Å; K36-I542 HydrophobicContact CB-CD1 4Å
37H97.2Very high91.3Very high41 Ų4124.6 Ų24.619%0.1914%0.14CC..  trans-61144.1177.1-46.5-80.7000111.7I519 F540 P541H37-I519 CarbonylContact C-O 3.45Å; H37-I519 WeakPolarHBondContact CA-O 3.38Å; H37-I519 WeakPolarHBondContact CB-O 3.19Å; H37-I519 PolarHBondContact ND1-N 3.36Å; H37-I519 VanDerWaalsContact ND1-N 3.11Å; H37-F540 HydrophobicContact CB-CD1 3.68Å; H37-F540 HydrophobicContact CB-CE1 3.95Å; H37-P541 WeakPolarHBondContact O-CD 3.45Å
38A97.4Very high90.9Very high0 Ų022 Ų220%013%0.129CC..EExtended strand (participates in β ladder)trans-132.3148.5178.900000113.2L40 I519 I520 L521 F540 I542A38-L40 HydrophobicContact CB-CD2 4.27Å; A38-L40 HydrophobicContact CB-CG 4.35Å; A38-I519 PolarHBondContact N-O 3.49Å; A38-I520 HydrophobicContact CB-CG1 4.32Å; A38-I520 HydrophobicContact CB-CG2 4.36Å; A38-I520 CarbonylContact O-C 3.56Å; A38-I520 WeakPolarHBondContact O-CA 3.43Å; A38-L521 PolarHBondContact O-N 3.36Å; A38-F540 VanDerWaalsContact C-CD1 3.46Å; A38-F540 WeakPolarHBondContact O-CD1 3.4Å; A38-I542 CarbonylContact C-O 3.47Å; A38-I542 WeakPolarHBondContact CA-O 3.35Å; A38-I542 HydrophobicContact CB-CB 3.83Å; A38-I542 HydrophobicContact CB-CG2 3.81Å
39I95.9Very high90.6Very high4 Ų423.5 Ų23.52%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-125.5113171.1-168.9160.3000109.7L521 L526 V529 I532 F540 I542 T543 L544I39-L521 HydrophobicContact CD1-CD1 4.28Å; I39-L521 HydrophobicContact CG1-CB 4.21Å; I39-L526 HydrophobicContact CD1-CD1 4.28Å; I39-L526 HydrophobicContact CG1-CD1 3.76Å; I39-V529 HydrophobicContact CD1-CB 3.96Å; I39-V529 HydrophobicContact CD1-CG1 4.42Å; I39-I532 HydrophobicContact CD1-CB 4.49Å; I39-F540 HydrophobicContact CB-CB 3.95Å; I39-F540 HydrophobicContact CB-CD1 4.07Å; I39-F540 HydrophobicContact CB-CD2 4.18Å; I39-F540 HydrophobicContact CB-CG 3.79Å; I39-F540 HydrophobicContact CD1-CD2 4.28Å; I39-F540 HydrophobicContact CD1-CE2 4.44Å; I39-F540 HydrophobicContact CG2-CB 3.54Å; I39-F540 HydrophobicContact CG2-CD2 4.31Å; I39-F540 HydrophobicContact CG2-CG 3.92Å; I39-I542 PolarHBondContact N-O 3.06Å; I39-T543 HydrophobicContact CG2-CG2 4.08Å; I39-T543 WeakPolarHBondContact O-CA 3.39Å; I39-L544 PolarHBondContact O-N 2.88Å
40L95Very high90.4Very high0 Ų024.7 Ų24.70%014%0.144CC..EExtended strand (participates in β ladder)trans-118.397.2-167.6-53.7179.6000110.3Y24 K27 V28 A38 I520 L521 T522 L544Y24-L40 HydrophobicContact CE1-CD1 4.29Å; Y24-L40 HydrophobicContact CE2-CB 3.85Å; Y24-L40 HydrophobicContact CE2-CD1 4.32Å; K27-L40 HydrophobicContact CB-CD2 3.7Å; V28-L40 HydrophobicContact CG2-CD1 3.54Å; A38-L40 HydrophobicContact CB-CD2 4.27Å; A38-L40 HydrophobicContact CB-CG 4.35Å; L40-I520 HydrophobicContact CD1-CG2 3.83Å; L40-I520 HydrophobicContact CG-CG2 4.29Å; L40-L521 PolarHBondContact N-O 2.76Å; L40-T522 WeakPolarHBondContact O-CA 3.5Å; L40-T522 WeakPolarHBondContact O-CB 3.41Å; L40-T522 PolarHBondContact O-OG1 2.87Å; L40-L544 HydrophobicContact CB-CB 4.49Å; L40-L544 HydrophobicContact CD2-CB 3.61Å; L40-L544 HydrophobicContact CD2-CD2 4.4Å
41E90.4Very high90.3Very high8 Ų822.2 Ų22.24%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-91126.7174.1-160.3-89.5-179.100109.4L526 V529 L544 R545 N546E41-L526 HydrophobicContact CB-CB 4.25Å; E41-L526 HydrophobicContact CG-CB 3.85Å; E41-V529 HydrophobicContact CB-CG1 4.4Å; E41-L544 PolarHBondContact N-O 3.07Å; E41-R545 WeakPolarHBondContact O-CA 3.4Å; E41-N546 PolarHBondContact O-N 3.17Å
42S87.7Confident90.2Very high1 Ų122.2 Ų22.21%0.00713%0.131CC..  trans-153.3125.6178.7-173.10000110.4T46 K48 S523 G524 N546S42-T46 WeakPolarHBondContact OG-CB 3.21Å; S42-T46 PolarHBondContact OG-OG1 3.2Å; S42-K48 WeakPolarHBondContact O-CD 3.38Å; S42-S523 PolarHBondContact N-O 2.97Å; S42-G524 WeakPolarHBondContact O-CA 3.41Å; S42-N546 WeakPolarHBondContact OG-CB 3.42Å; S42-N546 PolarHBondContact OG-ND2 3.03Å
43P82.1Confident90.2Very high2 Ų222.3 Ų22.31%0.01313%0.132CC..  trans-56.1164.3-173.6-30.136.4000115.8T46 N546 H548P43-T46 HydrophobicContact CB-CG2 4.25Å; P43-T46 WeakPolarHBondContact O-CB 3.14Å; P43-T46 VanDerWaalsContact O-CG2 3.3Å; P43-T46 WeakPolarHBondContact O-CG2 3.21Å; P43-T46 PolarHBondContact O-N 3.06Å; P43-T46 PolarHBondContact O-OG1 3.27Å; P43-N546 WeakPolarHBondContact CD-O 3.46Å; P43-H548 HydrophobicContact CB-CB 4.32Å; P43-H548 WeakPolarHBondContact CB-CD2 3.36Å; P43-H548 HydrophobicContact CG-CB 4.2Å
44T77.7Confident90.3Very high24 Ų2419.6 Ų19.615%0.14712%0.117CC..THydrogen-bonded Turntrans-55.7151.8171.538.50000111.9T46 H548 G751T44-T46 PolarHBondContact O-N 2.71Å; T44-H548 PolarHBondContact O-CE1 3.3Å; T44-H548 PolarHBondContact O-NE2 2.91Å; T44-G751 WeakPolarHBondContact CG2-O 3.49Å; T44-G751 PolarHBondContact OG1-O 3.34Å
45G74.1Confident90.3Very high31 Ų3115.1 Ų15.132%0.3210%0.096SC..THydrogen-bonded Turntrans72.1-10.5-176.700000116.8G47 R755G45-G47 PolarHBondContact O-N 3.21Å; G45-G47 VanDerWaalsContact O-N 3.15Å; G45-R755 WeakPolarHBondContact CA-O 3.26Å
46T78.3Confident90.4Very high2 Ų214.1 Ų14.11%0.0129%0.085CC..SBendtrans-70.4-3.5176.559.40000114.4Q21 S42 P43 T44 V549Q21-T46 WeakPolarHBondContact CG-O 3.47Å; Q21-T46 PolarHBondContact NE2-O 3.02Å; S42-T46 WeakPolarHBondContact OG-CB 3.21Å; S42-T46 PolarHBondContact OG-OG1 3.2Å; P43-T46 HydrophobicContact CB-CG2 4.25Å; P43-T46 WeakPolarHBondContact O-CB 3.14Å; P43-T46 VanDerWaalsContact O-CG2 3.3Å; P43-T46 WeakPolarHBondContact O-CG2 3.21Å; P43-T46 PolarHBondContact O-N 3.06Å; P43-T46 PolarHBondContact O-OG1 3.27Å; T44-T46 PolarHBondContact O-N 2.71Å; T46-V549 HydrophobicContact CG2-CB 4.31Å; T46-V549 HydrophobicContact CG2-CG1 4.47Å
47G85Confident90.4Very high29 Ų2910.3 Ų10.330%0.2997%0.069SC..  trans7622.7179.500000115.1G45 T49 L50 C51G45-G47 PolarHBondContact O-N 3.21Å; G45-G47 VanDerWaalsContact O-N 3.15Å; G47-T49 VanDerWaalsContact C-N 3.31Å; G47-T49 PolarHBondContact O-N 2.69Å; G47-T49 VanDerWaalsContact O-N 3.12Å; G47-L50 WeakPolarHBondContact O-CB 3.38Å; G47-L50 PolarHBondContact O-N 2.95Å; G47-C51 PolarHBondContact O-N 2.68Å; G47-C51 VanDerWaalsContact O-N 3.13Å; G47-C51 PolarHBondContact O-SG 3.34Å
48K89.3Confident90.2Very high17 Ų178.6 Ų8.67%0.0746%0.062CC..Hα-helixtrans-37.1-55.6-176.5-26.2-172.5-48.6-66.80114Y24 S42 L50 C51 L52 D257 E258Y24-K48 HydrophobicContact CE2-CB 4.44Å; S42-K48 WeakPolarHBondContact O-CD 3.38Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.19Å; K48-C51 PolarHBondContact O-N 3.49Å; K48-L52 WeakPolarHBondContact O-CB 3.5Å; K48-L52 PolarHBondContact O-N 3.01Å; K48-D257 IonicContact NZ-OD1 3.17Å; K48-E258 IonicContact NZ-OE1 2.72Å; K48-E258 PolarHBondContact NZ-OE1 3.03Å
49T91.2Very high90.1Very high31 Ų318.7 Ų8.719%0.196%0.062CC..Hα-helixtrans-59.8-40.1-176.1-550000112.5G47 L53 Y114 A125G47-T49 VanDerWaalsContact C-N 3.31Å; G47-T49 PolarHBondContact O-N 2.69Å; G47-T49 VanDerWaalsContact O-N 3.12Å; T49-L53 HydrophobicContact CG2-CD1 3.89Å; T49-L53 WeakPolarHBondContact O-CB 3.39Å; T49-L53 VanDerWaalsContact O-CG 3.22Å; T49-L53 WeakPolarHBondContact O-CG 3.49Å; T49-L53 PolarHBondContact O-N 2.98Å; T49-Y114 WeakPolarHBondContact CG2-OH 3.47Å; T49-A125 HydrophobicContact CG2-CB 3.66Å
50L92.2Very high89.9Confident24 Ų249.1 Ų9.113%0.1266%0.064CC..Hα-helixtrans-72.3-44.5-179.5-162.166000110.7F13 P14 Y15 G47 K48 L52 L53 C54 T132F13-L50 HydrophobicContact CE2-CB 4.32Å; F13-L50 HydrophobicContact CE2-CD2 4.2Å; F13-L50 HydrophobicContact CE2-CG 3.92Å; F13-L50 HydrophobicContact CZ-CD2 4.17Å; F13-L50 HydrophobicContact CZ-CG 4.32Å; P14-L50 HydrophobicContact CG-CD1 4.31Å; P14-L50 HydrophobicContact CG-CD2 3.66Å; P14-L50 HydrophobicContact CG-CG 4.16Å; Y15-L50 HydrophobicContact CD2-CD2 4.06Å; Y15-L50 HydrophobicContact CE2-CD2 3.87Å; G47-L50 WeakPolarHBondContact O-CB 3.38Å; G47-L50 PolarHBondContact O-N 2.95Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.19Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 3.28Å; L50-L53 PolarHBondContact O-N 3.22Å; L50-C54 VanDerWaalsContact O-CB 3.32Å; L50-C54 WeakPolarHBondContact O-CB 3.19Å; L50-C54 PolarHBondContact O-N 3.38Å; L50-C54 PolarHBondContact O-SG 3.43Å; L50-T132 HydrophobicContact CD1-CG2 3.9Å
51C94.4Very high89.6Confident1 Ų110.2 Ų10.21%0.0077%0.07CC..Hα-helixtrans-59.7-46.9175.8-55.10000111Y24 M25 G47 K48 A55Y24-C51 HydrophobicContact CD1-CB 3.63Å; Y24-C51 HydrophobicContact CE1-CB 4.2Å; Y24-C51 HydrophobicContact CG-CB 4.33Å; M25-C51 HydrophobicContact CG-CB 3.81Å; M25-C51 HydrophobicContact SD-CB 4.48Å; G47-C51 PolarHBondContact O-N 2.68Å; G47-C51 VanDerWaalsContact O-N 3.13Å; G47-C51 PolarHBondContact O-SG 3.34Å; K48-C51 PolarHBondContact O-N 3.49Å; C51-A55 VanDerWaalsContact O-CB 3.27Å; C51-A55 WeakPolarHBondContact O-CB 3.45Å; C51-A55 PolarHBondContact O-N 3.21Å; C51-A55 VanDerWaalsContact O-N 3.09Å
52L95.2Very high89.6Confident0 Ų013.1 Ų13.10%08%0.083CC..Hα-helixtrans-59.3-48.9177.8-17861.6000112.2Y24 V28 K48 L50 S56 Y114 I255 T522Y24-L52 HydrophobicContact CE1-CB 3.89Å; Y24-L52 HydrophobicContact CE1-CD1 4.32Å; V28-L52 HydrophobicContact CG1-CD1 4.27Å; V28-L52 HydrophobicContact CG2-CD1 3.74Å; K48-L52 WeakPolarHBondContact O-CB 3.5Å; K48-L52 PolarHBondContact O-N 3.01Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 3.28Å; L52-S56 WeakPolarHBondContact O-CB 3.41Å; L52-S56 PolarHBondContact O-N 2.72Å; L52-S56 PolarHBondContact O-OG 2.96Å; L52-Y114 HydrophobicContact CD2-CD2 4.44Å; L52-Y114 HydrophobicContact CD2-CE2 3.59Å; L52-Y114 HydrophobicContact CG-CE2 4.25Å; L52-I255 HydrophobicContact CD1-CD1 4.14Å; L52-I255 HydrophobicContact CD1-CG2 4.04Å; L52-I255 HydrophobicContact CD2-CG2 3.79Å; L52-I255 HydrophobicContact CG-CD1 4.49Å; L52-I255 HydrophobicContact CG-CG2 4.31Å; L52-T522 HydrophobicContact CD2-CG2 4Å
53L94.8Very high89.5Confident1 Ų115 Ų151%0.0059%0.091CC..Hα-helixtrans-72.7-45.4-176.4-72171000112.2T49 L50 S56 L57 Y114 A125 L129 L228 F230T49-L53 HydrophobicContact CG2-CD1 3.89Å; T49-L53 WeakPolarHBondContact O-CB 3.39Å; T49-L53 VanDerWaalsContact O-CG 3.22Å; T49-L53 WeakPolarHBondContact O-CG 3.49Å; T49-L53 PolarHBondContact O-N 2.98Å; L50-L53 PolarHBondContact O-N 3.22Å; L53-S56 PolarHBondContact O-N 3.11Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 WeakPolarHBondContact O-CD1 3.47Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 3.42Å; L53-Y114 HydrophobicContact CD1-CE2 4.42Å; L53-Y114 HydrophobicContact CD2-CD2 3.52Å; L53-Y114 HydrophobicContact CD2-CE2 3.68Å; L53-Y114 HydrophobicContact CD2-CG 4.43Å; L53-Y114 HydrophobicContact CG-CD2 4.32Å; L53-Y114 HydrophobicContact CG-CE2 3.95Å; L53-A125 HydrophobicContact CD1-CB 4.37Å; L53-L129 HydrophobicContact CB-CD1 4.23Å; L53-L129 HydrophobicContact CD1-CB 4.22Å; L53-L129 HydrophobicContact CD1-CD2 4.38Å; L53-L228 HydrophobicContact CD2-CD2 4.03Å; L53-F230 HydrophobicContact CD1-CZ 4.23Å; L53-F230 HydrophobicContact CD2-CE1 4.35Å; L53-F230 HydrophobicContact CD2-CZ 3.69Å
54C95Very high89.6Confident0 Ų016.8 Ų16.80%011%0.107CC..Hα-helixtrans-61.4-46.8178-67.60000111.4I11 F13 L50 L57 A58 Y134I11-C54 HydrophobicContact CG2-CB 3.81Å; F13-C54 HydrophobicContact CD2-CB 3.92Å; F13-C54 HydrophobicContact CE2-CB 4.39Å; L50-C54 VanDerWaalsContact O-CB 3.32Å; L50-C54 WeakPolarHBondContact O-CB 3.19Å; L50-C54 PolarHBondContact O-N 3.38Å; L50-C54 PolarHBondContact O-SG 3.43Å; C54-L57 PolarHBondContact O-N 3.48Å; C54-A58 WeakPolarHBondContact O-CB 3.39Å; C54-A58 PolarHBondContact O-N 3.35Å; C54-Y134 HydrophobicContact CB-CE2 4.01Å
55A95.5Very high89.8Confident0 Ų019.6 Ų19.60%012%0.121CC..Hα-helixtrans-64.1-41.3176.500000112.6I11 M25 V28 L29 C51 W59I11-A55 HydrophobicContact CD1-CB 4.25Å; M25-A55 HydrophobicContact CB-CB 4.06Å; M25-A55 HydrophobicContact CG-CB 4.05Å; V28-A55 HydrophobicContact CB-CB 4.26Å; V28-A55 HydrophobicContact CG1-CB 3.92Å; L29-A55 HydrophobicContact CD2-CB 4.21Å; L29-A55 WeakPolarHBondContact CD2-O 3.25Å; L29-A55 HydrophobicContact CG-CB 4.27Å; C51-A55 VanDerWaalsContact O-CB 3.27Å; C51-A55 WeakPolarHBondContact O-CB 3.45Å; C51-A55 PolarHBondContact O-N 3.21Å; C51-A55 VanDerWaalsContact O-N 3.09Å; A55-W59 VanDerWaalsContact O-CB 3.31Å; A55-W59 WeakPolarHBondContact O-CB 3.29Å; A55-W59 PolarHBondContact O-N 3.4Å
56S95.5Very high90.2Very high0 Ų020.1 Ų20.10%012%0.119CC..Hα-helixtrans-64.8-39.2178-62.20000113L52 L53 L60L52-S56 WeakPolarHBondContact O-CB 3.41Å; L52-S56 PolarHBondContact O-N 2.72Å; L52-S56 PolarHBondContact O-OG 2.96Å; L53-S56 PolarHBondContact O-N 3.11Å; S56-L60 WeakPolarHBondContact O-CG 3.24Å; S56-L60 PolarHBondContact O-N 3.45Å; S56-L60 VanDerWaalsContact O-N 3.08Å
57L93.9Very high90Very high1 Ų123 Ų231%0.00514%0.137CC..Hα-helixtrans-76-44.1179.2-73.4158.8000111.3L53 C54 W59 L60 D61 L129 Y134 R137 L228L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 WeakPolarHBondContact O-CD1 3.47Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 3.42Å; C54-L57 PolarHBondContact O-N 3.48Å; L57-W59 PolarHBondContact O-N 2.95Å; L57-L60 HydrophobicContact CD2-CD1 4.36Å; L57-L60 PolarHBondContact O-N 2.95Å; L57-L60 VanDerWaalsContact O-N 3.11Å; L57-D61 WeakPolarHBondContact O-CB 3.36Å; L57-D61 PolarHBondContact O-N 3.23Å; L57-L129 HydrophobicContact CD1-CD1 3.6Å; L57-L129 HydrophobicContact CD1-CD2 3.87Å; L57-L129 HydrophobicContact CD1-CG 4.35Å; L57-Y134 HydrophobicContact CB-CD1 3.79Å; L57-Y134 HydrophobicContact CB-CE1 4.15Å; L57-Y134 HydrophobicContact CB-CG 4.07Å; L57-Y134 HydrophobicContact CD1-CG 4.23Å; L57-R137 HydrophobicContact CD2-CB 4.3Å; L57-R137 HydrophobicContact CD2-CG 4.41Å; L57-L228 HydrophobicContact CD1-CD2 4Å; L57-L228 HydrophobicContact CD2-CB 4.34Å; L57-L228 HydrophobicContact CD2-CD2 3.85Å; L57-L228 HydrophobicContact CG-CD2 4.05Å
58A93.9Very high89.4Confident4 Ų427.7 Ų27.73%0.03315%0.151CC..Hα-helixtrans-55.6-37.6171.600000112.6V9 E10 I11 C54 D61 K62V9-A58 HydrophobicContact CG1-CB 3.6Å; E10-A58 WeakPolarHBondContact O-CB 3.33Å; I11-A58 HydrophobicContact CB-CB 4.32Å; I11-A58 HydrophobicContact CG1-CB 3.91Å; I11-A58 HydrophobicContact CG2-CB 4.41Å; C54-A58 WeakPolarHBondContact O-CB 3.39Å; C54-A58 PolarHBondContact O-N 3.35Å; A58-D61 PolarHBondContact O-N 3.1Å; A58-K62 PolarHBondContact O-N 3.08Å
59W94.3Very high88.8Confident3 Ų332.8 Ų32.81%0.01118%0.178CC..Hα-helixtrans-66.8-47.1173.9-174.986.9000112.8L29 L32 N33 A55 L57 D61 K62 Q63 C110 I112L29-W59 HydrophobicContact CD2-CB 3.8Å; L29-W59 HydrophobicContact CD2-CG 4.32Å; L32-W59 HydrophobicContact CB-CD2 3.75Å; L32-W59 HydrophobicContact CB-CE3 4.36Å; L32-W59 HydrophobicContact CB-CG 3.84Å; L32-W59 HydrophobicContact CB-CZ2 4.3Å; L32-W59 HydrophobicContact CD1-CB 3.93Å; L32-W59 HydrophobicContact CD1-CD2 4.21Å; L32-W59 HydrophobicContact CD1-CE3 4.44Å; L32-W59 HydrophobicContact CD1-CG 3.97Å; L32-W59 HydrophobicContact CD2-CE3 4.31Å; L32-W59 HydrophobicContact CG-CD2 4.39Å; L32-W59 HydrophobicContact CG-CG 4.49Å; L32-W59 WeakPolarHBondContact O-CZ2 3.37Å; N33-W59 VanDerWaalsContact OD1-CD1 3.31Å; N33-W59 PolarHBondContact OD1-NE1 3.46Å; A55-W59 VanDerWaalsContact O-CB 3.31Å; A55-W59 WeakPolarHBondContact O-CB 3.29Å; A55-W59 PolarHBondContact O-N 3.4Å; L57-W59 PolarHBondContact O-N 2.95Å; W59-D61 PolarHBondContact O-N 3.27Å; W59-K62 PolarHBondContact O-N 2.95Å; W59-Q63 HydrophobicContact CD2-CG 4.08Å; W59-Q63 HydrophobicContact CE3-CG 4.14Å; W59-Q63 HydrophobicContact CH2-CG 3.89Å; W59-Q63 HydrophobicContact CZ2-CG 3.82Å; W59-Q63 HydrophobicContact CZ3-CG 4.06Å; W59-Q63 WeakPolarHBondContact O-CG 3.43Å; W59-Q63 PolarHBondContact O-N 3.48Å; W59-C110 HydrophobicContact CH2-CB 4.25Å; W59-C110 HydrophobicContact CZ3-CB 4.4Å; W59-I112 HydrophobicContact CE3-CD1 4.37Å
60L91.8Very high87.8Confident12 Ų1234.3 Ų34.36%0.06319%0.185CC..Hα-helixtrans-59.1-38.5174.6-76.5170.9000111.8S56 L57 Q63 A64 C110 I112 L228S56-L60 WeakPolarHBondContact O-CG 3.24Å; S56-L60 PolarHBondContact O-N 3.45Å; S56-L60 VanDerWaalsContact O-N 3.08Å; L57-L60 HydrophobicContact CD2-CD1 4.36Å; L57-L60 PolarHBondContact O-N 2.95Å; L57-L60 VanDerWaalsContact O-N 3.11Å; L60-Q63 PolarHBondContact O-N 2.92Å; L60-A64 WeakPolarHBondContact O-CB 3.4Å; L60-A64 PolarHBondContact O-N 3.04Å; L60-C110 WeakPolarHBondContact CD2-O 3.42Å; L60-I112 HydrophobicContact CD1-CB 4.44Å; L60-I112 HydrophobicContact CD1-CD1 3.77Å; L60-I112 HydrophobicContact CD1-CG1 4.06Å; L60-I112 HydrophobicContact CD2-CD1 4.21Å; L60-I112 HydrophobicContact CD2-CG1 4.21Å; L60-I112 HydrophobicContact CG-CD1 3.79Å; L60-I112 HydrophobicContact CG-CG1 4.26Å; L60-L228 HydrophobicContact CD1-CB 4.47Å
61D89.1Confident86.7Confident24 Ų2436.3 Ų36.313%0.12820%0.2CC..Hα-helixtrans-65.5-44.5179.2-69.17.5000111L57 A58 W59 Q63 A64 N65 R137L57-D61 WeakPolarHBondContact O-CB 3.36Å; L57-D61 PolarHBondContact O-N 3.23Å; A58-D61 PolarHBondContact O-N 3.1Å; W59-D61 PolarHBondContact O-N 3.27Å; D61-Q63 PolarHBondContact O-N 3.49Å; D61-A64 PolarHBondContact O-N 3.04Å; D61-N65 WeakPolarHBondContact O-CB 3.38Å; D61-N65 PolarHBondContact O-N 2.85Å; D61-N65 PolarHBondContact O-ND2 3.09Å; D61-N65 PolarHBondContact O-OD1 2.97Å; D61-R137 IonicContact OD1-CZ 2.94Å; D61-R137 IonicContact OD1-NE 2.72Å; D61-R137 PolarHBondContact OD1-NE 3.28Å; D61-R137 IonicContact OD1-NH1 3.56Å; D61-R137 IonicContact OD1-NH2 3.21Å; D61-R137 PolarHBondContact OD1-NH2 2.76Å; D61-R137 IonicContact OD2-CZ 3.12Å; D61-R137 IonicContact OD2-NE 2.7Å; D61-R137 PolarHBondContact OD2-NE 2.81Å; D61-R137 IonicContact OD2-NH2 2.71Å; D61-R137 PolarHBondContact OD2-NH2 3.42Å
62K89.8Confident85.6Confident69 Ų6938.7 Ų38.730%0.322%0.22SC..Hα-helixtrans-57.6-47.4171.1-179.9177.9178.7171.10111.6D7 G8 V9 A58 W59 N65 S66D7-K62 PolarHBondContact O-NZ 3.3Å; G8-K62 VanDerWaalsContact C-NZ 3.3Å; G8-K62 WeakPolarHBondContact O-CD 3.46Å; G8-K62 VanDerWaalsContact O-CE 3.27Å; G8-K62 WeakPolarHBondContact O-CE 3.46Å; G8-K62 PolarHBondContact O-NZ 3.19Å; V9-K62 HydrophobicContact CB-CD 4.45Å; V9-K62 HydrophobicContact CG2-CD 3.69Å; A58-K62 PolarHBondContact O-N 3.08Å; W59-K62 PolarHBondContact O-N 2.95Å; K62-N65 PolarHBondContact O-N 2.78Å; K62-S66 PolarHBondContact O-N 3Å; K62-S66 PolarHBondContact O-OG 2.9Å
63Q87.2Confident84.2Confident40 Ų4042.6 Ų42.619%0.18724%0.244CC..Hα-helixtrans-65-41.9-179.3-65-64.9-0.200112.6W59 L60 D61 N65 S66 V67 N107W59-Q63 HydrophobicContact CD2-CG 4.08Å; W59-Q63 HydrophobicContact CE3-CG 4.14Å; W59-Q63 HydrophobicContact CH2-CG 3.89Å; W59-Q63 HydrophobicContact CZ2-CG 3.82Å; W59-Q63 HydrophobicContact CZ3-CG 4.06Å; W59-Q63 WeakPolarHBondContact O-CG 3.43Å; W59-Q63 PolarHBondContact O-N 3.48Å; L60-Q63 PolarHBondContact O-N 2.92Å; D61-Q63 PolarHBondContact O-N 3.49Å; Q63-N65 PolarHBondContact O-N 2.96Å; Q63-S66 WeakPolarHBondContact O-CB 3.13Å; Q63-S66 PolarHBondContact O-N 3.24Å; Q63-V67 WeakPolarHBondContact O-CG2 3.08Å; Q63-V67 PolarHBondContact O-N 3.3Å; Q63-N107 PolarHBondContact OE1-ND2 3.42Å
64A83.2Confident82.6Confident40 Ų4045.4 Ų45.433%0.33126%0.259SS..Hα-helixtrans-60.4-45.7175.700000111.5L60 D61 S66 V67 Q68L60-A64 WeakPolarHBondContact O-CB 3.4Å; L60-A64 PolarHBondContact O-N 3.04Å; D61-A64 PolarHBondContact O-N 3.04Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.03Å; A64-V67 PolarHBondContact O-N 3.02Å; A64-Q68 WeakPolarHBondContact O-CG 3.29Å; A64-Q68 PolarHBondContact O-N 2.8Å
65N83.1Confident80.9Confident83 Ų8347.7 Ų47.744%0.44428%0.278SS..Hα-helixtrans-63.8-38.9176.6-66.4-9.4000111.8D61 K62 Q63 Q68 L69D61-N65 WeakPolarHBondContact O-CB 3.38Å; D61-N65 PolarHBondContact O-N 2.85Å; D61-N65 PolarHBondContact O-ND2 3.09Å; D61-N65 PolarHBondContact O-OD1 2.97Å; K62-N65 PolarHBondContact O-N 2.78Å; Q63-N65 PolarHBondContact O-N 2.96Å; N65-Q68 PolarHBondContact O-N 2.83Å; N65-L69 WeakPolarHBondContact O-CG 3.33Å; N65-L69 PolarHBondContact O-N 3.45Å
66S80.9Confident79.2Confident41 Ų4155.2 Ų55.229%0.28731%0.311SS..Hα-helixtrans-60.8-43.6174.8-65.30000112.6K62 Q63 A64 L69 I70K62-S66 PolarHBondContact O-N 3Å; K62-S66 PolarHBondContact O-OG 2.9Å; Q63-S66 WeakPolarHBondContact O-CB 3.13Å; Q63-S66 PolarHBondContact O-N 3.24Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.03Å; S66-L69 PolarHBondContact O-N 3.48Å; S66-I70 VanDerWaalsContact O-CG1 3.31Å; S66-I70 WeakPolarHBondContact O-CG1 3.27Å; S66-I70 PolarHBondContact O-N 2.91Å; S66-I70 VanDerWaalsContact O-N 3.07Å
67V73.8Confident77.3Confident64 Ų6461 Ų6139%0.38834%0.338SS..Hα-helixtrans-67.1-38.6177.5174.10000111.7Q63 A64 I70 S71 N107Q63-V67 WeakPolarHBondContact O-CG2 3.08Å; Q63-V67 PolarHBondContact O-N 3.3Å; A64-V67 PolarHBondContact O-N 3.02Å; V67-I70 PolarHBondContact O-N 3.16Å; V67-S71 PolarHBondContact O-N 2.83Å; V67-S71 PolarHBondContact O-OG 3.3Å; V67-N107 HydrophobicContact CG2-CB 3.97Å
68Q74.1Confident75.4Confident127 Ų12768.4 Ų68.459%0.59337%0.372SS*.Hα-helixtrans-64.2-40.1174.3-71.8-179.86.700112.4A64 N65 S71 A72A64-Q68 WeakPolarHBondContact O-CG 3.29Å; A64-Q68 PolarHBondContact O-N 2.8Å; N65-Q68 PolarHBondContact O-N 2.83Å; Q68-S71 PolarHBondContact O-OG 3.3Å; Q68-A72 VanDerWaalsContact O-CB 3.23Å; Q68-A72 WeakPolarHBondContact O-CB 3.31Å; Q68-A72 PolarHBondContact O-N 3.06Å
69L75.4Confident73.5Confident124 Ų12475.1 Ų75.165%0.64941%0.408SS*.Hα-helixtrans-63.9-47176.1-76.9165000112N65 S66 A72 T73N65-L69 WeakPolarHBondContact O-CG 3.33Å; N65-L69 PolarHBondContact O-N 3.45Å; S66-L69 PolarHBondContact O-N 3.48Å; L69-A72 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-N 2.85Å; L69-T73 PolarHBondContact O-OG1 3.25Å; L69-T73 VanDerWaalsContact O-OG1 3.11Å
70I71.5Confident71.6Confident63 Ų6380 Ų8032%0.32344%0.438SS..Hα-helixtrans-60.6-50.1179.3-67.5164000110.8S66 V67 A72 T73 D74S66-I70 VanDerWaalsContact O-CG1 3.31Å; S66-I70 WeakPolarHBondContact O-CG1 3.27Å; S66-I70 PolarHBondContact O-N 2.91Å; S66-I70 VanDerWaalsContact O-N 3.07Å; V67-I70 PolarHBondContact O-N 3.16Å; I70-A72 VanDerWaalsContact C-N 3.31Å; I70-A72 PolarHBondContact O-N 2.93Å; I70-T73 WeakPolarHBondContact CA-OG1 3.41Å; I70-T73 PolarHBondContact O-N 3.15Å; I70-T73 VanDerWaalsContact O-N 3.09Å; I70-T73 PolarHBondContact O-OG1 2.75Å; I70-D74 PolarHBondContact O-N 2.7Å
71S69.3Low69.4Low65 Ų6586.6 Ų86.646%0.45547%0.47SS..Hα-helixtrans-65.6-31.5179.2510000113.2V67 Q68 D74 A75V67-S71 PolarHBondContact O-N 2.83Å; V67-S71 PolarHBondContact O-OG 3.3Å; Q68-S71 PolarHBondContact O-OG 3.3Å; S71-D74 PolarHBondContact O-N 3.17Å; S71-A75 WeakPolarHBondContact O-CB 3.5Å; S71-A75 PolarHBondContact O-N 2.92Å
72A70.4Confident67.3Low51 Ų5189.2 Ų89.242%0.42150%0.503SS..Hα-helixtrans-69.6-31.3171.500000113.3Q68 L69 I70 K76Q68-A72 VanDerWaalsContact O-CB 3.23Å; Q68-A72 WeakPolarHBondContact O-CB 3.31Å; Q68-A72 PolarHBondContact O-N 3.06Å; L69-A72 PolarHBondContact O-N 3.37Å; I70-A72 VanDerWaalsContact C-N 3.31Å; I70-A72 PolarHBondContact O-N 2.93Å; A72-K76 WeakPolarHBondContact O-CG 3.32Å; A72-K76 PolarHBondContact O-N 2.99Å
73T66.5Low65.1Low82 Ų8294.9 Ų94.950%0.50353%0.528SS..Hα-helixtrans-71.5-41.5170.235.20000112.7L69 I70 A75 K76 H77L69-T73 PolarHBondContact O-N 2.85Å; L69-T73 PolarHBondContact O-OG1 3.25Å; L69-T73 VanDerWaalsContact O-OG1 3.11Å; I70-T73 WeakPolarHBondContact CA-OG1 3.41Å; I70-T73 PolarHBondContact O-N 3.15Å; I70-T73 VanDerWaalsContact O-N 3.09Å; I70-T73 PolarHBondContact O-OG1 2.75Å; T73-A75 PolarHBondContact O-N 3.24Å; T73-K76 PolarHBondContact O-N 3.08Å; T73-K76 VanDerWaalsContact O-N 3.15Å; T73-H77 PolarHBondContact O-N 2.66Å
74D60.6Low62.8Low60 Ų60104.4 Ų104.432%0.32156%0.562SS.*Hα-helixtrans-60.2-45.1175.8-76.2-35.6000111.8I70 S71 K76 H77 Q78I70-D74 PolarHBondContact O-N 2.7Å; S71-D74 PolarHBondContact O-N 3.17Å; D74-K76 VanDerWaalsContact C-N 3.26Å; D74-K76 PolarHBondContact O-N 2.91Å; D74-H77 PolarHBondContact O-N 3.25Å; D74-H77 VanDerWaalsContact O-N 3.12Å; D74-Q78 PolarHBondContact O-N 3.2Å
75A59.6Low60.8Low49 Ų49108.1 Ų108.141%0.40558%0.583SS.*Hα-helixtrans-61.8-31.6176.600000113.1S71 T73 N79S71-A75 WeakPolarHBondContact O-CB 3.5Å; S71-A75 PolarHBondContact O-N 2.92Å; T73-A75 PolarHBondContact O-N 3.24Å; A75-N79 PolarHBondContact O-N 3.03Å; A75-N79 PolarHBondContact O-ND2 2.89Å
76K59.3Low59.1Low157 Ų157108.9 Ų108.968%0.68359%0.591SS**Hα-helixtrans-75.2-36.2173.1-77.2178.4176.6178.90112.5A72 T73 D74 T80A72-K76 WeakPolarHBondContact O-CG 3.32Å; A72-K76 PolarHBondContact O-N 2.99Å; T73-K76 PolarHBondContact O-N 3.08Å; T73-K76 VanDerWaalsContact O-N 3.15Å; D74-K76 VanDerWaalsContact C-N 3.26Å; D74-K76 PolarHBondContact O-N 2.91Å; K76-T80 PolarHBondContact O-N 3.01Å; K76-T80 PolarHBondContact O-OG1 3.22Å
77H56.5Low57.7Low123 Ų123111.6 Ų111.657%0.56961%0.61SS**Hα-helixtrans-68.6-41.6176.5-102.3-38.3000112.5T73 D74 N79 T80 M81T73-H77 PolarHBondContact O-N 2.66Å; D74-H77 PolarHBondContact O-N 3.25Å; D74-H77 VanDerWaalsContact O-N 3.12Å; H77-N79 VanDerWaalsContact C-N 3.35Å; H77-N79 PolarHBondContact O-N 2.84Å; H77-T80 WeakPolarHBondContact CA-OG1 3.45Å; H77-T80 PolarHBondContact O-N 3.04Å; H77-T80 VanDerWaalsContact O-N 3.14Å; H77-T80 PolarHBondContact O-OG1 2.87Å; H77-T80 VanDerWaalsContact O-OG1 3.11Å; H77-M81 PolarHBondContact O-N 3.46Å
78Q53.5Low56.5Low155 Ų155114.9 Ų114.972%0.72463%0.625SS**Hα-helixtrans-61.9-41.9175.2-68.6-176.39.800111.9D74 T80 M81D74-Q78 PolarHBondContact O-N 3.2Å; Q78-T80 VanDerWaalsContact C-N 3.26Å; Q78-T80 PolarHBondContact O-N 2.98Å; Q78-M81 PolarHBondContact O-N 2.76Å
79N53.2Low55.2Low145 Ų145113.7 Ų113.778%0.77562%0.623SS**Hα-helixtrans-70.7-13.4176.3-79.2-54.5000114.7A75 H77A75-N79 PolarHBondContact O-N 3.03Å; A75-N79 PolarHBondContact O-ND2 2.89Å; H77-N79 VanDerWaalsContact C-N 3.35Å; H77-N79 PolarHBondContact O-N 2.84Å
80T54.4Low53.8Low105 Ų105112 Ų11264%0.64462%0.618SS**Hα-helixtrans-98.5-21.117438.30000113.6K76 H77 Q78 G82K76-T80 PolarHBondContact O-N 3.01Å; K76-T80 PolarHBondContact O-OG1 3.22Å; H77-T80 WeakPolarHBondContact CA-OG1 3.45Å; H77-T80 PolarHBondContact O-N 3.04Å; H77-T80 VanDerWaalsContact O-N 3.14Å; H77-T80 PolarHBondContact O-OG1 2.87Å; H77-T80 VanDerWaalsContact O-OG1 3.11Å; Q78-T80 VanDerWaalsContact C-N 3.26Å; Q78-T80 PolarHBondContact O-N 2.98Å; T80-G82 PolarHBondContact O-N 3.46Å
81M45.5Very low52.6Low151 Ų151115.5 Ų115.574%0.74464%0.637SS**  trans-84.353.1173.9-74.6-155.7163.100113.8H77 Q78 K83H77-M81 PolarHBondContact O-N 3.46Å; Q78-M81 PolarHBondContact O-N 2.76Å; M81-K83 PolarHBondContact O-N 3.27Å; M81-K83 VanDerWaalsContact O-N 3.1Å
82G45.9Very low51.5Low80 Ų80117.8 Ų117.883%0.82564%0.644SS**  trans-72.113.2169.100000115.1T80T80-G82 PolarHBondContact O-N 3.46Å
83K43.4Very low50.4Low187 Ų187118.2 Ų118.281%0.81365%0.647SS**SBendtrans-121.7131178.2-72.7-175.7176.7-179.90109.7M81M81-K83 PolarHBondContact O-N 3.27Å; M81-K83 VanDerWaalsContact O-N 3.1Å
84R39.4Very low49.4Very low240 Ų240118.8 Ų118.891%0.90665%0.647SS**PPolyproline II helixtrans-55.4134.8172.1-72.7179.8173173.7-3.2109.7
85P40.9Very low49Very low119 Ų119119 Ų11977%0.77365%0.653SS**PPolyproline II helixtrans-64.3137.6171.327.8-33.5000109.8
86T47.4Very low48.5Very low99 Ų99122.1 Ų122.161%0.60766%0.659SS**PPolyproline II helixtrans-73.2161.2163.248.70000109.8D88T86-D88 PolarHBondContact O-N 3.14Å
87S50.9Low47.9Very low97 Ų97121.1 Ų121.168%0.67866%0.657SS**G310 helixtrans-57.4-23.3-170.837.10000115.3N89S87-N89 PolarHBondContact O-N 3.39Å
88D48.3Very low47.6Very low134 Ų134120.2 Ų120.272%0.71766%0.656SS**G310 helixtrans-9813.4-155.6-38.9-35.5000113.5T86T86-D88 PolarHBondContact O-N 3.14Å
89N46.6Very low47.5Very low102 Ų102118.8 Ų118.855%0.54565%0.648SS.*G310 helixtrans-131.612.3-173.7-103.5-50.8000114.9S87 D91S87-N89 PolarHBondContact O-N 3.39Å; N89-D91 PolarHBondContact O-N 3.37Å
90V47.3Very low47.1Very low89 Ų89114.3 Ų114.354%0.53962%0.624SS.*Hα-helixtrans-61.4-41.8-172.6-179.90000112.6N92 A93 L94V90-N92 PolarHBondContact O-N 3.11Å; V90-A93 PolarHBondContact O-N 3.47Å; V90-L94 PolarHBondContact O-N 3.12Å
91D46.1Very low46.6Very low135 Ų135111.6 Ų111.672%0.72261%0.612SS**Hα-helixtrans-66.6-34.7-172.2-59.5-41.8000113.6N89 S95N89-D91 PolarHBondContact O-N 3.37Å; D91-S95 PolarHBondContact O-N 2.77Å; D91-S95 VanDerWaalsContact O-N 3.1Å
92N47Very low46.5Very low114 Ų114107.8 Ų107.861%0.6160%0.6SS**Hα-helixtrans-74.9-33.9177.2-82.2-34.4000112.7V90 S95 H96V90-N92 PolarHBondContact O-N 3.11Å; N92-S95 PolarHBondContact O-OG 3.31Å; N92-S95 VanDerWaalsContact O-OG 3.11Å; N92-H96 PolarHBondContact O-N 2.83Å
93A46.8Very low46.2Very low59 Ų59107.5 Ų107.549%0.48858%0.579SS.*Hα-helixtrans-66.2-41.5173.200000111V90 H96 Q97V90-A93 PolarHBondContact O-N 3.47Å; A93-H96 PolarHBondContact O-N 3.33Å; A93-Q97 PolarHBondContact O-N 3.29Å
94L45.8Very low45.9Very low94 Ų94100.8 Ų100.849%0.49256%0.563SS.*Hα-helixtrans-67.6-37.7-179.6-148.476.7000112.4V90 N98V90-L94 PolarHBondContact O-N 3.12Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 2.94Å; L94-N98 PolarHBondContact O-ND2 2.81Å
95S50.3Low45.9Very low66 Ų6697.2 Ų97.246%0.46255%0.554SS.*Hα-helixtrans-67.6-41.1176.7720000112.1D91 N92 N98 F99D91-S95 PolarHBondContact O-N 2.77Å; D91-S95 VanDerWaalsContact O-N 3.1Å; N92-S95 PolarHBondContact O-OG 3.31Å; N92-S95 VanDerWaalsContact O-OG 3.11Å; S95-N98 PolarHBondContact O-N 2.74Å; S95-F99 PolarHBondContact O-N 3.23Å
96H50.3Low45.9Very low114 Ų11495.8 Ų95.853%0.52854%0.543SS..Hα-helixtrans-69.1-40.7178.7-14875.8000112.3N92 A93 N98 F99 L100N92-H96 PolarHBondContact O-N 2.83Å; A93-H96 PolarHBondContact O-N 3.33Å; H96-N98 PolarHBondContact O-N 2.86Å; H96-F99 PolarHBondContact O-N 3.23Å; H96-L100 WeakPolarHBondContact O-CG 3.34Å; H96-L100 PolarHBondContact O-N 3.43Å
97Q46.4Very low45.8Very low135 Ų13593.2 Ų93.263%0.63153%0.525SS*.Hα-helixtrans-62-40.7172.1-78.3-171.8-28.300112.4A93 L100 A101A93-Q97 PolarHBondContact O-N 3.29Å; Q97-L100 PolarHBondContact O-N 2.91Å; Q97-A101 WeakPolarHBondContact O-CB 3.41Å; Q97-A101 PolarHBondContact O-N 3.43Å
98N50Low45.7Very low105 Ų10594.8 Ų94.856%0.56153%0.526SS*.Hα-helixtrans-67.3-34.2176-80-58.2000112.6L94 S95 H96 S102L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 2.94Å; L94-N98 PolarHBondContact O-ND2 2.81Å; S95-N98 PolarHBondContact O-N 2.74Å; H96-N98 PolarHBondContact O-N 2.86Å; N98-S102 WeakPolarHBondContact O-CB 3.21Å; N98-S102 PolarHBondContact O-N 3.13Å
99F50.7Low46.5Very low124 Ų12491 Ų9154%0.54452%0.519SS..Hα-helixtrans-67.8-44.8174.1-176.9-105.4000112.3S95 H96 S102 L103S95-F99 PolarHBondContact O-N 3.23Å; H96-F99 PolarHBondContact O-N 3.23Å; F99-S102 VanDerWaalsContact O-CB 3.32Å; F99-S102 WeakPolarHBondContact O-CB 3.37Å; F99-S102 PolarHBondContact O-N 2.99Å; F99-L103 HydrophobicContact CD1-CD1 4Å; F99-L103 HydrophobicContact CE1-CD1 3.58Å; F99-L103 HydrophobicContact CZ-CD1 4Å; F99-L103 PolarHBondContact O-N 3.38Å
100L44.9Very low48Very low52 Ų5287 Ų8727%0.27250%0.498SS..Hα-helixtrans-66.8-38.7175.2-70169.2000112H96 Q97 S102 L103 G104H96-L100 WeakPolarHBondContact O-CG 3.34Å; H96-L100 PolarHBondContact O-N 3.43Å; Q97-L100 PolarHBondContact O-N 2.91Å; L100-S102 VanDerWaalsContact C-N 3.29Å; L100-S102 PolarHBondContact O-N 2.9Å; L100-L103 PolarHBondContact O-N 3.31Å; L100-G104 PolarHBondContact O-N 3.26Å
101A44.5Very low50Low48 Ų4885.2 Ų85.240%0.39748%0.483SS..Hα-helixtrans-66.4-29.6172.900000112.9Q97 K105Q97-A101 WeakPolarHBondContact O-CB 3.41Å; Q97-A101 PolarHBondContact O-N 3.43Å; A101-K105 WeakPolarHBondContact O-CB 3.49Å; A101-K105 VanDerWaalsContact O-CG 3.29Å; A101-K105 WeakPolarHBondContact O-CG 3.35Å; A101-K105 PolarHBondContact O-N 3.47Å
102S43.9Very low52.4Low70 Ų7078.8 Ų78.849%0.4945%0.449SS..Hα-helixtrans-66.2-50.9171.2-174.90000111.1N98 F99 L100 G104 K105 V106N98-S102 WeakPolarHBondContact O-CB 3.21Å; N98-S102 PolarHBondContact O-N 3.13Å; F99-S102 VanDerWaalsContact O-CB 3.32Å; F99-S102 WeakPolarHBondContact O-CB 3.37Å; F99-S102 PolarHBondContact O-N 2.99Å; L100-S102 VanDerWaalsContact C-N 3.29Å; L100-S102 PolarHBondContact O-N 2.9Å; S102-G104 PolarHBondContact O-N 3.32Å; S102-K105 PolarHBondContact O-N 2.89Å; S102-V106 PolarHBondContact O-N 2.89Å; S102-V106 VanDerWaalsContact O-N 3.13Å
103L39Very low54.7Low75 Ų7573.4 Ų73.439%0.39342%0.42SS..Hα-helixtrans-59.7-45175.8-72.9167.1000112F99 L100 K105 V106 N107F99-L103 HydrophobicContact CD1-CD1 4Å; F99-L103 HydrophobicContact CE1-CD1 3.58Å; F99-L103 HydrophobicContact CZ-CD1 4Å; F99-L103 PolarHBondContact O-N 3.38Å; L100-L103 PolarHBondContact O-N 3.31Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.44Å; L103-V106 PolarHBondContact O-N 3.02Å; L103-N107 PolarHBondContact O-N 3.27Å
104G37.6Very low57.1Low45 Ų4570.6 Ų70.646%0.46440%0.397SS..Hα-helixtrans-62.6-35.117700000113.6L100 S102 N108L100-G104 PolarHBondContact O-N 3.26Å; S102-G104 PolarHBondContact O-N 3.32Å; G104-N108 WeakPolarHBondContact O-CB 3.34Å; G104-N108 PolarHBondContact O-N 3.24Å
105K38.6Very low59.4Low166 Ų16666.1 Ų66.172%0.72237%0.373SS*.Hα-helixtrans-70-37.3174.4-81.1177.1177.8-179.90113A101 S102 L103A101-K105 WeakPolarHBondContact O-CB 3.49Å; A101-K105 VanDerWaalsContact O-CG 3.29Å; A101-K105 WeakPolarHBondContact O-CG 3.35Å; A101-K105 PolarHBondContact O-N 3.47Å; S102-K105 PolarHBondContact O-N 2.89Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.44Å
106V42.2Very low61.4Low88 Ų8863 Ų6353%0.53335%0.352SS..Hα-helixtrans-69.2-42.9176.8175.10000111.2S102 L103 N108 N251S102-V106 PolarHBondContact O-N 2.89Å; S102-V106 VanDerWaalsContact O-N 3.13Å; L103-V106 PolarHBondContact O-N 3.02Å; V106-N108 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 3.13Å; V106-N251 PolarHBondContact O-ND2 3.42Å; V106-N251 VanDerWaalsContact O-ND2 3.13Å
107N44.7Very low63.1Low46 Ų4659.4 Ų59.425%0.24633%0.334CS..THydrogen-bonded Turntrans-9018.2-178.6-92.115.7000114.6Q63 V67 L103 G109Q63-N107 PolarHBondContact OE1-ND2 3.42Å; V67-N107 HydrophobicContact CG2-CB 3.97Å; L103-N107 PolarHBondContact O-N 3.27Å; N107-G109 VanDerWaalsContact C-N 3.31Å; N107-G109 PolarHBondContact O-N 3.13Å
108N49Very low64.7Low130 Ų13055.6 Ų55.670%0.69532%0.32SS*.SBendtrans-72.782.4178.5-16123.7000111.4G104 V106 C110G104-N108 WeakPolarHBondContact O-CB 3.34Å; G104-N108 PolarHBondContact O-N 3.24Å; V106-N108 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 3.13Å; N108-C110 PolarHBondContact O-N 2.84Å
109G64.4Low66.2Low55 Ų5552.6 Ų52.657%0.56730%0.302SS*.  trans62.741.2167.500000116.2N107 K111N107-G109 VanDerWaalsContact C-N 3.31Å; N107-G109 PolarHBondContact O-N 3.13Å; G109-K111 WeakPolarHBondContact O-CG 2.95Å; G109-K111 PolarHBondContact O-N 3.04Å
110C78.5Confident67.5Low16 Ų1650.2 Ų50.211%0.10830%0.301CS..  trans-50.3115.6178.7177.50000111.6W59 L60 N108 R517W59-C110 HydrophobicContact CH2-CB 4.25Å; W59-C110 HydrophobicContact CZ3-CB 4.4Å; L60-C110 WeakPolarHBondContact CD2-O 3.42Å; N108-C110 PolarHBondContact O-N 2.84Å; C110-R517 VanDerWaalsContact SG-CD 3.59Å
111K89.5Confident69.3Low52 Ų5248.8 Ų48.823%0.22629%0.293CS..  trans-95.6157.1178.8-60.9-157.4175-144.60112G109 K223 T224 S226 S227 I229 T252 T253G109-K111 WeakPolarHBondContact O-CG 2.95Å; G109-K111 PolarHBondContact O-N 3.04Å; K111-K223 PolarHBondContact NZ-O 3.09Å; K111-T224 PolarHBondContact NZ-O 3.43Å; K111-S226 PolarHBondContact NZ-O 2.85Å; K111-S227 WeakPolarHBondContact CA-O 3.28Å; K111-I229 HydrophobicContact CD-CD1 4.12Å; K111-T252 HydrophobicContact CB-CG2 4.1Å; K111-T252 WeakPolarHBondContact O-CA 3.45Å; K111-T253 PolarHBondContact O-N 2.92Å
112I95.2Very high71.5Confident0 Ų046.6 Ų46.60%027%0.274CS..EExtended strand (participates in β ladder)trans-119.2128.1169.7-58.3-175.8000108.5L32 W59 L60 S227 L228 I229 T253 I255L32-I112 HydrophobicContact CD1-CD1 4.43Å; L32-I112 HydrophobicContact CD2-CD1 3.94Å; W59-I112 HydrophobicContact CE3-CD1 4.37Å; L60-I112 HydrophobicContact CD1-CB 4.44Å; L60-I112 HydrophobicContact CD1-CD1 3.77Å; L60-I112 HydrophobicContact CD1-CG1 4.06Å; L60-I112 HydrophobicContact CD2-CD1 4.21Å; L60-I112 HydrophobicContact CD2-CG1 4.21Å; L60-I112 HydrophobicContact CG-CD1 3.79Å; L60-I112 HydrophobicContact CG-CG1 4.26Å; I112-S227 PolarHBondContact N-O 2.97Å; I112-L228 HydrophobicContact CB-CD1 3.9Å; I112-L228 HydrophobicContact CG2-CD1 3.69Å; I112-L228 WeakPolarHBondContact O-CA 3.39Å; I112-I229 PolarHBondContact O-N 2.73Å; I112-T253 CarbonylContact C-O 3.6Å; I112-T253 WeakPolarHBondContact CA-O 3.46Å; I112-I255 HydrophobicContact CG2-CD1 3.47Å; I112-I255 VanDerWaalsContact CG2-CD1 3.47Å; I112-I255 HydrophobicContact CG2-CG1 4.05Å
113I96Very high73.5Confident1 Ų144 Ų441%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-103.5120.1169.3-68.1172.7000108.4I229 M231 V236 I247 L249 T252 T253 I255I113-I229 CarbonylContact C-O 3.42Å; I113-I229 WeakPolarHBondContact CA-O 3.34Å; I113-I229 HydrophobicContact CG1-CB 4.34Å; I113-I229 HydrophobicContact CG1-CD1 4.44Å; I113-M231 HydrophobicContact CD1-CE 3.9Å; I113-M231 HydrophobicContact CD1-SD 4.48Å; I113-M231 HydrophobicContact CG1-CE 4.06Å; I113-M231 HydrophobicContact CG2-CE 3.87Å; I113-M231 HydrophobicContact CG2-CG 3.78Å; I113-M231 HydrophobicContact CG2-SD 3.87Å; I113-V236 HydrophobicContact CG2-CG2 3.78Å; I113-I247 HydrophobicContact CD1-CG2 4.21Å; I113-L249 HydrophobicContact CD1-CD2 3.5Å; I113-L249 VanDerWaalsContact CD1-CD2 3.5Å; I113-T252 HydrophobicContact CB-CG2 4.46Å; I113-T252 HydrophobicContact CD1-CG2 3.74Å; I113-T252 HydrophobicContact CG1-CG2 3.77Å; I113-T253 PolarHBondContact N-O 3.08Å; I113-I255 PolarHBondContact O-N 3.22Å
114Y96.7Very high75.7Confident0 Ų045.2 Ų45.20%026%0.261CS..EExtended strand (participates in β ladder)trans-91.8108.7169.3-165-77.5000109.3T49 L52 L53 L122 A125 I229 F230 M231 D257T49-Y114 WeakPolarHBondContact CG2-OH 3.47Å; L52-Y114 HydrophobicContact CD2-CD2 4.44Å; L52-Y114 HydrophobicContact CD2-CE2 3.59Å; L52-Y114 HydrophobicContact CG-CE2 4.25Å; L53-Y114 HydrophobicContact CD1-CE2 4.42Å; L53-Y114 HydrophobicContact CD2-CD2 3.52Å; L53-Y114 HydrophobicContact CD2-CE2 3.68Å; L53-Y114 HydrophobicContact CD2-CG 4.43Å; L53-Y114 HydrophobicContact CG-CD2 4.32Å; L53-Y114 HydrophobicContact CG-CE2 3.95Å; Y114-L122 HydrophobicContact CD1-CD2 4.11Å; Y114-A125 HydrophobicContact CE1-CB 4.06Å; Y114-I229 PolarHBondContact N-O 3.34Å; Y114-F230 AromaticContact CD1-CD1 3.58Å; Y114-F230 HydrophobicContact CD1-CD1 3.58Å; Y114-F230 AromaticContact CD1-CE1 3.53Å; Y114-F230 HydrophobicContact CD1-CE1 3.53Å; Y114-F230 HydrophobicContact CD2-CE1 4.16Å; Y114-F230 HydrophobicContact CD2-CZ 4.48Å; Y114-F230 HydrophobicContact CE1-CD1 4.36Å; Y114-F230 HydrophobicContact CE1-CE1 4.05Å; Y114-F230 AromaticContact CG-CD1 3.85Å; Y114-F230 HydrophobicContact CG-CD1 3.85Å; Y114-F230 AromaticContact CG-CE1 3.59Å; Y114-F230 HydrophobicContact CG-CE1 3.59Å; Y114-F230 HydrophobicContact CG-CZ 4.19Å; Y114-F230 WeakPolarHBondContact O-CA 3.48Å; Y114-M231 PolarHBondContact O-N 3.04Å; Y114-D257 HydrophobicContact CE1-CB 3.92Å; Y114-D257 WeakPolarHBondContact OH-CB 3.45Å; Y114-D257 VanDerWaalsContact OH-CG 3.28Å; Y114-D257 PolarHBondContact OH-OD2 3.08Å
115A95.9Very high78.2Confident0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-102.6134.3177.800000111.2M231 Y233 V236 I255 F256 D257A115-M231 VanDerWaalsContact CA-O 3.3Å; A115-M231 WeakPolarHBondContact CA-O 3.42Å; A115-Y233 HydrophobicContact CB-CD1 3.88Å; A115-Y233 HydrophobicContact CB-CE1 4.22Å; A115-V236 HydrophobicContact CB-CG2 3.99Å; A115-I255 WeakPolarHBondContact CA-O 3.44Å; A115-I255 VanDerWaalsContact CB-O 3.28Å; A115-I255 WeakPolarHBondContact CB-O 3.36Å; A115-I255 PolarHBondContact N-O 3.45Å; A115-F256 HydrophobicContact CB-CD1 3.77Å; A115-F256 HydrophobicContact CB-CE1 4.1Å; A115-F256 HydrophobicContact CB-CG 4.43Å; A115-D257 PolarHBondContact O-N 2.96Å
116S92.4Very high80.6Confident0 Ų035.4 Ų35.40%021%0.206CC..EExtended strand (participates in β ladder)trans-137168.4167.8-161.50000110T118 Q121 M231 P232 Y233S116-T118 PolarHBondContact O-N 3.21Å; S116-Q121 VanDerWaalsContact OG-CB 3.24Å; S116-Q121 WeakPolarHBondContact OG-CB 3.37Å; S116-M231 PolarHBondContact N-O 3.34Å; S116-P232 CarbonylContact O-C 3.58Å; S116-P232 WeakPolarHBondContact O-CA 3.27Å; S116-Y233 VanDerWaalsContact C-CE1 3.45Å; S116-Y233 WeakPolarHBondContact O-CD1 3.42Å; S116-Y233 PolarHBondContact O-N 2.88Å
117R84.6Confident82.8Confident40 Ų4035.4 Ų35.415%0.15120%0.203CC..SBendtrans-69-37.2-172.9-51.3175.3-176.6-174.9-6.3112.7Y233 E258 H260 N261 E673R117-Y233 HydrophobicContact CG-CD2 4.29Å; R117-Y233 HydrophobicContact CG-CE2 3.99Å; R117-E258 VanDerWaalsContact CZ-O 3.3Å; R117-E258 PolarHBondContact NE-O 3.17Å; R117-E258 PolarHBondContact NH2-O 3.09Å; R117-H260 PolarHBondContact NH1-NE2 3.29Å; R117-H260 VanDerWaalsContact NH1-NE2 3.15Å; R117-H260 PolarHBondContact NH2-CD2 3.32Å; R117-H260 PolarHBondContact NH2-CE1 2.87Å; R117-H260 PolarHBondContact NH2-ND1 3.48Å; R117-H260 PolarHBondContact NH2-NE2 3.21Å; R117-N261 PolarHBondContact NH1-ND2 3.11Å; R117-E673 IonicContact CZ-OE1 3.81Å; R117-E673 IonicContact NH1-OE1 3.96Å; R117-E673 PolarHBondContact NH1-OE1 3.44Å
118T80.7Confident84.8Confident55 Ų5535.3 Ų35.334%0.33721%0.208SC..SBendtrans-134.5149.7-170.465.10000111.7S116 S120 Q121 L122S116-T118 PolarHBondContact O-N 3.21Å; T118-S120 PolarHBondContact O-N 2.83Å; T118-S120 PolarHBondContact OG1-OG 3.32Å; T118-Q121 PolarHBondContact O-N 2.86Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.31Å; T118-Q121 PolarHBondContact OG1-N 3.07Å; T118-Q121 PolarHBondContact OG1-OE1 3.16Å; T118-L122 PolarHBondContact O-N 2.87Å
119H80.3Confident86.8Confident41 Ų4129.1 Ų29.119%0.1918%0.175CC..Hα-helixtrans-59-30.8176.1-67.5-93.5000113Q121 L122 A123 V142 Q147 I201 P232H119-Q121 VanDerWaalsContact C-N 3.31Å; H119-Q121 PolarHBondContact O-N 3.18Å; H119-L122 WeakPolarHBondContact O-CB 3.41Å; H119-L122 PolarHBondContact O-N 3.05Å; H119-A123 WeakPolarHBondContact O-CB 3.43Å; H119-A123 PolarHBondContact O-N 3.04Å; H119-V142 PolarHBondContact CE1-O 3.4Å; H119-Q147 PolarHBondContact CD2-NE2 3.13Å; H119-Q147 PolarHBondContact CE1-OE1 3.28Å; H119-Q147 PolarHBondContact NE2-NE2 2.94Å; H119-Q147 PolarHBondContact NE2-OE1 2.91Å; H119-I201 WeakPolarHBondContact ND1-CD1 3.49Å; H119-P232 WeakPolarHBondContact CE1-CG 3.5Å; H119-P232 WeakPolarHBondContact NE2-CG 3.3Å
120S78.6Confident88Confident74 Ų7429.5 Ų29.552%0.51716%0.161SC..Hα-helixtrans-63.1-32.3173.934.90000113.6T118 Q124T118-S120 PolarHBondContact O-N 2.83Å; T118-S120 PolarHBondContact OG1-OG 3.32Å; S120-Q124 VanDerWaalsContact O-CG 3.31Å; S120-Q124 WeakPolarHBondContact O-CG 3.37Å; S120-Q124 PolarHBondContact O-N 3.07Å; S120-Q124 VanDerWaalsContact O-N 3.11Å
121Q84.1Confident88.4Confident23 Ų2331.6 Ų31.611%0.10719%0.186CC..Hα-helixtrans-76.2-35.7173.2-68.9166-73.300111.6S116 T118 H119 Q124 A125S116-Q121 VanDerWaalsContact OG-CB 3.24Å; S116-Q121 WeakPolarHBondContact OG-CB 3.37Å; T118-Q121 PolarHBondContact O-N 2.86Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.31Å; T118-Q121 PolarHBondContact OG1-N 3.07Å; T118-Q121 PolarHBondContact OG1-OE1 3.16Å; H119-Q121 VanDerWaalsContact C-N 3.31Å; H119-Q121 PolarHBondContact O-N 3.18Å; Q121-Q124 PolarHBondContact O-N 2.88Å; Q121-A125 PolarHBondContact O-N 3Å
122L89Confident88.4Confident1 Ų129.5 Ų29.51%0.00518%0.177CC..Hα-helixtrans-61.2-46.5171.6-56.5173.8000110.4Y114 T118 H119 Q124 A125 I126 F230 M231 P232Y114-L122 HydrophobicContact CD1-CD2 4.11Å; T118-L122 PolarHBondContact O-N 2.87Å; H119-L122 WeakPolarHBondContact O-CB 3.41Å; H119-L122 PolarHBondContact O-N 3.05Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.45Å; L122-A125 PolarHBondContact O-N 3.44Å; L122-A125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CB-CD1 4.48Å; L122-I126 WeakPolarHBondContact O-CD1 3.35Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.35Å; L122-I126 PolarHBondContact O-N 2.93Å; L122-F230 HydrophobicContact CB-CD1 4.43Å; L122-F230 HydrophobicContact CD2-CB 4.31Å; L122-F230 HydrophobicContact CD2-CD1 4.02Å; L122-M231 VanDerWaalsContact CD1-C 3.49Å; L122-P232 HydrophobicContact CD1-CG 4.2Å
123A86Confident88.1Confident15 Ų1533 Ų3312%0.12420%0.198CC..Hα-helixtrans-60.8-37.7176.200000112.6H119 N127H119-A123 WeakPolarHBondContact O-CB 3.43Å; H119-A123 PolarHBondContact O-N 3.04Å; A123-N127 WeakPolarHBondContact O-CB 3.35Å; A123-N127 PolarHBondContact O-N 3.4Å; A123-N127 PolarHBondContact O-ND2 3.5Å
124Q85.4Confident87.8Confident101 Ų10133.2 Ų33.247%0.47220%0.199SC..Hα-helixtrans-62.5-45.8171.6-74.7168.9-0.200111.9S120 Q121 L122 N127 A128 G674S120-Q124 VanDerWaalsContact O-CG 3.31Å; S120-Q124 WeakPolarHBondContact O-CG 3.37Å; S120-Q124 PolarHBondContact O-N 3.07Å; S120-Q124 VanDerWaalsContact O-N 3.11Å; Q121-Q124 PolarHBondContact O-N 2.88Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.45Å; Q124-N127 PolarHBondContact O-N 3.29Å; Q124-A128 PolarHBondContact O-N 2.71Å; Q124-G674 PolarHBondContact NE2-O 2.71Å; Q124-G674 PolarHBondContact OE1-O 3.31Å
125A89.8Confident87.3Confident4 Ų434.9 Ų34.93%0.03321%0.211CC..Hα-helixtrans-64.8-38.6178.100000112.5T49 L53 Y114 Q121 L122 A128 L129 F230T49-A125 HydrophobicContact CG2-CB 3.66Å; L53-A125 HydrophobicContact CD1-CB 4.37Å; Y114-A125 HydrophobicContact CE1-CB 4.06Å; Q121-A125 PolarHBondContact O-N 3Å; L122-A125 PolarHBondContact O-N 3.44Å; L122-A125 VanDerWaalsContact O-N 3.13Å; A125-A128 PolarHBondContact O-N 2.82Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 3.49Å; A125-F230 HydrophobicContact CB-CE1 3.89Å
126I90.2Very high86.5Confident1 Ų145.2 Ų45.21%0.00525%0.25CC..Hα-helixtrans-67.5-43.7175.8-66.9155.5000111.1L122 A128 L129 K130 V141 I198 D200 F230L122-I126 HydrophobicContact CB-CD1 4.48Å; L122-I126 WeakPolarHBondContact O-CD1 3.35Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.35Å; L122-I126 PolarHBondContact O-N 2.93Å; I126-A128 VanDerWaalsContact C-N 3.32Å; I126-A128 PolarHBondContact O-N 3.07Å; I126-L129 CarbonylContact O-C 3.03Å; I126-L129 WeakPolarHBondContact O-CA 3.26Å; I126-L129 WeakPolarHBondContact O-CB 3.26Å; I126-L129 PolarHBondContact O-N 3.5Å; I126-K130 HydrophobicContact CG2-CD 4.24Å; I126-K130 HydrophobicContact CG2-CG 4.35Å; I126-K130 WeakPolarHBondContact O-CG 3.36Å; I126-K130 PolarHBondContact O-N 3.13Å; I126-V141 HydrophobicContact CD1-CB 4.5Å; I126-V141 HydrophobicContact CD1-CG1 4.19Å; I126-V141 HydrophobicContact CD1-CG2 3.46Å; I126-V141 VanDerWaalsContact CD1-CG2 3.46Å; I126-V141 HydrophobicContact CG1-CG2 4.46Å; I126-I198 HydrophobicContact CG2-CG2 3.68Å; I126-D200 HydrophobicContact CD1-CB 4.11Å; I126-D200 HydrophobicContact CG2-CB 4.07Å; I126-F230 HydrophobicContact CD1-CB 4.45Å; I126-F230 HydrophobicContact CD1-CD1 4.34Å; I126-F230 HydrophobicContact CD1-CG 4.27Å; I126-F230 HydrophobicContact CG1-CD1 4.03Å; I126-F230 HydrophobicContact CG1-CD2 4.34Å; I126-F230 HydrophobicContact CG1-CE1 4.07Å; I126-F230 HydrophobicContact CG1-CE2 4.38Å; I126-F230 HydrophobicContact CG1-CG 4.17Å; I126-F230 HydrophobicContact CG1-CZ 4.24Å
127N88.1Confident85.9Confident89 Ų8949.8 Ų49.848%0.47627%0.267SS..Hα-helixtrans-65.4-34.5176.7-77.7-55.1000112.5A123 Q124 L129A123-N127 WeakPolarHBondContact O-CB 3.35Å; A123-N127 PolarHBondContact O-N 3.4Å; A123-N127 PolarHBondContact O-ND2 3.5Å; Q124-N127 PolarHBondContact O-N 3.29Å; N127-L129 VanDerWaalsContact C-N 3.31Å; N127-L129 PolarHBondContact O-N 3.05Å
128A86.6Confident85.5Confident43 Ų4350 Ų5036%0.35528%0.275SS..Hα-helixtrans-64-36.2169.300000112.4Q124 A125 I126Q124-A128 PolarHBondContact O-N 2.71Å; A125-A128 PolarHBondContact O-N 2.82Å; I126-A128 VanDerWaalsContact C-N 3.32Å; I126-A128 PolarHBondContact O-N 3.07Å
129L90.8Very high85.7Confident0 Ų047.9 Ų47.90%026%0.262CS..Hα-helixtrans-76-35.4179.6-173.258.4000113.5L53 L57 A125 I126 N127 G131 T132 V139 I198 L228 F230L53-L129 HydrophobicContact CB-CD1 4.23Å; L53-L129 HydrophobicContact CD1-CB 4.22Å; L53-L129 HydrophobicContact CD1-CD2 4.38Å; L57-L129 HydrophobicContact CD1-CD1 3.6Å; L57-L129 HydrophobicContact CD1-CD2 3.87Å; L57-L129 HydrophobicContact CD1-CG 4.35Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 3.49Å; I126-L129 CarbonylContact O-C 3.03Å; I126-L129 WeakPolarHBondContact O-CA 3.26Å; I126-L129 WeakPolarHBondContact O-CB 3.26Å; I126-L129 PolarHBondContact O-N 3.5Å; N127-L129 VanDerWaalsContact C-N 3.31Å; N127-L129 PolarHBondContact O-N 3.05Å; L129-G131 PolarHBondContact O-N 3.22Å; L129-T132 PolarHBondContact O-N 2.82Å; L129-T132 PolarHBondContact O-OG1 2.71Å; L129-V139 HydrophobicContact CD2-CG2 4.38Å; L129-I198 HydrophobicContact CB-CD1 4.49Å; L129-I198 HydrophobicContact CD2-CD1 3.55Å; L129-I198 HydrophobicContact CG-CD1 3.63Å; L129-L228 HydrophobicContact CD2-CD2 4.43Å; L129-F230 HydrophobicContact CD2-CE2 4.42Å; L129-F230 HydrophobicContact CD2-CZ 4.29Å
130K89.7Confident86.1Confident63 Ų6346 Ų4627%0.27425%0.253SS..Hα-helixtrans-54.9-28.9172.6-78.4172.2170.5177.10112I126 T132 S135 I198 D200 D203I126-K130 HydrophobicContact CG2-CD 4.24Å; I126-K130 HydrophobicContact CG2-CG 4.35Å; I126-K130 WeakPolarHBondContact O-CG 3.36Å; I126-K130 PolarHBondContact O-N 3.13Å; K130-T132 VanDerWaalsContact C-N 3.27Å; K130-T132 PolarHBondContact O-N 2.67Å; K130-S135 WeakPolarHBondContact O-CB 3.35Å; K130-I198 WeakPolarHBondContact CE-O 3.39Å; K130-D200 IonicContact NZ-OD2 3.45Å; K130-D200 PolarHBondContact NZ-OD2 3.46Å; K130-D203 IonicContact NZ-OD1 2.83Å; K130-D203 IonicContact NZ-OD2 3.78Å; K130-D203 PolarHBondContact NZ-OD2 3.34Å
131G86Confident86.5Confident60 Ų6042.7 Ų42.762%0.61923%0.23SC*.THydrogen-bonded Turntrans-79.314.6174.800000116.5L129L129-G131 PolarHBondContact O-N 3.22Å
132T90.7Very high86.6Confident8 Ų841.8 Ų41.85%0.04923%0.226CC..SBendtrans-125169.2-176.773.50000112.4P14 L50 L129 K130 Y134 S135P14-T132 HydrophobicContact CG-CG2 4.21Å; L50-T132 HydrophobicContact CD1-CG2 3.9Å; L129-T132 PolarHBondContact O-N 2.82Å; L129-T132 PolarHBondContact O-OG1 2.71Å; K130-T132 VanDerWaalsContact C-N 3.27Å; K130-T132 PolarHBondContact O-N 2.67Å; T132-Y134 PolarHBondContact O-N 3.27Å; T132-Y134 PolarHBondContact OG1-N 3.35Å; T132-S135 WeakPolarHBondContact O-CB 3.41Å; T132-S135 PolarHBondContact O-N 2.91Å; T132-S135 VanDerWaalsContact O-N 3.15Å; T132-S135 PolarHBondContact O-OG 3.06Å
133V89.1Confident86.4Confident73 Ų7341.8 Ų41.844%0.44223%0.226SC..G310 helixtrans-62.1-23.9171.4-66.10000113.2M1 D12 S135M1-V133 HydrophobicContact CE-CG1 3.91Å; M1-V133 HydrophobicContact CE-CG2 4.15Å; M1-V133 HydrophobicContact SD-CG1 3.83Å; D12-V133 HydrophobicContact CB-CG2 3.38Å; V133-S135 PolarHBondContact O-N 2.93Å
134Y89.5Confident86.3Confident6 Ų641.4 Ų41.42%0.02422%0.223CC..G310 helixtrans-73.3-2.7177.6-53.8-73.6000113.4D12 C54 L57 T132 R136 R137D12-Y134 HydrophobicContact CB-CE2 4.3Å; D12-Y134 PolarHBondContact N-OH 3.36Å; C54-Y134 HydrophobicContact CB-CE2 4.01Å; L57-Y134 HydrophobicContact CB-CD1 3.79Å; L57-Y134 HydrophobicContact CB-CE1 4.15Å; L57-Y134 HydrophobicContact CB-CG 4.07Å; L57-Y134 HydrophobicContact CD1-CG 4.23Å; T132-Y134 PolarHBondContact O-N 3.27Å; T132-Y134 PolarHBondContact OG1-N 3.35Å; Y134-R136 PolarHBondContact O-N 2.74Å; Y134-R137 HydrophobicContact CD1-CG 4.48Å; Y134-R137 WeakPolarHBondContact O-CB 3.16Å; Y134-R137 PolarHBondContact O-N 3.35Å
135S85.5Confident86.3Confident35 Ų3537.7 Ų37.725%0.24520%0.204CC..G310 helixtrans-55.8-13174.853.40000115.8K130 T132 V133 G197 I198K130-S135 WeakPolarHBondContact O-CB 3.35Å; T132-S135 WeakPolarHBondContact O-CB 3.41Å; T132-S135 PolarHBondContact O-N 2.91Å; T132-S135 VanDerWaalsContact O-N 3.15Å; T132-S135 PolarHBondContact O-OG 3.06Å; V133-S135 PolarHBondContact O-N 2.93Å; S135-G197 WeakPolarHBondContact O-CA 3.43Å; S135-I198 WeakPolarHBondContact O-CG1 3.18Å; S135-I198 PolarHBondContact O-N 2.89Å; S135-I198 VanDerWaalsContact O-N 3.08Å
136R80.6Confident85.9Confident218 Ų21840.6 Ų40.682%0.82322%0.219SC*.G310 helixtrans-101.54174.3-62.7-178.5179.6166.40.1114.4Y134Y134-R136 PolarHBondContact O-N 2.74Å
137R79.6Confident85.7Confident95 Ų9543.6 Ų43.636%0.35823%0.233SC..SBendtrans-77.8149.2178.1-75.1-75.8173.4-167.1-1.8111.3L57 D61 Y134 V139L57-R137 HydrophobicContact CD2-CB 4.3Å; L57-R137 HydrophobicContact CD2-CG 4.41Å; D61-R137 IonicContact OD1-CZ 2.94Å; D61-R137 IonicContact OD1-NE 2.72Å; D61-R137 PolarHBondContact OD1-NE 3.28Å; D61-R137 IonicContact OD1-NH1 3.56Å; D61-R137 IonicContact OD1-NH2 3.21Å; D61-R137 PolarHBondContact OD1-NH2 2.76Å; D61-R137 IonicContact OD2-CZ 3.12Å; D61-R137 IonicContact OD2-NE 2.7Å; D61-R137 PolarHBondContact OD2-NE 2.81Å; D61-R137 IonicContact OD2-NH2 2.71Å; D61-R137 PolarHBondContact OD2-NH2 3.42Å; Y134-R137 HydrophobicContact CD1-CG 4.48Å; Y134-R137 WeakPolarHBondContact O-CB 3.16Å; Y134-R137 PolarHBondContact O-N 3.35Å; R137-V139 PolarHBondContact O-N 2.82Å
138S74.8Confident85.9Confident46 Ų4639.3 Ų39.332%0.32221%0.211SC..  trans-72.789.4176.7-171.70000110.9S226S138-S226 WeakPolarHBondContact O-CA 3.21Å; S138-S226 VanDerWaalsContact O-CB 3.31Å; S138-S226 WeakPolarHBondContact O-CB 3.45Å
139V85.5Confident86.3Confident9 Ų938.2 Ų38.26%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-103.5143.4173.3178.80000108.7L129 R137 I198 L228 F230L129-V139 HydrophobicContact CD2-CG2 4.38Å; R137-V139 PolarHBondContact O-N 2.82Å; V139-I198 HydrophobicContact CB-CD1 4.28Å; V139-I198 HydrophobicContact CB-CG1 3.99Å; V139-I198 HydrophobicContact CB-CG2 4.1Å; V139-I198 HydrophobicContact CG1-CG2 4.19Å; V139-I198 HydrophobicContact CG2-CD1 3.71Å; V139-I198 HydrophobicContact CG2-CG1 3.84Å; V139-L228 WeakPolarHBondContact CA-O 3.22Å; V139-L228 HydrophobicContact CG2-CB 4.34Å; V139-L228 HydrophobicContact CG2-CD2 4.15Å; V139-F230 HydrophobicContact CG1-CD2 3.42Å; V139-F230 VanDerWaalsContact CG1-CD2 3.42Å; V139-F230 HydrophobicContact CG1-CE2 3.42Å; V139-F230 VanDerWaalsContact CG1-CE2 3.42Å
140S87.7Confident86.4Confident2 Ų240 Ų401%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-121.4156.1169.666.70000112K223 S226 L228 F230S140-K223 WeakPolarHBondContact OG-CA 3.47Å; S140-S226 WeakPolarHBondContact CB-OG 3.38Å; S140-S226 PolarHBondContact OG-OG 3.49Å; S140-L228 PolarHBondContact N-O 3.27Å; S140-L228 VanDerWaalsContact N-O 3.07Å; S140-F230 PolarHBondContact O-N 3.49Å
141V88.2Confident86.6Confident5 Ų538 Ų383%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-125.7127.4173-164.20000108.6I126 V199 I201 S219 F230I126-V141 HydrophobicContact CD1-CB 4.5Å; I126-V141 HydrophobicContact CD1-CG1 4.19Å; I126-V141 HydrophobicContact CD1-CG2 3.46Å; I126-V141 VanDerWaalsContact CD1-CG2 3.46Å; I126-V141 HydrophobicContact CG1-CG2 4.46Å; V141-V199 WeakPolarHBondContact CG2-O 3.43Å; V141-I201 HydrophobicContact CB-CG1 4.28Å; V141-I201 HydrophobicContact CG1-CD1 3.78Å; V141-I201 HydrophobicContact CG1-CG1 3.8Å; V141-S219 PolarHBondContact O-OG 3.15Å; V141-F230 WeakPolarHBondContact CA-O 3.42Å; V141-F230 HydrophobicContact CB-CB 4.5Å; V141-F230 HydrophobicContact CG1-CB 4.13Å; V141-F230 HydrophobicContact CG2-CB 4.31Å
142V86Confident86.7Confident3 Ų339.1 Ų39.12%0.01820%0.198CC..  trans-94113.8-179.8-1760000109.7H119 K223 I229 F230 M231 Y235 Y245H119-V142 PolarHBondContact CE1-O 3.4Å; V142-K223 HydrophobicContact CG2-CD 3.71Å; V142-K223 HydrophobicContact CG2-CG 3.85Å; V142-I229 HydrophobicContact CG2-CG2 3.78Å; V142-F230 PolarHBondContact N-O 3.27Å; V142-M231 HydrophobicContact CB-CB 4.15Å; V142-M231 HydrophobicContact CG2-CB 4.5Å; V142-M231 HydrophobicContact CG2-CE 4.4Å; V142-Y235 HydrophobicContact CG1-CD1 3.91Å; V142-Y235 HydrophobicContact CG1-CE1 3.76Å; V142-Y245 HydrophobicContact CG1-CD1 3.9Å; V142-Y245 HydrophobicContact CG1-CE1 4.33Å
143G83.8Confident86.4Confident1 Ų142.8 Ų42.81%0.0122%0.217CC..  trans-110159.1176.100000113.5Q147G143-Q147 VanDerWaalsContact CA-OE1 3.23Å
144S84.2Confident86.3Confident8 Ų839.4 Ų39.46%0.05620%0.197CC..  trans-82168.1174.690.10000112.1D146 Q147 L148 Y235S144-D146 PolarHBondContact O-N 2.95Å; S144-D146 VanDerWaalsContact OG-CB 3.28Å; S144-D146 WeakPolarHBondContact OG-CB 3.48Å; S144-D146 PolarHBondContact OG-N 3.43Å; S144-D146 PolarHBondContact OG-OD2 2.96Å; S144-Q147 PolarHBondContact O-N 2.96Å; S144-Q147 VanDerWaalsContact O-N 3.11Å; S144-L148 PolarHBondContact O-N 2.86Å; S144-Y235 WeakPolarHBondContact CB-OH 3.47Å; S144-Y235 PolarHBondContact N-OH 3.02Å
145R85.6Confident86.2Confident22 Ų2241.7 Ų41.78%0.08321%0.211CC..Hα-helixtrans-62.6-20.5170-72.4179.2176.774.3-0.1113.5Q147 C149 C167 Y216R145-Q147 PolarHBondContact O-N 3.14Å; R145-C149 WeakPolarHBondContact O-CB 3.29Å; R145-C149 PolarHBondContact O-N 3.19Å; R145-C167 VanDerWaalsContact NE-CB 3.33Å; R145-C167 PolarHBondContact NE-SG 2.91Å; R145-Y216 HydrophobicContact CG-CD2 3.78Å; R145-Y216 HydrophobicContact CG-CE2 3.72Å; R145-Y216 HydrophobicContact CG-CG 4.2Å; R145-Y216 VanDerWaalsContact CZ-CZ 3.41Å; R145-Y216 VanDerWaalsContact NH1-CZ 3.26Å; R145-Y216 PolarHBondContact NH1-OH 2.97Å; R145-Y216 PolarHBondContact NH2-OH 2.85Å
146D82.7Confident86.1Confident65 Ų6544.2 Ų44.235%0.34823%0.229SC..Hα-helixtrans-72.3-20.6175.7-46.4-70.8000112.5S144 N160 K163S144-D146 PolarHBondContact O-N 2.95Å; S144-D146 VanDerWaalsContact OG-CB 3.28Å; S144-D146 WeakPolarHBondContact OG-CB 3.48Å; S144-D146 PolarHBondContact OG-N 3.43Å; S144-D146 PolarHBondContact OG-OD2 2.96Å; D146-N160 PolarHBondContact OD1-OD1 3.24Å; D146-N160 PolarHBondContact OD2-ND2 3.33Å; D146-K163 VanDerWaalsContact OD1-CD 3.28Å; D146-K163 WeakPolarHBondContact OD1-CD 3.19Å; D146-K163 WeakPolarHBondContact OD1-CE 3.48Å; D146-K163 IonicContact OD1-NZ 3.78Å; D146-K163 PolarHBondContact OD1-NZ 3.35Å
147Q85.3Confident86Confident64 Ų6436.4 Ų36.430%0.29920%0.203SC..Hα-helixtrans-106.5-35.4-175-62.7156.9-6.200111.7H119 G143 S144 R145 I201H119-Q147 PolarHBondContact CD2-NE2 3.13Å; H119-Q147 PolarHBondContact CE1-OE1 3.28Å; H119-Q147 PolarHBondContact NE2-NE2 2.94Å; H119-Q147 PolarHBondContact NE2-OE1 2.91Å; G143-Q147 VanDerWaalsContact CA-OE1 3.23Å; S144-Q147 PolarHBondContact O-N 2.96Å; S144-Q147 VanDerWaalsContact O-N 3.11Å; R145-Q147 PolarHBondContact O-N 3.14Å; Q147-I201 HydrophobicContact CB-CG2 4Å
148L91.9Very high85.6Confident0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-116.911.3-167.7-66.2179.6000114.3S144 I201 L204 P215 Y216S144-L148 PolarHBondContact O-N 2.86Å; L148-I201 HydrophobicContact CD2-CB 4.42Å; L148-I201 HydrophobicContact CD2-CG1 4.48Å; L148-I201 HydrophobicContact CD2-CG2 3.91Å; L148-I201 HydrophobicContact CG-CG2 4.44Å; L148-L204 HydrophobicContact CD2-CB 4.25Å; L148-P215 HydrophobicContact CB-CB 4.04Å; L148-P215 HydrophobicContact CD2-CB 3.77Å; L148-P215 HydrophobicContact CG-CB 4.45Å; L148-P215 WeakPolarHBondContact O-CD 3.29Å; L148-Y216 HydrophobicContact CB-CD2 4.5Å; L148-Y216 PolarHBondContact O-N 2.82Å
149C94.5Very high85.2Confident20 Ų2040.3 Ų40.314%0.13522%0.224CC..  trans-101.7130.6172.8-165.70000111R145 T155R145-C149 WeakPolarHBondContact O-CB 3.29Å; R145-C149 PolarHBondContact O-N 3.19Å; C149-T155 HydrophobicContact CB-CG2 3.99Å; C149-T155 WeakPolarHBondContact O-CG2 3.18Å
150L94.5Very high84.5Confident36 Ų3643.8 Ų43.819%0.18824%0.242CC..  trans-105.89-177.5-58178.6000113.5Y178 Q209 P215L150-Y178 HydrophobicContact CB-CD1 3.99Å; L150-Y178 HydrophobicContact CB-CE1 3.63Å; L150-Y178 HydrophobicContact CB-CE2 4.24Å; L150-Y178 HydrophobicContact CB-CG 4.44Å; L150-Y178 HydrophobicContact CD1-CD1 3.86Å; L150-Y178 HydrophobicContact CD1-CE1 3.66Å; L150-Y178 HydrophobicContact CG-CD1 4.5Å; L150-Y178 HydrophobicContact CG-CE1 4.3Å; L150-Q209 HydrophobicContact CD1-CB 4.04Å; L150-P215 HydrophobicContact CD1-CG 3.69Å; L150-P215 HydrophobicContact CD2-CG 4.42Å; L150-P215 HydrophobicContact CG-CG 3.91Å
151L92.7Very high83.5Confident22 Ų2245 Ų4512%0.11525%0.251CS..  trans-98.2113.9179.7-84163.9000111D153 V154 T155 C176 Y178L151-D153 PolarHBondContact O-N 2.83Å; L151-V154 HydrophobicContact CB-CB 4.26Å; L151-V154 HydrophobicContact CB-CG2 4.03Å; L151-V154 PolarHBondContact O-N 3.1Å; L151-T155 PolarHBondContact O-N 3.26Å; L151-T155 PolarHBondContact O-OG1 2.72Å; L151-C176 HydrophobicContact CD1-CB 4.27Å; L151-C176 WeakPolarHBondContact CD1-SG 3.34Å; L151-Y178 HydrophobicContact CD1-CD2 4.33Å; L151-Y178 HydrophobicContact CD2-CD2 4.12Å; L151-Y178 HydrophobicContact CD2-CE2 4.05Å; L151-Y178 HydrophobicContact CG-CD2 3.81Å; L151-Y178 HydrophobicContact CG-CE2 4.04Å
152P88.6Confident82.6Confident83 Ų8345.4 Ų45.454%0.53925%0.254SS..Hα-helixtrans-53.2-47.2-176-29.836.8000114.6V154 T155 S156P152-V154 PolarHBondContact O-N 2.96Å; P152-T155 WeakPolarHBondContact CA-OG1 3.3Å; P152-T155 PolarHBondContact O-N 2.92Å; P152-T155 PolarHBondContact O-OG1 2.88Å; P152-T155 VanDerWaalsContact O-OG1 3.13Å; P152-S156 VanDerWaalsContact O-CB 3.27Å; P152-S156 WeakPolarHBondContact O-CB 3.4Å; P152-S156 PolarHBondContact O-N 3.31Å; P152-S156 PolarHBondContact O-OG 2.9Å
153D84.5Confident82.4Confident86 Ų8646.3 Ų46.346%0.4626%0.258SS..Hα-helixtrans-71.8-5.5-179.611.3-63000114.1L151 R170L151-D153 PolarHBondContact O-N 2.83Å; D153-R170 IonicContact OD2-CZ 2.67Å; D153-R170 IonicContact OD2-NH1 3.59Å; D153-R170 PolarHBondContact OD2-NH1 3.38Å; D153-R170 IonicContact OD2-NH2 2.73Å; D153-R170 PolarHBondContact OD2-NH2 2.69Å
154V86.4Confident82.1Confident1 Ų147.9 Ų47.91%0.00627%0.266CS..Hα-helixtrans-98.1-44.4165.7-177.10000110.2L151 P152 S156 L157 K163 A166L151-V154 HydrophobicContact CB-CB 4.26Å; L151-V154 HydrophobicContact CB-CG2 4.03Å; L151-V154 PolarHBondContact O-N 3.1Å; P152-V154 PolarHBondContact O-N 2.96Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.3Å; V154-L157 PolarHBondContact O-N 3.43Å; V154-K163 HydrophobicContact CG1-CB 4.25Å; V154-K163 WeakPolarHBondContact O-CG 3.41Å; V154-A166 HydrophobicContact CG2-CB 4.32Å
155T87.4Confident81.4Confident54 Ų5448.5 Ų48.533%0.33127%0.267SS..Hα-helixtrans-66.7-30-177.953.80000113.3C149 L151 P152 L157 K163C149-T155 HydrophobicContact CB-CG2 3.99Å; C149-T155 WeakPolarHBondContact O-CG2 3.18Å; L151-T155 PolarHBondContact O-N 3.26Å; L151-T155 PolarHBondContact O-OG1 2.72Å; P152-T155 WeakPolarHBondContact CA-OG1 3.3Å; P152-T155 PolarHBondContact O-N 2.92Å; P152-T155 PolarHBondContact O-OG1 2.88Å; P152-T155 VanDerWaalsContact O-OG1 3.13Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 2.91Å; T155-K163 WeakPolarHBondContact O-CE 3.25Å; T155-K163 PolarHBondContact O-NZ 2.93Å
156S84.4Confident81Confident89 Ų8948.7 Ų48.762%0.62227%0.273SS*.THydrogen-bonded Turntrans-75.1-11.6179.661.10000115.4P152 V154P152-S156 VanDerWaalsContact O-CB 3.27Å; P152-S156 WeakPolarHBondContact O-CB 3.4Å; P152-S156 PolarHBondContact O-N 3.31Å; P152-S156 PolarHBondContact O-OG 2.9Å; V154-S156 VanDerWaalsContact C-N 3.29Å; V154-S156 PolarHBondContact O-N 3.3Å
157L77.6Confident81.3Confident53 Ų5346.2 Ų46.228%0.27726%0.261SS..  trans-67.5139.3177.5-59.1172000110.9V154 T155 A162 K163 A166V154-L157 PolarHBondContact O-N 3.43Å; T155-L157 VanDerWaalsContact C-N 3.33Å; T155-L157 PolarHBondContact O-N 2.91Å; L157-A162 HydrophobicContact CB-CB 4.36Å; L157-A162 HydrophobicContact CD1-CB 4.22Å; L157-K163 HydrophobicContact CB-CG 3.99Å; L157-K163 WeakPolarHBondContact O-CE 3.39Å; L157-A166 HydrophobicContact CD1-CB 3.71Å
158E70.9Confident81.1Confident194 Ų19449.6 Ų49.691%0.90727%0.271SS*.SBendtrans-73.3-29.4-173.2-62.7-171.3142.600114.4
159S66.9Low80.3Confident29 Ų2952 Ų5220%0.20328%0.283CS..  trans-112.6138.3-174.879.30000112.9S161 A162 K163S159-S161 PolarHBondContact O-N 2.93Å; S159-A162 PolarHBondContact O-N 2.85Å; S159-A162 VanDerWaalsContact O-N 3.13Å; S159-A162 VanDerWaalsContact OG-CB 3.29Å; S159-A162 WeakPolarHBondContact OG-CB 3.46Å; S159-A162 PolarHBondContact OG-N 2.83Å; S159-K163 WeakPolarHBondContact O-CG 3.42Å; S159-K163 PolarHBondContact O-N 3.07Å
160N71Confident79.8Confident83 Ų8354.7 Ų54.744%0.44429%0.29SS..Hα-helixtrans-62.2-31.2179.3-76.730.2000112.2D146 K163 I164D146-N160 PolarHBondContact OD1-OD1 3.24Å; D146-N160 PolarHBondContact OD2-ND2 3.33Å; N160-K163 PolarHBondContact O-N 2.65Å; N160-I164 WeakPolarHBondContact O-CB 3.36Å; N160-I164 WeakPolarHBondContact O-CD1 3.45Å; N160-I164 WeakPolarHBondContact O-CG1 3.47Å; N160-I164 PolarHBondContact O-N 3.46Å
161S67.1Low79.4Confident27 Ų2754.3 Ų54.319%0.18929%0.289CS..Hα-helixtrans-63.9-43.5175.2-33.10000111.3S159 I164 Y165 H422S159-S161 PolarHBondContact O-N 2.93Å; S161-I164 PolarHBondContact O-N 3.49Å; S161-Y165 PolarHBondContact O-N 2.61Å; S161-H422 PolarHBondContact OG-CD2 3.34Å; S161-H422 PolarHBondContact OG-NE2 3.46Å
162A69Low78.9Confident13 Ų1360.2 Ų60.211%0.10732%0.316CS..Hα-helixtrans-64.7-39.9172.500000112L157 S159 Y165 A166L157-A162 HydrophobicContact CB-CB 4.36Å; L157-A162 HydrophobicContact CD1-CB 4.22Å; S159-A162 PolarHBondContact O-N 2.85Å; S159-A162 VanDerWaalsContact O-N 3.13Å; S159-A162 VanDerWaalsContact OG-CB 3.29Å; S159-A162 WeakPolarHBondContact OG-CB 3.46Å; S159-A162 PolarHBondContact OG-N 2.83Å; A162-Y165 PolarHBondContact O-N 2.92Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.02Å
163K80.8Confident78.6Confident23 Ų2360 Ų6010%0.131%0.314CS..Hα-helixtrans-62.2-42.1173.9-61.7-172.3-171.3177.40112.9D146 V154 T155 L157 S159 N160 C167D146-K163 VanDerWaalsContact OD1-CD 3.28Å; D146-K163 WeakPolarHBondContact OD1-CD 3.19Å; D146-K163 WeakPolarHBondContact OD1-CE 3.48Å; D146-K163 IonicContact OD1-NZ 3.78Å; D146-K163 PolarHBondContact OD1-NZ 3.35Å; V154-K163 HydrophobicContact CG1-CB 4.25Å; V154-K163 WeakPolarHBondContact O-CG 3.41Å; T155-K163 WeakPolarHBondContact O-CE 3.25Å; T155-K163 PolarHBondContact O-NZ 2.93Å; L157-K163 HydrophobicContact CB-CG 3.99Å; L157-K163 WeakPolarHBondContact O-CE 3.39Å; S159-K163 WeakPolarHBondContact O-CG 3.42Å; S159-K163 PolarHBondContact O-N 3.07Å; N160-K163 PolarHBondContact O-N 2.65Å; K163-C167 WeakPolarHBondContact O-CB 3.43Å; K163-C167 PolarHBondContact O-N 3.41Å; K163-C167 VanDerWaalsContact O-N 3.08Å
164I77.4Confident78.7Confident33 Ų3361.3 Ų61.317%0.16931%0.312CS..Hα-helixtrans-60.3-47.7176-71.4160.9000109.6N160 S161 R168N160-I164 WeakPolarHBondContact O-CB 3.36Å; N160-I164 WeakPolarHBondContact O-CD1 3.45Å; N160-I164 WeakPolarHBondContact O-CG1 3.47Å; N160-I164 PolarHBondContact O-N 3.46Å; S161-I164 PolarHBondContact O-N 3.49Å; I164-R168 WeakPolarHBondContact O-CG 3.42Å; I164-R168 PolarHBondContact O-N 2.9Å
165Y70.6Confident78.8Confident22 Ų2265.7 Ų65.79%0.08634%0.339CS..Hα-helixtrans-69.4-50.8-178.8-170.7-77.5000113S161 A162 C167 R168 M169 S405 N408 S409S161-Y165 PolarHBondContact O-N 2.61Å; A162-Y165 PolarHBondContact O-N 2.92Å; Y165-C167 PolarHBondContact O-N 3.29Å; Y165-R168 CarbonylContact O-C 3.57Å; Y165-R168 WeakPolarHBondContact O-CA 3.41Å; Y165-R168 WeakPolarHBondContact O-CB 3.46Å; Y165-R168 PolarHBondContact O-N 2.91Å; Y165-M169 HydrophobicContact CD1-CG 3.92Å; Y165-M169 HydrophobicContact CE1-CB 4.15Å; Y165-M169 HydrophobicContact CE1-CG 3.15Å; Y165-M169 HydrophobicContact CE1-SD 4.42Å; Y165-M169 PolarHBondContact O-N 3.1Å; Y165-S405 VanDerWaalsContact CE2-O 3.3Å; Y165-S405 WeakPolarHBondContact CE2-O 3.42Å; Y165-S405 VanDerWaalsContact CZ-O 3.24Å; Y165-S405 PolarHBondContact OH-O 3.25Å; Y165-N408 HydrophobicContact CD1-CB 3.11Å; Y165-N408 HydrophobicContact CD2-CB 3.69Å; Y165-N408 HydrophobicContact CE1-CB 3.39Å; Y165-N408 WeakPolarHBondContact CE1-O 3.49Å; Y165-N408 HydrophobicContact CE2-CB 3.95Å; Y165-N408 HydrophobicContact CG-CB 3.26Å; Y165-S409 VanDerWaalsContact CE1-N 3.35Å; Y165-S409 WeakPolarHBondContact OH-CA 3.26Å; Y165-S409 WeakPolarHBondContact OH-CB 3.4Å; Y165-S409 PolarHBondContact OH-N 3.14Å; Y165-S409 PolarHBondContact OH-OG 3.08Å
166A77.4Confident79Confident25 Ų2563.5 Ų63.521%0.20733%0.326CS..Hα-helixtrans-58-35.6179.300000111.6V154 L157 A162 R170V154-A166 HydrophobicContact CG2-CB 4.32Å; L157-A166 HydrophobicContact CD1-CB 3.71Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 3.02Å; A166-R170 WeakPolarHBondContact O-CB 3Å; A166-R170 WeakPolarHBondContact O-CG 3.19Å; A166-R170 PolarHBondContact O-N 2.88Å; A166-R170 VanDerWaalsContact O-N 3.15Å
167C87.5Confident79.5Confident14 Ų1462.5 Ų62.510%0.09531%0.311CS..Hα-helixtrans-64.6-46.8168.4174.80000112.8R145 K163 Y165 R170 V171R145-C167 VanDerWaalsContact NE-CB 3.33Å; R145-C167 PolarHBondContact NE-SG 2.91Å; K163-C167 WeakPolarHBondContact O-CB 3.43Å; K163-C167 PolarHBondContact O-N 3.41Å; K163-C167 VanDerWaalsContact O-N 3.08Å; Y165-C167 PolarHBondContact O-N 3.29Å; C167-R170 PolarHBondContact O-N 2.84Å; C167-V171 WeakPolarHBondContact O-CB 3.45Å; C167-V171 WeakPolarHBondContact O-CG2 3.48Å; C167-V171 PolarHBondContact O-N 3.11Å
168R82.4Confident80.4Confident135 Ų13561.5 Ų61.551%0.50930%0.304SS..Hα-helixtrans-58.7-49.5177.6-79.3176.3176.6176.3-0.2111.6I164 Y165 R170 V171 Q172I164-R168 WeakPolarHBondContact O-CG 3.42Å; I164-R168 PolarHBondContact O-N 2.9Å; Y165-R168 CarbonylContact O-C 3.57Å; Y165-R168 WeakPolarHBondContact O-CA 3.41Å; Y165-R168 WeakPolarHBondContact O-CB 3.46Å; Y165-R168 PolarHBondContact O-N 2.91Å; R168-R170 PolarHBondContact O-N 3.02Å; R168-V171 WeakPolarHBondContact O-CB 3.22Å; R168-V171 PolarHBondContact O-N 3.29Å; R168-Q172 WeakPolarHBondContact O-CB 3.43Å; R168-Q172 PolarHBondContact O-N 3.12Å
169M74.4Confident81.5Confident51 Ų5153.1 Ų53.125%0.25127%0.265SS..Hα-helixtrans-62.4-44.5178.7-84.8-58.8117.500112.9Y165 V171 Q172 T173Y165-M169 HydrophobicContact CD1-CG 3.92Å; Y165-M169 HydrophobicContact CE1-CB 4.15Å; Y165-M169 HydrophobicContact CE1-CG 3.15Å; Y165-M169 HydrophobicContact CE1-SD 4.42Å; Y165-M169 PolarHBondContact O-N 3.1Å; M169-V171 PolarHBondContact O-N 3.46Å; M169-Q172 VanDerWaalsContact CE-OE1 3.27Å; M169-Q172 PolarHBondContact O-N 3.46Å; M169-T173 WeakPolarHBondContact O-CB 3.39Å; M169-T173 WeakPolarHBondContact O-CG2 3.34Å; M169-T173 PolarHBondContact O-N 2.74Å; M169-T173 PolarHBondContact O-OG1 3.31Å
170R84.2Confident82.8Confident75 Ų7557.6 Ų57.628%0.28328%0.277SS..Hα-helixtrans-69.2-20.5178.4-67.1-179.1169.3-169.1-4.4113.6D153 A166 C167 R168 R174 T175 C176D153-R170 IonicContact OD2-CZ 2.67Å; D153-R170 IonicContact OD2-NH1 3.59Å; D153-R170 PolarHBondContact OD2-NH1 3.38Å; D153-R170 IonicContact OD2-NH2 2.73Å; D153-R170 PolarHBondContact OD2-NH2 2.69Å; A166-R170 WeakPolarHBondContact O-CB 3Å; A166-R170 WeakPolarHBondContact O-CG 3.19Å; A166-R170 PolarHBondContact O-N 2.88Å; A166-R170 VanDerWaalsContact O-N 3.15Å; C167-R170 PolarHBondContact O-N 2.84Å; R168-R170 PolarHBondContact O-N 3.02Å; R170-R174 CarbonylContact O-C 3.53Å; R170-R174 PolarHBondContact O-N 2.73Å; R170-T175 WeakPolarHBondContact CA-OG1 3.27Å; R170-T175 PolarHBondContact O-N 2.77Å; R170-C176 HydrophobicContact CB-CB 3.81Å; R170-C176 VanDerWaalsContact O-CB 3.3Å; R170-C176 WeakPolarHBondContact O-CB 3.24Å; R170-C176 PolarHBondContact O-N 3.42Å
171V86.7Confident83.9Confident28 Ų2855.6 Ų55.617%0.1727%0.266CS..Hα-helixtrans-77.8-49.7170165.20000110.6C167 R168 M169 R174 F179 F217C167-V171 WeakPolarHBondContact O-CB 3.45Å; C167-V171 WeakPolarHBondContact O-CG2 3.48Å; C167-V171 PolarHBondContact O-N 3.11Å; R168-V171 WeakPolarHBondContact O-CB 3.22Å; R168-V171 PolarHBondContact O-N 3.29Å; M169-V171 PolarHBondContact O-N 3.46Å; V171-R174 WeakPolarHBondContact O-CA 3.39Å; V171-R174 PolarHBondContact O-N 3.23Å; V171-F179 HydrophobicContact CB-CD1 4.28Å; V171-F179 HydrophobicContact CB-CG 4.47Å; V171-F179 HydrophobicContact CG1-CD1 4.01Å; V171-F179 HydrophobicContact CG1-CD2 4.42Å; V171-F179 HydrophobicContact CG1-CE1 3.78Å; V171-F179 HydrophobicContact CG1-CE2 4.21Å; V171-F179 HydrophobicContact CG1-CG 4.33Å; V171-F179 HydrophobicContact CG1-CZ 3.9Å; V171-F179 HydrophobicContact CG2-CB 4.1Å; V171-F179 HydrophobicContact CG2-CD1 4.09Å; V171-F179 HydrophobicContact CG2-CD2 4.1Å; V171-F179 HydrophobicContact CG2-CG 3.79Å; V171-F217 HydrophobicContact CG1-CZ 4.18Å; V171-F217 HydrophobicContact CG2-CE2 3.63Å; V171-F217 HydrophobicContact CG2-CZ 3.72Å
172Q81.4Confident85.3Confident146 Ų14654.6 Ų54.668%0.68226%0.259SS*.Hα-helixtrans-64.4-42.5-177.9-175.6171.6-12.400112.6R168 M169 R174R168-Q172 WeakPolarHBondContact O-CB 3.43Å; R168-Q172 PolarHBondContact O-N 3.12Å; M169-Q172 VanDerWaalsContact CE-OE1 3.27Å; M169-Q172 PolarHBondContact O-N 3.46Å; Q172-R174 PolarHBondContact O-N 3.02Å
173T82.1Confident86.4Confident79 Ų7957 Ų5749%0.48527%0.27SS..THydrogen-bonded Turntrans-78.3-2.6172.559.30000113.5M169 T175M169-T173 WeakPolarHBondContact O-CB 3.39Å; M169-T173 WeakPolarHBondContact O-CG2 3.34Å; M169-T173 PolarHBondContact O-N 2.74Å; M169-T173 PolarHBondContact O-OG1 3.31Å; T173-T175 PolarHBondContact O-N 3.33Å; T173-T175 PolarHBondContact OG1-OG1 2.94Å
174R86.7Confident87Confident113 Ų11360.1 Ų60.143%0.42629%0.294SS..SBendtrans53.121.8-175.4-56.3-178.968.483.4-1115R170 V171 Q172 D183R170-R174 CarbonylContact O-C 3.53Å; R170-R174 PolarHBondContact O-N 2.73Å; V171-R174 WeakPolarHBondContact O-CA 3.39Å; V171-R174 PolarHBondContact O-N 3.23Å; Q172-R174 PolarHBondContact O-N 3.02Å; R174-D183 IonicContact CZ-OD2 3.39Å; R174-D183 IonicContact NH1-OD2 3.64Å; R174-D183 PolarHBondContact NH1-OD2 2.86Å; R174-D183 IonicContact NH2-OD2 2.77Å; R174-D183 PolarHBondContact NH2-OD2 3.08Å
175T88.2Confident87.6Confident93 Ų9362.9 Ų62.957%0.57131%0.305SS*.  trans-78.8-16.9177.152.30000113.7R170 T173 E177R170-T175 WeakPolarHBondContact CA-OG1 3.27Å; R170-T175 PolarHBondContact O-N 2.77Å; T173-T175 PolarHBondContact O-N 3.33Å; T173-T175 PolarHBondContact OG1-OG1 2.94Å; T175-E177 PolarHBondContact O-N 3.15Å
176C92.8Very high88.6Confident9 Ų966.5 Ų66.56%0.06132%0.319CS..  trans-71.3104.6172.5178.80000110.9L151 R170 Y178 F179 R180L151-C176 HydrophobicContact CD1-CB 4.27Å; L151-C176 WeakPolarHBondContact CD1-SG 3.34Å; R170-C176 HydrophobicContact CB-CB 3.81Å; R170-C176 VanDerWaalsContact O-CB 3.3Å; R170-C176 WeakPolarHBondContact O-CB 3.24Å; R170-C176 PolarHBondContact O-N 3.42Å; C176-Y178 VanDerWaalsContact C-N 3.33Å; C176-Y178 PolarHBondContact O-N 2.8Å; C176-F179 HydrophobicContact CB-CB 3.83Å; C176-F179 PolarHBondContact O-N 3.29Å; C176-F179 VanDerWaalsContact SG-CB 3.53Å; C176-F179 PolarHBondContact SG-N 2.88Å; C176-R180 WeakPolarHBondContact O-CB 3.39Å; C176-R180 PolarHBondContact O-N 2.68Å
177E94Very high89.2Confident67 Ų6769.9 Ų69.931%0.31333%0.333SS..Hα-helixtrans-55.8-45.7179.364.1169.117000112.4T175 F179 R180 N181T175-E177 PolarHBondContact O-N 3.15Å; E177-F179 VanDerWaalsContact C-N 3.31Å; E177-F179 PolarHBondContact O-N 2.87Å; E177-R180 PolarHBondContact O-N 3.38Å; E177-N181 WeakPolarHBondContact O-CB 3.48Å; E177-N181 PolarHBondContact O-N 3.37Å; E177-N181 PolarHBondContact O-ND2 2.79Å; E177-N181 PolarHBondContact O-OD1 3.19Å
178Y96.5Very high89.4Confident33 Ų3373.8 Ų73.813%0.12935%0.35CS..Hα-helixtrans-62.5-37-179.1-66.3-91.6000112.4L150 L151 C176 F182 C213 C214L150-Y178 HydrophobicContact CB-CD1 3.99Å; L150-Y178 HydrophobicContact CB-CE1 3.63Å; L150-Y178 HydrophobicContact CB-CE2 4.24Å; L150-Y178 HydrophobicContact CB-CG 4.44Å; L150-Y178 HydrophobicContact CD1-CD1 3.86Å; L150-Y178 HydrophobicContact CD1-CE1 3.66Å; L150-Y178 HydrophobicContact CG-CD1 4.5Å; L150-Y178 HydrophobicContact CG-CE1 4.3Å; L151-Y178 HydrophobicContact CD1-CD2 4.33Å; L151-Y178 HydrophobicContact CD2-CD2 4.12Å; L151-Y178 HydrophobicContact CD2-CE2 4.05Å; L151-Y178 HydrophobicContact CG-CD2 3.81Å; L151-Y178 HydrophobicContact CG-CE2 4.04Å; C176-Y178 VanDerWaalsContact C-N 3.33Å; C176-Y178 PolarHBondContact O-N 2.8Å; Y178-F182 WeakPolarHBondContact O-CB 3.48Å; Y178-F182 PolarHBondContact O-N 2.8Å; Y178-C213 CarbonylContact O-C 3.46Å; Y178-C213 WeakPolarHBondContact O-CA 3.37Å; Y178-C214 WeakPolarHBondContact O-CB 3.47Å; Y178-C214 PolarHBondContact O-N 3.47Å
179F95.2Very high89.7Confident17 Ų1767.5 Ų67.58%0.07533%0.326CS..Hα-helixtrans-72.7-47.3175.6173.7-102.3000110.5V171 C176 E177 N181 F182 D183 F217V171-F179 HydrophobicContact CB-CD1 4.28Å; V171-F179 HydrophobicContact CB-CG 4.47Å; V171-F179 HydrophobicContact CG1-CD1 4.01Å; V171-F179 HydrophobicContact CG1-CD2 4.42Å; V171-F179 HydrophobicContact CG1-CE1 3.78Å; V171-F179 HydrophobicContact CG1-CE2 4.21Å; V171-F179 HydrophobicContact CG1-CG 4.33Å; V171-F179 HydrophobicContact CG1-CZ 3.9Å; V171-F179 HydrophobicContact CG2-CB 4.1Å; V171-F179 HydrophobicContact CG2-CD1 4.09Å; V171-F179 HydrophobicContact CG2-CD2 4.1Å; V171-F179 HydrophobicContact CG2-CG 3.79Å; C176-F179 HydrophobicContact CB-CB 3.83Å; C176-F179 PolarHBondContact O-N 3.29Å; C176-F179 VanDerWaalsContact SG-CB 3.53Å; C176-F179 PolarHBondContact SG-N 2.88Å; E177-F179 VanDerWaalsContact C-N 3.31Å; E177-F179 PolarHBondContact O-N 2.87Å; F179-N181 PolarHBondContact O-N 3.48Å; F179-F182 HydrophobicContact CD2-CD1 4.35Å; F179-F182 HydrophobicContact CE2-CD1 4.34Å; F179-F182 WeakPolarHBondContact O-CB 3.48Å; F179-F182 PolarHBondContact O-N 3.01Å; F179-F182 VanDerWaalsContact O-N 3.1Å; F179-D183 HydrophobicContact CE1-CB 4.17Å; F179-D183 HydrophobicContact CE2-CB 4.46Å; F179-D183 HydrophobicContact CZ-CB 4.07Å; F179-D183 VanDerWaalsContact O-CB 3.29Å; F179-D183 WeakPolarHBondContact O-CB 3.45Å; F179-D183 PolarHBondContact O-N 3.19Å; F179-F217 HydrophobicContact CD2-CB 4.41Å; F179-F217 HydrophobicContact CD2-CD1 4.05Å; F179-F217 AromaticContact CD2-CD2 3.68Å; F179-F217 HydrophobicContact CD2-CD2 3.68Å; F179-F217 HydrophobicContact CD2-CE1 4.21Å; F179-F217 AromaticContact CD2-CE2 3.86Å; F179-F217 HydrophobicContact CD2-CE2 3.86Å; F179-F217 AromaticContact CD2-CG 3.78Å; F179-F217 HydrophobicContact CD2-CG 3.78Å; F179-F217 HydrophobicContact CD2-CZ 4.13Å; F179-F217 AromaticContact CE2-CD1 3.83Å; F179-F217 HydrophobicContact CE2-CD1 3.83Å; F179-F217 HydrophobicContact CE2-CD2 4.3Å; F179-F217 AromaticContact CE2-CE1 3.91Å; F179-F217 HydrophobicContact CE2-CE1 3.91Å; F179-F217 HydrophobicContact CE2-CE2 4.39Å; F179-F217 HydrophobicContact CE2-CG 4.03Å; F179-F217 HydrophobicContact CE2-CZ 4.2Å
180R94.5Very high90.3Very high124 Ų12465.6 Ų65.647%0.46832%0.317SS..Hα-helixtrans-56.9-38.5178.8-176.1-179.166.2-167.6-2.2112.3C176 E177 S184C176-R180 WeakPolarHBondContact O-CB 3.39Å; C176-R180 PolarHBondContact O-N 2.68Å; E177-R180 PolarHBondContact O-N 3.38Å; R180-S184 WeakPolarHBondContact O-CB 3.38Å; R180-S184 PolarHBondContact O-N 3.15Å; R180-S184 VanDerWaalsContact O-N 3.11Å; R180-S184 PolarHBondContact O-OG 3.38Å; R180-S184 VanDerWaalsContact O-OG 3.12Å
181N94.1Very high90.5Very high41 Ų4166.4 Ų66.422%0.21933%0.331CS..Hα-helixtrans-74.9-33.5178.1-61.3-12.3000112.7E177 F179 S184 K185 K212 C213E177-N181 WeakPolarHBondContact O-CB 3.48Å; E177-N181 PolarHBondContact O-N 3.37Å; E177-N181 PolarHBondContact O-ND2 2.79Å; E177-N181 PolarHBondContact O-OD1 3.19Å; F179-N181 PolarHBondContact O-N 3.48Å; N181-S184 PolarHBondContact O-OG 3.32Å; N181-K185 WeakPolarHBondContact O-CB 3.4Å; N181-K185 PolarHBondContact O-N 2.96Å; N181-K212 VanDerWaalsContact CB-O 3.3Å; N181-K212 WeakPolarHBondContact CB-O 3.07Å; N181-K212 PolarHBondContact ND2-O 3.35Å; N181-C213 VanDerWaalsContact C-SG 3.57Å
182F94.6Very high90.5Very high6 Ų668.2 Ų68.23%0.02634%0.339CS..Hα-helixtrans-66.1-48.6170.2163.6-102.8000111Y178 F179 S184 K185 R186 I189 C213 F217 I218 E221Y178-F182 WeakPolarHBondContact O-CB 3.48Å; Y178-F182 PolarHBondContact O-N 2.8Å; F179-F182 HydrophobicContact CD2-CD1 4.35Å; F179-F182 HydrophobicContact CE2-CD1 4.34Å; F179-F182 WeakPolarHBondContact O-CB 3.48Å; F179-F182 PolarHBondContact O-N 3.01Å; F179-F182 VanDerWaalsContact O-N 3.1Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 3.06Å; F182-K185 CarbonylContact O-C 3.58Å; F182-K185 PolarHBondContact O-N 3.12Å; F182-K185 VanDerWaalsContact O-N 3.14Å; F182-R186 HydrophobicContact CE1-CG 4.2Å; F182-R186 HydrophobicContact CE2-CG 4Å; F182-R186 HydrophobicContact CZ-CG 3.71Å; F182-R186 WeakPolarHBondContact O-CA 3.45Å; F182-R186 PolarHBondContact O-N 3Å; F182-I189 HydrophobicContact CD2-CD1 4.28Å; F182-C213 HydrophobicContact CB-CB 4.18Å; F182-F217 HydrophobicContact CD1-CB 3.71Å; F182-F217 HydrophobicContact CE1-CB 3.62Å; F182-F217 HydrophobicContact CG-CB 4.38Å; F182-F217 HydrophobicContact CZ-CB 4.21Å; F182-I218 HydrophobicContact CD2-CD1 4.25Å; F182-I218 HydrophobicContact CD2-CG1 3.37Å; F182-I218 HydrophobicContact CE2-CB 4.3Å; F182-I218 HydrophobicContact CE2-CG1 3.55Å; F182-I218 HydrophobicContact CG-CG1 4.33Å; F182-E221 HydrophobicContact CZ-CB 4.18Å
183D93.7Very high90.7Very high64 Ų6461.3 Ų61.334%0.34231%0.307SS..Hα-helixtrans-62.9-35.6-176.4-164.363.9000112R174 F179R174-D183 IonicContact CZ-OD2 3.39Å; R174-D183 IonicContact NH1-OD2 3.64Å; R174-D183 PolarHBondContact NH1-OD2 2.86Å; R174-D183 IonicContact NH2-OD2 2.77Å; R174-D183 PolarHBondContact NH2-OD2 3.08Å; F179-D183 HydrophobicContact CE1-CB 4.17Å; F179-D183 HydrophobicContact CE2-CB 4.46Å; F179-D183 HydrophobicContact CZ-CB 4.07Å; F179-D183 VanDerWaalsContact O-CB 3.29Å; F179-D183 WeakPolarHBondContact O-CB 3.45Å; F179-D183 PolarHBondContact O-N 3.19Å
184S92.1Very high90.5Very high88 Ų8862 Ų6262%0.61530%0.303SS*.Hα-helixtrans-80.3-15176650000115.2R180 N181 F182R180-S184 WeakPolarHBondContact O-CB 3.38Å; R180-S184 PolarHBondContact O-N 3.15Å; R180-S184 VanDerWaalsContact O-N 3.11Å; R180-S184 PolarHBondContact O-OG 3.38Å; R180-S184 VanDerWaalsContact O-OG 3.12Å; N181-S184 PolarHBondContact O-OG 3.32Å; F182-S184 VanDerWaalsContact C-N 3.31Å; F182-S184 PolarHBondContact O-N 3.06Å
185K91.4Very high90.1Very high90 Ų9061 Ų6139%0.39131%0.314SS..THydrogen-bonded Turntrans-123.919.3-179.1-71.5175151.7-81.70112.8N181 F182 D187 E188 I189N181-K185 WeakPolarHBondContact O-CB 3.4Å; N181-K185 PolarHBondContact O-N 2.96Å; F182-K185 CarbonylContact O-C 3.58Å; F182-K185 PolarHBondContact O-N 3.12Å; F182-K185 VanDerWaalsContact O-N 3.14Å; K185-D187 PolarHBondContact O-N 2.85Å; K185-E188 VanDerWaalsContact NZ-CD 3.33Å; K185-E188 IonicContact NZ-OE1 2.66Å; K185-E188 PolarHBondContact NZ-OE1 3.2Å; K185-E188 VanDerWaalsContact NZ-OE1 3.11Å; K185-E188 IonicContact NZ-OE2 2.67Å; K185-E188 PolarHBondContact NZ-OE2 3.42Å; K185-E188 WeakPolarHBondContact O-CB 3.48Å; K185-E188 PolarHBondContact O-N 2.75Å; K185-I189 HydrophobicContact CB-CD1 3.7Å; K185-I189 HydrophobicContact CB-CG1 4.07Å; K185-I189 WeakPolarHBondContact O-CG1 3.34Å; K185-I189 PolarHBondContact O-N 3.47Å
186R90.4Very high89.6Confident98 Ų9862.8 Ų62.837%0.3732%0.316SS..Hα-helixtrans-51.7-52.6-164.6-164.9-162.469156.5-7.5112.4F182 I189 L190 E221F182-R186 HydrophobicContact CE1-CG 4.2Å; F182-R186 HydrophobicContact CE2-CG 4Å; F182-R186 HydrophobicContact CZ-CG 3.71Å; F182-R186 WeakPolarHBondContact O-CA 3.45Å; F182-R186 PolarHBondContact O-N 3Å; R186-I189 PolarHBondContact O-N 2.81Å; R186-L190 HydrophobicContact CG-CD1 3.91Å; R186-L190 WeakPolarHBondContact O-CB 3.41Å; R186-L190 WeakPolarHBondContact O-CD1 3.48Å; R186-L190 WeakPolarHBondContact O-CG 3.45Å; R186-L190 PolarHBondContact O-N 2.95Å; R186-E221 IonicContact CZ-OE1 2.93Å; R186-E221 IonicContact NE-OE1 3.62Å; R186-E221 IonicContact NH1-OE1 2.69Å; R186-E221 PolarHBondContact NH1-OE1 2.94Å
187D89.9Confident88.9Confident96 Ų9662.9 Ų62.951%0.51332%0.318SS..Hα-helixtrans-76.3-31.5-172.2-55.6-22.2000112.2K185 T191K185-D187 PolarHBondContact O-N 2.85Å; D187-T191 VanDerWaalsContact O-CB 3.27Å; D187-T191 WeakPolarHBondContact O-CB 3.3Å; D187-T191 PolarHBondContact O-N 3.11Å; D187-T191 PolarHBondContact O-OG1 3.13Å
188E91.5Very high88.5Confident97 Ų9760.2 Ų60.245%0.45331%0.306SS..Hα-helixtrans-60.9-52.2170.9-176.7-162.9155.100110.3K185 L190 T191 N192K185-E188 VanDerWaalsContact NZ-CD 3.33Å; K185-E188 IonicContact NZ-OE1 2.66Å; K185-E188 PolarHBondContact NZ-OE1 3.2Å; K185-E188 VanDerWaalsContact NZ-OE1 3.11Å; K185-E188 IonicContact NZ-OE2 2.67Å; K185-E188 PolarHBondContact NZ-OE2 3.42Å; K185-E188 WeakPolarHBondContact O-CB 3.48Å; K185-E188 PolarHBondContact O-N 2.75Å; E188-L190 PolarHBondContact O-N 3.48Å; E188-T191 PolarHBondContact O-N 3.33Å; E188-N192 WeakPolarHBondContact O-CB 3.44Å; E188-N192 PolarHBondContact O-N 3Å; E188-N192 PolarHBondContact O-ND2 3.03Å
189I89.9Confident87.8Confident2 Ų259.5 Ų59.51%0.0131%0.305CS..Hα-helixtrans-60.7-47.7-179.2-69.7166.6000111.1F182 K185 R186 T191 N192 L193 Y207 I211 C213 I218F182-I189 HydrophobicContact CD2-CD1 4.28Å; K185-I189 HydrophobicContact CB-CD1 3.7Å; K185-I189 HydrophobicContact CB-CG1 4.07Å; K185-I189 WeakPolarHBondContact O-CG1 3.34Å; K185-I189 PolarHBondContact O-N 3.47Å; R186-I189 PolarHBondContact O-N 2.81Å; I189-T191 VanDerWaalsContact C-N 3.35Å; I189-T191 PolarHBondContact O-N 3.4Å; I189-N192 PolarHBondContact O-N 2.85Å; I189-L193 HydrophobicContact CG2-CD1 3.82Å; I189-L193 WeakPolarHBondContact O-CG 3.3Å; I189-L193 PolarHBondContact O-N 3.35Å; I189-Y207 HydrophobicContact CG2-CE1 4.08Å; I189-I211 HydrophobicContact CD1-CD1 3.75Å; I189-I211 HydrophobicContact CG1-CD1 3.7Å; I189-C213 HydrophobicContact CD1-CB 3.92Å; I189-I218 HydrophobicContact CG2-CD1 3.92Å; I189-I218 HydrophobicContact CG2-CG1 4.05Å
190L87.4Confident87.4Confident11 Ų1159.1 Ų59.16%0.05830%0.304CS..Hα-helixtrans-67.5-35.4-178.9-66.8167.8000112.2R186 E188 K194 E221 L222R186-L190 HydrophobicContact CG-CD1 3.91Å; R186-L190 WeakPolarHBondContact O-CB 3.41Å; R186-L190 WeakPolarHBondContact O-CD1 3.48Å; R186-L190 WeakPolarHBondContact O-CG 3.45Å; R186-L190 PolarHBondContact O-N 2.95Å; E188-L190 PolarHBondContact O-N 3.48Å; L190-K194 VanDerWaalsContact O-CB 3.25Å; L190-K194 WeakPolarHBondContact O-CB 3.33Å; L190-K194 WeakPolarHBondContact O-CD 3.35Å; L190-K194 WeakPolarHBondContact O-CG 3.5Å; L190-K194 PolarHBondContact O-N 3.26Å; L190-E221 HydrophobicContact CD1-CB 4.38Å; L190-E221 HydrophobicContact CD1-CG 3.78Å; L190-E221 HydrophobicContact CD2-CB 4.2Å; L190-E221 HydrophobicContact CD2-CG 4.47Å; L190-L222 HydrophobicContact CD2-CD2 3.71Å; L190-L222 HydrophobicContact CD2-CG 3.92Å
191T86.7Confident86.9Confident93 Ų9353.8 Ų53.857%0.57129%0.285SS*.Hα-helixtrans-67.6-45.1176.2-58.10000111D187 E188 I189 K194 S195D187-T191 VanDerWaalsContact O-CB 3.27Å; D187-T191 WeakPolarHBondContact O-CB 3.3Å; D187-T191 PolarHBondContact O-N 3.11Å; D187-T191 PolarHBondContact O-OG1 3.13Å; E188-T191 PolarHBondContact O-N 3.33Å; I189-T191 VanDerWaalsContact C-N 3.35Å; I189-T191 PolarHBondContact O-N 3.4Å; T191-K194 PolarHBondContact O-N 2.84Å; T191-S195 PolarHBondContact O-N 2.72Å
192N87.1Confident86.5Confident65 Ų6556.7 Ų56.735%0.34830%0.297SS..Hα-helixtrans-60-52.8177-69.5-21.9000111.2E188 I189 K194 S195 E196E188-N192 WeakPolarHBondContact O-CB 3.44Å; E188-N192 PolarHBondContact O-N 3Å; E188-N192 PolarHBondContact O-ND2 3.03Å; I189-N192 PolarHBondContact O-N 2.85Å; N192-K194 VanDerWaalsContact C-N 3.35Å; N192-K194 PolarHBondContact O-N 2.83Å; N192-S195 WeakPolarHBondContact O-CA 3.48Å; N192-S195 WeakPolarHBondContact O-CB 3.45Å; N192-S195 PolarHBondContact O-N 3.03Å; N192-S195 PolarHBondContact O-OG 3.36Å; N192-E196 PolarHBondContact O-N 3.31Å
193L85.2Confident86.2Confident1 Ų159.1 Ų59.11%0.00531%0.31CS..Hα-helixtrans-62-39.1179.9-69.7170.9000112.7I189 S195 E196 G197 V199 L204 Y207 I218 L222I189-L193 HydrophobicContact CG2-CD1 3.82Å; I189-L193 WeakPolarHBondContact O-CG 3.3Å; I189-L193 PolarHBondContact O-N 3.35Å; L193-S195 PolarHBondContact O-N 3.19Å; L193-E196 PolarHBondContact O-N 2.99Å; L193-G197 PolarHBondContact O-N 2.98Å; L193-V199 HydrophobicContact CB-CG2 4.45Å; L193-V199 HydrophobicContact CD2-CG1 4.33Å; L193-V199 HydrophobicContact CD2-CG2 4.17Å; L193-L204 HydrophobicContact CD1-CD2 4.29Å; L193-Y207 HydrophobicContact CD1-CD1 4.33Å; L193-Y207 HydrophobicContact CD1-CE1 4Å; L193-Y207 HydrophobicContact CD2-CD1 4.04Å; L193-Y207 HydrophobicContact CD2-CD2 3.7Å; L193-Y207 HydrophobicContact CD2-CE1 3.91Å; L193-Y207 HydrophobicContact CD2-CE2 3.55Å; L193-Y207 HydrophobicContact CD2-CG 3.94Å; L193-Y207 HydrophobicContact CG-CE1 4.02Å; L193-Y207 HydrophobicContact CG-CE2 4.23Å; L193-I218 HydrophobicContact CD1-CG2 3.43Å; L193-I218 VanDerWaalsContact CD1-CG2 3.43Å; L193-L222 HydrophobicContact CD1-CD1 4.4Å
194K79Confident86.1Confident93 Ų9356.1 Ų56.140%0.40429%0.294SS..Hα-helixtrans-63.3-20.1173.3-75.5170.2-178.7176.60113.4L190 T191 N192 D225L190-K194 VanDerWaalsContact O-CB 3.25Å; L190-K194 WeakPolarHBondContact O-CB 3.33Å; L190-K194 WeakPolarHBondContact O-CD 3.35Å; L190-K194 WeakPolarHBondContact O-CG 3.5Å; L190-K194 PolarHBondContact O-N 3.26Å; T191-K194 PolarHBondContact O-N 2.84Å; N192-K194 VanDerWaalsContact C-N 3.35Å; N192-K194 PolarHBondContact O-N 2.83Å; K194-D225 IonicContact NZ-OD2 3.11Å; K194-D225 PolarHBondContact NZ-OD2 2.87Å
195S78.4Confident86Confident92 Ų9253.1 Ų53.164%0.64327%0.273SS*.Hα-helixtrans-92.5-28.4175.276.90000114T191 N192 L193T191-S195 PolarHBondContact O-N 2.72Å; N192-S195 WeakPolarHBondContact O-CA 3.48Å; N192-S195 WeakPolarHBondContact O-CB 3.45Å; N192-S195 PolarHBondContact O-N 3.03Å; N192-S195 PolarHBondContact O-OG 3.36Å; L193-S195 PolarHBondContact O-N 3.19Å
196E76.7Confident86.1Confident131 Ų13153.7 Ų53.761%0.61228%0.28SS*.Hα-helixtrans-73.6-31.4176-70.3-179.6153.700112.1N192 L193N192-E196 PolarHBondContact O-N 3.31Å; L193-E196 PolarHBondContact O-N 2.99Å
197G79.7Confident86.1Confident11 Ų1150.4 Ų50.411%0.11327%0.268CS..  trans119.8-140.617000000113.8S135 L193 V199S135-G197 WeakPolarHBondContact O-CA 3.43Å; L193-G197 PolarHBondContact O-N 2.98Å; G197-V199 WeakPolarHBondContact O-CG2 3.46Å; G197-V199 PolarHBondContact O-N 3.06Å
198I84.9Confident86.2Confident12 Ų1245.9 Ų45.96%0.06224%0.244CC..  trans-77.8119.8178.7-59.7175.7000110.8I126 L129 K130 S135 V139I126-I198 HydrophobicContact CG2-CG2 3.68Å; L129-I198 HydrophobicContact CB-CD1 4.49Å; L129-I198 HydrophobicContact CD2-CD1 3.55Å; L129-I198 HydrophobicContact CG-CD1 3.63Å; K130-I198 WeakPolarHBondContact CE-O 3.39Å; S135-I198 WeakPolarHBondContact O-CG1 3.18Å; S135-I198 PolarHBondContact O-N 2.89Å; S135-I198 VanDerWaalsContact O-N 3.08Å; V139-I198 HydrophobicContact CB-CD1 4.28Å; V139-I198 HydrophobicContact CB-CG1 3.99Å; V139-I198 HydrophobicContact CB-CG2 4.1Å; V139-I198 HydrophobicContact CG1-CG2 4.19Å; V139-I198 HydrophobicContact CG2-CD1 3.71Å; V139-I198 HydrophobicContact CG2-CG1 3.84Å
199V82.2Confident86.3Confident17 Ų1745.4 Ų45.410%0.10324%0.241CC..  trans-109.1127.4-177.4-150.60000109.4V141 L193 G197 D203 L204V141-V199 WeakPolarHBondContact CG2-O 3.43Å; L193-V199 HydrophobicContact CB-CG2 4.45Å; L193-V199 HydrophobicContact CD2-CG1 4.33Å; L193-V199 HydrophobicContact CD2-CG2 4.17Å; G197-V199 WeakPolarHBondContact O-CG2 3.46Å; G197-V199 PolarHBondContact O-N 3.06Å; V199-D203 HydrophobicContact CG1-CB 3.47Å; V199-D203 VanDerWaalsContact CG1-CB 3.47Å; V199-L204 HydrophobicContact CB-CD2 4.26Å; V199-L204 HydrophobicContact CB-CG 4.19Å; V199-L204 HydrophobicContact CG1-CD2 3.82Å; V199-L204 HydrophobicContact CG1-CG 3.74Å
200D85.5Confident86.5Confident9 Ų953.8 Ų53.85%0.04828%0.278CS..  trans-94.2-174.2173.262.443.2000113.7I126 K130 E202 D203 L204I126-D200 HydrophobicContact CD1-CB 4.11Å; I126-D200 HydrophobicContact CG2-CB 4.07Å; K130-D200 IonicContact NZ-OD2 3.45Å; K130-D200 PolarHBondContact NZ-OD2 3.46Å; D200-E202 PolarHBondContact OD1-N 3.38Å; D200-D203 PolarHBondContact N-OD2 3.33Å; D200-D203 VanDerWaalsContact OD1-CG 3.24Å; D200-D203 PolarHBondContact OD1-N 3.43Å; D200-L204 VanDerWaalsContact O-CB 3.26Å; D200-L204 WeakPolarHBondContact O-CB 3.26Å; D200-L204 WeakPolarHBondContact O-CG 3.49Å; D200-L204 PolarHBondContact O-N 3.19Å
201I85.1Confident86.8Confident13 Ų1356.1 Ų56.17%0.06729%0.29CS..Hα-helixtrans-69.5-40.8-175.2-79.4169.9000110.7H119 V141 Q147 L148 S205H119-I201 WeakPolarHBondContact ND1-CD1 3.49Å; V141-I201 HydrophobicContact CB-CG1 4.28Å; V141-I201 HydrophobicContact CG1-CD1 3.78Å; V141-I201 HydrophobicContact CG1-CG1 3.8Å; Q147-I201 HydrophobicContact CB-CG2 4Å; L148-I201 HydrophobicContact CD2-CB 4.42Å; L148-I201 HydrophobicContact CD2-CG1 4.48Å; L148-I201 HydrophobicContact CD2-CG2 3.91Å; L148-I201 HydrophobicContact CG-CG2 4.44Å; I201-S205 WeakPolarHBondContact O-CB 3.43Å; I201-S205 PolarHBondContact O-N 3.2Å
202E85.8Confident87.2Confident102 Ų10257.1 Ų57.148%0.47729%0.286SS..Hα-helixtrans-65.4-48.1176.4-69.275.7-177.700110.4D200 S205 N206D200-E202 PolarHBondContact OD1-N 3.38Å; E202-S205 PolarHBondContact O-N 2.88Å; E202-N206 WeakPolarHBondContact O-CB 3.43Å; E202-N206 PolarHBondContact O-N 3.16Å; E202-N206 PolarHBondContact O-ND2 3.22Å
203D88.1Confident87.6Confident57 Ų5754.1 Ų54.131%0.30527%0.27SS..Hα-helixtrans-56-50.8172-68.1-31.5000112.3K130 V199 D200 S205 N206 Y207K130-D203 IonicContact NZ-OD1 2.83Å; K130-D203 IonicContact NZ-OD2 3.78Å; K130-D203 PolarHBondContact NZ-OD2 3.34Å; V199-D203 HydrophobicContact CG1-CB 3.47Å; V199-D203 VanDerWaalsContact CG1-CB 3.47Å; D200-D203 PolarHBondContact N-OD2 3.33Å; D200-D203 VanDerWaalsContact OD1-CG 3.24Å; D200-D203 PolarHBondContact OD1-N 3.43Å; D203-S205 VanDerWaalsContact C-N 3.27Å; D203-S205 PolarHBondContact O-N 3.23Å; D203-N206 PolarHBondContact O-N 3.19Å; D203-Y207 VanDerWaalsContact O-CB 3.26Å; D203-Y207 WeakPolarHBondContact O-CB 3.25Å; D203-Y207 PolarHBondContact O-N 3.01Å
204L90.7Very high88.1Confident1 Ų154.5 Ų54.51%0.00527%0.273CS..Hα-helixtrans-60.8-37.2-179.8-79171.5000112L148 L193 V199 D200 G208 P215 I218 L222L148-L204 HydrophobicContact CD2-CB 4.25Å; L193-L204 HydrophobicContact CD1-CD2 4.29Å; V199-L204 HydrophobicContact CB-CD2 4.26Å; V199-L204 HydrophobicContact CB-CG 4.19Å; V199-L204 HydrophobicContact CG1-CD2 3.82Å; V199-L204 HydrophobicContact CG1-CG 3.74Å; D200-L204 VanDerWaalsContact O-CB 3.26Å; D200-L204 WeakPolarHBondContact O-CB 3.26Å; D200-L204 WeakPolarHBondContact O-CG 3.49Å; D200-L204 PolarHBondContact O-N 3.19Å; L204-G208 PolarHBondContact O-N 2.93Å; L204-P215 HydrophobicContact CB-CB 4.42Å; L204-P215 WeakPolarHBondContact O-CB 3.43Å; L204-I218 HydrophobicContact CD2-CB 4.49Å; L204-I218 HydrophobicContact CD2-CG2 3.63Å; L204-L222 HydrophobicContact CD2-CD1 4.06Å
205S91.2Very high88.8Confident25 Ų2550 Ų5018%0.17525%0.253CS..Hα-helixtrans-66.5-50.6176.3-162.40000111.2I201 E202 D203 Y207 G208 Q209I201-S205 WeakPolarHBondContact O-CB 3.43Å; I201-S205 PolarHBondContact O-N 3.2Å; E202-S205 PolarHBondContact O-N 2.88Å; D203-S205 VanDerWaalsContact C-N 3.27Å; D203-S205 PolarHBondContact O-N 3.23Å; S205-Y207 PolarHBondContact O-N 2.73Å; S205-G208 PolarHBondContact O-N 3.05Å; S205-Q209 WeakPolarHBondContact O-CB 3.33Å; S205-Q209 PolarHBondContact O-N 3.04Å
206N91.9Very high89.5Confident101 Ų10145.9 Ų45.954%0.5422%0.224SC..Hα-helixtrans-58.8-44.3176.6-69.3-34.3000112E202 D203 Q209 K210E202-N206 WeakPolarHBondContact O-CB 3.43Å; E202-N206 PolarHBondContact O-N 3.16Å; E202-N206 PolarHBondContact O-ND2 3.22Å; D203-N206 PolarHBondContact O-N 3.19Å; N206-Q209 PolarHBondContact O-N 3.44Å; N206-K210 WeakPolarHBondContact O-CB 3.42Å; N206-K210 PolarHBondContact O-N 3.4Å
207Y91.4Very high90.2Very high30 Ų3041 Ų4112%0.11820%0.2CC..Hα-helixtrans-62.5-51.5177.4-175.8-85.6000111.3I189 L193 D203 S205 Q209 K210 I211I189-Y207 HydrophobicContact CG2-CE1 4.08Å; L193-Y207 HydrophobicContact CD1-CD1 4.33Å; L193-Y207 HydrophobicContact CD1-CE1 4Å; L193-Y207 HydrophobicContact CD2-CD1 4.04Å; L193-Y207 HydrophobicContact CD2-CD2 3.7Å; L193-Y207 HydrophobicContact CD2-CE1 3.91Å; L193-Y207 HydrophobicContact CD2-CE2 3.55Å; L193-Y207 HydrophobicContact CD2-CG 3.94Å; L193-Y207 HydrophobicContact CG-CE1 4.02Å; L193-Y207 HydrophobicContact CG-CE2 4.23Å; D203-Y207 VanDerWaalsContact O-CB 3.26Å; D203-Y207 WeakPolarHBondContact O-CB 3.25Å; D203-Y207 PolarHBondContact O-N 3.01Å; S205-Y207 PolarHBondContact O-N 2.73Å; Y207-Q209 VanDerWaalsContact C-N 3.28Å; Y207-Q209 PolarHBondContact O-N 2.89Å; Y207-K210 WeakPolarHBondContact O-CB 3.34Å; Y207-K210 PolarHBondContact O-N 3.07Å; Y207-K210 VanDerWaalsContact O-N 3.14Å; Y207-I211 HydrophobicContact CD1-CD1 4.03Å; Y207-I211 HydrophobicContact CD1-CG1 4.03Å; Y207-I211 HydrophobicContact CE1-CD1 3.37Å; Y207-I211 HydrophobicContact CE1-CG1 3.86Å; Y207-I211 WeakPolarHBondContact O-CG1 3.3Å; Y207-I211 PolarHBondContact O-N 3.14Å
208G92.8Very high90.8Very high0 Ų040.4 Ų40.40%020%0.195CC..Hα-helixtrans-63.1-31.8178.500000113.4L204 S205 K212 C213L204-G208 PolarHBondContact O-N 2.93Å; S205-G208 PolarHBondContact O-N 3.05Å; G208-K212 CarbonylContact O-C 3.57Å; G208-K212 WeakPolarHBondContact O-CA 3.1Å; G208-K212 PolarHBondContact O-N 3.45Å; G208-C213 CarbonylContact C-O 3.39Å; G208-C213 WeakPolarHBondContact CA-O 3.41Å; G208-C213 PolarHBondContact O-N 2.96Å
209Q93.7Very high91.1Very high87 Ų8740 Ų4041%0.40719%0.193SC..Hα-helixtrans-68.2-45.6171.8-170.2178.32.400111.4L150 S205 N206 Y207 I211 K212L150-Q209 HydrophobicContact CD1-CB 4.04Å; S205-Q209 WeakPolarHBondContact O-CB 3.33Å; S205-Q209 PolarHBondContact O-N 3.04Å; N206-Q209 PolarHBondContact O-N 3.44Å; Y207-Q209 VanDerWaalsContact C-N 3.28Å; Y207-Q209 PolarHBondContact O-N 2.89Å; Q209-I211 PolarHBondContact O-N 2.98Å; Q209-K212 PolarHBondContact O-N 3.3Å
210K93.8Very high91.4Very high179 Ų17943 Ų4378%0.77820%0.202SC*.Hα-helixtrans-59.9-42.2177.7-179.3-175.9176.2-172.30112.8N206 Y207N206-K210 WeakPolarHBondContact O-CB 3.42Å; N206-K210 PolarHBondContact O-N 3.4Å; Y207-K210 WeakPolarHBondContact O-CB 3.34Å; Y207-K210 PolarHBondContact O-N 3.07Å; Y207-K210 VanDerWaalsContact O-N 3.14Å
211I92.8Very high91.5Very high59 Ų5945.1 Ų45.130%0.30321%0.212SC..THydrogen-bonded Turntrans-101.47.8-178.672.1153.5000114.5I189 Y207 Q209 C213I189-I211 HydrophobicContact CD1-CD1 3.75Å; I189-I211 HydrophobicContact CG1-CD1 3.7Å; Y207-I211 HydrophobicContact CD1-CD1 4.03Å; Y207-I211 HydrophobicContact CD1-CG1 4.03Å; Y207-I211 HydrophobicContact CE1-CD1 3.37Å; Y207-I211 HydrophobicContact CE1-CG1 3.86Å; Y207-I211 WeakPolarHBondContact O-CG1 3.3Å; Y207-I211 PolarHBondContact O-N 3.14Å; Q209-I211 PolarHBondContact O-N 2.98Å; I211-C213 VanDerWaalsContact C-N 3.3Å; I211-C213 HydrophobicContact CD1-CB 3.71Å; I211-C213 HydrophobicContact CG1-CB 3.84Å; I211-C213 PolarHBondContact O-N 2.66Å; I211-C213 PolarHBondContact O-SG 3.22Å
212K94.7Very high91.5Very high115 Ų11545 Ų4550%0.521%0.212SC..THydrogen-bonded Turntrans48.842.9-175-64.1-166.3170.7-161.40114.8N181 G208 Q209N181-K212 VanDerWaalsContact CB-O 3.3Å; N181-K212 WeakPolarHBondContact CB-O 3.07Å; N181-K212 PolarHBondContact ND2-O 3.35Å; G208-K212 CarbonylContact O-C 3.57Å; G208-K212 WeakPolarHBondContact O-CA 3.1Å; G208-K212 PolarHBondContact O-N 3.45Å; Q209-K212 PolarHBondContact O-N 3.3Å
213C95.4Very high91.6Very high1 Ų141.4 Ų41.41%0.00719%0.194CC..  trans-122.2155.5178.3-64.50000111Y178 N181 F182 I189 G208 I211 P215 I218Y178-C213 CarbonylContact O-C 3.46Å; Y178-C213 WeakPolarHBondContact O-CA 3.37Å; N181-C213 VanDerWaalsContact C-SG 3.57Å; F182-C213 HydrophobicContact CB-CB 4.18Å; I189-C213 HydrophobicContact CD1-CB 3.92Å; G208-C213 CarbonylContact C-O 3.39Å; G208-C213 WeakPolarHBondContact CA-O 3.41Å; G208-C213 PolarHBondContact O-N 2.96Å; I211-C213 VanDerWaalsContact C-N 3.3Å; I211-C213 HydrophobicContact CD1-CB 3.71Å; I211-C213 HydrophobicContact CG1-CB 3.84Å; I211-C213 PolarHBondContact O-N 2.66Å; I211-C213 PolarHBondContact O-SG 3.22Å; C213-P215 WeakPolarHBondContact O-CD 3.49Å; C213-I218 HydrophobicContact CB-CD1 4.31Å
214C95.7Very high91.3Very high9 Ų942.3 Ų42.36%0.06120%0.202CC..  trans-79.9111-167.8-168.10000113.8Y178 Y216 F217 I218Y178-C214 WeakPolarHBondContact O-CB 3.47Å; Y178-C214 PolarHBondContact O-N 3.47Å; C214-Y216 VanDerWaalsContact C-N 3.25Å; C214-Y216 PolarHBondContact O-N 3.4Å; C214-F217 HydrophobicContact CB-CB 4.49Å; C214-F217 HydrophobicContact CB-CD2 4.43Å; C214-F217 PolarHBondContact O-N 2.84Å; C214-I218 WeakPolarHBondContact O-CG1 3.44Å; C214-I218 PolarHBondContact O-N 2.96Å; C214-I218 VanDerWaalsContact O-N 3.16Å
215P94.8Very high90.6Very high0 Ų046.5 Ų46.50%022%0.224CC..Hα-helixtrans-58.9-36.4179.9-20.931.8000112.9L148 L150 L204 C213 F217 I218 S219L148-P215 HydrophobicContact CB-CB 4.04Å; L148-P215 HydrophobicContact CD2-CB 3.77Å; L148-P215 HydrophobicContact CG-CB 4.45Å; L148-P215 WeakPolarHBondContact O-CD 3.29Å; L150-P215 HydrophobicContact CD1-CG 3.69Å; L150-P215 HydrophobicContact CD2-CG 4.42Å; L150-P215 HydrophobicContact CG-CG 3.91Å; L204-P215 HydrophobicContact CB-CB 4.42Å; L204-P215 WeakPolarHBondContact O-CB 3.43Å; C213-P215 WeakPolarHBondContact O-CD 3.49Å; P215-F217 PolarHBondContact O-N 3.39Å; P215-I218 PolarHBondContact O-N 3.42Å; P215-S219 WeakPolarHBondContact O-CB 3.26Å; P215-S219 PolarHBondContact O-N 2.61Å
216Y93.2Very high90.3Very high4 Ų445.3 Ų45.32%0.01622%0.216CC..Hα-helixtrans-62.9-38.1-179176.5-93.7000113.2R145 L148 C214 R220 Y245R145-Y216 HydrophobicContact CG-CD2 3.78Å; R145-Y216 HydrophobicContact CG-CE2 3.72Å; R145-Y216 HydrophobicContact CG-CG 4.2Å; R145-Y216 VanDerWaalsContact CZ-CZ 3.41Å; R145-Y216 VanDerWaalsContact NH1-CZ 3.26Å; R145-Y216 PolarHBondContact NH1-OH 2.97Å; R145-Y216 PolarHBondContact NH2-OH 2.85Å; L148-Y216 HydrophobicContact CB-CD2 4.5Å; L148-Y216 PolarHBondContact O-N 2.82Å; C214-Y216 VanDerWaalsContact C-N 3.25Å; C214-Y216 PolarHBondContact O-N 3.4Å; Y216-R220 VanDerWaalsContact CE1-CD 3.48Å; Y216-R220 HydrophobicContact CE1-CG 4.47Å; Y216-R220 WeakPolarHBondContact O-CG 3.48Å; Y216-R220 PolarHBondContact O-N 2.91Å; Y216-Y245 AromaticContact CE2-CE1 3.91Å; Y216-Y245 HydrophobicContact CE2-CE1 3.91Å
217F91.9Very high90Very high28 Ų2842.4 Ų42.412%0.12320%0.204CC..Hα-helixtrans-81-35.3177.1-81.8-89.9000112.1V171 F179 F182 C214 P215 S219 R220 E221V171-F217 HydrophobicContact CG1-CZ 4.18Å; V171-F217 HydrophobicContact CG2-CE2 3.63Å; V171-F217 HydrophobicContact CG2-CZ 3.72Å; F179-F217 HydrophobicContact CD2-CB 4.41Å; F179-F217 HydrophobicContact CD2-CD1 4.05Å; F179-F217 AromaticContact CD2-CD2 3.68Å; F179-F217 HydrophobicContact CD2-CD2 3.68Å; F179-F217 HydrophobicContact CD2-CE1 4.21Å; F179-F217 AromaticContact CD2-CE2 3.86Å; F179-F217 HydrophobicContact CD2-CE2 3.86Å; F179-F217 AromaticContact CD2-CG 3.78Å; F179-F217 HydrophobicContact CD2-CG 3.78Å; F179-F217 HydrophobicContact CD2-CZ 4.13Å; F179-F217 AromaticContact CE2-CD1 3.83Å; F179-F217 HydrophobicContact CE2-CD1 3.83Å; F179-F217 HydrophobicContact CE2-CD2 4.3Å; F179-F217 AromaticContact CE2-CE1 3.91Å; F179-F217 HydrophobicContact CE2-CE1 3.91Å; F179-F217 HydrophobicContact CE2-CE2 4.39Å; F179-F217 HydrophobicContact CE2-CG 4.03Å; F179-F217 HydrophobicContact CE2-CZ 4.2Å; F182-F217 HydrophobicContact CD1-CB 3.71Å; F182-F217 HydrophobicContact CE1-CB 3.62Å; F182-F217 HydrophobicContact CG-CB 4.38Å; F182-F217 HydrophobicContact CZ-CB 4.21Å; C214-F217 HydrophobicContact CB-CB 4.49Å; C214-F217 HydrophobicContact CB-CD2 4.43Å; C214-F217 PolarHBondContact O-N 2.84Å; P215-F217 PolarHBondContact O-N 3.39Å; F217-S219 PolarHBondContact O-N 2.86Å; F217-R220 PolarHBondContact O-N 2.93Å; F217-E221 PolarHBondContact O-N 3.46Å
218I92.3Very high90.1Very high0 Ų041 Ų410%020%0.198CC..Hα-helixtrans-56.4-49.3170.9-63.9165.8000110.6F182 I189 L193 L204 C213 C214 P215 R220 E221 L222F182-I218 HydrophobicContact CD2-CD1 4.25Å; F182-I218 HydrophobicContact CD2-CG1 3.37Å; F182-I218 HydrophobicContact CE2-CB 4.3Å; F182-I218 HydrophobicContact CE2-CG1 3.55Å; F182-I218 HydrophobicContact CG-CG1 4.33Å; I189-I218 HydrophobicContact CG2-CD1 3.92Å; I189-I218 HydrophobicContact CG2-CG1 4.05Å; L193-I218 HydrophobicContact CD1-CG2 3.43Å; L193-I218 VanDerWaalsContact CD1-CG2 3.43Å; L204-I218 HydrophobicContact CD2-CB 4.49Å; L204-I218 HydrophobicContact CD2-CG2 3.63Å; C213-I218 HydrophobicContact CB-CD1 4.31Å; C214-I218 WeakPolarHBondContact O-CG1 3.44Å; C214-I218 PolarHBondContact O-N 2.96Å; C214-I218 VanDerWaalsContact O-N 3.16Å; P215-I218 PolarHBondContact O-N 3.42Å; I218-R220 VanDerWaalsContact C-N 3.33Å; I218-R220 PolarHBondContact O-N 2.86Å; I218-E221 PolarHBondContact O-N 3.5Å; I218-L222 HydrophobicContact CG2-CD1 3.82Å; I218-L222 HydrophobicContact CG2-CG 4.31Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 3.32Å
219S90.4Very high90.1Very high2 Ų241.5 Ų41.51%0.01420%0.201CC..Hα-helixtrans-55.5-43.1175.7167.60000112.7V141 P215 F217 K223V141-S219 PolarHBondContact O-OG 3.15Å; P215-S219 WeakPolarHBondContact O-CB 3.26Å; P215-S219 PolarHBondContact O-N 2.61Å; F217-S219 PolarHBondContact O-N 2.86Å; S219-K223 WeakPolarHBondContact O-CB 3.33Å; S219-K223 PolarHBondContact O-N 2.88Å
220R87.4Confident90.1Very high80 Ų8037.4 Ų37.430%0.30218%0.181SC..Hα-helixtrans-69.2-35.1-179.9-74.5-178.675.4-136.52113.6Y216 F217 I218 K223Y216-R220 VanDerWaalsContact CE1-CD 3.48Å; Y216-R220 HydrophobicContact CE1-CG 4.47Å; Y216-R220 WeakPolarHBondContact O-CG 3.48Å; Y216-R220 PolarHBondContact O-N 2.91Å; F217-R220 PolarHBondContact O-N 2.93Å; I218-R220 VanDerWaalsContact C-N 3.33Å; I218-R220 PolarHBondContact O-N 2.86Å; R220-K223 WeakPolarHBondContact O-CB 3.42Å
221E88Confident90.1Very high54 Ų5428.9 Ų28.925%0.25214%0.144SC..Hα-helixtrans-78.9-40.1179.6-151.178.4157.400110.9F182 R186 L190 F217 I218 K223 T224F182-E221 HydrophobicContact CZ-CB 4.18Å; R186-E221 IonicContact CZ-OE1 2.93Å; R186-E221 IonicContact NE-OE1 3.62Å; R186-E221 IonicContact NH1-OE1 2.69Å; R186-E221 PolarHBondContact NH1-OE1 2.94Å; L190-E221 HydrophobicContact CD1-CB 4.38Å; L190-E221 HydrophobicContact CD1-CG 3.78Å; L190-E221 HydrophobicContact CD2-CB 4.2Å; L190-E221 HydrophobicContact CD2-CG 4.47Å; F217-E221 PolarHBondContact O-N 3.46Å; I218-E221 PolarHBondContact O-N 3.5Å; E221-K223 PolarHBondContact O-N 3.46Å; E221-K223 VanDerWaalsContact O-N 3.13Å; E221-T224 PolarHBondContact O-N 2.87Å; E221-T224 PolarHBondContact O-OG1 2.8Å
222L86.5Confident90.1Very high12 Ų1226.2 Ų26.26%0.06313%0.131CC..Hα-helixtrans-57.2-30.7171-70.2172.3000112.4L190 L193 L204 I218 T224 D225 S226L190-L222 HydrophobicContact CD2-CD2 3.71Å; L190-L222 HydrophobicContact CD2-CG 3.92Å; L193-L222 HydrophobicContact CD1-CD1 4.4Å; L204-L222 HydrophobicContact CD2-CD1 4.06Å; I218-L222 HydrophobicContact CG2-CD1 3.82Å; I218-L222 HydrophobicContact CG2-CG 4.31Å; I218-L222 WeakPolarHBondContact O-CG 3.29Å; I218-L222 PolarHBondContact O-N 3.32Å; L222-T224 PolarHBondContact O-N 2.88Å; L222-D225 PolarHBondContact O-N 2.65Å; L222-S226 WeakPolarHBondContact O-CB 3.41Å; L222-S226 PolarHBondContact O-N 2.75Å; L222-S226 PolarHBondContact O-OG 2.96Å
223K86.9Confident90Very high25 Ų2521 Ų2111%0.10911%0.108CC..Hα-helixtrans-68.3-25.8176.8-163.4-150.869.5165.80114.2K111 S140 V142 S219 R220 E221 D225 I229 Y245 N246K111-K223 PolarHBondContact NZ-O 3.09Å; S140-K223 WeakPolarHBondContact OG-CA 3.47Å; V142-K223 HydrophobicContact CG2-CD 3.71Å; V142-K223 HydrophobicContact CG2-CG 3.85Å; S219-K223 WeakPolarHBondContact O-CB 3.33Å; S219-K223 PolarHBondContact O-N 2.88Å; R220-K223 WeakPolarHBondContact O-CB 3.42Å; E221-K223 PolarHBondContact O-N 3.46Å; E221-K223 VanDerWaalsContact O-N 3.13Å; K223-D225 VanDerWaalsContact C-N 3.34Å; K223-I229 HydrophobicContact CG-CD1 4.04Å; K223-I229 HydrophobicContact CG-CG1 4.24Å; K223-I229 HydrophobicContact CG-CG2 3.97Å; K223-Y245 PolarHBondContact NZ-O 2.72Å; K223-N246 PolarHBondContact NZ-O 3.19Å
224T81Confident89.7Confident77 Ų7724.3 Ų24.347%0.47213%0.126SC..Hα-helixtrans-68.8-39.2177.557.70000110.8K111 E221 L222K111-T224 PolarHBondContact NZ-O 3.43Å; E221-T224 PolarHBondContact O-N 2.87Å; E221-T224 PolarHBondContact O-OG1 2.8Å; L222-T224 PolarHBondContact O-N 2.88Å
225D77.1Confident89.5Confident89 Ų8924.5 Ų24.548%0.47613%0.126SC..Hα-helixtrans-92.9-30.6-170.4-62.610000112.6K194 L222 K223K194-D225 IonicContact NZ-OD2 3.11Å; K194-D225 PolarHBondContact NZ-OD2 2.87Å; L222-D225 PolarHBondContact O-N 2.65Å; K223-D225 VanDerWaalsContact C-N 3.34Å
226S84.8Confident89.5Confident0 Ų024.5 Ų24.50%013%0.126CC..  trans-63.1136.7-177.763.10000112.6K111 S138 S140 L222 I229K111-S226 PolarHBondContact NZ-O 2.85Å; S138-S226 WeakPolarHBondContact O-CA 3.21Å; S138-S226 VanDerWaalsContact O-CB 3.31Å; S138-S226 WeakPolarHBondContact O-CB 3.45Å; S140-S226 WeakPolarHBondContact CB-OG 3.38Å; S140-S226 PolarHBondContact OG-OG 3.49Å; L222-S226 WeakPolarHBondContact O-CB 3.41Å; L222-S226 PolarHBondContact O-N 2.75Å; L222-S226 PolarHBondContact O-OG 2.96Å; S226-I229 WeakPolarHBondContact OG-CG1 3.36Å
227S86.1Confident89.4Confident40 Ų4024.3 Ų24.328%0.2813%0.125SC..SBendtrans-84.1-24.7171.354.30000112.9K111 I112K111-S227 WeakPolarHBondContact CA-O 3.28Å; I112-S227 PolarHBondContact N-O 2.97Å
228L92.3Very high89.1Confident1 Ų123.7 Ų23.71%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-116.6123.3172.9179.762.7000110.3L53 L57 L60 I112 L129 V139 S140 F230L53-L228 HydrophobicContact CD2-CD2 4.03Å; L57-L228 HydrophobicContact CD1-CD2 4Å; L57-L228 HydrophobicContact CD2-CB 4.34Å; L57-L228 HydrophobicContact CD2-CD2 3.85Å; L57-L228 HydrophobicContact CG-CD2 4.05Å; L60-L228 HydrophobicContact CD1-CB 4.47Å; I112-L228 HydrophobicContact CB-CD1 3.9Å; I112-L228 HydrophobicContact CG2-CD1 3.69Å; I112-L228 WeakPolarHBondContact O-CA 3.39Å; L129-L228 HydrophobicContact CD2-CD2 4.43Å; V139-L228 WeakPolarHBondContact CA-O 3.22Å; V139-L228 HydrophobicContact CG2-CB 4.34Å; V139-L228 HydrophobicContact CG2-CD2 4.15Å; S140-L228 PolarHBondContact N-O 3.27Å; S140-L228 VanDerWaalsContact N-O 3.07Å; L228-F230 HydrophobicContact CD2-CE2 3.66Å; L228-F230 HydrophobicContact CD2-CZ 4.19Å; L228-F230 HydrophobicContact CG-CD2 4.34Å; L228-F230 HydrophobicContact CG-CE2 3.83Å
229I93.3Very high88.6Confident10 Ų1025.6 Ų25.65%0.05114%0.135CC..EExtended strand (participates in β ladder)trans-121122.9-177-55.4162.9000109.8K111 I112 I113 Y114 V142 K223 S226 M231K111-I229 HydrophobicContact CD-CD1 4.12Å; I112-I229 PolarHBondContact O-N 2.73Å; I113-I229 CarbonylContact C-O 3.42Å; I113-I229 WeakPolarHBondContact CA-O 3.34Å; I113-I229 HydrophobicContact CG1-CB 4.34Å; I113-I229 HydrophobicContact CG1-CD1 4.44Å; Y114-I229 PolarHBondContact N-O 3.34Å; V142-I229 HydrophobicContact CG2-CG2 3.78Å; K223-I229 HydrophobicContact CG-CD1 4.04Å; K223-I229 HydrophobicContact CG-CG1 4.24Å; K223-I229 HydrophobicContact CG-CG2 3.97Å; S226-I229 WeakPolarHBondContact OG-CG1 3.36Å; I229-M231 HydrophobicContact CB-CE 4.26Å; I229-M231 HydrophobicContact CG2-CE 3.42Å; I229-M231 VanDerWaalsContact CG2-CE 3.42Å
230F94.4Very high88Confident0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-92.8127.2172.3-73.4-104.3000110.7L53 Y114 L122 A125 I126 L129 V139 S140 V141 V142 L228L53-F230 HydrophobicContact CD1-CZ 4.23Å; L53-F230 HydrophobicContact CD2-CE1 4.35Å; L53-F230 HydrophobicContact CD2-CZ 3.69Å; Y114-F230 AromaticContact CD1-CD1 3.58Å; Y114-F230 HydrophobicContact CD1-CD1 3.58Å; Y114-F230 AromaticContact CD1-CE1 3.53Å; Y114-F230 HydrophobicContact CD1-CE1 3.53Å; Y114-F230 HydrophobicContact CD2-CE1 4.16Å; Y114-F230 HydrophobicContact CD2-CZ 4.48Å; Y114-F230 HydrophobicContact CE1-CD1 4.36Å; Y114-F230 HydrophobicContact CE1-CE1 4.05Å; Y114-F230 AromaticContact CG-CD1 3.85Å; Y114-F230 HydrophobicContact CG-CD1 3.85Å; Y114-F230 AromaticContact CG-CE1 3.59Å; Y114-F230 HydrophobicContact CG-CE1 3.59Å; Y114-F230 HydrophobicContact CG-CZ 4.19Å; Y114-F230 WeakPolarHBondContact O-CA 3.48Å; L122-F230 HydrophobicContact CB-CD1 4.43Å; L122-F230 HydrophobicContact CD2-CB 4.31Å; L122-F230 HydrophobicContact CD2-CD1 4.02Å; A125-F230 HydrophobicContact CB-CE1 3.89Å; I126-F230 HydrophobicContact CD1-CB 4.45Å; I126-F230 HydrophobicContact CD1-CD1 4.34Å; I126-F230 HydrophobicContact CD1-CG 4.27Å; I126-F230 HydrophobicContact CG1-CD1 4.03Å; I126-F230 HydrophobicContact CG1-CD2 4.34Å; I126-F230 HydrophobicContact CG1-CE1 4.07Å; I126-F230 HydrophobicContact CG1-CE2 4.38Å; I126-F230 HydrophobicContact CG1-CG 4.17Å; I126-F230 HydrophobicContact CG1-CZ 4.24Å; L129-F230 HydrophobicContact CD2-CE2 4.42Å; L129-F230 HydrophobicContact CD2-CZ 4.29Å; V139-F230 HydrophobicContact CG1-CD2 3.42Å; V139-F230 VanDerWaalsContact CG1-CD2 3.42Å; V139-F230 HydrophobicContact CG1-CE2 3.42Å; V139-F230 VanDerWaalsContact CG1-CE2 3.42Å; S140-F230 PolarHBondContact O-N 3.49Å; V141-F230 WeakPolarHBondContact CA-O 3.42Å; V141-F230 HydrophobicContact CB-CB 4.5Å; V141-F230 HydrophobicContact CG1-CB 4.13Å; V141-F230 HydrophobicContact CG2-CB 4.31Å; V142-F230 PolarHBondContact N-O 3.27Å; L228-F230 HydrophobicContact CD2-CE2 3.66Å; L228-F230 HydrophobicContact CD2-CZ 4.19Å; L228-F230 HydrophobicContact CG-CD2 4.34Å; L228-F230 HydrophobicContact CG-CE2 3.83Å
231M93.3Very high87.7Confident0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-153.1158.6175.666.9-178.572.500112.5I113 Y114 A115 S116 L122 V142 I229 Y235 V236 I247I113-M231 HydrophobicContact CD1-CE 3.9Å; I113-M231 HydrophobicContact CD1-SD 4.48Å; I113-M231 HydrophobicContact CG1-CE 4.06Å; I113-M231 HydrophobicContact CG2-CE 3.87Å; I113-M231 HydrophobicContact CG2-CG 3.78Å; I113-M231 HydrophobicContact CG2-SD 3.87Å; Y114-M231 PolarHBondContact O-N 3.04Å; A115-M231 VanDerWaalsContact CA-O 3.3Å; A115-M231 WeakPolarHBondContact CA-O 3.42Å; S116-M231 PolarHBondContact N-O 3.34Å; L122-M231 VanDerWaalsContact CD1-C 3.49Å; V142-M231 HydrophobicContact CB-CB 4.15Å; V142-M231 HydrophobicContact CG2-CB 4.5Å; V142-M231 HydrophobicContact CG2-CE 4.4Å; I229-M231 HydrophobicContact CB-CE 4.26Å; I229-M231 HydrophobicContact CG2-CE 3.42Å; I229-M231 VanDerWaalsContact CG2-CE 3.42Å; M231-Y235 HydrophobicContact CB-CG 4.47Å; M231-V236 HydrophobicContact CG-CG2 3.77Å; M231-V236 HydrophobicContact SD-CG2 3.54Å; M231-V236 VanDerWaalsContact SD-CG2 3.54Å; M231-I247 HydrophobicContact CE-CD1 4.14Å; M231-I247 HydrophobicContact CE-CG2 4.18Å; M231-I247 HydrophobicContact SD-CD1 3.87Å; M231-I247 HydrophobicContact SD-CG2 4.45Å
232P92Very high87.7Confident3 Ų324.4 Ų24.42%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-70.8157175.3-17.428.8000113.8S116 H119 L122 N234 Y235S116-P232 CarbonylContact O-C 3.58Å; S116-P232 WeakPolarHBondContact O-CA 3.27Å; H119-P232 WeakPolarHBondContact CE1-CG 3.5Å; H119-P232 WeakPolarHBondContact NE2-CG 3.3Å; L122-P232 HydrophobicContact CD1-CG 4.2Å; P232-N234 VanDerWaalsContact C-N 3.27Å; P232-N234 WeakPolarHBondContact CB-OD1 3.19Å; P232-N234 PolarHBondContact O-N 2.72Å; P232-N234 VanDerWaalsContact O-N 3.13Å; P232-Y235 HydrophobicContact CB-CD2 3.99Å; P232-Y235 HydrophobicContact CB-CE2 4.37Å; P232-Y235 HydrophobicContact CG-CD2 3.8Å; P232-Y235 HydrophobicContact CG-CE2 3.82Å; P232-Y235 WeakPolarHBondContact O-CB 3.27Å; P232-Y235 PolarHBondContact O-N 2.88Å
233Y93.3Very high87.3Confident5 Ų528.1 Ų28.12%0.0216%0.156CC..Hα-helixtrans-47.1-43.3179.9-83.719.4000114.6A115 S116 R117 Y235 V236 L237 F256 D257 E258 A259 I262 V265A115-Y233 HydrophobicContact CB-CD1 3.88Å; A115-Y233 HydrophobicContact CB-CE1 4.22Å; S116-Y233 VanDerWaalsContact C-CE1 3.45Å; S116-Y233 WeakPolarHBondContact O-CD1 3.42Å; S116-Y233 PolarHBondContact O-N 2.88Å; R117-Y233 HydrophobicContact CG-CD2 4.29Å; R117-Y233 HydrophobicContact CG-CE2 3.99Å; Y233-Y235 VanDerWaalsContact C-N 3.3Å; Y233-Y235 PolarHBondContact O-N 3.44Å; Y233-V236 PolarHBondContact O-N 3.07Å; Y233-V236 VanDerWaalsContact O-N 3.11Å; Y233-L237 PolarHBondContact O-N 2.9Å; Y233-F256 AromaticContact CD1-CD1 3.71Å; Y233-F256 HydrophobicContact CD1-CD1 3.71Å; Y233-F256 HydrophobicContact CD1-CE1 4.33Å; Y233-F256 HydrophobicContact CD2-CD1 4.39Å; Y233-F256 HydrophobicContact CE1-CB 4.07Å; Y233-F256 AromaticContact CE1-CD1 3.67Å; Y233-F256 HydrophobicContact CE1-CD1 3.67Å; Y233-F256 HydrophobicContact CE1-CG 4.37Å; Y233-F256 HydrophobicContact CE2-CD1 4.36Å; Y233-F256 HydrophobicContact CG-CD1 4.1Å; Y233-F256 HydrophobicContact CG-CE1 4.43Å; Y233-D257 WeakPolarHBondContact CE1-O 3.42Å; Y233-D257 PolarHBondContact OH-O 3.24Å; Y233-E258 PolarHBondContact OH-O 3.02Å; Y233-A259 WeakPolarHBondContact OH-CA 3.28Å; Y233-A259 PolarHBondContact OH-N 3.25Å; Y233-A259 VanDerWaalsContact OH-N 3.11Å; Y233-I262 HydrophobicContact CD2-CD1 4.07Å; Y233-I262 HydrophobicContact CE2-CD1 3.83Å; Y233-V265 HydrophobicContact CD2-CB 4.37Å; Y233-V265 HydrophobicContact CD2-CG1 4.2Å; Y233-V265 HydrophobicContact CD2-CG2 4.24Å
234N89.8Confident86.7Confident72 Ų7230.6 Ų30.639%0.38517%0.171SC..Hα-helixtrans-68.7-26.3-177.765.5-36.5000112.8P232 V236 D238 I241P232-N234 VanDerWaalsContact C-N 3.27Å; P232-N234 WeakPolarHBondContact CB-OD1 3.19Å; P232-N234 PolarHBondContact O-N 2.72Å; P232-N234 VanDerWaalsContact O-N 3.13Å; N234-V236 PolarHBondContact O-N 3.12Å; N234-D238 WeakPolarHBondContact O-CB 3.39Å; N234-D238 PolarHBondContact O-N 3.36Å; N234-I241 HydrophobicContact CB-CD1 3.99Å; N234-I241 VanDerWaalsContact ND2-CD1 3.28Å; N234-I241 WeakPolarHBondContact ND2-CD1 3.48Å
235Y91.3Very high86.6Confident13 Ų1328 Ų285%0.05115%0.152CC..Hα-helixtrans-67.7-25.6172.6-73.5-112.6000112.5V142 S144 M231 P232 Y233 I241 R242 Y245 I247V142-Y235 HydrophobicContact CG1-CD1 3.91Å; V142-Y235 HydrophobicContact CG1-CE1 3.76Å; S144-Y235 WeakPolarHBondContact CB-OH 3.47Å; S144-Y235 PolarHBondContact N-OH 3.02Å; M231-Y235 HydrophobicContact CB-CG 4.47Å; P232-Y235 HydrophobicContact CB-CD2 3.99Å; P232-Y235 HydrophobicContact CB-CE2 4.37Å; P232-Y235 HydrophobicContact CG-CD2 3.8Å; P232-Y235 HydrophobicContact CG-CE2 3.82Å; P232-Y235 WeakPolarHBondContact O-CB 3.27Å; P232-Y235 PolarHBondContact O-N 2.88Å; Y233-Y235 VanDerWaalsContact C-N 3.3Å; Y233-Y235 PolarHBondContact O-N 3.44Å; Y235-I241 HydrophobicContact CD1-CG2 3.57Å; Y235-I241 HydrophobicContact CD2-CG2 4.12Å; Y235-I241 HydrophobicContact CE1-CG2 4.01Å; Y235-I241 HydrophobicContact CG-CG2 3.65Å; Y235-R242 VanDerWaalsContact O-CG 3.3Å; Y235-R242 WeakPolarHBondContact O-CG 3.32Å; Y235-Y245 HydrophobicContact CD1-CD1 4.42Å; Y235-Y245 HydrophobicContact CD1-CD2 4.02Å; Y235-Y245 HydrophobicContact CD1-CE2 4.27Å; Y235-Y245 HydrophobicContact CD1-CG 4.11Å; Y235-Y245 AromaticContact CE1-CD1 3.89Å; Y235-Y245 HydrophobicContact CE1-CD1 3.89Å; Y235-Y245 AromaticContact CE1-CD2 3.75Å; Y235-Y245 HydrophobicContact CE1-CD2 3.75Å; Y235-Y245 AromaticContact CE1-CE1 3.72Å; Y235-Y245 HydrophobicContact CE1-CE1 3.72Å; Y235-Y245 AromaticContact CE1-CE2 3.58Å; Y235-Y245 HydrophobicContact CE1-CE2 3.58Å; Y235-Y245 AromaticContact CE1-CG 3.91Å; Y235-Y245 HydrophobicContact CE1-CG 3.91Å; Y235-Y245 AromaticContact CE1-CZ 3.57Å; Y235-I247 HydrophobicContact CD1-CD1 4.25Å; Y235-I247 WeakPolarHBondContact O-CD1 3.15Å
236V93.7Very high86.9Confident0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-88.1-49.7175-176.40000111.1I113 A115 M231 Y233 N234 R242 V254 F256 L511I113-V236 HydrophobicContact CG2-CG2 3.78Å; A115-V236 HydrophobicContact CB-CG2 3.99Å; M231-V236 HydrophobicContact CG-CG2 3.77Å; M231-V236 HydrophobicContact SD-CG2 3.54Å; M231-V236 VanDerWaalsContact SD-CG2 3.54Å; Y233-V236 PolarHBondContact O-N 3.07Å; Y233-V236 VanDerWaalsContact O-N 3.11Å; N234-V236 PolarHBondContact O-N 3.12Å; V236-R242 VanDerWaalsContact O-CD 3.31Å; V236-R242 WeakPolarHBondContact O-CD 3.19Å; V236-R242 PolarHBondContact O-NH1 3.13Å; V236-V254 HydrophobicContact CG1-CG1 3.73Å; V236-V254 HydrophobicContact CG1-CG2 4.42Å; V236-F256 HydrophobicContact CB-CE1 4.25Å; V236-F256 HydrophobicContact CB-CZ 4.3Å; V236-F256 HydrophobicContact CG1-CE1 4.19Å; V236-F256 HydrophobicContact CG1-CZ 3.75Å; V236-L511 HydrophobicContact CG1-CD1 4.48Å; V236-L511 HydrophobicContact CG1-CD2 4.07Å; V236-L511 WeakPolarHBondContact O-CD2 3.32Å
237L92.3Very high87Confident0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-77.9-38-170.1-71.8166.2000113.4Y233 P239 R242 F256 I262 V265 A269 A507 I508 L511Y233-L237 PolarHBondContact O-N 2.9Å; L237-P239 WeakPolarHBondContact O-CD 3.45Å; L237-R242 VanDerWaalsContact C-NH1 3.27Å; L237-R242 PolarHBondContact O-NH1 2.88Å; L237-F256 HydrophobicContact CD1-CE1 4.1Å; L237-F256 HydrophobicContact CD2-CE1 4.34Å; L237-F256 HydrophobicContact CD2-CZ 3.94Å; L237-F256 HydrophobicContact CG-CE1 3.98Å; L237-F256 HydrophobicContact CG-CZ 4.04Å; L237-I262 HydrophobicContact CD1-CD1 3.98Å; L237-V265 HydrophobicContact CD1-CB 4.32Å; L237-V265 HydrophobicContact CD1-CG1 3.74Å; L237-A269 HydrophobicContact CB-CB 4.23Å; L237-A507 HydrophobicContact CD2-CB 4.22Å; L237-I508 HydrophobicContact CD2-CD1 4.41Å; L237-L511 HydrophobicContact CD2-CD1 3.97Å
238D85.7Confident87.1Confident14 Ų1433 Ų338%0.07518%0.176CC..  trans-81.3116.8-175.5-167.8-40.2000111.4N234 R240 I241 R242N234-D238 WeakPolarHBondContact O-CB 3.39Å; N234-D238 PolarHBondContact O-N 3.36Å; D238-R240 PolarHBondContact O-N 3.28Å; D238-R240 WeakPolarHBondContact OD1-CA 3.32Å; D238-R240 WeakPolarHBondContact OD1-CB 3.31Å; D238-R240 VanDerWaalsContact OD1-CG 3.28Å; D238-R240 WeakPolarHBondContact OD1-CG 3.47Å; D238-R240 IonicContact OD1-CZ 2.69Å; D238-R240 PolarHBondContact OD1-N 3.19Å; D238-R240 IonicContact OD1-NE 2.9Å; D238-R240 PolarHBondContact OD1-NE 3.44Å; D238-R240 IonicContact OD1-NH2 3.86Å; D238-R240 IonicContact OD2-CZ 3.44Å; D238-R240 VanDerWaalsContact OD2-CZ 3.31Å; D238-R240 IonicContact OD2-NE 2.95Å; D238-R240 PolarHBondContact OD2-NE 2.84Å; D238-R240 VanDerWaalsContact OD2-NE 3.1Å; D238-R240 IonicContact OD2-NH2 2.7Å; D238-R240 PolarHBondContact OD2-NH2 3.23Å; D238-I241 HydrophobicContact CB-CB 4.14Å; D238-I241 HydrophobicContact CB-CD1 3.93Å; D238-I241 HydrophobicContact CB-CG1 3.86Å; D238-I241 PolarHBondContact O-N 3.19Å; D238-R242 PolarHBondContact O-N 2.94Å
239P81.9Confident87Confident40 Ų4033 Ų3326%0.2618%0.176SC..Hα-helixtrans-58-30.2179-20.931.8000113.9L237 S243 Q510L237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-S243 PolarHBondContact O-N 2.7Å; P239-S243 PolarHBondContact O-OG 3.06Å; P239-Q510 VanDerWaalsContact CG-OE1 3.24Å
240R76.6Confident86.9Confident70 Ų7037.8 Ų37.826%0.26420%0.198SC..Hα-helixtrans-73.5-39.5-177.9-49.8167.6-76.2-157.8-5.2110.6D238 S243 L244 E426D238-R240 PolarHBondContact O-N 3.28Å; D238-R240 WeakPolarHBondContact OD1-CA 3.32Å; D238-R240 WeakPolarHBondContact OD1-CB 3.31Å; D238-R240 VanDerWaalsContact OD1-CG 3.28Å; D238-R240 WeakPolarHBondContact OD1-CG 3.47Å; D238-R240 IonicContact OD1-CZ 2.69Å; D238-R240 PolarHBondContact OD1-N 3.19Å; D238-R240 IonicContact OD1-NE 2.9Å; D238-R240 PolarHBondContact OD1-NE 3.44Å; D238-R240 IonicContact OD1-NH2 3.86Å; D238-R240 IonicContact OD2-CZ 3.44Å; D238-R240 VanDerWaalsContact OD2-CZ 3.31Å; D238-R240 IonicContact OD2-NE 2.95Å; D238-R240 PolarHBondContact OD2-NE 2.84Å; D238-R240 VanDerWaalsContact OD2-NE 3.1Å; D238-R240 IonicContact OD2-NH2 2.7Å; D238-R240 PolarHBondContact OD2-NH2 3.23Å; R240-S243 PolarHBondContact O-OG 2.83Å; R240-L244 VanDerWaalsContact O-CB 3.3Å; R240-L244 WeakPolarHBondContact O-CB 3.31Å; R240-L244 WeakPolarHBondContact O-CD1 3.44Å; R240-L244 WeakPolarHBondContact O-CG 3.3Å; R240-L244 PolarHBondContact O-N 3.25Å; R240-E426 WeakPolarHBondContact CD-OE2 3.2Å; R240-E426 IonicContact CZ-OE2 2.68Å; R240-E426 IonicContact NE-OE2 3.26Å; R240-E426 IonicContact NH1-OE2 3.14Å; R240-E426 PolarHBondContact NH1-OE2 2.84Å
241I81.8Confident86.7Confident28 Ų2839.9 Ų39.914%0.14421%0.209CC..Hα-helixtrans-73.4-37.2176.3-52.8-179.6000109.7N234 Y235 D238 S243 L244 Y245N234-I241 HydrophobicContact CB-CD1 3.99Å; N234-I241 VanDerWaalsContact ND2-CD1 3.28Å; N234-I241 WeakPolarHBondContact ND2-CD1 3.48Å; Y235-I241 HydrophobicContact CD1-CG2 3.57Å; Y235-I241 HydrophobicContact CD2-CG2 4.12Å; Y235-I241 HydrophobicContact CE1-CG2 4.01Å; Y235-I241 HydrophobicContact CG-CG2 3.65Å; D238-I241 HydrophobicContact CB-CB 4.14Å; D238-I241 HydrophobicContact CB-CD1 3.93Å; D238-I241 HydrophobicContact CB-CG1 3.86Å; D238-I241 PolarHBondContact O-N 3.19Å; I241-S243 PolarHBondContact O-N 3.48Å; I241-L244 PolarHBondContact O-N 3.02Å; I241-Y245 HydrophobicContact CG2-CD2 3.71Å; I241-Y245 HydrophobicContact CG2-CE2 3.96Å; I241-Y245 WeakPolarHBondContact O-CD2 3.29Å; I241-Y245 PolarHBondContact O-N 3.4Å; I241-Y245 VanDerWaalsContact O-N 3.09Å
242R86.9Confident86.7Confident14 Ų1440.2 Ų40.25%0.05321%0.211CC..Hα-helixtrans-55.4-49171.1-70.9-162.4-59.8-83.24.4112.3Y235 V236 L237 D238 N246 I247 L249Y235-R242 VanDerWaalsContact O-CG 3.3Å; Y235-R242 WeakPolarHBondContact O-CG 3.32Å; V236-R242 VanDerWaalsContact O-CD 3.31Å; V236-R242 WeakPolarHBondContact O-CD 3.19Å; V236-R242 PolarHBondContact O-NH1 3.13Å; L237-R242 VanDerWaalsContact C-NH1 3.27Å; L237-R242 PolarHBondContact O-NH1 2.88Å; D238-R242 PolarHBondContact O-N 2.94Å; R242-N246 WeakPolarHBondContact O-CA 3.01Å; R242-N246 PolarHBondContact O-N 3.19Å; R242-I247 HydrophobicContact CB-CB 4.39Å; R242-I247 HydrophobicContact CG-CB 4.46Å; R242-I247 PolarHBondContact O-N 3.39Å; R242-L249 VanDerWaalsContact CD-CD1 3.48Å
243S79.2Confident86.9Confident89 Ų8940.1 Ų40.162%0.62221%0.21SC*.Hα-helixtrans-68.9-45.2179.665.30000112.5P239 R240 I241 Y245 N246P239-S243 PolarHBondContact O-N 2.7Å; P239-S243 PolarHBondContact O-OG 3.06Å; R240-S243 PolarHBondContact O-OG 2.83Å; I241-S243 PolarHBondContact O-N 3.48Å; S243-Y245 PolarHBondContact O-N 3.09Å; S243-N246 PolarHBondContact O-N 3.41Å; S243-N246 VanDerWaalsContact O-N 3.09Å
244L74.6Confident87.1Confident78 Ų7839.9 Ų39.941%0.40821%0.21SC..Hα-helixtrans-58.2-32.2178.4-76.9170000114R240 I241R240-L244 VanDerWaalsContact O-CB 3.3Å; R240-L244 WeakPolarHBondContact O-CB 3.31Å; R240-L244 WeakPolarHBondContact O-CD1 3.44Å; R240-L244 WeakPolarHBondContact O-CG 3.3Å; R240-L244 PolarHBondContact O-N 3.25Å; I241-L244 PolarHBondContact O-N 3.02Å
245Y78.8Confident87.5Confident21 Ų2136.4 Ų36.48%0.08219%0.191CC..THydrogen-bonded Turntrans-102.53.9178.9-73-95.2000113.9V142 Y216 K223 Y235 I241 S243V142-Y245 HydrophobicContact CG1-CD1 3.9Å; V142-Y245 HydrophobicContact CG1-CE1 4.33Å; Y216-Y245 AromaticContact CE2-CE1 3.91Å; Y216-Y245 HydrophobicContact CE2-CE1 3.91Å; K223-Y245 PolarHBondContact NZ-O 2.72Å; Y235-Y245 HydrophobicContact CD1-CD1 4.42Å; Y235-Y245 HydrophobicContact CD1-CD2 4.02Å; Y235-Y245 HydrophobicContact CD1-CE2 4.27Å; Y235-Y245 HydrophobicContact CD1-CG 4.11Å; Y235-Y245 AromaticContact CE1-CD1 3.89Å; Y235-Y245 HydrophobicContact CE1-CD1 3.89Å; Y235-Y245 AromaticContact CE1-CD2 3.75Å; Y235-Y245 HydrophobicContact CE1-CD2 3.75Å; Y235-Y245 AromaticContact CE1-CE1 3.72Å; Y235-Y245 HydrophobicContact CE1-CE1 3.72Å; Y235-Y245 AromaticContact CE1-CE2 3.58Å; Y235-Y245 HydrophobicContact CE1-CE2 3.58Å; Y235-Y245 AromaticContact CE1-CG 3.91Å; Y235-Y245 HydrophobicContact CE1-CG 3.91Å; Y235-Y245 AromaticContact CE1-CZ 3.57Å; I241-Y245 HydrophobicContact CG2-CD2 3.71Å; I241-Y245 HydrophobicContact CG2-CE2 3.96Å; I241-Y245 WeakPolarHBondContact O-CD2 3.29Å; I241-Y245 PolarHBondContact O-N 3.4Å; I241-Y245 VanDerWaalsContact O-N 3.09Å; S243-Y245 PolarHBondContact O-N 3.09Å
246N82.6Confident87.7Confident121 Ų12135.8 Ų35.865%0.64719%0.189SC*.THydrogen-bonded Turntrans47.560.5-173.9-168.916.3000112.5K223 R242 S243K223-N246 PolarHBondContact NZ-O 3.19Å; R242-N246 WeakPolarHBondContact O-CA 3.01Å; R242-N246 PolarHBondContact O-N 3.19Å; S243-N246 PolarHBondContact O-N 3.41Å; S243-N246 VanDerWaalsContact O-N 3.09Å
247I87.9Confident87.7Confident13 Ų1336.2 Ų36.27%0.06719%0.191CC..  trans-97100.2-180-58.9170.8000108.4I113 M231 Y235 R242 L249I113-I247 HydrophobicContact CD1-CG2 4.21Å; M231-I247 HydrophobicContact CE-CD1 4.14Å; M231-I247 HydrophobicContact CE-CG2 4.18Å; M231-I247 HydrophobicContact SD-CD1 3.87Å; M231-I247 HydrophobicContact SD-CG2 4.45Å; Y235-I247 HydrophobicContact CD1-CD1 4.25Å; Y235-I247 WeakPolarHBondContact O-CD1 3.15Å; R242-I247 HydrophobicContact CB-CB 4.39Å; R242-I247 HydrophobicContact CG-CB 4.46Å; R242-I247 PolarHBondContact O-N 3.39Å; I247-L249 HydrophobicContact CG2-CD2 4.08Å
248N87.4Confident87.6Confident101 Ų10137.6 Ų37.654%0.5420%0.197SC..  trans-72.4144.5165.7-1674.8000109.6E250N248-E250 WeakPolarHBondContact OD1-CB 3.4Å; N248-E250 PolarHBondContact OD1-N 3.44Å
249L90.9Very high87.9Confident1 Ų137 Ų371%0.00519%0.194CC..  trans-120.3-3.4177-68.1-174.1000113.1I113 R242 I247 N251 T252 V254 L511 Q514 V516I113-L249 HydrophobicContact CD1-CD2 3.5Å; I113-L249 VanDerWaalsContact CD1-CD2 3.5Å; R242-L249 VanDerWaalsContact CD-CD1 3.48Å; I247-L249 HydrophobicContact CG2-CD2 4.08Å; L249-N251 PolarHBondContact O-N 3.19Å; L249-T252 VanDerWaalsContact O-CB 3.22Å; L249-T252 WeakPolarHBondContact O-CB 3.48Å; L249-T252 PolarHBondContact O-N 3.46Å; L249-T252 VanDerWaalsContact O-N 3.15Å; L249-T252 PolarHBondContact O-OG1 2.83Å; L249-V254 HydrophobicContact CD2-CG2 4.31Å; L249-L511 HydrophobicContact CD1-CD2 3.61Å; L249-Q514 CarbonylContact C-O 3.53Å; L249-Q514 HydrophobicContact CB-CB 3.87Å; L249-Q514 HydrophobicContact CD1-CB 4.31Å; L249-Q514 HydrophobicContact CD1-CG 4.48Å; L249-V516 HydrophobicContact CB-CG1 3.78Å; L249-V516 HydrophobicContact CD1-CG1 4.12Å; L249-V516 HydrophobicContact CG-CG1 4.45Å; L249-V516 WeakPolarHBondContact O-CA 3.29Å
250E90.8Very high88.1Confident111 Ų11135.3 Ų35.352%0.51918%0.183SC..THydrogen-bonded Turntrans-57134.9176.5-176.5174.4-145.800111.2N248 T252 Q514 N515N248-E250 WeakPolarHBondContact OD1-CB 3.4Å; N248-E250 PolarHBondContact OD1-N 3.44Å; E250-T252 PolarHBondContact O-N 3.38Å; E250-T252 PolarHBondContact O-OG1 3.39Å; E250-Q514 WeakPolarHBondContact CA-O 3.37Å; E250-Q514 PolarHBondContact N-O 3.39Å; E250-N515 HydrophobicContact CG-CB 4.33Å
251N90.5Very high88.6Confident44 Ų4434.4 Ų34.424%0.23518%0.183CC..THydrogen-bonded Turntrans49.621.7-176.8-157.225.5000114.4V106 L249 N515 R517V106-N251 PolarHBondContact O-ND2 3.42Å; V106-N251 VanDerWaalsContact O-ND2 3.13Å; L249-N251 PolarHBondContact O-N 3.19Å; N251-N515 PolarHBondContact N-O 2.99Å; N251-R517 WeakPolarHBondContact OD1-CD 3.21Å
252T93.4Very high89.1Confident7 Ų733 Ų334%0.04318%0.176CC..  trans-101.1134.8-174.6-610000110.6K111 I113 L249 E250 R517K111-T252 HydrophobicContact CB-CG2 4.1Å; K111-T252 WeakPolarHBondContact O-CA 3.45Å; I113-T252 HydrophobicContact CB-CG2 4.46Å; I113-T252 HydrophobicContact CD1-CG2 3.74Å; I113-T252 HydrophobicContact CG1-CG2 3.77Å; L249-T252 VanDerWaalsContact O-CB 3.22Å; L249-T252 WeakPolarHBondContact O-CB 3.48Å; L249-T252 PolarHBondContact O-N 3.46Å; L249-T252 VanDerWaalsContact O-N 3.15Å; L249-T252 PolarHBondContact O-OG1 2.83Å; E250-T252 PolarHBondContact O-N 3.38Å; E250-T252 PolarHBondContact O-OG1 3.39Å; T252-R517 PolarHBondContact O-N 3.19Å
253T96.2Very high89.4Confident0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-84.8127.3169.8-58.60000109.4L32 K111 I112 I113 I255 C518 I520L32-T253 HydrophobicContact CD2-CG2 3.81Å; K111-T253 PolarHBondContact O-N 2.92Å; I112-T253 CarbonylContact C-O 3.6Å; I112-T253 WeakPolarHBondContact CA-O 3.46Å; I113-T253 PolarHBondContact N-O 3.08Å; T253-I255 HydrophobicContact CG2-CG1 4.31Å; T253-C518 WeakPolarHBondContact CG2-SG 3.18Å; T253-I520 HydrophobicContact CG2-CD1 4.28Å; T253-I520 HydrophobicContact CG2-CG1 4.45Å
254V97.1Very high90Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-108123.6178.5178.20000109.6V236 L249 F256 V516 C518 I519 I520V236-V254 HydrophobicContact CG1-CG1 3.73Å; V236-V254 HydrophobicContact CG1-CG2 4.42Å; L249-V254 HydrophobicContact CD2-CG2 4.31Å; V254-F256 HydrophobicContact CB-CE2 4.5Å; V254-F256 HydrophobicContact CG1-CD2 3.89Å; V254-F256 HydrophobicContact CG1-CE1 4.43Å; V254-F256 HydrophobicContact CG1-CE2 3.39Å; V254-F256 HydrophobicContact CG1-CZ 3.71Å; V254-V516 HydrophobicContact CG2-CG1 4.05Å; V254-C518 PolarHBondContact N-O 3.35Å; V254-I519 CarbonylContact O-C 3.5Å; V254-I519 VanDerWaalsContact O-CA 3.29Å; V254-I519 WeakPolarHBondContact O-CA 3.33Å; V254-I520 PolarHBondContact O-N 2.93Å
255I97.7Very high90.9Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-111.5121.7177.3-51.5173.4000108.8L52 I112 I113 A115 T253 I520L52-I255 HydrophobicContact CD1-CD1 4.14Å; L52-I255 HydrophobicContact CD1-CG2 4.04Å; L52-I255 HydrophobicContact CD2-CG2 3.79Å; L52-I255 HydrophobicContact CG-CD1 4.49Å; L52-I255 HydrophobicContact CG-CG2 4.31Å; I112-I255 HydrophobicContact CG2-CD1 3.47Å; I112-I255 VanDerWaalsContact CG2-CD1 3.47Å; I112-I255 HydrophobicContact CG2-CG1 4.05Å; I113-I255 PolarHBondContact O-N 3.22Å; A115-I255 WeakPolarHBondContact CA-O 3.44Å; A115-I255 VanDerWaalsContact CB-O 3.28Å; A115-I255 WeakPolarHBondContact CB-O 3.36Å; A115-I255 PolarHBondContact N-O 3.45Å; T253-I255 HydrophobicContact CG2-CG1 4.31Å; I255-I520 CarbonylContact C-O 3.59Å; I255-I520 WeakPolarHBondContact CA-O 2.95Å; I255-I520 HydrophobicContact CB-CB 4.5Å; I255-I520 HydrophobicContact CG1-CB 4.24Å; I255-I520 HydrophobicContact CG1-CD1 4.34Å; I255-I520 HydrophobicContact CG2-CB 4.22Å; I255-I520 HydrophobicContact CG2-CG2 4.32Å
256F96.6Very high91.6Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-103105.5171.6-65.7-84.6000109.6A115 Y233 V236 L237 V254 A259 I262 L511 I519 I520 L521 T522A115-F256 HydrophobicContact CB-CD1 3.77Å; A115-F256 HydrophobicContact CB-CE1 4.1Å; A115-F256 HydrophobicContact CB-CG 4.43Å; Y233-F256 AromaticContact CD1-CD1 3.71Å; Y233-F256 HydrophobicContact CD1-CD1 3.71Å; Y233-F256 HydrophobicContact CD1-CE1 4.33Å; Y233-F256 HydrophobicContact CD2-CD1 4.39Å; Y233-F256 HydrophobicContact CE1-CB 4.07Å; Y233-F256 AromaticContact CE1-CD1 3.67Å; Y233-F256 HydrophobicContact CE1-CD1 3.67Å; Y233-F256 HydrophobicContact CE1-CG 4.37Å; Y233-F256 HydrophobicContact CE2-CD1 4.36Å; Y233-F256 HydrophobicContact CG-CD1 4.1Å; Y233-F256 HydrophobicContact CG-CE1 4.43Å; V236-F256 HydrophobicContact CB-CE1 4.25Å; V236-F256 HydrophobicContact CB-CZ 4.3Å; V236-F256 HydrophobicContact CG1-CE1 4.19Å; V236-F256 HydrophobicContact CG1-CZ 3.75Å; L237-F256 HydrophobicContact CD1-CE1 4.1Å; L237-F256 HydrophobicContact CD2-CE1 4.34Å; L237-F256 HydrophobicContact CD2-CZ 3.94Å; L237-F256 HydrophobicContact CG-CE1 3.98Å; L237-F256 HydrophobicContact CG-CZ 4.04Å; V254-F256 HydrophobicContact CB-CE2 4.5Å; V254-F256 HydrophobicContact CG1-CD2 3.89Å; V254-F256 HydrophobicContact CG1-CE1 4.43Å; V254-F256 HydrophobicContact CG1-CE2 3.39Å; V254-F256 HydrophobicContact CG1-CZ 3.71Å; F256-A259 HydrophobicContact CB-CB 4.23Å; F256-I262 HydrophobicContact CB-CD1 4.49Å; F256-I262 HydrophobicContact CD1-CD1 3.76Å; F256-I262 HydrophobicContact CD2-CD1 4.49Å; F256-I262 HydrophobicContact CE1-CD1 4.02Å; F256-I262 HydrophobicContact CG-CD1 4.02Å; F256-I262 HydrophobicContact CZ-CD1 4.48Å; F256-L511 HydrophobicContact CE2-CD1 4.17Å; F256-L511 HydrophobicContact CZ-CD1 4.03Å; F256-I519 HydrophobicContact CD2-CG2 3.83Å; F256-I519 HydrophobicContact CE2-CG2 3.88Å; F256-I520 PolarHBondContact N-O 3.15Å; F256-L521 HydrophobicContact CB-CD2 3.81Å; F256-L521 HydrophobicContact CD2-CD2 3.7Å; F256-L521 HydrophobicContact CG-CD2 4.11Å; F256-T522 PolarHBondContact O-N 3.4Å
257D93.7Very high92.2Very high8 Ų823.4 Ų23.44%0.04312%0.119CC..EExtended strand (participates in β ladder)trans-89.9144.817317946.6000111.7K48 Y114 A115 Y233 T522K48-D257 IonicContact NZ-OD1 3.17Å; Y114-D257 HydrophobicContact CE1-CB 3.92Å; Y114-D257 WeakPolarHBondContact OH-CB 3.45Å; Y114-D257 VanDerWaalsContact OH-CG 3.28Å; Y114-D257 PolarHBondContact OH-OD2 3.08Å; A115-D257 PolarHBondContact O-N 2.96Å; Y233-D257 WeakPolarHBondContact CE1-O 3.42Å; Y233-D257 PolarHBondContact OH-O 3.24Å; D257-T522 HydrophobicContact CB-CG2 4.1Å
258E89.3Confident92.4Very high30 Ų3026.1 Ų26.114%0.1413%0.134CC..THydrogen-bonded Turntrans53.645.3-164.3-66.9-56.3152.900114.9K48 R117 Y233 H260 T522 S523K48-E258 IonicContact NZ-OE1 2.72Å; K48-E258 PolarHBondContact NZ-OE1 3.03Å; R117-E258 VanDerWaalsContact CZ-O 3.3Å; R117-E258 PolarHBondContact NE-O 3.17Å; R117-E258 PolarHBondContact NH2-O 3.09Å; Y233-E258 PolarHBondContact OH-O 3.02Å; E258-H260 PolarHBondContact O-N 2.88Å; E258-H260 IonicContact OE2-CE1 2.92Å; E258-H260 PolarHBondContact OE2-CE1 3.45Å; E258-H260 IonicContact OE2-ND1 3.58Å; E258-H260 PolarHBondContact OE2-ND1 3.11Å; E258-T522 WeakPolarHBondContact CA-O 3.39Å; E258-T522 PolarHBondContact N-O 3.28Å; E258-S523 PolarHBondContact OE2-OG 3.09Å
259A91.5Very high92.5Very high0 Ų022 Ų220%011%0.114CC..G310 helixtrans-68.87.7-176.100000117.5Y233 F256 N261 I262 L521 T522 L526Y233-A259 WeakPolarHBondContact OH-CA 3.28Å; Y233-A259 PolarHBondContact OH-N 3.25Å; Y233-A259 VanDerWaalsContact OH-N 3.11Å; F256-A259 HydrophobicContact CB-CB 4.23Å; A259-N261 PolarHBondContact O-N 3.49Å; A259-I262 HydrophobicContact CB-CB 4.3Å; A259-I262 VanDerWaalsContact O-CB 3.28Å; A259-I262 WeakPolarHBondContact O-CB 3.48Å; A259-I262 WeakPolarHBondContact O-CG2 3.29Å; A259-I262 PolarHBondContact O-N 3Å; A259-L521 HydrophobicContact CB-CB 4.17Å; A259-L521 HydrophobicContact CB-CD2 4.26Å; A259-T522 PolarHBondContact N-O 3.43Å; A259-L526 HydrophobicContact CB-CD2 4.18Å
260H86.1Confident92.4Very high6 Ų622 Ų223%0.02811%0.114CC..G310 helixtrans-69.2-1.6-175.364-100.6000116.4R117 E258 S523 T525 L526 R744 Q748R117-H260 PolarHBondContact NH1-NE2 3.29Å; R117-H260 VanDerWaalsContact NH1-NE2 3.15Å; R117-H260 PolarHBondContact NH2-CD2 3.32Å; R117-H260 PolarHBondContact NH2-CE1 2.87Å; R117-H260 PolarHBondContact NH2-ND1 3.48Å; R117-H260 PolarHBondContact NH2-NE2 3.21Å; E258-H260 PolarHBondContact O-N 2.88Å; E258-H260 IonicContact OE2-CE1 2.92Å; E258-H260 PolarHBondContact OE2-CE1 3.45Å; E258-H260 IonicContact OE2-ND1 3.58Å; E258-H260 PolarHBondContact OE2-ND1 3.11Å; H260-S523 PolarHBondContact ND1-OG 3.01Å; H260-T525 VanDerWaalsContact CB-OG1 3.31Å; H260-T525 WeakPolarHBondContact CB-OG1 3.19Å; H260-T525 PolarHBondContact ND1-OG1 3.16Å; H260-T525 VanDerWaalsContact ND1-OG1 3.09Å; H260-L526 HydrophobicContact CB-CD2 4.17Å; H260-R744 PolarHBondContact O-NH1 3.36Å; H260-Q748 PolarHBondContact CD2-NE2 3.03Å; H260-Q748 WeakPolarHBondContact NE2-CG 3.38Å; H260-Q748 PolarHBondContact NE2-NE2 3.48Å; H260-Q748 PolarHBondContact NE2-OE1 3.37Å
261N87.7Confident92.6Very high50 Ų5017.3 Ų17.327%0.2679%0.094SC..G310 helixtrans-12215170.9-66.98.4000112R117 A259 E263 Q264 V265R117-N261 PolarHBondContact NH1-ND2 3.11Å; A259-N261 PolarHBondContact O-N 3.49Å; N261-E263 PolarHBondContact O-N 3.34Å; N261-Q264 PolarHBondContact O-N 2.97Å; N261-V265 PolarHBondContact O-N 3.32Å
262I92.6Very high92.7Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-58.5-33-171.2-170.661.6000112.5Y233 L237 F256 A259 V265 C266 L521 I532 L536Y233-I262 HydrophobicContact CD2-CD1 4.07Å; Y233-I262 HydrophobicContact CE2-CD1 3.83Å; L237-I262 HydrophobicContact CD1-CD1 3.98Å; F256-I262 HydrophobicContact CB-CD1 4.49Å; F256-I262 HydrophobicContact CD1-CD1 3.76Å; F256-I262 HydrophobicContact CD2-CD1 4.49Å; F256-I262 HydrophobicContact CE1-CD1 4.02Å; F256-I262 HydrophobicContact CG-CD1 4.02Å; F256-I262 HydrophobicContact CZ-CD1 4.48Å; A259-I262 HydrophobicContact CB-CB 4.3Å; A259-I262 VanDerWaalsContact O-CB 3.28Å; A259-I262 WeakPolarHBondContact O-CB 3.48Å; A259-I262 WeakPolarHBondContact O-CG2 3.29Å; A259-I262 PolarHBondContact O-N 3Å; I262-V265 PolarHBondContact O-N 2.69Å; I262-C266 WeakPolarHBondContact O-CB 3.46Å; I262-C266 PolarHBondContact O-N 2.82Å; I262-C266 PolarHBondContact O-SG 2.88Å; I262-L521 HydrophobicContact CG1-CD2 4.39Å; I262-L521 HydrophobicContact CG2-CD1 4.4Å; I262-I532 HydrophobicContact CG2-CG2 4.16Å; I262-L536 HydrophobicContact CG2-CD1 4.08Å; I262-L536 HydrophobicContact CG2-CD2 4.41Å
263E93.1Very high92.7Very high3 Ų318.6 Ų18.61%0.01410%0.103CC..Hα-helixtrans-62-51.7178-50.497.7131.200111N261 V265 C266 E267 P504 I532 L536 R744N261-E263 PolarHBondContact O-N 3.34Å; E263-V265 VanDerWaalsContact C-N 3.32Å; E263-V265 PolarHBondContact O-N 3.31Å; E263-C266 PolarHBondContact O-N 3.15Å; E263-E267 PolarHBondContact O-N 2.68Å; E263-P504 HydrophobicContact CB-CB 4.16Å; E263-P504 HydrophobicContact CB-CG 4.01Å; E263-P504 HydrophobicContact CG-CG 4.45Å; E263-P504 WeakPolarHBondContact O-CB 3.48Å; E263-I532 HydrophobicContact CG-CG2 4.45Å; E263-L536 HydrophobicContact CG-CD2 4.3Å; E263-R744 VanDerWaalsContact CD-NH1 3.28Å; E263-R744 IonicContact OE1-CZ 2.73Å; E263-R744 IonicContact OE1-NH1 2.9Å; E263-R744 PolarHBondContact OE1-NH1 2.7Å; E263-R744 IonicContact OE1-NH2 3.25Å; E263-R744 PolarHBondContact OE1-NH2 3.24Å; E263-R744 IonicContact OE2-NH1 2.72Å; E263-R744 PolarHBondContact OE2-NH1 3.27Å
264Q92.3Very high92.7Very high74 Ų7418.8 Ų18.835%0.34610%0.104SC..Hα-helixtrans-59.3-42.7178.9-179.362.153.600111.5N261 C266 E267 D268 R699N261-Q264 PolarHBondContact O-N 2.97Å; Q264-C266 PolarHBondContact O-N 3.02Å; Q264-E267 PolarHBondContact O-N 3.29Å; Q264-D268 VanDerWaalsContact NE2-CG 3.27Å; Q264-D268 PolarHBondContact NE2-OD1 2.86Å; Q264-D268 VanDerWaalsContact NE2-OD1 3.16Å; Q264-D268 PolarHBondContact NE2-OD2 2.59Å; Q264-D268 WeakPolarHBondContact O-CB 3.24Å; Q264-D268 VanDerWaalsContact O-CG 3.3Å; Q264-D268 PolarHBondContact O-N 2.94Å; Q264-R699 VanDerWaalsContact NE2-NH2 3.19Å
265V92.9Very high92.5Very high40 Ų4019.6 Ų19.624%0.24211%0.109CC..Hα-helixtrans-68.9-34179.7-175.10000111.8Y233 L237 N261 I262 E263 A269Y233-V265 HydrophobicContact CD2-CB 4.37Å; Y233-V265 HydrophobicContact CD2-CG1 4.2Å; Y233-V265 HydrophobicContact CD2-CG2 4.24Å; L237-V265 HydrophobicContact CD1-CB 4.32Å; L237-V265 HydrophobicContact CD1-CG1 3.74Å; N261-V265 PolarHBondContact O-N 3.32Å; I262-V265 PolarHBondContact O-N 2.69Å; E263-V265 VanDerWaalsContact C-N 3.32Å; E263-V265 PolarHBondContact O-N 3.31Å; V265-A269 VanDerWaalsContact O-CB 3.31Å; V265-A269 WeakPolarHBondContact O-CB 3.11Å; V265-A269 PolarHBondContact O-N 3.08Å
266C94.3Very high92.3Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-68.2-41.1172.7-69.10000112.2I262 E263 Q264 A269 S270 P504 A507I262-C266 WeakPolarHBondContact O-CB 3.46Å; I262-C266 PolarHBondContact O-N 2.82Å; I262-C266 PolarHBondContact O-SG 2.88Å; E263-C266 PolarHBondContact O-N 3.15Å; Q264-C266 PolarHBondContact O-N 3.02Å; C266-A269 PolarHBondContact O-N 3.2Å; C266-S270 PolarHBondContact O-N 3.23Å; C266-P504 HydrophobicContact CB-CB 3.48Å; C266-P504 VanDerWaalsContact CB-CB 3.48Å; C266-P504 WeakPolarHBondContact CB-O 3.33Å; C266-A507 HydrophobicContact CB-CB 3.85Å
267E94Very high91.9Very high3 Ų322.9 Ų22.91%0.01414%0.135CC..Hα-helixtrans-62.3-44.4173.9-76.1179.6-151.700112E263 Q264 S270 S271 C501 P504 R699 K703E263-E267 PolarHBondContact O-N 2.68Å; Q264-E267 PolarHBondContact O-N 3.29Å; E267-S270 CarbonylContact O-C 3.49Å; E267-S270 PolarHBondContact O-N 3.33Å; E267-S271 VanDerWaalsContact O-CB 3.3Å; E267-S271 WeakPolarHBondContact O-CB 3.38Å; E267-S271 PolarHBondContact O-N 3.44Å; E267-S271 VanDerWaalsContact O-N 3.07Å; E267-S271 PolarHBondContact O-OG 3.36Å; E267-C501 WeakPolarHBondContact CB-O 3.38Å; E267-C501 WeakPolarHBondContact CG-O 3.34Å; E267-P504 HydrophobicContact CG-CB 4.21Å; E267-R699 IonicContact OE2-NH2 2.73Å; E267-K703 WeakPolarHBondContact OE1-CE 3.5Å; E267-K703 IonicContact OE1-NZ 2.79Å; E267-K703 PolarHBondContact OE1-NZ 2.85Å
268D91.9Very high91.8Very high71 Ų7123.2 Ų23.238%0.3814%0.137SC..Hα-helixtrans-66.5-38.6178.2-71-31.1000112.5Q264 S270 S271 R699Q264-D268 VanDerWaalsContact NE2-CG 3.27Å; Q264-D268 PolarHBondContact NE2-OD1 2.86Å; Q264-D268 VanDerWaalsContact NE2-OD1 3.16Å; Q264-D268 PolarHBondContact NE2-OD2 2.59Å; Q264-D268 WeakPolarHBondContact O-CB 3.24Å; Q264-D268 VanDerWaalsContact O-CG 3.3Å; Q264-D268 PolarHBondContact O-N 2.94Å; D268-S270 PolarHBondContact O-N 3.33Å; D268-S271 PolarHBondContact O-N 3.39Å; D268-S271 VanDerWaalsContact O-N 3.14Å; D268-R699 IonicContact OD1-CZ 3.97Å; D268-R699 IonicContact OD1-NH1 3.79Å; D268-R699 PolarHBondContact OD1-NH1 3.15Å; D268-R699 IonicContact OD1-NH2 3.76Å; D268-R699 PolarHBondContact OD1-NH2 2.92Å
269A89.2Confident92Very high15 Ų1521.8 Ų21.812%0.12413%0.131CC..Hα-helixtrans-65.4-24.3174.300000113.5L237 V265 C266L237-A269 HydrophobicContact CB-CB 4.23Å; V265-A269 VanDerWaalsContact O-CB 3.31Å; V265-A269 WeakPolarHBondContact O-CB 3.11Å; V265-A269 PolarHBondContact O-N 3.08Å; C266-A269 PolarHBondContact O-N 3.2Å
270S90.4Very high92Very high0 Ų023.8 Ų23.80%015%0.147CC..THydrogen-bonded Turntrans-100.69.2173.4-67.40000113.8C266 E267 D268 Y434 Y460 C501C266-S270 PolarHBondContact O-N 3.23Å; E267-S270 CarbonylContact O-C 3.49Å; E267-S270 PolarHBondContact O-N 3.33Å; D268-S270 PolarHBondContact O-N 3.33Å; S270-Y434 PolarHBondContact OG-OH 3.27Å; S270-Y460 VanDerWaalsContact O-CE1 3.28Å; S270-Y460 WeakPolarHBondContact O-CE1 3.23Å; S270-Y460 PolarHBondContact O-OH 3.49Å; S270-C501 WeakPolarHBondContact O-CB 3.4Å
271S93.2Very high92.3Very high13 Ų1325.4 Ų25.49%0.09116%0.159CC..  trans-113.1158.6-179.6-650000112.1E267 D268 Y499 C501E267-S271 VanDerWaalsContact O-CB 3.3Å; E267-S271 WeakPolarHBondContact O-CB 3.38Å; E267-S271 PolarHBondContact O-N 3.44Å; E267-S271 VanDerWaalsContact O-N 3.07Å; E267-S271 PolarHBondContact O-OG 3.36Å; D268-S271 PolarHBondContact O-N 3.39Å; D268-S271 VanDerWaalsContact O-N 3.14Å; S271-Y499 WeakPolarHBondContact CA-O 3.4Å; S271-C501 PolarHBondContact OG-N 3.23Å
272V93.3Very high92.5Very high17 Ų1723 Ų2310%0.10315%0.146CC..EExtended strand (participates in β ladder)trans-146.4161.3173.171.10000112.4F427 T430 Y499V272-F427 HydrophobicContact CB-CD2 4.41Å; V272-F427 HydrophobicContact CG1-CD2 3.56Å; V272-F427 HydrophobicContact CG1-CE2 3.98Å; V272-F427 HydrophobicContact CG1-CG 4.23Å; V272-F427 HydrophobicContact CG2-CB 4.23Å; V272-F427 HydrophobicContact CG2-CD2 4.12Å; V272-T430 HydrophobicContact CB-CG2 3.91Å; V272-T430 HydrophobicContact CG1-CG2 3.85Å; V272-Y499 PolarHBondContact N-O 2.87Å; V272-Y499 PolarHBondContact O-N 2.79Å
273T94.4Very high92.4Very high60 Ų6023.8 Ų23.837%0.36815%0.15SC..EExtended strand (participates in β ladder)trans-145.3132.1177.3-57.80000110I497 S498T273-I497 CarbonylContact C-O 3.59Å; T273-I497 VanDerWaalsContact CA-O 3.27Å; T273-I497 WeakPolarHBondContact CA-O 3.4Å; T273-S498 WeakPolarHBondContact CG2-OG 2.8Å; T273-S498 PolarHBondContact OG1-OG 2.73Å
274L94.9Very high92.3Very high5 Ų528.5 Ų28.53%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-114.5154.3171.6-17761.9000108.6L278 V424 F427 I497L274-L278 HydrophobicContact CD1-CB 4.12Å; L274-V424 HydrophobicContact CD1-CG2 3.87Å; L274-V424 HydrophobicContact CD2-CG2 4.27Å; L274-F427 HydrophobicContact CB-CB 4.37Å; L274-F427 HydrophobicContact CB-CD2 3.56Å; L274-F427 HydrophobicContact CB-CE2 3.95Å; L274-F427 HydrophobicContact CB-CG 3.96Å; L274-F427 HydrophobicContact CD2-CD1 4.35Å; L274-F427 HydrophobicContact CD2-CG 4.28Å; L274-I497 PolarHBondContact N-O 3.05Å; L274-I497 PolarHBondContact O-N 2.84Å
275S93.9Very high92.1Very high16 Ų1625.5 Ų25.511%0.11216%0.158CC..EExtended strand (participates in β ladder)trans-136.4152.5173.767.50000110.9A277 L278 L279 N494 R495S275-A277 PolarHBondContact O-N 2.95Å; S275-L278 WeakPolarHBondContact O-CA 3.17Å; S275-L278 WeakPolarHBondContact O-CB 3.33Å; S275-L278 PolarHBondContact O-N 2.84Å; S275-L279 PolarHBondContact O-N 3.11Å; S275-N494 WeakPolarHBondContact CB-ND2 3.31Å; S275-N494 PolarHBondContact OG-ND2 2.91Å; S275-R495 CarbonylContact C-O 3.55Å; S275-R495 WeakPolarHBondContact CA-O 3.38Å; S275-R495 WeakPolarHBondContact CB-O 3.25Å
276S92.2Very high91.9Very high20 Ų2023.6 Ų23.614%0.1415%0.147CC..Hα-helixtrans-56.9-37.2-177.3-57.70000111.8L278 L279 A280 R495S276-L278 PolarHBondContact O-N 2.87Å; S276-L279 PolarHBondContact O-N 3.47Å; S276-L279 VanDerWaalsContact O-N 3.16Å; S276-A280 VanDerWaalsContact O-CB 3.3Å; S276-A280 WeakPolarHBondContact O-CB 3.38Å; S276-A280 PolarHBondContact O-N 3.44Å; S276-R495 PolarHBondContact N-O 2.83Å
277A89.9Confident91.6Very high49 Ų4924.8 Ų24.841%0.40515%0.152SC..Hα-helixtrans-60.5-26.9173.800000114.6S275 S281 N494S275-A277 PolarHBondContact O-N 2.95Å; A277-S281 VanDerWaalsContact O-CB 3.29Å; A277-S281 WeakPolarHBondContact O-CB 3.3Å; A277-S281 PolarHBondContact O-N 2.82Å; A277-N494 VanDerWaalsContact CB-OD1 3.31Å; A277-N494 WeakPolarHBondContact CB-OD1 3.39Å; A277-N494 PolarHBondContact N-OD1 2.73Å
278L90.8Very high91.3Very high16 Ų1626 Ų268%0.08416%0.16CC..Hα-helixtrans-87.7-33.3174.3-68.1171.1000112.2L274 S275 S276 S281 A282 K419 G420 E423L274-L278 HydrophobicContact CD1-CB 4.12Å; S275-L278 WeakPolarHBondContact O-CA 3.17Å; S275-L278 WeakPolarHBondContact O-CB 3.33Å; S275-L278 PolarHBondContact O-N 2.84Å; S276-L278 PolarHBondContact O-N 2.87Å; L278-S281 PolarHBondContact O-N 3.37Å; L278-A282 PolarHBondContact O-N 2.95Å; L278-K419 HydrophobicContact CD2-CD 4Å; L278-K419 HydrophobicContact CD2-CG 4.2Å; L278-G420 WeakPolarHBondContact O-CA 3.32Å; L278-E423 HydrophobicContact CD1-CB 4.13Å; L278-E423 HydrophobicContact CD1-CG 3.98Å; L278-E423 HydrophobicContact CD2-CG 4.27Å
279L94Very high91Very high0 Ų022.6 Ų22.60%014%0.142CC..Hα-helixtrans-68.7-48175-178.456.4000111.4S275 S276 S281 A282 I283 L355 L358 E359 I362 V424S275-L279 PolarHBondContact O-N 3.11Å; S276-L279 PolarHBondContact O-N 3.47Å; S276-L279 VanDerWaalsContact O-N 3.16Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 2.96Å; L279-A282 WeakPolarHBondContact O-CA 3.26Å; L279-A282 WeakPolarHBondContact O-CB 3.47Å; L279-A282 PolarHBondContact O-N 3.12Å; L279-I283 HydrophobicContact CD1-CD1 4.44Å; L279-I283 HydrophobicContact CG-CD1 4.16Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 3.41Å; L279-L355 HydrophobicContact CD1-CB 4.11Å; L279-L355 HydrophobicContact CD1-CD2 3.94Å; L279-L355 HydrophobicContact CD1-CG 4.48Å; L279-L358 HydrophobicContact CD1-CD2 4.47Å; L279-L358 HydrophobicContact CD2-CD2 4.4Å; L279-L358 HydrophobicContact CD2-CG 4.16Å; L279-E359 HydrophobicContact CD2-CB 3.77Å; L279-E359 HydrophobicContact CD2-CG 4.37Å; L279-E359 HydrophobicContact CG-CB 4.26Å; L279-I362 HydrophobicContact CD2-CD1 3.83Å; L279-V424 HydrophobicContact CD1-CG2 4.04Å
280A91.8Very high90.8Very high41 Ų4122.1 Ų22.134%0.33914%0.138SC..Hα-helixtrans-56.3-42.9170.300000111.7S276 A282 I283 E284 E359S276-A280 VanDerWaalsContact O-CB 3.3Å; S276-A280 WeakPolarHBondContact O-CB 3.38Å; S276-A280 PolarHBondContact O-N 3.44Å; A280-A282 PolarHBondContact O-N 3.13Å; A280-I283 PolarHBondContact O-N 3.34Å; A280-E284 WeakPolarHBondContact O-CB 3.46Å; A280-E284 PolarHBondContact O-N 2.94Å; A280-E359 WeakPolarHBondContact CB-OE1 3.44Å; A280-E359 PolarHBondContact N-OE1 3.45Å
281S90.5Very high90.5Very high41 Ų4124.4 Ų24.429%0.28715%0.149SC..Hα-helixtrans-65.4-19173.8-1780000113.6A277 L278 L279 H285A277-S281 VanDerWaalsContact O-CB 3.29Å; A277-S281 WeakPolarHBondContact O-CB 3.3Å; A277-S281 PolarHBondContact O-N 2.82Å; L278-S281 PolarHBondContact O-N 3.37Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 2.96Å; S281-H285 VanDerWaalsContact O-CB 3.3Å; S281-H285 WeakPolarHBondContact O-CB 3.14Å; S281-H285 PolarHBondContact O-N 3.3Å
282A92Very high90Very high0 Ų025.5 Ų25.50%016%0.155CC..Hα-helixtrans-82.9-48.117300000110.5L278 L279 A280 E284 H285 V286 L355 G420 L421 V424L278-A282 PolarHBondContact O-N 2.95Å; L279-A282 WeakPolarHBondContact O-CA 3.26Å; L279-A282 WeakPolarHBondContact O-CB 3.47Å; L279-A282 PolarHBondContact O-N 3.12Å; A280-A282 PolarHBondContact O-N 3.13Å; A282-E284 PolarHBondContact O-N 2.95Å; A282-H285 PolarHBondContact O-N 3.29Å; A282-V286 WeakPolarHBondContact O-CG2 3.16Å; A282-V286 PolarHBondContact O-N 3.02Å; A282-L355 HydrophobicContact CB-CD1 4.18Å; A282-G420 VanDerWaalsContact CB-C 3.47Å; A282-L421 HydrophobicContact CB-CD2 4.12Å; A282-L421 HydrophobicContact CB-CG 4.32Å; A282-V424 HydrophobicContact CB-CG2 3.82Å
283I91.8Very high89.5Confident15 Ų1524.8 Ų24.88%0.07715%0.15CC..Hα-helixtrans-57-47.2177.7-66.3161.8000111.1L279 A280 V286 K287 K352 L355 I356 E359L279-I283 HydrophobicContact CD1-CD1 4.44Å; L279-I283 HydrophobicContact CG-CD1 4.16Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 3.41Å; A280-I283 PolarHBondContact O-N 3.34Å; I283-V286 PolarHBondContact O-N 3.08Å; I283-K287 PolarHBondContact O-N 3.15Å; I283-K352 HydrophobicContact CG2-CG 4.31Å; I283-L355 HydrophobicContact CD1-CB 4.24Å; I283-L355 HydrophobicContact CG1-CB 3.59Å; I283-I356 HydrophobicContact CD1-CG1 4.08Å; I283-I356 HydrophobicContact CG1-CG1 4.24Å; I283-I356 HydrophobicContact CG2-CD1 4.02Å; I283-I356 HydrophobicContact CG2-CG1 3.65Å; I283-E359 HydrophobicContact CD1-CB 4.01Å; I283-E359 HydrophobicContact CD1-CG 4.46Å; I283-E359 WeakPolarHBondContact CD1-OE2 3.48Å
284E90.1Very high88.8Confident103 Ų10323.4 Ų23.448%0.48114%0.14SC..Hα-helixtrans-68.8-36.9178.9-176.464.2178.900112A280 A282 V286 K287 C288A280-E284 WeakPolarHBondContact O-CB 3.46Å; A280-E284 PolarHBondContact O-N 2.94Å; A282-E284 PolarHBondContact O-N 2.95Å; E284-V286 PolarHBondContact O-N 3.36Å; E284-K287 WeakPolarHBondContact O-CB 3.39Å; E284-K287 PolarHBondContact O-N 2.83Å; E284-C288 PolarHBondContact O-N 3.26Å; E284-C288 PolarHBondContact O-SG 3.1Å; E284-C288 VanDerWaalsContact O-SG 3.39Å
285H88.1Confident88.1Confident11 Ų1126.8 Ų26.85%0.05116%0.159CC..Hα-helixtrans-63.6-41.4174.5178.8-149.8000111.1S281 A282 C288 V289 T407 I415 T418 L421S281-H285 VanDerWaalsContact O-CB 3.3Å; S281-H285 WeakPolarHBondContact O-CB 3.14Å; S281-H285 PolarHBondContact O-N 3.3Å; A282-H285 PolarHBondContact O-N 3.29Å; H285-C288 PolarHBondContact O-N 3.49Å; H285-V289 WeakPolarHBondContact NE2-CG2 3.22Å; H285-V289 VanDerWaalsContact O-CG2 3.26Å; H285-V289 WeakPolarHBondContact O-CG2 3.44Å; H285-V289 PolarHBondContact O-N 2.98Å; H285-V289 VanDerWaalsContact O-N 3.07Å; H285-T407 PolarHBondContact CE1-OG1 3.5Å; H285-T407 VanDerWaalsContact CE1-OG1 3.31Å; H285-T407 WeakPolarHBondContact NE2-CB 3.15Å; H285-T407 WeakPolarHBondContact NE2-CG2 3.43Å; H285-T407 PolarHBondContact NE2-OG1 3.04Å; H285-I415 PolarHBondContact CD2-O 2.96Å; H285-I415 WeakPolarHBondContact NE2-CG2 3.47Å; H285-I415 PolarHBondContact NE2-O 3.16Å; H285-T418 WeakPolarHBondContact CE1-CG2 3.38Å; H285-L421 WeakPolarHBondContact ND1-CD1 3.36Å
286V89.8Confident87.3Confident0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-64.3-39.6172.1-176.60000111.5A282 I283 E284 V289 C290 M348 L351 K352 I403 L421A282-V286 WeakPolarHBondContact O-CG2 3.16Å; A282-V286 PolarHBondContact O-N 3.02Å; I283-V286 PolarHBondContact O-N 3.08Å; E284-V286 PolarHBondContact O-N 3.36Å; V286-V289 PolarHBondContact O-N 3.11Å; V286-C290 PolarHBondContact O-N 3.11Å; V286-C290 PolarHBondContact O-SG 2.95Å; V286-C290 VanDerWaalsContact O-SG 3.38Å; V286-M348 HydrophobicContact CG1-CB 4.32Å; V286-M348 WeakPolarHBondContact CG1-O 3.41Å; V286-L351 HydrophobicContact CG2-CD2 4.23Å; V286-K352 HydrophobicContact CB-CB 4.43Å; V286-K352 HydrophobicContact CG1-CB 3.85Å; V286-K352 HydrophobicContact CG1-CG 4.44Å; V286-I403 HydrophobicContact CG1-CD1 4.48Å; V286-I403 HydrophobicContact CG2-CD1 4.24Å; V286-L421 HydrophobicContact CG2-CD1 3.91Å; V286-L421 HydrophobicContact CG2-CD2 3.75Å; V286-L421 HydrophobicContact CG2-CG 4.15Å
287K87.7Confident86.5Confident25 Ų2529.5 Ų29.511%0.10917%0.169CC..Hα-helixtrans-55.4-54174-177177.2177.2170.70111I283 E284 V289 C290 E291 D907I283-K287 PolarHBondContact O-N 3.15Å; E284-K287 WeakPolarHBondContact O-CB 3.39Å; E284-K287 PolarHBondContact O-N 2.83Å; K287-V289 VanDerWaalsContact C-N 3.3Å; K287-V289 PolarHBondContact O-N 2.86Å; K287-C290 PolarHBondContact O-N 3.29Å; K287-E291 WeakPolarHBondContact CE-OE1 3.24Å; K287-E291 HydrophobicContact CG-CG 4.46Å; K287-E291 WeakPolarHBondContact O-CG 3.49Å; K287-E291 PolarHBondContact O-N 2.67Å; K287-D907 IonicContact NZ-OD1 2.97Å; K287-D907 PolarHBondContact NZ-OD1 3.41Å; K287-D907 IonicContact NZ-OD2 3.21Å; K287-D907 PolarHBondContact NZ-OD2 2.91Å
288C86.9Confident85.8Confident28 Ų2832 Ų3219%0.18917%0.171CC..Hα-helixtrans-62.8-33.4-179.1-63.80000113.5E284 H285 V292E284-C288 PolarHBondContact O-N 3.26Å; E284-C288 PolarHBondContact O-SG 3.1Å; E284-C288 VanDerWaalsContact O-SG 3.39Å; H285-C288 PolarHBondContact O-N 3.49Å; C288-V292 WeakPolarHBondContact O-CG2 3.19Å; C288-V292 PolarHBondContact O-N 2.89Å; C288-V292 VanDerWaalsContact O-N 3.17Å
289V86.1Confident84.9Confident0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-69.1-47.2175.5173.30000110.6H285 V286 K287 E291 V292 V293 L343 M348 I403 F406 I415H285-V289 WeakPolarHBondContact NE2-CG2 3.22Å; H285-V289 VanDerWaalsContact O-CG2 3.26Å; H285-V289 WeakPolarHBondContact O-CG2 3.44Å; H285-V289 PolarHBondContact O-N 2.98Å; H285-V289 VanDerWaalsContact O-N 3.07Å; V286-V289 PolarHBondContact O-N 3.11Å; K287-V289 VanDerWaalsContact C-N 3.3Å; K287-V289 PolarHBondContact O-N 2.86Å; V289-E291 VanDerWaalsContact C-N 3.34Å; V289-E291 PolarHBondContact O-N 3.49Å; V289-V292 PolarHBondContact O-N 3.26Å; V289-V293 HydrophobicContact CG1-CG2 4.37Å; V289-V293 WeakPolarHBondContact O-CG2 3.3Å; V289-V293 PolarHBondContact O-N 2.91Å; V289-L343 HydrophobicContact CG1-CD1 4.28Å; V289-M348 HydrophobicContact CG1-CE 4.36Å; V289-M348 HydrophobicContact CG1-SD 3.65Å; V289-I403 HydrophobicContact CB-CG2 4.43Å; V289-I403 HydrophobicContact CG1-CG1 4.45Å; V289-I403 HydrophobicContact CG1-CG2 4.24Å; V289-I403 HydrophobicContact CG2-CG2 3.88Å; V289-F406 HydrophobicContact CG1-CD1 3.98Å; V289-F406 HydrophobicContact CG1-CE1 4.11Å; V289-I415 HydrophobicContact CG2-CG2 3.43Å; V289-I415 VanDerWaalsContact CG2-CG2 3.43Å
290C85.5Confident83.7Confident5 Ų540.1 Ų40.13%0.03421%0.208CC..Hα-helixtrans-58.4-45175.8-710000112.1V286 K287 V293 L294 M348V286-C290 PolarHBondContact O-N 3.11Å; V286-C290 PolarHBondContact O-SG 2.95Å; V286-C290 VanDerWaalsContact O-SG 3.38Å; K287-C290 PolarHBondContact O-N 3.29Å; C290-V293 PolarHBondContact O-N 3.05Å; C290-L294 VanDerWaalsContact O-CB 3.29Å; C290-L294 WeakPolarHBondContact O-CB 3.24Å; C290-L294 WeakPolarHBondContact O-CD1 3.45Å; C290-L294 VanDerWaalsContact O-CG 3.25Å; C290-L294 WeakPolarHBondContact O-CG 3.37Å; C290-L294 PolarHBondContact O-N 3.1Å; C290-M348 WeakPolarHBondContact SG-CB 2.78Å
291E83.9Confident82.5Confident48 Ų4843.4 Ų43.422%0.22422%0.217CC..Hα-helixtrans-59.6-46.8178.3-73.1173.9158.900111.3K287 V289 L294 D295 S904 F906K287-E291 WeakPolarHBondContact CE-OE1 3.24Å; K287-E291 HydrophobicContact CG-CG 4.46Å; K287-E291 WeakPolarHBondContact O-CG 3.49Å; K287-E291 PolarHBondContact O-N 2.67Å; V289-E291 VanDerWaalsContact C-N 3.34Å; V289-E291 PolarHBondContact O-N 3.49Å; E291-L294 PolarHBondContact O-N 2.97Å; E291-D295 PolarHBondContact O-N 3.49Å; E291-S904 PolarHBondContact OE1-OG 2.77Å; E291-F906 HydrophobicContact CG-CD2 4.33Å
292V83.4Confident81.4Confident36 Ų3647.7 Ų47.722%0.21823%0.232CC..Hα-helixtrans-66.7-41.5179.3170.10000113C288 V289 L294 D295 H296 F406 I415C288-V292 WeakPolarHBondContact O-CG2 3.19Å; C288-V292 PolarHBondContact O-N 2.89Å; C288-V292 VanDerWaalsContact O-N 3.17Å; V289-V292 PolarHBondContact O-N 3.26Å; V292-L294 VanDerWaalsContact C-N 3.32Å; V292-D295 PolarHBondContact O-N 3.01Å; V292-H296 PolarHBondContact O-N 3.22Å; V292-H296 VanDerWaalsContact O-N 3.11Å; V292-F406 HydrophobicContact CG1-CZ 4.24Å; V292-I415 HydrophobicContact CB-CD1 4.14Å; V292-I415 HydrophobicContact CG1-CD1 4.01Å; V292-I415 HydrophobicContact CG2-CD1 3.9Å; V292-I415 HydrophobicContact CG2-CG1 4.42Å
293V81.7Confident80.1Confident2 Ų252.5 Ų52.51%0.01226%0.257CS..Hα-helixtrans-65.9-38.5176.7176.50000110.5V289 C290 T297 I340 L343 I345 M348 F406V289-V293 HydrophobicContact CG1-CG2 4.37Å; V289-V293 WeakPolarHBondContact O-CG2 3.3Å; V289-V293 PolarHBondContact O-N 2.91Å; C290-V293 PolarHBondContact O-N 3.05Å; V293-T297 WeakPolarHBondContact O-CG2 3.31Å; V293-T297 PolarHBondContact O-N 2.83Å; V293-T297 VanDerWaalsContact O-N 3.07Å; V293-T297 PolarHBondContact O-OG1 2.62Å; V293-I340 HydrophobicContact CG1-CG2 4.19Å; V293-L343 HydrophobicContact CG2-CD1 3.6Å; V293-I345 HydrophobicContact CB-CD1 4.33Å; V293-I345 HydrophobicContact CB-CG1 4.38Å; V293-I345 HydrophobicContact CG1-CD1 3.61Å; V293-I345 HydrophobicContact CG1-CG1 3.77Å; V293-M348 HydrophobicContact CB-CE 4.3Å; V293-M348 HydrophobicContact CG1-CE 4.38Å; V293-M348 HydrophobicContact CG2-CE 4.17Å; V293-F406 HydrophobicContact CG2-CE1 4.06Å; V293-F406 HydrophobicContact CG2-CZ 4.29Å
294L80.4Confident78.5Confident31 Ų3158.6 Ų58.616%0.16229%0.285CS..Hα-helixtrans-65.1-46.8176.4-79.5163.8000112.4C290 E291 V292 H296 T297 K298 I345 F906C290-L294 VanDerWaalsContact O-CB 3.29Å; C290-L294 WeakPolarHBondContact O-CB 3.24Å; C290-L294 WeakPolarHBondContact O-CD1 3.45Å; C290-L294 VanDerWaalsContact O-CG 3.25Å; C290-L294 WeakPolarHBondContact O-CG 3.37Å; C290-L294 PolarHBondContact O-N 3.1Å; E291-L294 PolarHBondContact O-N 2.97Å; V292-L294 VanDerWaalsContact C-N 3.32Å; L294-H296 VanDerWaalsContact C-N 3.33Å; L294-H296 PolarHBondContact O-N 3.44Å; L294-T297 WeakPolarHBondContact CA-OG1 3.15Å; L294-T297 PolarHBondContact O-N 3.28Å; L294-T297 VanDerWaalsContact O-N 3.14Å; L294-T297 PolarHBondContact O-OG1 3.11Å; L294-K298 WeakPolarHBondContact O-CG 2.97Å; L294-K298 PolarHBondContact O-N 3.38Å; L294-I345 HydrophobicContact CD2-CD1 3.67Å; L294-I345 HydrophobicContact CG-CD1 3.78Å; L294-F906 HydrophobicContact CD1-CE2 3.48Å; L294-F906 VanDerWaalsContact CD1-CE2 3.48Å; L294-F906 HydrophobicContact CD1-CZ 3.32Å
295D80.6Confident77Confident76 Ų7659.3 Ų59.341%0.40629%0.291SS..Hα-helixtrans-61.5-41.8179.1-70.2-19.9000111.1E291 V292 T297 K298 E299E291-D295 PolarHBondContact O-N 3.49Å; V292-D295 PolarHBondContact O-N 3.01Å; D295-T297 VanDerWaalsContact C-N 3.34Å; D295-T297 PolarHBondContact O-N 3.48Å; D295-K298 WeakPolarHBondContact O-CB 3.43Å; D295-K298 PolarHBondContact O-N 2.74Å; D295-K298 VanDerWaalsContact O-N 3.08Å; D295-K298 IonicContact OD1-NZ 3.1Å; D295-K298 PolarHBondContact OD1-NZ 2.74Å; D295-E299 WeakPolarHBondContact O-CG 3.46Å; D295-E299 PolarHBondContact O-N 2.98Å
296H77Confident75.4Confident64 Ų6462.1 Ų62.130%0.29631%0.312SS..Hα-helixtrans-63-37173.9-128.246.6000113.1V292 L294 K298 E299 Q300 I340V292-H296 PolarHBondContact O-N 3.22Å; V292-H296 VanDerWaalsContact O-N 3.11Å; L294-H296 VanDerWaalsContact C-N 3.33Å; L294-H296 PolarHBondContact O-N 3.44Å; H296-K298 VanDerWaalsContact C-N 3.3Å; H296-K298 PolarHBondContact O-N 2.85Å; H296-E299 IonicContact CE1-OE2 3.62Å; H296-E299 IonicContact CG-OE2 2.62Å; H296-E299 IonicContact ND1-OE2 3.92Å; H296-E299 PolarHBondContact ND1-OE2 2.76Å; H296-E299 PolarHBondContact O-N 2.74Å; H296-Q300 WeakPolarHBondContact O-CG 3.28Å; H296-Q300 PolarHBondContact O-N 2.84Å; H296-I340 HydrophobicContact CB-CD1 4.26Å; H296-I340 WeakPolarHBondContact CD2-CD1 3.45Å
297T74.8Confident73.6Confident29 Ų2967.3 Ų67.318%0.17834%0.34CS..Hα-helixtrans-69.5-24.1173.956.40000113.7V293 L294 D295 Q301V293-T297 WeakPolarHBondContact O-CG2 3.31Å; V293-T297 PolarHBondContact O-N 2.83Å; V293-T297 VanDerWaalsContact O-N 3.07Å; V293-T297 PolarHBondContact O-OG1 2.62Å; L294-T297 WeakPolarHBondContact CA-OG1 3.15Å; L294-T297 PolarHBondContact O-N 3.28Å; L294-T297 VanDerWaalsContact O-N 3.14Å; L294-T297 PolarHBondContact O-OG1 3.11Å; D295-T297 VanDerWaalsContact C-N 3.34Å; D295-T297 PolarHBondContact O-N 3.48Å; T297-Q301 WeakPolarHBondContact O-CG 3.45Å; T297-Q301 PolarHBondContact O-N 2.9Å
298K75.9Confident71.9Confident101 Ų10170.3 Ų70.344%0.43936%0.364SS..Hα-helixtrans-75.2-47.2170-61.9167.7-161.8158.40110.8L294 D295 H296 Q300 Q301 E302L294-K298 WeakPolarHBondContact O-CG 2.97Å; L294-K298 PolarHBondContact O-N 3.38Å; D295-K298 WeakPolarHBondContact O-CB 3.43Å; D295-K298 PolarHBondContact O-N 2.74Å; D295-K298 VanDerWaalsContact O-N 3.08Å; D295-K298 IonicContact OD1-NZ 3.1Å; D295-K298 PolarHBondContact OD1-NZ 2.74Å; H296-K298 VanDerWaalsContact C-N 3.3Å; H296-K298 PolarHBondContact O-N 2.85Å; K298-Q300 VanDerWaalsContact C-N 3.26Å; K298-Q300 PolarHBondContact O-N 3.03Å; K298-Q301 PolarHBondContact O-N 2.97Å; K298-E302 PolarHBondContact O-N 3.44Å
299E71.5Confident69.7Low98 Ų9875.4 Ų75.446%0.45839%0.39SS..Hα-helixtrans-54.6-43.1178.1-71.9173.2155.300111D295 H296 E302 I303D295-E299 WeakPolarHBondContact O-CG 3.46Å; D295-E299 PolarHBondContact O-N 2.98Å; H296-E299 IonicContact CE1-OE2 3.62Å; H296-E299 IonicContact CG-OE2 2.62Å; H296-E299 IonicContact ND1-OE2 3.92Å; H296-E299 PolarHBondContact ND1-OE2 2.76Å; H296-E299 PolarHBondContact O-N 2.74Å; E299-E302 PolarHBondContact O-N 3.13Å; E299-I303 WeakPolarHBondContact O-CB 3.43Å; E299-I303 WeakPolarHBondContact O-CD1 3.39Å; E299-I303 WeakPolarHBondContact O-CG1 3.19Å; E299-I303 PolarHBondContact O-N 3.45Å
300Q68.7Low67.6Low88 Ų8879.2 Ų79.241%0.41142%0.415SS..Hα-helixtrans-60.9-45.3173.7-73.6178.9-20.300113H296 K298 I303 E304H296-Q300 WeakPolarHBondContact O-CG 3.28Å; H296-Q300 PolarHBondContact O-N 2.84Å; K298-Q300 VanDerWaalsContact C-N 3.26Å; K298-Q300 PolarHBondContact O-N 3.03Å; Q300-I303 PolarHBondContact O-N 3.22Å; Q300-E304 PolarHBondContact O-N 3.47Å
301Q66.1Low65.1Low110 Ų11085.9 Ų85.951%0.51445%0.451SS..Hα-helixtrans-66.9-39.3178.5-72.6177.4-7.100112.5T297 K298 E304 L305T297-Q301 WeakPolarHBondContact O-CG 3.45Å; T297-Q301 PolarHBondContact O-N 2.9Å; K298-Q301 PolarHBondContact O-N 2.97Å; Q301-E304 PolarHBondContact O-N 3.15Å; Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.36Å; Q301-L305 VanDerWaalsContact O-CG 3.25Å; Q301-L305 WeakPolarHBondContact O-CG 3.4Å; Q301-L305 PolarHBondContact O-N 3.34Å
302E67.3Low62.8Low132 Ų13289.1 Ų89.162%0.61747%0.473SS*.Hα-helixtrans-67.2-36175.7-71.6-177.9-170.300111.8K298 E299 L305 S306K298-E302 PolarHBondContact O-N 3.44Å; E299-E302 PolarHBondContact O-N 3.13Å; E302-L305 PolarHBondContact O-N 3.21Å; E302-S306 WeakPolarHBondContact O-CB 3.49Å; E302-S306 PolarHBondContact O-N 3Å; E302-S306 PolarHBondContact O-OG 3.09Å
303I64.7Low60.6Low101 Ų10194.2 Ų94.252%0.51850%0.5SS..Hα-helixtrans-62.2-50.4172.3-71.9163.7000110.6E299 Q300 L305 S306 D307E299-I303 WeakPolarHBondContact O-CB 3.43Å; E299-I303 WeakPolarHBondContact O-CD1 3.39Å; E299-I303 WeakPolarHBondContact O-CG1 3.19Å; E299-I303 PolarHBondContact O-N 3.45Å; Q300-I303 PolarHBondContact O-N 3.22Å; I303-L305 VanDerWaalsContact C-N 3.29Å; I303-L305 PolarHBondContact O-N 3.45Å; I303-S306 PolarHBondContact O-N 2.98Å; I303-S306 PolarHBondContact O-OG 3.21Å; I303-D307 PolarHBondContact O-N 3.05Å
304E59Low58.3Low143 Ų143102.7 Ų102.767%0.66854%0.539SS*.Hα-helixtrans-60.8-35.8177.4-69.5-172.9152.400112.7Q300 Q301 S308Q300-E304 PolarHBondContact O-N 3.47Å; Q301-E304 PolarHBondContact O-N 3.15Å; E304-S308 PolarHBondContact O-OG 3.48Å
305L58Low56.1Low117 Ų117107.3 Ų107.361%0.61356%0.564SS**Hα-helixtrans-72.3-25.1174.1-72.3166.8000113.5Q301 E302 I303 S308 N309Q301-L305 WeakPolarHBondContact O-CB 3.48Å; Q301-L305 WeakPolarHBondContact O-CD1 3.36Å; Q301-L305 VanDerWaalsContact O-CG 3.25Å; Q301-L305 WeakPolarHBondContact O-CG 3.4Å; Q301-L305 PolarHBondContact O-N 3.34Å; E302-L305 PolarHBondContact O-N 3.21Å; I303-L305 VanDerWaalsContact C-N 3.29Å; I303-L305 PolarHBondContact O-N 3.45Å; L305-S308 PolarHBondContact O-OG 3.46Å; L305-N309 PolarHBondContact O-ND2 2.9Å
306S54.3Low53.9Low70 Ų70108.7 Ų108.749%0.4958%0.579SS.*Hα-helixtrans-84.2-43.3178.573.70000113.2E302 I303 S308 N309E302-S306 WeakPolarHBondContact O-CB 3.49Å; E302-S306 PolarHBondContact O-N 3Å; E302-S306 PolarHBondContact O-OG 3.09Å; I303-S306 PolarHBondContact O-N 2.98Å; I303-S306 PolarHBondContact O-OG 3.21Å; S306-S308 PolarHBondContact O-N 3.11Å; S306-N309 PolarHBondContact O-N 2.98Å
307D53Low52.2Low110 Ų110114.1 Ų114.159%0.58861%0.605SS**Hα-helixtrans-62.2-24.2176.7-101-5.2000112I303 N309 C310I303-D307 PolarHBondContact O-N 3.05Å; D307-N309 VanDerWaalsContact C-N 3.31Å; D307-N309 PolarHBondContact O-N 3.49Å; D307-C310 PolarHBondContact O-SG 3.41Å; D307-C310 VanDerWaalsContact O-SG 3.33Å
308S50.2Low50.5Low87 Ų87120 Ų12061%0.60863%0.63SS**THydrogen-bonded Turntrans-77.3-9.1175.961.90000114.8E304 L305 S306E304-S308 PolarHBondContact O-OG 3.48Å; L305-S308 PolarHBondContact O-OG 3.46Å; S306-S308 PolarHBondContact O-N 3.11Å
309N41.7Very low48.7Very low136 Ų136121.7 Ų121.773%0.72764%0.637SS**THydrogen-bonded Turntrans-109.1-2.4-179.9-85.1-68.7000115L305 S306 D307 N311L305-N309 PolarHBondContact O-ND2 2.9Å; S306-N309 PolarHBondContact O-N 2.98Å; D307-N309 VanDerWaalsContact C-N 3.31Å; D307-N309 PolarHBondContact O-N 3.49Å; N309-N311 VanDerWaalsContact C-N 3.35Å; N309-N311 PolarHBondContact O-N 2.93Å
310C41.1Very low47Very low80 Ų80122 Ų12254%0.54164%0.642SS.*  trans-81.379.617766.40000113.1D307D307-C310 PolarHBondContact O-SG 3.41Å; D307-C310 VanDerWaalsContact O-SG 3.33Å
311N34.6Very low45.4Very low145 Ų145121 Ų12178%0.77564%0.644SS**  trans-8159.3166.8-156.77.9000121.9N309N309-N311 VanDerWaalsContact C-N 3.35Å; N309-N311 PolarHBondContact O-N 2.93Å
312V35.2Very low44Very low116 Ų116120.1 Ų120.170%0.70365%0.646SS**  trans94.1135.9159.7-164.30000118.5
313N36.5Very low42.7Very low143 Ų143118.9 Ų118.977%0.76564%0.643SS**  trans-60.1174.1174.7-63.2-67.6000115
314Q34.2Very low41.2Very low180 Ų180120.1 Ų120.184%0.84165%0.648SS**SBendtrans85.7133.4168.6-55-177-16.200116.5
315N34.1Very low40Very low128 Ų128119.5 Ų119.568%0.68465%0.649SS**  trans58.668.8166.3-58.4-3000117.3E317N315-E317 VanDerWaalsContact C-N 3.28Å; N315-E317 PolarHBondContact O-N 3.24Å
316S33.8Very low38.8Very low104 Ų104124 Ų12473%0.72766%0.658SS**THydrogen-bonded Turntrans-62.6-22.3173.9410000115.4Q318 K319S316-Q318 VanDerWaalsContact C-N 3.34Å; S316-Q318 PolarHBondContact O-N 3.14Å; S316-K319 PolarHBondContact O-N 2.92Å
317E41.5Very low37.7Very low179 Ų179130 Ų13084%0.83668%0.676SS**Hα-helixtrans-72-21.7-175.1-63.7-171139.200114.3N315N315-E317 VanDerWaalsContact C-N 3.28Å; N315-E317 PolarHBondContact O-N 3.24Å
318Q39Very low36.4Very low153 Ų153127.8 Ų127.872%0.71568%0.679SS**Hα-helixtrans-90.7-14.2177.5-74.6-173-20.100114.5S316 S321S316-Q318 VanDerWaalsContact C-N 3.34Å; S316-Q318 PolarHBondContact O-N 3.14Å; Q318-S321 PolarHBondContact O-OG 3.32Å
319K37.6Very low35.2Very low135 Ų135130.9 Ų130.959%0.58769%0.687SS**Hα-helixtrans-75.9-29.9173-87.8-173.6173.1-178.90112.6S316 S321 V322 I323S316-K319 PolarHBondContact O-N 2.92Å; K319-S321 PolarHBondContact O-N 3.33Å; K319-V322 PolarHBondContact O-N 3.26Å; K319-I323 WeakPolarHBondContact O-CG1 3.21Å; K319-I323 PolarHBondContact O-N 3.39Å; K319-I323 VanDerWaalsContact O-N 3.13Å
320L36.3Very low34.7Very low106 Ų106133.3 Ų133.356%0.55569%0.692SS**Hα-helixtrans-67.6-36.1-174-155.173.2000113.1I323 M324L320-I323 PolarHBondContact O-N 2.73Å; L320-M324 WeakPolarHBondContact O-CB 3.42Å; L320-M324 WeakPolarHBondContact O-CG 3.47Å; L320-M324 PolarHBondContact O-N 2.83Å
321S34.6Very low34.1Very low65 Ų65134.1 Ų134.146%0.45569%0.691SS.*Hα-helixtrans-69.6-33.6177560000113.1Q318 K319 N325Q318-S321 PolarHBondContact O-OG 3.32Å; K319-S321 PolarHBondContact O-N 3.33Å; S321-N325 VanDerWaalsContact O-CB 3.29Å; S321-N325 WeakPolarHBondContact O-CB 3.41Å; S321-N325 VanDerWaalsContact O-CG 3.26Å; S321-N325 PolarHBondContact O-N 3.2Å; S321-N325 VanDerWaalsContact O-N 3.08Å; S321-N325 PolarHBondContact O-ND2 3.2Å
322V37.7Very low34Very low92 Ų92135.1 Ų135.156%0.55869%0.693SS**Hα-helixtrans-71-39.6175.2-178.20000111.1K319 R326K319-V322 PolarHBondContact O-N 3.26Å; V322-R326 PolarHBondContact O-N 2.74Å
323I38.6Very low34.1Very low106 Ų106134.5 Ų134.554%0.54469%0.689SS.*Hα-helixtrans-69.9-44.3178.1-66.8168.1000111K319 L320 R326K319-I323 WeakPolarHBondContact O-CG1 3.21Å; K319-I323 PolarHBondContact O-N 3.39Å; K319-I323 VanDerWaalsContact O-N 3.13Å; L320-I323 PolarHBondContact O-N 2.73Å; I323-R326 PolarHBondContact O-N 2.84Å
324M33.4Very low34.3Very low128 Ų128133.8 Ų133.863%0.63168%0.681SS**Hα-helixtrans-67-37.3177.7-74.6-171.4166.900112.8L320 R326 K327 G328L320-M324 WeakPolarHBondContact O-CB 3.42Å; L320-M324 WeakPolarHBondContact O-CG 3.47Å; L320-M324 PolarHBondContact O-N 2.83Å; M324-R326 PolarHBondContact O-N 3Å; M324-K327 PolarHBondContact O-N 3.25Å; M324-G328 PolarHBondContact O-N 3.36Å
325N34.2Very low34.5Very low130 Ų130129 Ų12970%0.69567%0.665SS**Hα-helixtrans-67.2-16.7176-77.9-17.8000114S321S321-N325 VanDerWaalsContact O-CB 3.29Å; S321-N325 WeakPolarHBondContact O-CB 3.41Å; S321-N325 VanDerWaalsContact O-CG 3.26Å; S321-N325 PolarHBondContact O-N 3.2Å; S321-N325 VanDerWaalsContact O-N 3.08Å; S321-N325 PolarHBondContact O-ND2 3.2Å
326R34.2Very low35Very low212 Ų212125.4 Ų125.480%0.865%0.645SS**Hα-helixtrans-85.6-18.2173.1-88-174168.4-179.1-3.8114.9V322 I323 M324V322-R326 PolarHBondContact O-N 2.74Å; I323-R326 PolarHBondContact O-N 2.84Å; M324-R326 PolarHBondContact O-N 3Å
327K30.1Very low35.6Very low196 Ų196121.6 Ų121.685%0.85262%0.622SS**SBendtrans-108.210.6175.5-70-168.2172.9-173.90113.6M324M324-K327 PolarHBondContact O-N 3.25Å
328G25.3Very low35.8Very low63 Ų63118.9 Ų118.965%0.64961%0.613SS**SBendtrans-114.48.1-173.400000116.5M324M324-G328 PolarHBondContact O-N 3.36Å
329L26.1Very low36.8Very low152 Ų152112.9 Ų112.980%0.79659%0.589SS**SBendtrans-137.4141.9-178.7-161.170.4000111.1D331L329-D331 PolarHBondContact O-N 3.08Å
330F29.5Very low38Very low186 Ų186107 Ų10782%0.81657%0.565SS**  trans-66.699.1169.2-86.3-104.8000109.4M332F330-M332 VanDerWaalsContact C-N 3.35Å; F330-M332 PolarHBondContact O-N 3.2Å
331D30.4Very low39.3Very low97 Ų97109.4 Ų109.452%0.51957%0.573SS.*  trans-74.190.3173.8-166.9-10.5000110.9L329 T333L329-D331 PolarHBondContact O-N 3.08Å; D331-T333 PolarHBondContact O-N 2.87Å; D331-T333 WeakPolarHBondContact OD1-CA 3.39Å; D331-T333 VanDerWaalsContact OD1-CB 3.28Å; D331-T333 WeakPolarHBondContact OD1-CB 3.27Å; D331-T333 PolarHBondContact OD1-N 2.86Å; D331-T333 PolarHBondContact OD1-OG1 2.95Å; D331-T333 PolarHBondContact OD2-OG1 3.32Å
332M31.5Very low40.9Very low166 Ų166109.4 Ų109.482%0.81858%0.577SS**THydrogen-bonded Turntrans-70.80.3175.1-72.6-75.7-152.500113.6F330F330-M332 VanDerWaalsContact C-N 3.35Å; F330-M332 PolarHBondContact O-N 3.2Å
333T36.7Very low42.7Very low103 Ų103105.7 Ų105.763%0.63255%0.553SS**THydrogen-bonded Turntrans-91.7-23.4-176.972.80000113.9D331 P335D331-T333 PolarHBondContact O-N 2.87Å; D331-T333 WeakPolarHBondContact OD1-CA 3.39Å; D331-T333 VanDerWaalsContact OD1-CB 3.28Å; D331-T333 WeakPolarHBondContact OD1-CB 3.27Å; D331-T333 PolarHBondContact OD1-N 2.86Å; D331-T333 PolarHBondContact OD1-OG1 2.95Å; D331-T333 PolarHBondContact OD2-OG1 3.32Å; T333-P335 WeakPolarHBondContact O-CD 3.37Å
334H41Very low44.9Very low129 Ų129102.6 Ų102.660%0.59754%0.541SS*.  trans-124.575.7179.8-75.3-79.9000113E336H334-E336 PolarHBondContact O-N 3.01Å; H334-E336 VanDerWaalsContact O-N 3.16Å
335P39.5Very low47.3Very low78 Ų7897 Ų9751%0.50651%0.514SS..Hα-helixtrans-66.9-12.9179.628.8-36.5000114.4T333T333-P335 WeakPolarHBondContact O-CD 3.37Å
336E44Very low49.6Very low54 Ų5496 Ų9625%0.25251%0.505SS..Hα-helixtrans-71.3-35.5-178.3-64.4-178.4142.800112.4H334 A339 I340 T410 H411H334-E336 PolarHBondContact O-N 3.01Å; H334-E336 VanDerWaalsContact O-N 3.16Å; E336-A339 PolarHBondContact O-N 3.37Å; E336-I340 WeakPolarHBondContact O-CG1 3.43Å; E336-I340 PolarHBondContact O-N 3.13Å; E336-T410 WeakPolarHBondContact OE1-CA 2.81Å; E336-H411 IonicContact OE1-CD2 2.61Å; E336-H411 PolarHBondContact OE1-N 3.5Å
337G45.5Very low52.2Low24 Ų2490 Ų9025%0.24749%0.485CS..Hα-helixtrans-62.7-55.7-177.400000113.5A339 I340 E341G337-A339 PolarHBondContact O-N 2.92Å; G337-A339 VanDerWaalsContact O-N 3.14Å; G337-I340 WeakPolarHBondContact O-CB 3.47Å; G337-I340 PolarHBondContact O-N 3.47Å; G337-E341 PolarHBondContact O-N 3.22Å
338N47.5Very low54.9Low122 Ų12280.6 Ų80.665%0.65244%0.444SS*.Hα-helixtrans-62.8-21.1178-65.4-10.7000113.1
339A58.6Low57.7Low26 Ų2680.8 Ų80.822%0.21543%0.429CS..Hα-helixtrans-81.8-22175.700000112.9E336 G337 F406E336-A339 PolarHBondContact O-N 3.37Å; G337-A339 PolarHBondContact O-N 2.92Å; G337-A339 VanDerWaalsContact O-N 3.14Å; A339-F406 HydrophobicContact CB-CD2 4.15Å
340I64.2Low60.7Low13 Ų1377.2 Ų77.27%0.06741%0.414CS..Hα-helixtrans-81.9-40.1178.4-74.4169.9000111V293 H296 E336 G337 A342 L343 F406V293-I340 HydrophobicContact CG1-CG2 4.19Å; H296-I340 HydrophobicContact CB-CD1 4.26Å; H296-I340 WeakPolarHBondContact CD2-CD1 3.45Å; E336-I340 WeakPolarHBondContact O-CG1 3.43Å; E336-I340 PolarHBondContact O-N 3.13Å; G337-I340 WeakPolarHBondContact O-CB 3.47Å; G337-I340 PolarHBondContact O-N 3.47Å; I340-A342 PolarHBondContact O-N 3.38Å; I340-A342 VanDerWaalsContact O-N 3.14Å; I340-L343 PolarHBondContact O-N 3.18Å; I340-F406 HydrophobicContact CD1-CE2 3.83Å; I340-F406 HydrophobicContact CD1-CZ 4.22Å; I340-F406 HydrophobicContact CG1-CD2 3.96Å; I340-F406 HydrophobicContact CG1-CE2 3.29Å; I340-F406 HydrophobicContact CG1-CZ 3.9Å
341E63.4Low63.7Low155 Ų15568.5 Ų68.572%0.72438%0.376SS*.THydrogen-bonded Turntrans-59.8-24175.8-66.5-174.1173.200113.4G337 L343G337-E341 PolarHBondContact O-N 3.22Å; E341-L343 VanDerWaalsContact C-N 3.31Å; E341-L343 PolarHBondContact O-N 2.86Å
342A67Low66.5Low65 Ų6565.4 Ų65.454%0.53736%0.358SS..THydrogen-bonded Turntrans-75.4-13.5176.600000114.3I340I340-A342 PolarHBondContact O-N 3.38Å; I340-A342 VanDerWaalsContact O-N 3.14Å
343L76.6Confident69.3Low14 Ų1458.3 Ų58.37%0.07333%0.328CS..  trans-96.5107.8-173.7-70.4177.7000113V289 V293 I340 E341 I345 M348 E402 I403 F406V289-L343 HydrophobicContact CG1-CD1 4.28Å; V293-L343 HydrophobicContact CG2-CD1 3.6Å; I340-L343 PolarHBondContact O-N 3.18Å; E341-L343 VanDerWaalsContact C-N 3.31Å; E341-L343 PolarHBondContact O-N 2.86Å; L343-I345 PolarHBondContact O-N 3.16Å; L343-M348 HydrophobicContact CB-CE 4.08Å; L343-M348 HydrophobicContact CB-SD 4.32Å; L343-M348 HydrophobicContact CD1-SD 4.29Å; L343-M348 HydrophobicContact CD2-SD 4.12Å; L343-E402 HydrophobicContact CD2-CB 3.94Å; L343-I403 HydrophobicContact CD2-CG1 4.39Å; L343-F406 HydrophobicContact CD1-CB 3.66Å; L343-F406 HydrophobicContact CD1-CD1 3.44Å; L343-F406 VanDerWaalsContact CD1-CD1 3.44Å; L343-F406 HydrophobicContact CD1-CD2 4.14Å; L343-F406 HydrophobicContact CD1-CE1 4.08Å; L343-F406 HydrophobicContact CD1-CG 3.46Å; L343-F406 VanDerWaalsContact CD1-CG 3.46Å; L343-F406 HydrophobicContact CD2-CB 4.43Å; L343-F406 HydrophobicContact CG-CB 4.29Å
344S84Confident72Confident41 Ų4154.7 Ų54.729%0.28730%0.303SS..  trans-74.3108.7168.7172.80000111.1E346 K347 M348S344-E346 PolarHBondContact O-N 3.22Å; S344-K347 WeakPolarHBondContact O-CB 3.19Å; S344-K347 PolarHBondContact O-N 3.42Å; S344-K347 VanDerWaalsContact O-N 3.14Å; S344-K347 PolarHBondContact OG-N 3.27Å; S344-M348 WeakPolarHBondContact O-CG 3.48Å; S344-M348 PolarHBondContact O-N 3.46Å; S344-M348 VanDerWaalsContact O-N 3.09Å
345I83.2Confident74.6Confident12 Ų1248.6 Ų48.66%0.06228%0.275CS..Hα-helixtrans-55.8-37.9174.1-77.9161.7000111.9V293 L294 L343 K347 M348 I349 R991V293-I345 HydrophobicContact CB-CD1 4.33Å; V293-I345 HydrophobicContact CB-CG1 4.38Å; V293-I345 HydrophobicContact CG1-CD1 3.61Å; V293-I345 HydrophobicContact CG1-CG1 3.77Å; L294-I345 HydrophobicContact CD2-CD1 3.67Å; L294-I345 HydrophobicContact CG-CD1 3.78Å; L343-I345 PolarHBondContact O-N 3.16Å; I345-K347 PolarHBondContact O-N 2.95Å; I345-M348 HydrophobicContact CB-CE 4.4Å; I345-M348 HydrophobicContact CG1-CE 3.73Å; I345-M348 PolarHBondContact O-N 3.31Å; I345-I349 HydrophobicContact CG2-CD1 3.55Å; I345-I349 HydrophobicContact CG2-CG1 4.15Å; I345-I349 WeakPolarHBondContact O-CB 3.34Å; I345-I349 WeakPolarHBondContact O-CG1 3.28Å; I345-I349 PolarHBondContact O-N 3.26Å; I345-R991 VanDerWaalsContact CD1-NH2 3.29Å
346E83.6Confident77.1Confident109 Ų10947.3 Ų47.351%0.50926%0.264SS..Hα-helixtrans-60.2-45.6176.6-174.6-171.7-16700111.5S344 M348 I349 T350S344-E346 PolarHBondContact O-N 3.22Å; E346-M348 VanDerWaalsContact C-N 3.34Å; E346-M348 PolarHBondContact O-N 2.74Å; E346-I349 PolarHBondContact O-N 2.89Å; E346-T350 WeakPolarHBondContact O-CB 3.11Å; E346-T350 PolarHBondContact O-N 3.5Å; E346-T350 PolarHBondContact O-OG1 2.6Å
347K88.5Confident79.5Confident84 Ų8447.5 Ų47.537%0.36526%0.264SS..Hα-helixtrans-62.8-39.6175.3-66.1-177.8-161.4166.60112S344 I345 T350 L351 V399 E402S344-K347 WeakPolarHBondContact O-CB 3.19Å; S344-K347 PolarHBondContact O-N 3.42Å; S344-K347 VanDerWaalsContact O-N 3.14Å; S344-K347 PolarHBondContact OG-N 3.27Å; I345-K347 PolarHBondContact O-N 2.95Å; K347-T350 WeakPolarHBondContact O-CB 3.48Å; K347-T350 PolarHBondContact O-N 3.46Å; K347-L351 WeakPolarHBondContact O-CB 3.41Å; K347-L351 PolarHBondContact O-N 3.13Å; K347-V399 HydrophobicContact CB-CG1 4.31Å; K347-V399 HydrophobicContact CB-CG2 3.69Å; K347-V399 HydrophobicContact CD-CG2 3.68Å; K347-V399 HydrophobicContact CG-CG2 4.21Å; K347-E402 IonicContact NZ-OE1 2.71Å
348M87.1Confident81.9Confident0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-69.9-40.1178.9-60.9-167.2-67.700112.4V286 V289 C290 V293 L343 S344 I345 E346 L351 K352 V399 I403V286-M348 HydrophobicContact CG1-CB 4.32Å; V286-M348 WeakPolarHBondContact CG1-O 3.41Å; V289-M348 HydrophobicContact CG1-CE 4.36Å; V289-M348 HydrophobicContact CG1-SD 3.65Å; C290-M348 WeakPolarHBondContact SG-CB 2.78Å; V293-M348 HydrophobicContact CB-CE 4.3Å; V293-M348 HydrophobicContact CG1-CE 4.38Å; V293-M348 HydrophobicContact CG2-CE 4.17Å; L343-M348 HydrophobicContact CB-CE 4.08Å; L343-M348 HydrophobicContact CB-SD 4.32Å; L343-M348 HydrophobicContact CD1-SD 4.29Å; L343-M348 HydrophobicContact CD2-SD 4.12Å; S344-M348 WeakPolarHBondContact O-CG 3.48Å; S344-M348 PolarHBondContact O-N 3.46Å; S344-M348 VanDerWaalsContact O-N 3.09Å; I345-M348 HydrophobicContact CB-CE 4.4Å; I345-M348 HydrophobicContact CG1-CE 3.73Å; I345-M348 PolarHBondContact O-N 3.31Å; E346-M348 VanDerWaalsContact C-N 3.34Å; E346-M348 PolarHBondContact O-N 2.74Å; M348-L351 PolarHBondContact O-N 3.14Å; M348-K352 WeakPolarHBondContact O-CB 3.28Å; M348-K352 PolarHBondContact O-N 2.62Å; M348-V399 HydrophobicContact CG-CG1 4.32Å; M348-I403 HydrophobicContact CG-CD1 3.93Å; M348-I403 HydrophobicContact CG-CG1 4.06Å; M348-I403 HydrophobicContact SD-CD1 4.1Å; M348-I403 HydrophobicContact SD-CG1 3.74Å
349I84Confident84.1Confident67 Ų6742.9 Ų42.934%0.34423%0.232SC..Hα-helixtrans-62.8-44.8172.1-70.3170.6000110.2I345 E346 L351 K352 G353I345-I349 HydrophobicContact CG2-CD1 3.55Å; I345-I349 HydrophobicContact CG2-CG1 4.15Å; I345-I349 WeakPolarHBondContact O-CB 3.34Å; I345-I349 WeakPolarHBondContact O-CG1 3.28Å; I345-I349 PolarHBondContact O-N 3.26Å; E346-I349 PolarHBondContact O-N 2.89Å; I349-L351 PolarHBondContact O-N 3.22Å; I349-K352 PolarHBondContact O-N 3.36Å; I349-G353 PolarHBondContact O-N 3.27Å
350T89.2Confident85.9Confident77 Ų7746.5 Ų46.547%0.47224%0.241SC..Hα-helixtrans-56.2-49.6174.8-56.80000111.3E346 K347 K352 G353 Q354E346-T350 WeakPolarHBondContact O-CB 3.11Å; E346-T350 PolarHBondContact O-N 3.5Å; E346-T350 PolarHBondContact O-OG1 2.6Å; K347-T350 WeakPolarHBondContact O-CB 3.48Å; K347-T350 PolarHBondContact O-N 3.46Å; T350-K352 PolarHBondContact O-N 3.01Å; T350-G353 PolarHBondContact O-N 3.45Å; T350-Q354 WeakPolarHBondContact O-CG 3.37Å; T350-Q354 PolarHBondContact O-N 2.89Å
351L92.6Very high87.3Confident3 Ų346 Ų462%0.01624%0.238CC..Hα-helixtrans-58.9-46.7175.7175.761.8000111.9V286 K347 M348 I349 G353 Q354 L355 I396 V399 I400 I403 L421V286-L351 HydrophobicContact CG2-CD2 4.23Å; K347-L351 WeakPolarHBondContact O-CB 3.41Å; K347-L351 PolarHBondContact O-N 3.13Å; M348-L351 PolarHBondContact O-N 3.14Å; I349-L351 PolarHBondContact O-N 3.22Å; L351-G353 VanDerWaalsContact C-N 3.32Å; L351-G353 PolarHBondContact O-N 2.98Å; L351-Q354 PolarHBondContact O-N 3.17Å; L351-L355 HydrophobicContact CD1-CD1 4.1Å; L351-L355 HydrophobicContact CD1-CD2 4.48Å; L351-L355 HydrophobicContact CD1-CG 4.08Å; L351-L355 HydrophobicContact CG-CD1 4.19Å; L351-L355 WeakPolarHBondContact O-CG 3.27Å; L351-L355 PolarHBondContact O-N 3.25Å; L351-I396 HydrophobicContact CD1-CG1 4.28Å; L351-I396 HydrophobicContact CD1-CG2 3.85Å; L351-V399 HydrophobicContact CB-CG1 4.38Å; L351-V399 HydrophobicContact CD2-CG1 3.83Å; L351-I400 HydrophobicContact CD1-CD1 4.49Å; L351-I400 HydrophobicContact CD1-CG1 4.48Å; L351-I400 HydrophobicContact CD2-CG1 3.73Å; L351-I403 HydrophobicContact CD2-CD1 3.89Å; L351-L421 HydrophobicContact CD2-CD2 4.37Å
352K89.5Confident88.8Confident31 Ų3138.9 Ų38.914%0.13521%0.205CC..Hα-helixtrans-57.8-44.6178-169.5-174.5172.4-169.20111.4I283 V286 M348 I349 T350 L355 I356I283-K352 HydrophobicContact CG2-CG 4.31Å; V286-K352 HydrophobicContact CB-CB 4.43Å; V286-K352 HydrophobicContact CG1-CB 3.85Å; V286-K352 HydrophobicContact CG1-CG 4.44Å; M348-K352 WeakPolarHBondContact O-CB 3.28Å; M348-K352 PolarHBondContact O-N 2.62Å; I349-K352 PolarHBondContact O-N 3.36Å; T350-K352 PolarHBondContact O-N 3.01Å; K352-L355 PolarHBondContact O-N 3.04Å; K352-I356 HydrophobicContact CD-CD1 4.49Å; K352-I356 HydrophobicContact CG-CD1 3.96Å; K352-I356 WeakPolarHBondContact O-CG1 3.4Å; K352-I356 PolarHBondContact O-N 2.98Å
353G88.8Confident89.9Confident18 Ų1840.4 Ų40.419%0.18620%0.204CC..Hα-helixtrans-62.1-43.9176.900000113.1I349 T350 L351 L355 I356 E357I349-G353 PolarHBondContact O-N 3.27Å; T350-G353 PolarHBondContact O-N 3.45Å; L351-G353 VanDerWaalsContact C-N 3.32Å; L351-G353 PolarHBondContact O-N 2.98Å; G353-L355 VanDerWaalsContact C-N 3.34Å; G353-L355 PolarHBondContact O-N 3.12Å; G353-I356 PolarHBondContact O-N 3.46Å; G353-E357 PolarHBondContact O-N 2.82Å
354Q94.9Very high90.6Very high27 Ų2745.4 Ų45.413%0.12623%0.227CC..Hα-helixtrans-61.8-39.2175.2-69.1175.9-47.200112.3T350 L351 L358 A386 G387 I388T350-Q354 WeakPolarHBondContact O-CG 3.37Å; T350-Q354 PolarHBondContact O-N 2.89Å; L351-Q354 PolarHBondContact O-N 3.17Å; Q354-L358 WeakPolarHBondContact O-CB 3.48Å; Q354-L358 PolarHBondContact O-N 2.8Å; Q354-A386 WeakPolarHBondContact CG-O 3.42Å; Q354-G387 PolarHBondContact NE2-O 3.21Å; Q354-I388 HydrophobicContact CB-CD1 4.27Å; Q354-I388 HydrophobicContact CB-CG1 4.08Å
355L94.8Very high91Very high0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-72.3-36.9177.9-63.9-179.7000112.7L279 A282 I283 L351 K352 G353 L358 E359 L421 V424L279-L355 HydrophobicContact CD1-CB 4.11Å; L279-L355 HydrophobicContact CD1-CD2 3.94Å; L279-L355 HydrophobicContact CD1-CG 4.48Å; A282-L355 HydrophobicContact CB-CD1 4.18Å; I283-L355 HydrophobicContact CD1-CB 4.24Å; I283-L355 HydrophobicContact CG1-CB 3.59Å; L351-L355 HydrophobicContact CD1-CD1 4.1Å; L351-L355 HydrophobicContact CD1-CD2 4.48Å; L351-L355 HydrophobicContact CD1-CG 4.08Å; L351-L355 HydrophobicContact CG-CD1 4.19Å; L351-L355 WeakPolarHBondContact O-CG 3.27Å; L351-L355 PolarHBondContact O-N 3.25Å; K352-L355 PolarHBondContact O-N 3.04Å; G353-L355 VanDerWaalsContact C-N 3.34Å; G353-L355 PolarHBondContact O-N 3.12Å; L355-L358 PolarHBondContact O-N 2.98Å; L355-E359 PolarHBondContact O-N 3.2Å; L355-L421 HydrophobicContact CD1-CD2 4.21Å; L355-V424 HydrophobicContact CD2-CG1 3.73Å
356I92Very high91.5Very high52 Ų5251.1 Ų51.127%0.26725%0.254SS..Hα-helixtrans-65.5-44.3173.7-71167.5000111.1I283 K352 G353 L358 E359 R360I283-I356 HydrophobicContact CD1-CG1 4.08Å; I283-I356 HydrophobicContact CG1-CG1 4.24Å; I283-I356 HydrophobicContact CG2-CD1 4.02Å; I283-I356 HydrophobicContact CG2-CG1 3.65Å; K352-I356 HydrophobicContact CD-CD1 4.49Å; K352-I356 HydrophobicContact CG-CD1 3.96Å; K352-I356 WeakPolarHBondContact O-CG1 3.4Å; K352-I356 PolarHBondContact O-N 2.98Å; G353-I356 PolarHBondContact O-N 3.46Å; I356-L358 VanDerWaalsContact C-N 3.31Å; I356-L358 PolarHBondContact O-N 3.27Å; I356-E359 PolarHBondContact O-N 3.03Å; I356-R360 WeakPolarHBondContact O-CB 3.45Å; I356-R360 PolarHBondContact O-N 2.85Å
357E95.3Very high91.9Very high57 Ų5746.8 Ų46.827%0.26624%0.235SC..Hα-helixtrans-65.1-37.3175.9177.659.4-167.100111.2G353 R360 L361 A386G353-E357 PolarHBondContact O-N 2.82Å; E357-R360 PolarHBondContact O-N 3.34Å; E357-R360 IonicContact OE1-CZ 2.85Å; E357-R360 IonicContact OE1-NE 3.63Å; E357-R360 IonicContact OE1-NH2 2.78Å; E357-R360 PolarHBondContact OE1-NH2 3.42Å; E357-R360 IonicContact OE2-CZ 2.66Å; E357-R360 IonicContact OE2-NE 3.7Å; E357-R360 PolarHBondContact OE2-NE 3.11Å; E357-R360 IonicContact OE2-NH2 3.79Å; E357-R360 PolarHBondContact OE2-NH2 2.96Å; E357-L361 HydrophobicContact CG-CD1 3.85Å; E357-L361 HydrophobicContact CG-CG 4.35Å; E357-L361 VanDerWaalsContact O-CB 3.29Å; E357-L361 WeakPolarHBondContact O-CB 3.39Å; E357-L361 WeakPolarHBondContact O-CD1 3.43Å; E357-L361 WeakPolarHBondContact O-CG 3.45Å; E357-L361 PolarHBondContact O-N 3.49Å; E357-L361 WeakPolarHBondContact OE1-CD1 3.47Å; E357-L361 WeakPolarHBondContact OE1-CG 3.12Å; E357-A386 HydrophobicContact CB-CB 4.46Å; E357-A386 HydrophobicContact CG-CB 4.22Å
358L94.8Very high92.2Very high4 Ų444.6 Ų44.62%0.02123%0.23CC..Hα-helixtrans-61.3-44.5171.7-178.858.4000111.8L279 Q354 L355 I356 L361 I362 L382 L383 A386 I388L279-L358 HydrophobicContact CD1-CD2 4.47Å; L279-L358 HydrophobicContact CD2-CD2 4.4Å; L279-L358 HydrophobicContact CD2-CG 4.16Å; Q354-L358 WeakPolarHBondContact O-CB 3.48Å; Q354-L358 PolarHBondContact O-N 2.8Å; L355-L358 PolarHBondContact O-N 2.98Å; I356-L358 VanDerWaalsContact C-N 3.31Å; I356-L358 PolarHBondContact O-N 3.27Å; L358-L361 PolarHBondContact O-N 3.4Å; L358-I362 HydrophobicContact CD1-CD1 3.85Å; L358-I362 HydrophobicContact CD1-CG1 4.17Å; L358-I362 HydrophobicContact CG-CD1 3.78Å; L358-I362 HydrophobicContact CG-CG1 4.49Å; L358-I362 WeakPolarHBondContact O-CB 3.31Å; L358-I362 WeakPolarHBondContact O-CD1 3.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.88Å; L358-L382 HydrophobicContact CD1-CG 4.42Å; L358-L383 HydrophobicContact CD1-CD2 3.91Å; L358-L383 HydrophobicContact CD2-CD2 3.94Å; L358-A386 HydrophobicContact CB-CB 3.84Å; L358-A386 HydrophobicContact CD1-CB 4.41Å; L358-I388 HydrophobicContact CD2-CD1 4.14Å
359E95Very high92.2Very high45 Ų4550.8 Ų50.821%0.2127%0.27CS..Hα-helixtrans-60.5-48.2176.6-173.9166.7-109.600111.4L279 A280 I283 L355 I356 L361 I362 D363L279-E359 HydrophobicContact CD2-CB 3.77Å; L279-E359 HydrophobicContact CD2-CG 4.37Å; L279-E359 HydrophobicContact CG-CB 4.26Å; A280-E359 WeakPolarHBondContact CB-OE1 3.44Å; A280-E359 PolarHBondContact N-OE1 3.45Å; I283-E359 HydrophobicContact CD1-CB 4.01Å; I283-E359 HydrophobicContact CD1-CG 4.46Å; I283-E359 WeakPolarHBondContact CD1-OE2 3.48Å; L355-E359 PolarHBondContact O-N 3.2Å; I356-E359 PolarHBondContact O-N 3.03Å; E359-L361 PolarHBondContact O-N 3.49Å; E359-I362 WeakPolarHBondContact O-CB 3.5Å; E359-I362 PolarHBondContact O-N 3.2Å; E359-I362 VanDerWaalsContact O-N 3.12Å; E359-D363 PolarHBondContact O-N 3.29Å
360R94.8Very high92.3Very high102 Ų10253.9 Ų53.939%0.38528%0.283SS..Hα-helixtrans-56.1-47.1175.1-166.2-16871.168.811.2112I356 E357 I362 D363 E364I356-R360 WeakPolarHBondContact O-CB 3.45Å; I356-R360 PolarHBondContact O-N 2.85Å; E357-R360 PolarHBondContact O-N 3.34Å; E357-R360 IonicContact OE1-CZ 2.85Å; E357-R360 IonicContact OE1-NE 3.63Å; E357-R360 IonicContact OE1-NH2 2.78Å; E357-R360 PolarHBondContact OE1-NH2 3.42Å; E357-R360 IonicContact OE2-CZ 2.66Å; E357-R360 IonicContact OE2-NE 3.7Å; E357-R360 PolarHBondContact OE2-NE 3.11Å; E357-R360 IonicContact OE2-NH2 3.79Å; E357-R360 PolarHBondContact OE2-NH2 2.96Å; R360-I362 VanDerWaalsContact C-N 3.28Å; R360-I362 PolarHBondContact O-N 3.33Å; R360-D363 PolarHBondContact O-N 2.95Å; R360-E364 IonicContact CZ-OE2 3.76Å; R360-E364 IonicContact NH1-OE1 2.76Å; R360-E364 PolarHBondContact NH1-OE1 3.42Å; R360-E364 IonicContact NH1-OE2 2.78Å; R360-E364 PolarHBondContact NH1-OE2 3.1Å; R360-E364 IonicContact NH2-OE2 2.69Å; R360-E364 WeakPolarHBondContact O-CG 3.29Å; R360-E364 PolarHBondContact O-N 3.44Å
361L94.7Very high92.5Very high2 Ų250.6 Ų50.61%0.0126%0.264CS..Hα-helixtrans-67.3-26.6179.2-73.2168.9000113.5E357 L358 E359 L365 L382 R385 A386E357-L361 HydrophobicContact CG-CD1 3.85Å; E357-L361 HydrophobicContact CG-CG 4.35Å; E357-L361 VanDerWaalsContact O-CB 3.29Å; E357-L361 WeakPolarHBondContact O-CB 3.39Å; E357-L361 WeakPolarHBondContact O-CD1 3.43Å; E357-L361 WeakPolarHBondContact O-CG 3.45Å; E357-L361 PolarHBondContact O-N 3.49Å; E357-L361 WeakPolarHBondContact OE1-CD1 3.47Å; E357-L361 WeakPolarHBondContact OE1-CG 3.12Å; L358-L361 PolarHBondContact O-N 3.4Å; E359-L361 PolarHBondContact O-N 3.49Å; L361-L365 WeakPolarHBondContact O-CG 3.04Å; L361-L382 HydrophobicContact CB-CD1 3.91Å; L361-R385 HydrophobicContact CD1-CB 3.65Å; L361-R385 HydrophobicContact CD2-CB 4.39Å; L361-A386 HydrophobicContact CD1-CB 4.03Å
362I93.4Very high92.7Very high7 Ų751.8 Ų51.84%0.03627%0.271CS..Hα-helixtrans-76.9-41.9175.5-74.3170.5000110.9L279 L358 E359 R360 L365 L382 R495 I497L279-I362 HydrophobicContact CD2-CD1 3.83Å; L358-I362 HydrophobicContact CD1-CD1 3.85Å; L358-I362 HydrophobicContact CD1-CG1 4.17Å; L358-I362 HydrophobicContact CG-CD1 3.78Å; L358-I362 HydrophobicContact CG-CG1 4.49Å; L358-I362 WeakPolarHBondContact O-CB 3.31Å; L358-I362 WeakPolarHBondContact O-CD1 3.28Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.88Å; E359-I362 WeakPolarHBondContact O-CB 3.5Å; E359-I362 PolarHBondContact O-N 3.2Å; E359-I362 VanDerWaalsContact O-N 3.12Å; R360-I362 VanDerWaalsContact C-N 3.28Å; R360-I362 PolarHBondContact O-N 3.33Å; I362-L365 WeakPolarHBondContact O-CB 3.24Å; I362-L365 PolarHBondContact O-N 2.65Å; I362-L382 HydrophobicContact CG1-CD2 4.31Å; I362-R495 HydrophobicContact CG2-CG 4.12Å; I362-R495 PolarHBondContact O-NH1 2.97Å; I362-I497 HydrophobicContact CB-CD1 4.22Å; I362-I497 HydrophobicContact CD1-CD1 3.65Å; I362-I497 HydrophobicContact CG1-CD1 3.5Å; I362-I497 VanDerWaalsContact CG1-CD1 3.5Å; I362-I497 HydrophobicContact CG2-CD1 3.82Å; I362-I497 HydrophobicContact CG2-CG1 4.47Å
363D90Very high93Very high96 Ų9652.9 Ų52.951%0.51328%0.28SS..Hα-helixtrans-71.8-32.7-179.6-803000112.3E359 R360 L365 R495E359-D363 PolarHBondContact O-N 3.29Å; R360-D363 PolarHBondContact O-N 2.95Å; D363-L365 PolarHBondContact O-N 3.17Å; D363-L365 VanDerWaalsContact O-N 3.13Å; D363-R495 PolarHBondContact O-NH1 2.99Å
364E92.4Very high93.3Very high120 Ų12055.9 Ų55.956%0.56129%0.288SS*.THydrogen-bonded Turntrans-63.5-11.9172.2-78.4-171.6152.800114.7R360 N366R360-E364 IonicContact CZ-OE2 3.76Å; R360-E364 IonicContact NH1-OE1 2.76Å; R360-E364 PolarHBondContact NH1-OE1 3.42Å; R360-E364 IonicContact NH1-OE2 2.78Å; R360-E364 PolarHBondContact NH1-OE2 3.1Å; R360-E364 IonicContact NH2-OE2 2.69Å; R360-E364 WeakPolarHBondContact O-CG 3.29Å; R360-E364 PolarHBondContact O-N 3.44Å; E364-N366 PolarHBondContact O-N 2.81Å
365L93Very high93.2Very high26 Ų2659.5 Ų59.514%0.13631%0.308CS..SBendtrans-71.8123.6176.8-60176.4000110.9L361 I362 D363 V367 L372 F378 L382 I464 R495L361-L365 WeakPolarHBondContact O-CG 3.04Å; I362-L365 WeakPolarHBondContact O-CB 3.24Å; I362-L365 PolarHBondContact O-N 2.65Å; D363-L365 PolarHBondContact O-N 3.17Å; D363-L365 VanDerWaalsContact O-N 3.13Å; L365-V367 HydrophobicContact CB-CG2 4.29Å; L365-V367 PolarHBondContact O-N 2.99Å; L365-V367 VanDerWaalsContact O-N 3.13Å; L365-L372 HydrophobicContact CB-CD2 4.42Å; L365-F378 HydrophobicContact CD2-CE1 4.49Å; L365-F378 HydrophobicContact CD2-CZ 4.2Å; L365-L382 HydrophobicContact CD1-CD2 4.47Å; L365-I464 HydrophobicContact CD1-CD1 3.46Å; L365-I464 VanDerWaalsContact CD1-CD1 3.46Å; L365-R495 PolarHBondContact O-NH1 3.07Å; L365-R495 PolarHBondContact O-NH2 2.7Å
366N93Very high93Very high146 Ų14659.6 Ų59.678%0.78131%0.309SS*.  trans-74.9101.1170.9-1739.7000109.7E364E364-N366 PolarHBondContact O-N 2.81Å
367V93.1Very high93Very high18 Ų1860.2 Ų60.211%0.10932%0.318CS..  trans-101.8119.8-178.4179.10000109.2L365 L372 I464L365-V367 HydrophobicContact CB-CG2 4.29Å; L365-V367 PolarHBondContact O-N 2.99Å; L365-V367 VanDerWaalsContact O-N 3.13Å; V367-L372 HydrophobicContact CG1-CB 4.39Å; V367-L372 HydrophobicContact CG2-CB 4.21Å; V367-I464 WeakPolarHBondContact CG1-O 3.35Å; V367-I464 HydrophobicContact CG2-CB 4.47Å; V367-I464 HydrophobicContact CG2-CG2 3.73Å
368P92.8Very high92.9Very high39 Ų3959.8 Ų59.825%0.25332%0.315SS..  trans-79.9166.4175.836.7-36.9000111.1E370 G371P368-E370 WeakPolarHBondContact CB-OE1 3.47Å; P368-E370 HydrophobicContact CG-CG 4.25Å; P368-E370 WeakPolarHBondContact CG-OE1 3.18Å; P368-E370 PolarHBondContact O-N 2.89Å; P368-E370 VanDerWaalsContact O-N 3.14Å; P368-G371 WeakPolarHBondContact O-CA 3.48Å; P368-G371 PolarHBondContact O-N 3.01Å
369P87.6Confident92.8Very high129 Ų12959.7 Ų59.784%0.83831%0.314SS*.THydrogen-bonded Turntrans-56.9-30.8-175.5-26.736.1000115.4G371P369-G371 VanDerWaalsContact C-N 3.3Å
370E87.4Confident92.7Very high132 Ų13259.6 Ų59.662%0.61731%0.314SS*.THydrogen-bonded Turntrans-78.5-8175.566.9-82-171.400114.4P368P368-E370 WeakPolarHBondContact CB-OE1 3.47Å; P368-E370 HydrophobicContact CG-CG 4.25Å; P368-E370 WeakPolarHBondContact CG-OE1 3.18Å; P368-E370 PolarHBondContact O-N 2.89Å; P368-E370 VanDerWaalsContact O-N 3.14Å
371G93.3Very high92.5Very high8 Ų857.6 Ų57.68%0.08231%0.31CS..  trans89.7145.6-176.500000113.9P368 P369 I464P368-G371 WeakPolarHBondContact O-CA 3.48Å; P368-G371 PolarHBondContact O-N 3.01Å; P369-G371 VanDerWaalsContact C-N 3.3Å; G371-I464 CarbonylContact C-O 3.54Å; G371-I464 WeakPolarHBondContact CA-O 3.35Å
372L95.7Very high92.5Very high29 Ų2957.5 Ų57.515%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-88.8122178.9179.267.9000110.2L365 V367 I464L365-L372 HydrophobicContact CB-CD2 4.42Å; V367-L372 HydrophobicContact CG1-CB 4.39Å; V367-L372 HydrophobicContact CG2-CB 4.21Å; L372-I464 HydrophobicContact CB-CB 4.38Å; L372-I464 PolarHBondContact N-O 2.96Å; L372-I464 PolarHBondContact O-N 3.49Å
373T96.6Very high92.5Very high53 Ų5357.2 Ų57.233%0.32531%0.308SS..EExtended strand (participates in β ladder)trans-107.8143173.5-51.50000111.8R461 L462 H463 L702T373-R461 HydrophobicContact CG2-CB 4.46Å; T373-L462 CarbonylContact C-O 3.46Å; T373-L462 WeakPolarHBondContact CA-O 3.39Å; T373-H463 PolarHBondContact OG1-ND1 3.22Å; T373-L702 HydrophobicContact CG2-CD1 3.63Å; T373-L702 HydrophobicContact CG2-CD2 3.82Å; T373-L702 HydrophobicContact CG2-CG 4.39Å
374K95.6Very high92.6Very high82 Ų8255.6 Ų55.636%0.35731%0.305SS..EExtended strand (participates in β ladder)trans-136160.3173.5-58.9-65.4179.3-165.70111.2F378 L462K374-F378 HydrophobicContact CB-CB 3.74Å; K374-F378 HydrophobicContact CB-CD1 4.17Å; K374-F378 HydrophobicContact CB-CG 3.96Å; K374-F378 HydrophobicContact CG-CB 4.25Å; K374-F378 HydrophobicContact CG-CD1 3.88Å; K374-F378 HydrophobicContact CG-CD2 4.37Å; K374-F378 HydrophobicContact CG-CE1 4.33Å; K374-F378 HydrophobicContact CG-CG 3.9Å; K374-L462 HydrophobicContact CB-CB 4.39Å; K374-L462 PolarHBondContact N-O 3.24Å; K374-L462 PolarHBondContact O-N 3.21Å
375D92.8Very high92.5Very high103 Ų10355.8 Ų55.855%0.55130%0.3SS*.EExtended strand (participates in β ladder)trans-57.2149.5165.1-66.5-71.9000111.5S377 F378D375-S377 PolarHBondContact O-N 3.06Å; D375-F378 WeakPolarHBondContact O-CB 3.19Å; D375-F378 PolarHBondContact O-N 3.09Å
376G90.5Very high92.5Very high1 Ų154.8 Ų54.81%0.0130%0.295CS..THydrogen-bonded Turntrans-56.6-24179.300000114.3F378 I379 Y460G376-F378 VanDerWaalsContact C-N 3.26Å; G376-F378 PolarHBondContact O-N 3.25Å; G376-I379 WeakPolarHBondContact O-CG2 3.41Å; G376-Y460 PolarHBondContact N-O 2.88Å
377S90.5Very high92.3Very high65 Ų6549.3 Ų49.346%0.45527%0.274SS..THydrogen-bonded Turntrans-67.2-21.6177.151.40000114.3D375 I379 F380 I457D375-S377 PolarHBondContact O-N 3.06Å; S377-I379 VanDerWaalsContact C-N 3.25Å; S377-I379 PolarHBondContact O-N 3Å; S377-F380 PolarHBondContact O-N 3.02Å; S377-I457 VanDerWaalsContact N-CG2 3.32Å
378F94Very high92.3Very high48 Ų4848.5 Ų48.521%0.21127%0.269CS..Hα-helixtrans-65.5-26.8-177.4-177.8-96.8000113L365 K374 D375 G376 F380 D381 L382 L462L365-F378 HydrophobicContact CD2-CE1 4.49Å; L365-F378 HydrophobicContact CD2-CZ 4.2Å; K374-F378 HydrophobicContact CB-CB 3.74Å; K374-F378 HydrophobicContact CB-CD1 4.17Å; K374-F378 HydrophobicContact CB-CG 3.96Å; K374-F378 HydrophobicContact CG-CB 4.25Å; K374-F378 HydrophobicContact CG-CD1 3.88Å; K374-F378 HydrophobicContact CG-CD2 4.37Å; K374-F378 HydrophobicContact CG-CE1 4.33Å; K374-F378 HydrophobicContact CG-CG 3.9Å; D375-F378 WeakPolarHBondContact O-CB 3.19Å; D375-F378 PolarHBondContact O-N 3.09Å; G376-F378 VanDerWaalsContact C-N 3.26Å; G376-F378 PolarHBondContact O-N 3.25Å; F378-F380 PolarHBondContact O-N 3.21Å; F378-D381 PolarHBondContact O-N 3.01Å; F378-L382 HydrophobicContact CE1-CB 4.29Å; F378-L382 HydrophobicContact CE1-CD2 4.42Å; F378-L382 PolarHBondContact O-N 2.98Å; F378-L382 VanDerWaalsContact O-N 3.11Å; F378-L462 HydrophobicContact CD1-CD2 3.73Å; F378-L462 HydrophobicContact CE1-CD2 4.43Å
379I93.6Very high92.2Very high2 Ų249 Ų491%0.0127%0.27CS..Hα-helixtrans-64.4-31-179.4-163.351.9000112.4G376 S377 L382 L383 F427 V431 L462 Y499G376-I379 WeakPolarHBondContact O-CG2 3.41Å; S377-I379 VanDerWaalsContact C-N 3.25Å; S377-I379 PolarHBondContact O-N 3Å; I379-L382 HydrophobicContact CD1-CD2 4.14Å; I379-L383 HydrophobicContact CD1-CD1 4.37Å; I379-L383 HydrophobicContact CD1-CG 4.24Å; I379-L383 HydrophobicContact CG1-CD1 3.92Å; I379-L383 HydrophobicContact CG1-CG 4.27Å; I379-L383 VanDerWaalsContact O-CB 3.31Å; I379-L383 WeakPolarHBondContact O-CB 3.45Å; I379-L383 VanDerWaalsContact O-CG 3.27Å; I379-L383 WeakPolarHBondContact O-CG 3.43Å; I379-L383 PolarHBondContact O-N 3.06Å; I379-F427 HydrophobicContact CD1-CE1 4Å; I379-F427 HydrophobicContact CD1-CZ 3.85Å; I379-F427 HydrophobicContact CG1-CE1 4.25Å; I379-F427 HydrophobicContact CG1-CZ 4.22Å; I379-V431 HydrophobicContact CG1-CG1 4.2Å; I379-V431 HydrophobicContact CG1-CG2 4.09Å; I379-V431 HydrophobicContact CG2-CG1 3.73Å; I379-V431 HydrophobicContact CG2-CG2 4.48Å; I379-L462 HydrophobicContact CB-CD1 4.26Å; I379-L462 HydrophobicContact CB-CD2 4.45Å; I379-L462 HydrophobicContact CD1-CD1 3.98Å; I379-L462 HydrophobicContact CD1-CD2 4.16Å; I379-L462 HydrophobicContact CG1-CD1 4.26Å; I379-Y499 HydrophobicContact CB-CD2 4.47Å; I379-Y499 HydrophobicContact CB-CE2 4.43Å; I379-Y499 HydrophobicContact CG2-CD2 4.23Å; I379-Y499 HydrophobicContact CG2-CE2 3.77Å
380F92.9Very high92Very high44 Ų4445 Ų4519%0.19324%0.24CC..Hα-helixtrans-73.2-34.6178.3-54.9-68.2000112.2S377 F378 S384 V431 F432 L435 I457S377-F380 PolarHBondContact O-N 3.02Å; F378-F380 PolarHBondContact O-N 3.21Å; F380-S384 WeakPolarHBondContact O-CB 3.45Å; F380-S384 PolarHBondContact O-N 2.74Å; F380-S384 PolarHBondContact O-OG 3.43Å; F380-S384 VanDerWaalsContact O-OG 3.07Å; F380-V431 HydrophobicContact CD1-CG1 4.11Å; F380-V431 HydrophobicContact CE1-CG1 3.56Å; F380-V431 HydrophobicContact CZ-CG1 4.18Å; F380-F432 HydrophobicContact CD1-CD1 4.4Å; F380-F432 AromaticContact CD1-CE1 3.88Å; F380-F432 HydrophobicContact CD1-CE1 3.88Å; F380-F432 HydrophobicContact CE1-CD1 4.19Å; F380-F432 HydrophobicContact CE1-CE1 4.12Å; F380-L435 HydrophobicContact CE1-CD1 3.82Å; F380-L435 HydrophobicContact CZ-CD1 4.24Å; F380-I457 HydrophobicContact CD2-CD1 4.48Å; F380-I457 HydrophobicContact CE2-CD1 3.87Å; F380-I457 HydrophobicContact CE2-CG1 4.19Å
381D90.8Very high91.8Very high59 Ų5948.1 Ų48.132%0.31625%0.246SC..Hα-helixtrans-62.3-53.4171.2-175.397.7000109.9F378 L383 S384 R385F378-D381 PolarHBondContact O-N 3.01Å; D381-L383 PolarHBondContact O-N 3.47Å; D381-S384 PolarHBondContact O-N 2.82Å; D381-S384 PolarHBondContact O-OG 2.89Å; D381-R385 WeakPolarHBondContact O-CG 3.29Å; D381-R385 PolarHBondContact O-N 3.15Å; D381-R385 VanDerWaalsContact O-N 3.11Å; D381-R385 WeakPolarHBondContact OD2-CD 3.43Å; D381-R385 IonicContact OD2-NH1 2.74Å
382L93Very high91.5Very high1 Ų149.7 Ų49.71%0.00525%0.254CS..Hα-helixtrans-57.3-49.2-179.1-173.467.5000112.3L358 L361 I362 L365 F378 I379 I497L358-L382 HydrophobicContact CD1-CG 4.42Å; L361-L382 HydrophobicContact CB-CD1 3.91Å; I362-L382 HydrophobicContact CG1-CD2 4.31Å; L365-L382 HydrophobicContact CD1-CD2 4.47Å; F378-L382 HydrophobicContact CE1-CB 4.29Å; F378-L382 HydrophobicContact CE1-CD2 4.42Å; F378-L382 PolarHBondContact O-N 2.98Å; F378-L382 VanDerWaalsContact O-N 3.11Å; I379-L382 HydrophobicContact CD1-CD2 4.14Å; L382-I497 HydrophobicContact CD2-CD1 4.39Å
383L94.1Very high91.2Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-67-40.9177.7-71.3173.1000112.2L358 I379 D381 R385 A386 G387 I388 L428 V431 F432L358-L383 HydrophobicContact CD1-CD2 3.91Å; L358-L383 HydrophobicContact CD2-CD2 3.94Å; I379-L383 HydrophobicContact CD1-CD1 4.37Å; I379-L383 HydrophobicContact CD1-CG 4.24Å; I379-L383 HydrophobicContact CG1-CD1 3.92Å; I379-L383 HydrophobicContact CG1-CG 4.27Å; I379-L383 VanDerWaalsContact O-CB 3.31Å; I379-L383 WeakPolarHBondContact O-CB 3.45Å; I379-L383 VanDerWaalsContact O-CG 3.27Å; I379-L383 WeakPolarHBondContact O-CG 3.43Å; I379-L383 PolarHBondContact O-N 3.06Å; D381-L383 PolarHBondContact O-N 3.47Å; L383-R385 VanDerWaalsContact C-N 3.25Å; L383-R385 PolarHBondContact O-N 3.49Å; L383-A386 CarbonylContact O-C 3.57Å; L383-A386 WeakPolarHBondContact O-CA 3.23Å; L383-A386 WeakPolarHBondContact O-CB 3.45Å; L383-A386 PolarHBondContact O-N 3.08Å; L383-G387 PolarHBondContact O-N 3.26Å; L383-I388 CarbonylContact C-O 3.55Å; L383-I388 HydrophobicContact CB-CB 4.11Å; L383-I388 HydrophobicContact CB-CG2 4.34Å; L383-I388 WeakPolarHBondContact CB-O 3.47Å; L383-I388 HydrophobicContact CD2-CB 4.28Å; L383-I388 HydrophobicContact CD2-CD1 4.26Å; L383-I388 HydrophobicContact CD2-CG2 4.2Å; L383-I388 WeakPolarHBondContact O-CA 3.32Å; L383-I388 WeakPolarHBondContact O-CB 3.3Å; L383-I388 PolarHBondContact O-N 3.09Å; L383-I388 VanDerWaalsContact O-O 3.05Å; L383-L428 HydrophobicContact CD1-CD2 3.96Å; L383-L428 HydrophobicContact CD2-CD2 3.78Å; L383-V431 HydrophobicContact CD1-CG1 3.8Å; L383-F432 HydrophobicContact CB-CZ 4.46Å; L383-F432 HydrophobicContact CD1-CE2 3.87Å; L383-F432 HydrophobicContact CD1-CZ 3.86Å
384S91.4Very high90.7Very high63 Ų6350.4 Ų50.444%0.44126%0.256SS..Hα-helixtrans-64.4-31.8-178.1710000112.8F380 D381 A386 G387 I388F380-S384 WeakPolarHBondContact O-CB 3.45Å; F380-S384 PolarHBondContact O-N 2.74Å; F380-S384 PolarHBondContact O-OG 3.43Å; F380-S384 VanDerWaalsContact O-OG 3.07Å; D381-S384 PolarHBondContact O-N 2.82Å; D381-S384 PolarHBondContact O-OG 2.89Å; S384-A386 VanDerWaalsContact C-N 3.29Å; S384-A386 PolarHBondContact O-N 2.92Å; S384-G387 WeakPolarHBondContact O-CA 3.19Å; S384-G387 PolarHBondContact O-N 3.18Å; S384-I388 WeakPolarHBondContact CA-O 3.31Å; S384-I388 PolarHBondContact N-O 2.89Å
385R91.7Very high90.3Very high124 Ų12450.3 Ų50.347%0.46826%0.262SS..Hα-helixtrans-67.3-29.8173.4-71166.559.8-167.8-3.8112.2L361 D381 L383 G387L361-R385 HydrophobicContact CD1-CB 3.65Å; L361-R385 HydrophobicContact CD2-CB 4.39Å; D381-R385 WeakPolarHBondContact O-CG 3.29Å; D381-R385 PolarHBondContact O-N 3.15Å; D381-R385 VanDerWaalsContact O-N 3.11Å; D381-R385 WeakPolarHBondContact OD2-CD 3.43Å; D381-R385 IonicContact OD2-NH1 2.74Å; L383-R385 VanDerWaalsContact C-N 3.25Å; L383-R385 PolarHBondContact O-N 3.49Å; R385-G387 PolarHBondContact O-N 3.08Å
386A92.4Very high90.3Very high4 Ų445.6 Ų45.63%0.03324%0.237CC..THydrogen-bonded Turntrans-80.18.1168.100000114Q354 E357 L358 L361 L383 S384 I388Q354-A386 WeakPolarHBondContact CG-O 3.42Å; E357-A386 HydrophobicContact CB-CB 4.46Å; E357-A386 HydrophobicContact CG-CB 4.22Å; L358-A386 HydrophobicContact CB-CB 3.84Å; L358-A386 HydrophobicContact CD1-CB 4.41Å; L361-A386 HydrophobicContact CD1-CB 4.03Å; L383-A386 CarbonylContact O-C 3.57Å; L383-A386 WeakPolarHBondContact O-CA 3.23Å; L383-A386 WeakPolarHBondContact O-CB 3.45Å; L383-A386 PolarHBondContact O-N 3.08Å; S384-A386 VanDerWaalsContact C-N 3.29Å; S384-A386 PolarHBondContact O-N 2.92Å; A386-I388 HydrophobicContact CB-CD1 4.28Å; A386-I388 HydrophobicContact CB-CG1 4.28Å; A386-I388 PolarHBondContact O-N 2.79Å
387G89.4Confident90.3Very high31 Ų3146.3 Ų46.332%0.3224%0.24SC..THydrogen-bonded Turntrans74.44.3-174.400000114.5Q354 L383 S384 R385 T392Q354-G387 PolarHBondContact NE2-O 3.21Å; L383-G387 PolarHBondContact O-N 3.26Å; S384-G387 WeakPolarHBondContact O-CA 3.19Å; S384-G387 PolarHBondContact O-N 3.18Å; R385-G387 PolarHBondContact O-N 3.08Å; G387-T392 PolarHBondContact O-OG1 3.31Å
388I92.3Very high90.2Very high1 Ų146.8 Ų46.81%0.00524%0.24CC..  trans-95.1112.6-177-55.3175.6000109.2Q354 L358 L383 S384 A386 I396 L428 F432Q354-I388 HydrophobicContact CB-CD1 4.27Å; Q354-I388 HydrophobicContact CB-CG1 4.08Å; L358-I388 HydrophobicContact CD2-CD1 4.14Å; L383-I388 CarbonylContact C-O 3.55Å; L383-I388 HydrophobicContact CB-CB 4.11Å; L383-I388 HydrophobicContact CB-CG2 4.34Å; L383-I388 WeakPolarHBondContact CB-O 3.47Å; L383-I388 HydrophobicContact CD2-CB 4.28Å; L383-I388 HydrophobicContact CD2-CD1 4.26Å; L383-I388 HydrophobicContact CD2-CG2 4.2Å; L383-I388 WeakPolarHBondContact O-CA 3.32Å; L383-I388 WeakPolarHBondContact O-CB 3.3Å; L383-I388 PolarHBondContact O-N 3.09Å; L383-I388 VanDerWaalsContact O-O 3.05Å; S384-I388 WeakPolarHBondContact CA-O 3.31Å; S384-I388 PolarHBondContact N-O 2.89Å; A386-I388 HydrophobicContact CB-CD1 4.28Å; A386-I388 HydrophobicContact CB-CG1 4.28Å; A386-I388 PolarHBondContact O-N 2.79Å; I388-I396 HydrophobicContact CB-CD1 4.34Å; I388-I396 HydrophobicContact CG1-CD1 3.93Å; I388-I396 HydrophobicContact CG2-CD1 3.95Å; I388-L428 HydrophobicContact CG2-CD1 4.19Å; I388-L428 HydrophobicContact CG2-CD2 3.82Å; I388-F432 HydrophobicContact CG2-CE2 3.92Å; I388-F432 HydrophobicContact CG2-CZ 4.29Å
389N90Very high90.1Very high51 Ų5144.7 Ų44.727%0.27323%0.231SC..  trans-141.8178.5-1796570.9000110.1W391 T392 N393N389-W391 PolarHBondContact O-N 2.85Å; N389-W391 WeakPolarHBondContact OD1-CB 3.22Å; N389-W391 VanDerWaalsContact OD1-CD1 3.3Å; N389-W391 PolarHBondContact OD1-N 3.02Å; N389-T392 PolarHBondContact N-OG1 2.91Å; N389-T392 PolarHBondContact ND2-OG1 2.92Å; N389-T392 PolarHBondContact O-N 3.31Å; N389-T392 PolarHBondContact O-OG1 3.39Å; N389-T392 PolarHBondContact OD1-N 2.93Å; N389-N393 WeakPolarHBondContact O-CB 3.28Å; N389-N393 PolarHBondContact O-N 3.48Å
390H83.3Confident89.9Confident45 Ų4544.6 Ų44.621%0.20823%0.231CC..Hα-helixtrans-54.1-38-177.3-175.4-83.3000113.5F432H390-F432 HydrophobicContact CB-CD1 4.13Å; H390-F432 HydrophobicContact CB-CE1 4.46Å
391W83.1Confident89.5Confident196 Ų19646.2 Ų46.274%0.74224%0.242SC*.Hα-helixtrans-77.4-47.4-178.7-45102.5000111.5N389 N393 N394N389-W391 PolarHBondContact O-N 2.85Å; N389-W391 WeakPolarHBondContact OD1-CB 3.22Å; N389-W391 VanDerWaalsContact OD1-CD1 3.3Å; N389-W391 PolarHBondContact OD1-N 3.02Å; W391-N393 VanDerWaalsContact C-N 3.29Å; W391-N393 PolarHBondContact O-N 3.49Å; W391-N394 PolarHBondContact O-N 3.27Å
392T88.5Confident89.2Confident41 Ų4145.6 Ų45.625%0.25224%0.237SC..Hα-helixtrans-70.9-24.5178.855.10000112.7G387 N389 N394 T395 I396G387-T392 PolarHBondContact O-OG1 3.31Å; N389-T392 PolarHBondContact N-OG1 2.91Å; N389-T392 PolarHBondContact ND2-OG1 2.92Å; N389-T392 PolarHBondContact O-N 3.31Å; N389-T392 PolarHBondContact O-OG1 3.39Å; N389-T392 PolarHBondContact OD1-N 2.93Å; T392-N394 VanDerWaalsContact C-N 3.3Å; T392-N394 PolarHBondContact O-N 2.94Å; T392-T395 PolarHBondContact O-N 2.99Å; T392-I396 WeakPolarHBondContact O-CB 3.44Å; T392-I396 WeakPolarHBondContact O-CD1 3.41Å; T392-I396 VanDerWaalsContact O-CG1 3.27Å; T392-I396 WeakPolarHBondContact O-CG1 3.27Å; T392-I396 PolarHBondContact O-N 2.86Å
393N88.6Confident88.9Confident11 Ų1145.5 Ų45.56%0.05924%0.236CC..Hα-helixtrans-54.6-43.8173.717270.7000111.9N389 W391 T395 I396 Q397 L428 F432N389-N393 WeakPolarHBondContact O-CB 3.28Å; N389-N393 PolarHBondContact O-N 3.48Å; W391-N393 VanDerWaalsContact C-N 3.29Å; W391-N393 PolarHBondContact O-N 3.49Å; N393-T395 PolarHBondContact O-N 3.21Å; N393-I396 CarbonylContact O-C 3.59Å; N393-I396 WeakPolarHBondContact O-CB 3.15Å; N393-I396 PolarHBondContact O-N 2.85Å; N393-I396 VanDerWaalsContact O-N 3.15Å; N393-Q397 VanDerWaalsContact O-CG 3.31Å; N393-Q397 WeakPolarHBondContact O-CG 3.15Å; N393-Q397 PolarHBondContact O-N 3.17Å; N393-Q397 PolarHBondContact OD1-NE2 2.71Å; N393-L428 WeakPolarHBondContact OD1-CB 3.45Å; N393-F432 HydrophobicContact CB-CD2 3.74Å; N393-F432 HydrophobicContact CB-CE2 4.11Å; N393-F432 HydrophobicContact CB-CG 4.21Å
394N86.4Confident88.3Confident86 Ų8646.7 Ų46.746%0.4624%0.242SC..Hα-helixtrans-61.4-44.8-179.1-72-1.3000111.4W391 T392 Q397 T398W391-N394 PolarHBondContact O-N 3.27Å; T392-N394 VanDerWaalsContact C-N 3.3Å; T392-N394 PolarHBondContact O-N 2.94Å; N394-Q397 PolarHBondContact O-N 3.03Å; N394-T398 PolarHBondContact O-N 2.9Å; N394-T398 VanDerWaalsContact O-N 3.12Å; N394-T398 PolarHBondContact O-OG1 3.46Å; N394-T398 VanDerWaalsContact O-OG1 3.12Å
395T88.2Confident87.6Confident81 Ų8146.7 Ų46.750%0.49724%0.242SC..Hα-helixtrans-61.8-43.5173.2-47.20000111.9T392 N393 Q397 T398 V399T392-T395 PolarHBondContact O-N 2.99Å; N393-T395 PolarHBondContact O-N 3.21Å; T395-Q397 PolarHBondContact O-N 3.39Å; T395-T398 PolarHBondContact O-N 3.45Å; T395-V399 HydrophobicContact CG2-CG2 4.44Å; T395-V399 VanDerWaalsContact O-CG2 3.26Å; T395-V399 WeakPolarHBondContact O-CG2 3.28Å; T395-V399 PolarHBondContact O-N 3.2Å
396I91.8Very high87.1Confident4 Ų441 Ų412%0.02122%0.221CC..Hα-helixtrans-59.8-44.9177-71.7162.1000111.1L351 I388 T392 N393 T398 V399 I400 L428L351-I396 HydrophobicContact CD1-CG1 4.28Å; L351-I396 HydrophobicContact CD1-CG2 3.85Å; I388-I396 HydrophobicContact CB-CD1 4.34Å; I388-I396 HydrophobicContact CG1-CD1 3.93Å; I388-I396 HydrophobicContact CG2-CD1 3.95Å; T392-I396 WeakPolarHBondContact O-CB 3.44Å; T392-I396 WeakPolarHBondContact O-CD1 3.41Å; T392-I396 VanDerWaalsContact O-CG1 3.27Å; T392-I396 WeakPolarHBondContact O-CG1 3.27Å; T392-I396 PolarHBondContact O-N 2.86Å; N393-I396 CarbonylContact O-C 3.59Å; N393-I396 WeakPolarHBondContact O-CB 3.15Å; N393-I396 PolarHBondContact O-N 2.85Å; N393-I396 VanDerWaalsContact O-N 3.15Å; I396-T398 PolarHBondContact O-N 2.8Å; I396-V399 PolarHBondContact O-N 2.73Å; I396-I400 HydrophobicContact CG2-CD1 3.65Å; I396-I400 HydrophobicContact CG2-CG1 4.31Å; I396-I400 VanDerWaalsContact O-CG1 3.23Å; I396-I400 WeakPolarHBondContact O-CG1 3.15Å; I396-I400 PolarHBondContact O-N 3.23Å; I396-L428 HydrophobicContact CG2-CD1 3.84Å
397Q89.7Confident86.3Confident16 Ų1640.9 Ų40.98%0.07522%0.22CC..Hα-helixtrans-61.5-45.9177.5-63.2-53.1-32.900111.1N393 N394 T395 V399 I400 D401 S425 K429N393-Q397 VanDerWaalsContact O-CG 3.31Å; N393-Q397 WeakPolarHBondContact O-CG 3.15Å; N393-Q397 PolarHBondContact O-N 3.17Å; N393-Q397 PolarHBondContact OD1-NE2 2.71Å; N394-Q397 PolarHBondContact O-N 3.03Å; T395-Q397 PolarHBondContact O-N 3.39Å; Q397-V399 PolarHBondContact O-N 2.55Å; Q397-I400 PolarHBondContact O-N 3.14Å; Q397-D401 WeakPolarHBondContact O-CB 3.38Å; Q397-D401 PolarHBondContact O-N 3.18Å; Q397-S425 PolarHBondContact NE2-O 3.16Å; Q397-S425 PolarHBondContact OE1-OG 3.31Å; Q397-K429 HydrophobicContact CG-CG 4.44Å
398T89.4Confident85.3Confident75 Ų7540.9 Ų40.946%0.4621%0.212SC..Hα-helixtrans-58.4-46.7176.2-54.10000111.6N394 T395 I396 I400 D401 E402N394-T398 PolarHBondContact O-N 2.9Å; N394-T398 VanDerWaalsContact O-N 3.12Å; N394-T398 PolarHBondContact O-OG1 3.46Å; N394-T398 VanDerWaalsContact O-OG1 3.12Å; T395-T398 PolarHBondContact O-N 3.45Å; I396-T398 PolarHBondContact O-N 2.8Å; T398-I400 PolarHBondContact O-N 2.82Å; T398-D401 PolarHBondContact O-N 3.32Å; T398-E402 HydrophobicContact CG2-CG 4.4Å; T398-E402 WeakPolarHBondContact O-CB 3.36Å; T398-E402 VanDerWaalsContact O-CG 3.27Å; T398-E402 WeakPolarHBondContact O-CG 3.36Å; T398-E402 PolarHBondContact O-N 3.23Å
399V90.7Very high84Confident4 Ų441.9 Ų41.92%0.02422%0.219CC..Hα-helixtrans-66.2-36.5179.6176.30000111.9K347 M348 L351 T395 I396 Q397 I403K347-V399 HydrophobicContact CB-CG1 4.31Å; K347-V399 HydrophobicContact CB-CG2 3.69Å; K347-V399 HydrophobicContact CD-CG2 3.68Å; K347-V399 HydrophobicContact CG-CG2 4.21Å; M348-V399 HydrophobicContact CG-CG1 4.32Å; L351-V399 HydrophobicContact CB-CG1 4.38Å; L351-V399 HydrophobicContact CD2-CG1 3.83Å; T395-V399 HydrophobicContact CG2-CG2 4.44Å; T395-V399 VanDerWaalsContact O-CG2 3.26Å; T395-V399 WeakPolarHBondContact O-CG2 3.28Å; T395-V399 PolarHBondContact O-N 3.2Å; I396-V399 PolarHBondContact O-N 2.73Å; Q397-V399 PolarHBondContact O-N 2.55Å; V399-I403 HydrophobicContact CG1-CD1 3.9Å; V399-I403 HydrophobicContact CG1-CG1 4.46Å; V399-I403 WeakPolarHBondContact O-CB 3.33Å; V399-I403 WeakPolarHBondContact O-CD1 3.28Å; V399-I403 WeakPolarHBondContact O-CG1 3.37Å; V399-I403 PolarHBondContact O-N 2.96Å
400I90Very high83Confident0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-68.5-41.2174.6-64.4172.1000110.8L351 I396 Q397 T398 I403 M404 L421 V424L351-I400 HydrophobicContact CD1-CD1 4.49Å; L351-I400 HydrophobicContact CD1-CG1 4.48Å; L351-I400 HydrophobicContact CD2-CG1 3.73Å; I396-I400 HydrophobicContact CG2-CD1 3.65Å; I396-I400 HydrophobicContact CG2-CG1 4.31Å; I396-I400 VanDerWaalsContact O-CG1 3.23Å; I396-I400 WeakPolarHBondContact O-CG1 3.15Å; I396-I400 PolarHBondContact O-N 3.23Å; Q397-I400 PolarHBondContact O-N 3.14Å; T398-I400 PolarHBondContact O-N 2.82Å; I400-I403 PolarHBondContact O-N 3.45Å; I400-M404 HydrophobicContact CG2-CE 4Å; I400-M404 HydrophobicContact CG2-CG 4.28Å; I400-M404 HydrophobicContact CG2-SD 4.3Å; I400-M404 WeakPolarHBondContact O-CB 3.11Å; I400-M404 VanDerWaalsContact O-CG 3.28Å; I400-M404 WeakPolarHBondContact O-CG 3.28Å; I400-M404 PolarHBondContact O-N 3.38Å; I400-L421 HydrophobicContact CD1-CD2 4.34Å; I400-L421 HydrophobicContact CG1-CD2 4.06Å; I400-L421 HydrophobicContact CG2-CB 4.08Å; I400-L421 HydrophobicContact CG2-CD2 4.45Å; I400-V424 HydrophobicContact CD1-CG1 4.37Å
401D84Confident81.9Confident78 Ų7844.2 Ų44.242%0.41723%0.229SC..Hα-helixtrans-68.4-35.7176.2-75.9-32.9000111.9Q397 T398 M404 S405Q397-D401 WeakPolarHBondContact O-CB 3.38Å; Q397-D401 PolarHBondContact O-N 3.18Å; T398-D401 PolarHBondContact O-N 3.32Å; D401-M404 WeakPolarHBondContact OD1-CE 3.18Å; D401-S405 VanDerWaalsContact O-CB 3.26Å; D401-S405 WeakPolarHBondContact O-CB 3.48Å; D401-S405 PolarHBondContact O-N 3.44Å
402E85.7Confident81Confident45 Ų4537.5 Ų37.521%0.2121%0.207CC..Hα-helixtrans-58.3-55.5168.5-75.8168.4-174.900110.7L343 K347 T398 M404 S405 F406L343-E402 HydrophobicContact CD2-CB 3.94Å; K347-E402 IonicContact NZ-OE1 2.71Å; T398-E402 HydrophobicContact CG2-CG 4.4Å; T398-E402 WeakPolarHBondContact O-CB 3.36Å; T398-E402 VanDerWaalsContact O-CG 3.27Å; T398-E402 WeakPolarHBondContact O-CG 3.36Å; T398-E402 PolarHBondContact O-N 3.23Å; E402-M404 PolarHBondContact O-N 3.04Å; E402-S405 WeakPolarHBondContact O-CB 3.3Å; E402-S405 PolarHBondContact O-N 3.24Å; E402-S405 VanDerWaalsContact O-N 3.11Å; E402-F406 PolarHBondContact O-N 3.36Å
403I86.8Confident79.6Confident0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-60-43.6179.1-70.3166.5000111.7V286 V289 L343 M348 L351 V399 I400 S405 T407 L421V286-I403 HydrophobicContact CG1-CD1 4.48Å; V286-I403 HydrophobicContact CG2-CD1 4.24Å; V289-I403 HydrophobicContact CB-CG2 4.43Å; V289-I403 HydrophobicContact CG1-CG1 4.45Å; V289-I403 HydrophobicContact CG1-CG2 4.24Å; V289-I403 HydrophobicContact CG2-CG2 3.88Å; L343-I403 HydrophobicContact CD2-CG1 4.39Å; M348-I403 HydrophobicContact CG-CD1 3.93Å; M348-I403 HydrophobicContact CG-CG1 4.06Å; M348-I403 HydrophobicContact SD-CD1 4.1Å; M348-I403 HydrophobicContact SD-CG1 3.74Å; L351-I403 HydrophobicContact CD2-CD1 3.89Å; V399-I403 HydrophobicContact CG1-CD1 3.9Å; V399-I403 HydrophobicContact CG1-CG1 4.46Å; V399-I403 WeakPolarHBondContact O-CB 3.33Å; V399-I403 WeakPolarHBondContact O-CD1 3.28Å; V399-I403 WeakPolarHBondContact O-CG1 3.37Å; V399-I403 PolarHBondContact O-N 2.96Å; I400-I403 PolarHBondContact O-N 3.45Å; I403-S405 VanDerWaalsContact C-N 3.32Å; I403-T407 WeakPolarHBondContact O-CB 3.46Å; I403-T407 PolarHBondContact O-N 3.26Å; I403-T407 PolarHBondContact O-OG1 3.28Å; I403-L421 HydrophobicContact CB-CD1 4.22Å; I403-L421 HydrophobicContact CD1-CD1 4.32Å; I403-L421 HydrophobicContact CG2-CD1 3.51Å
404M81.5Confident78.2Confident24 Ų2448.9 Ų48.912%0.11826%0.262CS..Hα-helixtrans-66.6-35.6176.6-75-167-55.400111.4I400 D401 E402 N408 H422I400-M404 HydrophobicContact CG2-CE 4Å; I400-M404 HydrophobicContact CG2-CG 4.28Å; I400-M404 HydrophobicContact CG2-SD 4.3Å; I400-M404 WeakPolarHBondContact O-CB 3.11Å; I400-M404 VanDerWaalsContact O-CG 3.28Å; I400-M404 WeakPolarHBondContact O-CG 3.28Å; I400-M404 PolarHBondContact O-N 3.38Å; D401-M404 WeakPolarHBondContact OD1-CE 3.18Å; E402-M404 PolarHBondContact O-N 3.04Å; M404-N408 PolarHBondContact O-N 3.13Å; M404-N408 PolarHBondContact O-ND2 2.7Å; M404-H422 HydrophobicContact SD-CB 4.31Å
405S76.7Confident77.2Confident64 Ų6444.9 Ų44.945%0.44824%0.241SC..Hα-helixtrans-62.6-52.2175.6-166.80000110.8Y165 D401 E402 I403 S409Y165-S405 VanDerWaalsContact CE2-O 3.3Å; Y165-S405 WeakPolarHBondContact CE2-O 3.42Å; Y165-S405 VanDerWaalsContact CZ-O 3.24Å; Y165-S405 PolarHBondContact OH-O 3.25Å; D401-S405 VanDerWaalsContact O-CB 3.26Å; D401-S405 WeakPolarHBondContact O-CB 3.48Å; D401-S405 PolarHBondContact O-N 3.44Å; E402-S405 WeakPolarHBondContact O-CB 3.3Å; E402-S405 PolarHBondContact O-N 3.24Å; E402-S405 VanDerWaalsContact O-N 3.11Å; I403-S405 VanDerWaalsContact C-N 3.32Å; S405-S409 PolarHBondContact O-N 3.28Å; S405-S409 PolarHBondContact O-OG 2.84Å; S405-S409 VanDerWaalsContact O-OG 3.04Å
406F79.8Confident75.9Confident5 Ų546.4 Ų46.42%0.02224%0.237CC..Hα-helixtrans-61.8-53.6177.7166.8-110.7000112.9V289 V292 V293 A339 I340 L343 E402 N408 S409 T410 I415V289-F406 HydrophobicContact CG1-CD1 3.98Å; V289-F406 HydrophobicContact CG1-CE1 4.11Å; V292-F406 HydrophobicContact CG1-CZ 4.24Å; V293-F406 HydrophobicContact CG2-CE1 4.06Å; V293-F406 HydrophobicContact CG2-CZ 4.29Å; A339-F406 HydrophobicContact CB-CD2 4.15Å; I340-F406 HydrophobicContact CD1-CE2 3.83Å; I340-F406 HydrophobicContact CD1-CZ 4.22Å; I340-F406 HydrophobicContact CG1-CD2 3.96Å; I340-F406 HydrophobicContact CG1-CE2 3.29Å; I340-F406 HydrophobicContact CG1-CZ 3.9Å; L343-F406 HydrophobicContact CD1-CB 3.66Å; L343-F406 HydrophobicContact CD1-CD1 3.44Å; L343-F406 VanDerWaalsContact CD1-CD1 3.44Å; L343-F406 HydrophobicContact CD1-CD2 4.14Å; L343-F406 HydrophobicContact CD1-CE1 4.08Å; L343-F406 HydrophobicContact CD1-CG 3.46Å; L343-F406 VanDerWaalsContact CD1-CG 3.46Å; L343-F406 HydrophobicContact CD2-CB 4.43Å; L343-F406 HydrophobicContact CG-CB 4.29Å; E402-F406 PolarHBondContact O-N 3.36Å; F406-N408 PolarHBondContact O-N 3.3Å; F406-N408 VanDerWaalsContact O-N 3.12Å; F406-S409 WeakPolarHBondContact CA-OG 3.43Å; F406-S409 PolarHBondContact O-N 2.97Å; F406-S409 PolarHBondContact O-OG 3.49Å; F406-T410 HydrophobicContact CD1-CG2 4.45Å; F406-T410 HydrophobicContact CD2-CG2 3.89Å; F406-T410 HydrophobicContact CE1-CG2 3.98Å; F406-T410 HydrophobicContact CE2-CG2 3.3Å; F406-T410 HydrophobicContact CG-CG2 4.43Å; F406-T410 HydrophobicContact CZ-CG2 3.38Å; F406-T410 PolarHBondContact O-N 3.17Å; F406-I415 HydrophobicContact CE1-CD1 4.32Å
407T76.7Confident74.6Confident0 Ų052.3 Ų52.30%026%0.263CS..Hα-helixtrans-49.8-46.9-174.4-68.50000111.4H285 I403 T410 I415 T418H285-T407 PolarHBondContact CE1-OG1 3.5Å; H285-T407 VanDerWaalsContact CE1-OG1 3.31Å; H285-T407 WeakPolarHBondContact NE2-CB 3.15Å; H285-T407 WeakPolarHBondContact NE2-CG2 3.43Å; H285-T407 PolarHBondContact NE2-OG1 3.04Å; I403-T407 WeakPolarHBondContact O-CB 3.46Å; I403-T407 PolarHBondContact O-N 3.26Å; I403-T407 PolarHBondContact O-OG1 3.28Å; T407-T410 PolarHBondContact O-N 2.97Å; T407-T410 PolarHBondContact O-OG1 2.84Å; T407-I415 HydrophobicContact CG2-CB 4.07Å; T407-I415 HydrophobicContact CG2-CG2 3.7Å; T407-I415 WeakPolarHBondContact CG2-O 3.43Å; T407-T418 HydrophobicContact CG2-CG2 3.53Å
408N67.8Low73.7Confident31 Ų3151.6 Ų51.617%0.16626%0.26CS..Hα-helixtrans-81.2-19.4-174.9-62.1-67.6000113.2Y165 M404 F406 T410Y165-N408 HydrophobicContact CD1-CB 3.11Å; Y165-N408 HydrophobicContact CD2-CB 3.69Å; Y165-N408 HydrophobicContact CE1-CB 3.39Å; Y165-N408 WeakPolarHBondContact CE1-O 3.49Å; Y165-N408 HydrophobicContact CE2-CB 3.95Å; Y165-N408 HydrophobicContact CG-CB 3.26Å; M404-N408 PolarHBondContact O-N 3.13Å; M404-N408 PolarHBondContact O-ND2 2.7Å; F406-N408 PolarHBondContact O-N 3.3Å; F406-N408 VanDerWaalsContact O-N 3.12Å; N408-T410 VanDerWaalsContact C-N 3.32Å
409S66.3Low73.1Confident22 Ų2251.7 Ų51.715%0.15425%0.254CS..Hα-helixtrans-69.7-30.7167.726.60000111.9Y165 S405 F406Y165-S409 VanDerWaalsContact CE1-N 3.35Å; Y165-S409 WeakPolarHBondContact OH-CA 3.26Å; Y165-S409 WeakPolarHBondContact OH-CB 3.4Å; Y165-S409 PolarHBondContact OH-N 3.14Å; Y165-S409 PolarHBondContact OH-OG 3.08Å; S405-S409 PolarHBondContact O-N 3.28Å; S405-S409 PolarHBondContact O-OG 2.84Å; S405-S409 VanDerWaalsContact O-OG 3.04Å; F406-S409 WeakPolarHBondContact CA-OG 3.43Å; F406-S409 PolarHBondContact O-N 2.97Å; F406-S409 PolarHBondContact O-OG 3.49Å
410T67.9Low72.9Confident4 Ų451.5 Ų51.53%0.02525%0.253CS..  trans-67.7144.5-174.969.10000114.1E336 F406 T407 N408 N412 I415 R416E336-T410 WeakPolarHBondContact OE1-CA 2.81Å; F406-T410 HydrophobicContact CD1-CG2 4.45Å; F406-T410 HydrophobicContact CD2-CG2 3.89Å; F406-T410 HydrophobicContact CE1-CG2 3.98Å; F406-T410 HydrophobicContact CE2-CG2 3.3Å; F406-T410 HydrophobicContact CG-CG2 4.43Å; F406-T410 HydrophobicContact CZ-CG2 3.38Å; F406-T410 PolarHBondContact O-N 3.17Å; T407-T410 PolarHBondContact O-N 2.97Å; T407-T410 PolarHBondContact O-OG1 2.84Å; N408-T410 VanDerWaalsContact C-N 3.32Å; T410-N412 PolarHBondContact O-N 2.79Å; T410-I415 HydrophobicContact CG2-CD1 4.35Å; T410-R416 PolarHBondContact O-NE 3.06Å; T410-R416 PolarHBondContact O-NH2 3.29Å
411H60.4Low72.9Confident142 Ų14251.5 Ų51.566%0.65725%0.253SS*.  trans-74.7-13.3165.7-74.8-98000112.5E336 V413E336-H411 IonicContact OE1-CD2 2.61Å; E336-H411 PolarHBondContact OE1-N 3.5Å; H411-V413 PolarHBondContact O-N 2.89Å; H411-V413 VanDerWaalsContact O-N 3.11Å
412N64.3Low72.9Confident54 Ų5450.4 Ų50.429%0.28925%0.245SC..  trans-67.1105.9-177.7-170.5-17.3000112.9T410 K414 I415T410-N412 PolarHBondContact O-N 2.79Å; N412-K414 PolarHBondContact O-N 2.87Å; N412-K414 WeakPolarHBondContact OD1-CB 3.41Å; N412-K414 PolarHBondContact OD1-N 3.26Å; N412-K414 VanDerWaalsContact OD1-N 3.1Å; N412-I415 HydrophobicContact CB-CD1 3.88Å; N412-I415 HydrophobicContact CB-CG1 3.99Å; N412-I415 PolarHBondContact O-N 3.31Å
413V58.9Low73.1Confident114 Ų11451 Ų5169%0.69125%0.248SC*.G310 helixtrans-61.1-27-177-179.30000113H411 I415H411-V413 PolarHBondContact O-N 2.89Å; H411-V413 VanDerWaalsContact O-N 3.11Å; V413-I415 VanDerWaalsContact C-N 3.26Å; V413-I415 PolarHBondContact O-N 3.04Å
414K59.7Low73.4Confident177 Ų17751.1 Ų51.177%0.7725%0.248SC*.G310 helixtrans-59.7-35.8-179.7-65.8-177.4178.11790112.5N412N412-K414 PolarHBondContact O-N 2.87Å; N412-K414 WeakPolarHBondContact OD1-CB 3.41Å; N412-K414 PolarHBondContact OD1-N 3.26Å; N412-K414 VanDerWaalsContact OD1-N 3.1Å
415I66Low73.8Confident2 Ų250.1 Ų50.11%0.0124%0.243CC..G310 helixtrans-87.8-18.3-165.6-33.1-179.3000112.9H285 V289 V292 F406 T407 T410 N412 V413 K417H285-I415 PolarHBondContact CD2-O 2.96Å; H285-I415 WeakPolarHBondContact NE2-CG2 3.47Å; H285-I415 PolarHBondContact NE2-O 3.16Å; V289-I415 HydrophobicContact CG2-CG2 3.43Å; V289-I415 VanDerWaalsContact CG2-CG2 3.43Å; V292-I415 HydrophobicContact CB-CD1 4.14Å; V292-I415 HydrophobicContact CG1-CD1 4.01Å; V292-I415 HydrophobicContact CG2-CD1 3.9Å; V292-I415 HydrophobicContact CG2-CG1 4.42Å; F406-I415 HydrophobicContact CE1-CD1 4.32Å; T407-I415 HydrophobicContact CG2-CB 4.07Å; T407-I415 HydrophobicContact CG2-CG2 3.7Å; T407-I415 WeakPolarHBondContact CG2-O 3.43Å; T410-I415 HydrophobicContact CG2-CD1 4.35Å; N412-I415 HydrophobicContact CB-CD1 3.88Å; N412-I415 HydrophobicContact CB-CG1 3.99Å; N412-I415 PolarHBondContact O-N 3.31Å; V413-I415 VanDerWaalsContact C-N 3.26Å; V413-I415 PolarHBondContact O-N 3.04Å; I415-K417 PolarHBondContact O-N 3.1Å
416R60.3Low74.3Confident114 Ų11448.3 Ų48.343%0.4323%0.228SC..  trans-65.42.6-162.8-67.7-176.1171.1-176-6.1117.5T410 T418T410-R416 PolarHBondContact O-NE 3.06Å; T410-R416 PolarHBondContact O-NH2 3.29Å; R416-T418 PolarHBondContact O-N 3.16Å
417K64.6Low74.9Confident128 Ų12848.3 Ų48.356%0.55723%0.228SC*.  trans-90.458.5-176.8-68.5-179.4-179169.20113I415 K419I415-K417 PolarHBondContact O-N 3.1Å; K417-K419 PolarHBondContact O-N 3.13Å
418T71.2Confident75.7Confident1 Ų148.4 Ų48.41%0.00623%0.228CC..THydrogen-bonded Turntrans-63.7-1.1-176.557.40000116.6H285 T407 R416 G420 H422H285-T418 WeakPolarHBondContact CE1-CG2 3.38Å; T407-T418 HydrophobicContact CG2-CG2 3.53Å; R416-T418 PolarHBondContact O-N 3.16Å; T418-G420 PolarHBondContact O-N 3.31Å; T418-H422 PolarHBondContact O-N 3.49Å; T418-H422 VanDerWaalsContact O-N 3.16Å
419K76.8Confident76.6Confident77 Ų7750.2 Ų50.234%0.33524%0.235SC..Hα-helixtrans-62.2-44.9-170.3-169.8-176.8175.5-173.90112.6L278 K417 H422 E423 Y477L278-K419 HydrophobicContact CD2-CD 4Å; L278-K419 HydrophobicContact CD2-CG 4.2Å; K417-K419 PolarHBondContact O-N 3.13Å; K419-H422 PolarHBondContact O-N 3.45Å; K419-E423 WeakPolarHBondContact CE-OE1 3.35Å; K419-E423 HydrophobicContact CG-CG 4.02Å; K419-E423 IonicContact NZ-OE1 3.63Å; K419-E423 WeakPolarHBondContact O-CG 3.39Å; K419-E423 PolarHBondContact O-N 3.29Å; K419-Y477 PolarHBondContact NZ-OH 2.85Å
420G86.2Confident77.6Confident0 Ų049.6 Ų49.60%023%0.23CC..Hα-helixtrans-57.3-54.2-178.300000112.5L278 A282 T418 H422 E423 V424L278-G420 WeakPolarHBondContact O-CA 3.32Å; A282-G420 VanDerWaalsContact CB-C 3.47Å; T418-G420 PolarHBondContact O-N 3.31Å; G420-H422 VanDerWaalsContact C-N 3.3Å; G420-H422 PolarHBondContact O-N 3.33Å; G420-E423 PolarHBondContact O-N 3.23Å; G420-V424 WeakPolarHBondContact O-CG2 3.13Å; G420-V424 PolarHBondContact O-N 3.16Å
421L89Confident78.7Confident0 Ų049.6 Ų49.60%023%0.23CC..Hα-helixtrans-59.6-37.8177.8-84.8-175000113.3A282 H285 V286 L351 L355 I400 I403 V424 S425A282-L421 HydrophobicContact CB-CD2 4.12Å; A282-L421 HydrophobicContact CB-CG 4.32Å; H285-L421 WeakPolarHBondContact ND1-CD1 3.36Å; V286-L421 HydrophobicContact CG2-CD1 3.91Å; V286-L421 HydrophobicContact CG2-CD2 3.75Å; V286-L421 HydrophobicContact CG2-CG 4.15Å; L351-L421 HydrophobicContact CD2-CD2 4.37Å; L355-L421 HydrophobicContact CD1-CD2 4.21Å; I400-L421 HydrophobicContact CD1-CD2 4.34Å; I400-L421 HydrophobicContact CG1-CD2 4.06Å; I400-L421 HydrophobicContact CG2-CB 4.08Å; I400-L421 HydrophobicContact CG2-CD2 4.45Å; I403-L421 HydrophobicContact CB-CD1 4.22Å; I403-L421 HydrophobicContact CD1-CD1 4.32Å; I403-L421 HydrophobicContact CG2-CD1 3.51Å; L421-V424 PolarHBondContact O-N 3.19Å; L421-S425 WeakPolarHBondContact O-CB 3.35Å; L421-S425 PolarHBondContact O-N 3.31Å
422H85.2Confident80Confident54 Ų5443.1 Ų43.125%0.2520%0.2CC..Hα-helixtrans-63.3-48.5176.2-174.2-78.1000111.9S161 M404 T418 K419 G420 V424 S425 E426S161-H422 PolarHBondContact OG-CD2 3.34Å; S161-H422 PolarHBondContact OG-NE2 3.46Å; M404-H422 HydrophobicContact SD-CB 4.31Å; T418-H422 PolarHBondContact O-N 3.49Å; T418-H422 VanDerWaalsContact O-N 3.16Å; K419-H422 PolarHBondContact O-N 3.45Å; G420-H422 VanDerWaalsContact C-N 3.3Å; G420-H422 PolarHBondContact O-N 3.33Å; H422-V424 VanDerWaalsContact C-N 3.3Å; H422-V424 PolarHBondContact O-N 3.36Å; H422-S425 WeakPolarHBondContact O-CB 3.21Å; H422-S425 PolarHBondContact O-N 2.79Å; H422-E426 WeakPolarHBondContact O-CB 3.48Å; H422-E426 VanDerWaalsContact O-CG 3.3Å; H422-E426 WeakPolarHBondContact O-CG 3.32Å; H422-E426 PolarHBondContact O-N 2.71Å
423E88.4Confident80.3Confident59 Ų5943.4 Ų43.428%0.27622%0.215SC..Hα-helixtrans-67.2-32.2-179.1-55.4-85.2-156.100111.3L278 K419 G420 F427L278-E423 HydrophobicContact CD1-CB 4.13Å; L278-E423 HydrophobicContact CD1-CG 3.98Å; L278-E423 HydrophobicContact CD2-CG 4.27Å; K419-E423 WeakPolarHBondContact CE-OE1 3.35Å; K419-E423 HydrophobicContact CG-CG 4.02Å; K419-E423 IonicContact NZ-OE1 3.63Å; K419-E423 WeakPolarHBondContact O-CG 3.39Å; K419-E423 PolarHBondContact O-N 3.29Å; G420-E423 PolarHBondContact O-N 3.23Å; E423-F427 WeakPolarHBondContact O-CB 3.3Å; E423-F427 PolarHBondContact O-N 3.01Å
424V93.5Very high80.3Confident2 Ų240.6 Ų40.61%0.01219%0.193CC..Hα-helixtrans-66.4-48.5170.1168.40000111.7L274 L279 A282 L355 I400 G420 L421 H422 E426 F427 L428L274-V424 HydrophobicContact CD1-CG2 3.87Å; L274-V424 HydrophobicContact CD2-CG2 4.27Å; L279-V424 HydrophobicContact CD1-CG2 4.04Å; A282-V424 HydrophobicContact CB-CG2 3.82Å; L355-V424 HydrophobicContact CD2-CG1 3.73Å; I400-V424 HydrophobicContact CD1-CG1 4.37Å; G420-V424 WeakPolarHBondContact O-CG2 3.13Å; G420-V424 PolarHBondContact O-N 3.16Å; L421-V424 PolarHBondContact O-N 3.19Å; H422-V424 VanDerWaalsContact C-N 3.3Å; H422-V424 PolarHBondContact O-N 3.36Å; V424-E426 VanDerWaalsContact C-N 3.27Å; V424-E426 PolarHBondContact O-N 2.75Å; V424-F427 PolarHBondContact O-N 3.45Å; V424-L428 HydrophobicContact CG1-CD1 4.12Å; V424-L428 WeakPolarHBondContact O-CG 3.22Å; V424-L428 PolarHBondContact O-N 3.03Å
425S90.6Very high79.6Confident2 Ų235.2 Ų35.21%0.01417%0.172CC..Hα-helixtrans-54.9-45.5175.9174.10000111.1Q397 L421 H422 L428 K429Q397-S425 PolarHBondContact NE2-O 3.16Å; Q397-S425 PolarHBondContact OE1-OG 3.31Å; L421-S425 WeakPolarHBondContact O-CB 3.35Å; L421-S425 PolarHBondContact O-N 3.31Å; H422-S425 WeakPolarHBondContact O-CB 3.21Å; H422-S425 PolarHBondContact O-N 2.79Å; S425-L428 PolarHBondContact O-N 3Å; S425-K429 VanDerWaalsContact O-CB 3.3Å; S425-K429 WeakPolarHBondContact O-CB 3.42Å; S425-K429 VanDerWaalsContact O-CG 3.31Å; S425-K429 WeakPolarHBondContact O-CG 3.34Å; S425-K429 PolarHBondContact O-N 3.2Å; S425-K429 WeakPolarHBondContact OG-CE 3.39Å; S425-K429 PolarHBondContact OG-NZ 3.44Å
426E86.3Confident78.1Confident27 Ų2739 Ų3913%0.12620%0.197CC..Hα-helixtrans-67.7-37.7178.6-73.5-56.7144.900113.9R240 H422 V424 T430R240-E426 WeakPolarHBondContact CD-OE2 3.2Å; R240-E426 IonicContact CZ-OE2 2.68Å; R240-E426 IonicContact NE-OE2 3.26Å; R240-E426 IonicContact NH1-OE2 3.14Å; R240-E426 PolarHBondContact NH1-OE2 2.84Å; H422-E426 WeakPolarHBondContact O-CB 3.48Å; H422-E426 VanDerWaalsContact O-CG 3.3Å; H422-E426 WeakPolarHBondContact O-CG 3.32Å; H422-E426 PolarHBondContact O-N 2.71Å; V424-E426 VanDerWaalsContact C-N 3.27Å; V424-E426 PolarHBondContact O-N 2.75Å; E426-T430 WeakPolarHBondContact O-CB 3.29Å; E426-T430 PolarHBondContact O-N 2.97Å; E426-T430 PolarHBondContact O-OG1 2.91Å
427F93.3Very high76.7Confident4 Ų435.5 Ų35.52%0.01820%0.197CC..Hα-helixtrans-60-50.5171.8-173.2-92.8000111.2V272 L274 I379 E423 V424 T430 V431 I497V272-F427 HydrophobicContact CB-CD2 4.41Å; V272-F427 HydrophobicContact CG1-CD2 3.56Å; V272-F427 HydrophobicContact CG1-CE2 3.98Å; V272-F427 HydrophobicContact CG1-CG 4.23Å; V272-F427 HydrophobicContact CG2-CB 4.23Å; V272-F427 HydrophobicContact CG2-CD2 4.12Å; L274-F427 HydrophobicContact CB-CB 4.37Å; L274-F427 HydrophobicContact CB-CD2 3.56Å; L274-F427 HydrophobicContact CB-CE2 3.95Å; L274-F427 HydrophobicContact CB-CG 3.96Å; L274-F427 HydrophobicContact CD2-CD1 4.35Å; L274-F427 HydrophobicContact CD2-CG 4.28Å; I379-F427 HydrophobicContact CD1-CE1 4Å; I379-F427 HydrophobicContact CD1-CZ 3.85Å; I379-F427 HydrophobicContact CG1-CE1 4.25Å; I379-F427 HydrophobicContact CG1-CZ 4.22Å; E423-F427 WeakPolarHBondContact O-CB 3.3Å; E423-F427 PolarHBondContact O-N 3.01Å; V424-F427 PolarHBondContact O-N 3.45Å; F427-T430 PolarHBondContact O-N 2.97Å; F427-V431 HydrophobicContact CD1-CG2 4.24Å; F427-V431 HydrophobicContact CE1-CG2 3.95Å; F427-V431 HydrophobicContact CZ-CG2 4.22Å; F427-V431 WeakPolarHBondContact O-CG2 3.5Å; F427-V431 PolarHBondContact O-N 2.88Å; F427-I497 HydrophobicContact CE2-CG2 4.26Å; F427-I497 HydrophobicContact CZ-CG2 4.05Å
428L93Very high74.9Confident2 Ų237.9 Ų37.91%0.0121%0.21CC..Hα-helixtrans-68.7-40.4-179.1-61.1178.7000112.4L383 I388 N393 I396 V424 S425 T430 V431 F432L383-L428 HydrophobicContact CD1-CD2 3.96Å; L383-L428 HydrophobicContact CD2-CD2 3.78Å; I388-L428 HydrophobicContact CG2-CD1 4.19Å; I388-L428 HydrophobicContact CG2-CD2 3.82Å; N393-L428 WeakPolarHBondContact OD1-CB 3.45Å; I396-L428 HydrophobicContact CG2-CD1 3.84Å; V424-L428 HydrophobicContact CG1-CD1 4.12Å; V424-L428 WeakPolarHBondContact O-CG 3.22Å; V424-L428 PolarHBondContact O-N 3.03Å; S425-L428 PolarHBondContact O-N 3Å; L428-T430 VanDerWaalsContact C-N 3.28Å; L428-T430 PolarHBondContact O-N 2.9Å; L428-V431 PolarHBondContact O-N 3.23Å; L428-F432 HydrophobicContact CB-CD2 4.42Å; L428-F432 HydrophobicContact CD2-CE2 4.14Å; L428-F432 WeakPolarHBondContact O-CD2 3.35Å; L428-F432 PolarHBondContact O-N 3.36Å
429K87.5Confident72.8Confident69 Ų6941.4 Ų41.430%0.324%0.239SC..Hα-helixtrans-56-41.6171.5-82.3162.6174.6154.70111.6Q397 S425 G433Q397-K429 HydrophobicContact CG-CG 4.44Å; S425-K429 VanDerWaalsContact O-CB 3.3Å; S425-K429 WeakPolarHBondContact O-CB 3.42Å; S425-K429 VanDerWaalsContact O-CG 3.31Å; S425-K429 WeakPolarHBondContact O-CG 3.34Å; S425-K429 PolarHBondContact O-N 3.2Å; S425-K429 WeakPolarHBondContact OG-CE 3.39Å; S425-K429 PolarHBondContact OG-NZ 3.44Å; K429-G433 VanDerWaalsContact O-CA 3.3Å; K429-G433 WeakPolarHBondContact O-CA 3.4Å; K429-G433 PolarHBondContact O-N 2.9Å
430T86.8Confident70.3Confident10 Ų1046 Ų466%0.06127%0.267CS..Hα-helixtrans-75.1-35.5179.2-50.20000112.7V272 E426 F427 L428 Y434V272-T430 HydrophobicContact CB-CG2 3.91Å; V272-T430 HydrophobicContact CG1-CG2 3.85Å; E426-T430 WeakPolarHBondContact O-CB 3.29Å; E426-T430 PolarHBondContact O-N 2.97Å; E426-T430 PolarHBondContact O-OG1 2.91Å; F427-T430 PolarHBondContact O-N 2.97Å; L428-T430 VanDerWaalsContact C-N 3.28Å; L428-T430 PolarHBondContact O-N 2.9Å; T430-Y434 HydrophobicContact CG2-CE2 4.33Å; T430-Y434 WeakPolarHBondContact O-CD2 3.5Å
431V90.5Very high67.5Low3 Ų350.9 Ų50.92%0.01830%0.296CS..Hα-helixtrans-72.3-42.7178.6169.20000112.3I379 F380 L383 F427 L428 Y499I379-V431 HydrophobicContact CG1-CG1 4.2Å; I379-V431 HydrophobicContact CG1-CG2 4.09Å; I379-V431 HydrophobicContact CG2-CG1 3.73Å; I379-V431 HydrophobicContact CG2-CG2 4.48Å; F380-V431 HydrophobicContact CD1-CG1 4.11Å; F380-V431 HydrophobicContact CE1-CG1 3.56Å; F380-V431 HydrophobicContact CZ-CG1 4.18Å; L383-V431 HydrophobicContact CD1-CG1 3.8Å; F427-V431 HydrophobicContact CD1-CG2 4.24Å; F427-V431 HydrophobicContact CE1-CG2 3.95Å; F427-V431 HydrophobicContact CZ-CG2 4.22Å; F427-V431 WeakPolarHBondContact O-CG2 3.5Å; F427-V431 PolarHBondContact O-N 2.88Å; L428-V431 PolarHBondContact O-N 3.23Å; V431-Y499 HydrophobicContact CG2-CD1 3.82Å; V431-Y499 HydrophobicContact CG2-CE1 4.13Å; V431-Y499 HydrophobicContact CG2-CG 4.25Å
432F87Confident64.3Low7 Ų757.4 Ų57.43%0.03134%0.336CS..Hα-helixtrans-93.7-28.7-176.8-66-69.6000114.3F380 L383 I388 H390 N393 L428 Y434 L435F380-F432 HydrophobicContact CD1-CD1 4.4Å; F380-F432 AromaticContact CD1-CE1 3.88Å; F380-F432 HydrophobicContact CD1-CE1 3.88Å; F380-F432 HydrophobicContact CE1-CD1 4.19Å; F380-F432 HydrophobicContact CE1-CE1 4.12Å; L383-F432 HydrophobicContact CB-CZ 4.46Å; L383-F432 HydrophobicContact CD1-CE2 3.87Å; L383-F432 HydrophobicContact CD1-CZ 3.86Å; I388-F432 HydrophobicContact CG2-CE2 3.92Å; I388-F432 HydrophobicContact CG2-CZ 4.29Å; H390-F432 HydrophobicContact CB-CD1 4.13Å; H390-F432 HydrophobicContact CB-CE1 4.46Å; N393-F432 HydrophobicContact CB-CD2 3.74Å; N393-F432 HydrophobicContact CB-CE2 4.11Å; N393-F432 HydrophobicContact CB-CG 4.21Å; L428-F432 HydrophobicContact CB-CD2 4.42Å; L428-F432 HydrophobicContact CD2-CE2 4.14Å; L428-F432 WeakPolarHBondContact O-CD2 3.35Å; L428-F432 PolarHBondContact O-N 3.36Å; F432-Y434 PolarHBondContact O-N 2.88Å; F432-L435 HydrophobicContact CD1-CD1 4.01Å; F432-L435 WeakPolarHBondContact O-CB 3.46Å; F432-L435 PolarHBondContact O-N 3.07Å
433G71.5Confident61.5Low59 Ų5963.1 Ų63.161%0.60836%0.361SS*.THydrogen-bonded Turntrans-67.20.9-172.100000117K429K429-G433 VanDerWaalsContact O-CA 3.3Å; K429-G433 WeakPolarHBondContact O-CA 3.4Å; K429-G433 PolarHBondContact O-N 2.9Å
434Y59.1Low58.4Low55 Ų5567.7 Ų67.722%0.21639%0.387CS..THydrogen-bonded Turntrans-108.63.2172-63.6-93.7000113.2S270 T430 F432 P436 Q510S270-Y434 PolarHBondContact OG-OH 3.27Å; T430-Y434 HydrophobicContact CG2-CE2 4.33Å; T430-Y434 WeakPolarHBondContact O-CD2 3.5Å; F432-Y434 PolarHBondContact O-N 2.88Å; Y434-P436 WeakPolarHBondContact O-CD 3.46Å; Y434-Q510 HydrophobicContact CE1-CG 4.48Å
435L45.9Very low55.3Low64 Ų6476.2 Ų76.234%0.33543%0.425SS..SBendtrans-89.2118.4171.2-71.9166.8000109.3F380 F432 G437F380-L435 HydrophobicContact CE1-CD1 3.82Å; F380-L435 HydrophobicContact CZ-CD1 4.24Å; F432-L435 HydrophobicContact CD1-CD1 4.01Å; F432-L435 WeakPolarHBondContact O-CB 3.46Å; F432-L435 PolarHBondContact O-N 3.07Å; L435-G437 VanDerWaalsContact C-N 3.34Å; L435-G437 PolarHBondContact O-N 3.21Å
436P34.3Very low52.2Low82 Ų8286.2 Ų86.253%0.53247%0.468SS..  trans-79.980.4-178.531.7-35.3000111.6Y434 H453Y434-P436 WeakPolarHBondContact O-CD 3.46Å; P436-H453 WeakPolarHBondContact CG-CE1 3.24Å
437G30.4Very low49.6Very low41 Ų4189.3 Ų89.342%0.42349%0.489SS..  trans-89.214414400000109.3L435L435-G437 VanDerWaalsContact C-N 3.34Å; L435-G437 PolarHBondContact O-N 3.21Å
438E27.4Very low46.8Very low178 Ų17897.3 Ų97.383%0.83253%0.532SS*.SBendtrans60.460169-62.8175.4-144.200116.8
439A26.8Very low44.2Very low74 Ų74100.5 Ų100.561%0.61255%0.545SS*.  trans-132.187.6160.700000111.4V441A439-V441 HydrophobicContact CB-CG2 4.46Å; A439-V441 PolarHBondContact O-N 3.19Å
440N23.6Very low41.6Very low173 Ų173106 Ų10693%0.92557%0.57SS**  trans-7371173.4-80.8-29000111.2
441V26.7Very low39.4Very low103 Ų103108.5 Ų108.562%0.62458%0.582SS**  trans-125.680.4-174.8-173.30000111A439 F443A439-V441 HydrophobicContact CB-CG2 4.46Å; A439-V441 PolarHBondContact O-N 3.19Å; V441-F443 VanDerWaalsContact C-N 3.33Å; V441-F443 HydrophobicContact CG1-CB 4.39Å; V441-F443 HydrophobicContact CG1-CD2 3.65Å; V441-F443 HydrophobicContact CG1-CE2 4.42Å; V441-F443 HydrophobicContact CG1-CG 4.37Å; V441-F443 PolarHBondContact O-N 3.35Å
442T22Very low36.8Very low137 Ų137115 Ų11584%0.8461%0.612SS**  trans-76.875.5177.2-48.50000111.3
443F26.9Very low34.5Very low174 Ų174121.1 Ų121.176%0.76364%0.641SS**  trans-111.9112.6-179.8-92.3-97.8000114V441 F445V441-F443 VanDerWaalsContact C-N 3.33Å; V441-F443 HydrophobicContact CG1-CB 4.39Å; V441-F443 HydrophobicContact CG1-CD2 3.65Å; V441-F443 HydrophobicContact CG1-CE2 4.42Å; V441-F443 HydrophobicContact CG1-CG 4.37Å; V441-F443 PolarHBondContact O-N 3.35Å; F443-F445 PolarHBondContact O-N 3.25Å
444N23.4Very low33Very low156 Ų156125.1 Ų125.183%0.83465%0.648SS**  trans-79108.4166.8-83.2-55.3000110.2
445F27.6Very low32.8Very low181 Ų181125.4 Ų125.479%0.79465%0.653SS**  trans-133.3135.6155.9-108.9-87.1000111.2F443 T447F443-F445 PolarHBondContact O-N 3.25Å; F445-T447 VanDerWaalsContact C-N 3.29Å; F445-T447 PolarHBondContact O-N 3.06Å
446K26.6Very low34Very low212 Ų212123.5 Ų123.592%0.92265%0.645SS**  trans-81.769.3-178.4-74.1179.5175.7176.20111.3
447T32.2Very low36.3Very low92 Ų92122 Ų12256%0.56463%0.632SS**  trans-126138167.555.50000109.8F445 F449F445-T447 VanDerWaalsContact C-N 3.29Å; F445-T447 PolarHBondContact O-N 3.06Å; T447-F449 PolarHBondContact O-N 3.36Å
448N32.9Very low39Very low172 Ų172121.6 Ų121.692%0.9262%0.623SS**  trans-79.434.9-168-75.3-11.7000114.5K450N448-K450 VanDerWaalsContact C-N 3.29Å; N448-K450 PolarHBondContact O-N 2.88Å
449F39.4Very low42Very low68 Ų68113.2 Ų113.230%0.29858%0.584SS.*  trans-81.170.4173.2-85.9-89.4000111.4T447 I512 N537 L538T447-F449 PolarHBondContact O-N 3.36Å; F449-I512 HydrophobicContact CE1-CD1 4.31Å; F449-I512 HydrophobicContact CE2-CD1 4.4Å; F449-I512 HydrophobicContact CZ-CD1 3.94Å; F449-N537 WeakPolarHBondContact CE1-O 3.37Å; F449-N537 WeakPolarHBondContact CZ-O 3.48Å; F449-L538 HydrophobicContact CZ-CD1 4.25Å
450K32.9Very low45.2Very low186 Ų186110 Ų11081%0.80956%0.556SS**  trans-108.480.3170.8-80.1-173.4173.7179.20111.7N448N448-K450 VanDerWaalsContact C-N 3.29Å; N448-K450 PolarHBondContact O-N 2.88Å
451L39.6Very low48.7Very low62 Ų62102.5 Ų102.533%0.32552%0.515SS..  trans-83.2117.7148.9-76.3159.2000106.6D455L451-D455 HydrophobicContact CB-CB 4.42Å; L451-D455 HydrophobicContact CD2-CB 3.77Å
452Q37.2Very low52Low138 Ų13897.6 Ų97.665%0.64549%0.485SS*.  trans-76.9158.8178.2-64.2-173.7-7.300109.6N454 D455Q452-N454 PolarHBondContact O-N 3.25Å; Q452-D455 PolarHBondContact N-OD2 3.07Å; Q452-D455 WeakPolarHBondContact O-CB 3.29Å; Q452-D455 PolarHBondContact O-N 3.2Å
453H37.4Very low55.6Low137 Ų13791.3 Ų91.363%0.63445%0.446SS*.THydrogen-bonded Turntrans-50.9-36.1-170.5-74.6-161.7000113.8P436 D455 S456P436-H453 WeakPolarHBondContact CG-CE1 3.24Å; H453-D455 PolarHBondContact O-N 3.18Å; H453-S456 WeakPolarHBondContact O-CB 3.39Å; H453-S456 PolarHBondContact O-N 3.36Å; H453-S456 PolarHBondContact O-OG 2.98Å
454N41.4Very low58.9Low143 Ų14383 Ų8377%0.76541%0.41SS*.THydrogen-bonded Turntrans-70.9-25.2-179.9-69-21.2000114.1Q452 S456Q452-N454 PolarHBondContact O-N 3.25Å; N454-S456 PolarHBondContact O-N 2.92Å
455D55Low62.3Low61 Ų6178.8 Ų78.833%0.32638%0.384SS..Hα-helixtrans-68.1-24.3-179.9-58.9-41.6000111.4L451 Q452 H453 I457 S458 R506L451-D455 HydrophobicContact CB-CB 4.42Å; L451-D455 HydrophobicContact CD2-CB 3.77Å; Q452-D455 PolarHBondContact N-OD2 3.07Å; Q452-D455 WeakPolarHBondContact O-CB 3.29Å; Q452-D455 PolarHBondContact O-N 3.2Å; H453-D455 PolarHBondContact O-N 3.18Å; D455-I457 PolarHBondContact O-N 3.17Å; D455-S458 WeakPolarHBondContact O-CB 3.15Å; D455-S458 PolarHBondContact O-N 3.43Å; D455-S458 VanDerWaalsContact O-N 3.17Å; D455-S458 PolarHBondContact O-OG 3.15Å; D455-R506 PolarHBondContact O-NH2 2.98Å
456S69.9Low65.3Low24 Ų2472.5 Ų72.517%0.16836%0.359CS..Hα-helixtrans-55.9-48.3178.9-58.50000113.3H453 N454 S458 C459 Y460 R506H453-S456 WeakPolarHBondContact O-CB 3.39Å; H453-S456 PolarHBondContact O-N 3.36Å; H453-S456 PolarHBondContact O-OG 2.98Å; N454-S456 PolarHBondContact O-N 2.92Å; S456-S458 VanDerWaalsContact C-N 3.27Å; S456-S458 PolarHBondContact O-N 3.12Å; S456-C459 WeakPolarHBondContact O-CB 3.21Å; S456-C459 PolarHBondContact O-N 3.46Å; S456-Y460 WeakPolarHBondContact O-CD2 3.48Å; S456-R506 VanDerWaalsContact CA-NH2 3.26Å; S456-R506 PolarHBondContact OG-NH1 2.86Å
457I82.7Confident67.9Low49 Ų4965.1 Ų65.125%0.25133%0.33SS..Hα-helixtrans-70.9-27.3-179.3-60.2172.7000110.8S377 F380 D455 C459 Y460S377-I457 VanDerWaalsContact N-CG2 3.32Å; F380-I457 HydrophobicContact CD2-CD1 4.48Å; F380-I457 HydrophobicContact CE2-CD1 3.87Å; F380-I457 HydrophobicContact CE2-CG1 4.19Å; D455-I457 PolarHBondContact O-N 3.17Å; I457-C459 PolarHBondContact O-N 3.22Å; I457-Y460 PolarHBondContact O-N 3.47Å
458S86.6Confident69.6Low34 Ų3466.9 Ų66.924%0.23833%0.334CS..Hα-helixtrans-66.1-20.7177.987.70000113.8D455 S456 Y460 R461 Y706D455-S458 WeakPolarHBondContact O-CB 3.15Å; D455-S458 PolarHBondContact O-N 3.43Å; D455-S458 VanDerWaalsContact O-N 3.17Å; D455-S458 PolarHBondContact O-OG 3.15Å; S456-S458 VanDerWaalsContact C-N 3.27Å; S456-S458 PolarHBondContact O-N 3.12Å; S458-Y460 PolarHBondContact O-N 3.23Å; S458-R461 PolarHBondContact O-NH1 3.31Å; S458-Y706 WeakPolarHBondContact O-CE2 3.35Å
459C91.7Very high70.8Confident2 Ų262.6 Ų62.61%0.01431%0.311CS..THydrogen-bonded Turntrans-71.3-14.3173.4-64.40000113.8S456 I457 F502 S503 R506S456-C459 WeakPolarHBondContact O-CB 3.21Å; S456-C459 PolarHBondContact O-N 3.46Å; I457-C459 PolarHBondContact O-N 3.22Å; C459-F502 PolarHBondContact O-N 3.14Å; C459-S503 WeakPolarHBondContact SG-CB 3.47Å; C459-S503 PolarHBondContact SG-OG 2.67Å; C459-R506 PolarHBondContact SG-NE 2.76Å; C459-R506 PolarHBondContact SG-NH2 3.03Å; C459-R506 VanDerWaalsContact SG-NH2 3.41Å
460Y94.5Very high70.9Confident5 Ų563.3 Ų63.32%0.0232%0.324CS..EExtended strand (participates in β ladder)trans-111.8147.6-172.1-71.6-93.7000113.5S270 G376 S456 I457 S458 Y499 W500 C501S270-Y460 VanDerWaalsContact O-CE1 3.28Å; S270-Y460 WeakPolarHBondContact O-CE1 3.23Å; S270-Y460 PolarHBondContact O-OH 3.49Å; G376-Y460 PolarHBondContact N-O 2.88Å; S456-Y460 WeakPolarHBondContact O-CD2 3.48Å; I457-Y460 PolarHBondContact O-N 3.47Å; S458-Y460 PolarHBondContact O-N 3.23Å; Y460-Y499 AromaticContact CD1-CD1 3.58Å; Y460-Y499 HydrophobicContact CD1-CD1 3.58Å; Y460-Y499 HydrophobicContact CD1-CD2 4.26Å; Y460-Y499 AromaticContact CD1-CE1 3.24Å; Y460-Y499 HydrophobicContact CD1-CE1 3.24Å; Y460-Y499 AromaticContact CD1-CE2 3.98Å; Y460-Y499 HydrophobicContact CD1-CE2 3.98Å; Y460-Y499 HydrophobicContact CD1-CG 4.09Å; Y460-Y499 AromaticContact CD1-CZ 3.46Å; Y460-Y499 VanDerWaalsContact CD1-CZ 3.46Å; Y460-Y499 HydrophobicContact CD2-CE1 4.41Å; Y460-Y499 AromaticContact CE1-CD1 3.78Å; Y460-Y499 HydrophobicContact CE1-CD1 3.78Å; Y460-Y499 AromaticContact CE1-CE1 3.45Å; Y460-Y499 HydrophobicContact CE1-CE1 3.45Å; Y460-Y499 VanDerWaalsContact CE1-CE1 3.45Å; Y460-Y499 HydrophobicContact CG-CD1 4.46Å; Y460-Y499 AromaticContact CG-CE1 3.77Å; Y460-Y499 HydrophobicContact CG-CE1 3.77Å; Y460-Y499 HydrophobicContact CG-CE2 4.01Å; Y460-Y499 AromaticContact CG-CZ 3.5Å; Y460-W500 VanDerWaalsContact CA-O 3.26Å; Y460-W500 WeakPolarHBondContact CA-O 3.24Å; Y460-C501 HydrophobicContact CD1-CB 3.94Å; Y460-C501 HydrophobicContact CE1-CB 3.5Å; Y460-C501 VanDerWaalsContact CE1-CB 3.5Å; Y460-C501 HydrophobicContact CE2-CB 4.45Å
461R96.2Very high71.2Confident17 Ų1758 Ų586%0.06432%0.315CS..EExtended strand (participates in β ladder)trans-127.6146.3163-61.3-65.2176.7-80.3-0.9109.3T373 S458 W500 F502 L702 E709T373-R461 HydrophobicContact CG2-CB 4.46Å; S458-R461 PolarHBondContact O-NH1 3.31Å; R461-W500 PolarHBondContact N-O 2.91Å; R461-W500 PolarHBondContact O-N 3.46Å; R461-F502 HydrophobicContact CB-CE2 4.03Å; R461-F502 HydrophobicContact CG-CD2 4.19Å; R461-F502 HydrophobicContact CG-CE2 3.92Å; R461-L702 HydrophobicContact CB-CD1 4.45Å; R461-E709 IonicContact CZ-OE1 2.79Å; R461-E709 IonicContact NH2-OE1 3.64Å; R461-E709 PolarHBondContact NH2-OE1 2.88Å; R461-E709 IonicContact NH2-OE2 3.71Å; R461-E709 PolarHBondContact NH2-OE2 3.36Å
462L96.2Very high71Confident0 Ų062.1 Ų62.10%034%0.337CS..EExtended strand (participates in β ladder)trans-99.3120.1169.4-164.977000108.2T373 K374 F378 I379 I464 I497 S498 Y499T373-L462 CarbonylContact C-O 3.46Å; T373-L462 WeakPolarHBondContact CA-O 3.39Å; K374-L462 HydrophobicContact CB-CB 4.39Å; K374-L462 PolarHBondContact N-O 3.24Å; K374-L462 PolarHBondContact O-N 3.21Å; F378-L462 HydrophobicContact CD1-CD2 3.73Å; F378-L462 HydrophobicContact CE1-CD2 4.43Å; I379-L462 HydrophobicContact CB-CD1 4.26Å; I379-L462 HydrophobicContact CB-CD2 4.45Å; I379-L462 HydrophobicContact CD1-CD1 3.98Å; I379-L462 HydrophobicContact CD1-CD2 4.16Å; I379-L462 HydrophobicContact CG1-CD1 4.26Å; L462-I464 HydrophobicContact CD2-CD1 4Å; L462-I464 HydrophobicContact CD2-CG1 4.39Å; L462-I464 HydrophobicContact CG-CD1 4.49Å; L462-I464 HydrophobicContact CG-CG1 4.34Å; L462-I497 HydrophobicContact CD1-CG2 3.64Å; L462-I497 HydrophobicContact CD2-CG2 4.45Å; L462-I497 HydrophobicContact CG-CG2 4.19Å; L462-S498 CarbonylContact C-O 3.58Å; L462-S498 WeakPolarHBondContact CA-O 3.27Å; L462-Y499 HydrophobicContact CD1-CD2 3.87Å; L462-Y499 HydrophobicContact CD1-CG 4.41Å
463H97.3Very high70.8Confident5 Ų561.2 Ų61.22%0.02334%0.337CS..EExtended strand (participates in β ladder)trans-118.8132175.2-177.674.9000109.7T373 S498 W500 P698 L702T373-H463 PolarHBondContact OG1-ND1 3.22Å; H463-S498 PolarHBondContact N-O 3.33Å; H463-S498 WeakPolarHBondContact O-CB 3.45Å; H463-S498 PolarHBondContact O-N 3.44Å; H463-W500 HydrophobicContact CB-CE3 4.03Å; H463-W500 HydrophobicContact CB-CH2 4.12Å; H463-W500 HydrophobicContact CB-CZ3 3.63Å; H463-W500 AromaticContact CD2-CH2 3.7Å; H463-W500 AromaticContact CD2-CZ3 3.94Å; H463-W500 AromaticContact CG-CZ3 3.84Å; H463-P698 VanDerWaalsContact CE1-CB 3.43Å; H463-P698 WeakPolarHBondContact CE1-CB 3.24Å; H463-P698 WeakPolarHBondContact NE2-CB 3.39Å; H463-P698 WeakPolarHBondContact NE2-CG 3.49Å; H463-L702 HydrophobicContact CB-CD1 4.37Å
464I96.4Very high70.7Confident0 Ų058.8 Ų58.80%034%0.335CS..EExtended strand (participates in β ladder)trans-127.5128-173.2-54.3-178.6000108.9L365 V367 G371 L372 L462 R495 T496 I497L365-I464 HydrophobicContact CD1-CD1 3.46Å; L365-I464 VanDerWaalsContact CD1-CD1 3.46Å; V367-I464 WeakPolarHBondContact CG1-O 3.35Å; V367-I464 HydrophobicContact CG2-CB 4.47Å; V367-I464 HydrophobicContact CG2-CG2 3.73Å; G371-I464 CarbonylContact C-O 3.54Å; G371-I464 WeakPolarHBondContact CA-O 3.35Å; L372-I464 HydrophobicContact CB-CB 4.38Å; L372-I464 PolarHBondContact N-O 2.96Å; L372-I464 PolarHBondContact O-N 3.49Å; L462-I464 HydrophobicContact CD2-CD1 4Å; L462-I464 HydrophobicContact CD2-CG1 4.39Å; L462-I464 HydrophobicContact CG-CD1 4.49Å; L462-I464 HydrophobicContact CG-CG1 4.34Å; I464-R495 HydrophobicContact CG2-CG 3.92Å; I464-T496 CarbonylContact C-O 3.57Å; I464-T496 VanDerWaalsContact CA-O 3.24Å; I464-T496 WeakPolarHBondContact CA-O 3.49Å; I464-I497 HydrophobicContact CD1-CD1 3.95Å; I464-I497 HydrophobicContact CD1-CG1 4.16Å; I464-I497 HydrophobicContact CG1-CB 4.47Å; I464-I497 HydrophobicContact CG1-CD1 4.33Å; I464-I497 HydrophobicContact CG1-CG1 3.98Å; I464-I497 HydrophobicContact CG1-CG2 4.31Å; I464-I497 HydrophobicContact CG2-CG1 4.02Å
465K94.1Very high70.2Confident66 Ų6658.4 Ų58.429%0.28733%0.333SS..EExtended strand (participates in β ladder)trans-145.3141.8-173.4-178.4165.1174.5-890112.2D467 R495 T496K465-D467 IonicContact NZ-OD1 3.55Å; K465-D467 PolarHBondContact NZ-OD1 3.17Å; K465-R495 CarbonylContact O-C 3.53Å; K465-R495 WeakPolarHBondContact O-CA 3.38Å; K465-T496 PolarHBondContact N-O 3Å; K465-T496 PolarHBondContact O-N 3.43Å; K465-T496 PolarHBondContact O-OG1 3.04Å
466D92Very high69.3Low50 Ų5063.8 Ų63.827%0.26735%0.353SS..EExtended strand (participates in β ladder)trans-92.6103.5174.8-68.5-21.6000109.8T493 R495D466-T493 HydrophobicContact CB-CG2 4.45Å; D466-R495 WeakPolarHBondContact OD1-CA 3.45Å; D466-R495 VanDerWaalsContact OD1-CB 3.22Å; D466-R495 WeakPolarHBondContact OD1-CB 3.42Å; D466-R495 WeakPolarHBondContact OD1-CG 3.46Å; D466-R495 IonicContact OD1-CZ 3.58Å; D466-R495 IonicContact OD1-NE 3.63Å; D466-R495 PolarHBondContact OD1-NE 3.12Å; D466-R495 IonicContact OD1-NH2 3.51Å; D466-R495 PolarHBondContact OD1-NH2 2.97Å; D466-R495 IonicContact OD2-CZ 2.67Å; D466-R495 IonicContact OD2-NE 3.14Å; D466-R495 IonicContact OD2-NH2 3.54Å; D466-R495 PolarHBondContact OD2-NH2 2.94Å
467D81.4Confident67.5Low57 Ų5769.7 Ų69.731%0.30537%0.373SS..EExtended strand (participates in β ladder)trans-89.1124.3177.7-75-55.3000110.9K465 L469 N494 T496K465-D467 IonicContact NZ-OD1 3.55Å; K465-D467 PolarHBondContact NZ-OD1 3.17Å; D467-L469 PolarHBondContact O-N 3.21Å; D467-N494 PolarHBondContact N-O 2.9Å; D467-N494 PolarHBondContact O-N 2.84Å; D467-T496 PolarHBondContact OD2-OG1 3.26Å
468I67.9Low65.1Low129 Ų12969.7 Ų69.766%0.66239%0.385SS*.EExtended strand (participates in β ladder)trans-70.4119.6176-58.5172.7000108.7S470I468-S470 VanDerWaalsContact C-N 3.31Å; I468-S470 PolarHBondContact O-N 3.07Å
469L57.8Low62.1Low81 Ų8177.2 Ų77.242%0.42441%0.413SS..  trans-7086.9174.5-67.1175.3000110.6D467 A471 T492 N494D467-L469 PolarHBondContact O-N 3.21Å; L469-A471 PolarHBondContact O-N 2.86Å; L469-T492 VanDerWaalsContact CB-O 3.26Å; L469-T492 WeakPolarHBondContact CB-O 3.39Å; L469-T492 VanDerWaalsContact CG-O 3.32Å; L469-T492 WeakPolarHBondContact CG-O 3.45Å; L469-T492 PolarHBondContact N-O 3.35Å; L469-T492 VanDerWaalsContact N-O 3.1Å; L469-N494 HydrophobicContact CD1-CB 4.19Å; L469-N494 HydrophobicContact CD2-CB 3.91Å; L469-N494 HydrophobicContact CG-CB 3.97Å
470S41.6Very low59.4Low84 Ų8483.2 Ų83.259%0.58745%0.445SS*.  trans-60.9135.8172.8-168.80000110.5I468 N472 N473I468-S470 VanDerWaalsContact C-N 3.31Å; I468-S470 PolarHBondContact O-N 3.07Å; S470-N472 PolarHBondContact O-N 2.83Å; S470-N473 PolarHBondContact O-N 2.93Å; S470-N473 VanDerWaalsContact O-N 3.13Å
471A38Very low56.2Low75 Ų7587.1 Ų87.162%0.6248%0.478SS*.G310 helixtrans-57.1-21.6-160.900000115.3L469 N473 C474L469-A471 PolarHBondContact O-N 2.86Å; A471-N473 PolarHBondContact O-N 2.85Å; A471-C474 PolarHBondContact O-SG 2.95Å
472N35.1Very low52.9Low147 Ų14798.5 Ų98.579%0.78652%0.521SS*.G310 helixtrans-70.6-14.8-178.8-63.9-10.2000114.1S470S470-N472 PolarHBondContact O-N 2.83Å
473N33.9Very low49.7Very low119 Ų119105.6 Ų105.664%0.63656%0.56SS**G310 helixtrans-93.4-6.7-179.9-92.5-15.6000115S470 A471 N475 K476S470-N473 PolarHBondContact O-N 2.93Å; S470-N473 VanDerWaalsContact O-N 3.13Å; A471-N473 PolarHBondContact O-N 2.85Å; N473-N475 VanDerWaalsContact C-N 3.25Å; N473-N475 PolarHBondContact O-N 3.43Å; N473-K476 PolarHBondContact O-N 2.72Å
474C34.7Very low46.4Very low87 Ų87111.6 Ų111.659%0.58860%0.597SS**G310 helixtrans-64.1-28.1-176.566.80000113.5A471 K476 Y477A471-C474 PolarHBondContact O-SG 2.95Å; C474-K476 PolarHBondContact O-N 2.73Å; C474-Y477 PolarHBondContact O-N 3.1Å
475N32.2Very low43.3Very low135 Ų135118 Ų11872%0.72263%0.627SS**G310 helixtrans-65.80.1-178-80.9-41000115.4N473N473-N475 VanDerWaalsContact C-N 3.25Å; N473-N475 PolarHBondContact O-N 3.43Å
476K34.7Very low40.4Very low174 Ų174120.9 Ų120.976%0.75765%0.652SS**G310 helixtrans-109.7-0.3176.3-88.5-173.1173.2-178.90115.8N473 C474N473-K476 PolarHBondContact O-N 2.72Å; C474-K476 PolarHBondContact O-N 2.73Å
477Y32.4Very low37.3Very low147 Ų147125.6 Ų125.658%0.57668%0.677SS**SBendtrans-134.587.6178-70.3-74.2000111.5K419 C474K419-Y477 PolarHBondContact NZ-OH 2.85Å; C474-Y477 PolarHBondContact O-N 3.1Å
478G31.6Very low34.9Very low49 Ų49127.9 Ų127.951%0.50569%0.693SS.*  trans70.995.816000000117.2N480G478-N480 PolarHBondContact O-N 3.43Å
479K25Very low33.3Very low192 Ų192129 Ų12984%0.83571%0.706SS**  trans-7375.4159.4-78.7-172.9174.2-179.30111.5
480N33.4Very low32.6Very low129 Ų129130.5 Ų130.569%0.6972%0.719SS**  trans-108.3101153.7-64.722.9000104.5G478G478-N480 PolarHBondContact O-N 3.43Å
481A28.5Very low33.2Very low86 Ų86128.7 Ų128.771%0.71171%0.713SS**  55.7109.983.500000111.4
482W25.6Very low34.4Very low256 Ų256129.9 Ų129.997%0.9771%0.713SS**  trans82.564177.3-57.120.4000117.7
483D30.2Very low36.3Very low150 Ų150127.1 Ų127.180%0.80270%0.702SS**  -152.8138.8119.6-152.2-13.5000111
484T28.4Very low38.9Very low130 Ų130122.7 Ų122.780%0.79868%0.678SS**  trans-143.166.2-174.5-45.10000111.4
485Q31.5Very low41.7Very low135 Ų135120 Ų12063%0.63166%0.655SS**  trans-136.9110160.5-74.3-156.5-31.800112.5N487Q485-N487 VanDerWaalsContact C-N 3.33Å; Q485-N487 PolarHBondContact O-N 2.96Å
486P31.8Very low44.6Very low127 Ų127114.5 Ų114.583%0.82563%0.627SS**  trans-8075.9177.433.4-34.6000110.9
487N28.1Very low47.5Very low148 Ų148106.5 Ų106.579%0.79159%0.592SS**  trans-155.361.7177.2-105.2-33.9000115.2Q485Q485-N487 VanDerWaalsContact C-N 3.33Å; Q485-N487 PolarHBondContact O-N 2.96Å
488T30.9Very low50.6Low105 Ų10599.9 Ų99.964%0.64457%0.567SS**  trans-169.7124.2135.512.90000110.6V490 K944T488-V490 VanDerWaalsContact C-N 3.26Å; T488-V490 PolarHBondContact O-N 3.26Å; T488-K944 PolarHBondContact OG1-NZ 3.32Å; T488-K944 VanDerWaalsContact OG1-NZ 3.1Å
489T33.6Very low53.7Low153 Ų15397.8 Ų97.894%0.93954%0.544SS*.  trans-79.168.1178.642.70000112.4
490V43.5Very low57.1Low113 Ų11390.2 Ų90.269%0.68551%0.51SS*.  trans-120.8101.7161.8-1770000106.5T488T488-V490 VanDerWaalsContact C-N 3.26Å; T488-V490 PolarHBondContact O-N 3.26Å
491G53.8Low60Low45 Ų4584.1 Ų84.146%0.46448%0.478SS..PPolyproline II helixtrans-63137.8177.300000110.4T493G491-T493 PolarHBondContact O-N 3.44Å
492T63Low63.2Low101 Ų10180 Ų8062%0.6244%0.444SS*.PPolyproline II helixtrans-64.1118.8176.133.60000109.9L469L469-T492 VanDerWaalsContact CB-O 3.26Å; L469-T492 WeakPolarHBondContact CB-O 3.39Å; L469-T492 VanDerWaalsContact CG-O 3.32Å; L469-T492 WeakPolarHBondContact CG-O 3.45Å; L469-T492 PolarHBondContact N-O 3.35Å; L469-T492 VanDerWaalsContact N-O 3.1Å
493T75.6Confident66.4Low89 Ų8968.5 Ų68.555%0.54640%0.402SS..EExtended strand (participates in β ladder)trans-82.8125175.244.30000109.4D466 G491D466-T493 HydrophobicContact CB-CG2 4.45Å; G491-T493 PolarHBondContact O-N 3.44Å
494N87.8Confident69.4Low25 Ų2561.4 Ų61.413%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-98.1106.5169.8-174.836.7000108.6S275 A277 D467 L469 T496S275-N494 WeakPolarHBondContact CB-ND2 3.31Å; S275-N494 PolarHBondContact OG-ND2 2.91Å; A277-N494 VanDerWaalsContact CB-OD1 3.31Å; A277-N494 WeakPolarHBondContact CB-OD1 3.39Å; A277-N494 PolarHBondContact N-OD1 2.73Å; D467-N494 PolarHBondContact N-O 2.9Å; D467-N494 PolarHBondContact O-N 2.84Å; L469-N494 HydrophobicContact CD1-CB 4.19Å; L469-N494 HydrophobicContact CD2-CB 3.91Å; L469-N494 HydrophobicContact CG-CB 3.97Å; N494-T496 PolarHBondContact O-N 2.78Å
495R93.5Very high72.4Confident30 Ų3055.4 Ų55.411%0.11333%0.329CS..EExtended strand (participates in β ladder)trans-68.2127.7174-176.9161.8-72.4178.32.2109.5S275 S276 I362 D363 L365 I464 K465 D466S275-R495 CarbonylContact C-O 3.55Å; S275-R495 WeakPolarHBondContact CA-O 3.38Å; S275-R495 WeakPolarHBondContact CB-O 3.25Å; S276-R495 PolarHBondContact N-O 2.83Å; I362-R495 HydrophobicContact CG2-CG 4.12Å; I362-R495 PolarHBondContact O-NH1 2.97Å; D363-R495 PolarHBondContact O-NH1 2.99Å; L365-R495 PolarHBondContact O-NH1 3.07Å; L365-R495 PolarHBondContact O-NH2 2.7Å; I464-R495 HydrophobicContact CG2-CG 3.92Å; K465-R495 CarbonylContact O-C 3.53Å; K465-R495 WeakPolarHBondContact O-CA 3.38Å; D466-R495 WeakPolarHBondContact OD1-CA 3.45Å; D466-R495 VanDerWaalsContact OD1-CB 3.22Å; D466-R495 WeakPolarHBondContact OD1-CB 3.42Å; D466-R495 WeakPolarHBondContact OD1-CG 3.46Å; D466-R495 IonicContact OD1-CZ 3.58Å; D466-R495 IonicContact OD1-NE 3.63Å; D466-R495 PolarHBondContact OD1-NE 3.12Å; D466-R495 IonicContact OD1-NH2 3.51Å; D466-R495 PolarHBondContact OD1-NH2 2.97Å; D466-R495 IonicContact OD2-CZ 2.67Å; D466-R495 IonicContact OD2-NE 3.14Å; D466-R495 IonicContact OD2-NH2 3.54Å; D466-R495 PolarHBondContact OD2-NH2 2.94Å
496T94.3Very high75Confident21 Ų2149.9 Ų49.913%0.12930%0.302CS..EExtended strand (participates in β ladder)trans-111.7137175.762.30000109.7I464 K465 D467 N494I464-T496 CarbonylContact C-O 3.57Å; I464-T496 VanDerWaalsContact CA-O 3.24Å; I464-T496 WeakPolarHBondContact CA-O 3.49Å; K465-T496 PolarHBondContact N-O 3Å; K465-T496 PolarHBondContact O-N 3.43Å; K465-T496 PolarHBondContact O-OG1 3.04Å; D467-T496 PolarHBondContact OD2-OG1 3.26Å; N494-T496 PolarHBondContact O-N 2.78Å
497I95.7Very high77.8Confident6 Ų643.8 Ų43.83%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-118.1111.8174.5-63.5-163.2000108.1T273 L274 I362 L382 F427 L462 I464T273-I497 CarbonylContact C-O 3.59Å; T273-I497 VanDerWaalsContact CA-O 3.27Å; T273-I497 WeakPolarHBondContact CA-O 3.4Å; L274-I497 PolarHBondContact N-O 3.05Å; L274-I497 PolarHBondContact O-N 2.84Å; I362-I497 HydrophobicContact CB-CD1 4.22Å; I362-I497 HydrophobicContact CD1-CD1 3.65Å; I362-I497 HydrophobicContact CG1-CD1 3.5Å; I362-I497 VanDerWaalsContact CG1-CD1 3.5Å; I362-I497 HydrophobicContact CG2-CD1 3.82Å; I362-I497 HydrophobicContact CG2-CG1 4.47Å; L382-I497 HydrophobicContact CD2-CD1 4.39Å; F427-I497 HydrophobicContact CE2-CG2 4.26Å; F427-I497 HydrophobicContact CZ-CG2 4.05Å; L462-I497 HydrophobicContact CD1-CG2 3.64Å; L462-I497 HydrophobicContact CD2-CG2 4.45Å; L462-I497 HydrophobicContact CG-CG2 4.19Å; I464-I497 HydrophobicContact CD1-CD1 3.95Å; I464-I497 HydrophobicContact CD1-CG1 4.16Å; I464-I497 HydrophobicContact CG1-CB 4.47Å; I464-I497 HydrophobicContact CG1-CD1 4.33Å; I464-I497 HydrophobicContact CG1-CG1 3.98Å; I464-I497 HydrophobicContact CG1-CG2 4.31Å; I464-I497 HydrophobicContact CG2-CG1 4.02Å
498S97Very high80.8Confident7 Ų736.8 Ų36.85%0.04923%0.225CC..EExtended strand (participates in β ladder)trans-106.7119.8-178.5-64.10000110.8T273 L462 H463T273-S498 WeakPolarHBondContact CG2-OG 2.8Å; T273-S498 PolarHBondContact OG1-OG 2.73Å; L462-S498 CarbonylContact C-O 3.58Å; L462-S498 WeakPolarHBondContact CA-O 3.27Å; H463-S498 PolarHBondContact N-O 3.33Å; H463-S498 WeakPolarHBondContact O-CB 3.45Å; H463-S498 PolarHBondContact O-N 3.44Å
499Y96.2Very high83.4Confident6 Ų633.6 Ų33.62%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-103.590.8171-171-118.2000107.9S271 V272 I379 V431 Y460 L462S271-Y499 WeakPolarHBondContact CA-O 3.4Å; V272-Y499 PolarHBondContact N-O 2.87Å; V272-Y499 PolarHBondContact O-N 2.79Å; I379-Y499 HydrophobicContact CB-CD2 4.47Å; I379-Y499 HydrophobicContact CB-CE2 4.43Å; I379-Y499 HydrophobicContact CG2-CD2 4.23Å; I379-Y499 HydrophobicContact CG2-CE2 3.77Å; V431-Y499 HydrophobicContact CG2-CD1 3.82Å; V431-Y499 HydrophobicContact CG2-CE1 4.13Å; V431-Y499 HydrophobicContact CG2-CG 4.25Å; Y460-Y499 AromaticContact CD1-CD1 3.58Å; Y460-Y499 HydrophobicContact CD1-CD1 3.58Å; Y460-Y499 HydrophobicContact CD1-CD2 4.26Å; Y460-Y499 AromaticContact CD1-CE1 3.24Å; Y460-Y499 HydrophobicContact CD1-CE1 3.24Å; Y460-Y499 AromaticContact CD1-CE2 3.98Å; Y460-Y499 HydrophobicContact CD1-CE2 3.98Å; Y460-Y499 HydrophobicContact CD1-CG 4.09Å; Y460-Y499 AromaticContact CD1-CZ 3.46Å; Y460-Y499 VanDerWaalsContact CD1-CZ 3.46Å; Y460-Y499 HydrophobicContact CD2-CE1 4.41Å; Y460-Y499 AromaticContact CE1-CD1 3.78Å; Y460-Y499 HydrophobicContact CE1-CD1 3.78Å; Y460-Y499 AromaticContact CE1-CE1 3.45Å; Y460-Y499 HydrophobicContact CE1-CE1 3.45Å; Y460-Y499 VanDerWaalsContact CE1-CE1 3.45Å; Y460-Y499 HydrophobicContact CG-CD1 4.46Å; Y460-Y499 AromaticContact CG-CE1 3.77Å; Y460-Y499 HydrophobicContact CG-CE1 3.77Å; Y460-Y499 HydrophobicContact CG-CE2 4.01Å; Y460-Y499 AromaticContact CG-CZ 3.5Å; L462-Y499 HydrophobicContact CD1-CD2 3.87Å; L462-Y499 HydrophobicContact CD1-CG 4.41Å
500W96.3Very high85.9Confident33 Ų3327.8 Ų27.813%0.12517%0.165CC..EExtended strand (participates in β ladder)trans-95131.5-173.6-66.5-34.6000111.4Y460 R461 H463 F502 P698 R699 L702Y460-W500 VanDerWaalsContact CA-O 3.26Å; Y460-W500 WeakPolarHBondContact CA-O 3.24Å; R461-W500 PolarHBondContact N-O 2.91Å; R461-W500 PolarHBondContact O-N 3.46Å; H463-W500 HydrophobicContact CB-CE3 4.03Å; H463-W500 HydrophobicContact CB-CH2 4.12Å; H463-W500 HydrophobicContact CB-CZ3 3.63Å; H463-W500 AromaticContact CD2-CH2 3.7Å; H463-W500 AromaticContact CD2-CZ3 3.94Å; H463-W500 AromaticContact CG-CZ3 3.84Å; W500-F502 HydrophobicContact CB-CE1 4.5Å; W500-F502 HydrophobicContact CB-CE2 4.27Å; W500-F502 HydrophobicContact CB-CZ 4.08Å; W500-F502 AromaticContact CE3-CZ 3.96Å; W500-F502 HydrophobicContact CE3-CZ 3.96Å; W500-P698 HydrophobicContact CH2-CB 4.32Å; W500-P698 HydrophobicContact CZ3-CB 4.21Å; W500-R699 HydrophobicContact CD2-CB 4.45Å; W500-R699 HydrophobicContact CD2-CG 4.08Å; W500-R699 HydrophobicContact CE3-CB 4.04Å; W500-R699 HydrophobicContact CE3-CG 3.95Å; W500-R699 HydrophobicContact CH2-CB 3.87Å; W500-R699 HydrophobicContact CZ2-CB 4.29Å; W500-R699 HydrophobicContact CZ3-CB 3.73Å; W500-R699 HydrophobicContact CZ3-CG 4.17Å; W500-L702 HydrophobicContact CE3-CD1 4.48Å; W500-L702 HydrophobicContact CZ3-CD1 4.32Å
501C94.8Very high88.1Confident0 Ų022.4 Ų22.40%013%0.132CC..EExtended strand (participates in β ladder)trans-91.2130.1166.3-168.10000109.7E267 S270 S271 Y460E267-C501 WeakPolarHBondContact CB-O 3.38Å; E267-C501 WeakPolarHBondContact CG-O 3.34Å; S270-C501 WeakPolarHBondContact O-CB 3.4Å; S271-C501 PolarHBondContact OG-N 3.23Å; Y460-C501 HydrophobicContact CD1-CB 3.94Å; Y460-C501 HydrophobicContact CE1-CB 3.5Å; Y460-C501 VanDerWaalsContact CE1-CB 3.5Å; Y460-C501 HydrophobicContact CE2-CB 4.45Å
502F95.6Very high89.8Confident0 Ų022.6 Ų22.60%012%0.122CC..  trans-105.714177.1-68.4-61000113.7C459 R461 W500 R699 L702 K703 Y706C459-F502 PolarHBondContact O-N 3.14Å; R461-F502 HydrophobicContact CB-CE2 4.03Å; R461-F502 HydrophobicContact CG-CD2 4.19Å; R461-F502 HydrophobicContact CG-CE2 3.92Å; W500-F502 HydrophobicContact CB-CE1 4.5Å; W500-F502 HydrophobicContact CB-CE2 4.27Å; W500-F502 HydrophobicContact CB-CZ 4.08Å; W500-F502 AromaticContact CE3-CZ 3.96Å; W500-F502 HydrophobicContact CE3-CZ 3.96Å; F502-R699 HydrophobicContact CE1-CG 3.61Å; F502-R699 HydrophobicContact CZ-CG 4Å; F502-L702 HydrophobicContact CE2-CB 3.62Å; F502-L702 HydrophobicContact CZ-CB 3.57Å; F502-K703 HydrophobicContact CB-CD 4.01Å; F502-K703 HydrophobicContact CD1-CB 3.64Å; F502-K703 HydrophobicContact CD1-CD 3.75Å; F502-K703 HydrophobicContact CD1-CG 4.21Å; F502-K703 HydrophobicContact CE1-CB 3.71Å; F502-K703 HydrophobicContact CG-CB 4.47Å; F502-K703 HydrophobicContact CG-CD 4.25Å; F502-K703 PolarHBondContact O-NZ 2.67Å; F502-Y706 HydrophobicContact CB-CD1 3.49Å; F502-Y706 VanDerWaalsContact CB-CD1 3.49Å; F502-Y706 HydrophobicContact CB-CD2 4.16Å; F502-Y706 HydrophobicContact CB-CE1 4.03Å; F502-Y706 HydrophobicContact CB-CG 3.57Å; F502-Y706 HydrophobicContact CG-CG 4.4Å; F502-Y706 WeakPolarHBondContact O-CD1 3.49Å; F502-Y706 WeakPolarHBondContact O-CE1 3.43Å
503S93.3Very high90.9Very high14 Ų1423.6 Ų23.610%0.09812%0.12CC..  trans-12391-171.7-1660000110.3C459 G505 R506 Y706C459-S503 WeakPolarHBondContact SG-CB 3.47Å; C459-S503 PolarHBondContact SG-OG 2.67Å; S503-G505 PolarHBondContact O-N 3.11Å; S503-R506 WeakPolarHBondContact O-CB 3.43Å; S503-R506 WeakPolarHBondContact O-CG 3.38Å; S503-R506 PolarHBondContact O-N 3.42Å; S503-Y706 WeakPolarHBondContact CB-OH 3.3Å; S503-Y706 PolarHBondContact OG-OH 2.76Å
504P92.6Very high91.5Very high2 Ų223.4 Ų23.41%0.01311%0.113CC..THydrogen-bonded Turntrans-67.2-23.7-174.128.6-35.9000112.6E263 C266 E267 R506 A507 I508 E535 L536E263-P504 HydrophobicContact CB-CB 4.16Å; E263-P504 HydrophobicContact CB-CG 4.01Å; E263-P504 HydrophobicContact CG-CG 4.45Å; E263-P504 WeakPolarHBondContact O-CB 3.48Å; C266-P504 HydrophobicContact CB-CB 3.48Å; C266-P504 VanDerWaalsContact CB-CB 3.48Å; C266-P504 WeakPolarHBondContact CB-O 3.33Å; E267-P504 HydrophobicContact CG-CB 4.21Å; P504-R506 PolarHBondContact O-N 3.42Å; P504-A507 PolarHBondContact O-N 2.72Å; P504-I508 PolarHBondContact O-N 3.48Å; P504-E535 HydrophobicContact CG-CB 4.04Å; P504-E535 WeakPolarHBondContact CG-O 3.46Å; P504-L536 HydrophobicContact CB-CD2 3.84Å; P504-L536 HydrophobicContact CG-CD2 4.07Å
505G90.7Very high91.7Very high4 Ų427.2 Ų27.24%0.04113%0.133CC..Hα-helixtrans-55.8-14168.900000115.2S503 Q509 E535 L536S503-G505 PolarHBondContact O-N 3.11Å; G505-Q509 VanDerWaalsContact O-CB 3.24Å; G505-Q509 WeakPolarHBondContact O-CB 3.32Å; G505-Q509 PolarHBondContact O-N 2.84Å; G505-E535 PolarHBondContact N-O 3.21Å; G505-L536 WeakPolarHBondContact CA-O 3.37Å
506R87Confident91.6Very high18 Ų1826.6 Ų26.67%0.06813%0.133CC..Hα-helixtrans-68.1-48.9173.6-68.2-71.2164.4177.2-2.5112.7D455 S456 C459 S503 P504 I508 Q509 Q510D455-R506 PolarHBondContact O-NH2 2.98Å; S456-R506 VanDerWaalsContact CA-NH2 3.26Å; S456-R506 PolarHBondContact OG-NH1 2.86Å; C459-R506 PolarHBondContact SG-NE 2.76Å; C459-R506 PolarHBondContact SG-NH2 3.03Å; C459-R506 VanDerWaalsContact SG-NH2 3.41Å; S503-R506 WeakPolarHBondContact O-CB 3.43Å; S503-R506 WeakPolarHBondContact O-CG 3.38Å; S503-R506 PolarHBondContact O-N 3.42Å; P504-R506 PolarHBondContact O-N 3.42Å; R506-I508 VanDerWaalsContact C-N 3.32Å; R506-I508 PolarHBondContact O-N 3.18Å; R506-Q509 PolarHBondContact O-N 3.38Å; R506-Q510 PolarHBondContact O-N 3.14Å; R506-Q510 VanDerWaalsContact O-N 3.09Å
507A89.6Confident91.6Very high0 Ų028.1 Ų28.10%014%0.136CC..Hα-helixtrans-65.3-38.1175.400000111.1L237 C266 P504 Q510 L511L237-A507 HydrophobicContact CD2-CB 4.22Å; C266-A507 HydrophobicContact CB-CB 3.85Å; P504-A507 PolarHBondContact O-N 2.72Å; A507-Q510 WeakPolarHBondContact O-CB 3.03Å; A507-Q510 PolarHBondContact O-N 3.3Å; A507-L511 PolarHBondContact O-N 2.99Å; A507-L511 VanDerWaalsContact O-N 3.08Å
508I91.4Very high91.6Very high1 Ų127.8 Ų27.81%0.00514%0.135CC..Hα-helixtrans-65-41.2175.3-58-57.8000112L237 P504 R506 Q510 L511 I512 I519 L536 L538L237-I508 HydrophobicContact CD2-CD1 4.41Å; P504-I508 PolarHBondContact O-N 3.48Å; R506-I508 VanDerWaalsContact C-N 3.32Å; R506-I508 PolarHBondContact O-N 3.18Å; I508-Q510 VanDerWaalsContact C-N 3.29Å; I508-Q510 PolarHBondContact O-N 3.12Å; I508-L511 HydrophobicContact CD1-CD1 4.26Å; I508-L511 WeakPolarHBondContact O-CB 3.39Å; I508-L511 PolarHBondContact O-N 2.04Å; I508-L511 VanDerWaalsContact O-N 3.11Å; I508-I512 HydrophobicContact CG2-CD1 3.99Å; I508-I512 WeakPolarHBondContact O-CG1 3.26Å; I508-I512 PolarHBondContact O-N 3.19Å; I508-I519 HydrophobicContact CG2-CD1 4.43Å; I508-L536 HydrophobicContact CD1-CD2 4.5Å; I508-L536 HydrophobicContact CG1-CB 4.37Å; I508-L536 HydrophobicContact CG1-CD2 3.98Å; I508-L538 HydrophobicContact CG2-CB 4.07Å; I508-L538 HydrophobicContact CG2-CD2 3.67Å; I508-L538 HydrophobicContact CG2-CG 4.38Å
509Q85.9Confident91.6Very high37 Ų3727.5 Ų27.517%0.17313%0.132CC..Hα-helixtrans-61.2-39174.4-174176.31000111.4G505 R506 L511 I512 Q513G505-Q509 VanDerWaalsContact O-CB 3.24Å; G505-Q509 WeakPolarHBondContact O-CB 3.32Å; G505-Q509 PolarHBondContact O-N 2.84Å; R506-Q509 PolarHBondContact O-N 3.38Å; Q509-L511 PolarHBondContact O-N 3.19Å; Q509-I512 PolarHBondContact O-N 3.11Å; Q509-Q513 VanDerWaalsContact O-CG 3.29Å; Q509-Q513 WeakPolarHBondContact O-CG 3.4Å; Q509-Q513 PolarHBondContact O-N 2.78Å
510Q85.5Confident91.6Very high31 Ų3127.2 Ų27.215%0.14513%0.131CC..Hα-helixtrans-63.4-35.8172.7-74.4-177-31.600113P239 Y434 R506 A507 I508 Q513 Q514P239-Q510 VanDerWaalsContact CG-OE1 3.24Å; Y434-Q510 HydrophobicContact CE1-CG 4.48Å; R506-Q510 PolarHBondContact O-N 3.14Å; R506-Q510 VanDerWaalsContact O-N 3.09Å; A507-Q510 WeakPolarHBondContact O-CB 3.03Å; A507-Q510 PolarHBondContact O-N 3.3Å; I508-Q510 VanDerWaalsContact C-N 3.29Å; I508-Q510 PolarHBondContact O-N 3.12Å; Q510-Q513 PolarHBondContact O-N 3.34Å; Q510-Q514 WeakPolarHBondContact O-CG 3.27Å
511L90.2Very high91.7Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-64.5-45.1172.7-62.2-178.2000111.4V236 L237 L249 F256 A507 I508 Q509 Q513 Q514 V516 I519V236-L511 HydrophobicContact CG1-CD1 4.48Å; V236-L511 HydrophobicContact CG1-CD2 4.07Å; V236-L511 WeakPolarHBondContact O-CD2 3.32Å; L237-L511 HydrophobicContact CD2-CD1 3.97Å; L249-L511 HydrophobicContact CD1-CD2 3.61Å; F256-L511 HydrophobicContact CE2-CD1 4.17Å; F256-L511 HydrophobicContact CZ-CD1 4.03Å; A507-L511 PolarHBondContact O-N 2.99Å; A507-L511 VanDerWaalsContact O-N 3.08Å; I508-L511 HydrophobicContact CD1-CD1 4.26Å; I508-L511 WeakPolarHBondContact O-CB 3.39Å; I508-L511 PolarHBondContact O-N 2.04Å; I508-L511 VanDerWaalsContact O-N 3.11Å; Q509-L511 PolarHBondContact O-N 3.19Å; L511-Q513 VanDerWaalsContact C-N 3.27Å; L511-Q513 PolarHBondContact O-N 3.18Å; L511-Q514 WeakPolarHBondContact O-CB 3.28Å; L511-Q514 PolarHBondContact O-N 3.29Å; L511-V516 HydrophobicContact CB-CG1 4.43Å; L511-V516 HydrophobicContact CB-CG2 4.46Å; L511-V516 WeakPolarHBondContact O-CG2 3.27Å; L511-I519 HydrophobicContact CB-CD1 4.38Å; L511-I519 HydrophobicContact CD1-CD1 4.05Å
512I89.6Confident91.6Very high50 Ų5025.7 Ų25.726%0.25613%0.126SC..Hα-helixtrans-61.3-37.5178.8-65.9161.2000111F449 I508 Q509 Q514 N515 L538F449-I512 HydrophobicContact CE1-CD1 4.31Å; F449-I512 HydrophobicContact CE2-CD1 4.4Å; F449-I512 HydrophobicContact CZ-CD1 3.94Å; I508-I512 HydrophobicContact CG2-CD1 3.99Å; I508-I512 WeakPolarHBondContact O-CG1 3.26Å; I508-I512 PolarHBondContact O-N 3.19Å; Q509-I512 PolarHBondContact O-N 3.11Å; I512-Q514 PolarHBondContact O-N 2.81Å; I512-Q514 VanDerWaalsContact O-N 3.13Å; I512-N515 PolarHBondContact O-N 3.04Å; I512-N515 VanDerWaalsContact O-N 3.12Å; I512-L538 HydrophobicContact CD1-CD1 4.11Å
513Q87.3Confident91.3Very high121 Ų12125.7 Ų25.757%0.56513%0.126SC*.THydrogen-bonded Turntrans-66.8-3.1173-73170.4-30.400114.6Q509 Q510 L511Q509-Q513 VanDerWaalsContact O-CG 3.29Å; Q509-Q513 WeakPolarHBondContact O-CG 3.4Å; Q509-Q513 PolarHBondContact O-N 2.78Å; Q510-Q513 PolarHBondContact O-N 3.34Å; L511-Q513 VanDerWaalsContact C-N 3.27Å; L511-Q513 PolarHBondContact O-N 3.18Å
514Q88.2Confident90.8Very high85 Ų8525.3 Ų25.340%0.39712%0.123SC..THydrogen-bonded Turntrans-105.816.7172.5-55.2-72.7-106.100112.4L249 E250 Q510 L511 I512 V516L249-Q514 CarbonylContact C-O 3.53Å; L249-Q514 HydrophobicContact CB-CB 3.87Å; L249-Q514 HydrophobicContact CD1-CB 4.31Å; L249-Q514 HydrophobicContact CD1-CG 4.48Å; E250-Q514 WeakPolarHBondContact CA-O 3.37Å; E250-Q514 PolarHBondContact N-O 3.39Å; Q510-Q514 WeakPolarHBondContact O-CG 3.27Å; L511-Q514 WeakPolarHBondContact O-CB 3.28Å; L511-Q514 PolarHBondContact O-N 3.29Å; I512-Q514 PolarHBondContact O-N 2.81Å; I512-Q514 VanDerWaalsContact O-N 3.13Å; Q514-V516 VanDerWaalsContact C-N 3.28Å; Q514-V516 PolarHBondContact O-N 3.33Å
515N90.2Very high90.2Very high106 Ų10625.8 Ų25.857%0.56713%0.126SC*.THydrogen-bonded Turntrans55.239.1-179.9-60.3-26.7000113.5E250 N251 I512 R517E250-N515 HydrophobicContact CG-CB 4.33Å; N251-N515 PolarHBondContact N-O 2.99Å; I512-N515 PolarHBondContact O-N 3.04Å; I512-N515 VanDerWaalsContact O-N 3.12Å; N515-R517 PolarHBondContact O-N 3.46Å
516V93Very high89.7Confident17 Ų1725.6 Ų25.610%0.10312%0.124CC..  trans-56.2137.9168.2-71.40000110.3L249 V254 L511 Q514 I519L249-V516 HydrophobicContact CB-CG1 3.78Å; L249-V516 HydrophobicContact CD1-CG1 4.12Å; L249-V516 HydrophobicContact CG-CG1 4.45Å; L249-V516 WeakPolarHBondContact O-CA 3.29Å; V254-V516 HydrophobicContact CG2-CG1 4.05Å; L511-V516 HydrophobicContact CB-CG1 4.43Å; L511-V516 HydrophobicContact CB-CG2 4.46Å; L511-V516 WeakPolarHBondContact O-CG2 3.27Å; Q514-V516 VanDerWaalsContact C-N 3.28Å; Q514-V516 PolarHBondContact O-N 3.33Å; V516-I519 HydrophobicContact CG2-CD1 4.33Å; V516-I519 HydrophobicContact CG2-CG1 4.31Å
517R93.5Very high89.2Confident52 Ų5227.2 Ų27.220%0.19613%0.131CC..SBendtrans-71.7-51.5-176.9-174.5174.4179.7-87.5-5.5111.6L32 N33 G35 C110 N251 T252 N515L32-R517 PolarHBondContact O-NH1 2.96Å; L32-R517 PolarHBondContact O-NH2 3.04Å; N33-R517 PolarHBondContact O-NH2 3.04Å; G35-R517 VanDerWaalsContact O-O 3.06Å; C110-R517 VanDerWaalsContact SG-CD 3.59Å; N251-R517 WeakPolarHBondContact OD1-CD 3.21Å; T252-R517 PolarHBondContact O-N 3.19Å; N515-R517 PolarHBondContact O-N 3.46Å
518C95.2Very high88.8Confident0 Ų028.7 Ų28.70%014%0.14CC..EExtended strand (participates in β ladder)trans-156.9168.2168.857.40000111.1K36 T253 V254K36-C518 WeakPolarHBondContact O-CB 2.83Å; T253-C518 WeakPolarHBondContact CG2-SG 3.18Å; V254-C518 PolarHBondContact N-O 3.35Å
519I96.9Very high88.6Confident1 Ų129.1 Ų29.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-125125.1177.5-58.3175.2000107.9H37 A38 V254 F256 I508 L511 V516 L521 L538H37-I519 CarbonylContact C-O 3.45Å; H37-I519 WeakPolarHBondContact CA-O 3.38Å; H37-I519 WeakPolarHBondContact CB-O 3.19Å; H37-I519 PolarHBondContact ND1-N 3.36Å; H37-I519 VanDerWaalsContact ND1-N 3.11Å; A38-I519 PolarHBondContact N-O 3.49Å; V254-I519 CarbonylContact O-C 3.5Å; V254-I519 VanDerWaalsContact O-CA 3.29Å; V254-I519 WeakPolarHBondContact O-CA 3.33Å; F256-I519 HydrophobicContact CD2-CG2 3.83Å; F256-I519 HydrophobicContact CE2-CG2 3.88Å; I508-I519 HydrophobicContact CG2-CD1 4.43Å; L511-I519 HydrophobicContact CB-CD1 4.38Å; L511-I519 HydrophobicContact CD1-CD1 4.05Å; V516-I519 HydrophobicContact CG2-CD1 4.33Å; V516-I519 HydrophobicContact CG2-CG1 4.31Å; I519-L521 HydrophobicContact CG2-CD2 4.1Å; I519-L538 HydrophobicContact CB-CD2 4.46Å; I519-L538 HydrophobicContact CD1-CD2 4.02Å
520I97.6Very high88.6Confident0 Ų030.1 Ų30.10%015%0.148CC..EExtended strand (participates in β ladder)trans-110.8118.5176.3-56.4-177.1000108.1S31 A38 L40 T253 V254 I255 F256S31-I520 WeakPolarHBondContact OG-CD1 3.42Å; S31-I520 WeakPolarHBondContact OG-CG1 3.28Å; A38-I520 HydrophobicContact CB-CG1 4.32Å; A38-I520 HydrophobicContact CB-CG2 4.36Å; A38-I520 CarbonylContact O-C 3.56Å; A38-I520 WeakPolarHBondContact O-CA 3.43Å; L40-I520 HydrophobicContact CD1-CG2 3.83Å; L40-I520 HydrophobicContact CG-CG2 4.29Å; T253-I520 HydrophobicContact CG2-CD1 4.28Å; T253-I520 HydrophobicContact CG2-CG1 4.45Å; V254-I520 PolarHBondContact O-N 2.93Å; I255-I520 CarbonylContact C-O 3.59Å; I255-I520 WeakPolarHBondContact CA-O 2.95Å; I255-I520 HydrophobicContact CB-CB 4.5Å; I255-I520 HydrophobicContact CG1-CB 4.24Å; I255-I520 HydrophobicContact CG1-CD1 4.34Å; I255-I520 HydrophobicContact CG2-CB 4.22Å; I255-I520 HydrophobicContact CG2-CG2 4.32Å; F256-I520 PolarHBondContact N-O 3.15Å
521L96.7Very high88.8Confident1 Ų129.4 Ų29.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-97.7134.1170.6-58.5-173000109.7A38 I39 L40 F256 A259 I262 I519 I532 L536 F540A38-L521 PolarHBondContact O-N 3.36Å; I39-L521 HydrophobicContact CD1-CD1 4.28Å; I39-L521 HydrophobicContact CG1-CB 4.21Å; L40-L521 PolarHBondContact N-O 2.76Å; F256-L521 HydrophobicContact CB-CD2 3.81Å; F256-L521 HydrophobicContact CD2-CD2 3.7Å; F256-L521 HydrophobicContact CG-CD2 4.11Å; A259-L521 HydrophobicContact CB-CB 4.17Å; A259-L521 HydrophobicContact CB-CD2 4.26Å; I262-L521 HydrophobicContact CG1-CD2 4.39Å; I262-L521 HydrophobicContact CG2-CD1 4.4Å; I519-L521 HydrophobicContact CG2-CD2 4.1Å; L521-I532 HydrophobicContact CD1-CG2 4.38Å; L521-L536 HydrophobicContact CD1-CD1 3.61Å; L521-F540 HydrophobicContact CD1-CE1 4.04Å; L521-F540 HydrophobicContact CD1-CE2 3.99Å; L521-F540 HydrophobicContact CD1-CZ 3.42Å; L521-F540 VanDerWaalsContact CD1-CZ 3.42Å; L521-F540 HydrophobicContact CG-CE1 3.94Å; L521-F540 HydrophobicContact CG-CZ 3.83Å
522T94.2Very high88.8Confident0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-142.1145.5169.3-173.60000113.4Y24 L40 L52 F256 D257 E258 A259Y24-T522 WeakPolarHBondContact OH-CB 3.24Å; Y24-T522 PolarHBondContact OH-OG1 3.17Å; L40-T522 WeakPolarHBondContact O-CA 3.5Å; L40-T522 WeakPolarHBondContact O-CB 3.41Å; L40-T522 PolarHBondContact O-OG1 2.87Å; L52-T522 HydrophobicContact CD2-CG2 4Å; F256-T522 PolarHBondContact O-N 3.4Å; D257-T522 HydrophobicContact CB-CG2 4.1Å; E258-T522 WeakPolarHBondContact CA-O 3.39Å; E258-T522 PolarHBondContact N-O 3.28Å; A259-T522 PolarHBondContact N-O 3.43Å
523S89.2Confident88.9Confident0 Ų028.8 Ų28.80%014%0.142CC..EExtended strand (participates in β ladder)trans-169.1162.7167.2178.60000109.1S42 E258 H260 T525S42-S523 PolarHBondContact N-O 2.97Å; E258-S523 PolarHBondContact OE2-OG 3.09Å; H260-S523 PolarHBondContact ND1-OG 3.01Å; S523-T525 VanDerWaalsContact C-N 3.26Å; S523-T525 PolarHBondContact O-N 3.1Å; S523-T525 PolarHBondContact OG-N 3.49Å; S523-T525 PolarHBondContact OG-OG1 3.19Å
524G81.6Confident89Confident5 Ų523.4 Ų23.45%0.05212%0.118CC..THydrogen-bonded Turntrans-83.99.2172.400000115.5S42S42-G524 WeakPolarHBondContact O-CA 3.41Å
525T80.2Confident89.2Confident12 Ų1219.6 Ų19.67%0.07410%0.1CC..THydrogen-bonded Turntrans-142.729.9-177.453.80000113.2H260 S523 Y527 N747 Q748H260-T525 VanDerWaalsContact CB-OG1 3.31Å; H260-T525 WeakPolarHBondContact CB-OG1 3.19Å; H260-T525 PolarHBondContact ND1-OG1 3.16Å; H260-T525 VanDerWaalsContact ND1-OG1 3.09Å; S523-T525 VanDerWaalsContact C-N 3.26Å; S523-T525 PolarHBondContact O-N 3.1Å; S523-T525 PolarHBondContact OG-N 3.49Å; S523-T525 PolarHBondContact OG-OG1 3.19Å; T525-Y527 VanDerWaalsContact C-N 3.25Å; T525-Y527 PolarHBondContact O-N 3.06Å; T525-N747 HydrophobicContact CG2-CB 4.02Å; T525-Q748 HydrophobicContact CG2-CG 4.23Å
526L81Confident89.2Confident0 Ų014.6 Ų14.60%07%0.073CC..  trans-74.3-9.9176.9-60.5-178.6000113.9I39 E41 A259 H260 P528 V529 I532I39-L526 HydrophobicContact CD1-CD1 4.28Å; I39-L526 HydrophobicContact CG1-CD1 3.76Å; E41-L526 HydrophobicContact CB-CB 4.25Å; E41-L526 HydrophobicContact CG-CB 3.85Å; A259-L526 HydrophobicContact CB-CD2 4.18Å; H260-L526 HydrophobicContact CB-CD2 4.17Å; L526-P528 CarbonylContact O-C 3.54Å; L526-V529 HydrophobicContact CB-CG1 3.91Å; L526-V529 WeakPolarHBondContact O-CA 3.49Å; L526-V529 WeakPolarHBondContact O-CG1 3.32Å; L526-V529 PolarHBondContact O-N 3.19Å; L526-I532 HydrophobicContact CB-CD1 4.14Å; L526-I532 HydrophobicContact CD2-CD1 4.01Å; L526-I532 WeakPolarHBondContact O-CD1 3.43Å
527Y75.8Confident89Confident52 Ų5217.4 Ų17.420%0.2049%0.088CC..  trans-74.5138.7-175.5178-97.4000113.7T525T525-Y527 VanDerWaalsContact C-N 3.25Å; T525-Y527 PolarHBondContact O-N 3.06Å
528P81.9Confident88.9Confident31 Ų3115.1 Ų15.120%0.2018%0.08CC..SBendcis-64.1139.4-19.826.5-36.4000112.4L526 E530 P531 L740L526-P528 CarbonylContact O-C 3.54Å; P528-E530 WeakPolarHBondContact CA-OE2 3.43Å; P528-E530 VanDerWaalsContact CB-OE2 3.29Å; P528-E530 WeakPolarHBondContact CB-OE2 3.24Å; P528-P531 HydrophobicContact CG-CG 4.32Å; P528-P531 WeakPolarHBondContact O-CD 3.42Å; P528-L740 HydrophobicContact CG-CD1 4.1Å; P528-L740 HydrophobicContact CG-CD2 4.4Å
529V86.2Confident88.6Confident10 Ų1020.7 Ų20.76%0.06110%0.104CC..  trans-85-20.4-175.5-54.50000112.3I39 E41 L526 I532 E533I39-V529 HydrophobicContact CD1-CB 3.96Å; I39-V529 HydrophobicContact CD1-CG1 4.42Å; E41-V529 HydrophobicContact CB-CG1 4.4Å; L526-V529 HydrophobicContact CB-CG1 3.91Å; L526-V529 WeakPolarHBondContact O-CA 3.49Å; L526-V529 WeakPolarHBondContact O-CG1 3.32Å; L526-V529 PolarHBondContact O-N 3.19Å; V529-I532 WeakPolarHBondContact O-CA 3.42Å; V529-I532 VanDerWaalsContact O-CB 3.31Å; V529-I532 WeakPolarHBondContact O-CB 3.43Å; V529-I532 PolarHBondContact O-N 3.15Å; V529-E533 PolarHBondContact O-N 3.34Å; V529-E533 VanDerWaalsContact O-N 3.12Å
530E87.4Confident88.4Confident58 Ų5821 Ų2127%0.27111%0.105SC..Hα-helixtrans-66.6-38.9-170.9-60.179.1-178.100112.7P528 I532 A534 R545 K730P528-E530 WeakPolarHBondContact CA-OE2 3.43Å; P528-E530 VanDerWaalsContact CB-OE2 3.29Å; P528-E530 WeakPolarHBondContact CB-OE2 3.24Å; E530-I532 VanDerWaalsContact C-N 3.3Å; E530-I532 PolarHBondContact O-N 3.16Å; E530-A534 WeakPolarHBondContact O-CB 3.48Å; E530-A534 PolarHBondContact O-N 3.16Å; E530-R545 IonicContact OE1-CZ 3.61Å; E530-R545 IonicContact OE1-NH1 2.73Å; E530-R545 IonicContact OE1-NH2 3.2Å; E530-R545 PolarHBondContact OE1-NH2 2.91Å; E530-R545 IonicContact OE2-NH2 3.42Å; E530-K730 HydrophobicContact CB-CB 4.39Å; E530-K730 HydrophobicContact CB-CD 4.18Å; E530-K730 HydrophobicContact CB-CG 4.01Å
531P89.5Confident88.3Confident16 Ų1625.1 Ų25.110%0.10413%0.132CC..Hα-helixtrans-62.5-32.7167.6-2536.8000113.7P528 A534 E535 P732 L740P528-P531 HydrophobicContact CG-CG 4.32Å; P528-P531 WeakPolarHBondContact O-CD 3.42Å; P531-A534 PolarHBondContact O-N 3.3Å; P531-E535 WeakPolarHBondContact O-CB 3.15Å; P531-E535 WeakPolarHBondContact O-CG 3.43Å; P531-E535 PolarHBondContact O-N 3.1Å; P531-P732 HydrophobicContact CB-CB 4.35Å; P531-P732 HydrophobicContact CB-CG 4.05Å; P531-L740 HydrophobicContact CB-CD2 4.19Å; P531-L740 HydrophobicContact CG-CD2 4.09Å
532I90.6Very high88.3Confident0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-68.3-46.3-179.5-45.9-173000109.9I39 I262 E263 L521 L526 V529 E530 A534 E535 L536I39-I532 HydrophobicContact CD1-CB 4.49Å; I262-I532 HydrophobicContact CG2-CG2 4.16Å; E263-I532 HydrophobicContact CG-CG2 4.45Å; L521-I532 HydrophobicContact CD1-CG2 4.38Å; L526-I532 HydrophobicContact CB-CD1 4.14Å; L526-I532 HydrophobicContact CD2-CD1 4.01Å; L526-I532 WeakPolarHBondContact O-CD1 3.43Å; V529-I532 WeakPolarHBondContact O-CA 3.42Å; V529-I532 VanDerWaalsContact O-CB 3.31Å; V529-I532 WeakPolarHBondContact O-CB 3.43Å; V529-I532 PolarHBondContact O-N 3.15Å; E530-I532 VanDerWaalsContact C-N 3.3Å; E530-I532 PolarHBondContact O-N 3.16Å; I532-A534 VanDerWaalsContact C-N 3.25Å; I532-A534 PolarHBondContact O-N 3.46Å; I532-E535 PolarHBondContact O-N 3.01Å; I532-L536 HydrophobicContact CG2-CD1 3.78Å; I532-L536 HydrophobicContact CG2-CG 4.11Å; I532-L536 VanDerWaalsContact O-CB 3.29Å; I532-L536 WeakPolarHBondContact O-CB 3.23Å; I532-L536 VanDerWaalsContact O-CG 3.24Å; I532-L536 WeakPolarHBondContact O-CG 3.43Å; I532-L536 PolarHBondContact O-N 3.5Å
533E90.8Very high88.3Confident37 Ų3728.7 Ų28.717%0.17315%0.154CC..Hα-helixtrans-55.5-42.8172.9-169.6-177.4-158.600111.4V529 N537 L538 K539 F540 K730V529-E533 PolarHBondContact O-N 3.34Å; V529-E533 VanDerWaalsContact O-N 3.12Å; E533-N537 PolarHBondContact O-N 2.95Å; E533-L538 VanDerWaalsContact CG-O 3.24Å; E533-L538 WeakPolarHBondContact CG-O 3.27Å; E533-L538 PolarHBondContact O-N 2.78Å; E533-K539 WeakPolarHBondContact OE1-CA 3.47Å; E533-F540 HydrophobicContact CB-CD2 4.25Å; E533-F540 HydrophobicContact CG-CD2 4.06Å; E533-F540 PolarHBondContact OE1-N 3.11Å; E533-K730 IonicContact OE2-NZ 3.96Å; E533-K730 PolarHBondContact OE2-NZ 3.42Å
534A89Confident88.5Confident8 Ų829.3 Ų29.37%0.06616%0.157CC..Hα-helixtrans-71.5-44.1-177.900000113.6E530 P531 I532 N537 K730 Y731E530-A534 WeakPolarHBondContact O-CB 3.48Å; E530-A534 PolarHBondContact O-N 3.16Å; P531-A534 PolarHBondContact O-N 3.3Å; I532-A534 VanDerWaalsContact C-N 3.25Å; I532-A534 PolarHBondContact O-N 3.46Å; A534-N537 PolarHBondContact O-N 2.81Å; A534-K730 HydrophobicContact CB-CB 4.28Å; A534-Y731 HydrophobicContact CB-CD2 3.85Å; A534-Y731 HydrophobicContact CB-CG 4.43Å
535E92.2Very high88.9Confident5 Ų534.5 Ų34.52%0.02318%0.175CC..Hα-helixtrans-74.7-38.4-179.5-72.5-167.3-110.200112.9P504 G505 P531 I532 N537 K703 L707 P732 W737P504-E535 HydrophobicContact CG-CB 4.04Å; P504-E535 WeakPolarHBondContact CG-O 3.46Å; G505-E535 PolarHBondContact N-O 3.21Å; P531-E535 WeakPolarHBondContact O-CB 3.15Å; P531-E535 WeakPolarHBondContact O-CG 3.43Å; P531-E535 PolarHBondContact O-N 3.1Å; I532-E535 PolarHBondContact O-N 3.01Å; E535-N537 PolarHBondContact O-N 3.33Å; E535-K703 VanDerWaalsContact OE2-CE 3.27Å; E535-K703 WeakPolarHBondContact OE2-CE 3.46Å; E535-K703 IonicContact OE2-NZ 2.6Å; E535-K703 PolarHBondContact OE2-NZ 3.35Å; E535-L707 HydrophobicContact CG-CD2 4.19Å; E535-P732 HydrophobicContact CG-CG 3.97Å; E535-W737 VanDerWaalsContact OE1-CD1 3.29Å
536L91.8Very high89.2Confident1 Ų134.4 Ų34.41%0.00517%0.174CC..THydrogen-bonded Turntrans-69.9-12.4172-62.5-175.6000112.6I262 E263 P504 G505 I508 L521 I532 L538 F540I262-L536 HydrophobicContact CG2-CD1 4.08Å; I262-L536 HydrophobicContact CG2-CD2 4.41Å; E263-L536 HydrophobicContact CG-CD2 4.3Å; P504-L536 HydrophobicContact CB-CD2 3.84Å; P504-L536 HydrophobicContact CG-CD2 4.07Å; G505-L536 WeakPolarHBondContact CA-O 3.37Å; I508-L536 HydrophobicContact CD1-CD2 4.5Å; I508-L536 HydrophobicContact CG1-CB 4.37Å; I508-L536 HydrophobicContact CG1-CD2 3.98Å; L521-L536 HydrophobicContact CD1-CD1 3.61Å; I532-L536 HydrophobicContact CG2-CD1 3.78Å; I532-L536 HydrophobicContact CG2-CG 4.11Å; I532-L536 VanDerWaalsContact O-CB 3.29Å; I532-L536 WeakPolarHBondContact O-CB 3.23Å; I532-L536 VanDerWaalsContact O-CG 3.24Å; I532-L536 WeakPolarHBondContact O-CG 3.43Å; I532-L536 PolarHBondContact O-N 3.5Å; L536-L538 HydrophobicContact CB-CB 4.32Å; L536-L538 PolarHBondContact O-N 3.34Å; L536-L538 VanDerWaalsContact O-N 3.16Å; L536-F540 HydrophobicContact CD1-CE2 4.36Å; L536-F540 HydrophobicContact CD1-CZ 4.29Å
537N88.3Confident89.4Confident76 Ų7638.3 Ų38.341%0.40620%0.2SC..THydrogen-bonded Turntrans54.227.5-175.1-169.938.6000112.8F449 E533 A534 E535F449-N537 WeakPolarHBondContact CE1-O 3.37Å; F449-N537 WeakPolarHBondContact CZ-O 3.48Å; E533-N537 PolarHBondContact O-N 2.95Å; A534-N537 PolarHBondContact O-N 2.81Å; E535-N537 PolarHBondContact O-N 3.33Å
538L90.1Very high89.7Confident4 Ų436.9 Ų36.92%0.02119%0.194CC..  trans-123.1120.7-173.4176.558.3000109.8F449 I508 I512 I519 E533 L536 F540F449-L538 HydrophobicContact CZ-CD1 4.25Å; I508-L538 HydrophobicContact CG2-CB 4.07Å; I508-L538 HydrophobicContact CG2-CD2 3.67Å; I508-L538 HydrophobicContact CG2-CG 4.38Å; I512-L538 HydrophobicContact CD1-CD1 4.11Å; I519-L538 HydrophobicContact CB-CD2 4.46Å; I519-L538 HydrophobicContact CD1-CD2 4.02Å; E533-L538 VanDerWaalsContact CG-O 3.24Å; E533-L538 WeakPolarHBondContact CG-O 3.27Å; E533-L538 PolarHBondContact O-N 2.78Å; L536-L538 HydrophobicContact CB-CB 4.32Å; L536-L538 PolarHBondContact O-N 3.34Å; L536-L538 VanDerWaalsContact O-N 3.16Å; L538-F540 HydrophobicContact CB-CE2 4.37Å; L538-F540 HydrophobicContact CB-CZ 4.35Å; L538-F540 HydrophobicContact CD2-CE1 3.99Å; L538-F540 HydrophobicContact CD2-CZ 3.76Å; L538-F540 HydrophobicContact CG-CE1 4.3Å; L538-F540 HydrophobicContact CG-CE2 4.33Å; L538-F540 HydrophobicContact CG-CZ 3.98Å; L538-F540 VanDerWaalsContact O-CD2 3.29Å; L538-F540 WeakPolarHBondContact O-CD2 3.13Å; L538-F540 VanDerWaalsContact O-CE2 3.28Å; L538-F540 WeakPolarHBondContact O-CE2 3.36Å
539K89.6Confident89.7Confident118 Ų11836.5 Ų36.551%0.51319%0.192SC..  trans-73.6133.5177.5-66.4-168.1175.2-168.80111.7E533 P541E533-K539 WeakPolarHBondContact OE1-CA 3.47Å; K539-P541 VanDerWaalsContact O-CD 3.24Å; K539-P541 WeakPolarHBondContact O-CD 3.27Å
540F93.4Very high89.8Confident6 Ų637 Ų373%0.02619%0.194CC..  trans-110.787.6173.6-63.6-77.5000109.5H37 A38 I39 L521 E533 L536 L538 I542 T543H37-F540 HydrophobicContact CB-CD1 3.68Å; H37-F540 HydrophobicContact CB-CE1 3.95Å; A38-F540 VanDerWaalsContact C-CD1 3.46Å; A38-F540 WeakPolarHBondContact O-CD1 3.4Å; I39-F540 HydrophobicContact CB-CB 3.95Å; I39-F540 HydrophobicContact CB-CD1 4.07Å; I39-F540 HydrophobicContact CB-CD2 4.18Å; I39-F540 HydrophobicContact CB-CG 3.79Å; I39-F540 HydrophobicContact CD1-CD2 4.28Å; I39-F540 HydrophobicContact CD1-CE2 4.44Å; I39-F540 HydrophobicContact CG2-CB 3.54Å; I39-F540 HydrophobicContact CG2-CD2 4.31Å; I39-F540 HydrophobicContact CG2-CG 3.92Å; L521-F540 HydrophobicContact CD1-CE1 4.04Å; L521-F540 HydrophobicContact CD1-CE2 3.99Å; L521-F540 HydrophobicContact CD1-CZ 3.42Å; L521-F540 VanDerWaalsContact CD1-CZ 3.42Å; L521-F540 HydrophobicContact CG-CE1 3.94Å; L521-F540 HydrophobicContact CG-CZ 3.83Å; E533-F540 HydrophobicContact CB-CD2 4.25Å; E533-F540 HydrophobicContact CG-CD2 4.06Å; E533-F540 PolarHBondContact OE1-N 3.11Å; L536-F540 HydrophobicContact CD1-CE2 4.36Å; L536-F540 HydrophobicContact CD1-CZ 4.29Å; L538-F540 HydrophobicContact CB-CE2 4.37Å; L538-F540 HydrophobicContact CB-CZ 4.35Å; L538-F540 HydrophobicContact CD2-CE1 3.99Å; L538-F540 HydrophobicContact CD2-CZ 3.76Å; L538-F540 HydrophobicContact CG-CE1 4.3Å; L538-F540 HydrophobicContact CG-CE2 4.33Å; L538-F540 HydrophobicContact CG-CZ 3.98Å; L538-F540 VanDerWaalsContact O-CD2 3.29Å; L538-F540 WeakPolarHBondContact O-CD2 3.13Å; L538-F540 VanDerWaalsContact O-CE2 3.28Å; L538-F540 WeakPolarHBondContact O-CE2 3.36Å; F540-I542 PolarHBondContact O-N 3.18Å; F540-T543 PolarHBondContact O-OG1 3.31Å
541P94.8Very high89.8Confident87 Ų8738.2 Ų38.257%0.56520%0.202SC*.SBendtrans-66.5-16.5179.928.7-38000113.4K36 H37 K539K36-P541 HydrophobicContact CB-CG 3.89Å; K36-P541 HydrophobicContact CD-CG 4.04Å; K36-P541 HydrophobicContact CG-CG 4.41Å; H37-P541 WeakPolarHBondContact O-CD 3.45Å; K539-P541 VanDerWaalsContact O-CD 3.24Å; K539-P541 WeakPolarHBondContact O-CD 3.27Å
542I96.5Very high89.6Confident8 Ų841.6 Ų41.64%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-110.1114.8174.8-62.2168.9000108K27 L30 S31 K36 A38 I39 F540K27-I542 HydrophobicContact CB-CG2 4.19Å; K27-I542 HydrophobicContact CD-CG2 4.35Å; L30-I542 HydrophobicContact CB-CD1 4.32Å; L30-I542 HydrophobicContact CD2-CD1 4.13Å; L30-I542 HydrophobicContact CD2-CG1 4.09Å; L30-I542 HydrophobicContact CD2-CG2 4.42Å; L30-I542 HydrophobicContact CG-CD1 3.83Å; L30-I542 HydrophobicContact CG-CG1 4.35Å; S31-I542 VanDerWaalsContact CA-CD1 3.44Å; K36-I542 HydrophobicContact CB-CD1 4Å; A38-I542 CarbonylContact C-O 3.47Å; A38-I542 WeakPolarHBondContact CA-O 3.35Å; A38-I542 HydrophobicContact CB-CB 3.83Å; A38-I542 HydrophobicContact CB-CG2 3.81Å; I39-I542 PolarHBondContact N-O 3.06Å; F540-I542 PolarHBondContact O-N 3.18Å
543T94.7Very high89.6Confident69 Ų6944.6 Ų44.642%0.42324%0.24SC..EExtended strand (participates in β ladder)trans-125.3143-178.6-61.20000110.2I39 F540I39-T543 HydrophobicContact CG2-CG2 4.08Å; I39-T543 WeakPolarHBondContact O-CA 3.39Å; F540-T543 PolarHBondContact O-OG1 3.31Å
544L92.9Very high89.7Confident13 Ų1342.8 Ų42.87%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-135.1146.3168.8-170.660.9000110.4E23 Y24 K27 I39 L40 E41 N546E23-L544 HydrophobicContact CB-CD1 4.38Å; Y24-L544 VanDerWaalsContact CA-CD2 3.49Å; Y24-L544 HydrophobicContact CD2-CD2 3.84Å; Y24-L544 HydrophobicContact CG-CD2 4.18Å; K27-L544 HydrophobicContact CB-CD2 4.35Å; K27-L544 HydrophobicContact CG-CB 4.16Å; K27-L544 HydrophobicContact CG-CD1 4.07Å; K27-L544 HydrophobicContact CG-CD2 4.1Å; K27-L544 HydrophobicContact CG-CG 4.35Å; I39-L544 PolarHBondContact O-N 2.88Å; L40-L544 HydrophobicContact CB-CB 4.49Å; L40-L544 HydrophobicContact CD2-CB 3.61Å; L40-L544 HydrophobicContact CD2-CD2 4.4Å; E41-L544 PolarHBondContact N-O 3.07Å; L544-N546 WeakPolarHBondContact CD1-OD1 3.16Å; L544-N546 WeakPolarHBondContact CD2-OD1 3.41Å; L544-N546 WeakPolarHBondContact CG-OD1 3.39Å
545R89.8Confident89.9Confident114 Ų11442.9 Ų42.943%0.4323%0.231SC..EExtended strand (participates in β ladder)trans-145.885.3174.5-174.4179.7-64.5168.52.4107.9E41 E530E41-R545 WeakPolarHBondContact O-CA 3.4Å; E530-R545 IonicContact OE1-CZ 3.61Å; E530-R545 IonicContact OE1-NH1 2.73Å; E530-R545 IonicContact OE1-NH2 3.2Å; E530-R545 PolarHBondContact OE1-NH2 2.91Å; E530-R545 IonicContact OE2-NH2 3.42Å
546N87.3Confident90Very high9 Ų943.3 Ų43.35%0.04823%0.233CC..PPolyproline II helixtrans-70.1147.8-172.7-84.3-12.5000112.5C20 E41 S42 P43 L544C20-N546 HydrophobicContact CB-CB 4.13Å; C20-N546 PolarHBondContact O-ND2 3.04Å; E41-N546 PolarHBondContact O-N 3.17Å; S42-N546 WeakPolarHBondContact OG-CB 3.42Å; S42-N546 PolarHBondContact OG-ND2 3.03Å; P43-N546 WeakPolarHBondContact CD-O 3.46Å; L544-N546 WeakPolarHBondContact CD1-OD1 3.16Å; L544-N546 WeakPolarHBondContact CD2-OD1 3.41Å; L544-N546 WeakPolarHBondContact CG-OD1 3.39Å
547P84Confident90.1Very high83 Ų8343.2 Ų43.254%0.53923%0.233SC..PPolyproline II helixtrans-66.2161.7163.131.3-35.2000111.1C20C20-P547 HydrophobicContact CB-CG 4.37Å
548H82.8Confident90.5Very high21 Ų2139.6 Ų39.610%0.09721%0.214CC..PPolyproline II helixtrans-74.7145.1172-155.7-58.9000110.8P43 T44 I550 I754 W782P43-H548 HydrophobicContact CB-CB 4.32Å; P43-H548 WeakPolarHBondContact CB-CD2 3.36Å; P43-H548 HydrophobicContact CG-CB 4.2Å; T44-H548 PolarHBondContact O-CE1 3.3Å; T44-H548 PolarHBondContact O-NE2 2.91Å; H548-I550 HydrophobicContact CB-CG1 4.41Å; H548-I550 PolarHBondContact ND1-N 3.34Å; H548-I550 PolarHBondContact O-N 3.29Å; H548-I550 VanDerWaalsContact O-N 3.14Å; H548-I754 VanDerWaalsContact CE1-CG2 3.42Å; H548-I754 WeakPolarHBondContact CE1-CG2 3.34Å; H548-W782 HydrophobicContact CB-CB 3.73Å; H548-W782 HydrophobicContact CB-CD2 4.29Å; H548-W782 HydrophobicContact CB-CE3 4.46Å; H548-W782 HydrophobicContact CB-CG 3.99Å; H548-W782 AromaticContact CD2-CD2 3.42Å; H548-W782 VanDerWaalsContact CD2-CD2 3.42Å; H548-W782 AromaticContact CD2-CE2 3.61Å; H548-W782 AromaticContact CD2-CE3 3.61Å; H548-W782 AromaticContact CD2-CG 3.82Å; H548-W782 AromaticContact CD2-CZ3 3.98Å
549V82.8Confident90.9Very high24 Ų2439.4 Ų39.415%0.14521%0.213CC..SBendtrans-74.79.2-179.8750000114.9Y18 T46 Y757Y18-V549 HydrophobicContact CD1-CG2 4.32Å; Y18-V549 HydrophobicContact CD2-CG2 3.44Å; Y18-V549 VanDerWaalsContact CD2-CG2 3.44Å; Y18-V549 HydrophobicContact CE2-CG2 3.75Å; Y18-V549 HydrophobicContact CG-CG2 3.78Å; T46-V549 HydrophobicContact CG2-CB 4.31Å; T46-V549 HydrophobicContact CG2-CG1 4.47Å; V549-Y757 WeakPolarHBondContact O-CA 3.09Å; V549-Y757 WeakPolarHBondContact O-CB 3.21Å
550I86.7Confident91.2Very high21 Ų2133.9 Ų33.911%0.10819%0.189CC..SBendtrans-108.8152.3178.764.1170.9000111H548 Q554 L555 I754 W782H548-I550 HydrophobicContact CB-CG1 4.41Å; H548-I550 PolarHBondContact ND1-N 3.34Å; H548-I550 PolarHBondContact O-N 3.29Å; H548-I550 VanDerWaalsContact O-N 3.14Å; I550-Q554 HydrophobicContact CB-CB 4.08Å; I550-Q554 HydrophobicContact CD1-CB 4Å; I550-Q554 HydrophobicContact CG1-CB 4.47Å; I550-L555 HydrophobicContact CD1-CB 4.15Å; I550-I754 HydrophobicContact CD1-CD1 4.11Å; I550-I754 HydrophobicContact CD1-CG1 4.07Å; I550-I754 HydrophobicContact CD1-CG2 4.13Å; I550-I754 HydrophobicContact CG2-CG2 3.48Å; I550-I754 VanDerWaalsContact CG2-CG2 3.48Å; I550-W782 HydrophobicContact CD1-CZ3 4.42Å
551N87.8Confident91.4Very high82 Ų8234.1 Ų34.144%0.43919%0.191SC..  trans-66.7148.5168.9-65.3-74000110.3D553 Q554 Y811N551-D553 WeakPolarHBondContact CB-OD1 3.36Å; N551-D553 PolarHBondContact O-N 3.31Å; N551-Q554 VanDerWaalsContact CB-OE1 3.3Å; N551-Q554 PolarHBondContact ND2-OE1 2.96Å; N551-Q554 VanDerWaalsContact ND2-OE1 3.08Å; N551-Q554 PolarHBondContact O-N 2.69Å; N551-Y811 PolarHBondContact ND2-OH 2.66Å; N551-Y811 VanDerWaalsContact ND2-OH 3.1Å
552P86.3Confident91.5Very high87 Ų8735 Ų3557%0.56518%0.183SC*.THydrogen-bonded Turntrans-65.64.6-179.3-2234000115.7K786P552-K786 VanDerWaalsContact O-CD 3.23Å; P552-K786 WeakPolarHBondContact O-CD 3.31Å; P552-K786 WeakPolarHBondContact O-CE 3.35Å; P552-K786 PolarHBondContact O-NZ 3.02Å
553D90.7Very high91.5Very high63 Ų6334.8 Ų34.834%0.33718%0.183SC..THydrogen-bonded Turntrans-103.7-10.1173.470.1-37.5000113.9N551 L555 F803 M807 K810N551-D553 WeakPolarHBondContact CB-OD1 3.36Å; N551-D553 PolarHBondContact O-N 3.31Å; D553-L555 PolarHBondContact O-N 3.45Å; D553-F803 WeakPolarHBondContact O-CE2 3.35Å; D553-M807 HydrophobicContact CB-CE 4.27Å; D553-M807 VanDerWaalsContact O-CE 3.26Å; D553-M807 WeakPolarHBondContact O-CE 3.37Å; D553-K810 IonicContact OD1-NZ 3.7Å; D553-K810 PolarHBondContact OD1-NZ 3.29Å; D553-K810 WeakPolarHBondContact OD2-CD 3.46Å; D553-K810 IonicContact OD2-NZ 2.66Å; D553-K810 PolarHBondContact OD2-NZ 3.42Å
554Q92.8Very high91.5Very high0 Ų033.6 Ų33.60%018%0.177CC..SBendtrans-78.2-1.9177.3-73.2167.4-10800114.2I550 N551 Y757 D759 Y760 G761 M807 Y811I550-Q554 HydrophobicContact CB-CB 4.08Å; I550-Q554 HydrophobicContact CD1-CB 4Å; I550-Q554 HydrophobicContact CG1-CB 4.47Å; N551-Q554 VanDerWaalsContact CB-OE1 3.3Å; N551-Q554 PolarHBondContact ND2-OE1 2.96Å; N551-Q554 VanDerWaalsContact ND2-OE1 3.08Å; N551-Q554 PolarHBondContact O-N 2.69Å; Q554-Y757 PolarHBondContact NE2-O 3.47Å; Q554-D759 PolarHBondContact NE2-O 3.34Å; Q554-Y760 WeakPolarHBondContact O-CA 3.5Å; Q554-Y760 WeakPolarHBondContact O-CB 3.43Å; Q554-G761 PolarHBondContact O-N 3.41Å; Q554-M807 HydrophobicContact CG-SD 4.14Å; Q554-Y811 VanDerWaalsContact CD-CZ 3.45Å; Q554-Y811 VanDerWaalsContact CD-OH 3.32Å; Q554-Y811 HydrophobicContact CG-CD2 4.13Å; Q554-Y811 HydrophobicContact CG-CE2 3.31Å; Q554-Y811 PolarHBondContact OE1-OH 3.42Å
555L92.9Very high91.6Very high9 Ų936.4 Ų36.45%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-130.3130.3177.9-163.477.9000110.8I550 D553 V753 I754 I763 W782 M783I550-L555 HydrophobicContact CD1-CB 4.15Å; D553-L555 PolarHBondContact O-N 3.45Å; L555-V753 HydrophobicContact CD1-CG1 4.21Å; L555-I754 HydrophobicContact CD1-CD1 4.14Å; L555-I754 HydrophobicContact CD1-CG1 4.03Å; L555-I763 HydrophobicContact CD1-CD1 3.65Å; L555-I763 HydrophobicContact CD1-CG1 4.22Å; L555-I763 HydrophobicContact CD2-CD1 3.91Å; L555-I763 HydrophobicContact CG-CD1 4.03Å; L555-W782 HydrophobicContact CD1-CH2 4.42Å; L555-W782 HydrophobicContact CD1-CZ3 3.87Å; L555-W782 HydrophobicContact CD2-CE3 3.81Å; L555-W782 HydrophobicContact CD2-CH2 4.32Å; L555-W782 HydrophobicContact CD2-CZ3 3.41Å; L555-W782 VanDerWaalsContact CD2-CZ3 3.41Å; L555-W782 HydrophobicContact CG-CZ3 4.19Å; L555-M783 HydrophobicContact CD2-CG 4.15Å
556N93.8Very high91.7Very high14 Ų1432.6 Ų32.68%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-119.7122.7165.4-178.811.4000108.7I762 I763 F803N556-I762 HydrophobicContact CB-CD1 4.19Å; N556-I762 HydrophobicContact CB-CG1 3.7Å; N556-I762 WeakPolarHBondContact O-CA 3.25Å; N556-I763 PolarHBondContact O-N 2.67Å; N556-F803 HydrophobicContact CB-CD2 3.71Å; N556-F803 HydrophobicContact CB-CE2 3.95Å; N556-F803 HydrophobicContact CB-CG 4.09Å
557L95.2Very high92.1Very high0 Ų036.5 Ų36.50%021%0.206CC..EExtended strand (participates in β ladder)trans-117.1106.7-177.3-168.2166.9000109.3I559 I763 L765 L779 M783 K786 C787 K788L557-I559 HydrophobicContact CD2-CD1 4.46Å; L557-I559 HydrophobicContact CD2-CG1 3.94Å; L557-I763 WeakPolarHBondContact CA-O 3.01Å; L557-I763 HydrophobicContact CB-CB 4.42Å; L557-I763 HydrophobicContact CD1-CD1 4.09Å; L557-I763 HydrophobicContact CG-CB 4.01Å; L557-I763 HydrophobicContact CG-CD1 4.27Å; L557-I763 HydrophobicContact CG-CG2 4.13Å; L557-L765 HydrophobicContact CD2-CD1 3.75Å; L557-L765 HydrophobicContact CD2-CG 3.95Å; L557-L779 HydrophobicContact CD1-CD1 4.2Å; L557-M783 HydrophobicContact CD1-CB 3.77Å; L557-M783 HydrophobicContact CD1-CG 4.32Å; L557-M783 HydrophobicContact CD1-SD 4.16Å; L557-K786 HydrophobicContact CB-CB 4.36Å; L557-K786 VanDerWaalsContact O-O 3.12Å; L557-C787 HydrophobicContact CD2-CB 4.45Å; L557-K788 PolarHBondContact O-N 2.98Å
558S96.3Very high92.7Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-104.6114.7-174.7-62.70000110.7I763 Y764 L765 Y790S558-I763 PolarHBondContact N-O 2.91Å; S558-Y764 WeakPolarHBondContact O-CA 3.38Å; S558-L765 PolarHBondContact O-N 3.41Å; S558-Y790 WeakPolarHBondContact OG-CE2 3.37Å
559I97.1Very high93.3Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-88.4123.5171.8-64.7163.3000108.3L557 L765 F770 A771 Q776 C787 K788 V789 Y790L557-I559 HydrophobicContact CD2-CD1 4.46Å; L557-I559 HydrophobicContact CD2-CG1 3.94Å; I559-L765 HydrophobicContact CG1-CB 4.17Å; I559-L765 HydrophobicContact CG1-CD1 4.25Å; I559-F770 HydrophobicContact CG1-CB 4.3Å; I559-F770 HydrophobicContact CG2-CB 3.69Å; I559-A771 HydrophobicContact CG2-CB 4.15Å; I559-Q776 HydrophobicContact CD1-CG 3.94Å; I559-C787 HydrophobicContact CD1-CB 3.9Å; I559-K788 PolarHBondContact N-O 3.2Å; I559-V789 HydrophobicContact CB-CB 4.48Å; I559-V789 HydrophobicContact CB-CG2 4.04Å; I559-V789 HydrophobicContact CD1-CG2 3.99Å; I559-V789 HydrophobicContact CG2-CG1 4.31Å; I559-V789 HydrophobicContact CG2-CG2 4.19Å; I559-Y790 PolarHBondContact O-N 3.21Å
560I97.5Very high93.9Very high1 Ų135.7 Ų35.71%0.00519%0.193CC..  trans-12198.5-173.6-51.4-177000108.3R562 L569 L588 L592 Y764 L765 C766 D767 V793 V796I560-R562 WeakPolarHBondContact CG2-O 3.3Å; I560-L569 HydrophobicContact CG2-CD1 4.01Å; I560-L588 HydrophobicContact CD1-CD1 4.08Å; I560-L588 HydrophobicContact CD1-CD2 4.28Å; I560-L588 HydrophobicContact CG2-CD1 4.16Å; I560-L588 HydrophobicContact CG2-CD2 3.94Å; I560-L592 HydrophobicContact CD1-CD1 3.78Å; I560-Y764 HydrophobicContact CD1-CD1 3.85Å; I560-Y764 HydrophobicContact CD1-CG 4.42Å; I560-L765 PolarHBondContact N-O 2.87Å; I560-C766 WeakPolarHBondContact O-CA 3.2Å; I560-D767 PolarHBondContact O-N 2.66Å; I560-V793 HydrophobicContact CG2-CG2 4.49Å; I560-V796 HydrophobicContact CD1-CG1 3.99Å; I560-V796 HydrophobicContact CD1-CG2 4.2Å; I560-V796 HydrophobicContact CG1-CG2 4.28Å
561P97Very high94.3Very high11 Ų1135.2 Ų35.27%0.07119%0.191CC..SBendtrans-84.6-13.6-178.835.5-34.9000113.4L569 E768 V789 Y790P561-L569 PolarHBondContact O-N 3.32Å; P561-E768 HydrophobicContact CB-CB 3.86Å; P561-V789 HydrophobicContact CG-CG1 4.4Å; P561-Y790 WeakPolarHBondContact CD-O 3.4Å
562R97Very high94.6Very high105 Ų10533.1 Ų33.140%0.39618%0.182SC..BIsolated β-bridgetrans-141.1147.1-176.3-68.5179-179.5-936.9111.6I560 G566 E567I560-R562 WeakPolarHBondContact CG2-O 3.3Å; R562-G566 WeakPolarHBondContact CD-O 3.49Å; R562-G566 PolarHBondContact NH1-O 2.77Å; R562-E567 CarbonylContact C-O 3.59Å; R562-E567 WeakPolarHBondContact CA-O 3.39Å; R562-E567 WeakPolarHBondContact CB-O 3.41Å
563G95.8Very high94.6Very high5 Ų536.1 Ų36.15%0.05218%0.183CC..  trans-83.5-177.217400000113.5D565 G566 E567 S584G563-D565 VanDerWaalsContact C-N 3.26Å; G563-D565 PolarHBondContact O-N 2.75Å; G563-G566 WeakPolarHBondContact O-CA 3.3Å; G563-G566 PolarHBondContact O-N 3.37Å; G563-E567 PolarHBondContact N-O 2.94Å; G563-S584 WeakPolarHBondContact CA-OG 3.31Å
564P94.7Very high94.5Very high44 Ų4438 Ų3829%0.28620%0.201SC..THydrogen-bonded Turntrans-67.2-25.3-174.9-19.933.3000114G566 L587 L588 V793P564-G566 PolarHBondContact O-N 3.27Å; P564-L587 HydrophobicContact CG-CB 4.04Å; P564-L588 HydrophobicContact CG-CB 4.46Å; P564-V793 HydrophobicContact CB-CG2 4.49Å; P564-V793 HydrophobicContact CG-CB 4.39Å; P564-V793 HydrophobicContact CG-CG1 4.37Å; P564-V793 HydrophobicContact CG-CG2 4.11Å
565D94.4Very high94.4Very high71 Ų7140.2 Ų40.238%0.3822%0.215SC..THydrogen-bonded Turntrans-80.42.1172.349.78.5000113.1G563 E567 S584G563-D565 VanDerWaalsContact C-N 3.26Å; G563-D565 PolarHBondContact O-N 2.75Å; D565-E567 PolarHBondContact O-N 3.2Å; D565-E567 PolarHBondContact OD1-N 3Å; D565-S584 VanDerWaalsContact OD1-CB 3.23Å; D565-S584 WeakPolarHBondContact OD1-CB 3.28Å; D565-S584 PolarHBondContact OD1-OG 2.9Å; D565-S584 VanDerWaalsContact OD2-CA 3.27Å; D565-S584 WeakPolarHBondContact OD2-CA 3.32Å; D565-S584 VanDerWaalsContact OD2-CB 3.27Å; D565-S584 WeakPolarHBondContact OD2-CB 3.46Å
566G93.4Very high94.4Very high34 Ų3440.8 Ų40.835%0.35122%0.216SC..SBendtrans78-3.8-177.900000114.3R562 G563 P564R562-G566 WeakPolarHBondContact CD-O 3.49Å; R562-G566 PolarHBondContact NH1-O 2.77Å; G563-G566 WeakPolarHBondContact O-CA 3.3Å; G563-G566 PolarHBondContact O-N 3.37Å; P564-G566 PolarHBondContact O-N 3.27Å
567E95.3Very high94.3Very high92 Ų9244.5 Ų44.543%0.4323%0.233SC..  trans-63.8151.1179.3-90.9-64.717900112.5R562 G563 D565 L569 A580R562-E567 CarbonylContact C-O 3.59Å; R562-E567 WeakPolarHBondContact CA-O 3.39Å; R562-E567 WeakPolarHBondContact CB-O 3.41Å; G563-E567 PolarHBondContact N-O 2.94Å; D565-E567 PolarHBondContact O-N 3.2Å; D565-E567 PolarHBondContact OD1-N 3Å; E567-L569 PolarHBondContact O-N 2.95Å; E567-A580 HydrophobicContact CG-CB 4.44Å
568K95.7Very high94.3Very high88 Ų8847.4 Ų47.438%0.38325%0.251SS..BIsolated β-bridgetrans-77.9120.8-177.9-80.4-174.5162.8-141.50111.4N570 E768K568-N570 PolarHBondContact O-N 3.14Å; K568-N570 VanDerWaalsContact O-N 3.15Å; K568-E768 WeakPolarHBondContact CE-OE2 3.42Å; K568-E768 IonicContact NZ-OE1 3.91Å; K568-E768 IonicContact NZ-OE2 3.44Å; K568-E768 PolarHBondContact NZ-OE2 2.75Å
569L96.6Very high94.2Very high0 Ų051 Ų510%028%0.276CS..  trans-79.7101171.8-58.9177.4000108.2I560 P561 E567 Y581 L585 L588 C766 D767 E768I560-L569 HydrophobicContact CG2-CD1 4.01Å; P561-L569 PolarHBondContact O-N 3.32Å; E567-L569 PolarHBondContact O-N 2.95Å; L569-Y581 HydrophobicContact CB-CE2 4.46Å; L569-Y581 HydrophobicContact CD2-CE2 4.4Å; L569-L585 HydrophobicContact CD2-CB 4.46Å; L569-L585 HydrophobicContact CD2-CD1 4.39Å; L569-L588 HydrophobicContact CD1-CD2 3.62Å; L569-C766 HydrophobicContact CD1-CB 4.39Å; L569-D767 CarbonylContact O-C 3.6Å; L569-D767 VanDerWaalsContact O-CA 3.25Å; L569-D767 WeakPolarHBondContact O-CA 3.43Å; L569-E768 PolarHBondContact O-N 2.69Å
570N95.7Very high94.1Very high23 Ų2352.9 Ų52.912%0.12329%0.291CS..  trans-139.1101.7178.6-173.1-35.9000110.2K568 T572 V575 Y581 E768K568-N570 PolarHBondContact O-N 3.14Å; K568-N570 VanDerWaalsContact O-N 3.15Å; N570-T572 PolarHBondContact O-N 2.67Å; N570-T572 VanDerWaalsContact OD1-CB 3.32Å; N570-T572 WeakPolarHBondContact OD1-CB 3.3Å; N570-T572 WeakPolarHBondContact OD1-CG2 3.47Å; N570-T572 PolarHBondContact OD1-N 3Å; N570-T572 VanDerWaalsContact OD1-N 3.16Å; N570-T572 PolarHBondContact OD1-OG1 2.79Å; N570-V575 HydrophobicContact CB-CG1 4.31Å; N570-V575 WeakPolarHBondContact O-CB 3.17Å; N570-Y581 VanDerWaalsContact N-CE2 3.31Å; N570-E768 HydrophobicContact CB-CG 4.3Å; N570-E768 PolarHBondContact ND2-OE1 2.9Å
571A94.9Very high94.1Very high10 Ų1053 Ų538%0.08329%0.292CS..  trans-78.725-176.200000114.1F609 D767A571-F609 HydrophobicContact CB-CE1 4.18Å; A571-F609 HydrophobicContact CB-CZ 4.27Å; A571-D767 WeakPolarHBondContact CB-OD2 3.38Å; A571-D767 PolarHBondContact N-OD2 3.45Å
572T92.8Very high94.1Very high38 Ų3854.1 Ų54.123%0.23330%0.295CS..SBendtrans-70.8153.2171.749.30000111.4N570 S574 V575 R576N570-T572 PolarHBondContact O-N 2.67Å; N570-T572 VanDerWaalsContact OD1-CB 3.32Å; N570-T572 WeakPolarHBondContact OD1-CB 3.3Å; N570-T572 WeakPolarHBondContact OD1-CG2 3.47Å; N570-T572 PolarHBondContact OD1-N 3Å; N570-T572 VanDerWaalsContact OD1-N 3.16Å; N570-T572 PolarHBondContact OD1-OG1 2.79Å; T572-S574 PolarHBondContact O-N 2.81Å; T572-S574 VanDerWaalsContact O-N 3.14Å; T572-V575 PolarHBondContact O-N 3.16Å; T572-R576 VanDerWaalsContact O-CB 3.3Å; T572-R576 WeakPolarHBondContact O-CB 3.4Å; T572-R576 WeakPolarHBondContact O-CG 3.31Å; T572-R576 PolarHBondContact O-N 3.07Å
573Y87.6Confident94.1Very high150 Ų15051.9 Ų51.959%0.58829%0.29SS*.THydrogen-bonded Turntrans-53.4-35.3-178.7-81.5-104.6000113.3V575 R576Y573-V575 VanDerWaalsContact C-N 3.34Å; Y573-V575 PolarHBondContact O-N 2.64Å; Y573-R576 VanDerWaalsContact CD1-NH2 3.32Å; Y573-R576 VanDerWaalsContact CE1-NH2 3.26Å
574S87.9Confident94.1Very high104 Ų10451.6 Ų51.673%0.72729%0.288SS*.THydrogen-bonded Turntrans-75.7-1218049.30000115.4T572T572-S574 PolarHBondContact O-N 2.81Å; T572-S574 VanDerWaalsContact O-N 3.14Å
575V91.8Very high94.2Very high46 Ų4649.5 Ų49.528%0.27927%0.274SS..THydrogen-bonded Turntrans-123.5-39.1-174.3179.40000112.3N570 T572 Y573 E577 T578 Y581N570-V575 HydrophobicContact CB-CG1 4.31Å; N570-V575 WeakPolarHBondContact O-CB 3.17Å; T572-V575 PolarHBondContact O-N 3.16Å; Y573-V575 VanDerWaalsContact C-N 3.34Å; Y573-V575 PolarHBondContact O-N 2.64Å; V575-E577 PolarHBondContact O-N 2.93Å; V575-T578 WeakPolarHBondContact O-CB 3.33Å; V575-T578 WeakPolarHBondContact O-CG2 3.35Å; V575-T578 PolarHBondContact O-N 2.93Å; V575-T578 PolarHBondContact O-OG1 2.91Å; V575-Y581 HydrophobicContact CG1-CD2 4.46Å
576R91.7Very high94.4Very high20 Ų2046.1 Ų46.18%0.07526%0.256CS..THydrogen-bonded Turntrans-61.2-16.7-172.380.9-173.1-174.7178.44115.4T572 Y573 Y581 R582 F609T572-R576 VanDerWaalsContact O-CB 3.3Å; T572-R576 WeakPolarHBondContact O-CB 3.4Å; T572-R576 WeakPolarHBondContact O-CG 3.31Å; T572-R576 PolarHBondContact O-N 3.07Å; Y573-R576 VanDerWaalsContact CD1-NH2 3.32Å; Y573-R576 VanDerWaalsContact CE1-NH2 3.26Å; R576-Y581 HydrophobicContact CB-CD1 4.25Å; R576-Y581 HydrophobicContact CB-CE1 4.12Å; R576-R582 PolarHBondContact O-NE 3.14Å; R576-F609 HydrophobicContact CB-CD2 4.46Å; R576-F609 HydrophobicContact CB-CE2 3.64Å; R576-F609 HydrophobicContact CB-CZ 3.85Å; R576-F609 HydrophobicContact CG-CD2 4.25Å; R576-F609 HydrophobicContact CG-CE2 3.9Å; R576-F609 HydrophobicContact CG-CZ 4.44Å
577E90.9Very high94.5Very high92 Ų9247 Ų4743%0.4325%0.253SS..THydrogen-bonded Turntrans-97.3-4.3-177.7-61.4179.9-161.900112.2V575V575-E577 PolarHBondContact O-N 2.93Å
578T95.4Very high94.6Very high62 Ų6242.7 Ų42.738%0.3823%0.232SC..SBendtrans-71.8147.2170.965.60000111.9V575 Y581 R582V575-T578 WeakPolarHBondContact O-CB 3.33Å; V575-T578 WeakPolarHBondContact O-CG2 3.35Å; V575-T578 PolarHBondContact O-N 2.93Å; V575-T578 PolarHBondContact O-OG1 2.91Å; T578-Y581 WeakPolarHBondContact OG1-CB 3.49Å; T578-Y581 PolarHBondContact OG1-N 3.49Å; T578-R582 WeakPolarHBondContact O-CG 3.49Å; T578-R582 PolarHBondContact O-N 3.42Å
579S95.1Very high94.7Very high75 Ų7538.5 Ų38.552%0.52421%0.214SC..Hα-helixtrans-60.2-44173.244.90000112.1Y581 R582 N583 Y616S579-Y581 PolarHBondContact O-N 3.01Å; S579-R582 PolarHBondContact O-N 3.27Å; S579-N583 VanDerWaalsContact O-CB 3.3Å; S579-N583 WeakPolarHBondContact O-CB 3.35Å; S579-N583 PolarHBondContact O-N 2.97Å; S579-Y616 WeakPolarHBondContact CB-OH 3.45Å
580A95.7Very high94.7Very high39 Ų3939.9 Ų39.932%0.32222%0.221SC..Hα-helixtrans-54.8-52.7178.900000112.2E567 R582 N583 S584E567-A580 HydrophobicContact CG-CB 4.44Å; A580-R582 PolarHBondContact O-N 3.15Å; A580-N583 PolarHBondContact O-N 3.1Å; A580-S584 VanDerWaalsContact O-CB 3.25Å; A580-S584 WeakPolarHBondContact O-CB 3.34Å; A580-S584 PolarHBondContact O-N 2.76Å
581Y96.8Very high94.6Very high3 Ų342.6 Ų42.61%0.01223%0.233CC..Hα-helixtrans-58.7-47.5176.5171-89.5000112.1L569 N570 V575 R576 T578 S579 N583 S584 L585 F609L569-Y581 HydrophobicContact CB-CE2 4.46Å; L569-Y581 HydrophobicContact CD2-CE2 4.4Å; N570-Y581 VanDerWaalsContact N-CE2 3.31Å; V575-Y581 HydrophobicContact CG1-CD2 4.46Å; R576-Y581 HydrophobicContact CB-CD1 4.25Å; R576-Y581 HydrophobicContact CB-CE1 4.12Å; T578-Y581 WeakPolarHBondContact OG1-CB 3.49Å; T578-Y581 PolarHBondContact OG1-N 3.49Å; S579-Y581 PolarHBondContact O-N 3.01Å; Y581-N583 PolarHBondContact O-N 3.23Å; Y581-S584 PolarHBondContact O-N 3.37Å; Y581-L585 HydrophobicContact CE1-CD2 3.77Å; Y581-L585 VanDerWaalsContact O-CB 3.22Å; Y581-L585 WeakPolarHBondContact O-CB 3.41Å; Y581-L585 PolarHBondContact O-N 3.02Å; Y581-F609 HydrophobicContact CE1-CE2 4.04Å; Y581-F609 AromaticContact CE1-CZ 3.69Å; Y581-F609 HydrophobicContact CE1-CZ 3.69Å
582R96.3Very high94.7Very high35 Ų3542.1 Ų42.113%0.13223%0.229CC..Hα-helixtrans-66.3-37.1-177.7-67.6179.4-176.9175.32.4112.1R576 T578 S579 A580 G586 Y616 W617R576-R582 PolarHBondContact O-NE 3.14Å; T578-R582 WeakPolarHBondContact O-CG 3.49Å; T578-R582 PolarHBondContact O-N 3.42Å; S579-R582 PolarHBondContact O-N 3.27Å; A580-R582 PolarHBondContact O-N 3.15Å; R582-G586 PolarHBondContact O-N 2.85Å; R582-G586 VanDerWaalsContact O-N 3.1Å; R582-Y616 HydrophobicContact CB-CD1 3.41Å; R582-Y616 VanDerWaalsContact CB-CD1 3.41Å; R582-Y616 HydrophobicContact CB-CE1 3.6Å; R582-Y616 HydrophobicContact CB-CG 4.2Å; R582-Y616 HydrophobicContact CG-CD1 4.34Å; R582-W617 PolarHBondContact O-NE1 2.88Å
583N96.7Very high94.8Very high58 Ų5840.3 Ų40.331%0.3122%0.218SC..Hα-helixtrans-66.7-52.2175.3-178.275.8000111.3S579 A580 Y581 L585 G586 L587 Y616S579-N583 VanDerWaalsContact O-CB 3.3Å; S579-N583 WeakPolarHBondContact O-CB 3.35Å; S579-N583 PolarHBondContact O-N 2.97Å; A580-N583 PolarHBondContact O-N 3.1Å; Y581-N583 PolarHBondContact O-N 3.23Å; N583-L585 VanDerWaalsContact C-N 3.29Å; N583-L585 PolarHBondContact O-N 3.28Å; N583-G586 CarbonylContact O-C 3.4Å; N583-G586 WeakPolarHBondContact O-CA 3.46Å; N583-G586 PolarHBondContact O-N 3.27Å; N583-L587 WeakPolarHBondContact ND2-CD1 3.38Å; N583-L587 WeakPolarHBondContact O-CG 3.48Å; N583-L587 PolarHBondContact O-N 2.94Å; N583-Y616 HydrophobicContact CB-CE1 4.43Å
584S97.1Very high94.9Very high0 Ų038.4 Ų38.40%022%0.218CC..Hα-helixtrans-54.2-44.2177.7-174.30000112.3G563 D565 A580 Y581 L587 L588G563-S584 WeakPolarHBondContact CA-OG 3.31Å; D565-S584 VanDerWaalsContact OD1-CB 3.23Å; D565-S584 WeakPolarHBondContact OD1-CB 3.28Å; D565-S584 PolarHBondContact OD1-OG 2.9Å; D565-S584 VanDerWaalsContact OD2-CA 3.27Å; D565-S584 WeakPolarHBondContact OD2-CA 3.32Å; D565-S584 VanDerWaalsContact OD2-CB 3.27Å; D565-S584 WeakPolarHBondContact OD2-CB 3.46Å; A580-S584 VanDerWaalsContact O-CB 3.25Å; A580-S584 WeakPolarHBondContact O-CB 3.34Å; A580-S584 PolarHBondContact O-N 2.76Å; Y581-S584 PolarHBondContact O-N 3.37Å; S584-L587 PolarHBondContact O-N 3.35Å; S584-L588 PolarHBondContact O-N 3.43Å
585L97.2Very high95.2Very high0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-62.1-41.3174.2-170.969.8000112.3L569 Y581 N583 L589 W617 L688L569-L585 HydrophobicContact CD2-CB 4.46Å; L569-L585 HydrophobicContact CD2-CD1 4.39Å; Y581-L585 HydrophobicContact CE1-CD2 3.77Å; Y581-L585 VanDerWaalsContact O-CB 3.22Å; Y581-L585 WeakPolarHBondContact O-CB 3.41Å; Y581-L585 PolarHBondContact O-N 3.02Å; N583-L585 VanDerWaalsContact C-N 3.29Å; N583-L585 PolarHBondContact O-N 3.28Å; L585-L589 WeakPolarHBondContact O-CG 3.14Å; L585-L589 PolarHBondContact O-N 3.14Å; L585-L589 VanDerWaalsContact O-N 3.15Å; L585-W617 HydrophobicContact CB-CZ2 4.29Å; L585-W617 HydrophobicContact CD2-CH2 4.26Å; L585-W617 HydrophobicContact CD2-CZ2 3.91Å; L585-W617 HydrophobicContact CG-CH2 4.47Å; L585-W617 HydrophobicContact CG-CZ2 4.01Å; L585-L688 HydrophobicContact CD1-CD1 4.24Å; L585-L688 HydrophobicContact CD1-CD2 4.01Å; L585-L688 HydrophobicContact CD1-CG 4.48Å; L585-L688 HydrophobicContact CD2-CD1 4.18Å; L585-L688 HydrophobicContact CG-CD1 4.34Å
586G97.2Very high95.4Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-65.4-44176.200000113.2R582 N583 L588 L589 I590R582-G586 PolarHBondContact O-N 2.85Å; R582-G586 VanDerWaalsContact O-N 3.1Å; N583-G586 CarbonylContact O-C 3.4Å; N583-G586 WeakPolarHBondContact O-CA 3.46Å; N583-G586 PolarHBondContact O-N 3.27Å; G586-L588 VanDerWaalsContact C-N 3.35Å; G586-L588 PolarHBondContact O-N 2.66Å; G586-L589 PolarHBondContact O-N 3.02Å; G586-I590 WeakPolarHBondContact O-CG1 3.26Å; G586-I590 PolarHBondContact O-N 3.44Å; G586-I590 VanDerWaalsContact O-N 3.07Å
587L96.3Very high95.5Very high52 Ų5233.5 Ų33.527%0.27219%0.187SC..Hα-helixtrans-62-40.9175.7-67.5177.3000111.9P564 N583 S584 I590 Q591P564-L587 HydrophobicContact CG-CB 4.04Å; N583-L587 WeakPolarHBondContact ND2-CD1 3.38Å; N583-L587 WeakPolarHBondContact O-CG 3.48Å; N583-L587 PolarHBondContact O-N 2.94Å; S584-L587 PolarHBondContact O-N 3.35Å; L587-I590 PolarHBondContact O-N 3Å; L587-Q591 PolarHBondContact O-N 3.36Å
588L97.4Very high95.6Very high1 Ų130 Ų301%0.00517%0.174CC..Hα-helixtrans-59.5-46174.217963.8000111.8I560 P564 L569 S584 G586 I590 Q591 L592 F686 C766 V793I560-L588 HydrophobicContact CD1-CD1 4.08Å; I560-L588 HydrophobicContact CD1-CD2 4.28Å; I560-L588 HydrophobicContact CG2-CD1 4.16Å; I560-L588 HydrophobicContact CG2-CD2 3.94Å; P564-L588 HydrophobicContact CG-CB 4.46Å; L569-L588 HydrophobicContact CD1-CD2 3.62Å; S584-L588 PolarHBondContact O-N 3.43Å; G586-L588 VanDerWaalsContact C-N 3.35Å; G586-L588 PolarHBondContact O-N 2.66Å; L588-I590 VanDerWaalsContact C-N 3.32Å; L588-I590 PolarHBondContact O-N 2.7Å; L588-Q591 PolarHBondContact O-N 3.43Å; L588-L592 HydrophobicContact CD1-CD1 3.52Å; L588-L592 HydrophobicContact CD1-CG 4.28Å; L588-L592 HydrophobicContact CG-CD1 4.12Å; L588-L592 PolarHBondContact O-N 3.4Å; L588-F686 HydrophobicContact CD2-CE1 4.49Å; L588-F686 HydrophobicContact CG-CE1 4.49Å; L588-C766 HydrophobicContact CD2-CB 4.23Å; L588-V793 HydrophobicContact CD1-CB 4.38Å; L588-V793 HydrophobicContact CD1-CG1 3.53Å; L588-V793 HydrophobicContact CD1-CG2 3.84Å
589L97.6Very high95.6Very high1 Ų127 Ų271%0.00516%0.155CC..Hα-helixtrans-63.8-37.7179.6-71-179.1000112L585 G586 A593 I602 W617 L626 F664 F686 L688L585-L589 WeakPolarHBondContact O-CG 3.14Å; L585-L589 PolarHBondContact O-N 3.14Å; L585-L589 VanDerWaalsContact O-N 3.15Å; G586-L589 PolarHBondContact O-N 3.02Å; L589-A593 WeakPolarHBondContact O-CB 3.25Å; L589-A593 PolarHBondContact O-N 3.26Å; L589-I602 HydrophobicContact CD1-CD1 4.17Å; L589-I602 HydrophobicContact CD1-CG2 4.42Å; L589-I602 HydrophobicContact CD2-CD1 3.85Å; L589-I602 HydrophobicContact CD2-CG1 4.49Å; L589-I602 HydrophobicContact CD2-CG2 4.36Å; L589-W617 HydrophobicContact CD1-CH2 3.48Å; L589-W617 VanDerWaalsContact CD1-CH2 3.48Å; L589-W617 HydrophobicContact CD1-CZ2 4.16Å; L589-W617 HydrophobicContact CD1-CZ3 3.96Å; L589-L626 HydrophobicContact CB-CD1 4.34Å; L589-L626 HydrophobicContact CB-CD2 3.94Å; L589-F664 HydrophobicContact CD1-CE1 4.15Å; L589-F686 HydrophobicContact CD2-CD1 3.68Å; L589-F686 HydrophobicContact CD2-CD2 3.97Å; L589-F686 HydrophobicContact CD2-CE1 3.75Å; L589-F686 HydrophobicContact CD2-CE2 4.03Å; L589-F686 HydrophobicContact CD2-CG 3.81Å; L589-F686 HydrophobicContact CD2-CZ 3.93Å; L589-L688 HydrophobicContact CD1-CD1 4.24Å; L589-L688 HydrophobicContact CD2-CD2 4.47Å
590I95.8Very high95.6Very high28 Ų2823.5 Ų23.514%0.14413%0.131CC..Hα-helixtrans-61.8-54.6176.8-67.9160.7000110.2G586 L587 L588 L592 A593 V622 K625 L626G586-I590 WeakPolarHBondContact O-CG1 3.26Å; G586-I590 PolarHBondContact O-N 3.44Å; G586-I590 VanDerWaalsContact O-N 3.07Å; L587-I590 PolarHBondContact O-N 3Å; L588-I590 VanDerWaalsContact C-N 3.32Å; L588-I590 PolarHBondContact O-N 2.7Å; I590-L592 VanDerWaalsContact C-N 3.25Å; I590-L592 PolarHBondContact O-N 2.99Å; I590-A593 PolarHBondContact O-N 3.29Å; I590-V622 HydrophobicContact CD1-CB 4.43Å; I590-V622 HydrophobicContact CD1-CG1 4.07Å; I590-V622 HydrophobicContact CD1-CG2 4.4Å; I590-K625 HydrophobicContact CD1-CB 3.76Å; I590-K625 HydrophobicContact CD1-CD 3.84Å; I590-K625 HydrophobicContact CD1-CG 4.46Å; I590-K625 HydrophobicContact CG1-CB 4.1Å; I590-L626 HydrophobicContact CB-CD2 4.42Å; I590-L626 HydrophobicContact CG1-CD2 3.78Å; I590-L626 HydrophobicContact CG1-CG 3.77Å
591Q94.3Very high95.7Very high80 Ų8021.7 Ų21.737%0.37412%0.115SC..Hα-helixtrans-60.9-31.8-175.7-71.8-173.4-16.300113.9L587 L588 V793 V797L587-Q591 PolarHBondContact O-N 3.36Å; L588-Q591 PolarHBondContact O-N 3.43Å; Q591-V793 VanDerWaalsContact OE1-CG1 3.3Å; Q591-V797 HydrophobicContact CB-CG2 4.43Å
592L96.1Very high95.7Very high0 Ų021.5 Ų21.50%012%0.115CC..Hα-helixtrans-98.9-12.6-177.3-68.5175.1000114I560 L588 I590 V595 V596 F686 Y764 V796 V797I560-L592 HydrophobicContact CD1-CD1 3.78Å; L588-L592 HydrophobicContact CD1-CD1 3.52Å; L588-L592 HydrophobicContact CD1-CG 4.28Å; L588-L592 HydrophobicContact CG-CD1 4.12Å; L588-L592 PolarHBondContact O-N 3.4Å; I590-L592 VanDerWaalsContact C-N 3.25Å; I590-L592 PolarHBondContact O-N 2.99Å; L592-V595 HydrophobicContact CD2-CG2 4.17Å; L592-V596 VanDerWaalsContact O-CG2 3.27Å; L592-V596 WeakPolarHBondContact O-CG2 3.19Å; L592-V596 PolarHBondContact O-N 2.94Å; L592-F686 HydrophobicContact CB-CE2 4.39Å; L592-F686 HydrophobicContact CB-CZ 3.67Å; L592-F686 HydrophobicContact CD1-CE1 4.05Å; L592-F686 HydrophobicContact CD1-CZ 3.77Å; L592-F686 HydrophobicContact CG-CZ 4.39Å; L592-Y764 HydrophobicContact CB-CE2 4.49Å; L592-Y764 HydrophobicContact CD1-CD1 4.09Å; L592-Y764 HydrophobicContact CD1-CE1 3.87Å; L592-Y764 HydrophobicContact CD1-CE2 4.49Å; L592-Y764 HydrophobicContact CD1-CG 4.49Å; L592-Y764 HydrophobicContact CD2-CE1 4.22Å; L592-V796 HydrophobicContact CD1-CG1 4.15Å; L592-V796 HydrophobicContact CD2-CB 4.32Å; L592-V796 HydrophobicContact CD2-CG1 3.86Å; L592-V797 HydrophobicContact CD2-CB 4.49Å; L592-V797 HydrophobicContact CD2-CG2 3.74Å
593A95.6Very high95.7Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-66.9-46.4171.700000111L589 I590 V595 V596 L600 L626 S629 K630 I662L589-A593 WeakPolarHBondContact O-CB 3.25Å; L589-A593 PolarHBondContact O-N 3.26Å; I590-A593 PolarHBondContact O-N 3.29Å; A593-V595 VanDerWaalsContact C-N 3.32Å; A593-V595 PolarHBondContact O-N 3.3Å; A593-V596 PolarHBondContact O-N 3.23Å; A593-L600 HydrophobicContact CB-CD2 4.38Å; A593-L626 HydrophobicContact CB-CD2 4.3Å; A593-S629 WeakPolarHBondContact CB-OG 3.49Å; A593-K630 WeakPolarHBondContact O-CE 3.39Å; A593-I662 HydrophobicContact CB-CD1 4.35Å
594D90.8Very high95.8Very high110 Ų11017.1 Ų17.159%0.5889%0.094SC*.THydrogen-bonded Turntrans-61.3-35.9-176-70.2-27.6000113.4S629D594-S629 WeakPolarHBondContact OD1-CB 3.49Å; D594-S629 PolarHBondContact OD1-OG 2.92Å
595V94.2Very high95.7Very high37 Ų3718.5 Ų18.522%0.22410%0.103CC..THydrogen-bonded Turntrans-86.1-13.9-179.5-72.90000114.9L592 A593 P597 V797 T800L592-V595 HydrophobicContact CD2-CG2 4.17Å; A593-V595 VanDerWaalsContact C-N 3.32Å; A593-V595 PolarHBondContact O-N 3.3Å; V595-P597 WeakPolarHBondContact O-CD 2.95Å; V595-V797 HydrophobicContact CG1-CG1 3.81Å; V595-V797 HydrophobicContact CG2-CG1 4.26Å; V595-T800 HydrophobicContact CB-CG2 4.07Å; V595-T800 HydrophobicContact CG2-CG2 3.73Å
596V95.2Very high95.5Very high1 Ų120.2 Ų20.21%0.00612%0.115CC..SBendtrans-88.5117.5174.6177.70000109.4L592 A593 L600 K630 R683 Y764 T800 F804L592-V596 VanDerWaalsContact O-CG2 3.27Å; L592-V596 WeakPolarHBondContact O-CG2 3.19Å; L592-V596 PolarHBondContact O-N 2.94Å; A593-V596 PolarHBondContact O-N 3.23Å; V596-L600 HydrophobicContact CB-CD1 4.16Å; V596-L600 HydrophobicContact CG1-CD1 3.85Å; V596-L600 HydrophobicContact CG2-CD1 4.15Å; V596-K630 WeakPolarHBondContact O-CE 3.38Å; V596-K630 PolarHBondContact O-NZ 3.44Å; V596-R683 HydrophobicContact CG1-CB 4.32Å; V596-Y764 HydrophobicContact CG2-CE2 3.98Å; V596-Y764 WeakPolarHBondContact CG2-OH 3.3Å; V596-T800 HydrophobicContact CG2-CG2 4.24Å; V596-F804 HydrophobicContact CB-CE2 4.34Å; V596-F804 HydrophobicContact CG1-CE2 4.22Å; V596-F804 HydrophobicContact CG1-CZ 4.14Å; V596-F804 HydrophobicContact CG2-CE2 4.06Å
597P93.2Very high95.3Very high29 Ų2922.8 Ų22.819%0.18813%0.125CC..  trans-68.3154.5178.429.3-34.6000111.8V595 G599 R683 F804V595-P597 WeakPolarHBondContact O-CD 2.95Å; P597-G599 PolarHBondContact O-N 3.35Å; P597-R683 HydrophobicContact CG-CB 4.36Å; P597-R683 HydrophobicContact CG-CG 4.35Å; P597-F804 VanDerWaalsContact CD-CD2 3.5Å; P597-F804 HydrophobicContact CG-CD1 3.78Å; P597-F804 HydrophobicContact CG-CD2 4.31Å; P597-F804 HydrophobicContact CG-CE1 4.01Å; P597-F804 HydrophobicContact CG-CG 3.94Å; P597-F804 HydrophobicContact CG-CZ 4.38Å
598A94Very high95.1Very high19 Ų1923.3 Ų23.316%0.15713%0.133CC..SBendtrans56.4-133.4169.700000113.5K630 A653 G660 A661 N680 R683A598-K630 PolarHBondContact O-NZ 3.29Å; A598-A653 WeakPolarHBondContact CB-O 3.23Å; A598-G660 WeakPolarHBondContact O-CA 3.2Å; A598-A661 PolarHBondContact O-N 2.93Å; A598-N680 HydrophobicContact CB-CB 3.74Å; A598-N680 VanDerWaalsContact CB-O 3.27Å; A598-N680 WeakPolarHBondContact CB-O 3.49Å; A598-R683 HydrophobicContact CB-CG 4.49Å
599G95Very high95Very high0 Ų023.3 Ų23.30%013%0.133CC..EExtended strand (participates in β ladder)trans-77.8130.8-176.100000115.3P597 Y649 A661 N680 G682 R683P597-G599 PolarHBondContact O-N 3.35Å; G599-Y649 VanDerWaalsContact CA-OH 3.28Å; G599-Y649 WeakPolarHBondContact CA-OH 3.41Å; G599-A661 WeakPolarHBondContact CA-O 3.46Å; G599-N680 WeakPolarHBondContact CA-O 3.43Å; G599-N680 PolarHBondContact N-O 2.99Å; G599-G682 CarbonylContact O-C 3.56Å; G599-G682 WeakPolarHBondContact O-CA 3.11Å; G599-R683 PolarHBondContact O-N 3.39Å
600L96Very high94.9Very high1 Ų123.4 Ų23.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-120.2127175.7-175.871.7000110.6A593 V596 I602 K630 Y649 A661 I662 L663 F686A593-L600 HydrophobicContact CB-CD2 4.38Å; V596-L600 HydrophobicContact CB-CD1 4.16Å; V596-L600 HydrophobicContact CG1-CD1 3.85Å; V596-L600 HydrophobicContact CG2-CD1 4.15Å; L600-I602 HydrophobicContact CD2-CD1 4.07Å; L600-I602 HydrophobicContact CD2-CG1 4.25Å; L600-I602 HydrophobicContact CG-CG1 4.21Å; L600-K630 HydrophobicContact CB-CD 4.37Å; L600-Y649 PolarHBondContact N-OH 3.28Å; L600-A661 PolarHBondContact N-O 3.24Å; L600-I662 HydrophobicContact CB-CG1 4.27Å; L600-I662 HydrophobicContact CD2-CG1 4.15Å; L600-I662 CarbonylContact O-C 3.53Å; L600-I662 WeakPolarHBondContact O-CA 3.11Å; L600-L663 PolarHBondContact O-N 2.87Å; L600-F686 HydrophobicContact CD1-CD2 3.81Å; L600-F686 HydrophobicContact CD1-CE2 3.82Å; L600-F686 HydrophobicContact CD2-CD2 4.03Å; L600-F686 HydrophobicContact CD2-CE2 3.82Å; L600-F686 HydrophobicContact CG-CD2 4.12Å; L600-F686 HydrophobicContact CG-CE2 4.27Å
601L96.2Very high94.9Very high0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-100.9133.3176.9-52.1178.4000110F603 Y649 L663 L677 G684 V685 F686 R752L601-F603 HydrophobicContact CB-CD2 4.39Å; L601-F603 HydrophobicContact CB-CE2 3.86Å; L601-F603 HydrophobicContact CD1-CE2 4.2Å; L601-F603 HydrophobicContact CD1-CZ 4.44Å; L601-Y649 HydrophobicContact CD2-CE1 3.99Å; L601-Y649 WeakPolarHBondContact CD2-OH 3.25Å; L601-L663 HydrophobicContact CD2-CB 4.03Å; L601-L663 HydrophobicContact CD2-CD2 4.28Å; L601-L677 HydrophobicContact CD1-CD1 3.61Å; L601-L677 HydrophobicContact CD2-CD1 3.95Å; L601-L677 HydrophobicContact CG-CD1 4.43Å; L601-G684 PolarHBondContact N-O 2.76Å; L601-V685 HydrophobicContact CB-CG2 4.2Å; L601-V685 HydrophobicContact CD1-CG2 4.1Å; L601-V685 CarbonylContact O-C 3.53Å; L601-V685 WeakPolarHBondContact O-CA 3.3Å; L601-F686 PolarHBondContact O-N 3.41Å; L601-R752 HydrophobicContact CD1-CB 4.12Å
602I97.3Very high95Very high0 Ų022.6 Ų22.60%013%0.133CC..EExtended strand (participates in β ladder)trans-128.2103.5-178.1-55.5179.1000109.9L589 L600 F604 I662 L663 F664 A665 F686 L688L589-I602 HydrophobicContact CD1-CD1 4.17Å; L589-I602 HydrophobicContact CD1-CG2 4.42Å; L589-I602 HydrophobicContact CD2-CD1 3.85Å; L589-I602 HydrophobicContact CD2-CG1 4.49Å; L589-I602 HydrophobicContact CD2-CG2 4.36Å; L600-I602 HydrophobicContact CD2-CD1 4.07Å; L600-I602 HydrophobicContact CD2-CG1 4.25Å; L600-I602 HydrophobicContact CG-CG1 4.21Å; I602-F604 HydrophobicContact CG2-CE2 4.31Å; I602-I662 HydrophobicContact CD1-CD1 4.4Å; I602-I662 HydrophobicContact CD1-CG1 4.42Å; I602-I662 HydrophobicContact CD1-CG2 3.63Å; I602-I662 HydrophobicContact CG1-CG2 4.23Å; I602-L663 PolarHBondContact N-O 2.6Å; I602-F664 HydrophobicContact CB-CD1 3.73Å; I602-F664 HydrophobicContact CB-CE1 4.11Å; I602-F664 HydrophobicContact CD1-CD1 4.03Å; I602-F664 HydrophobicContact CD1-CE1 3.6Å; I602-F664 HydrophobicContact CD1-CZ 4.37Å; I602-F664 HydrophobicContact CG1-CD1 4.43Å; I602-F664 HydrophobicContact CG1-CE1 4.44Å; I602-F664 HydrophobicContact CG2-CD1 3.76Å; I602-F664 HydrophobicContact CG2-CE1 3.9Å; I602-A665 PolarHBondContact O-N 3.3Å; I602-F686 HydrophobicContact CB-CB 4.27Å; I602-F686 HydrophobicContact CG1-CB 4.15Å; I602-F686 HydrophobicContact CG1-CD2 4.07Å; I602-F686 HydrophobicContact CG1-CG 4.42Å; I602-F686 HydrophobicContact CG2-CB 4.02Å; I602-L688 HydrophobicContact CG2-CD1 3.45Å; I602-L688 VanDerWaalsContact CG2-CD1 3.45Å; I602-L688 HydrophobicContact CG2-CG 3.92Å
603F97.6Very high95Very high0 Ų022.6 Ų22.60%013%0.133CC..EExtended strand (participates in β ladder)trans-98123.8-174.8-68.3-82.8000113.2L601 A665 M667 V671 V685 F686 I687 L688 A749 R752L601-F603 HydrophobicContact CB-CD2 4.39Å; L601-F603 HydrophobicContact CB-CE2 3.86Å; L601-F603 HydrophobicContact CD1-CE2 4.2Å; L601-F603 HydrophobicContact CD1-CZ 4.44Å; F603-A665 WeakPolarHBondContact CA-O 3.26Å; F603-A665 HydrophobicContact CD1-CB 3.57Å; F603-A665 HydrophobicContact CE1-CB 3.66Å; F603-A665 HydrophobicContact CG-CB 4.33Å; F603-A665 HydrophobicContact CZ-CB 4.48Å; F603-M667 HydrophobicContact CB-CG 3.76Å; F603-M667 HydrophobicContact CG-CG 4.41Å; F603-V671 HydrophobicContact CE1-CB 4.02Å; F603-V671 HydrophobicContact CE1-CG1 3.93Å; F603-V671 HydrophobicContact CZ-CB 4.5Å; F603-V671 HydrophobicContact CZ-CG1 3.92Å; F603-V685 HydrophobicContact CD2-CG1 3.91Å; F603-V685 HydrophobicContact CE2-CG1 4.11Å; F603-F686 PolarHBondContact N-O 3.41Å; F603-I687 HydrophobicContact CB-CD1 4.11Å; F603-I687 HydrophobicContact CD2-CD1 4.16Å; F603-I687 HydrophobicContact CG-CD1 4.49Å; F603-L688 PolarHBondContact O-N 2.95Å; F603-A749 HydrophobicContact CD1-CB 4.11Å; F603-A749 HydrophobicContact CD2-CB 3.88Å; F603-A749 HydrophobicContact CE1-CB 4.21Å; F603-A749 HydrophobicContact CE2-CB 3.97Å; F603-A749 HydrophobicContact CG-CB 3.94Å; F603-A749 HydrophobicContact CZ-CB 4.14Å; F603-R752 HydrophobicContact CZ-CG 4.49Å
604F97.1Very high95.1Very high0 Ų023 Ų230%014%0.136CC..EExtended strand (participates in β ladder)trans-95.3150.5171.9-69.8-91.9000112.7I602 S606 F609 M610 C613 W617 F664 A665 V666 M667 L688I602-F604 HydrophobicContact CG2-CE2 4.31Å; F604-S606 PolarHBondContact O-N 3.49Å; F604-F609 AromaticContact CD1-CD1 3.97Å; F604-F609 HydrophobicContact CD1-CD1 3.97Å; F604-F609 HydrophobicContact CD1-CE1 4.15Å; F604-F609 HydrophobicContact CD1-CG 4.46Å; F604-M610 HydrophobicContact CB-CB 3.94Å; F604-M610 HydrophobicContact CD1-CB 4.32Å; F604-M610 HydrophobicContact CD2-CB 3.61Å; F604-M610 HydrophobicContact CD2-CG 3.48Å; F604-M610 VanDerWaalsContact CD2-CG 3.48Å; F604-M610 HydrophobicContact CD2-SD 3.95Å; F604-M610 HydrophobicContact CE2-CB 4.1Å; F604-M610 HydrophobicContact CE2-CG 3.65Å; F604-M610 HydrophobicContact CE2-SD 4.39Å; F604-M610 HydrophobicContact CG-CB 3.71Å; F604-M610 HydrophobicContact CG-CG 4.14Å; F604-M610 HydrophobicContact CZ-CG 4.44Å; F604-C613 HydrophobicContact CE1-CB 3.82Å; F604-C613 HydrophobicContact CZ-CB 4.11Å; F604-W617 HydrophobicContact CE1-CH2 4.29Å; F604-W617 AromaticContact CZ-CH2 3.81Å; F604-W617 HydrophobicContact CZ-CH2 3.81Å; F604-W617 AromaticContact CZ-CZ3 3.87Å; F604-W617 HydrophobicContact CZ-CZ3 3.87Å; F604-F664 HydrophobicContact CE2-CB 4.44Å; F604-F664 AromaticContact CE2-CD1 3.63Å; F604-F664 HydrophobicContact CE2-CD1 3.63Å; F604-F664 HydrophobicContact CE2-CE1 4.21Å; F604-F664 HydrophobicContact CE2-CG 4.32Å; F604-F664 HydrophobicContact CZ-CD1 4.31Å; F604-F664 HydrophobicContact CZ-CE1 4.46Å; F604-A665 PolarHBondContact N-O 3.12Å; F604-V666 WeakPolarHBondContact O-CA 3.34Å; F604-M667 PolarHBondContact O-N 3.2Å; F604-L688 HydrophobicContact CD1-CB 4.41Å; F604-L688 HydrophobicContact CD1-CD1 4.26Å; F604-L688 HydrophobicContact CE1-CD1 3.8Å; F604-L688 HydrophobicContact CE2-CD1 4.36Å; F604-L688 HydrophobicContact CZ-CD1 3.87Å
605P95.2Very high95.4Very high29 Ų2922.9 Ų22.919%0.18813%0.132CC..SBendtrans-54.4-25.1168-33.736.2000117.2F609 M667 L688 P691P605-F609 HydrophobicContact CB-CD1 4.26Å; P605-F609 HydrophobicContact CG-CD1 4.11Å; P605-F609 HydrophobicContact CG-CE1 4.16Å; P605-M667 HydrophobicContact CG-CE 3.91Å; P605-L688 WeakPolarHBondContact CD-O 3.42Å; P605-L688 WeakPolarHBondContact CG-O 3.5Å; P605-P691 HydrophobicContact CB-CB 4.49Å
606S93.4Very high95.5Very high36 Ų3624.7 Ų24.725%0.25214%0.135SC..  trans-163.3157.4176.769.50000112.7F604 S608 F609 M610F604-S606 PolarHBondContact O-N 3.49Å; S606-S608 PolarHBondContact O-N 3.28Å; S606-F609 PolarHBondContact O-N 3.45Å; S606-F609 WeakPolarHBondContact OG-CB 3.35Å; S606-F609 PolarHBondContact OG-N 2.87Å; S606-M610 PolarHBondContact O-N 3.36Å
607Y93.4Very high95.6Very high54 Ų5424.7 Ų24.721%0.21214%0.135CC..Hα-helixtrans-58.3-33.8172.4-69.4-80.6000113.3M610 S611 E635 R637 V666Y607-M610 HydrophobicContact CD1-CE 3.81Å; Y607-M610 HydrophobicContact CE1-CE 4.34Å; Y607-S611 WeakPolarHBondContact O-CB 3.34Å; Y607-S611 PolarHBondContact O-N 3.15Å; Y607-S611 PolarHBondContact O-OG 3.48Å; Y607-E635 HydrophobicContact CE1-CG 4.2Å; Y607-E635 PolarHBondContact OH-OE1 3.4Å; Y607-R637 HydrophobicContact CD1-CG 3.84Å; Y607-R637 HydrophobicContact CE1-CG 3.92Å; Y607-R637 HydrophobicContact CG-CG 4.17Å; Y607-V666 HydrophobicContact CD1-CB 4.46Å; Y607-V666 HydrophobicContact CD1-CG2 3.56Å; Y607-V666 HydrophobicContact CD2-CB 4.42Å; Y607-V666 HydrophobicContact CD2-CG1 4.18Å; Y607-V666 HydrophobicContact CD2-CG2 4.14Å; Y607-V666 HydrophobicContact CE1-CB 4.31Å; Y607-V666 HydrophobicContact CE1-CG2 3.78Å; Y607-V666 HydrophobicContact CE2-CB 4.28Å; Y607-V666 HydrophobicContact CE2-CG1 4.26Å; Y607-V666 HydrophobicContact CE2-CG2 4.34Å; Y607-V666 HydrophobicContact CG-CG2 3.76Å
608S92.9Very high95.8Very high63 Ų6328.7 Ų28.744%0.44115%0.149SC..Hα-helixtrans-65.6-45.5179.5-165.90000111.1S606 S611 Q612S606-S608 PolarHBondContact O-N 3.28Å; S608-S611 PolarHBondContact O-N 2.9Å; S608-Q612 VanDerWaalsContact O-CG 3.29Å; S608-Q612 WeakPolarHBondContact O-CG 3.37Å; S608-Q612 PolarHBondContact O-N 2.95Å
609F94.4Very high95.8Very high1 Ų134.7 Ų34.70%0.00418%0.178CC..Hα-helixtrans-70.3-36.6179.3-179.1-140.3000112.3A571 R576 Y581 F604 P605 S606 C613A571-F609 HydrophobicContact CB-CE1 4.18Å; A571-F609 HydrophobicContact CB-CZ 4.27Å; R576-F609 HydrophobicContact CB-CD2 4.46Å; R576-F609 HydrophobicContact CB-CE2 3.64Å; R576-F609 HydrophobicContact CB-CZ 3.85Å; R576-F609 HydrophobicContact CG-CD2 4.25Å; R576-F609 HydrophobicContact CG-CE2 3.9Å; R576-F609 HydrophobicContact CG-CZ 4.44Å; Y581-F609 HydrophobicContact CE1-CE2 4.04Å; Y581-F609 AromaticContact CE1-CZ 3.69Å; Y581-F609 HydrophobicContact CE1-CZ 3.69Å; F604-F609 AromaticContact CD1-CD1 3.97Å; F604-F609 HydrophobicContact CD1-CD1 3.97Å; F604-F609 HydrophobicContact CD1-CE1 4.15Å; F604-F609 HydrophobicContact CD1-CG 4.46Å; P605-F609 HydrophobicContact CB-CD1 4.26Å; P605-F609 HydrophobicContact CG-CD1 4.11Å; P605-F609 HydrophobicContact CG-CE1 4.16Å; S606-F609 PolarHBondContact O-N 3.45Å; S606-F609 WeakPolarHBondContact OG-CB 3.35Å; S606-F609 PolarHBondContact OG-N 2.87Å; F609-C613 WeakPolarHBondContact CE2-SG 3.45Å; F609-C613 PolarHBondContact O-N 3.25Å; F609-C613 PolarHBondContact O-SG 3.03Å
610M96.1Very high95.8Very high4 Ų436.7 Ų36.72%0.0220%0.199CC..Hα-helixtrans-59.2-51171.2-179171.777.800111.7F604 S606 Y607 C613 I614 I634 F664 V666F604-M610 HydrophobicContact CB-CB 3.94Å; F604-M610 HydrophobicContact CD1-CB 4.32Å; F604-M610 HydrophobicContact CD2-CB 3.61Å; F604-M610 HydrophobicContact CD2-CG 3.48Å; F604-M610 VanDerWaalsContact CD2-CG 3.48Å; F604-M610 HydrophobicContact CD2-SD 3.95Å; F604-M610 HydrophobicContact CE2-CB 4.1Å; F604-M610 HydrophobicContact CE2-CG 3.65Å; F604-M610 HydrophobicContact CE2-SD 4.39Å; F604-M610 HydrophobicContact CG-CB 3.71Å; F604-M610 HydrophobicContact CG-CG 4.14Å; F604-M610 HydrophobicContact CZ-CG 4.44Å; S606-M610 PolarHBondContact O-N 3.36Å; Y607-M610 HydrophobicContact CD1-CE 3.81Å; Y607-M610 HydrophobicContact CE1-CE 4.34Å; M610-C613 PolarHBondContact O-N 2.81Å; M610-I614 HydrophobicContact CG-CD1 3.69Å; M610-I614 WeakPolarHBondContact O-CB 3.42Å; M610-I614 WeakPolarHBondContact O-CG1 3.35Å; M610-I614 PolarHBondContact O-N 3.26Å; M610-I634 HydrophobicContact CE-CG2 3.78Å; M610-I634 HydrophobicContact SD-CG2 4.32Å; M610-F664 HydrophobicContact SD-CB 4.01Å; M610-V666 HydrophobicContact CE-CG2 3.96Å; M610-V666 HydrophobicContact SD-CG2 3.96Å
611S95.8Very high95.7Very high41 Ų4140.6 Ų40.629%0.28722%0.22SC..Hα-helixtrans-56-52.8176.4-74.20000111.5Y607 S608 C613 I614 E615Y607-S611 WeakPolarHBondContact O-CB 3.34Å; Y607-S611 PolarHBondContact O-N 3.15Å; Y607-S611 PolarHBondContact O-OG 3.48Å; S608-S611 PolarHBondContact O-N 2.9Å; S611-C613 VanDerWaalsContact C-N 3.3Å; S611-C613 PolarHBondContact O-N 3.29Å; S611-I614 PolarHBondContact O-N 3.29Å; S611-I614 VanDerWaalsContact O-N 3.14Å; S611-E615 WeakPolarHBondContact O-CB 3.47Å; S611-E615 VanDerWaalsContact O-CD 3.31Å; S611-E615 VanDerWaalsContact O-CG 3.29Å; S611-E615 WeakPolarHBondContact O-CG 3.41Å; S611-E615 PolarHBondContact O-N 3.35Å
612Q95.1Very high95.7Very high49 Ų4940.9 Ų40.923%0.22922%0.222CC..Hα-helixtrans-59.6-34.3-179.1-73.6175.3-7.200114.3S608 Y616S608-Q612 VanDerWaalsContact O-CG 3.29Å; S608-Q612 WeakPolarHBondContact O-CG 3.37Å; S608-Q612 PolarHBondContact O-N 2.95Å; Q612-Y616 WeakPolarHBondContact O-CB 3.3Å; Q612-Y616 PolarHBondContact O-N 3.42Å
613C97.2Very high95.7Very high0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-73.5-44.8175.2-65.20000111.1F604 F609 M610 S611 E615 Y616 W617F604-C613 HydrophobicContact CE1-CB 3.82Å; F604-C613 HydrophobicContact CZ-CB 4.11Å; F609-C613 WeakPolarHBondContact CE2-SG 3.45Å; F609-C613 PolarHBondContact O-N 3.25Å; F609-C613 PolarHBondContact O-SG 3.03Å; M610-C613 PolarHBondContact O-N 2.81Å; S611-C613 VanDerWaalsContact C-N 3.3Å; S611-C613 PolarHBondContact O-N 3.29Å; C613-E615 PolarHBondContact O-N 3.5Å; C613-Y616 PolarHBondContact O-N 2.87Å; C613-W617 HydrophobicContact CB-CD2 4.39Å; C613-W617 HydrophobicContact CB-CE3 4.31Å; C613-W617 HydrophobicContact CB-CH2 3.96Å; C613-W617 HydrophobicContact CB-CZ2 4.03Å; C613-W617 HydrophobicContact CB-CZ3 4.1Å; C613-W617 WeakPolarHBondContact O-CB 3.43Å; C613-W617 PolarHBondContact O-N 3.12Å
614I96.9Very high95.6Very high9 Ų948 Ų485%0.04625%0.254CS..Hα-helixtrans-67.1-36.4-179.7-68.8171.7000111.9M610 S611 W617 K618 Y623 I634 F664M610-I614 HydrophobicContact CG-CD1 3.69Å; M610-I614 WeakPolarHBondContact O-CB 3.42Å; M610-I614 WeakPolarHBondContact O-CG1 3.35Å; M610-I614 PolarHBondContact O-N 3.26Å; S611-I614 PolarHBondContact O-N 3.29Å; S611-I614 VanDerWaalsContact O-N 3.14Å; I614-W617 HydrophobicContact CG1-CE3 4.26Å; I614-W617 HydrophobicContact CG1-CZ3 4.4Å; I614-K618 HydrophobicContact CG2-CD 4.19Å; I614-K618 WeakPolarHBondContact O-CB 3.36Å; I614-K618 VanDerWaalsContact O-CG 3.25Å; I614-K618 WeakPolarHBondContact O-CG 3.41Å; I614-K618 PolarHBondContact O-N 3.41Å; I614-K618 VanDerWaalsContact O-N 3.12Å; I614-Y623 HydrophobicContact CG2-CD2 4.09Å; I614-Y623 HydrophobicContact CG2-CE2 3.89Å; I614-I634 HydrophobicContact CD1-CD1 3.98Å; I614-I634 HydrophobicContact CD1-CG1 4.14Å; I614-I634 HydrophobicContact CD1-CG2 4.29Å; I614-I634 HydrophobicContact CG2-CD1 4.16Å; I614-F664 HydrophobicContact CD1-CB 4.06Å; I614-F664 HydrophobicContact CD1-CD2 3.71Å; I614-F664 HydrophobicContact CD1-CE2 4.26Å; I614-F664 HydrophobicContact CD1-CG 3.93Å; I614-F664 HydrophobicContact CG1-CD2 4.25Å; I614-F664 HydrophobicContact CG1-CE2 4.3Å
615E96.5Very high95.6Very high108 Ų10851.7 Ų51.751%0.50527%0.27SS..Hα-helixtrans-61.4-56171.8-73.9153.4-165.700110.1S611 C613 W617 K618 D619S611-E615 WeakPolarHBondContact O-CB 3.47Å; S611-E615 VanDerWaalsContact O-CD 3.31Å; S611-E615 VanDerWaalsContact O-CG 3.29Å; S611-E615 WeakPolarHBondContact O-CG 3.41Å; S611-E615 PolarHBondContact O-N 3.35Å; C613-E615 PolarHBondContact O-N 3.5Å; E615-W617 VanDerWaalsContact C-N 3.26Å; E615-W617 PolarHBondContact O-N 3.16Å; E615-K618 WeakPolarHBondContact O-CB 3.25Å; E615-K618 PolarHBondContact O-N 3.48Å; E615-D619 PolarHBondContact O-N 2.9Å
616Y96.8Very high95.6Very high75 Ų7550.3 Ų50.329%0.29426%0.261SS..Hα-helixtrans-57.2-35.9177.6-178.6-100.7000113.7S579 R582 N583 Q612 C613 K618 G620S579-Y616 WeakPolarHBondContact CB-OH 3.45Å; R582-Y616 HydrophobicContact CB-CD1 3.41Å; R582-Y616 VanDerWaalsContact CB-CD1 3.41Å; R582-Y616 HydrophobicContact CB-CE1 3.6Å; R582-Y616 HydrophobicContact CB-CG 4.2Å; R582-Y616 HydrophobicContact CG-CD1 4.34Å; N583-Y616 HydrophobicContact CB-CE1 4.43Å; Q612-Y616 WeakPolarHBondContact O-CB 3.3Å; Q612-Y616 PolarHBondContact O-N 3.42Å; C613-Y616 PolarHBondContact O-N 2.87Å; Y616-K618 VanDerWaalsContact C-N 3.35Å; Y616-G620 PolarHBondContact O-N 2.92Å
617W97.9Very high95.7Very high1 Ų150.9 Ų50.90%0.00427%0.265CS..Hα-helixtrans-75.6-18.9176.5-65-27000114.3R582 L585 L589 F604 C613 I614 E615 G620 V622 Y623 F664R582-W617 PolarHBondContact O-NE1 2.88Å; L585-W617 HydrophobicContact CB-CZ2 4.29Å; L585-W617 HydrophobicContact CD2-CH2 4.26Å; L585-W617 HydrophobicContact CD2-CZ2 3.91Å; L585-W617 HydrophobicContact CG-CH2 4.47Å; L585-W617 HydrophobicContact CG-CZ2 4.01Å; L589-W617 HydrophobicContact CD1-CH2 3.48Å; L589-W617 VanDerWaalsContact CD1-CH2 3.48Å; L589-W617 HydrophobicContact CD1-CZ2 4.16Å; L589-W617 HydrophobicContact CD1-CZ3 3.96Å; F604-W617 HydrophobicContact CE1-CH2 4.29Å; F604-W617 AromaticContact CZ-CH2 3.81Å; F604-W617 HydrophobicContact CZ-CH2 3.81Å; F604-W617 AromaticContact CZ-CZ3 3.87Å; F604-W617 HydrophobicContact CZ-CZ3 3.87Å; C613-W617 HydrophobicContact CB-CD2 4.39Å; C613-W617 HydrophobicContact CB-CE3 4.31Å; C613-W617 HydrophobicContact CB-CH2 3.96Å; C613-W617 HydrophobicContact CB-CZ2 4.03Å; C613-W617 HydrophobicContact CB-CZ3 4.1Å; C613-W617 WeakPolarHBondContact O-CB 3.43Å; C613-W617 PolarHBondContact O-N 3.12Å; I614-W617 HydrophobicContact CG1-CE3 4.26Å; I614-W617 HydrophobicContact CG1-CZ3 4.4Å; E615-W617 VanDerWaalsContact C-N 3.26Å; E615-W617 PolarHBondContact O-N 3.16Å; W617-G620 CarbonylContact O-C 3.52Å; W617-V622 HydrophobicContact CB-CB 3.95Å; W617-V622 HydrophobicContact CB-CG1 3.95Å; W617-V622 HydrophobicContact CD2-CG1 4.09Å; W617-V622 HydrophobicContact CG-CB 4Å; W617-V622 HydrophobicContact CG-CG1 3.62Å; W617-Y623 WeakPolarHBondContact O-CB 3.25Å; W617-Y623 PolarHBondContact O-N 3.31Å; W617-F664 HydrophobicContact CE3-CZ 4.29Å; W617-F664 AromaticContact CZ3-CE1 3.85Å; W617-F664 HydrophobicContact CZ3-CE1 3.85Å; W617-F664 AromaticContact CZ3-CZ 3.82Å; W617-F664 HydrophobicContact CZ3-CZ 3.82Å
618K96.6Very high95.7Very high112 Ų11256.5 Ų56.549%0.48729%0.285SS..Hα-helixtrans-87.6-28.6173.7-77.1173.4177.6-176.30112.9I614 E615 Y616 G620 Y623I614-K618 HydrophobicContact CG2-CD 4.19Å; I614-K618 WeakPolarHBondContact O-CB 3.36Å; I614-K618 VanDerWaalsContact O-CG 3.25Å; I614-K618 WeakPolarHBondContact O-CG 3.41Å; I614-K618 PolarHBondContact O-N 3.41Å; I614-K618 VanDerWaalsContact O-N 3.12Å; E615-K618 WeakPolarHBondContact O-CB 3.25Å; E615-K618 PolarHBondContact O-N 3.48Å; Y616-K618 VanDerWaalsContact C-N 3.35Å; K618-G620 CarbonylContact C-O 3.54Å; K618-Y623 HydrophobicContact CD-CD2 4.38Å; K618-Y623 HydrophobicContact CD-CG 4.48Å; K618-Y623 VanDerWaalsContact CE-CE2 3.43Å; K618-Y623 HydrophobicContact CG-CD1 3.94Å; K618-Y623 HydrophobicContact CG-CD2 3.77Å; K618-Y623 HydrophobicContact CG-CE2 4.35Å; K618-Y623 HydrophobicContact CG-CG 3.54Å
619D95.3Very high95.7Very high145 Ų14554 Ų5478%0.77527%0.268SS*.Hα-helixtrans-71.9-24.2171-61.4-24.8000111.4E615E615-D619 PolarHBondContact O-N 2.9Å
620G93.3Very high95.8Very high42 Ų4254.3 Ų54.343%0.43327%0.269SS..SBendtrans-103.4-169.416700000113.5Y616 W617 K618Y616-G620 PolarHBondContact O-N 2.92Å; W617-G620 CarbonylContact O-C 3.52Å; K618-G620 CarbonylContact C-O 3.54Å
621D94.2Very high95.8Very high84 Ų8458.9 Ų58.945%0.44929%0.291SS..SBendtrans-91.6-2.7-177.869.511.2000114.6Y623 E624 K625D621-Y623 PolarHBondContact O-N 3.33Å; D621-E624 PolarHBondContact O-N 3.01Å; D621-K625 WeakPolarHBondContact O-CG 3.29Å; D621-K625 PolarHBondContact O-N 3.46Å; D621-K625 WeakPolarHBondContact OD1-CE 3.38Å; D621-K625 IonicContact OD1-NZ 3.68Å; D621-K625 PolarHBondContact OD1-NZ 3.49Å; D621-K625 WeakPolarHBondContact OD2-CE 3.37Å; D621-K625 IonicContact OD2-NZ 2.86Å; D621-K625 PolarHBondContact OD2-NZ 3.32Å
622V96.4Very high95.9Very high6 Ų658.3 Ų58.34%0.03628%0.284CS..Hα-helixtrans-63.3-44.9-174.91710000112I590 W617 E624 K625 L626I590-V622 HydrophobicContact CD1-CB 4.43Å; I590-V622 HydrophobicContact CD1-CG1 4.07Å; I590-V622 HydrophobicContact CD1-CG2 4.4Å; W617-V622 HydrophobicContact CB-CB 3.95Å; W617-V622 HydrophobicContact CB-CG1 3.95Å; W617-V622 HydrophobicContact CD2-CG1 4.09Å; W617-V622 HydrophobicContact CG-CB 4Å; W617-V622 HydrophobicContact CG-CG1 3.62Å; V622-E624 VanDerWaalsContact C-N 3.29Å; V622-E624 PolarHBondContact O-N 3.42Å; V622-K625 PolarHBondContact O-N 2.92Å; V622-L626 HydrophobicContact CG1-CD1 4.01Å; V622-L626 WeakPolarHBondContact O-CB 3.39Å; V622-L626 WeakPolarHBondContact O-CG 3.26Å; V622-L626 PolarHBondContact O-N 3.44Å
623Y97Very high96Very high47 Ų4757.6 Ų57.618%0.18428%0.28CS..Hα-helixtrans-65.9-35.1179.7-172.2-82.4000111.3I614 W617 K618 D621 S627 I632I614-Y623 HydrophobicContact CG2-CD2 4.09Å; I614-Y623 HydrophobicContact CG2-CE2 3.89Å; W617-Y623 WeakPolarHBondContact O-CB 3.25Å; W617-Y623 PolarHBondContact O-N 3.31Å; K618-Y623 HydrophobicContact CD-CD2 4.38Å; K618-Y623 HydrophobicContact CD-CG 4.48Å; K618-Y623 VanDerWaalsContact CE-CE2 3.43Å; K618-Y623 HydrophobicContact CG-CD1 3.94Å; K618-Y623 HydrophobicContact CG-CD2 3.77Å; K618-Y623 HydrophobicContact CG-CE2 4.35Å; K618-Y623 HydrophobicContact CG-CG 3.54Å; D621-Y623 PolarHBondContact O-N 3.33Å; Y623-S627 WeakPolarHBondContact CE1-OG 3.45Å; Y623-S627 WeakPolarHBondContact O-CB 3.25Å; Y623-S627 PolarHBondContact O-N 3.1Å; Y623-S627 PolarHBondContact O-OG 3.47Å; Y623-I632 HydrophobicContact CD1-CD1 4.46Å; Y623-I632 HydrophobicContact CD2-CD1 4.18Å; Y623-I632 HydrophobicContact CE1-CD1 4.2Å; Y623-I632 HydrophobicContact CE2-CD1 3.92Å; Y623-I632 HydrophobicContact CE2-CG2 4.1Å; Y623-I632 HydrophobicContact CG-CD1 4.44Å
624E96.3Very high96Very high103 Ų10360 Ų6048%0.48129%0.293SS..Hα-helixtrans-69.5-45.8176.7-151.6-148.1150.100111.3D621 V622 L626 S627 R628D621-E624 PolarHBondContact O-N 3.01Å; V622-E624 VanDerWaalsContact C-N 3.29Å; V622-E624 PolarHBondContact O-N 3.42Å; E624-L626 PolarHBondContact O-N 3Å; E624-S627 WeakPolarHBondContact O-CB 3.33Å; E624-S627 PolarHBondContact O-N 2.95Å; E624-S627 VanDerWaalsContact O-N 3.07Å; E624-R628 WeakPolarHBondContact O-CG 3.29Å; E624-R628 PolarHBondContact O-N 3.5Å; E624-R628 IonicContact OE1-CZ 3.78Å; E624-R628 IonicContact OE1-NE 2.74Å; E624-R628 PolarHBondContact OE1-NE 3.11Å; E624-R628 IonicContact OE1-NH2 2.74Å; E624-R628 PolarHBondContact OE1-NH2 3.07Å; E624-R628 IonicContact OE2-CZ 3.49Å; E624-R628 IonicContact OE2-NH2 3.77Å; E624-R628 PolarHBondContact OE2-NH2 3.14Å; E624-R628 VanDerWaalsContact OE2-NH2 3.14Å
625K96.4Very high95.8Very high77 Ų7759.9 Ų59.934%0.33529%0.292SS..Hα-helixtrans-56.4-47.3174.3-72.1168.3-177.9162.80111.7I590 D621 V622 S627 R628 S629I590-K625 HydrophobicContact CD1-CB 3.76Å; I590-K625 HydrophobicContact CD1-CD 3.84Å; I590-K625 HydrophobicContact CD1-CG 4.46Å; I590-K625 HydrophobicContact CG1-CB 4.1Å; D621-K625 WeakPolarHBondContact O-CG 3.29Å; D621-K625 PolarHBondContact O-N 3.46Å; D621-K625 WeakPolarHBondContact OD1-CE 3.38Å; D621-K625 IonicContact OD1-NZ 3.68Å; D621-K625 PolarHBondContact OD1-NZ 3.49Å; D621-K625 WeakPolarHBondContact OD2-CE 3.37Å; D621-K625 IonicContact OD2-NZ 2.86Å; D621-K625 PolarHBondContact OD2-NZ 3.32Å; V622-K625 PolarHBondContact O-N 2.92Å; K625-S627 VanDerWaalsContact C-N 3.32Å; K625-S627 PolarHBondContact O-N 2.82Å; K625-R628 PolarHBondContact O-N 3.42Å; K625-S629 PolarHBondContact O-N 3.39Å; K625-S629 VanDerWaalsContact O-N 3.14Å
626L95.8Very high95.5Very high0 Ų055.5 Ų55.50%027%0.273CS..Hα-helixtrans-61.5-38.4174.2-73.6170.4000112.6L589 I590 A593 V622 E624 R628 S629 K630 I632 I662 F664L589-L626 HydrophobicContact CB-CD1 4.34Å; L589-L626 HydrophobicContact CB-CD2 3.94Å; I590-L626 HydrophobicContact CB-CD2 4.42Å; I590-L626 HydrophobicContact CG1-CD2 3.78Å; I590-L626 HydrophobicContact CG1-CG 3.77Å; A593-L626 HydrophobicContact CB-CD2 4.3Å; V622-L626 HydrophobicContact CG1-CD1 4.01Å; V622-L626 WeakPolarHBondContact O-CB 3.39Å; V622-L626 WeakPolarHBondContact O-CG 3.26Å; V622-L626 PolarHBondContact O-N 3.44Å; E624-L626 PolarHBondContact O-N 3Å; L626-R628 VanDerWaalsContact C-N 3.31Å; L626-R628 PolarHBondContact O-N 3.29Å; L626-S629 WeakPolarHBondContact O-CB 3.43Å; L626-S629 PolarHBondContact O-N 3.35Å; L626-K630 PolarHBondContact O-N 3.08Å; L626-K630 VanDerWaalsContact O-O 3.14Å; L626-I632 HydrophobicContact CB-CD1 3.79Å; L626-I662 HydrophobicContact CD2-CD1 4.29Å; L626-F664 HydrophobicContact CD1-CZ 4.32Å
627S95.2Very high94.9Very high48 Ų4859.4 Ų59.434%0.33629%0.287SS..Hα-helixtrans-69.5-26.2178.7-600000113.4Y623 E624 K625 K630 I632Y623-S627 WeakPolarHBondContact CE1-OG 3.45Å; Y623-S627 WeakPolarHBondContact O-CB 3.25Å; Y623-S627 PolarHBondContact O-N 3.1Å; Y623-S627 PolarHBondContact O-OG 3.47Å; E624-S627 WeakPolarHBondContact O-CB 3.33Å; E624-S627 PolarHBondContact O-N 2.95Å; E624-S627 VanDerWaalsContact O-N 3.07Å; K625-S627 VanDerWaalsContact C-N 3.32Å; K625-S627 PolarHBondContact O-N 2.82Å; S627-K630 WeakPolarHBondContact CA-O 3.29Å; S627-I632 WeakPolarHBondContact OG-CD1 3.37Å
628R94Very high94.1Very high171 Ų17164.7 Ų64.765%0.64531%0.312SS*.Hα-helixtrans-76-32171-65170.8-173.2-175.34.4111.8E624 K625 L626E624-R628 WeakPolarHBondContact O-CG 3.29Å; E624-R628 PolarHBondContact O-N 3.5Å; E624-R628 IonicContact OE1-CZ 3.78Å; E624-R628 IonicContact OE1-NE 2.74Å; E624-R628 PolarHBondContact OE1-NE 3.11Å; E624-R628 IonicContact OE1-NH2 2.74Å; E624-R628 PolarHBondContact OE1-NH2 3.07Å; E624-R628 IonicContact OE2-CZ 3.49Å; E624-R628 IonicContact OE2-NH2 3.77Å; E624-R628 PolarHBondContact OE2-NH2 3.14Å; E624-R628 VanDerWaalsContact OE2-NH2 3.14Å; K625-R628 PolarHBondContact O-N 3.42Å; L626-R628 VanDerWaalsContact C-N 3.31Å; L626-R628 PolarHBondContact O-N 3.29Å
629S93Very high93.1Very high12 Ų1266.2 Ų66.28%0.08432%0.319CS..Hα-helixtrans-72.9-48.1175.3179.40000112.5A593 D594 K625 L626 V659A593-S629 WeakPolarHBondContact CB-OG 3.49Å; D594-S629 WeakPolarHBondContact OD1-CB 3.49Å; D594-S629 PolarHBondContact OD1-OG 2.92Å; K625-S629 PolarHBondContact O-N 3.39Å; K625-S629 VanDerWaalsContact O-N 3.14Å; L626-S629 WeakPolarHBondContact O-CB 3.43Å; L626-S629 PolarHBondContact O-N 3.35Å; S629-V659 WeakPolarHBondContact O-CB 3.23Å
630K95.9Very high92.4Very high6 Ų666.3 Ų66.33%0.02632%0.319CS..SBendtrans-149.9152.3-177.4-69-172.2-178.3-73.70112.5A593 V596 A598 L600 L626 S627 I632 V659 I662A593-K630 WeakPolarHBondContact O-CE 3.39Å; V596-K630 WeakPolarHBondContact O-CE 3.38Å; V596-K630 PolarHBondContact O-NZ 3.44Å; A598-K630 PolarHBondContact O-NZ 3.29Å; L600-K630 HydrophobicContact CB-CD 4.37Å; L626-K630 PolarHBondContact O-N 3.08Å; L626-K630 VanDerWaalsContact O-O 3.14Å; S627-K630 WeakPolarHBondContact CA-O 3.29Å; K630-I632 PolarHBondContact O-N 3.01Å; K630-V659 PolarHBondContact NZ-O 3.04Å; K630-I662 HydrophobicContact CB-CD1 3.89Å; K630-I662 HydrophobicContact CB-CG1 3.76Å; K630-I662 HydrophobicContact CD-CD1 4.33Å; K630-I662 HydrophobicContact CD-CG1 3.84Å; K630-I662 HydrophobicContact CG-CG1 4.36Å
631H96.6Very high92Very high101 Ų10168.7 Ų68.747%0.46832%0.319SS..EExtended strand (participates in β ladder)trans-67117.4173-66.4-74.6000111.3F633 T652 G660 A661 I662H631-F633 HydrophobicContact CB-CE2 3.97Å; H631-F633 WeakPolarHBondContact O-CD2 3.49Å; H631-T652 HydrophobicContact CB-CG2 3.78Å; H631-T652 VanDerWaalsContact CD2-CG2 3.43Å; H631-T652 WeakPolarHBondContact CD2-CG2 3.42Å; H631-G660 PolarHBondContact CD2-O 3.46Å; H631-G660 PolarHBondContact N-O 3.18Å; H631-G660 VanDerWaalsContact N-O 3.15Å; H631-A661 HydrophobicContact CB-CB 4.45Å; H631-A661 CarbonylContact O-C 3Å; H631-A661 VanDerWaalsContact O-CA 3.27Å; H631-A661 WeakPolarHBondContact O-CA 3.37Å; H631-I662 PolarHBondContact O-N 2.88Å
632I97.5Very high91.7Very high28 Ų2865.3 Ų65.314%0.14430%0.3CS..EExtended strand (participates in β ladder)trans-88.4126.4-175.8-57.5-177.6000111.8Y623 L626 S627 K630 I634 I662 F664Y623-I632 HydrophobicContact CD1-CD1 4.46Å; Y623-I632 HydrophobicContact CD2-CD1 4.18Å; Y623-I632 HydrophobicContact CE1-CD1 4.2Å; Y623-I632 HydrophobicContact CE2-CD1 3.92Å; Y623-I632 HydrophobicContact CE2-CG2 4.1Å; Y623-I632 HydrophobicContact CG-CD1 4.44Å; L626-I632 HydrophobicContact CB-CD1 3.79Å; S627-I632 WeakPolarHBondContact OG-CD1 3.37Å; K630-I632 PolarHBondContact O-N 3.01Å; I632-I634 HydrophobicContact CG2-CG1 4.36Å; I632-I662 HydrophobicContact CG1-CB 4.47Å; I632-F664 HydrophobicContact CD1-CE2 4.23Å; I632-F664 HydrophobicContact CG2-CD2 3.51Å; I632-F664 HydrophobicContact CG2-CE2 3.5Å
633F97.3Very high91.1Very high34 Ų3469.7 Ų69.715%0.14932%0.323CS..EExtended strand (participates in β ladder)trans-117.5151.1168.4-61.3-94000109.9H631 I645 E648 Y649 T652 A661 I662 L663 F664H631-F633 HydrophobicContact CB-CE2 3.97Å; H631-F633 WeakPolarHBondContact O-CD2 3.49Å; F633-I645 HydrophobicContact CB-CG2 4.21Å; F633-I645 HydrophobicContact CD1-CG2 4.2Å; F633-E648 HydrophobicContact CD1-CB 4.48Å; F633-E648 HydrophobicContact CE1-CB 3.7Å; F633-E648 HydrophobicContact CZ-CB 4.34Å; F633-Y649 HydrophobicContact CB-CD2 4.5Å; F633-Y649 AromaticContact CD2-CD2 3.85Å; F633-Y649 HydrophobicContact CD2-CD2 3.85Å; F633-Y649 HydrophobicContact CD2-CG 4.39Å; F633-Y649 HydrophobicContact CE2-CD2 4.48Å; F633-Y649 HydrophobicContact CG-CD2 4.4Å; F633-T652 HydrophobicContact CE2-CG2 4.3Å; F633-A661 HydrophobicContact CD2-CB 4.16Å; F633-A661 HydrophobicContact CE2-CB 3.97Å; F633-I662 PolarHBondContact N-O 3.48Å; F633-L663 HydrophobicContact CB-CD1 3.92Å; F633-F664 PolarHBondContact O-N 2.96Å
634I96.5Very high90.8Very high52 Ų5273.9 Ų73.927%0.26734%0.342SS..EExtended strand (participates in β ladder)trans-130.8132.6-177-56.3169.5000109M610 I614 I632 P636 F664M610-I634 HydrophobicContact CE-CG2 3.78Å; M610-I634 HydrophobicContact SD-CG2 4.32Å; I614-I634 HydrophobicContact CD1-CD1 3.98Å; I614-I634 HydrophobicContact CD1-CG1 4.14Å; I614-I634 HydrophobicContact CD1-CG2 4.29Å; I614-I634 HydrophobicContact CG2-CD1 4.16Å; I632-I634 HydrophobicContact CG2-CG1 4.36Å; I634-P636 VanDerWaalsContact O-CD 3.26Å; I634-P636 WeakPolarHBondContact O-CD 3.38Å; I634-F664 HydrophobicContact CG1-CB 4.39Å; I634-F664 HydrophobicContact CG1-CD2 4.16Å
635E94Very high90.6Very high5 Ų570.9 Ų70.92%0.02333%0.329CS..  trans-63.7116.1178.1-178-178.7167.400112.3Y607 F642 F664 A665 V666 G669 R670 V671Y607-E635 HydrophobicContact CE1-CG 4.2Å; Y607-E635 PolarHBondContact OH-OE1 3.4Å; E635-F642 HydrophobicContact CG-CD2 4.21Å; E635-F642 HydrophobicContact CG-CE2 4.05Å; E635-F664 WeakPolarHBondContact CB-O 3.25Å; E635-F664 PolarHBondContact N-O 3.1Å; E635-A665 WeakPolarHBondContact OE2-CA 3.27Å; E635-V666 PolarHBondContact OE2-N 3.38Å; E635-G669 WeakPolarHBondContact OE1-CA 3.45Å; E635-R670 WeakPolarHBondContact OE1-CB 3.43Å; E635-R670 PolarHBondContact OE1-N 3.21Å; E635-V671 HydrophobicContact CB-CG2 4.2Å; E635-V671 HydrophobicContact CG-CG2 4Å
636P89.8Confident90.3Very high17 Ų1767.9 Ų67.911%0.1132%0.316CS..  trans-77147174.233.5-37.3000111.6I634 E638 Q641 F642 I645I634-P636 VanDerWaalsContact O-CD 3.26Å; I634-P636 WeakPolarHBondContact O-CD 3.38Å; P636-E638 VanDerWaalsContact C-N 3.27Å; P636-E638 PolarHBondContact O-N 3.44Å; P636-Q641 HydrophobicContact CB-CB 3.98Å; P636-Q641 HydrophobicContact CG-CB 3.95Å; P636-F642 VanDerWaalsContact CG-CA 3.5Å; P636-F642 HydrophobicContact CG-CB 3.98Å; P636-F642 HydrophobicContact CG-CD2 4.25Å; P636-I645 HydrophobicContact CB-CD1 4.42Å; P636-I645 HydrophobicContact CG-CD1 4.03Å
637R84Confident90Very high156 Ų15672 Ų7259%0.58934%0.338SS*.SBendtrans-66.9-30.4172.5-61.6-177-170.7-175.46111.9Y607 R670Y607-R637 HydrophobicContact CD1-CG 3.84Å; Y607-R637 HydrophobicContact CE1-CG 3.92Å; Y607-R637 HydrophobicContact CG-CG 4.17Å; R637-R670 PolarHBondContact O-NE 3.41Å; R637-R670 PolarHBondContact O-NH2 2.83Å
638E80.9Confident90Very high113 Ų11373.4 Ų73.453%0.52834%0.339SS..SBendtrans-81.6138.2-175.8-67.2-178.1-168.700113.9P636 N640 Q641 F642P636-E638 VanDerWaalsContact C-N 3.27Å; P636-E638 PolarHBondContact O-N 3.44Å; E638-N640 PolarHBondContact O-N 3.07Å; E638-Q641 HydrophobicContact CB-CG 4.24Å; E638-Q641 VanDerWaalsContact CD-NE2 3.34Å; E638-Q641 PolarHBondContact OE2-NE2 3.38Å; E638-F642 PolarHBondContact O-N 2.95Å
639K76.5Confident90Very high144 Ų14465.2 Ų65.263%0.62631%0.309SS*.Hα-helixtrans-63.6-39.5-179.8-172.7-178.9177.6-173.80112.6F642K639-F642 PolarHBondContact O-N 3.46Å
640N79.9Confident90Very high146 Ų14670 Ų7078%0.78133%0.325SS*.Hα-helixtrans-71.1-36.8-170.6-59.66.7000111.7E638E638-N640 PolarHBondContact O-N 3.07Å
641Q85.5Confident89.8Confident93 Ų9377 Ų7744%0.43536%0.355SS..Hα-helixtrans-75.3-32.7177-54.4-172.527.200112.1P636 E638 N643 K644 I645P636-Q641 HydrophobicContact CB-CB 3.98Å; P636-Q641 HydrophobicContact CG-CB 3.95Å; E638-Q641 HydrophobicContact CB-CG 4.24Å; E638-Q641 VanDerWaalsContact CD-NE2 3.34Å; E638-Q641 PolarHBondContact OE2-NE2 3.38Å; Q641-N643 PolarHBondContact O-N 3.41Å; Q641-K644 PolarHBondContact O-N 3.38Å; Q641-I645 PolarHBondContact O-N 2.93Å
642F87Confident89.8Confident13 Ų1373.6 Ų73.66%0.05734%0.341CS..Hα-helixtrans-55.1-50.7-172.8-178.5-95.8000113.7E635 P636 E638 K639 K644 I645 F646 R670 V671 L675E635-F642 HydrophobicContact CG-CD2 4.21Å; E635-F642 HydrophobicContact CG-CE2 4.05Å; P636-F642 VanDerWaalsContact CG-CA 3.5Å; P636-F642 HydrophobicContact CG-CB 3.98Å; P636-F642 HydrophobicContact CG-CD2 4.25Å; E638-F642 PolarHBondContact O-N 2.95Å; K639-F642 PolarHBondContact O-N 3.46Å; F642-K644 PolarHBondContact O-N 3.41Å; F642-I645 PolarHBondContact O-N 2.97Å; F642-F646 HydrophobicContact CE1-CB 4.14Å; F642-F646 HydrophobicContact CE1-CG 4.35Å; F642-F646 HydrophobicContact CZ-CB 4.16Å; F642-F646 HydrophobicContact CZ-CD2 4.14Å; F642-F646 HydrophobicContact CZ-CG 4.29Å; F642-F646 WeakPolarHBondContact O-CB 3.11Å; F642-F646 PolarHBondContact O-N 3.37Å; F642-R670 HydrophobicContact CD1-CB 4.35Å; F642-R670 HydrophobicContact CD2-CB 3.82Å; F642-R670 VanDerWaalsContact CD2-CD 3.41Å; F642-R670 HydrophobicContact CD2-CG 4.26Å; F642-R670 HydrophobicContact CE1-CB 4.06Å; F642-R670 HydrophobicContact CE2-CB 3.49Å; F642-R670 VanDerWaalsContact CE2-CB 3.49Å; F642-R670 HydrophobicContact CE2-CG 4.4Å; F642-R670 HydrophobicContact CG-CB 4.25Å; F642-R670 VanDerWaalsContact CG-CD 3.43Å; F642-R670 HydrophobicContact CG-CG 4.49Å; F642-R670 HydrophobicContact CZ-CB 3.62Å; F642-V671 HydrophobicContact CE2-CG2 3.7Å; F642-V671 HydrophobicContact CZ-CG2 4.01Å; F642-L675 HydrophobicContact CE1-CD1 3.59Å; F642-L675 HydrophobicContact CZ-CD1 3.46Å; F642-L675 VanDerWaalsContact CZ-CD1 3.46Å
643N84.9Confident89.6Confident97 Ų9772.3 Ų72.352%0.51934%0.335SS..Hα-helixtrans-61.9-32.8-177-70.63.5000112.5Q641 N647Q641-N643 PolarHBondContact O-N 3.41Å; N643-N647 WeakPolarHBondContact O-CB 3.44Å; N643-N647 PolarHBondContact O-N 3.34Å; N643-N647 PolarHBondContact O-ND2 3.19Å; N643-N647 VanDerWaalsContact O-ND2 3.09Å
644K89.8Confident89.2Confident135 Ų13573.5 Ų73.559%0.58735%0.347SS*.Hα-helixtrans-67.7-57.4176.2179.5180172.1-178.50110.3Q641 F642 F646 N647 E648Q641-K644 PolarHBondContact O-N 3.38Å; F642-K644 PolarHBondContact O-N 3.41Å; K644-F646 VanDerWaalsContact C-N 3.31Å; K644-F646 PolarHBondContact O-N 3.04Å; K644-N647 PolarHBondContact O-N 2.98Å; K644-N647 VanDerWaalsContact O-N 3.14Å; K644-E648 WeakPolarHBondContact CE-OE1 3.48Å; K644-E648 HydrophobicContact CG-CG 4.5Å; K644-E648 IonicContact NZ-OE1 2.66Å; K644-E648 WeakPolarHBondContact O-CG 3.25Å; K644-E648 PolarHBondContact O-N 2.96Å
645I92.2Very high88.9Confident40 Ų4075.8 Ų75.821%0.20536%0.359CS..Hα-helixtrans-60.2-40.1-176.7-68179.7000111.4F633 P636 Q641 F642 E648 Y649F633-I645 HydrophobicContact CB-CG2 4.21Å; F633-I645 HydrophobicContact CD1-CG2 4.2Å; P636-I645 HydrophobicContact CB-CD1 4.42Å; P636-I645 HydrophobicContact CG-CD1 4.03Å; Q641-I645 PolarHBondContact O-N 2.93Å; F642-I645 PolarHBondContact O-N 2.97Å; I645-E648 PolarHBondContact O-N 3.16Å; I645-Y649 WeakPolarHBondContact O-CB 3.4Å; I645-Y649 PolarHBondContact O-N 3.13Å
646F90Very high88.3Confident15 Ų1582.2 Ų82.27%0.06639%0.389CS..Hα-helixtrans-65.8-40.6177.1-176.9-98000112.7F642 K644 R650 L663 L675 L677F642-F646 HydrophobicContact CE1-CB 4.14Å; F642-F646 HydrophobicContact CE1-CG 4.35Å; F642-F646 HydrophobicContact CZ-CB 4.16Å; F642-F646 HydrophobicContact CZ-CD2 4.14Å; F642-F646 HydrophobicContact CZ-CG 4.29Å; F642-F646 WeakPolarHBondContact O-CB 3.11Å; F642-F646 PolarHBondContact O-N 3.37Å; K644-F646 VanDerWaalsContact C-N 3.31Å; K644-F646 PolarHBondContact O-N 3.04Å; F646-R650 WeakPolarHBondContact O-CB 3.34Å; F646-R650 PolarHBondContact O-N 3.12Å; F646-L663 HydrophobicContact CD2-CD2 4.2Å; F646-L675 HydrophobicContact CD1-CD2 4.47Å; F646-L675 HydrophobicContact CD2-CD1 4.03Å; F646-L675 HydrophobicContact CE1-CD1 4.39Å; F646-L675 HydrophobicContact CE1-CD2 4.03Å; F646-L675 HydrophobicContact CE2-CB 4.36Å; F646-L675 HydrophobicContact CE2-CD1 3.77Å; F646-L675 HydrophobicContact CG-CD1 4.44Å; F646-L675 HydrophobicContact CZ-CB 3.97Å; F646-L675 HydrophobicContact CZ-CD1 3.97Å; F646-L675 HydrophobicContact CZ-CD2 4.19Å; F646-L675 HydrophobicContact CZ-CG 4.27Å; F646-L677 HydrophobicContact CE2-CD1 4.15Å; F646-L677 HydrophobicContact CE2-CD2 3.75Å; F646-L677 HydrophobicContact CE2-CG 4.18Å; F646-L677 HydrophobicContact CZ-CD1 4.43Å; F646-L677 HydrophobicContact CZ-CD2 3.52Å; F646-L677 HydrophobicContact CZ-CG 3.98Å
647N90.1Very high87.8Confident86 Ų8689.5 Ų89.546%0.4643%0.427SS..Hα-helixtrans-70.7-33.1176.8-76.3-23.8000112.4N643 K644 K651N643-N647 WeakPolarHBondContact O-CB 3.44Å; N643-N647 PolarHBondContact O-N 3.34Å; N643-N647 PolarHBondContact O-ND2 3.19Å; N643-N647 VanDerWaalsContact O-ND2 3.09Å; K644-N647 PolarHBondContact O-N 2.98Å; K644-N647 VanDerWaalsContact O-N 3.14Å; N647-K651 WeakPolarHBondContact O-CB 3.26Å; N647-K651 VanDerWaalsContact O-CG 3.29Å; N647-K651 WeakPolarHBondContact O-CG 3.43Å; N647-K651 PolarHBondContact O-N 3.02Å; N647-K651 VanDerWaalsContact O-N 3.08Å
648E94Very high88Confident77 Ų7784 Ų8436%0.3641%0.412SS..Hα-helixtrans-67.1-49.5172.8-70.7169.9163.300110.5F633 K644 I645 R650 K651 T652F633-E648 HydrophobicContact CD1-CB 4.48Å; F633-E648 HydrophobicContact CE1-CB 3.7Å; F633-E648 HydrophobicContact CZ-CB 4.34Å; K644-E648 WeakPolarHBondContact CE-OE1 3.48Å; K644-E648 HydrophobicContact CG-CG 4.5Å; K644-E648 IonicContact NZ-OE1 2.66Å; K644-E648 WeakPolarHBondContact O-CG 3.25Å; K644-E648 PolarHBondContact O-N 2.96Å; I645-E648 PolarHBondContact O-N 3.16Å; E648-R650 PolarHBondContact O-N 3.35Å; E648-K651 PolarHBondContact O-N 3.46Å; E648-T652 PolarHBondContact O-N 3.39Å; E648-T652 PolarHBondContact O-OG1 3.09Å
649Y95.6Very high88.4Confident0 Ų082.3 Ų82.30%041%0.409CS..Hα-helixtrans-52.3-51.5171.4166.4-96.9000112.1G599 L600 L601 F633 I645 K651 T652 A653 A661 L663 L677 A681G599-Y649 VanDerWaalsContact CA-OH 3.28Å; G599-Y649 WeakPolarHBondContact CA-OH 3.41Å; L600-Y649 PolarHBondContact N-OH 3.28Å; L601-Y649 HydrophobicContact CD2-CE1 3.99Å; L601-Y649 WeakPolarHBondContact CD2-OH 3.25Å; F633-Y649 HydrophobicContact CB-CD2 4.5Å; F633-Y649 AromaticContact CD2-CD2 3.85Å; F633-Y649 HydrophobicContact CD2-CD2 3.85Å; F633-Y649 HydrophobicContact CD2-CG 4.39Å; F633-Y649 HydrophobicContact CE2-CD2 4.48Å; F633-Y649 HydrophobicContact CG-CD2 4.4Å; I645-Y649 WeakPolarHBondContact O-CB 3.4Å; I645-Y649 PolarHBondContact O-N 3.13Å; Y649-K651 VanDerWaalsContact C-N 3.29Å; Y649-K651 PolarHBondContact O-N 3.4Å; Y649-T652 PolarHBondContact O-N 3.36Å; Y649-A653 HydrophobicContact CE1-CB 4.41Å; Y649-A653 HydrophobicContact CE2-CB 4.31Å; Y649-A653 VanDerWaalsContact O-CB 3.3Å; Y649-A653 WeakPolarHBondContact O-CB 3.49Å; Y649-A653 PolarHBondContact O-N 3.43Å; Y649-A661 HydrophobicContact CD2-CB 3.64Å; Y649-A661 HydrophobicContact CE2-CB 3.67Å; Y649-L663 HydrophobicContact CD1-CB 4.36Å; Y649-L663 HydrophobicContact CD1-CD2 3.96Å; Y649-L663 HydrophobicContact CD2-CB 3.67Å; Y649-L663 HydrophobicContact CE1-CB 4.34Å; Y649-L663 HydrophobicContact CE1-CD2 4.26Å; Y649-L663 HydrophobicContact CE2-CB 3.63Å; Y649-L663 HydrophobicContact CG-CB 4.05Å; Y649-L663 HydrophobicContact CG-CD2 4.17Å; Y649-L677 HydrophobicContact CE1-CD2 4.1Å; Y649-A681 WeakPolarHBondContact CE1-O 3.27Å; Y649-A681 PolarHBondContact OH-O 2.69Å
650R92.1Very high89.3Confident112 Ų11275.4 Ų75.442%0.42338%0.379SS..Hα-helixtrans-65-33.8-176.2-157.6-175.689.61545.4112.2F646 E648 C654 A681F646-R650 WeakPolarHBondContact O-CB 3.34Å; F646-R650 PolarHBondContact O-N 3.12Å; E648-R650 PolarHBondContact O-N 3.35Å; R650-C654 PolarHBondContact O-N 2.85Å; R650-C654 PolarHBondContact O-SG 3.42Å; R650-A681 HydrophobicContact CG-CB 3.93Å
651K92.7Very high90.1Very high154 Ų15468.5 Ų68.567%0.6734%0.342SS*.Hα-helixtrans-64.7-55.1171.4-76.5175.2179.5-174.30110.2N647 E648 Y649 A653 C654 I655N647-K651 WeakPolarHBondContact O-CB 3.26Å; N647-K651 VanDerWaalsContact O-CG 3.29Å; N647-K651 WeakPolarHBondContact O-CG 3.43Å; N647-K651 PolarHBondContact O-N 3.02Å; N647-K651 VanDerWaalsContact O-N 3.08Å; E648-K651 PolarHBondContact O-N 3.46Å; Y649-K651 VanDerWaalsContact C-N 3.29Å; Y649-K651 PolarHBondContact O-N 3.4Å; K651-A653 PolarHBondContact O-N 3.19Å; K651-C654 PolarHBondContact O-N 3.39Å; K651-I655 WeakPolarHBondContact O-CG1 3.43Å; K651-I655 PolarHBondContact O-N 3.21Å
652T95.1Very high90.7Very high28 Ų2864 Ų6417%0.17232%0.322CS..Hα-helixtrans-62-39.2-176.6-55.60000113H631 F633 E648 Y649 C654 S658 A661H631-T652 HydrophobicContact CB-CG2 3.78Å; H631-T652 VanDerWaalsContact CD2-CG2 3.43Å; H631-T652 WeakPolarHBondContact CD2-CG2 3.42Å; F633-T652 HydrophobicContact CE2-CG2 4.3Å; E648-T652 PolarHBondContact O-N 3.39Å; E648-T652 PolarHBondContact O-OG1 3.09Å; Y649-T652 PolarHBondContact O-N 3.36Å; T652-C654 VanDerWaalsContact C-N 3.3Å; T652-C654 PolarHBondContact O-N 3.02Å; T652-S658 PolarHBondContact O-OG 3.17Å; T652-A661 HydrophobicContact CG2-CB 4.11Å
653A93.1Very high91.1Very high1 Ų163.6 Ų63.61%0.00832%0.32CS..Hα-helixtrans-62-34.4177.100000113.3A598 Y649 K651 A661A598-A653 WeakPolarHBondContact CB-O 3.23Å; Y649-A653 HydrophobicContact CE1-CB 4.41Å; Y649-A653 HydrophobicContact CE2-CB 4.31Å; Y649-A653 VanDerWaalsContact O-CB 3.3Å; Y649-A653 WeakPolarHBondContact O-CB 3.49Å; Y649-A653 PolarHBondContact O-N 3.43Å; K651-A653 PolarHBondContact O-N 3.19Å; A653-A661 HydrophobicContact CB-CB 4.18Å
654C90.1Very high91.7Very high59 Ų5959 Ų5940%0.39930%0.295SS..THydrogen-bonded Turntrans-95.85.5-175.3-64.60000114.8R650 K651 T652 E656R650-C654 PolarHBondContact O-N 2.85Å; R650-C654 PolarHBondContact O-SG 3.42Å; K651-C654 PolarHBondContact O-N 3.39Å; T652-C654 VanDerWaalsContact C-N 3.3Å; T652-C654 PolarHBondContact O-N 3.02Å; C654-E656 PolarHBondContact O-N 2.68Å
655I90.1Very high92Very high100 Ų10052.5 Ų52.551%0.51327%0.267SS..  trans-74.1118.4174.5-68.8166.3000109.3K651 S658K651-I655 WeakPolarHBondContact O-CG1 3.43Å; K651-I655 PolarHBondContact O-N 3.21Å; I655-S658 VanDerWaalsContact O-CB 3.31Å; I655-S658 WeakPolarHBondContact O-CB 3.39Å; I655-S658 PolarHBondContact O-N 2.99Å; I655-S658 PolarHBondContact O-OG 2.94Å
656E80.7Confident92.1Very high141 Ų14150.9 Ų50.966%0.65926%0.259SS*.THydrogen-bonded Turntrans-53.4139.1170.6-70.3-179.7-153.800111.7C654 S658C654-E656 PolarHBondContact O-N 2.68Å; E656-S658 PolarHBondContact O-N 3.36Å
657N80.6Confident92.2Very high169 Ų16950.4 Ų50.490%0.90426%0.257SS*.THydrogen-bonded Turntrans58.411.5-178.4-50.6-63.8000115.3
658S86.5Confident92Very high40 Ų4052.1 Ų52.128%0.2826%0.257SS..SBendtrans-76.1161.8164.273.60000111.4T652 I655 E656 G660T652-S658 PolarHBondContact O-OG 3.17Å; I655-S658 VanDerWaalsContact O-CB 3.31Å; I655-S658 WeakPolarHBondContact O-CB 3.39Å; I655-S658 PolarHBondContact O-N 2.99Å; I655-S658 PolarHBondContact O-OG 2.94Å; E656-S658 PolarHBondContact O-N 3.36Å; S658-G660 PolarHBondContact O-N 2.78Å; S658-G660 PolarHBondContact OG-N 2.87Å
659V90.2Very high91.6Very high78 Ų7848.6 Ų48.647%0.47324%0.241SC..  trans-65.7-15.3168.5-60.50000112.8S629 K630S629-V659 WeakPolarHBondContact O-CB 3.23Å; K630-V659 PolarHBondContact NZ-O 3.04Å
660G94.7Very high91Very high0 Ų052.7 Ų52.70%026%0.257CS..  trans83.9-164.6-174.200000113.4A598 H631 S658A598-G660 WeakPolarHBondContact O-CA 3.2Å; H631-G660 PolarHBondContact CD2-O 3.46Å; H631-G660 PolarHBondContact N-O 3.18Å; H631-G660 VanDerWaalsContact N-O 3.15Å; S658-G660 PolarHBondContact O-N 2.78Å; S658-G660 PolarHBondContact OG-N 2.87Å
661A97Very high90.7Very high0 Ų047.4 Ų47.40%024%0.237CC..EExtended strand (participates in β ladder)trans-142.1152.4-170.900000112.7A598 G599 L600 H631 F633 Y649 T652 A653A598-A661 PolarHBondContact O-N 2.93Å; G599-A661 WeakPolarHBondContact CA-O 3.46Å; L600-A661 PolarHBondContact N-O 3.24Å; H631-A661 HydrophobicContact CB-CB 4.45Å; H631-A661 CarbonylContact O-C 3Å; H631-A661 VanDerWaalsContact O-CA 3.27Å; H631-A661 WeakPolarHBondContact O-CA 3.37Å; F633-A661 HydrophobicContact CD2-CB 4.16Å; F633-A661 HydrophobicContact CE2-CB 3.97Å; Y649-A661 HydrophobicContact CD2-CB 3.64Å; Y649-A661 HydrophobicContact CE2-CB 3.67Å; T652-A661 HydrophobicContact CG2-CB 4.11Å; A653-A661 HydrophobicContact CB-CB 4.18Å
662I97.4Very high90.2Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-108.9135170.3-74.1170.2000108.5A593 L600 I602 L626 K630 H631 I632 F633 F664A593-I662 HydrophobicContact CB-CD1 4.35Å; L600-I662 HydrophobicContact CB-CG1 4.27Å; L600-I662 HydrophobicContact CD2-CG1 4.15Å; L600-I662 CarbonylContact O-C 3.53Å; L600-I662 WeakPolarHBondContact O-CA 3.11Å; I602-I662 HydrophobicContact CD1-CD1 4.4Å; I602-I662 HydrophobicContact CD1-CG1 4.42Å; I602-I662 HydrophobicContact CD1-CG2 3.63Å; I602-I662 HydrophobicContact CG1-CG2 4.23Å; L626-I662 HydrophobicContact CD2-CD1 4.29Å; K630-I662 HydrophobicContact CB-CD1 3.89Å; K630-I662 HydrophobicContact CB-CG1 3.76Å; K630-I662 HydrophobicContact CD-CD1 4.33Å; K630-I662 HydrophobicContact CD-CG1 3.84Å; K630-I662 HydrophobicContact CG-CG1 4.36Å; H631-I662 PolarHBondContact O-N 2.88Å; I632-I662 HydrophobicContact CG1-CB 4.47Å; F633-I662 PolarHBondContact N-O 3.48Å; I662-F664 HydrophobicContact CG2-CD1 4.26Å; I662-F664 HydrophobicContact CG2-CD2 4.21Å; I662-F664 HydrophobicContact CG2-CE1 4.25Å; I662-F664 HydrophobicContact CG2-CE2 4.21Å; I662-F664 HydrophobicContact CG2-CG 4.25Å; I662-F664 HydrophobicContact CG2-CZ 4.23Å
663L96.6Very high89.2Confident3 Ų342.1 Ų42.12%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-115.3104.8164.7-178.354.7000110L600 L601 I602 F633 F646 Y649 A665 V671L600-L663 PolarHBondContact O-N 2.87Å; L601-L663 HydrophobicContact CD2-CB 4.03Å; L601-L663 HydrophobicContact CD2-CD2 4.28Å; I602-L663 PolarHBondContact N-O 2.6Å; F633-L663 HydrophobicContact CB-CD1 3.92Å; F646-L663 HydrophobicContact CD2-CD2 4.2Å; Y649-L663 HydrophobicContact CD1-CB 4.36Å; Y649-L663 HydrophobicContact CD1-CD2 3.96Å; Y649-L663 HydrophobicContact CD2-CB 3.67Å; Y649-L663 HydrophobicContact CE1-CB 4.34Å; Y649-L663 HydrophobicContact CE1-CD2 4.26Å; Y649-L663 HydrophobicContact CE2-CB 3.63Å; Y649-L663 HydrophobicContact CG-CB 4.05Å; Y649-L663 HydrophobicContact CG-CD2 4.17Å; L663-A665 PolarHBondContact O-N 2.98Å; L663-V671 HydrophobicContact CD2-CB 4.49Å; L663-V671 HydrophobicContact CD2-CG1 3.73Å; L663-V671 HydrophobicContact CD2-CG2 3.83Å; L663-V671 HydrophobicContact CG-CG1 4.47Å; L663-V671 HydrophobicContact CG-CG2 4.33Å
664F97.5Very high87.9Confident0 Ų043.2 Ų43.20%022%0.224CC..EExtended strand (participates in β ladder)trans-71.8122.1166.4-70.3-57.1000109.4L589 I602 F604 M610 I614 W617 L626 I632 F633 I634 E635 I662L589-F664 HydrophobicContact CD1-CE1 4.15Å; I602-F664 HydrophobicContact CB-CD1 3.73Å; I602-F664 HydrophobicContact CB-CE1 4.11Å; I602-F664 HydrophobicContact CD1-CD1 4.03Å; I602-F664 HydrophobicContact CD1-CE1 3.6Å; I602-F664 HydrophobicContact CD1-CZ 4.37Å; I602-F664 HydrophobicContact CG1-CD1 4.43Å; I602-F664 HydrophobicContact CG1-CE1 4.44Å; I602-F664 HydrophobicContact CG2-CD1 3.76Å; I602-F664 HydrophobicContact CG2-CE1 3.9Å; F604-F664 HydrophobicContact CE2-CB 4.44Å; F604-F664 AromaticContact CE2-CD1 3.63Å; F604-F664 HydrophobicContact CE2-CD1 3.63Å; F604-F664 HydrophobicContact CE2-CE1 4.21Å; F604-F664 HydrophobicContact CE2-CG 4.32Å; F604-F664 HydrophobicContact CZ-CD1 4.31Å; F604-F664 HydrophobicContact CZ-CE1 4.46Å; M610-F664 HydrophobicContact SD-CB 4.01Å; I614-F664 HydrophobicContact CD1-CB 4.06Å; I614-F664 HydrophobicContact CD1-CD2 3.71Å; I614-F664 HydrophobicContact CD1-CE2 4.26Å; I614-F664 HydrophobicContact CD1-CG 3.93Å; I614-F664 HydrophobicContact CG1-CD2 4.25Å; I614-F664 HydrophobicContact CG1-CE2 4.3Å; W617-F664 HydrophobicContact CE3-CZ 4.29Å; W617-F664 AromaticContact CZ3-CE1 3.85Å; W617-F664 HydrophobicContact CZ3-CE1 3.85Å; W617-F664 AromaticContact CZ3-CZ 3.82Å; W617-F664 HydrophobicContact CZ3-CZ 3.82Å; L626-F664 HydrophobicContact CD1-CZ 4.32Å; I632-F664 HydrophobicContact CD1-CE2 4.23Å; I632-F664 HydrophobicContact CG2-CD2 3.51Å; I632-F664 HydrophobicContact CG2-CE2 3.5Å; F633-F664 PolarHBondContact O-N 2.96Å; I634-F664 HydrophobicContact CG1-CB 4.39Å; I634-F664 HydrophobicContact CG1-CD2 4.16Å; E635-F664 WeakPolarHBondContact CB-O 3.25Å; E635-F664 PolarHBondContact N-O 3.1Å; I662-F664 HydrophobicContact CG2-CD1 4.26Å; I662-F664 HydrophobicContact CG2-CD2 4.21Å; I662-F664 HydrophobicContact CG2-CE1 4.25Å; I662-F664 HydrophobicContact CG2-CE2 4.21Å; I662-F664 HydrophobicContact CG2-CG 4.25Å; I662-F664 HydrophobicContact CG2-CZ 4.23Å
665A95.7Very high87Confident0 Ų042.2 Ų42.20%022%0.215CC..EExtended strand (participates in β ladder)trans-138.6171.7-169.200000111.6I602 F603 F604 E635 L663 V671I602-A665 PolarHBondContact O-N 3.3Å; F603-A665 WeakPolarHBondContact CA-O 3.26Å; F603-A665 HydrophobicContact CD1-CB 3.57Å; F603-A665 HydrophobicContact CE1-CB 3.66Å; F603-A665 HydrophobicContact CG-CB 4.33Å; F603-A665 HydrophobicContact CZ-CB 4.48Å; F604-A665 PolarHBondContact N-O 3.12Å; E635-A665 WeakPolarHBondContact OE2-CA 3.27Å; L663-A665 PolarHBondContact O-N 2.98Å; A665-V671 HydrophobicContact CB-CB 3.76Å; A665-V671 HydrophobicContact CB-CG1 3.96Å; A665-V671 HydrophobicContact CB-CG2 3.87Å
666V94.5Very high86.1Confident6 Ų641.8 Ų41.84%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-120.2139.3179.1179.10000111F604 Y607 M610 E635 G669F604-V666 WeakPolarHBondContact O-CA 3.34Å; Y607-V666 HydrophobicContact CD1-CB 4.46Å; Y607-V666 HydrophobicContact CD1-CG2 3.56Å; Y607-V666 HydrophobicContact CD2-CB 4.42Å; Y607-V666 HydrophobicContact CD2-CG1 4.18Å; Y607-V666 HydrophobicContact CD2-CG2 4.14Å; Y607-V666 HydrophobicContact CE1-CB 4.31Å; Y607-V666 HydrophobicContact CE1-CG2 3.78Å; Y607-V666 HydrophobicContact CE2-CB 4.28Å; Y607-V666 HydrophobicContact CE2-CG1 4.26Å; Y607-V666 HydrophobicContact CE2-CG2 4.34Å; Y607-V666 HydrophobicContact CG-CG2 3.76Å; M610-V666 HydrophobicContact CE-CG2 3.96Å; M610-V666 HydrophobicContact SD-CG2 3.96Å; E635-V666 PolarHBondContact OE2-N 3.38Å; V666-G669 VanDerWaalsContact O-CA 3.25Å; V666-G669 WeakPolarHBondContact O-CA 3.37Å; V666-G669 PolarHBondContact O-N 3.44Å
667M92.4Very high86.2Confident5 Ų535.1 Ų35.13%0.02518%0.182CC..THydrogen-bonded Turntrans-69.1130.6170.9-66.9-176.1-96.500109.6F603 F604 P605 G669 I687 G689 P691 I746 A749F603-M667 HydrophobicContact CB-CG 3.76Å; F603-M667 HydrophobicContact CG-CG 4.41Å; F604-M667 PolarHBondContact O-N 3.2Å; P605-M667 HydrophobicContact CG-CE 3.91Å; M667-G669 PolarHBondContact O-N 2.92Å; M667-I687 HydrophobicContact CE-CG2 3.94Å; M667-I687 HydrophobicContact SD-CD1 4.33Å; M667-I687 HydrophobicContact SD-CG2 3.96Å; M667-G689 WeakPolarHBondContact CE-O 3.36Å; M667-P691 HydrophobicContact CB-CB 3.98Å; M667-P691 HydrophobicContact CB-CG 4.23Å; M667-P691 HydrophobicContact CE-CB 4.05Å; M667-P691 HydrophobicContact CE-CG 4.13Å; M667-P691 HydrophobicContact SD-CB 4.01Å; M667-P691 HydrophobicContact SD-CG 3.61Å; M667-I746 HydrophobicContact SD-CG1 3.91Å; M667-A749 HydrophobicContact CG-CB 4.11Å
668R84.9Confident86.4Confident121 Ų12128.4 Ų28.446%0.45715%0.15SC..THydrogen-bonded Turntrans66.89.7-162.5-42.9174.8179.3-168.8-3.6113.9S672 Q741 A745R668-S672 WeakPolarHBondContact CA-OG 3.23Å; R668-S672 PolarHBondContact N-OG 3.32Å; R668-Q741 PolarHBondContact NH2-O 3.25Å; R668-A745 HydrophobicContact CG-CB 3.73Å
669G85.4Confident86.5Confident3 Ų329.1 Ų29.13%0.03115%0.151CC..SBendtrans-81.9171.3164.100000111.8E635 V666 M667 V671 S672 E673E635-G669 WeakPolarHBondContact OE1-CA 3.45Å; V666-G669 VanDerWaalsContact O-CA 3.25Å; V666-G669 WeakPolarHBondContact O-CA 3.37Å; V666-G669 PolarHBondContact O-N 3.44Å; M667-G669 PolarHBondContact O-N 2.92Å; G669-V671 PolarHBondContact O-N 3.01Å; G669-S672 PolarHBondContact N-OG 2.72Å; G669-S672 PolarHBondContact O-N 3.23Å; G669-S672 PolarHBondContact O-OG 3.17Å; G669-E673 PolarHBondContact O-N 3.4Å
670R84.2Confident86.6Confident87 Ų8727.2 Ų27.233%0.32814%0.138SC..THydrogen-bonded Turntrans-58.7-32-175.7-58.7174-173.5-72.6-5.8112.7E635 R637 F642 S672 E673 L675E635-R670 WeakPolarHBondContact OE1-CB 3.43Å; E635-R670 PolarHBondContact OE1-N 3.21Å; R637-R670 PolarHBondContact O-NE 3.41Å; R637-R670 PolarHBondContact O-NH2 2.83Å; F642-R670 HydrophobicContact CD1-CB 4.35Å; F642-R670 HydrophobicContact CD2-CB 3.82Å; F642-R670 VanDerWaalsContact CD2-CD 3.41Å; F642-R670 HydrophobicContact CD2-CG 4.26Å; F642-R670 HydrophobicContact CE1-CB 4.06Å; F642-R670 HydrophobicContact CE2-CB 3.49Å; F642-R670 VanDerWaalsContact CE2-CB 3.49Å; F642-R670 HydrophobicContact CE2-CG 4.4Å; F642-R670 HydrophobicContact CG-CB 4.25Å; F642-R670 VanDerWaalsContact CG-CD 3.43Å; F642-R670 HydrophobicContact CG-CG 4.49Å; F642-R670 HydrophobicContact CZ-CB 3.62Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-E673 PolarHBondContact O-N 3.48Å; R670-L675 WeakPolarHBondContact O-CD1 3.47Å
671V85Confident86.4Confident0 Ų027.4 Ų27.40%014%0.139CC..THydrogen-bonded Turntrans-70.2-30178-174.90000111.7F603 E635 F642 L663 A665 G669F603-V671 HydrophobicContact CE1-CB 4.02Å; F603-V671 HydrophobicContact CE1-CG1 3.93Å; F603-V671 HydrophobicContact CZ-CB 4.5Å; F603-V671 HydrophobicContact CZ-CG1 3.92Å; E635-V671 HydrophobicContact CB-CG2 4.2Å; E635-V671 HydrophobicContact CG-CG2 4Å; F642-V671 HydrophobicContact CE2-CG2 3.7Å; F642-V671 HydrophobicContact CZ-CG2 4.01Å; L663-V671 HydrophobicContact CD2-CB 4.49Å; L663-V671 HydrophobicContact CD2-CG1 3.73Å; L663-V671 HydrophobicContact CD2-CG2 3.83Å; L663-V671 HydrophobicContact CG-CG1 4.47Å; L663-V671 HydrophobicContact CG-CG2 4.33Å; A665-V671 HydrophobicContact CB-CB 3.76Å; A665-V671 HydrophobicContact CB-CG1 3.96Å; A665-V671 HydrophobicContact CB-CG2 3.87Å; G669-V671 PolarHBondContact O-N 3.01Å
672S82.4Confident86.1Confident0 Ų027.4 Ų27.40%014%0.14CC..THydrogen-bonded Turntrans-82.9-10.9179.870.30000114R668 G669 R670 R752R668-S672 WeakPolarHBondContact CA-OG 3.23Å; R668-S672 PolarHBondContact N-OG 3.32Å; G669-S672 PolarHBondContact N-OG 2.72Å; G669-S672 PolarHBondContact O-N 3.23Å; G669-S672 PolarHBondContact O-OG 3.17Å; R670-S672 VanDerWaalsContact C-N 3.31Å; S672-R752 VanDerWaalsContact O-CZ 3.23Å; S672-R752 PolarHBondContact O-NE 3.45Å; S672-R752 PolarHBondContact O-NH2 3.31Å
673E74.3Confident86Confident71 Ų7127.5 Ų27.533%0.33214%0.14SC..SBendtrans-111.3153.5176.5-67.7-158.3124.700111.8R117 G669 R670 L675R117-E673 IonicContact CZ-OE1 3.81Å; R117-E673 IonicContact NH1-OE1 3.96Å; R117-E673 PolarHBondContact NH1-OE1 3.44Å; G669-E673 PolarHBondContact O-N 3.4Å; R670-E673 PolarHBondContact O-N 3.48Å; E673-L675 WeakPolarHBondContact O-CG 3.32Å; E673-L675 PolarHBondContact O-N 3.31Å
674G65.3Low85.9Confident25 Ų2527.3 Ų27.326%0.25814%0.139SC..SBendtrans58.9-1156.500000120.5Q124Q124-G674 PolarHBondContact NE2-O 2.71Å; Q124-G674 PolarHBondContact OE1-O 3.31Å
675L71Confident85.8Confident38 Ų3827.3 Ų27.320%0.19914%0.139CC..  trans-116.5148.3-170.3-66.8168.4000113.6F642 F646 R670 E673 R752 R755F642-L675 HydrophobicContact CE1-CD1 3.59Å; F642-L675 HydrophobicContact CZ-CD1 3.46Å; F642-L675 VanDerWaalsContact CZ-CD1 3.46Å; F646-L675 HydrophobicContact CD1-CD2 4.47Å; F646-L675 HydrophobicContact CD2-CD1 4.03Å; F646-L675 HydrophobicContact CE1-CD1 4.39Å; F646-L675 HydrophobicContact CE1-CD2 4.03Å; F646-L675 HydrophobicContact CE2-CB 4.36Å; F646-L675 HydrophobicContact CE2-CD1 3.77Å; F646-L675 HydrophobicContact CG-CD1 4.44Å; F646-L675 HydrophobicContact CZ-CB 3.97Å; F646-L675 HydrophobicContact CZ-CD1 3.97Å; F646-L675 HydrophobicContact CZ-CD2 4.19Å; F646-L675 HydrophobicContact CZ-CG 4.27Å; R670-L675 WeakPolarHBondContact O-CD1 3.47Å; E673-L675 WeakPolarHBondContact O-CG 3.32Å; E673-L675 PolarHBondContact O-N 3.31Å; L675-R752 PolarHBondContact O-NH1 2.79Å; L675-R755 PolarHBondContact O-NH1 3.16Å; L675-R755 PolarHBondContact O-NH2 3.03Å
676D71.4Confident85.9Confident90 Ų9027.3 Ų27.348%0.48114%0.139SC..  trans-107.4127.7179.7-153.236.3000113R755D676-R755 WeakPolarHBondContact OD1-CD 3.32Å; D676-R755 WeakPolarHBondContact OD1-CG 3.18Å; D676-R755 IonicContact OD1-CZ 2.61Å; D676-R755 VanDerWaalsContact OD1-CZ 3.25Å; D676-R755 IonicContact OD1-NE 2.75Å; D676-R755 PolarHBondContact OD1-NE 3.26Å; D676-R755 IonicContact OD1-NH1 2.92Å; D676-R755 PolarHBondContact OD1-NH1 2.86Å
677L83.2Confident86.1Confident1 Ų127 Ų271%0.00514%0.138CC..  trans-143.977.5-171.5-68.8170.7000105.9L601 F646 Y649 A681 R755L601-L677 HydrophobicContact CD1-CD1 3.61Å; L601-L677 HydrophobicContact CD2-CD1 3.95Å; L601-L677 HydrophobicContact CG-CD1 4.43Å; F646-L677 HydrophobicContact CE2-CD1 4.15Å; F646-L677 HydrophobicContact CE2-CD2 3.75Å; F646-L677 HydrophobicContact CE2-CG 4.18Å; F646-L677 HydrophobicContact CZ-CD1 4.43Å; F646-L677 HydrophobicContact CZ-CD2 3.52Å; F646-L677 HydrophobicContact CZ-CG 3.98Å; Y649-L677 HydrophobicContact CE1-CD2 4.1Å; L677-A681 HydrophobicContact CB-CB 4.28Å; L677-A681 HydrophobicContact CD2-CB 3.83Å; L677-R755 VanDerWaalsContact O-CG 3.27Å; L677-R755 WeakPolarHBondContact O-CG 3.42Å; L677-R755 PolarHBondContact O-NE 3.46Å
678A84.2Confident86.3Confident28 Ų2826.8 Ų26.823%0.23114%0.136CC..  trans-88.9154.9176.500000110.5N680 A681 R755A678-N680 PolarHBondContact O-N 3.32Å; A678-A681 WeakPolarHBondContact O-CB 3.47Å; A678-A681 PolarHBondContact O-N 3.01Å; A678-A681 VanDerWaalsContact O-N 3.13Å; A678-R755 VanDerWaalsContact CA-CG 3.49Å; A678-R755 HydrophobicContact CB-CB 3.74Å; A678-R755 HydrophobicContact CB-CG 3.76Å
679D89.3Confident86.8Confident55 Ų5521 Ų2129%0.29412%0.115SC..G310 helixtrans50.9-123.5171.8-71-56.3000113.6A681 G682 R683 H756 D759D679-A681 PolarHBondContact O-N 2.79Å; D679-A681 VanDerWaalsContact O-N 3.12Å; D679-G682 PolarHBondContact O-N 2.97Å; D679-R683 VanDerWaalsContact C-CZ 3.5Å; D679-R683 VanDerWaalsContact CA-CZ 3.41Å; D679-R683 VanDerWaalsContact CB-NH2 3.27Å; D679-R683 IonicContact OD1-CZ 2.71Å; D679-R683 IonicContact OD1-NH1 2.87Å; D679-R683 IonicContact OD1-NH2 2.67Å; D679-R683 PolarHBondContact OD1-NH2 2.94Å; D679-H756 IonicContact OD1-CE1 2.67Å; D679-H756 IonicContact OD2-CE1 3.83Å; D679-H756 PolarHBondContact OD2-CE1 2.74Å; D679-H756 IonicContact OD2-NE2 2.71Å; D679-H756 PolarHBondContact OD2-NE2 3.44Å; D679-D759 PolarHBondContact N-OD1 3.34Å
680N91.9Very high87.3Confident39 Ų3921.4 Ų21.421%0.20912%0.116CC..G310 helixtrans-68.3-12.6-173.4-64.8-15.1000113A598 G599 A678 G682 R683A598-N680 HydrophobicContact CB-CB 3.74Å; A598-N680 VanDerWaalsContact CB-O 3.27Å; A598-N680 WeakPolarHBondContact CB-O 3.49Å; G599-N680 WeakPolarHBondContact CA-O 3.43Å; G599-N680 PolarHBondContact N-O 2.99Å; A678-N680 PolarHBondContact O-N 3.32Å; N680-G682 PolarHBondContact O-N 3.44Å; N680-R683 PolarHBondContact OD1-NE 2.77Å; N680-R683 PolarHBondContact OD1-NH2 3.07Å
681A90.8Very high87.8Confident3 Ų317.5 Ų17.53%0.02510%0.102CC..G310 helixtrans-73-12.5174.900000113.8Y649 R650 L677 A678 D679Y649-A681 WeakPolarHBondContact CE1-O 3.27Å; Y649-A681 PolarHBondContact OH-O 2.69Å; R650-A681 HydrophobicContact CG-CB 3.93Å; L677-A681 HydrophobicContact CB-CB 4.28Å; L677-A681 HydrophobicContact CD2-CB 3.83Å; A678-A681 WeakPolarHBondContact O-CB 3.47Å; A678-A681 PolarHBondContact O-N 3.01Å; A678-A681 VanDerWaalsContact O-N 3.13Å; D679-A681 PolarHBondContact O-N 2.79Å; D679-A681 VanDerWaalsContact O-N 3.12Å
682G91.6Very high88.1Confident1 Ų120.8 Ų20.81%0.0112%0.115CC..  trans-170.268.3-179.100000113.7G599 D679 N680 G684 V753G599-G682 CarbonylContact O-C 3.56Å; G599-G682 WeakPolarHBondContact O-CA 3.11Å; D679-G682 PolarHBondContact O-N 2.97Å; N680-G682 PolarHBondContact O-N 3.44Å; G682-G684 VanDerWaalsContact C-N 3.34Å; G682-V753 WeakPolarHBondContact O-CG2 3.48Å
683R94.1Very high88.5Confident1 Ų121.9 Ų21.90%0.00412%0.124CC..SBendtrans-76-18.4178-71.7-67.2-178.8-147-5.9113.8V596 P597 A598 G599 D679 N680 D759 Y760 G761 I762 F804V596-R683 HydrophobicContact CG1-CB 4.32Å; P597-R683 HydrophobicContact CG-CB 4.36Å; P597-R683 HydrophobicContact CG-CG 4.35Å; A598-R683 HydrophobicContact CB-CG 4.49Å; G599-R683 PolarHBondContact O-N 3.39Å; D679-R683 VanDerWaalsContact C-CZ 3.5Å; D679-R683 VanDerWaalsContact CA-CZ 3.41Å; D679-R683 VanDerWaalsContact CB-NH2 3.27Å; D679-R683 IonicContact OD1-CZ 2.71Å; D679-R683 IonicContact OD1-NH1 2.87Å; D679-R683 IonicContact OD1-NH2 2.67Å; D679-R683 PolarHBondContact OD1-NH2 2.94Å; N680-R683 PolarHBondContact OD1-NE 2.77Å; N680-R683 PolarHBondContact OD1-NH2 3.07Å; R683-D759 IonicContact CZ-OD1 2.69Å; R683-D759 IonicContact NH1-OD1 2.65Å; R683-D759 PolarHBondContact NH1-OD1 2.82Å; R683-Y760 WeakPolarHBondContact CD-O 3.41Å; R683-Y760 PolarHBondContact NH1-O 3.43Å; R683-G761 CarbonylContact O-C 3.57Å; R683-G761 WeakPolarHBondContact O-CA 3.5Å; R683-I762 PolarHBondContact O-N 3.03Å; R683-F804 HydrophobicContact CB-CE1 3.99Å; R683-F804 HydrophobicContact CB-CZ 4.21Å; R683-F804 WeakPolarHBondContact O-CZ 3.4Å
684G95Very high89.3Confident0 Ų022 Ų220%013%0.13CC..EExtended strand (participates in β ladder)trans-141148176.100000113.7L601 G682 I762L601-G684 PolarHBondContact N-O 2.76Å; G682-G684 VanDerWaalsContact C-N 3.34Å; G684-I762 CarbonylContact C-O 3.55Å; G684-I762 WeakPolarHBondContact CA-O 3.44Å
685V95.8Very high90.5Very high0 Ų024.6 Ų24.60%014%0.138CC..EExtended strand (participates in β ladder)trans-127.5126.7175.3172.30000110.9L601 F603 I687 V750 V753 I762 I763 Y764L601-V685 HydrophobicContact CB-CG2 4.2Å; L601-V685 HydrophobicContact CD1-CG2 4.1Å; L601-V685 CarbonylContact O-C 3.53Å; L601-V685 WeakPolarHBondContact O-CA 3.3Å; F603-V685 HydrophobicContact CD2-CG1 3.91Å; F603-V685 HydrophobicContact CE2-CG1 4.11Å; V685-I687 HydrophobicContact CG1-CD1 3.85Å; V685-I687 HydrophobicContact CG1-CG1 4.23Å; V685-V750 HydrophobicContact CG1-CG2 4.49Å; V685-V753 HydrophobicContact CG2-CB 3.7Å; V685-V753 HydrophobicContact CG2-CG2 3.81Å; V685-I762 PolarHBondContact N-O 2.73Å; V685-I763 CarbonylContact O-C 3.48Å; V685-I763 WeakPolarHBondContact O-CA 3.44Å; V685-Y764 PolarHBondContact O-N 3.01Å
686F97.5Very high91.4Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-99.7134.1166.2-83.3-89.4000111.5L588 L589 L592 L600 L601 I602 F603 L688 Y764 C766L588-F686 HydrophobicContact CD2-CE1 4.49Å; L588-F686 HydrophobicContact CG-CE1 4.49Å; L589-F686 HydrophobicContact CD2-CD1 3.68Å; L589-F686 HydrophobicContact CD2-CD2 3.97Å; L589-F686 HydrophobicContact CD2-CE1 3.75Å; L589-F686 HydrophobicContact CD2-CE2 4.03Å; L589-F686 HydrophobicContact CD2-CG 3.81Å; L589-F686 HydrophobicContact CD2-CZ 3.93Å; L592-F686 HydrophobicContact CB-CE2 4.39Å; L592-F686 HydrophobicContact CB-CZ 3.67Å; L592-F686 HydrophobicContact CD1-CE1 4.05Å; L592-F686 HydrophobicContact CD1-CZ 3.77Å; L592-F686 HydrophobicContact CG-CZ 4.39Å; L600-F686 HydrophobicContact CD1-CD2 3.81Å; L600-F686 HydrophobicContact CD1-CE2 3.82Å; L600-F686 HydrophobicContact CD2-CD2 4.03Å; L600-F686 HydrophobicContact CD2-CE2 3.82Å; L600-F686 HydrophobicContact CG-CD2 4.12Å; L600-F686 HydrophobicContact CG-CE2 4.27Å; L601-F686 PolarHBondContact O-N 3.41Å; I602-F686 HydrophobicContact CB-CB 4.27Å; I602-F686 HydrophobicContact CG1-CB 4.15Å; I602-F686 HydrophobicContact CG1-CD2 4.07Å; I602-F686 HydrophobicContact CG1-CG 4.42Å; I602-F686 HydrophobicContact CG2-CB 4.02Å; F603-F686 PolarHBondContact N-O 3.41Å; F686-L688 HydrophobicContact CB-CD2 3.82Å; F686-L688 HydrophobicContact CB-CG 4.38Å; F686-L688 HydrophobicContact CD1-CD2 3.81Å; F686-L688 HydrophobicContact CG-CD2 4.23Å; F686-Y764 AromaticContact CD1-CD2 3.94Å; F686-Y764 HydrophobicContact CD1-CD2 3.94Å; F686-Y764 HydrophobicContact CD1-CG 4.11Å; F686-Y764 AromaticContact CD2-CD2 3.66Å; F686-Y764 HydrophobicContact CD2-CD2 3.66Å; F686-Y764 HydrophobicContact CD2-CE2 4.24Å; F686-Y764 AromaticContact CE1-CD2 3.57Å; F686-Y764 HydrophobicContact CE1-CD2 3.57Å; F686-Y764 HydrophobicContact CE1-CE2 4.28Å; F686-Y764 AromaticContact CE1-CG 3.72Å; F686-Y764 HydrophobicContact CE1-CG 3.72Å; F686-Y764 AromaticContact CE2-CD2 3.27Å; F686-Y764 HydrophobicContact CE2-CD2 3.27Å; F686-Y764 AromaticContact CE2-CE2 3.47Å; F686-Y764 HydrophobicContact CE2-CE2 3.47Å; F686-Y764 VanDerWaalsContact CE2-CE2 3.47Å; F686-Y764 HydrophobicContact CE2-CG 4.25Å; F686-Y764 AromaticContact CG-CD2 3.97Å; F686-Y764 HydrophobicContact CG-CD2 3.97Å; F686-Y764 AromaticContact CZ-CD2 3.2Å; F686-Y764 HydrophobicContact CZ-CD2 3.2Å; F686-Y764 AromaticContact CZ-CE2 3.5Å; F686-Y764 HydrophobicContact CZ-CE2 3.5Å; F686-Y764 VanDerWaalsContact CZ-CE2 3.5Å; F686-Y764 AromaticContact CZ-CG 3.78Å; F686-Y764 HydrophobicContact CZ-CG 3.78Å; F686-C766 VanDerWaalsContact CD1-SG 3.55Å
687I97.5Very high92.4Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-114.7102.1170.2-57.1-59.1000108.3F603 M667 V685 G689 I746 A749 V750 Y764 L765 C766 F770F603-I687 HydrophobicContact CB-CD1 4.11Å; F603-I687 HydrophobicContact CD2-CD1 4.16Å; F603-I687 HydrophobicContact CG-CD1 4.49Å; M667-I687 HydrophobicContact CE-CG2 3.94Å; M667-I687 HydrophobicContact SD-CD1 4.33Å; M667-I687 HydrophobicContact SD-CG2 3.96Å; V685-I687 HydrophobicContact CG1-CD1 3.85Å; V685-I687 HydrophobicContact CG1-CG1 4.23Å; I687-G689 WeakPolarHBondContact CG2-O 3.22Å; I687-G689 PolarHBondContact O-N 3.38Å; I687-G689 VanDerWaalsContact O-N 3.14Å; I687-I746 HydrophobicContact CG1-CG2 4.46Å; I687-I746 HydrophobicContact CG2-CG1 4.18Å; I687-I746 HydrophobicContact CG2-CG2 4.3Å; I687-A749 HydrophobicContact CD1-CB 3.93Å; I687-V750 HydrophobicContact CD1-CG2 3.68Å; I687-V750 HydrophobicContact CG1-CG2 3.56Å; I687-Y764 PolarHBondContact N-O 3.46Å; I687-L765 HydrophobicContact CB-CD2 3.7Å; I687-L765 HydrophobicContact CG1-CD2 3.61Å; I687-L765 HydrophobicContact CG2-CD2 4.29Å; I687-C766 PolarHBondContact O-N 2.92Å; I687-F770 HydrophobicContact CG2-CE2 4.32Å; I687-F770 HydrophobicContact CG2-CZ 3.78Å
688L96.9Very high92.9Very high0 Ų031.1 Ų31.10%017%0.168CC..  trans-91.864.8-170.9-54.7-167.3000111.9L585 L589 I602 F603 F604 P605 F686 C766L585-L688 HydrophobicContact CD1-CD1 4.24Å; L585-L688 HydrophobicContact CD1-CD2 4.01Å; L585-L688 HydrophobicContact CD1-CG 4.48Å; L585-L688 HydrophobicContact CD2-CD1 4.18Å; L585-L688 HydrophobicContact CG-CD1 4.34Å; L589-L688 HydrophobicContact CD1-CD1 4.24Å; L589-L688 HydrophobicContact CD2-CD2 4.47Å; I602-L688 HydrophobicContact CG2-CD1 3.45Å; I602-L688 VanDerWaalsContact CG2-CD1 3.45Å; I602-L688 HydrophobicContact CG2-CG 3.92Å; F603-L688 PolarHBondContact O-N 2.95Å; F604-L688 HydrophobicContact CD1-CB 4.41Å; F604-L688 HydrophobicContact CD1-CD1 4.26Å; F604-L688 HydrophobicContact CE1-CD1 3.8Å; F604-L688 HydrophobicContact CE2-CD1 4.36Å; F604-L688 HydrophobicContact CZ-CD1 3.87Å; P605-L688 WeakPolarHBondContact CD-O 3.42Å; P605-L688 WeakPolarHBondContact CG-O 3.5Å; F686-L688 HydrophobicContact CB-CD2 3.82Å; F686-L688 HydrophobicContact CB-CG 4.38Å; F686-L688 HydrophobicContact CD1-CD2 3.81Å; F686-L688 HydrophobicContact CG-CD2 4.23Å; L688-C766 HydrophobicContact CD2-CB 3.85Å
689G95.8Very high93.4Very high0 Ų031.8 Ų31.80%017%0.165CC..SBendtrans105.8-179-176.500000114.4M667 I687M667-G689 WeakPolarHBondContact CE-O 3.36Å; I687-G689 WeakPolarHBondContact CG2-O 3.22Å; I687-G689 PolarHBondContact O-N 3.38Å; I687-G689 VanDerWaalsContact O-N 3.14Å
690I95.2Very high93.7Very high10 Ų1030 Ų305%0.05116%0.156CC..  trans-102.9126-177.3-57.5173.3000110.2Y692 A742 W743 I746 R769 F770I690-Y692 HydrophobicContact CB-CD2 3.91Å; I690-Y692 HydrophobicContact CB-CE2 3.75Å; I690-Y692 HydrophobicContact CD1-CE2 4.26Å; I690-Y692 HydrophobicContact CG2-CD2 3.55Å; I690-Y692 HydrophobicContact CG2-CE2 3.29Å; I690-Y692 HydrophobicContact CG2-CG 4.29Å; I690-Y692 PolarHBondContact O-N 3.38Å; I690-A742 HydrophobicContact CG2-CB 3.75Å; I690-W743 HydrophobicContact CD1-CZ2 4.45Å; I690-I746 HydrophobicContact CG1-CD1 4.43Å; I690-I746 HydrophobicContact CG2-CD1 4.07Å; I690-R769 HydrophobicContact CD1-CB 3.81Å; I690-F770 HydrophobicContact CG1-CE1 4.05Å; I690-F770 HydrophobicContact CG1-CE2 4.19Å; I690-F770 HydrophobicContact CG1-CZ 3.73Å
691P94.7Very high93.9Very high6 Ų630.4 Ų30.44%0.03916%0.162CC..  trans-82.662.1-173.637.5-38.8000112.2P605 M667 A742 A745 I746P605-P691 HydrophobicContact CB-CB 4.49Å; M667-P691 HydrophobicContact CB-CB 3.98Å; M667-P691 HydrophobicContact CB-CG 4.23Å; M667-P691 HydrophobicContact CE-CB 4.05Å; M667-P691 HydrophobicContact CE-CG 4.13Å; M667-P691 HydrophobicContact SD-CB 4.01Å; M667-P691 HydrophobicContact SD-CG 3.61Å; P691-A742 HydrophobicContact CG-CB 4.44Å; P691-A742 WeakPolarHBondContact CG-O 3.27Å; P691-A745 HydrophobicContact CG-CB 3.86Å; P691-I746 HydrophobicContact CG-CD1 4.44Å; P691-I746 HydrophobicContact CG-CG1 3.96Å
692Y93.4Very high94.2Very high69 Ų6931.8 Ų31.827%0.27117%0.168SC..PPolyproline II helixtrans-64.1135.8171.4-75.7-72.5000111.2I690 Y738 N739 A742I690-Y692 HydrophobicContact CB-CD2 3.91Å; I690-Y692 HydrophobicContact CB-CE2 3.75Å; I690-Y692 HydrophobicContact CD1-CE2 4.26Å; I690-Y692 HydrophobicContact CG2-CD2 3.55Å; I690-Y692 HydrophobicContact CG2-CE2 3.29Å; I690-Y692 HydrophobicContact CG2-CG 4.29Å; I690-Y692 PolarHBondContact O-N 3.38Å; Y692-Y738 AromaticContact CD1-CD1 3.9Å; Y692-Y738 HydrophobicContact CD1-CD1 3.9Å; Y692-Y738 AromaticContact CD1-CE1 3.28Å; Y692-Y738 HydrophobicContact CD1-CE1 3.28Å; Y692-Y738 HydrophobicContact CD1-CE2 4.48Å; Y692-Y738 AromaticContact CD1-CZ 3.64Å; Y692-Y738 AromaticContact CE1-CD1 3.98Å; Y692-Y738 HydrophobicContact CE1-CD1 3.98Å; Y692-Y738 AromaticContact CE1-CE1 3.64Å; Y692-Y738 HydrophobicContact CE1-CE1 3.64Å; Y692-Y738 HydrophobicContact CG-CE1 4.2Å; Y692-N739 WeakPolarHBondContact CE1-OD1 3.25Å; Y692-N739 PolarHBondContact OH-OD1 3.38Å; Y692-A742 HydrophobicContact CD1-CB 3.9Å; Y692-A742 HydrophobicContact CE1-CB 4.1Å; Y692-A742 HydrophobicContact CG-CB 4.27Å
693A89.9Confident94.5Very high23 Ų2331.9 Ų31.919%0.1917%0.169CC..PPolyproline II helixtrans-66.2154.9167.600000110.2I695 V700 Y738A693-I695 PolarHBondContact O-N 2.71Å; A693-I695 VanDerWaalsContact O-N 3.12Å; A693-V700 HydrophobicContact CB-CG2 3.92Å; A693-Y738 WeakPolarHBondContact O-CE2 3.42Å; A693-Y738 PolarHBondContact O-OH 2.83Å; A693-Y738 VanDerWaalsContact O-OH 3.05Å
694P90.4Very high94.6Very high72 Ų7233.2 Ų33.247%0.46818%0.175SC..PPolyproline II helixtrans-61.5117.5177.5-20.632.8000110.7H696 D697P694-H696 PolarHBondContact O-N 2.87Å; P694-D697 HydrophobicContact CB-CB 4.29Å; P694-D697 WeakPolarHBondContact O-CB 3.22Å; P694-D697 PolarHBondContact O-N 3.48Å
695I90.6Very high94.6Very high81 Ų8135.4 Ų35.442%0.41519%0.193SC..THydrogen-bonded Turntrans-65.7-22.4-175.3-161.9167.3000113.5A693 Y738A693-I695 PolarHBondContact O-N 2.71Å; A693-I695 VanDerWaalsContact O-N 3.12Å; I695-Y738 HydrophobicContact CB-CE2 4.26Å; I695-Y738 HydrophobicContact CD1-CE1 4.42Å; I695-Y738 HydrophobicContact CG1-CE2 4.31Å
696H89.4Confident94.6Very high175 Ų17535.7 Ų35.781%0.8119%0.194SC*.THydrogen-bonded Turntrans-91.76.1175.1-55.9-62.9000113.3P694P694-H696 PolarHBondContact O-N 2.87Å
697D92.6Very high94.5Very high63 Ų6335.7 Ų35.734%0.33719%0.194SC..  trans-64.8129.5166.9178.4-80.5000109.2P694 R699 V700 S701P694-D697 HydrophobicContact CB-CB 4.29Å; P694-D697 WeakPolarHBondContact O-CB 3.22Å; P694-D697 PolarHBondContact O-N 3.48Å; D697-R699 VanDerWaalsContact C-N 3.27Å; D697-R699 PolarHBondContact O-N 3.34Å; D697-R699 WeakPolarHBondContact OD1-CA 3.38Å; D697-R699 WeakPolarHBondContact OD1-CB 3.32Å; D697-R699 PolarHBondContact OD1-N 2.59Å; D697-V700 HydrophobicContact CB-CB 4Å; D697-V700 HydrophobicContact CB-CG2 3.78Å; D697-V700 PolarHBondContact O-N 3.12Å; D697-V700 PolarHBondContact OD1-N 2.97Å; D697-S701 WeakPolarHBondContact O-CB 3.38Å; D697-S701 PolarHBondContact O-N 3.03Å; D697-S701 PolarHBondContact O-OG 3.03Å
698P94.2Very high94.4Very high28 Ų2838.7 Ų38.718%0.18221%0.211CC..Hα-helixtrans-60-34.8-178.1-27.335.9000113.5H463 W500 S701 L702H463-P698 VanDerWaalsContact CE1-CB 3.43Å; H463-P698 WeakPolarHBondContact CE1-CB 3.24Å; H463-P698 WeakPolarHBondContact NE2-CB 3.39Å; H463-P698 WeakPolarHBondContact NE2-CG 3.49Å; W500-P698 HydrophobicContact CH2-CB 4.32Å; W500-P698 HydrophobicContact CZ3-CB 4.21Å; P698-S701 WeakPolarHBondContact CA-OG 3.29Å; P698-S701 PolarHBondContact O-OG 2.93Å; P698-L702 WeakPolarHBondContact O-CB 3.27Å; P698-L702 WeakPolarHBondContact O-CD1 3.48Å; P698-L702 WeakPolarHBondContact O-CG 3.36Å; P698-L702 PolarHBondContact O-N 2.94Å
699R95.1Very high94.2Very high42 Ų4242.1 Ų42.116%0.15823%0.227CC..Hα-helixtrans-75.3-39.4180-165.9171.9175.9172.7-8.8111.6Q264 E267 D268 W500 F502 D697 K703Q264-R699 VanDerWaalsContact NE2-NH2 3.19Å; E267-R699 IonicContact OE2-NH2 2.73Å; D268-R699 IonicContact OD1-CZ 3.97Å; D268-R699 IonicContact OD1-NH1 3.79Å; D268-R699 PolarHBondContact OD1-NH1 3.15Å; D268-R699 IonicContact OD1-NH2 3.76Å; D268-R699 PolarHBondContact OD1-NH2 2.92Å; W500-R699 HydrophobicContact CD2-CB 4.45Å; W500-R699 HydrophobicContact CD2-CG 4.08Å; W500-R699 HydrophobicContact CE3-CB 4.04Å; W500-R699 HydrophobicContact CE3-CG 3.95Å; W500-R699 HydrophobicContact CH2-CB 3.87Å; W500-R699 HydrophobicContact CZ2-CB 4.29Å; W500-R699 HydrophobicContact CZ3-CB 3.73Å; W500-R699 HydrophobicContact CZ3-CG 4.17Å; F502-R699 HydrophobicContact CE1-CG 3.61Å; F502-R699 HydrophobicContact CZ-CG 4Å; D697-R699 VanDerWaalsContact C-N 3.27Å; D697-R699 PolarHBondContact O-N 3.34Å; D697-R699 WeakPolarHBondContact OD1-CA 3.38Å; D697-R699 WeakPolarHBondContact OD1-CB 3.32Å; D697-R699 PolarHBondContact OD1-N 2.59Å; R699-K703 VanDerWaalsContact O-CB 3.25Å; R699-K703 WeakPolarHBondContact O-CB 3.27Å; R699-K703 PolarHBondContact O-N 3.05Å
700V95.8Very high93.9Very high17 Ų1743.5 Ų43.510%0.10323%0.233CC..Hα-helixtrans-61-52.2174.1176.20000110.6A693 D697 L702 K703 M704 W737 Y738A693-V700 HydrophobicContact CB-CG2 3.92Å; D697-V700 HydrophobicContact CB-CB 4Å; D697-V700 HydrophobicContact CB-CG2 3.78Å; D697-V700 PolarHBondContact O-N 3.12Å; D697-V700 PolarHBondContact OD1-N 2.97Å; V700-L702 PolarHBondContact O-N 3.17Å; V700-K703 PolarHBondContact O-N 3.31Å; V700-M704 HydrophobicContact CG1-SD 4.15Å; V700-M704 VanDerWaalsContact O-CG 3.29Å; V700-M704 WeakPolarHBondContact O-CG 2.96Å; V700-M704 PolarHBondContact O-N 2.98Å; V700-W737 HydrophobicContact CG1-CZ3 4.25Å; V700-Y738 HydrophobicContact CG1-CD2 3.75Å; V700-Y738 HydrophobicContact CG1-CE2 3.93Å
701S96.1Very high93.6Very high48 Ų4845.4 Ų45.434%0.33624%0.241SC..Hα-helixtrans-64.9-39.3-17853.10000112.8D697 P698 M704 A705D697-S701 WeakPolarHBondContact O-CB 3.38Å; D697-S701 PolarHBondContact O-N 3.03Å; D697-S701 PolarHBondContact O-OG 3.03Å; P698-S701 WeakPolarHBondContact CA-OG 3.29Å; P698-S701 PolarHBondContact O-OG 2.93Å; S701-M704 PolarHBondContact O-N 3.24Å; S701-A705 PolarHBondContact O-N 3.4Å
702L96.8Very high93.3Very high31 Ų3149.7 Ų49.716%0.16227%0.267CS..Hα-helixtrans-72.6-33.9175.7-66.7172.4000113.4T373 R461 H463 W500 F502 P698 V700 A705 Y706T373-L702 HydrophobicContact CG2-CD1 3.63Å; T373-L702 HydrophobicContact CG2-CD2 3.82Å; T373-L702 HydrophobicContact CG2-CG 4.39Å; R461-L702 HydrophobicContact CB-CD1 4.45Å; H463-L702 HydrophobicContact CB-CD1 4.37Å; W500-L702 HydrophobicContact CE3-CD1 4.48Å; W500-L702 HydrophobicContact CZ3-CD1 4.32Å; F502-L702 HydrophobicContact CE2-CB 3.62Å; F502-L702 HydrophobicContact CZ-CB 3.57Å; P698-L702 WeakPolarHBondContact O-CB 3.27Å; P698-L702 WeakPolarHBondContact O-CD1 3.48Å; P698-L702 WeakPolarHBondContact O-CG 3.36Å; P698-L702 PolarHBondContact O-N 2.94Å; V700-L702 PolarHBondContact O-N 3.17Å; L702-A705 PolarHBondContact O-N 3.13Å; L702-Y706 VanDerWaalsContact O-CB 3.29Å; L702-Y706 WeakPolarHBondContact O-CB 3.21Å; L702-Y706 PolarHBondContact O-N 3.31Å
703K96.8Very high92.9Very high3 Ų349.4 Ų49.41%0.01327%0.267CS..Hα-helixtrans-63.2-42.4170.8176.161.5-171.4-164.50111.3E267 F502 E535 R699 V700 Y706 L707 W737E267-K703 WeakPolarHBondContact OE1-CE 3.5Å; E267-K703 IonicContact OE1-NZ 2.79Å; E267-K703 PolarHBondContact OE1-NZ 2.85Å; F502-K703 HydrophobicContact CB-CD 4.01Å; F502-K703 HydrophobicContact CD1-CB 3.64Å; F502-K703 HydrophobicContact CD1-CD 3.75Å; F502-K703 HydrophobicContact CD1-CG 4.21Å; F502-K703 HydrophobicContact CE1-CB 3.71Å; F502-K703 HydrophobicContact CG-CB 4.47Å; F502-K703 HydrophobicContact CG-CD 4.25Å; F502-K703 PolarHBondContact O-NZ 2.67Å; E535-K703 VanDerWaalsContact OE2-CE 3.27Å; E535-K703 WeakPolarHBondContact OE2-CE 3.46Å; E535-K703 IonicContact OE2-NZ 2.6Å; E535-K703 PolarHBondContact OE2-NZ 3.35Å; R699-K703 VanDerWaalsContact O-CB 3.25Å; R699-K703 WeakPolarHBondContact O-CB 3.27Å; R699-K703 PolarHBondContact O-N 3.05Å; V700-K703 PolarHBondContact O-N 3.31Å; K703-Y706 PolarHBondContact O-N 3.35Å; K703-L707 HydrophobicContact CD-CG 4.39Å; K703-L707 WeakPolarHBondContact O-CG 3.45Å; K703-L707 PolarHBondContact O-N 2.97Å; K703-W737 HydrophobicContact CB-CH2 4.01Å; K703-W737 HydrophobicContact CB-CZ2 4.41Å; K703-W737 HydrophobicContact CB-CZ3 4.22Å; K703-W737 HydrophobicContact CD-CZ2 4.48Å; K703-W737 HydrophobicContact CG-CD2 4.13Å; K703-W737 HydrophobicContact CG-CE3 4.14Å; K703-W737 HydrophobicContact CG-CH2 3.56Å; K703-W737 HydrophobicContact CG-CZ2 3.51Å; K703-W737 HydrophobicContact CG-CZ3 3.87Å
704M96.8Very high92.6Very high29 Ų2951.3 Ų51.314%0.14327%0.274CS..Hα-helixtrans-60.4-50.7175-69.8175.563.900111.5V700 S701 Y706 L707 D708 G734 W737 Y738V700-M704 HydrophobicContact CG1-SD 4.15Å; V700-M704 VanDerWaalsContact O-CG 3.29Å; V700-M704 WeakPolarHBondContact O-CG 2.96Å; V700-M704 PolarHBondContact O-N 2.98Å; S701-M704 PolarHBondContact O-N 3.24Å; M704-Y706 VanDerWaalsContact C-N 3.33Å; M704-Y706 PolarHBondContact O-N 3.48Å; M704-L707 PolarHBondContact O-N 3.47Å; M704-D708 PolarHBondContact O-N 3.37Å; M704-G734 WeakPolarHBondContact CG-O 3.47Å; M704-W737 HydrophobicContact CG-CE3 3.92Å; M704-W737 HydrophobicContact CG-CZ3 3.98Å; M704-Y738 HydrophobicContact CE-CG 4.35Å; M704-Y738 HydrophobicContact SD-CD2 3.84Å; M704-Y738 HydrophobicContact SD-CG 3.93Å
705A96.1Very high92.2Very high46 Ų4654.2 Ų54.238%0.3828%0.279SS..Hα-helixtrans-61.4-39.117800000112.6S701 L702 D708 E709S701-A705 PolarHBondContact O-N 3.4Å; L702-A705 PolarHBondContact O-N 3.13Å; A705-D708 PolarHBondContact O-N 2.83Å; A705-E709 WeakPolarHBondContact O-CB 3.31Å; A705-E709 PolarHBondContact O-N 2.81Å
706Y95.9Very high91.8Very high6 Ų654.5 Ų54.52%0.02429%0.288CS..Hα-helixtrans-61.1-45.4174.3173.2-96.5000112S458 F502 S503 L702 K703 M704 E709 Q710S458-Y706 WeakPolarHBondContact O-CE2 3.35Å; F502-Y706 HydrophobicContact CB-CD1 3.49Å; F502-Y706 VanDerWaalsContact CB-CD1 3.49Å; F502-Y706 HydrophobicContact CB-CD2 4.16Å; F502-Y706 HydrophobicContact CB-CE1 4.03Å; F502-Y706 HydrophobicContact CB-CG 3.57Å; F502-Y706 HydrophobicContact CG-CG 4.4Å; F502-Y706 WeakPolarHBondContact O-CD1 3.49Å; F502-Y706 WeakPolarHBondContact O-CE1 3.43Å; S503-Y706 WeakPolarHBondContact CB-OH 3.3Å; S503-Y706 PolarHBondContact OG-OH 2.76Å; L702-Y706 VanDerWaalsContact O-CB 3.29Å; L702-Y706 WeakPolarHBondContact O-CB 3.21Å; L702-Y706 PolarHBondContact O-N 3.31Å; K703-Y706 PolarHBondContact O-N 3.35Å; M704-Y706 VanDerWaalsContact C-N 3.33Å; M704-Y706 PolarHBondContact O-N 3.48Å; Y706-E709 WeakPolarHBondContact O-CB 3.47Å; Y706-E709 PolarHBondContact O-N 3.25Å; Y706-Q710 HydrophobicContact CD1-CG 4.26Å; Y706-Q710 HydrophobicContact CD2-CG 4.4Å; Y706-Q710 HydrophobicContact CE1-CG 3.71Å; Y706-Q710 HydrophobicContact CE2-CG 3.86Å; Y706-Q710 VanDerWaalsContact CZ-CG 3.48Å; Y706-Q710 WeakPolarHBondContact O-CG 3.47Å; Y706-Q710 PolarHBondContact O-N 2.96Å
707L94.7Very high91Very high0 Ų050.4 Ų50.40%027%0.272CS..Hα-helixtrans-63.1-43.7177.5-73.8175.7000112E535 K703 M704 E709 Q710 F711 Y731 P732 W737E535-L707 HydrophobicContact CG-CD2 4.19Å; K703-L707 HydrophobicContact CD-CG 4.39Å; K703-L707 WeakPolarHBondContact O-CG 3.45Å; K703-L707 PolarHBondContact O-N 2.97Å; M704-L707 PolarHBondContact O-N 3.47Å; L707-E709 VanDerWaalsContact C-N 3.34Å; L707-E709 PolarHBondContact O-N 2.92Å; L707-Q710 PolarHBondContact O-N 3.46Å; L707-F711 WeakPolarHBondContact O-CB 3.41Å; L707-F711 PolarHBondContact O-N 3.42Å; L707-Y731 HydrophobicContact CD2-CE1 3.63Å; L707-P732 HydrophobicContact CD1-CG 4.42Å; L707-P732 HydrophobicContact CD2-CG 4.39Å; L707-W737 HydrophobicContact CD1-CB 3.34Å; L707-W737 HydrophobicContact CD1-CD2 3.95Å; L707-W737 HydrophobicContact CD1-CG 3.39Å
708D94.9Very high89.7Confident64 Ų6449.6 Ų49.634%0.34227%0.272SS..Hα-helixtrans-64.2-38.1177-68.7-30.8000111.7M704 A705 V712 T733 G734M704-D708 PolarHBondContact O-N 3.37Å; A705-D708 PolarHBondContact O-N 2.83Å; D708-V712 WeakPolarHBondContact O-CG2 3.46Å; D708-V712 PolarHBondContact O-N 3.31Å; D708-T733 WeakPolarHBondContact OD1-CA 3.4Å; D708-T733 VanDerWaalsContact OD1-CB 3.29Å; D708-T733 WeakPolarHBondContact OD1-CB 3.48Å; D708-G734 PolarHBondContact OD1-N 2.92Å
709E93.1Very high87.8Confident72 Ų7253.9 Ų53.934%0.33630%0.297SS..Hα-helixtrans-59.3-46.7169.2-88.8-176.1-132.800113R461 A705 Y706 L707 V712 K713R461-E709 IonicContact CZ-OE1 2.79Å; R461-E709 IonicContact NH2-OE1 3.64Å; R461-E709 PolarHBondContact NH2-OE1 2.88Å; R461-E709 IonicContact NH2-OE2 3.71Å; R461-E709 PolarHBondContact NH2-OE2 3.36Å; A705-E709 WeakPolarHBondContact O-CB 3.31Å; A705-E709 PolarHBondContact O-N 2.81Å; Y706-E709 WeakPolarHBondContact O-CB 3.47Å; Y706-E709 PolarHBondContact O-N 3.25Å; L707-E709 VanDerWaalsContact C-N 3.34Å; L707-E709 PolarHBondContact O-N 2.92Å; E709-V712 PolarHBondContact O-N 3.18Å; E709-K713 WeakPolarHBondContact O-CD 3.5Å; E709-K713 WeakPolarHBondContact O-CG 3.49Å; E709-K713 PolarHBondContact O-N 3.44Å; E709-K713 IonicContact OE2-NZ 3.51Å; E709-K713 PolarHBondContact OE2-NZ 3.13Å
710Q89.8Confident86Confident29 Ų2961.1 Ų61.114%0.13633%0.332CS..Hα-helixtrans-68.1-39.4-179.6-63.5-48.5-36.800111.5Y706 L707 V712 K713 L714 Y731Y706-Q710 HydrophobicContact CD1-CG 4.26Å; Y706-Q710 HydrophobicContact CD2-CG 4.4Å; Y706-Q710 HydrophobicContact CE1-CG 3.71Å; Y706-Q710 HydrophobicContact CE2-CG 3.86Å; Y706-Q710 VanDerWaalsContact CZ-CG 3.48Å; Y706-Q710 WeakPolarHBondContact O-CG 3.47Å; Y706-Q710 PolarHBondContact O-N 2.96Å; L707-Q710 PolarHBondContact O-N 3.46Å; Q710-V712 VanDerWaalsContact C-N 3.33Å; Q710-V712 PolarHBondContact O-N 3.01Å; Q710-K713 VanDerWaalsContact NE2-NZ 3.12Å; Q710-K713 PolarHBondContact O-N 3.41Å; Q710-L714 WeakPolarHBondContact O-CB 3.29Å; Q710-L714 VanDerWaalsContact O-CG 3.3Å; Q710-L714 WeakPolarHBondContact O-CG 3.38Å; Q710-L714 PolarHBondContact O-N 2.8Å; Q710-Y731 HydrophobicContact CB-CE1 3.77Å
711F88.8Confident84.7Confident49 Ų4964 Ų6422%0.21535%0.348CS..Hα-helixtrans-58.2-44.4173.5-172.8-94.1000111.6L707 K715 I728 Y731 T733L707-F711 WeakPolarHBondContact O-CB 3.41Å; L707-F711 PolarHBondContact O-N 3.42Å; F711-K715 HydrophobicContact CE1-CD 4.39Å; F711-K715 VanDerWaalsContact O-CB 3.27Å; F711-K715 WeakPolarHBondContact O-CB 3.27Å; F711-K715 PolarHBondContact O-N 3.36Å; F711-I728 HydrophobicContact CE2-CG2 3.89Å; F711-I728 HydrophobicContact CZ-CG2 4.11Å; F711-Y731 HydrophobicContact CB-CD1 4.44Å; F711-T733 HydrophobicContact CD1-CG2 4.29Å; F711-T733 HydrophobicContact CD2-CG2 4.34Å; F711-T733 HydrophobicContact CE1-CG2 4.42Å; F711-T733 HydrophobicContact CE2-CG2 4.47Å; F711-T733 HydrophobicContact CG-CG2 4.25Å
712V88.9Confident83.5Confident96 Ų9669.4 Ų69.458%0.58237%0.367SS*.Hα-helixtrans-64.6-43.3173.9170.70000111.8D708 E709 Q710 K715 S716D708-V712 WeakPolarHBondContact O-CG2 3.46Å; D708-V712 PolarHBondContact O-N 3.31Å; E709-V712 PolarHBondContact O-N 3.18Å; Q710-V712 VanDerWaalsContact C-N 3.33Å; Q710-V712 PolarHBondContact O-N 3.01Å; V712-K715 PolarHBondContact O-N 3.22Å; V712-S716 WeakPolarHBondContact O-CB 3.19Å; V712-S716 PolarHBondContact O-N 3.49Å; V712-S716 PolarHBondContact O-OG 3.38Å
713K85.1Confident82.1Confident64 Ų6472.2 Ų72.228%0.27838%0.382SS..Hα-helixtrans-60.6-49.6177.5-71.8160.9-162.3167.10111.4E709 Q710 K715 S716 N717E709-K713 WeakPolarHBondContact O-CD 3.5Å; E709-K713 WeakPolarHBondContact O-CG 3.49Å; E709-K713 PolarHBondContact O-N 3.44Å; E709-K713 IonicContact OE2-NZ 3.51Å; E709-K713 PolarHBondContact OE2-NZ 3.13Å; Q710-K713 VanDerWaalsContact NE2-NZ 3.12Å; Q710-K713 PolarHBondContact O-N 3.41Å; K713-K715 PolarHBondContact O-N 2.97Å; K713-S716 PolarHBondContact O-N 2.89Å; K713-S716 VanDerWaalsContact O-N 3.16Å; K713-S716 PolarHBondContact O-OG 3.5Å; K713-N717 PolarHBondContact O-N 3.24Å; K713-N717 VanDerWaalsContact O-N 3.11Å; K713-N717 PolarHBondContact O-ND2 3.2Å
714L82.1Confident80.7Confident62 Ų6275 Ų7533%0.32540%0.395SS..Hα-helixtrans-57.3-48.8176.6-69.8168.3000111.2Q710 S716 N717 S718 I728 Y731Q710-L714 WeakPolarHBondContact O-CB 3.29Å; Q710-L714 VanDerWaalsContact O-CG 3.3Å; Q710-L714 WeakPolarHBondContact O-CG 3.38Å; Q710-L714 PolarHBondContact O-N 2.8Å; L714-S716 VanDerWaalsContact C-N 3.29Å; L714-S716 PolarHBondContact O-N 3.25Å; L714-N717 PolarHBondContact O-N 2.74Å; L714-N717 VanDerWaalsContact O-N 3.12Å; L714-S718 PolarHBondContact O-N 3.06Å; L714-I728 HydrophobicContact CB-CG1 3.8Å; L714-Y731 HydrophobicContact CD1-CD1 4.29Å; L714-Y731 HydrophobicContact CD1-CD2 3.65Å; L714-Y731 HydrophobicContact CD1-CE2 4.18Å; L714-Y731 HydrophobicContact CD1-CG 3.73Å
715K83.1Confident79.5Confident134 Ų13479.9 Ų79.958%0.58342%0.416SS*.Hα-helixtrans-65.8-25.8177.7-170.9172.9-178.9176.80113.9F711 V712 K713 S718F711-K715 HydrophobicContact CE1-CD 4.39Å; F711-K715 VanDerWaalsContact O-CB 3.27Å; F711-K715 WeakPolarHBondContact O-CB 3.27Å; F711-K715 PolarHBondContact O-N 3.36Å; V712-K715 PolarHBondContact O-N 3.22Å; K713-K715 PolarHBondContact O-N 2.97Å; K715-S718 PolarHBondContact O-OG 3.26Å; K715-S718 VanDerWaalsContact O-OG 3.13Å
716S81.4Confident78.5Confident87 Ų8781.3 Ų81.361%0.60842%0.42SS*.Hα-helixtrans-78.4-23.5173.474.60000113.6V712 K713 L714V712-S716 WeakPolarHBondContact O-CB 3.19Å; V712-S716 PolarHBondContact O-N 3.49Å; V712-S716 PolarHBondContact O-OG 3.38Å; K713-S716 PolarHBondContact O-N 2.89Å; K713-S716 VanDerWaalsContact O-N 3.16Å; K713-S716 PolarHBondContact O-OG 3.5Å; L714-S716 VanDerWaalsContact C-N 3.29Å; L714-S716 PolarHBondContact O-N 3.25Å
717N71.9Confident77.3Confident88 Ų8884.1 Ų84.147%0.47144%0.435SS..SBendtrans-94.50.6-178.5-72.3-24.9000113.5K713 L714 T719 Q724K713-N717 PolarHBondContact O-N 3.24Å; K713-N717 VanDerWaalsContact O-N 3.11Å; K713-N717 PolarHBondContact O-ND2 3.2Å; L714-N717 PolarHBondContact O-N 2.74Å; L714-N717 VanDerWaalsContact O-N 3.12Å; N717-T719 PolarHBondContact O-N 3.03Å; N717-T719 VanDerWaalsContact O-N 3.09Å; N717-Q724 PolarHBondContact O-NE2 3.29Å; N717-Q724 VanDerWaalsContact O-NE2 3.16Å; N717-Q724 PolarHBondContact O-OE1 3.02Å
718S65.7Low76.5Confident47 Ų4784.8 Ų84.833%0.32944%0.438SS..  trans-8381.2-173.664.10000113.3L714 K715 H720L714-S718 PolarHBondContact O-N 3.06Å; K715-S718 PolarHBondContact O-OG 3.26Å; K715-S718 VanDerWaalsContact O-OG 3.13Å; S718-H720 PolarHBondContact O-N 2.91Å; S718-H720 VanDerWaalsContact O-N 3.16Å
719T54Low75.8Confident117 Ų11787.3 Ų87.372%0.71845%0.452SS*.  trans-84.182.3174.853.60000111N717 D721N717-T719 PolarHBondContact O-N 3.03Å; N717-T719 VanDerWaalsContact O-N 3.09Å; T719-D721 PolarHBondContact O-N 3.11Å
720H58.8Low75.4Confident194 Ų19487.7 Ų87.790%0.89845%0.452SS*.SBendtrans59.4-10.2173-85.1-82.8000119.3S718 Q722S718-H720 PolarHBondContact O-N 2.91Å; S718-H720 VanDerWaalsContact O-N 3.16Å; H720-Q722 PolarHBondContact O-N 3.01Å
721D67.3Low75.3Confident79 Ų7987.6 Ų87.642%0.42245%0.451SS..  trans-67.4122.6178.1-178.514.9000112.3T719 L723 Q724 K725T719-D721 PolarHBondContact O-N 3.11Å; D721-L723 PolarHBondContact O-N 3.41Å; D721-L723 WeakPolarHBondContact OD1-CB 3.29Å; D721-L723 PolarHBondContact OD1-N 3.45Å; D721-L723 WeakPolarHBondContact OD2-CB 3.41Å; D721-Q724 HydrophobicContact CB-CB 4.36Å; D721-Q724 HydrophobicContact CB-CG 4.35Å; D721-Q724 PolarHBondContact O-N 2.94Å; D721-K725 PolarHBondContact O-N 3.4Å; D721-K725 VanDerWaalsContact O-N 3.17Å
722Q70.7Confident75.4Confident161 Ų16185.5 Ų85.575%0.75244%0.442SS*.Hα-helixtrans-58.9-33.5173.1-73.7-174.6-16.600111.9H720 K725 T726H720-Q722 PolarHBondContact O-N 3.01Å; Q722-K725 WeakPolarHBondContact O-CB 3.3Å; Q722-K725 PolarHBondContact O-N 2.92Å; Q722-K725 VanDerWaalsContact O-N 3.15Å; Q722-T726 PolarHBondContact O-N 3.25Å; Q722-T726 PolarHBondContact O-OG1 3.03Å
723L68.3Low75.7Confident89 Ų8982.5 Ų82.547%0.46642%0.424SS..Hα-helixtrans-69.5-41.7-175.9-134163.2000111.1D721 K725 T726 L727D721-L723 PolarHBondContact O-N 3.41Å; D721-L723 WeakPolarHBondContact OD1-CB 3.29Å; D721-L723 PolarHBondContact OD1-N 3.45Å; D721-L723 WeakPolarHBondContact OD2-CB 3.41Å; L723-K725 VanDerWaalsContact C-N 3.35Å; L723-T726 PolarHBondContact O-OG1 3.2Å; L723-L727 PolarHBondContact O-N 3.44Å
724Q66.6Low76.1Confident63 Ų6379.4 Ų79.429%0.29441%0.411SS..Hα-helixtrans-61.3-40.7167.6-75.3-176.1-47.700112.4N717 D721 T726 L727 I728N717-Q724 PolarHBondContact O-NE2 3.29Å; N717-Q724 VanDerWaalsContact O-NE2 3.16Å; N717-Q724 PolarHBondContact O-OE1 3.02Å; D721-Q724 HydrophobicContact CB-CB 4.36Å; D721-Q724 HydrophobicContact CB-CG 4.35Å; D721-Q724 PolarHBondContact O-N 2.94Å; Q724-T726 PolarHBondContact O-N 2.94Å; Q724-L727 WeakPolarHBondContact O-CB 3.2Å; Q724-L727 PolarHBondContact O-N 2.82Å; Q724-L727 VanDerWaalsContact O-N 3.1Å; Q724-I728 WeakPolarHBondContact O-CG1 3.37Å; Q724-I728 PolarHBondContact O-N 3.02Å
725K72.5Confident76.7Confident131 Ų13185.3 Ų85.357%0.5743%0.428SS*.Hα-helixtrans-60.5-47.1178.6-162.3-177.6179.1-172.90111.7D721 Q722 L723 L727 I728 D729D721-K725 PolarHBondContact O-N 3.4Å; D721-K725 VanDerWaalsContact O-N 3.17Å; Q722-K725 WeakPolarHBondContact O-CB 3.3Å; Q722-K725 PolarHBondContact O-N 2.92Å; Q722-K725 VanDerWaalsContact O-N 3.15Å; L723-K725 VanDerWaalsContact C-N 3.35Å; K725-L727 PolarHBondContact O-N 3.4Å; K725-I728 PolarHBondContact O-N 2.93Å; K725-I728 VanDerWaalsContact O-N 3.09Å; K725-D729 PolarHBondContact O-N 3.45Å
726T74.8Confident77.1Confident76 Ų7684.2 Ų84.247%0.46643%0.425SS..Hα-helixtrans-64.5-18.7175580000114.6Q722 L723 Q724 K730Q722-T726 PolarHBondContact O-N 3.25Å; Q722-T726 PolarHBondContact O-OG1 3.03Å; L723-T726 PolarHBondContact O-OG1 3.2Å; Q724-T726 PolarHBondContact O-N 2.94Å; T726-K730 WeakPolarHBondContact O-CG 3.42Å
727L71.9Confident77.7Confident65 Ų6581 Ų8134%0.3440%0.4SS..Hα-helixtrans-80.8-39.9170.4-87.8159.5000112L723 Q724 K725 K730 Y731L723-L727 PolarHBondContact O-N 3.44Å; Q724-L727 WeakPolarHBondContact O-CB 3.2Å; Q724-L727 PolarHBondContact O-N 2.82Å; Q724-L727 VanDerWaalsContact O-N 3.1Å; K725-L727 PolarHBondContact O-N 3.4Å; L727-K730 PolarHBondContact O-N 3.29Å; L727-Y731 PolarHBondContact O-N 3.37Å
728I77.8Confident78.8Confident14 Ų1478.3 Ų78.37%0.07238%0.384CS..Hα-helixtrans-62.5-45.9174.9-68.1157000110.7F711 L714 Q724 K725 K730 Y731F711-I728 HydrophobicContact CE2-CG2 3.89Å; F711-I728 HydrophobicContact CZ-CG2 4.11Å; L714-I728 HydrophobicContact CB-CG1 3.8Å; Q724-I728 WeakPolarHBondContact O-CG1 3.37Å; Q724-I728 PolarHBondContact O-N 3.02Å; K725-I728 PolarHBondContact O-N 2.93Å; K725-I728 VanDerWaalsContact O-N 3.09Å; I728-K730 PolarHBondContact O-N 3.45Å; I728-K730 VanDerWaalsContact O-N 3.15Å; I728-Y731 PolarHBondContact O-N 3.01Å
729D79.4Confident80.1Confident117 Ų11778.4 Ų78.463%0.62638%0.38SS*.THydrogen-bonded Turntrans-65.3-17.8-178-63.5-29.9000112.8K725K725-D729 PolarHBondContact O-N 3.45Å
730K84.1Confident81.8Confident79 Ų7973.3 Ų73.334%0.34335%0.348SS..THydrogen-bonded Turntrans-92.9-22.3173-71-175.7170.1-177.20114.3E530 E533 A534 T726 L727 I728E530-K730 HydrophobicContact CB-CB 4.39Å; E530-K730 HydrophobicContact CB-CD 4.18Å; E530-K730 HydrophobicContact CB-CG 4.01Å; E533-K730 IonicContact OE2-NZ 3.96Å; E533-K730 PolarHBondContact OE2-NZ 3.42Å; A534-K730 HydrophobicContact CB-CB 4.28Å; T726-K730 WeakPolarHBondContact O-CG 3.42Å; L727-K730 PolarHBondContact O-N 3.29Å; I728-K730 PolarHBondContact O-N 3.45Å; I728-K730 VanDerWaalsContact O-N 3.15Å
731Y88.4Confident83.4Confident27 Ų2765.7 Ų65.711%0.10631%0.314CS..SBendtrans-78.5123.5-172-158.9-82000110.7A534 L707 Q710 F711 L714 L727 I728A534-Y731 HydrophobicContact CB-CD2 3.85Å; A534-Y731 HydrophobicContact CB-CG 4.43Å; L707-Y731 HydrophobicContact CD2-CE1 3.63Å; Q710-Y731 HydrophobicContact CB-CE1 3.77Å; F711-Y731 HydrophobicContact CB-CD1 4.44Å; L714-Y731 HydrophobicContact CD1-CD1 4.29Å; L714-Y731 HydrophobicContact CD1-CD2 3.65Å; L714-Y731 HydrophobicContact CD1-CE2 4.18Å; L714-Y731 HydrophobicContact CD1-CG 3.73Å; L727-Y731 PolarHBondContact O-N 3.37Å; I728-Y731 PolarHBondContact O-N 3.01Å
732P91.4Very high84.6Confident5 Ų562 Ų623%0.03229%0.294CS..PPolyproline II helixtrans-73.2135.6-174.830.4-35.3000111.7P531 E535 L707 Q736 W737P531-P732 HydrophobicContact CB-CB 4.35Å; P531-P732 HydrophobicContact CB-CG 4.05Å; E535-P732 HydrophobicContact CG-CG 3.97Å; L707-P732 HydrophobicContact CD1-CG 4.42Å; L707-P732 HydrophobicContact CD2-CG 4.39Å; P732-Q736 HydrophobicContact CB-CB 4.37Å; P732-W737 HydrophobicContact CB-CB 4.25Å
733T93.8Very high85.6Confident33 Ų3354.7 Ų54.720%0.20226%0.259CS..PPolyproline II helixtrans-65.2156.6157.859.20000110.2D708 F711 R735 Q736 W737D708-T733 WeakPolarHBondContact OD1-CA 3.4Å; D708-T733 VanDerWaalsContact OD1-CB 3.29Å; D708-T733 WeakPolarHBondContact OD1-CB 3.48Å; F711-T733 HydrophobicContact CD1-CG2 4.29Å; F711-T733 HydrophobicContact CD2-CG2 4.34Å; F711-T733 HydrophobicContact CE1-CG2 4.42Å; F711-T733 HydrophobicContact CE2-CG2 4.47Å; F711-T733 HydrophobicContact CG-CG2 4.25Å; T733-R735 PolarHBondContact O-N 3.19Å; T733-R735 VanDerWaalsContact O-N 3.17Å; T733-Q736 PolarHBondContact O-N 3.44Å; T733-Q736 VanDerWaalsContact OG1-CD 3.31Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.47Å; T733-Q736 PolarHBondContact OG1-N 3.22Å; T733-Q736 PolarHBondContact OG1-OE1 3.25Å; T733-W737 PolarHBondContact O-N 3.31Å
734G95Very high86.5Confident0 Ų050.5 Ų50.50%024%0.237CC..Hα-helixtrans-54.3-37.9178.400000112.6M704 D708 Y738M704-G734 WeakPolarHBondContact CG-O 3.47Å; D708-G734 PolarHBondContact OD1-N 2.92Å; G734-Y738 VanDerWaalsContact O-CB 3.29Å; G734-Y738 WeakPolarHBondContact O-CB 3.41Å; G734-Y738 PolarHBondContact O-N 3.43Å
735R93.5Very high87.6Confident185 Ų18547.5 Ų47.570%0.69822%0.224SC*.Hα-helixtrans-70.6-35.6176.4-168.1174.5-176.3177.71.4113.5T733 N739T733-R735 PolarHBondContact O-N 3.19Å; T733-R735 VanDerWaalsContact O-N 3.17Å; R735-N739 PolarHBondContact O-N 2.91Å; R735-N739 PolarHBondContact O-ND2 3.48Å
736Q92.7Very high88.6Confident111 Ų11141.3 Ų41.352%0.51920%0.196SC..Hα-helixtrans-67.7-45.8173.6-76.1163.7-54.500110.9P732 T733 N739 L740P732-Q736 HydrophobicContact CB-CB 4.37Å; T733-Q736 PolarHBondContact O-N 3.44Å; T733-Q736 VanDerWaalsContact OG1-CD 3.31Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.47Å; T733-Q736 PolarHBondContact OG1-N 3.22Å; T733-Q736 PolarHBondContact OG1-OE1 3.25Å; Q736-N739 PolarHBondContact O-N 2.96Å; Q736-L740 WeakPolarHBondContact O-CB 3.29Å; Q736-L740 PolarHBondContact O-N 3.14Å
737W93.8Very high89.3Confident20 Ų2038 Ų388%0.07618%0.176CC..Hα-helixtrans-57.8-49.4174.8172.291.9000111.9E535 V700 K703 M704 L707 P732 T733 N739 L740 Q741E535-W737 VanDerWaalsContact OE1-CD1 3.29Å; V700-W737 HydrophobicContact CG1-CZ3 4.25Å; K703-W737 HydrophobicContact CB-CH2 4.01Å; K703-W737 HydrophobicContact CB-CZ2 4.41Å; K703-W737 HydrophobicContact CB-CZ3 4.22Å; K703-W737 HydrophobicContact CD-CZ2 4.48Å; K703-W737 HydrophobicContact CG-CD2 4.13Å; K703-W737 HydrophobicContact CG-CE3 4.14Å; K703-W737 HydrophobicContact CG-CH2 3.56Å; K703-W737 HydrophobicContact CG-CZ2 3.51Å; K703-W737 HydrophobicContact CG-CZ3 3.87Å; M704-W737 HydrophobicContact CG-CE3 3.92Å; M704-W737 HydrophobicContact CG-CZ3 3.98Å; L707-W737 HydrophobicContact CD1-CB 3.34Å; L707-W737 HydrophobicContact CD1-CD2 3.95Å; L707-W737 HydrophobicContact CD1-CG 3.39Å; P732-W737 HydrophobicContact CB-CB 4.25Å; T733-W737 PolarHBondContact O-N 3.31Å; W737-N739 VanDerWaalsContact C-N 3.3Å; W737-N739 PolarHBondContact O-N 2.89Å; W737-L740 WeakPolarHBondContact O-CB 3.46Å; W737-L740 PolarHBondContact O-N 3.36Å; W737-Q741 HydrophobicContact CD2-CG 4.03Å; W737-Q741 HydrophobicContact CG-CG 4.45Å; W737-Q741 HydrophobicContact CH2-CG 4.37Å; W737-Q741 HydrophobicContact CZ2-CG 3.82Å; W737-Q741 WeakPolarHBondContact O-CG 3.33Å; W737-Q741 PolarHBondContact O-N 3.49Å
738Y94.9Very high90Very high32 Ų3235.4 Ų35.413%0.12516%0.162CC..Hα-helixtrans-58.2-40.4179.6174.7-99.1000112.8Y692 A693 I695 V700 M704 G734Y692-Y738 AromaticContact CD1-CD1 3.9Å; Y692-Y738 HydrophobicContact CD1-CD1 3.9Å; Y692-Y738 AromaticContact CD1-CE1 3.28Å; Y692-Y738 HydrophobicContact CD1-CE1 3.28Å; Y692-Y738 HydrophobicContact CD1-CE2 4.48Å; Y692-Y738 AromaticContact CD1-CZ 3.64Å; Y692-Y738 AromaticContact CE1-CD1 3.98Å; Y692-Y738 HydrophobicContact CE1-CD1 3.98Å; Y692-Y738 AromaticContact CE1-CE1 3.64Å; Y692-Y738 HydrophobicContact CE1-CE1 3.64Å; Y692-Y738 HydrophobicContact CG-CE1 4.2Å; A693-Y738 WeakPolarHBondContact O-CE2 3.42Å; A693-Y738 PolarHBondContact O-OH 2.83Å; A693-Y738 VanDerWaalsContact O-OH 3.05Å; I695-Y738 HydrophobicContact CB-CE2 4.26Å; I695-Y738 HydrophobicContact CD1-CE1 4.42Å; I695-Y738 HydrophobicContact CG1-CE2 4.31Å; V700-Y738 HydrophobicContact CG1-CD2 3.75Å; V700-Y738 HydrophobicContact CG1-CE2 3.93Å; M704-Y738 HydrophobicContact CE-CG 4.35Å; M704-Y738 HydrophobicContact SD-CD2 3.84Å; M704-Y738 HydrophobicContact SD-CG 3.93Å; G734-Y738 VanDerWaalsContact O-CB 3.29Å; G734-Y738 WeakPolarHBondContact O-CB 3.41Å; G734-Y738 PolarHBondContact O-N 3.43Å
739N92.6Very high90.5Very high48 Ų4834.7 Ų34.726%0.25716%0.159SC..Hα-helixtrans-65-49.8171.9-72.3-18.3000111.6Y692 R735 Q736 W737 Q741 A742 W743Y692-N739 WeakPolarHBondContact CE1-OD1 3.25Å; Y692-N739 PolarHBondContact OH-OD1 3.38Å; R735-N739 PolarHBondContact O-N 2.91Å; R735-N739 PolarHBondContact O-ND2 3.48Å; Q736-N739 PolarHBondContact O-N 2.96Å; W737-N739 VanDerWaalsContact C-N 3.3Å; W737-N739 PolarHBondContact O-N 2.89Å; N739-Q741 VanDerWaalsContact C-N 3.28Å; N739-Q741 PolarHBondContact O-N 3.45Å; N739-A742 WeakPolarHBondContact O-CB 3.38Å; N739-A742 PolarHBondContact O-N 3.21Å; N739-W743 PolarHBondContact O-N 3.09Å; N739-W743 VanDerWaalsContact O-N 3.17Å
740L90.2Very high90.9Very high10 Ų1029.2 Ų29.25%0.05213%0.129CC..Hα-helixtrans-56.7-40.1-178.5176.956.8000112.2P528 P531 Q736 W737 A742 W743 R744P528-L740 HydrophobicContact CG-CD1 4.1Å; P528-L740 HydrophobicContact CG-CD2 4.4Å; P531-L740 HydrophobicContact CB-CD2 4.19Å; P531-L740 HydrophobicContact CG-CD2 4.09Å; Q736-L740 WeakPolarHBondContact O-CB 3.29Å; Q736-L740 PolarHBondContact O-N 3.14Å; W737-L740 WeakPolarHBondContact O-CB 3.46Å; W737-L740 PolarHBondContact O-N 3.36Å; L740-A742 VanDerWaalsContact C-N 3.26Å; L740-A742 PolarHBondContact O-N 2.88Å; L740-W743 PolarHBondContact O-N 3.31Å; L740-R744 HydrophobicContact CD1-CG 4.06Å; L740-R744 HydrophobicContact CG-CG 4.4Å; L740-R744 WeakPolarHBondContact O-CG 3.45Å; L740-R744 PolarHBondContact O-N 3.21Å
741Q91.6Very high90.8Very high35 Ų3525.7 Ų25.716%0.16412%0.115CC..Hα-helixtrans-62.2-31.1177.3-67.5-56.3-26.600113.1R668 W737 N739R668-Q741 PolarHBondContact NH2-O 3.25Å; W737-Q741 HydrophobicContact CD2-CG 4.03Å; W737-Q741 HydrophobicContact CG-CG 4.45Å; W737-Q741 HydrophobicContact CH2-CG 4.37Å; W737-Q741 HydrophobicContact CZ2-CG 3.82Å; W737-Q741 WeakPolarHBondContact O-CG 3.33Å; W737-Q741 PolarHBondContact O-N 3.49Å; N739-Q741 VanDerWaalsContact C-N 3.28Å; N739-Q741 PolarHBondContact O-N 3.45Å
742A92.8Very high90.4Very high1 Ų125.7 Ų25.71%0.00812%0.115CC..Hα-helixtrans-74.3-43.3173.200000111.5I690 P691 Y692 N739 L740 A745 I746I690-A742 HydrophobicContact CG2-CB 3.75Å; P691-A742 HydrophobicContact CG-CB 4.44Å; P691-A742 WeakPolarHBondContact CG-O 3.27Å; Y692-A742 HydrophobicContact CD1-CB 3.9Å; Y692-A742 HydrophobicContact CE1-CB 4.1Å; Y692-A742 HydrophobicContact CG-CB 4.27Å; N739-A742 WeakPolarHBondContact O-CB 3.38Å; N739-A742 PolarHBondContact O-N 3.21Å; L740-A742 VanDerWaalsContact C-N 3.26Å; L740-A742 PolarHBondContact O-N 2.88Å; A742-A745 PolarHBondContact O-N 3.34Å; A742-I746 PolarHBondContact O-N 3.07Å
743W91.1Very high90.2Very high8 Ų825.4 Ų25.43%0.0311%0.113CC..Hα-helixtrans-67.3-37.1-179.9-72.8109.5000114.1I690 N739 L740 A745 I746 N747 F770 A775 N778 L779I690-W743 HydrophobicContact CD1-CZ2 4.45Å; N739-W743 PolarHBondContact O-N 3.09Å; N739-W743 VanDerWaalsContact O-N 3.17Å; L740-W743 PolarHBondContact O-N 3.31Å; W743-A745 VanDerWaalsContact C-N 3.27Å; W743-A745 PolarHBondContact O-N 3.31Å; W743-I746 HydrophobicContact CD2-CD1 4.2Å; W743-I746 HydrophobicContact CE3-CD1 3.78Å; W743-I746 HydrophobicContact CZ3-CD1 4.05Å; W743-I746 PolarHBondContact O-N 3.43Å; W743-N747 PolarHBondContact O-N 3.25Å; W743-N747 PolarHBondContact O-ND2 2.94Å; W743-F770 AromaticContact CH2-CD1 3.52Å; W743-F770 HydrophobicContact CH2-CD1 3.52Å; W743-F770 AromaticContact CH2-CE1 3.63Å; W743-F770 HydrophobicContact CH2-CE1 3.63Å; W743-F770 AromaticContact CZ3-CD1 3.91Å; W743-F770 HydrophobicContact CZ3-CD1 3.91Å; W743-F770 AromaticContact CZ3-CE1 3.7Å; W743-F770 HydrophobicContact CZ3-CE1 3.7Å; W743-A775 HydrophobicContact CH2-CB 3.73Å; W743-A775 VanDerWaalsContact CH2-O 3.24Å; W743-A775 WeakPolarHBondContact CH2-O 3.34Å; W743-A775 HydrophobicContact CZ2-CB 3.55Å; W743-A775 WeakPolarHBondContact CZ2-O 3.42Å; W743-N778 HydrophobicContact CB-CB 3.96Å; W743-N778 HydrophobicContact CD2-CB 3.41Å; W743-N778 VanDerWaalsContact CD2-CB 3.41Å; W743-N778 HydrophobicContact CE3-CB 3.97Å; W743-N778 HydrophobicContact CG-CB 3.37Å; W743-N778 HydrophobicContact CZ2-CB 4.42Å; W743-L779 HydrophobicContact CE3-CD2 4.22Å; W743-L779 HydrophobicContact CZ3-CD2 3.82Å; W743-L779 HydrophobicContact CZ3-CG 4.03Å
744R87.8Confident89.8Confident0 Ų023.9 Ų23.90%010%0.104CC..Hα-helixtrans-56-43171.6-74.9-172.3-172.9175.910.8111.6H260 E263 L740 N747 Q748H260-R744 PolarHBondContact O-NH1 3.36Å; E263-R744 VanDerWaalsContact CD-NH1 3.28Å; E263-R744 IonicContact OE1-CZ 2.73Å; E263-R744 IonicContact OE1-NH1 2.9Å; E263-R744 PolarHBondContact OE1-NH1 2.7Å; E263-R744 IonicContact OE1-NH2 3.25Å; E263-R744 PolarHBondContact OE1-NH2 3.24Å; E263-R744 IonicContact OE2-NH1 2.72Å; E263-R744 PolarHBondContact OE2-NH1 3.27Å; L740-R744 HydrophobicContact CD1-CG 4.06Å; L740-R744 HydrophobicContact CG-CG 4.4Å; L740-R744 WeakPolarHBondContact O-CG 3.45Å; L740-R744 PolarHBondContact O-N 3.21Å; R744-N747 PolarHBondContact O-N 3.18Å; R744-Q748 VanDerWaalsContact C-NE2 3.31Å; R744-Q748 WeakPolarHBondContact O-CG 3.34Å; R744-Q748 PolarHBondContact O-N 3.38Å; R744-Q748 PolarHBondContact O-NE2 3.17Å
745A90.1Very high89.3Confident1 Ų125.1 Ų25.11%0.00811%0.109CC..Hα-helixtrans-68.8-34.3179.600000112.9R668 P691 A742 W743 A749R668-A745 HydrophobicContact CG-CB 3.73Å; P691-A745 HydrophobicContact CG-CB 3.86Å; A742-A745 PolarHBondContact O-N 3.34Å; W743-A745 VanDerWaalsContact C-N 3.27Å; W743-A745 PolarHBondContact O-N 3.31Å; A745-A749 PolarHBondContact O-N 3.39Å
746I92.3Very high88.9Confident0 Ų019.1 Ų19.10%09%0.088CC..Hα-helixtrans-64.1-51.6170.3-66.7159.2000109.9M667 I687 I690 P691 A742 W743 Q748 A749 V750 F770 L779M667-I746 HydrophobicContact SD-CG1 3.91Å; I687-I746 HydrophobicContact CG1-CG2 4.46Å; I687-I746 HydrophobicContact CG2-CG1 4.18Å; I687-I746 HydrophobicContact CG2-CG2 4.3Å; I690-I746 HydrophobicContact CG1-CD1 4.43Å; I690-I746 HydrophobicContact CG2-CD1 4.07Å; P691-I746 HydrophobicContact CG-CD1 4.44Å; P691-I746 HydrophobicContact CG-CG1 3.96Å; A742-I746 PolarHBondContact O-N 3.07Å; W743-I746 HydrophobicContact CD2-CD1 4.2Å; W743-I746 HydrophobicContact CE3-CD1 3.78Å; W743-I746 HydrophobicContact CZ3-CD1 4.05Å; W743-I746 PolarHBondContact O-N 3.43Å; I746-Q748 PolarHBondContact O-N 2.96Å; I746-A749 PolarHBondContact O-N 2.95Å; I746-V750 HydrophobicContact CG2-CG2 3.95Å; I746-V750 WeakPolarHBondContact O-CB 3.43Å; I746-V750 VanDerWaalsContact O-CG2 3.3Å; I746-V750 WeakPolarHBondContact O-CG2 3.22Å; I746-V750 PolarHBondContact O-N 2.95Å; I746-F770 HydrophobicContact CD1-CE1 3.91Å; I746-F770 HydrophobicContact CD1-CZ 4.08Å; I746-L779 HydrophobicContact CG2-CD2 4.37Å
747N89.2Confident88.5Confident6 Ų618.8 Ų18.83%0.0328%0.083CC..Hα-helixtrans-58.7-34.2180-69.6-32.8000112.1T525 W743 R744 G751 N778 A780 M783T525-N747 HydrophobicContact CG2-CB 4.02Å; W743-N747 PolarHBondContact O-N 3.25Å; W743-N747 PolarHBondContact O-ND2 2.94Å; R744-N747 PolarHBondContact O-N 3.18Å; N747-G751 PolarHBondContact O-N 2.94Å; N747-N778 PolarHBondContact ND2-O 3.03Å; N747-N778 VanDerWaalsContact ND2-O 3.16Å; N747-A780 PolarHBondContact OD1-N 3.33Å; N747-M783 WeakPolarHBondContact OD1-CE 3.27Å
748Q86.6Confident88.3Confident11 Ų1121.6 Ų21.65%0.05110%0.096CC..Hα-helixtrans-67.7-39.3173.6-71.5158.44400114.2H260 T525 R744 I746 R752H260-Q748 PolarHBondContact CD2-NE2 3.03Å; H260-Q748 WeakPolarHBondContact NE2-CG 3.38Å; H260-Q748 PolarHBondContact NE2-NE2 3.48Å; H260-Q748 PolarHBondContact NE2-OE1 3.37Å; T525-Q748 HydrophobicContact CG2-CG 4.23Å; R744-Q748 VanDerWaalsContact C-NE2 3.31Å; R744-Q748 WeakPolarHBondContact O-CG 3.34Å; R744-Q748 PolarHBondContact O-N 3.38Å; R744-Q748 PolarHBondContact O-NE2 3.17Å; I746-Q748 PolarHBondContact O-N 2.96Å; Q748-R752 PolarHBondContact O-NE 3.03Å
749A89.9Confident88.1Confident0 Ų020.1 Ų20.10%09%0.09CC..Hα-helixtrans-75.7-39179.300000111.6F603 M667 I687 A745 I746 R752F603-A749 HydrophobicContact CD1-CB 4.11Å; F603-A749 HydrophobicContact CD2-CB 3.88Å; F603-A749 HydrophobicContact CE1-CB 4.21Å; F603-A749 HydrophobicContact CE2-CB 3.97Å; F603-A749 HydrophobicContact CG-CB 3.94Å; F603-A749 HydrophobicContact CZ-CB 4.14Å; M667-A749 HydrophobicContact CG-CB 4.11Å; I687-A749 HydrophobicContact CD1-CB 3.93Å; A745-A749 PolarHBondContact O-N 3.39Å; I746-A749 PolarHBondContact O-N 2.95Å; A749-R752 WeakPolarHBondContact O-CB 3.37Å; A749-R752 VanDerWaalsContact O-CG 3.24Å; A749-R752 WeakPolarHBondContact O-CG 3.35Å; A749-R752 PolarHBondContact O-N 2.94Å
750V87.9Confident88.2Confident1 Ų118.1 Ų18.11%0.0068%0.079CC..Hα-helixtrans-72.9-36.5179.1176.50000112.3V685 I687 I746 R752 V753 I763 L765 M783V685-V750 HydrophobicContact CG1-CG2 4.49Å; I687-V750 HydrophobicContact CD1-CG2 3.68Å; I687-V750 HydrophobicContact CG1-CG2 3.56Å; I746-V750 HydrophobicContact CG2-CG2 3.95Å; I746-V750 WeakPolarHBondContact O-CB 3.43Å; I746-V750 VanDerWaalsContact O-CG2 3.3Å; I746-V750 WeakPolarHBondContact O-CG2 3.22Å; I746-V750 PolarHBondContact O-N 2.95Å; V750-R752 PolarHBondContact O-N 2.92Å; V750-V753 PolarHBondContact O-N 3.17Å; V750-I763 HydrophobicContact CG1-CB 4.45Å; V750-I763 HydrophobicContact CG1-CD1 3.28Å; V750-I763 HydrophobicContact CG1-CG1 3.73Å; V750-I763 HydrophobicContact CG1-CG2 3.87Å; V750-I763 HydrophobicContact CG2-CG2 4.11Å; V750-L765 HydrophobicContact CG2-CD2 4.45Å; V750-M783 HydrophobicContact CB-SD 4.32Å; V750-M783 HydrophobicContact CG1-CE 4.2Å; V750-M783 HydrophobicContact CG1-SD 3.35Å; V750-M783 WeakPolarHBondContact CG1-SD 3.49Å
751G81.5Confident88.3Confident5 Ų517.7 Ų17.75%0.0528%0.077CC..THydrogen-bonded Turntrans-63.410.4173.200000115.3T44 N747T44-G751 WeakPolarHBondContact CG2-O 3.49Å; T44-G751 PolarHBondContact OG1-O 3.34Å; N747-G751 PolarHBondContact O-N 2.94Å
752R80.4Confident88.5Confident27 Ų2716 Ų1610%0.1027%0.069CC..THydrogen-bonded Turntrans-90.2-14174.8-57.8-66.2159.9-163.3-12113.8L601 F603 S672 L675 Q748 A749 V750 R755L601-R752 HydrophobicContact CD1-CB 4.12Å; F603-R752 HydrophobicContact CZ-CG 4.49Å; S672-R752 VanDerWaalsContact O-CZ 3.23Å; S672-R752 PolarHBondContact O-NE 3.45Å; S672-R752 PolarHBondContact O-NH2 3.31Å; L675-R752 PolarHBondContact O-NH1 2.79Å; Q748-R752 PolarHBondContact O-NE 3.03Å; A749-R752 WeakPolarHBondContact O-CB 3.37Å; A749-R752 VanDerWaalsContact O-CG 3.24Å; A749-R752 WeakPolarHBondContact O-CG 3.35Å; A749-R752 PolarHBondContact O-N 2.94Å; V750-R752 PolarHBondContact O-N 2.92Å; R752-R755 VanDerWaalsContact CD-NH2 3.27Å; R752-R755 PolarHBondContact O-NE 3.11Å; R752-R755 PolarHBondContact O-NH2 3.41Å; R752-R755 VanDerWaalsContact O-NH2 3.1Å
753V86.5Confident88.7Confident0 Ų016 Ų160%07%0.068CC..SBendtrans-91.5-8.8-169.984.80000115.4L555 G682 V685 V750 I763L555-V753 HydrophobicContact CD1-CG1 4.21Å; G682-V753 WeakPolarHBondContact O-CG2 3.48Å; V685-V753 HydrophobicContact CG2-CB 3.7Å; V685-V753 HydrophobicContact CG2-CG2 3.81Å; V750-V753 PolarHBondContact O-N 3.17Å; V753-I763 HydrophobicContact CG1-CD1 4.38Å; V753-I763 HydrophobicContact CG1-CG1 4.02Å
754I86Confident89Confident0 Ų015.6 Ų15.60%07%0.067CC..  trans-136119.8178.8-56.1-66.5000109.4H548 I550 L555 D759 W782H548-I754 VanDerWaalsContact CE1-CG2 3.42Å; H548-I754 WeakPolarHBondContact CE1-CG2 3.34Å; I550-I754 HydrophobicContact CD1-CD1 4.11Å; I550-I754 HydrophobicContact CD1-CG1 4.07Å; I550-I754 HydrophobicContact CD1-CG2 4.13Å; I550-I754 HydrophobicContact CG2-CG2 3.48Å; I550-I754 VanDerWaalsContact CG2-CG2 3.48Å; L555-I754 HydrophobicContact CD1-CD1 4.14Å; L555-I754 HydrophobicContact CD1-CG1 4.03Å; I754-D759 HydrophobicContact CG2-CB 4.18Å; I754-W782 HydrophobicContact CG1-CH2 4.48Å; I754-W782 HydrophobicContact CG1-CZ3 4.41Å
755R83.2Confident89.4Confident26 Ų2615.6 Ų15.610%0.0987%0.067CC..  trans-117.2-17.1-176.3-55.3-51.9-178.1129.91.4116.2G45 L675 D676 L677 A678 R752 D759G45-R755 WeakPolarHBondContact CA-O 3.26Å; L675-R755 PolarHBondContact O-NH1 3.16Å; L675-R755 PolarHBondContact O-NH2 3.03Å; D676-R755 WeakPolarHBondContact OD1-CD 3.32Å; D676-R755 WeakPolarHBondContact OD1-CG 3.18Å; D676-R755 IonicContact OD1-CZ 2.61Å; D676-R755 VanDerWaalsContact OD1-CZ 3.25Å; D676-R755 IonicContact OD1-NE 2.75Å; D676-R755 PolarHBondContact OD1-NE 3.26Å; D676-R755 IonicContact OD1-NH1 2.92Å; D676-R755 PolarHBondContact OD1-NH1 2.86Å; L677-R755 VanDerWaalsContact O-CG 3.27Å; L677-R755 WeakPolarHBondContact O-CG 3.42Å; L677-R755 PolarHBondContact O-NE 3.46Å; A678-R755 VanDerWaalsContact CA-CG 3.49Å; A678-R755 HydrophobicContact CB-CB 3.74Å; A678-R755 HydrophobicContact CB-CG 3.76Å; R752-R755 VanDerWaalsContact CD-NH2 3.27Å; R752-R755 PolarHBondContact O-NE 3.11Å; R752-R755 PolarHBondContact O-NH2 3.41Å; R752-R755 VanDerWaalsContact O-NH2 3.1Å; R755-D759 PolarHBondContact N-OD2 2.67Å
756H85Confident89.7Confident59 Ų5915.6 Ų15.627%0.2737%0.067SC..SBendtrans-154.2171.7175.345.656.5000112.8D679 K758 D759D679-H756 IonicContact OD1-CE1 2.67Å; D679-H756 IonicContact OD2-CE1 3.83Å; D679-H756 PolarHBondContact OD2-CE1 2.74Å; D679-H756 IonicContact OD2-NE2 2.71Å; D679-H756 PolarHBondContact OD2-NE2 3.44Å; H756-K758 PolarHBondContact O-N 2.92Å; H756-K758 VanDerWaalsContact O-N 3.08Å; H756-D759 WeakPolarHBondContact ND1-CB 3.49Å; H756-D759 PolarHBondContact ND1-N 2.92Å; H756-D759 VanDerWaalsContact ND1-N 3.19Å; H756-D759 VanDerWaalsContact O-CB 3.27Å; H756-D759 WeakPolarHBondContact O-CB 3.29Å; H756-D759 PolarHBondContact O-N 2.96Å
757Y86.1Confident89.9Confident105 Ų10515.6 Ų15.641%0.4127%0.067SC..THydrogen-bonded Turntrans-56.8-23.1-177.777.9-76.6000115.4Y18 V549 Q554Y18-Y757 HydrophobicContact CE1-CD1 4.39Å; Y18-Y757 HydrophobicContact CE1-CG 4.42Å; Y18-Y757 AromaticContact CZ-CD1 3.96Å; Y18-Y757 WeakPolarHBondContact OH-CD1 3.43Å; V549-Y757 WeakPolarHBondContact O-CA 3.09Å; V549-Y757 WeakPolarHBondContact O-CB 3.21Å; Q554-Y757 PolarHBondContact NE2-O 3.47Å
758K88.9Confident90.3Very high79 Ų7917.9 Ų17.934%0.3438%0.078SC..THydrogen-bonded Turntrans-94-7.3173-72.3-175173.1-176.40114.8H756 Y811H756-K758 PolarHBondContact O-N 2.92Å; H756-K758 VanDerWaalsContact O-N 3.08Å; K758-Y811 HydrophobicContact CB-CD1 4.41Å; K758-Y811 HydrophobicContact CG-CD1 4.38Å
759D90.8Very high90.7Very high1 Ų120.3 Ų20.31%0.0059%0.086CC..  trans-76153.2-173.2-151-4.3000110.8Q554 D679 R683 I754 R755 H756Q554-D759 PolarHBondContact NE2-O 3.34Å; D679-D759 PolarHBondContact N-OD1 3.34Å; R683-D759 IonicContact CZ-OD1 2.69Å; R683-D759 IonicContact NH1-OD1 2.65Å; R683-D759 PolarHBondContact NH1-OD1 2.82Å; I754-D759 HydrophobicContact CG2-CB 4.18Å; R755-D759 PolarHBondContact N-OD2 2.67Å; H756-D759 WeakPolarHBondContact ND1-CB 3.49Å; H756-D759 PolarHBondContact ND1-N 2.92Å; H756-D759 VanDerWaalsContact ND1-N 3.19Å; H756-D759 VanDerWaalsContact O-CB 3.27Å; H756-D759 WeakPolarHBondContact O-CB 3.29Å; H756-D759 PolarHBondContact O-N 2.96Å
760Y93.6Very high90.9Very high6 Ų620.4 Ų20.42%0.0249%0.086CC..  trans-151.7146.4-179.559.4-93.7000111.2Q554 R683 F803 F804 M807 Y811Q554-Y760 WeakPolarHBondContact O-CA 3.5Å; Q554-Y760 WeakPolarHBondContact O-CB 3.43Å; R683-Y760 WeakPolarHBondContact CD-O 3.41Å; R683-Y760 PolarHBondContact NH1-O 3.43Å; Y760-F803 HydrophobicContact CD2-CE1 4.47Å; Y760-F804 HydrophobicContact CD2-CD1 4.3Å; Y760-F804 HydrophobicContact CD2-CE1 4.4Å; Y760-F804 HydrophobicContact CE2-CD1 4.09Å; Y760-F804 HydrophobicContact CE2-CE1 4.47Å; Y760-M807 HydrophobicContact CD1-CB 4.09Å; Y760-M807 HydrophobicContact CD2-CB 3.42Å; Y760-M807 VanDerWaalsContact CD2-CB 3.42Å; Y760-M807 HydrophobicContact CD2-CG 3.93Å; Y760-M807 HydrophobicContact CE1-CB 4.3Å; Y760-M807 HydrophobicContact CE2-CB 3.67Å; Y760-M807 HydrophobicContact CG-CB 3.65Å; Y760-M807 HydrophobicContact CG-CG 3.98Å; Y760-Y811 HydrophobicContact CD1-CD2 4.2Å; Y760-Y811 HydrophobicContact CD1-CG 4.4Å
761G94.1Very high91.2Very high0 Ų021.9 Ų21.90%010%0.099CC..EExtended strand (participates in β ladder)trans-172.9175-177.700000114.3Q554 R683 F803Q554-G761 PolarHBondContact O-N 3.41Å; R683-G761 CarbonylContact O-C 3.57Å; R683-G761 WeakPolarHBondContact O-CA 3.5Å; G761-F803 VanDerWaalsContact O-CZ 3.26Å; G761-F803 WeakPolarHBondContact O-CZ 3.38Å
762I95.2Very high91.8Very high0 Ų024.4 Ų24.40%012%0.116CC..EExtended strand (participates in β ladder)trans-119.4145.5-172-109.2173.2000111.5N556 R683 G684 V685 Y764 T800 F803 F804N556-I762 HydrophobicContact CB-CD1 4.19Å; N556-I762 HydrophobicContact CB-CG1 3.7Å; N556-I762 WeakPolarHBondContact O-CA 3.25Å; R683-I762 PolarHBondContact O-N 3.03Å; G684-I762 CarbonylContact C-O 3.55Å; G684-I762 WeakPolarHBondContact CA-O 3.44Å; V685-I762 PolarHBondContact N-O 2.73Å; I762-Y764 HydrophobicContact CG2-CD1 4.32Å; I762-Y764 HydrophobicContact CG2-CD2 3.89Å; I762-Y764 HydrophobicContact CG2-CE1 3.77Å; I762-Y764 HydrophobicContact CG2-CE2 3.33Å; I762-Y764 HydrophobicContact CG2-CG 4.39Å; I762-T800 HydrophobicContact CD1-CG2 3.82Å; I762-F803 HydrophobicContact CB-CE1 4.43Å; I762-F803 HydrophobicContact CD1-CB 4.17Å; I762-F803 HydrophobicContact CD1-CD1 3.52Å; I762-F803 HydrophobicContact CD1-CE1 4.13Å; I762-F803 HydrophobicContact CD1-CG 3.98Å; I762-F803 HydrophobicContact CG1-CD1 3.76Å; I762-F803 HydrophobicContact CG1-CE1 3.86Å; I762-F803 HydrophobicContact CG1-CG 4.33Å; I762-F803 HydrophobicContact CG1-CZ 4.49Å; I762-F804 HydrophobicContact CB-CE2 4.34Å; I762-F804 HydrophobicContact CB-CZ 4.04Å; I762-F804 HydrophobicContact CD1-CE2 3.93Å; I762-F804 HydrophobicContact CD1-CZ 4.35Å
763I95.8Very high92.2Very high0 Ų029.2 Ų29.20%014%0.144CC..EExtended strand (participates in β ladder)trans-125.6126.5178.6-55.3158.9000108.9L555 N556 L557 S558 V685 V750 V753 L765 M783L555-I763 HydrophobicContact CD1-CD1 3.65Å; L555-I763 HydrophobicContact CD1-CG1 4.22Å; L555-I763 HydrophobicContact CD2-CD1 3.91Å; L555-I763 HydrophobicContact CG-CD1 4.03Å; N556-I763 PolarHBondContact O-N 2.67Å; L557-I763 WeakPolarHBondContact CA-O 3.01Å; L557-I763 HydrophobicContact CB-CB 4.42Å; L557-I763 HydrophobicContact CD1-CD1 4.09Å; L557-I763 HydrophobicContact CG-CB 4.01Å; L557-I763 HydrophobicContact CG-CD1 4.27Å; L557-I763 HydrophobicContact CG-CG2 4.13Å; S558-I763 PolarHBondContact N-O 2.91Å; V685-I763 CarbonylContact O-C 3.48Å; V685-I763 WeakPolarHBondContact O-CA 3.44Å; V750-I763 HydrophobicContact CG1-CB 4.45Å; V750-I763 HydrophobicContact CG1-CD1 3.28Å; V750-I763 HydrophobicContact CG1-CG1 3.73Å; V750-I763 HydrophobicContact CG1-CG2 3.87Å; V750-I763 HydrophobicContact CG2-CG2 4.11Å; V753-I763 HydrophobicContact CG1-CD1 4.38Å; V753-I763 HydrophobicContact CG1-CG1 4.02Å; I763-L765 HydrophobicContact CG2-CD2 3.78Å; I763-L765 HydrophobicContact CG2-CG 4.24Å; I763-M783 HydrophobicContact CD1-SD 3.95Å
764Y97.3Very high92.2Very high0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-110.6117.7173.2-53.5-70.6000110.3S558 I560 L592 V596 V685 F686 I687 I762 V796 T800S558-Y764 WeakPolarHBondContact O-CA 3.38Å; I560-Y764 HydrophobicContact CD1-CD1 3.85Å; I560-Y764 HydrophobicContact CD1-CG 4.42Å; L592-Y764 HydrophobicContact CB-CE2 4.49Å; L592-Y764 HydrophobicContact CD1-CD1 4.09Å; L592-Y764 HydrophobicContact CD1-CE1 3.87Å; L592-Y764 HydrophobicContact CD1-CE2 4.49Å; L592-Y764 HydrophobicContact CD1-CG 4.49Å; L592-Y764 HydrophobicContact CD2-CE1 4.22Å; V596-Y764 HydrophobicContact CG2-CE2 3.98Å; V596-Y764 WeakPolarHBondContact CG2-OH 3.3Å; V685-Y764 PolarHBondContact O-N 3.01Å; F686-Y764 AromaticContact CD1-CD2 3.94Å; F686-Y764 HydrophobicContact CD1-CD2 3.94Å; F686-Y764 HydrophobicContact CD1-CG 4.11Å; F686-Y764 AromaticContact CD2-CD2 3.66Å; F686-Y764 HydrophobicContact CD2-CD2 3.66Å; F686-Y764 HydrophobicContact CD2-CE2 4.24Å; F686-Y764 AromaticContact CE1-CD2 3.57Å; F686-Y764 HydrophobicContact CE1-CD2 3.57Å; F686-Y764 HydrophobicContact CE1-CE2 4.28Å; F686-Y764 AromaticContact CE1-CG 3.72Å; F686-Y764 HydrophobicContact CE1-CG 3.72Å; F686-Y764 AromaticContact CE2-CD2 3.27Å; F686-Y764 HydrophobicContact CE2-CD2 3.27Å; F686-Y764 AromaticContact CE2-CE2 3.47Å; F686-Y764 HydrophobicContact CE2-CE2 3.47Å; F686-Y764 VanDerWaalsContact CE2-CE2 3.47Å; F686-Y764 HydrophobicContact CE2-CG 4.25Å; F686-Y764 AromaticContact CG-CD2 3.97Å; F686-Y764 HydrophobicContact CG-CD2 3.97Å; F686-Y764 AromaticContact CZ-CD2 3.2Å; F686-Y764 HydrophobicContact CZ-CD2 3.2Å; F686-Y764 AromaticContact CZ-CE2 3.5Å; F686-Y764 HydrophobicContact CZ-CE2 3.5Å; F686-Y764 VanDerWaalsContact CZ-CE2 3.5Å; F686-Y764 AromaticContact CZ-CG 3.78Å; F686-Y764 HydrophobicContact CZ-CG 3.78Å; I687-Y764 PolarHBondContact N-O 3.46Å; I762-Y764 HydrophobicContact CG2-CD1 4.32Å; I762-Y764 HydrophobicContact CG2-CD2 3.89Å; I762-Y764 HydrophobicContact CG2-CE1 3.77Å; I762-Y764 HydrophobicContact CG2-CE2 3.33Å; I762-Y764 HydrophobicContact CG2-CG 4.39Å; Y764-V796 HydrophobicContact CD1-CG1 4.08Å; Y764-V796 HydrophobicContact CE1-CG1 3.6Å; Y764-T800 VanDerWaalsContact OH-CG2 3.28Å; Y764-T800 WeakPolarHBondContact OH-CG2 3.35Å; Y764-T800 PolarHBondContact OH-OG1 3.13Å
765L97.2Very high92.4Very high1 Ų135.4 Ų35.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-10298.5174.9-58.4-170000109L557 S558 I559 I560 I687 V750 I763 D767 F770 L779L557-L765 HydrophobicContact CD2-CD1 3.75Å; L557-L765 HydrophobicContact CD2-CG 3.95Å; S558-L765 PolarHBondContact O-N 3.41Å; I559-L765 HydrophobicContact CG1-CB 4.17Å; I559-L765 HydrophobicContact CG1-CD1 4.25Å; I560-L765 PolarHBondContact N-O 2.87Å; I687-L765 HydrophobicContact CB-CD2 3.7Å; I687-L765 HydrophobicContact CG1-CD2 3.61Å; I687-L765 HydrophobicContact CG2-CD2 4.29Å; V750-L765 HydrophobicContact CG2-CD2 4.45Å; I763-L765 HydrophobicContact CG2-CD2 3.78Å; I763-L765 HydrophobicContact CG2-CG 4.24Å; L765-D767 PolarHBondContact O-N 2.87Å; L765-F770 HydrophobicContact CB-CB 4.12Å; L765-F770 HydrophobicContact CB-CD1 4.01Å; L765-F770 HydrophobicContact CB-CD2 3.65Å; L765-F770 HydrophobicContact CB-CE1 4.35Å; L765-F770 HydrophobicContact CB-CE2 4.02Å; L765-F770 HydrophobicContact CB-CG 3.69Å; L765-F770 HydrophobicContact CB-CZ 4.37Å; L765-F770 HydrophobicContact CD1-CD1 3.74Å; L765-F770 HydrophobicContact CD1-CE1 4.11Å; L765-F770 HydrophobicContact CD1-CG 4.19Å; L765-F770 HydrophobicContact CD2-CE1 4.45Å; L765-F770 HydrophobicContact CG-CD1 4.39Å; L765-L779 HydrophobicContact CD1-CD1 3.98Å; L765-L779 HydrophobicContact CD1-CD2 4.13Å
766C97.2Very high92.7Very high0 Ų036 Ų360%018%0.182CC..  trans-10169.8-165.4-61.20000112I560 L569 L588 F686 I687 L688I560-C766 WeakPolarHBondContact O-CA 3.2Å; L569-C766 HydrophobicContact CD1-CB 4.39Å; L588-C766 HydrophobicContact CD2-CB 4.23Å; F686-C766 VanDerWaalsContact CD1-SG 3.55Å; I687-C766 PolarHBondContact O-N 2.92Å; L688-C766 HydrophobicContact CD2-CB 3.85Å
767D96.4Very high92.8Very high0 Ų038 Ų380%019%0.194CC..SBendtrans-162.8138.6172.5-166.1-73.9000110.2I560 L569 A571 L765 R769 F770I560-D767 PolarHBondContact O-N 2.66Å; L569-D767 CarbonylContact O-C 3.6Å; L569-D767 VanDerWaalsContact O-CA 3.25Å; L569-D767 WeakPolarHBondContact O-CA 3.43Å; A571-D767 WeakPolarHBondContact CB-OD2 3.38Å; A571-D767 PolarHBondContact N-OD2 3.45Å; L765-D767 PolarHBondContact O-N 2.87Å; D767-R769 PolarHBondContact O-N 2.78Å; D767-R769 VanDerWaalsContact O-N 3.1Å; D767-R769 VanDerWaalsContact OD1-CB 3.25Å; D767-R769 WeakPolarHBondContact OD1-CB 3.45Å; D767-R769 VanDerWaalsContact OD1-CG 3.26Å; D767-R769 WeakPolarHBondContact OD1-CG 3.43Å; D767-R769 IonicContact OD1-CZ 2.71Å; D767-R769 PolarHBondContact OD1-N 2.68Å; D767-R769 IonicContact OD1-NE 3.5Å; D767-R769 PolarHBondContact OD1-NE 3.16Å; D767-R769 IonicContact OD1-NH2 3.07Å; D767-R769 IonicContact OD2-CZ 3.18Å; D767-R769 IonicContact OD2-NE 3.31Å; D767-R769 PolarHBondContact OD2-NE 3.05Å; D767-R769 IonicContact OD2-NH2 2.75Å; D767-R769 PolarHBondContact OD2-NH2 3.44Å; D767-F770 HydrophobicContact CB-CD2 3.48Å; D767-F770 VanDerWaalsContact CB-CD2 3.48Å; D767-F770 HydrophobicContact CB-CE2 3.6Å; D767-F770 WeakPolarHBondContact O-CB 3.36Å; D767-F770 WeakPolarHBondContact O-CD2 3.35Å; D767-F770 PolarHBondContact O-N 3Å; D767-F770 VanDerWaalsContact O-N 3.11Å
768E96Very high92.8Very high55 Ų5534.9 Ų34.926%0.25718%0.184SC..G310 helixtrans-59.7-25.3-179.170.8174.5149.300113.6P561 K568 L569 N570 F770 A771P561-E768 HydrophobicContact CB-CB 3.86Å; K568-E768 WeakPolarHBondContact CE-OE2 3.42Å; K568-E768 IonicContact NZ-OE1 3.91Å; K568-E768 IonicContact NZ-OE2 3.44Å; K568-E768 PolarHBondContact NZ-OE2 2.75Å; L569-E768 PolarHBondContact O-N 2.69Å; N570-E768 HydrophobicContact CB-CG 4.3Å; N570-E768 PolarHBondContact ND2-OE1 2.9Å; E768-F770 VanDerWaalsContact C-N 3.27Å; E768-F770 PolarHBondContact O-N 3.49Å; E768-A771 WeakPolarHBondContact O-CB 3.37Å; E768-A771 PolarHBondContact O-N 3.01Å
769R95.2Very high92.7Very high61 Ų6131.1 Ų31.123%0.2317%0.168CC..G310 helixtrans-66.3-28.1179.2-64.9172.5-72.2174.2-3.6112.7I690 D767 A771 S772 A775I690-R769 HydrophobicContact CD1-CB 3.81Å; D767-R769 PolarHBondContact O-N 2.78Å; D767-R769 VanDerWaalsContact O-N 3.1Å; D767-R769 VanDerWaalsContact OD1-CB 3.25Å; D767-R769 WeakPolarHBondContact OD1-CB 3.45Å; D767-R769 VanDerWaalsContact OD1-CG 3.26Å; D767-R769 WeakPolarHBondContact OD1-CG 3.43Å; D767-R769 IonicContact OD1-CZ 2.71Å; D767-R769 PolarHBondContact OD1-N 2.68Å; D767-R769 IonicContact OD1-NE 3.5Å; D767-R769 PolarHBondContact OD1-NE 3.16Å; D767-R769 IonicContact OD1-NH2 3.07Å; D767-R769 IonicContact OD2-CZ 3.18Å; D767-R769 IonicContact OD2-NE 3.31Å; D767-R769 PolarHBondContact OD2-NE 3.05Å; D767-R769 IonicContact OD2-NH2 2.75Å; D767-R769 PolarHBondContact OD2-NH2 3.44Å; R769-A771 PolarHBondContact O-N 2.96Å; R769-S772 PolarHBondContact O-N 3.35Å; R769-S772 PolarHBondContact O-OG 3.26Å; R769-A775 VanDerWaalsContact O-CB 3.23Å; R769-A775 WeakPolarHBondContact O-CB 3.36Å
770F95.4Very high92.3Very high2 Ų231.3 Ų31.31%0.00917%0.17CC..G310 helixtrans-63.8-26.5176.1-71-67.5000112.9I559 I687 I690 W743 I746 L765 D767 E768 S772 Q776I559-F770 HydrophobicContact CG1-CB 4.3Å; I559-F770 HydrophobicContact CG2-CB 3.69Å; I687-F770 HydrophobicContact CG2-CE2 4.32Å; I687-F770 HydrophobicContact CG2-CZ 3.78Å; I690-F770 HydrophobicContact CG1-CE1 4.05Å; I690-F770 HydrophobicContact CG1-CE2 4.19Å; I690-F770 HydrophobicContact CG1-CZ 3.73Å; W743-F770 AromaticContact CH2-CD1 3.52Å; W743-F770 HydrophobicContact CH2-CD1 3.52Å; W743-F770 AromaticContact CH2-CE1 3.63Å; W743-F770 HydrophobicContact CH2-CE1 3.63Å; W743-F770 AromaticContact CZ3-CD1 3.91Å; W743-F770 HydrophobicContact CZ3-CD1 3.91Å; W743-F770 AromaticContact CZ3-CE1 3.7Å; W743-F770 HydrophobicContact CZ3-CE1 3.7Å; I746-F770 HydrophobicContact CD1-CE1 3.91Å; I746-F770 HydrophobicContact CD1-CZ 4.08Å; L765-F770 HydrophobicContact CB-CB 4.12Å; L765-F770 HydrophobicContact CB-CD1 4.01Å; L765-F770 HydrophobicContact CB-CD2 3.65Å; L765-F770 HydrophobicContact CB-CE1 4.35Å; L765-F770 HydrophobicContact CB-CE2 4.02Å; L765-F770 HydrophobicContact CB-CG 3.69Å; L765-F770 HydrophobicContact CB-CZ 4.37Å; L765-F770 HydrophobicContact CD1-CD1 3.74Å; L765-F770 HydrophobicContact CD1-CE1 4.11Å; L765-F770 HydrophobicContact CD1-CG 4.19Å; L765-F770 HydrophobicContact CD2-CE1 4.45Å; L765-F770 HydrophobicContact CG-CD1 4.39Å; D767-F770 HydrophobicContact CB-CD2 3.48Å; D767-F770 VanDerWaalsContact CB-CD2 3.48Å; D767-F770 HydrophobicContact CB-CE2 3.6Å; D767-F770 WeakPolarHBondContact O-CB 3.36Å; D767-F770 WeakPolarHBondContact O-CD2 3.35Å; D767-F770 PolarHBondContact O-N 3Å; D767-F770 VanDerWaalsContact O-N 3.11Å; E768-F770 VanDerWaalsContact C-N 3.27Å; E768-F770 PolarHBondContact O-N 3.49Å; F770-S772 PolarHBondContact O-N 2.93Å; F770-Q776 WeakPolarHBondContact O-CG 3.4Å
771A94.2Very high91.6Very high32 Ų3233 Ų3326%0.26419%0.189SC..G310 helixtrans-68.6-15.6-177.500000113.8I559 E768 R769 Q776 V789I559-A771 HydrophobicContact CG2-CB 4.15Å; E768-A771 WeakPolarHBondContact O-CB 3.37Å; E768-A771 PolarHBondContact O-N 3.01Å; R769-A771 PolarHBondContact O-N 2.96Å; A771-Q776 PolarHBondContact O-NE2 3.36Å; A771-Q776 VanDerWaalsContact O-NE2 3.16Å; A771-V789 HydrophobicContact CB-CG1 3.92Å; A771-V789 HydrophobicContact CB-CG2 4.28Å
772S92.9Very high90.9Very high59 Ų5935 Ų3541%0.41320%0.196SC..SBendtrans-77.1137.818068.80000112.9R769 F770 N774 A775 Q776R769-S772 PolarHBondContact O-N 3.35Å; R769-S772 PolarHBondContact O-OG 3.26Å; F770-S772 PolarHBondContact O-N 2.93Å; S772-N774 PolarHBondContact O-N 2.87Å; S772-N774 VanDerWaalsContact O-N 3.16Å; S772-A775 WeakPolarHBondContact O-CA 3.46Å; S772-A775 VanDerWaalsContact O-CB 3.32Å; S772-A775 WeakPolarHBondContact O-CB 3.27Å; S772-A775 PolarHBondContact O-N 3.03Å; S772-A775 VanDerWaalsContact OG-CB 3.25Å; S772-A775 WeakPolarHBondContact OG-CB 3.26Å; S772-A775 PolarHBondContact OG-N 3.02Å; S772-Q776 PolarHBondContact O-N 3.29Å; S772-Q776 VanDerWaalsContact O-N 3.1Å
773N89.1Confident90.5Very high128 Ų12835 Ų3568%0.68420%0.196SC*.Hα-helixtrans-55.6-37.3-179-61.911.8000112.7A775 Q776 L777N773-A775 PolarHBondContact O-N 3.04Å; N773-Q776 PolarHBondContact O-N 3.03Å; N773-L777 WeakPolarHBondContact O-CG 3.5Å; N773-L777 PolarHBondContact O-N 3.48Å; N773-L777 VanDerWaalsContact O-N 3.1Å
774N87.8Confident89.9Confident120 Ų12037.6 Ų37.664%0.64221%0.209SC*.Hα-helixtrans-64.5-38.6176.7-16910.2000111.8S772 N778S772-N774 PolarHBondContact O-N 2.87Å; S772-N774 VanDerWaalsContact O-N 3.16Å; N774-N778 PolarHBondContact O-ND2 3.44Å
775A88.9Confident88.9Confident9 Ų942.8 Ų42.87%0.07424%0.24CC..Hα-helixtrans-62.6-47.317300000111.3W743 R769 S772 N773 L777 N778W743-A775 HydrophobicContact CH2-CB 3.73Å; W743-A775 VanDerWaalsContact CH2-O 3.24Å; W743-A775 WeakPolarHBondContact CH2-O 3.34Å; W743-A775 HydrophobicContact CZ2-CB 3.55Å; W743-A775 WeakPolarHBondContact CZ2-O 3.42Å; R769-A775 VanDerWaalsContact O-CB 3.23Å; R769-A775 WeakPolarHBondContact O-CB 3.36Å; S772-A775 WeakPolarHBondContact O-CA 3.46Å; S772-A775 VanDerWaalsContact O-CB 3.32Å; S772-A775 WeakPolarHBondContact O-CB 3.27Å; S772-A775 PolarHBondContact O-N 3.03Å; S772-A775 VanDerWaalsContact OG-CB 3.25Å; S772-A775 WeakPolarHBondContact OG-CB 3.26Å; S772-A775 PolarHBondContact OG-N 3.02Å; N773-A775 PolarHBondContact O-N 3.04Å; A775-L777 VanDerWaalsContact C-N 3.3Å; A775-L777 PolarHBondContact O-N 2.98Å; A775-N778 PolarHBondContact O-N 3.22Å
776Q90Very high88.1Confident38 Ų3845.9 Ų45.918%0.17825%0.254CS..Hα-helixtrans-60.6-35.6-178.8-62.6176.331.500113.1I559 F770 A771 S772 N773 N778 L779I559-Q776 HydrophobicContact CD1-CG 3.94Å; F770-Q776 WeakPolarHBondContact O-CG 3.4Å; A771-Q776 PolarHBondContact O-NE2 3.36Å; A771-Q776 VanDerWaalsContact O-NE2 3.16Å; S772-Q776 PolarHBondContact O-N 3.29Å; S772-Q776 VanDerWaalsContact O-N 3.1Å; N773-Q776 PolarHBondContact O-N 3.03Å; Q776-N778 PolarHBondContact O-N 3.46Å; Q776-N778 VanDerWaalsContact O-N 3.16Å; Q776-L779 WeakPolarHBondContact O-CB 3.4Å; Q776-L779 PolarHBondContact O-N 2.99Å; Q776-L779 VanDerWaalsContact O-N 3.13Å
777L86.3Confident87.6Confident103 Ų10347 Ų4754%0.53926%0.262SS..THydrogen-bonded Turntrans-64.7-13.7176.4-72.2170000114.8N773 A775 Q784N773-L777 WeakPolarHBondContact O-CG 3.5Å; N773-L777 PolarHBondContact O-N 3.48Å; N773-L777 VanDerWaalsContact O-N 3.1Å; A775-L777 VanDerWaalsContact C-N 3.3Å; A775-L777 PolarHBondContact O-N 2.98Å; L777-Q784 PolarHBondContact O-NE2 3.47Å; L777-Q784 VanDerWaalsContact O-NE2 3.16Å
778N86.9Confident87.4Confident38 Ų3851.7 Ų51.720%0.20328%0.282CS..THydrogen-bonded Turntrans-91.8-7.1176.1-71.4-98.5000113.5W743 N747 N774 A775 Q776W743-N778 HydrophobicContact CB-CB 3.96Å; W743-N778 HydrophobicContact CD2-CB 3.41Å; W743-N778 VanDerWaalsContact CD2-CB 3.41Å; W743-N778 HydrophobicContact CE3-CB 3.97Å; W743-N778 HydrophobicContact CG-CB 3.37Å; W743-N778 HydrophobicContact CZ2-CB 4.42Å; N747-N778 PolarHBondContact ND2-O 3.03Å; N747-N778 VanDerWaalsContact ND2-O 3.16Å; N774-N778 PolarHBondContact O-ND2 3.44Å; A775-N778 PolarHBondContact O-N 3.22Å; Q776-N778 PolarHBondContact O-N 3.46Å; Q776-N778 VanDerWaalsContact O-N 3.16Å
779L86.7Confident87.4Confident1 Ų152 Ų521%0.00529%0.287CS..SBendtrans-70.5152.4168.1-66.5168.6000110L557 W743 I746 L765 Q776 M783 Q784L557-L779 HydrophobicContact CD1-CD1 4.2Å; W743-L779 HydrophobicContact CE3-CD2 4.22Å; W743-L779 HydrophobicContact CZ3-CD2 3.82Å; W743-L779 HydrophobicContact CZ3-CG 4.03Å; I746-L779 HydrophobicContact CG2-CD2 4.37Å; L765-L779 HydrophobicContact CD1-CD1 3.98Å; L765-L779 HydrophobicContact CD1-CD2 4.13Å; Q776-L779 WeakPolarHBondContact O-CB 3.4Å; Q776-L779 PolarHBondContact O-N 2.99Å; Q776-L779 VanDerWaalsContact O-N 3.13Å; L779-M783 HydrophobicContact CB-CB 4.39Å; L779-M783 HydrophobicContact CB-CE 4.24Å; L779-M783 HydrophobicContact CD2-CE 4.11Å; L779-Q784 HydrophobicContact CB-CG 4.29Å; L779-Q784 PolarHBondContact O-NE2 3.49Å
780A81.6Confident87.4Confident4 Ų450 Ų503%0.03328%0.28CS..  trans-59142.517300000111.4N747 W782 M783N747-A780 PolarHBondContact OD1-N 3.33Å; A780-W782 PolarHBondContact O-N 3.46Å; A780-M783 HydrophobicContact CB-CE 3.85Å; A780-M783 WeakPolarHBondContact O-CB 3.49Å; A780-M783 PolarHBondContact O-N 3.4Å
781G79.6Confident87Confident41 Ų4156 Ų5642%0.42331%0.312SS..Hα-helixtrans-55.3-32.5-166.900000115.7M783 Q784G781-M783 PolarHBondContact O-N 2.86Å; G781-Q784 PolarHBondContact O-N 3.08Å
782W79.9Confident86.8Confident42 Ų4257.6 Ų57.616%0.15932%0.316CS..Hα-helixtrans-66-20.5177.167.1-89.1000114.1H548 I550 L555 I754 A780H548-W782 HydrophobicContact CB-CB 3.73Å; H548-W782 HydrophobicContact CB-CD2 4.29Å; H548-W782 HydrophobicContact CB-CE3 4.46Å; H548-W782 HydrophobicContact CB-CG 3.99Å; H548-W782 AromaticContact CD2-CD2 3.42Å; H548-W782 VanDerWaalsContact CD2-CD2 3.42Å; H548-W782 AromaticContact CD2-CE2 3.61Å; H548-W782 AromaticContact CD2-CE3 3.61Å; H548-W782 AromaticContact CD2-CG 3.82Å; H548-W782 AromaticContact CD2-CZ3 3.98Å; I550-W782 HydrophobicContact CD1-CZ3 4.42Å; L555-W782 HydrophobicContact CD1-CH2 4.42Å; L555-W782 HydrophobicContact CD1-CZ3 3.87Å; L555-W782 HydrophobicContact CD2-CE3 3.81Å; L555-W782 HydrophobicContact CD2-CH2 4.32Å; L555-W782 HydrophobicContact CD2-CZ3 3.41Å; L555-W782 VanDerWaalsContact CD2-CZ3 3.41Å; L555-W782 HydrophobicContact CG-CZ3 4.19Å; I754-W782 HydrophobicContact CG1-CH2 4.48Å; I754-W782 HydrophobicContact CG1-CZ3 4.41Å; A780-W782 PolarHBondContact O-N 3.46Å
783M85.8Confident86.9Confident1 Ų154.9 Ų54.91%0.00530%0.297CS..Hα-helixtrans-92.4-29.9177.2-62.8-167.8-79.500113.3L555 L557 N747 V750 I763 L779 A780 G781 T785 K786L555-M783 HydrophobicContact CD2-CG 4.15Å; L557-M783 HydrophobicContact CD1-CB 3.77Å; L557-M783 HydrophobicContact CD1-CG 4.32Å; L557-M783 HydrophobicContact CD1-SD 4.16Å; N747-M783 WeakPolarHBondContact OD1-CE 3.27Å; V750-M783 HydrophobicContact CB-SD 4.32Å; V750-M783 HydrophobicContact CG1-CE 4.2Å; V750-M783 HydrophobicContact CG1-SD 3.35Å; V750-M783 WeakPolarHBondContact CG1-SD 3.49Å; I763-M783 HydrophobicContact CD1-SD 3.95Å; L779-M783 HydrophobicContact CB-CB 4.39Å; L779-M783 HydrophobicContact CB-CE 4.24Å; L779-M783 HydrophobicContact CD2-CE 4.11Å; A780-M783 HydrophobicContact CB-CE 3.85Å; A780-M783 WeakPolarHBondContact O-CB 3.49Å; A780-M783 PolarHBondContact O-N 3.4Å; G781-M783 PolarHBondContact O-N 2.86Å; M783-T785 PolarHBondContact O-N 3.32Å; M783-K786 PolarHBondContact O-N 2.9Å
784Q82.7Confident87.1Confident55 Ų5555.1 Ų55.126%0.25729%0.294SS..Hα-helixtrans-57.6-36.3-171.2-64-176.26.600112.9L777 L779 G781 K786L777-Q784 PolarHBondContact O-NE2 3.47Å; L777-Q784 VanDerWaalsContact O-NE2 3.16Å; L779-Q784 HydrophobicContact CB-CG 4.29Å; L779-Q784 PolarHBondContact O-NE2 3.49Å; G781-Q784 PolarHBondContact O-N 3.08Å; Q784-K786 PolarHBondContact O-N 3.02Å
785T77.1Confident87.4Confident109 Ų10953.8 Ų53.867%0.66929%0.287SS*.THydrogen-bonded Turntrans-76.21.3-179.764.60000114.3M783M783-T785 PolarHBondContact O-N 3.32Å
786K79.6Confident87.8Confident65 Ų6553.4 Ų53.428%0.28328%0.283SS..THydrogen-bonded Turntrans-121.30.3-175.1-61.7-66.6135.1172.60114.5P552 L557 M783 Q784 K788P552-K786 VanDerWaalsContact O-CD 3.23Å; P552-K786 WeakPolarHBondContact O-CD 3.31Å; P552-K786 WeakPolarHBondContact O-CE 3.35Å; P552-K786 PolarHBondContact O-NZ 3.02Å; L557-K786 HydrophobicContact CB-CB 4.36Å; L557-K786 VanDerWaalsContact O-O 3.12Å; M783-K786 PolarHBondContact O-N 2.9Å; Q784-K786 PolarHBondContact O-N 3.02Å; K786-K788 PolarHBondContact O-N 3.14Å; K786-K788 VanDerWaalsContact O-N 3.14Å
787C87.1Confident88.1Confident25 Ų2553.4 Ų53.417%0.16929%0.286CS..EExtended strand (participates in β ladder)trans-67.1105.8178.5-63.80000112L557 I559L557-C787 HydrophobicContact CD2-CB 4.45Å; I559-C787 HydrophobicContact CD1-CB 3.9Å
788K93.6Very high88.5Confident97 Ų9754.8 Ų54.842%0.42229%0.287SS..EExtended strand (participates in β ladder)trans-100.3134.7165-75177.5172.7175.30109.6L557 I559 K786 Y790 D799L557-K788 PolarHBondContact O-N 2.98Å; I559-K788 PolarHBondContact N-O 3.2Å; K786-K788 PolarHBondContact O-N 3.14Å; K786-K788 VanDerWaalsContact O-N 3.14Å; K788-Y790 HydrophobicContact CB-CD2 4.12Å; K788-Y790 HydrophobicContact CB-CE2 3.41Å; K788-Y790 VanDerWaalsContact CB-CE2 3.41Å; K788-Y790 HydrophobicContact CD-CE2 4.14Å; K788-Y790 WeakPolarHBondContact CD-OH 3.38Å; K788-Y790 HydrophobicContact CG-CE2 4.46Å; K788-D799 IonicContact NZ-OD2 2.65Å; K788-D799 PolarHBondContact NZ-OD2 2.81Å
789V94.8Very high88.9Confident62 Ų6255.1 Ų55.138%0.37629%0.289SS..EExtended strand (participates in β ladder)trans-102.6125.5173-175.70000109.2I559 P561 A771I559-V789 HydrophobicContact CB-CB 4.48Å; I559-V789 HydrophobicContact CB-CG2 4.04Å; I559-V789 HydrophobicContact CD1-CG2 3.99Å; I559-V789 HydrophobicContact CG2-CG1 4.31Å; I559-V789 HydrophobicContact CG2-CG2 4.19Å; P561-V789 HydrophobicContact CG-CG1 4.4Å; A771-V789 HydrophobicContact CB-CG1 3.92Å; A771-V789 HydrophobicContact CB-CG2 4.28Å
790Y95.1Very high89.4Confident19 Ų1955 Ų558%0.07529%0.289CS..  trans-116.5121.9-177.2-60.4-103.3000111S558 I559 P561 K788 L795 V796 D799S558-Y790 WeakPolarHBondContact OG-CE2 3.37Å; I559-Y790 PolarHBondContact O-N 3.21Å; P561-Y790 WeakPolarHBondContact CD-O 3.4Å; K788-Y790 HydrophobicContact CB-CD2 4.12Å; K788-Y790 HydrophobicContact CB-CE2 3.41Å; K788-Y790 VanDerWaalsContact CB-CE2 3.41Å; K788-Y790 HydrophobicContact CD-CE2 4.14Å; K788-Y790 WeakPolarHBondContact CD-OH 3.38Å; K788-Y790 HydrophobicContact CG-CE2 4.46Å; Y790-L795 HydrophobicContact CD1-CB 3.94Å; Y790-L795 HydrophobicContact CE1-CB 4.43Å; Y790-V796 VanDerWaalsContact CB-CG2 3.48Å; Y790-V796 HydrophobicContact CD1-CG2 3.86Å; Y790-V796 HydrophobicContact CD2-CG2 3.88Å; Y790-V796 HydrophobicContact CE1-CG2 4.46Å; Y790-V796 HydrophobicContact CE2-CG2 4.47Å; Y790-V796 HydrophobicContact CG-CG2 3.51Å; Y790-D799 HydrophobicContact CE1-CB 4.29Å; Y790-D799 PolarHBondContact OH-OD2 3.35Å
791N87Confident90Very high127 Ų12758.6 Ų58.668%0.67931%0.307SS*.SBendtrans-88.6-4.3176.8-67.9-43.8000113.9
792N91.3Very high90.8Very high66 Ų6660.3 Ų60.335%0.35330%0.304SS..SBendtrans-134.3131.3173.9178.9-2000108.6E794 L795N792-E794 PolarHBondContact ND2-OE2 2.88Å; N792-E794 WeakPolarHBondContact OD1-CB 3.48Å; N792-E794 WeakPolarHBondContact OD1-CG 3.46Å; N792-E794 PolarHBondContact OD1-N 2.8Å; N792-L795 HydrophobicContact CB-CD1 4.42Å; N792-L795 HydrophobicContact CB-CG 4.48Å
793V93.6Very high91.5Very high3 Ų359.1 Ų59.12%0.01830%0.3CS..Hα-helixtrans-69.2-30.5-179.1-175.80000112.1I560 P564 L588 Q591 L795 V796 V797I560-V793 HydrophobicContact CG2-CG2 4.49Å; P564-V793 HydrophobicContact CB-CG2 4.49Å; P564-V793 HydrophobicContact CG-CB 4.39Å; P564-V793 HydrophobicContact CG-CG1 4.37Å; P564-V793 HydrophobicContact CG-CG2 4.11Å; L588-V793 HydrophobicContact CD1-CB 4.38Å; L588-V793 HydrophobicContact CD1-CG1 3.53Å; L588-V793 HydrophobicContact CD1-CG2 3.84Å; Q591-V793 VanDerWaalsContact OE1-CG1 3.3Å; V793-L795 PolarHBondContact O-N 2.96Å; V793-V796 WeakPolarHBondContact O-CA 3.47Å; V793-V796 VanDerWaalsContact O-CB 3.27Å; V793-V796 WeakPolarHBondContact O-CB 3.47Å; V793-V796 PolarHBondContact O-N 3.31Å; V793-V797 HydrophobicContact CG1-CG2 4.34Å; V793-V797 WeakPolarHBondContact O-CG2 3.39Å; V793-V797 PolarHBondContact O-N 3.17Å
794E93.8Very high92Very high133 Ų13359.1 Ų59.162%0.62130%0.3SS*.Hα-helixtrans-57.1-36.6178.5-61.2172.4141.500112.3N792 V797 K798N792-E794 PolarHBondContact ND2-OE2 2.88Å; N792-E794 WeakPolarHBondContact OD1-CB 3.48Å; N792-E794 WeakPolarHBondContact OD1-CG 3.46Å; N792-E794 PolarHBondContact OD1-N 2.8Å; E794-V797 PolarHBondContact O-N 3.3Å; E794-K798 PolarHBondContact O-N 2.93Å; E794-K798 VanDerWaalsContact O-N 3.1Å
795L95.1Very high92.5Very high92 Ų9262 Ų6248%0.48231%0.309SS..Hα-helixtrans-69.2-34.9175.2-62.1177.3000111.8Y790 N792 V793 K798 D799Y790-L795 HydrophobicContact CD1-CB 3.94Å; Y790-L795 HydrophobicContact CE1-CB 4.43Å; N792-L795 HydrophobicContact CB-CD1 4.42Å; N792-L795 HydrophobicContact CB-CG 4.48Å; V793-L795 PolarHBondContact O-N 2.96Å; L795-K798 PolarHBondContact O-N 3.3Å; L795-D799 WeakPolarHBondContact O-CB 3.26Å; L795-D799 PolarHBondContact O-N 3.34Å
796V95.8Very high93.4Very high0 Ų060.1 Ų60.10%029%0.294CS..Hα-helixtrans-65.4-45.3174.3-172.70000110.3I560 L592 Y764 Y790 V793 K798 D799 T800I560-V796 HydrophobicContact CD1-CG1 3.99Å; I560-V796 HydrophobicContact CD1-CG2 4.2Å; I560-V796 HydrophobicContact CG1-CG2 4.28Å; L592-V796 HydrophobicContact CD1-CG1 4.15Å; L592-V796 HydrophobicContact CD2-CB 4.32Å; L592-V796 HydrophobicContact CD2-CG1 3.86Å; Y764-V796 HydrophobicContact CD1-CG1 4.08Å; Y764-V796 HydrophobicContact CE1-CG1 3.6Å; Y790-V796 VanDerWaalsContact CB-CG2 3.48Å; Y790-V796 HydrophobicContact CD1-CG2 3.86Å; Y790-V796 HydrophobicContact CD2-CG2 3.88Å; Y790-V796 HydrophobicContact CE1-CG2 4.46Å; Y790-V796 HydrophobicContact CE2-CG2 4.47Å; Y790-V796 HydrophobicContact CG-CG2 3.51Å; V793-V796 WeakPolarHBondContact O-CA 3.47Å; V793-V796 VanDerWaalsContact O-CB 3.27Å; V793-V796 WeakPolarHBondContact O-CB 3.47Å; V793-V796 PolarHBondContact O-N 3.31Å; V796-K798 VanDerWaalsContact C-N 3.31Å; V796-K798 PolarHBondContact O-N 2.86Å; V796-D799 PolarHBondContact O-N 2.96Å; V796-T800 VanDerWaalsContact O-CB 3.23Å; V796-T800 WeakPolarHBondContact O-CB 3.38Å; V796-T800 PolarHBondContact O-N 3.04Å; V796-T800 PolarHBondContact O-OG1 3.32Å
797V96.2Very high94.1Very high38 Ų3857.4 Ų57.423%0.2328%0.283CS..Hα-helixtrans-57.8-45.3177.5178.70000110.2Q591 L592 V595 V793 E794 T800 D801Q591-V797 HydrophobicContact CB-CG2 4.43Å; L592-V797 HydrophobicContact CD2-CB 4.49Å; L592-V797 HydrophobicContact CD2-CG2 3.74Å; V595-V797 HydrophobicContact CG1-CG1 3.81Å; V595-V797 HydrophobicContact CG2-CG1 4.26Å; V793-V797 HydrophobicContact CG1-CG2 4.34Å; V793-V797 WeakPolarHBondContact O-CG2 3.39Å; V793-V797 PolarHBondContact O-N 3.17Å; E794-V797 PolarHBondContact O-N 3.3Å; V797-T800 WeakPolarHBondContact O-CB 3.35Å; V797-T800 PolarHBondContact O-N 3.45Å; V797-D801 PolarHBondContact O-N 3.46Å; V797-D801 VanDerWaalsContact O-N 3.11Å
798K95.8Very high94.2Very high132 Ų13262.3 Ų62.357%0.57430%0.298SS*.Hα-helixtrans-64.4-51.5178-172.4-170.8173-168.40113.1E794 L795 V796 T800 D801 E802E794-K798 PolarHBondContact O-N 2.93Å; E794-K798 VanDerWaalsContact O-N 3.1Å; L795-K798 PolarHBondContact O-N 3.3Å; V796-K798 VanDerWaalsContact C-N 3.31Å; V796-K798 PolarHBondContact O-N 2.86Å; K798-T800 PolarHBondContact O-N 3.46Å; K798-D801 PolarHBondContact O-N 3.35Å; K798-E802 PolarHBondContact O-N 3.44Å; K798-E802 VanDerWaalsContact O-N 3.08Å
799D95.4Very high94.1Very high45 Ų4563.9 Ų63.924%0.24131%0.311CS..Hα-helixtrans-63.4-21.7178.3-88.649.6000112.1K788 Y790 L795 V796 F803K788-D799 IonicContact NZ-OD2 2.65Å; K788-D799 PolarHBondContact NZ-OD2 2.81Å; Y790-D799 HydrophobicContact CE1-CB 4.29Å; Y790-D799 PolarHBondContact OH-OD2 3.35Å; L795-D799 WeakPolarHBondContact O-CB 3.26Å; L795-D799 PolarHBondContact O-N 3.34Å; V796-D799 PolarHBondContact O-N 2.96Å; D799-F803 WeakPolarHBondContact O-CB 3.43Å; D799-F803 PolarHBondContact O-N 3.24Å; D799-F803 VanDerWaalsContact O-N 3.1Å
800T96.3Very high93.9Very high0 Ų065.6 Ų65.60%031%0.313CS..Hα-helixtrans-76.3-50.5175.6-62.60000112.4V595 V596 I762 Y764 V796 V797 K798 E802 F803 F804V595-T800 HydrophobicContact CB-CG2 4.07Å; V595-T800 HydrophobicContact CG2-CG2 3.73Å; V596-T800 HydrophobicContact CG2-CG2 4.24Å; I762-T800 HydrophobicContact CD1-CG2 3.82Å; Y764-T800 VanDerWaalsContact OH-CG2 3.28Å; Y764-T800 WeakPolarHBondContact OH-CG2 3.35Å; Y764-T800 PolarHBondContact OH-OG1 3.13Å; V796-T800 VanDerWaalsContact O-CB 3.23Å; V796-T800 WeakPolarHBondContact O-CB 3.38Å; V796-T800 PolarHBondContact O-N 3.04Å; V796-T800 PolarHBondContact O-OG1 3.32Å; V797-T800 WeakPolarHBondContact O-CB 3.35Å; V797-T800 PolarHBondContact O-N 3.45Å; K798-T800 PolarHBondContact O-N 3.46Å; T800-E802 VanDerWaalsContact C-N 3.34Å; T800-E802 PolarHBondContact O-N 3.23Å; T800-F803 PolarHBondContact O-N 2.74Å; T800-F804 HydrophobicContact CG2-CD2 3.83Å; T800-F804 HydrophobicContact CG2-CE2 3.75Å; T800-F804 VanDerWaalsContact O-CD2 3.3Å; T800-F804 WeakPolarHBondContact O-CD2 3.42Å; T800-F804 PolarHBondContact O-N 2.99Å
801D95.1Very high93.6Very high78 Ų7866.2 Ų66.242%0.41732%0.316SS..Hα-helixtrans-59-47.7175.1174.570.2000110.9V797 K798 F803 F804 R805V797-D801 PolarHBondContact O-N 3.46Å; V797-D801 VanDerWaalsContact O-N 3.11Å; K798-D801 PolarHBondContact O-N 3.35Å; D801-F803 VanDerWaalsContact C-N 3.35Å; D801-F803 PolarHBondContact O-N 3Å; D801-F804 PolarHBondContact O-N 3.35Å; D801-R805 VanDerWaalsContact O-CB 3.26Å; D801-R805 WeakPolarHBondContact O-CB 3.2Å; D801-R805 PolarHBondContact O-N 2.81Å; D801-R805 IonicContact OD2-CZ 2.74Å; D801-R805 IonicContact OD2-NH1 3.59Å; D801-R805 PolarHBondContact OD2-NH1 3.17Å
802E95.7Very high93.1Very high78 Ų7864.4 Ų64.436%0.36431%0.311SS..Hα-helixtrans-61.8-41.9179.1-179.5163.517000112K798 T800 N806K798-E802 PolarHBondContact O-N 3.44Å; K798-E802 VanDerWaalsContact O-N 3.08Å; T800-E802 VanDerWaalsContact C-N 3.34Å; T800-E802 PolarHBondContact O-N 3.23Å; E802-N806 WeakPolarHBondContact CG-ND2 3.44Å; E802-N806 VanDerWaalsContact O-CB 3.25Å; E802-N806 WeakPolarHBondContact O-CB 3.31Å; E802-N806 PolarHBondContact O-N 3.3Å; E802-N806 PolarHBondContact O-ND2 3.25Å; E802-N806 PolarHBondContact O-OD1 2.9Å
803F95.8Very high91.9Very high17 Ų1764.1 Ų64.18%0.07531%0.314CS..Hα-helixtrans-58-53.1173.9170.8-96.7000111.9D553 N556 Y760 G761 I762 D799 T800 D801 R805 N806 M807D553-F803 WeakPolarHBondContact O-CE2 3.35Å; N556-F803 HydrophobicContact CB-CD2 3.71Å; N556-F803 HydrophobicContact CB-CE2 3.95Å; N556-F803 HydrophobicContact CB-CG 4.09Å; Y760-F803 HydrophobicContact CD2-CE1 4.47Å; G761-F803 VanDerWaalsContact O-CZ 3.26Å; G761-F803 WeakPolarHBondContact O-CZ 3.38Å; I762-F803 HydrophobicContact CB-CE1 4.43Å; I762-F803 HydrophobicContact CD1-CB 4.17Å; I762-F803 HydrophobicContact CD1-CD1 3.52Å; I762-F803 HydrophobicContact CD1-CE1 4.13Å; I762-F803 HydrophobicContact CD1-CG 3.98Å; I762-F803 HydrophobicContact CG1-CD1 3.76Å; I762-F803 HydrophobicContact CG1-CE1 3.86Å; I762-F803 HydrophobicContact CG1-CG 4.33Å; I762-F803 HydrophobicContact CG1-CZ 4.49Å; D799-F803 WeakPolarHBondContact O-CB 3.43Å; D799-F803 PolarHBondContact O-N 3.24Å; D799-F803 VanDerWaalsContact O-N 3.1Å; T800-F803 PolarHBondContact O-N 2.74Å; D801-F803 VanDerWaalsContact C-N 3.35Å; D801-F803 PolarHBondContact O-N 3Å; F803-R805 PolarHBondContact O-N 2.93Å; F803-N806 PolarHBondContact O-N 2.98Å; F803-M807 HydrophobicContact CD2-CG 4.05Å; F803-M807 HydrophobicContact CE1-CG 4.2Å; F803-M807 HydrophobicContact CE2-CG 3.71Å; F803-M807 HydrophobicContact CE2-SD 4.4Å; F803-M807 HydrophobicContact CG-CG 4.45Å; F803-M807 HydrophobicContact CZ-CG 3.8Å; F803-M807 WeakPolarHBondContact O-CB 3.44Å; F803-M807 WeakPolarHBondContact O-CG 3.36Å; F803-M807 PolarHBondContact O-N 2.81Å
804F95.2Very high89.9Confident1 Ų169.1 Ų69.10%0.00435%0.345CS..Hα-helixtrans-68.5-35-177.2-76.1-61.1000113V596 P597 R683 Y760 I762 T800 D801 R808V596-F804 HydrophobicContact CB-CE2 4.34Å; V596-F804 HydrophobicContact CG1-CE2 4.22Å; V596-F804 HydrophobicContact CG1-CZ 4.14Å; V596-F804 HydrophobicContact CG2-CE2 4.06Å; P597-F804 VanDerWaalsContact CD-CD2 3.5Å; P597-F804 HydrophobicContact CG-CD1 3.78Å; P597-F804 HydrophobicContact CG-CD2 4.31Å; P597-F804 HydrophobicContact CG-CE1 4.01Å; P597-F804 HydrophobicContact CG-CG 3.94Å; P597-F804 HydrophobicContact CG-CZ 4.38Å; R683-F804 HydrophobicContact CB-CE1 3.99Å; R683-F804 HydrophobicContact CB-CZ 4.21Å; R683-F804 WeakPolarHBondContact O-CZ 3.4Å; Y760-F804 HydrophobicContact CD2-CD1 4.3Å; Y760-F804 HydrophobicContact CD2-CE1 4.4Å; Y760-F804 HydrophobicContact CE2-CD1 4.09Å; Y760-F804 HydrophobicContact CE2-CE1 4.47Å; I762-F804 HydrophobicContact CB-CE2 4.34Å; I762-F804 HydrophobicContact CB-CZ 4.04Å; I762-F804 HydrophobicContact CD1-CE2 3.93Å; I762-F804 HydrophobicContact CD1-CZ 4.35Å; T800-F804 HydrophobicContact CG2-CD2 3.83Å; T800-F804 HydrophobicContact CG2-CE2 3.75Å; T800-F804 VanDerWaalsContact O-CD2 3.3Å; T800-F804 WeakPolarHBondContact O-CD2 3.42Å; T800-F804 PolarHBondContact O-N 2.99Å; D801-F804 PolarHBondContact O-N 3.35Å; F804-R808 WeakPolarHBondContact O-CB 3.49Å; F804-R808 VanDerWaalsContact O-CG 3.29Å; F804-R808 WeakPolarHBondContact O-CG 3.29Å; F804-R808 PolarHBondContact O-N 3.31Å
805R94.2Very high87.6Confident116 Ų11667.5 Ų67.544%0.43834%0.341SS..Hα-helixtrans-61.9-47.9172.7-176.3178.266.7-137.32.5111.2D801 F803 N809D801-R805 VanDerWaalsContact O-CB 3.26Å; D801-R805 WeakPolarHBondContact O-CB 3.2Å; D801-R805 PolarHBondContact O-N 2.81Å; D801-R805 IonicContact OD2-CZ 2.74Å; D801-R805 IonicContact OD2-NH1 3.59Å; D801-R805 PolarHBondContact OD2-NH1 3.17Å; F803-R805 PolarHBondContact O-N 2.93Å; R805-N809 VanDerWaalsContact O-CG 3.31Å; R805-N809 PolarHBondContact O-N 3.09Å; R805-N809 PolarHBondContact O-ND2 3.06Å
806N95Very high84.6Confident68 Ų6874 Ų7436%0.36436%0.358SS..Hα-helixtrans-67.7-39.9-179.6-66.9-10.4000111.7E802 F803 N809 K810E802-N806 WeakPolarHBondContact CG-ND2 3.44Å; E802-N806 VanDerWaalsContact O-CB 3.25Å; E802-N806 WeakPolarHBondContact O-CB 3.31Å; E802-N806 PolarHBondContact O-N 3.3Å; E802-N806 PolarHBondContact O-ND2 3.25Å; E802-N806 PolarHBondContact O-OD1 2.9Å; F803-N806 PolarHBondContact O-N 2.98Å; N806-N809 PolarHBondContact O-N 3.36Å; N806-K810 PolarHBondContact O-N 2.9Å; N806-K810 VanDerWaalsContact O-N 3.15Å
807M93.7Very high81.3Confident9 Ų979.6 Ų79.64%0.04440%0.395CS..Hα-helixtrans-69.9-39.8178.8-71.1-56.9111.400113.4D553 Q554 Y760 F803 N809 K810 Y811D553-M807 HydrophobicContact CB-CE 4.27Å; D553-M807 VanDerWaalsContact O-CE 3.26Å; D553-M807 WeakPolarHBondContact O-CE 3.37Å; Q554-M807 HydrophobicContact CG-SD 4.14Å; Y760-M807 HydrophobicContact CD1-CB 4.09Å; Y760-M807 HydrophobicContact CD2-CB 3.42Å; Y760-M807 VanDerWaalsContact CD2-CB 3.42Å; Y760-M807 HydrophobicContact CD2-CG 3.93Å; Y760-M807 HydrophobicContact CE1-CB 4.3Å; Y760-M807 HydrophobicContact CE2-CB 3.67Å; Y760-M807 HydrophobicContact CG-CB 3.65Å; Y760-M807 HydrophobicContact CG-CG 3.98Å; F803-M807 HydrophobicContact CD2-CG 4.05Å; F803-M807 HydrophobicContact CE1-CG 4.2Å; F803-M807 HydrophobicContact CE2-CG 3.71Å; F803-M807 HydrophobicContact CE2-SD 4.4Å; F803-M807 HydrophobicContact CG-CG 4.45Å; F803-M807 HydrophobicContact CZ-CG 3.8Å; F803-M807 WeakPolarHBondContact O-CB 3.44Å; F803-M807 WeakPolarHBondContact O-CG 3.36Å; F803-M807 PolarHBondContact O-N 2.81Å; M807-N809 PolarHBondContact O-N 3.3Å; M807-K810 PolarHBondContact O-N 3.22Å; M807-Y811 PolarHBondContact O-N 2.94Å; M807-Y811 HydrophobicContact SD-CD2 3.92Å; M807-Y811 HydrophobicContact SD-CE2 3.84Å
808R90.2Very high78.5Confident128 Ų12884.7 Ų84.748%0.48342%0.42SS..Hα-helixtrans-60-35.7174.1-73.6179.9-141.3179.69.9112.4F804 Y811 P812F804-R808 WeakPolarHBondContact O-CB 3.49Å; F804-R808 VanDerWaalsContact O-CG 3.29Å; F804-R808 WeakPolarHBondContact O-CG 3.29Å; F804-R808 PolarHBondContact O-N 3.31Å; R808-Y811 CarbonylContact O-C 3.6Å; R808-P812 WeakPolarHBondContact O-CA 3.32Å
809N90.1Very high75.2Confident129 Ų12987.4 Ų87.469%0.6944%0.435SS*.Hα-helixtrans-71.4-35.9177.2-67.7-14.4000112.6R805 N806 M807R805-N809 VanDerWaalsContact O-CG 3.31Å; R805-N809 PolarHBondContact O-N 3.09Å; R805-N809 PolarHBondContact O-ND2 3.06Å; N806-N809 PolarHBondContact O-N 3.36Å; M807-N809 PolarHBondContact O-N 3.3Å
810K91.5Very high72.1Confident99 Ų9990 Ų9043%0.4346%0.457SS..Hα-helixtrans-83.9-33.4-178.9-169.7177.7178.3-1710113.2D553 N806 M807D553-K810 IonicContact OD1-NZ 3.7Å; D553-K810 PolarHBondContact OD1-NZ 3.29Å; D553-K810 WeakPolarHBondContact OD2-CD 3.46Å; D553-K810 IonicContact OD2-NZ 2.66Å; D553-K810 PolarHBondContact OD2-NZ 3.42Å; N806-K810 PolarHBondContact O-N 2.9Å; N806-K810 VanDerWaalsContact O-N 3.15Å; M807-K810 PolarHBondContact O-N 3.22Å
811Y88.4Confident68.8Low32 Ų3296.2 Ų96.213%0.12550%0.495CS..SBendtrans-130.970.6-178.6-54.4-73.2000109.8N551 Q554 K758 Y760 M807 R808N551-Y811 PolarHBondContact ND2-OH 2.66Å; N551-Y811 VanDerWaalsContact ND2-OH 3.1Å; Q554-Y811 VanDerWaalsContact CD-CZ 3.45Å; Q554-Y811 VanDerWaalsContact CD-OH 3.32Å; Q554-Y811 HydrophobicContact CG-CD2 4.13Å; Q554-Y811 HydrophobicContact CG-CE2 3.31Å; Q554-Y811 PolarHBondContact OE1-OH 3.42Å; K758-Y811 HydrophobicContact CB-CD1 4.41Å; K758-Y811 HydrophobicContact CG-CD1 4.38Å; Y760-Y811 HydrophobicContact CD1-CD2 4.2Å; Y760-Y811 HydrophobicContact CD1-CG 4.4Å; M807-Y811 PolarHBondContact O-N 2.94Å; M807-Y811 HydrophobicContact SD-CD2 3.92Å; M807-Y811 HydrophobicContact SD-CE2 3.84Å; R808-Y811 CarbonylContact O-C 3.6Å
812P77.3Confident65.4Low88 Ų8897 Ų9757%0.57151%0.507SS*.  trans-62.3138.5173.327-34.7000110R808 T814R808-P812 WeakPolarHBondContact O-CA 3.32Å; P812-T814 PolarHBondContact O-N 3.48Å; P812-T814 VanDerWaalsContact O-N 3.16Å
813S64.9Low62.2Low61 Ų6199.9 Ų99.943%0.42752%0.523SS..  trans-59.9117.2-179.1-46.50000110.6D815S813-D815 WeakPolarHBondContact CB-OD2 3.26Å; S813-D815 PolarHBondContact O-N 2.87Å
814T52.5Low59Low108 Ų108104.1 Ų104.166%0.66355%0.55SS*.  trans-88.367.7168.554.10000109P812 R816P812-T814 PolarHBondContact O-N 3.48Å; P812-T814 VanDerWaalsContact O-N 3.16Å; T814-R816 VanDerWaalsContact C-N 3.34Å; T814-R816 PolarHBondContact O-N 3.48Å
815D45.1Very low55.7Low99 Ų99110.3 Ų110.353%0.52958%0.583SS.*  trans-64.193.7176.9-73.5-68.8000109.9S813S813-D815 WeakPolarHBondContact CB-OD2 3.26Å; S813-D815 PolarHBondContact O-N 2.87Å
816R31.5Very low52.5Low227 Ų227111.2 Ų111.286%0.85760%0.597SS**PPolyproline II helixtrans-63.5127.3149.8-72.9-173.7175.3-165.2-1.5105.8T814 L818T814-R816 VanDerWaalsContact C-N 3.34Å; T814-R816 PolarHBondContact O-N 3.48Å; R816-L818 PolarHBondContact O-N 2.87Å
817P28.5Very low49.4Very low118 Ų118112.8 Ų112.877%0.76661%0.609SS**PPolyproline II helixtrans-50.8136.7168.8-24.533.6000108.9E819P817-E819 PolarHBondContact O-N 3.12Å
818L36.6Very low46.3Very low145 Ų145120.3 Ų120.376%0.75965%0.648SS**PPolyproline II helixtrans-53.5132.4157.4-90.377.8000106.3R816 S820R816-L818 PolarHBondContact O-N 2.87Å; L818-S820 VanDerWaalsContact C-N 3.34Å; L818-S820 PolarHBondContact O-N 2.61Å
819E27.2Very low43.4Very low190 Ų190119.5 Ų119.589%0.88866%0.658SS**  trans-55.9107.9164.7-72.6-174.3141.400106.9P817 T821P817-E819 PolarHBondContact O-N 3.12Å; E819-T821 VanDerWaalsContact C-N 3.33Å; E819-T821 PolarHBondContact O-N 2.97Å
820S28.4Very low40.5Very low100 Ų100118.2 Ų118.270%0.69967%0.665SS**  trans-64.3102.2173.252.30000106.2L818 S822L818-S820 VanDerWaalsContact C-N 3.34Å; L818-S820 PolarHBondContact O-N 2.61Å; S820-S822 PolarHBondContact O-N 3.39Å
821T27.2Very low37.6Very low129 Ų129119.9 Ų119.979%0.79168%0.684SS**  trans-5795157.329.50000105.9E819 I823E819-T821 VanDerWaalsContact C-N 3.33Å; E819-T821 PolarHBondContact O-N 2.97Å; T821-I823 PolarHBondContact O-N 3.26Å
822S25.3Very low34.8Very low96 Ų96123.6 Ų123.667%0.67171%0.714SS**  trans-73.479.8-172.454.20000108.2S820 V824S820-S822 PolarHBondContact O-N 3.39Å; S822-V824 PolarHBondContact O-N 3Å
823I28.5Very low32.7Very low137 Ų137124.3 Ų124.370%0.70372%0.722SS**  trans-60.993.1161.5-60.8177000105.1T821 N825T821-I823 PolarHBondContact O-N 3.26Å; I823-N825 PolarHBondContact O-N 2.79Å
824V27.4Very low31Very low106 Ų106128.5 Ų128.564%0.64274%0.738SS**  trans-62.4104.6169.8176.70000105.6S822 N826S822-V824 PolarHBondContact O-N 3Å; V824-N826 PolarHBondContact O-N 2.82Å
825N27.1Very low30Very low131 Ų131133.5 Ų133.570%0.70175%0.745SS**  trans-64.786.2171.8-80.5-19.6000108.3I823 T827I823-N825 PolarHBondContact O-N 2.79Å; N825-T827 PolarHBondContact O-N 3.45Å
826N26.2Very low29.2Very low136 Ų136133.6 Ų133.673%0.72775%0.754SS**  trans-70.867.3165.5-86.7-15.6000108.8V824 L828V824-N826 PolarHBondContact O-N 2.82Å; N826-L828 PolarHBondContact O-N 2.96Å
827T28.9Very low29.3Very low101 Ų101128.7 Ų128.762%0.6275%0.748SS**  trans-69.780.5171.4-49.10000108.1N825 T829N825-T827 PolarHBondContact O-N 3.45Å; T827-T829 HydrophobicContact CG2-CG2 4.18Å; T827-T829 PolarHBondContact O-N 3.26Å; T827-T829 PolarHBondContact O-OG1 3.06Å
828L29.1Very low29.4Very low167 Ų167129.1 Ų129.187%0.87474%0.744SS**  trans-7270.8171-81.9168.6000109.8N826 A830N826-L828 PolarHBondContact O-N 2.96Å; L828-A830 PolarHBondContact O-N 2.94Å; L828-A830 VanDerWaalsContact O-N 3.07Å
829T28.8Very low29Very low110 Ų110132.4 Ų132.468%0.67575%0.747SS**  trans-65.5101.9162.528.80000108.6T827 T831T827-T829 HydrophobicContact CG2-CG2 4.18Å; T827-T829 PolarHBondContact O-N 3.26Å; T827-T829 PolarHBondContact O-OG1 3.06Å; T829-T831 PolarHBondContact O-N 2.84Å
830A31.1Very low29.2Very low103 Ų103129.4 Ų129.485%0.85174%0.741SS**  trans-60.1109.1169.700000109.1L828L828-A830 PolarHBondContact O-N 2.94Å; L828-A830 VanDerWaalsContact O-N 3.07Å
831T30Very low28.9Very low134 Ų134133.7 Ų133.782%0.82275%0.747SS**  trans-70.5138.7-173.452.50000112.4T829T829-T831 PolarHBondContact O-N 2.84Å
832S30.3Very low29.2Very low109 Ų109133 Ų13376%0.76275%0.745SS**  trans-114.7149.4144.6600000109.5
833S31.6Very low29.3Very low104 Ų104132.9 Ų132.973%0.72774%0.744SS**SBendtrans73.879.7164.5-54.50000120.4
834L29.1Very low29.3Very low148 Ų148133.7 Ų133.778%0.77575%0.749SS**  80.9134.9123-69.6158.4000123.2
835R31.6Very low29.4Very low214 Ų214137 Ų13781%0.80876%0.757SS**  trans71.3101154.3-66.8170.7-174.7-175.71.4117.1
836S29.5Very low29.3Very low101 Ų101139.6 Ų139.671%0.70676%0.762SS**  70.4127.980.472.80000113.6
837V32Very low29.4Very low123 Ų123138.9 Ų138.975%0.74577%0.768SS**  -160.715656.4160.20000112.2
838N30.7Very low29.3Very low128 Ų128140.5 Ų140.568%0.68477%0.773SS**  trans-0.9149.6154-57.7-36.1000119.4
839R28.3Very low29.3Very low214 Ų214139.7 Ų139.781%0.80878%0.775SS**  cis-163.9-172.413.3-118.4165.7-168.2171.41.7106.7
840T31.7Very low29Very low126 Ų126141.3 Ų141.377%0.77378%0.778SS**  cis-150.7-157.814.8-23.90000110.7
841K23.4Very low29Very low191 Ų191142 Ų14283%0.8378%0.776SS**  trans-151.8-177.1171.1-88.7-169.7-177.6-178.90107.4
842P32.8Very low28.8Very low115 Ų115142.3 Ų142.375%0.74777%0.773SS**  cis-123-145.38.329-1.8000111.2
843S27.7Very low28.5Very low92 Ų92145.1 Ų145.164%0.64378%0.779SS**  cis-164.3150.48-5.20000113.2
844L28Very low28.2Very low155 Ų155145.4 Ų145.481%0.81278%0.778SS**  trans63.3150.4154.9-61162.9000118.3
845E29.1Very low27.9Very low174 Ų174144.4 Ų144.481%0.81378%0.783SS**  cis-135.5178.52.4-154.4148.7-111.200112
846K26.4Very low27.6Very low186 Ų186138 Ų13881%0.80978%0.776SS**  trans-124.2145.6-169.5-69.2-179.5178.5176.80114.4
847S28.3Very low27.4Very low122 Ų122141.5 Ų141.585%0.85378%0.779SS**  trans-141.7139.1142.859.20000109.9
848N26.2Very low27Very low134 Ų134144.7 Ų144.772%0.71779%0.786SS**  trans-112.9135.9-177.3-800.8000110.5
849V27.9Very low26.8Very low151 Ų151145.3 Ų145.392%0.91579%0.788SS**  trans-133.3145.9152.3-179.90000107.7
850I24.3Very low26.6Very low144 Ų144143.2 Ų143.274%0.73879%0.793SS**  trans-115.9125.9-167.6-60.5165.8000110.3
851S29.2Very low26.3Very low117 Ų117143 Ų14382%0.81879%0.786SS**  trans-160.1145.1148.255.50000111.5
852N26Very low26.4Very low141 Ų141143.3 Ų143.375%0.75479%0.788SS**  trans-97149.3-178.3-51.7-66000110.7
853L24.4Very low26Very low167 Ų167143.2 Ų143.287%0.87479%0.79SS**  -174.4160.1115.1-116.173.7000110.4
854P25.8Very low26.1Very low111 Ų111144.2 Ų144.272%0.72179%0.794SS**  trans-96161.3-167.737.5-35.3000114.9
855S22.1Very low25.9Very low126 Ų126146.1 Ų146.188%0.88180%0.796SS**  trans-74.9132.5158.7176.30000110.3
856A25.2Very low25.8Very low79 Ų79144.4 Ų144.465%0.65380%0.797SS**  trans-158.1111.7170.300000111.2
857F27.1Very low25.7Very low175 Ų175141.8 Ų141.877%0.76879%0.792SS**  trans-164.356.8143.2-113.5-63.4000113.2
858E22.9Very low25.8Very low190 Ų190142.5 Ų142.589%0.88879%0.786SS**  trans-101.1124.3140.8-74.9-164.1138.400107.6
859L26.7Very low25.9Very low142 Ų142141.2 Ų141.274%0.74379%0.787SS**  trans-165.4100.7156.2-114.3172.7000110.3I861L859-I861 HydrophobicContact CD2-CD1 3.73Å; L859-I861 HydrophobicContact CD2-CG1 3.96Å
860N22.9Very low25.6Very low170 Ų170140.3 Ų140.391%0.90978%0.782SS**  trans-11686.3178.3-128.1-13.1000108.8
861I26.2Very low25.6Very low121 Ų121139.4 Ų139.462%0.62178%0.783SS**  trans-143.1125.3175.2-51.2179.6000104.9L859L859-I861 HydrophobicContact CD2-CD1 3.73Å; L859-I861 HydrophobicContact CD2-CG1 3.96Å
862F25.7Very low25.3Very low198 Ų198140.8 Ų140.887%0.86878%0.781SS**  cis-126.7142.535.8-74-104.7000115
863S23.7Very low25.1Very low112 Ų112141.1 Ų141.178%0.78378%0.781SS**  trans-152.1128.2137.1-170.40000108.5
864P29.4Very low25.1Very low114 Ų114140 Ų14074%0.7478%0.781SS**  trans-78.3136.7-179.131-33000111.9
865K24.5Very low24.9Very low195 Ų195139.3 Ų139.385%0.84878%0.779SS**  trans13.2132.4148.2-56.6177-178179.90116.2
866V27.9Very low25.1Very low137 Ų137143.3 Ų143.383%0.8378%0.776SS**  -157.6141.278.4148.50000111.3
867N24.4Very low25Very low132 Ų132147.2 Ų147.271%0.70678%0.781SS**  trans-80.7161.4166-62.77.6000109.4
868D29.5Very low24.8Very low137 Ų137143 Ų14373%0.73377%0.773SS**  cis-167.416847.3-125.5-46.2000114.8
869S28.5Very low25Very low106 Ų106141.3 Ų141.374%0.74177%0.77SS**  trans26.4132.6156.965.20000123
870V22.3Very low24.9Very low133 Ų133144.9 Ų144.981%0.80677%0.774SS**  trans-90.1139.6165.7170.30000111.4
871T23.4Very low24.8Very low125 Ų125142.2 Ų142.277%0.76777%0.768SS**  -179.9144.8129.2240000116.5
872L22.9Very low25.1Very low146 Ų146142.3 Ų142.376%0.76478%0.777SS**  trans58.897.3142-65167.2000123.6
873I22.2Very low25Very low148 Ų148136.4 Ų136.476%0.75977%0.771SS**  20112.1121.7-43.9171.1000118.8
874T23Very low25.4Very low143 Ų143137.2 Ų137.288%0.87777%0.774SS**  -171.8167.2114.815.80000111.9
875S22.3Very low25.4Very low96 Ų96137 Ų13767%0.67178%0.776SS**  trans-95.5156.8-172.354.80000114.3
876Y25.7Very low25.4Very low211 Ų211137.2 Ų137.283%0.82778%0.776SS**  -165.3143.5122.8-109.8-79.6000112.1
877H24.3Very low25.2Very low161 Ų161136.9 Ų136.975%0.74577%0.769SS**  trans-9.5155.4156-73.8-100.8000119.6
878S22.8Very low25.3Very low86 Ų86139 Ų13960%0.60178%0.775SS**  cis159.1133.7-15.852.70000106.1
879D25.7Very low25Very low155 Ų155138.8 Ų138.883%0.82977%0.769SS**  -177.6-178.7129.6-117.8-50.9000115.7
880R24.8Very low24.9Very low217 Ų217140 Ų14082%0.81978%0.776SS**  trans-114.9124-159.5-57.3164.7164.4-175.1-3.3117.3
881S22.1Very low25Very low113 Ų113139.1 Ų139.179%0.7977%0.767SS**  trans57.8-171.7136.976.10000119.2
882P32.8Very low25.3Very low124 Ų124141.1 Ų141.181%0.80577%0.771SS**  cis-122.9173.3-39.435.9-21.5000112.9
883G23.2Very low25.3Very low73 Ų73141 Ų14175%0.75377%0.771SS**  trans154.5158.2155.100000118.2
884P32Very low25.6Very low129 Ų129145 Ų14584%0.83878%0.778SS**  trans-138.7151.1-153.840-20.6000119.5
885S28.7Very low25.8Very low111 Ų111147.4 Ų147.478%0.77678%0.777SS**  trans-166.1133153.727.60000109
886K25.8Very low25.8Very low198 Ų198152.3 Ų152.386%0.86179%0.786SS**  52.9136.180.9-72-165.7178.7-173.90114.1
887L22Very low25.9Very low131 Ų131150 Ų15069%0.68679%0.788SS**  cis172.9125-12-150.1166.4000104.6
888H28.2Very low26Very low177 Ų177149.4 Ų149.482%0.81979%0.79SS**  trans-167.6147.8139.8-125.5-77.2000113.1
889E22.7Very low26.1Very low131 Ų131151.8 Ų151.861%0.61281%0.805SS**  trans-93.7163.1178.9-58.1161.290.700112.5N891E889-N891 PolarHBondContact OE1-ND2 3.02Å
890C26.9Very low26.3Very low132 Ų132151.6 Ų151.689%0.89280%0.803SS**  trans-145127.1134.3-156.10000109.2
891N24Very low26.3Very low115 Ų115147 Ų14762%0.61580%0.804SS**  trans-99.5147.1-174.9-69.5-57.5000111.4E889E889-N891 PolarHBondContact OE1-ND2 3.02Å
892I29Very low26.7Very low167 Ų167147.2 Ų147.286%0.85681%0.806SS**  trans-134.2125.4150-62.7-175.9000106.9
893D23.3Very low26.4Very low142 Ų142145.9 Ų145.976%0.75981%0.805SS**  trans-68.7141.7-177.5-68.1-79000113.6
894Y27.8Very low27Very low232 Ų232144.1 Ų144.191%0.9178%0.781SS**  trans-139.5147.2136.3-105.8-82.6000109.8
895K27.2Very low27.3Very low194 Ų194144.6 Ų144.684%0.84378%0.775SS**  trans-68.9148.6-162.4-66.2177.9177.9178.40113.7
896K23.8Very low27.7Very low200 Ų200142.2 Ų142.287%0.8775%0.751SS**  trans-72.3133.8154.7-68.5176.5178.1174.80109.1
897D26.7Very low28.1Very low161 Ų161137.5 Ų137.586%0.86174%0.735SS**  trans-117.4147150.8-88.9-55.5000109.3
898L25.7Very low28.6Very low150 Ų150136.6 Ų136.679%0.78574%0.735SS**  trans-103.384.5-161.6-164.180.7000111.8L900L898-L900 PolarHBondContact O-N 2.97Å; L898-L900 VanDerWaalsContact O-N 3.08Å
899C26.8Very low28.9Very low136 Ų136133.1 Ų133.192%0.91973%0.726SS**  trans-7694.4172-98.90000111.7
900L27.9Very low29.1Very low150 Ų150135 Ų13579%0.78573%0.729SS**  trans-65.9130164-76.9159.6000110L898 S902L898-L900 PolarHBondContact O-N 2.97Å; L898-L900 VanDerWaalsContact O-N 3.08Å; L900-S902 PolarHBondContact O-N 3.16Å
901S26.4Very low29.1Very low121 Ų121134.9 Ų134.985%0.84672%0.718SS**  trans-73.9106.6176.455.20000110.8
902S29.7Very low29.1Very low118 Ų118138.3 Ų138.383%0.82573%0.73SS**PPolyproline II helixtrans-69.1140.7170.843.40000111.5L900L900-S902 PolarHBondContact O-N 3.16Å
903A27.8Very low29Very low96 Ų96136.3 Ų136.379%0.79373%0.731SS**PPolyproline II helixtrans-75.1145.4167.600000110I905A903-I905 PolarHBondContact O-N 2.85Å
904S34.7Very low29.1Very low36 Ų36138 Ų13825%0.25273%0.734SS.*PPolyproline II helixtrans-69.9131.7175.1-179.40000109.9E291 F906 D907E291-S904 PolarHBondContact OE1-OG 2.77Å; S904-F906 PolarHBondContact O-N 3.21Å; S904-D907 PolarHBondContact O-N 2.92Å
905I39.1Very low29.1Very low139 Ų139133.8 Ų133.871%0.71373%0.728SS**G310 helixtrans-64.6-14.6-175.5-150.4165.4000113A903A903-I905 PolarHBondContact O-N 2.85Å
906F36Very low29.1Very low61 Ų61131.4 Ų131.427%0.26872%0.723SS.*G310 helixtrans-80.5-14.9-179.1-80-71.8000115.4E291 L294 S904 T908E291-F906 HydrophobicContact CG-CD2 4.33Å; L294-F906 HydrophobicContact CD1-CE2 3.48Å; L294-F906 VanDerWaalsContact CD1-CE2 3.48Å; L294-F906 HydrophobicContact CD1-CZ 3.32Å; S904-F906 PolarHBondContact O-N 3.21Å; F906-T908 VanDerWaalsContact C-N 3.28Å
907D35.2Very low29.3Very low98 Ų98129.9 Ų129.952%0.52472%0.724SS.*G310 helixtrans-84.2-8.3-176.2-58.7-36.3000112K287 S904K287-D907 IonicContact NZ-OD1 2.97Å; K287-D907 PolarHBondContact NZ-OD1 3.41Å; K287-D907 IonicContact NZ-OD2 3.21Å; K287-D907 PolarHBondContact NZ-OD2 2.91Å; S904-D907 PolarHBondContact O-N 2.92Å
908T32.6Very low29.4Very low113 Ų113129 Ų12969%0.69372%0.715SS**G310 helixtrans-93.58.1-179.8-29.60000114.3F906F906-T908 VanDerWaalsContact C-N 3.28Å
909V33.5Very low29.5Very low104 Ų104128 Ų12863%0.6371%0.71SS**SBendtrans-93.3-6.8-172.4-176.30000113.4
910Y28Very low29.5Very low169 Ų169130.7 Ų130.766%0.66371%0.706SS**SBendtrans-124.315.6-172.7-89.9-86.4000115.2
911I25.2Very low29.5Very low131 Ų131132.6 Ų132.667%0.67271%0.705SS**SBendtrans-134.1148.5179.4-64.1-178.2000109.9
912E25.6Very low29.4Very low186 Ų186133.9 Ų133.987%0.86970%0.701SS**  trans68.4102.4173.6-82.4167.2-142.800118.6
913S25.4Very low29.3Very low125 Ų125132.5 Ų132.587%0.87469%0.691SS**  trans-146.551.4146.478.60000112.1
914E26.1Very low29.3Very low177 Ų177134.3 Ų134.383%0.82769%0.687SS**SBendtrans-103105.3163.7-75.3-157.5151.400110.7
915N28.3Very low28.8Very low145 Ų145137.4 Ų137.478%0.77571%0.708SS**  trans55.699.7155.6-51.8-42.5000118.7
916I26.6Very low28.1Very low143 Ų143138.3 Ų138.373%0.73371%0.714SS**  trans-114.3107.1146.3-62.2179.3000107.9Q918I916-Q918 HydrophobicContact CG2-CB 4.43Å; I916-Q918 HydrophobicContact CG2-CG 3.74Å
917D28.3Very low27.6Very low168 Ų168140.3 Ų140.390%0.89874%0.736SS**  trans-97.4126.7159.1-102.3-38.1000108.7
918Q28.5Very low27.1Very low142 Ų142146.7 Ų146.766%0.66475%0.754SS**  trans-140.1144.2179.2-86.6-167.629.400107.8I916I916-Q918 HydrophobicContact CG2-CB 4.43Å; I916-Q918 HydrophobicContact CG2-CG 3.74Å
919N27.3Very low26.9Very low130 Ų130147.1 Ų147.170%0.69576%0.761SS**  cis-150.9163.21.9-93-43.1000108
920K27.6Very low26.4Very low192 Ų192146.1 Ų146.184%0.83576%0.759SS**  trans-149.596.1148.8-135170.5-174178.50116.7
921Y26.8Very low26.3Very low191 Ų191144.6 Ų144.675%0.74976%0.762SS**  trans68.5116.4141.2-82-119.9000121
922I24.8Very low26.4Very low148 Ų148145.5 Ų145.576%0.75977%0.767SS**  65.9131.8125-63-170.2000117.3
923S27.9Very low26.5Very low88 Ų88142.7 Ų142.762%0.61576%0.758SS**  cis-151-177.619.255.60000115.5
924D26.9Very low26.5Very low135 Ų135145 Ų14572%0.72275%0.754SS**  trans78.885.2145.2-56.8-32.6000123.9
925C25.4Very low26.6Very low101 Ų101146 Ų14668%0.68276%0.759SS**  41.5126.5123.764.70000125
926N23.4Very low26.6Very low157 Ų157147.1 Ų147.184%0.8476%0.757SS**  trans47.8125132.3-57.2-8.7000119.8
927S27.1Very low26.6Very low104 Ų104147 Ų14773%0.72776%0.757SS**  179.4167.653.248.10000113.8
928Y23.7Very low26.5Very low231 Ų231146.6 Ų146.691%0.90675%0.754SS**  trans40.4112.6161-73.3-72000121.5
929S28.3Very low26.3Very low122 Ų122148.1 Ų148.185%0.85376%0.761SS**  -155.9150108.9-171.60000110.9
930S24Very low26.3Very low84 Ų84154 Ų15459%0.58777%0.774SS**  trans-81.2172.9165.8-168.20000110.9
931D24.5Very low26.3Very low136 Ų136151.2 Ų151.273%0.72776%0.762SS**  trans59.380.7157.8-58.1-62000118
932I28.6Very low26.2Very low151 Ų151148.6 Ų148.677%0.77477%0.768SS**  trans-170.384.4135.9-90.7144.6000108.1
933L28.1Very low26.3Very low127 Ų127147.2 Ų147.267%0.66577%0.77SS**SBendtrans-150.1-34.8167.2-149.765.9000115.6Q935 K936L933-Q935 PolarHBondContact O-N 3.39Å; L933-K936 PolarHBondContact O-N 2.98Å
934E24.2Very low26.1Very low173 Ų173150.6 Ų150.681%0.80877%0.774SS**G310 helixtrans-60.7-29.3-178.6-67.6-165.1119.900113.9K936E934-K936 VanDerWaalsContact C-N 3.29Å; E934-K936 PolarHBondContact O-N 3.45Å
935Q28.1Very low26.1Very low199 Ų199155.6 Ų155.693%0.9378%0.783SS**G310 helixtrans-78.81.5-179.3-69.9-168-6.800115.4L933L933-Q935 PolarHBondContact O-N 3.39Å
936K28.9Very low26.2Very low168 Ų168158.4 Ų158.473%0.7379%0.789SS**G310 helixtrans-114.8-9.2179.3-74.5-176.2179.1173.30115.6L933 E934L933-K936 PolarHBondContact O-N 2.98Å; E934-K936 VanDerWaalsContact C-N 3.29Å; E934-K936 PolarHBondContact O-N 3.45Å
937L27.6Very low26.3Very low140 Ų140160.4 Ų160.473%0.73379%0.79SS**SBendtrans-95.9-9-175.9-66.5173.1000114.5
938L24.2Very low26.1Very low160 Ų160163.4 Ų163.484%0.83880%0.797SS**SBendtrans-93.919.1-175.8-79.8166.7000115.5
939Q24.7Very low26.1Very low173 Ų173160.1 Ų160.181%0.80879%0.792SS**  trans-143.685.5175.7-67.1-167.717.200115.1
940R28.5Very low25.9Very low254 Ų254161.4 Ų161.496%0.95879%0.785SS**  trans-170.8149.5135.7-100144.3-161.4-140.20.9111.8
941K26.7Very low26Very low134 Ų134165 Ų16558%0.58379%0.792SS**  trans-95.3158.2-176-67.8-172.3176.4-161.70111.4
942P24.8Very low26.1Very low135 Ų135168.7 Ų168.788%0.87780%0.802SS**  trans-61138.9175.725.4-35.1000111.7
943C26.6Very low25.9Very low120 Ų120167.3 Ų167.381%0.81180%0.796SS**  trans-115.8131.3-170.7-85.90000113.3
944K24.3Very low25.8Very low158 Ų158168.8 Ų168.869%0.68781%0.805SS**  trans-58131.6167.4-58.2168.1-177.8173.10110.7T488T488-K944 PolarHBondContact OG1-NZ 3.32Å; T488-K944 VanDerWaalsContact OG1-NZ 3.1Å
945R27Very low25.8Very low241 Ų241165.7 Ų165.791%0.90980%0.801SS**  trans-158.5158.1163.3-107.9169.6174161.2-3107.4
946I27.9Very low25.7Very low159 Ų159164 Ų16482%0.81580%0.797SS**  cis-120.5150.721.7-65.3170.1000112
947K24.4Very low25.4Very low200 Ų200164 Ų16487%0.8780%0.797SS**  trans-118.3145.7156.4-101.2-167.5175.4-172.70109.1
948L22.6Very low25.2Very low167 Ų167164.5 Ų164.587%0.87480%0.8SS**  trans-63.5146.3175.7-63.1146.4000111.6
949M24.2Very low25.4Very low161 Ų161161.7 Ų161.779%0.79379%0.793SS**  179.6129.4108-93.2-166.379.100114.7
950E24.9Very low25.3Very low150 Ų150160.6 Ų160.670%0.70179%0.788SS**  trans7.6130.3148.1-58.3179129.600123.7
951Q24.4Very low25.1Very low159 Ų159154.9 Ų154.974%0.74378%0.777SS**  46.6130.7127.7-56.1-173.213.600122.6
952K26.8Very low25.2Very low213 Ų213154.7 Ų154.793%0.92679%0.786SS**  -153.8152.3122.3-114.6167.9-172.1174.60112.4
953N24.9Very low25.2Very low122 Ų122153 Ų15365%0.65278%0.778SS**  trans-100.5157.5-170.4-59.2-43.5000113.3
954N27.2Very low25.1Very low159 Ų159152.1 Ų152.185%0.8577%0.773SS**  trans-174.4112.8131.6-87.4-26.1000107.3
955C22.8Very low25.2Very low107 Ų107149.8 Ų149.872%0.72377%0.772SS**  70.910959.6-68.90000115
956L25.6Very low25Very low163 Ų163144.1 Ų144.185%0.85376%0.764SS**  trans156.9147.3146.9-85.6167.4000108.8
957K24Very low24.9Very low170 Ų170141.9 Ų141.974%0.73976%0.759SS**  cis-173.8129.8-42-124.1-164.8-175.2-178.50109.2
958L22.5Very low24.9Very low150 Ų150139.4 Ų139.479%0.78575%0.753SS**  trans63.5164.6160.2-53.8167.4000115.7
959S27.7Very low25.1Very low100 Ų100137.1 Ų137.170%0.69975%0.746SS**  cis-136151.56.566.50000109.6
960E23.7Very low25.2Very low150 Ų150135.9 Ų135.970%0.70174%0.742SS**  42.9133.183.4-71.3-170.4-125.800114.7
961N25Very low25.4Very low134 Ų134135.7 Ų135.772%0.71775%0.747SS**  cis-150.1-167.3-2.6-83.6-39.1000108.5
962V27.5Very low25.8Very low130 Ų130134.9 Ų134.979%0.78875%0.747SS**  cis-159.6178.614.581.70000112.9
963S25.2Very low26.3Very low100 Ų100128.8 Ų128.870%0.69973%0.731SS**  trans-44.1165.6168.7-46.10000118.2
964S24.3Very low27.3Very low102 Ų102126.5 Ų126.571%0.71373%0.725SS**  cis-170.3-154.7-14.848.70000108.2
965T25.6Very low27.9Very low109 Ų109123.4 Ų123.467%0.66971%0.708SS**  cis-167.9144.112.2-16.20000111.6
966T23.9Very low29Very low121 Ų121120.4 Ų120.474%0.74269%0.688SS**  trans58.7148.4152.941.10000121.1
967T25Very low30Very low113 Ų113116.2 Ų116.269%0.69367%0.673SS**  cis-158.2155.58.20.40000113.5
968I24.1Very low31.2Very low147 Ų147115.1 Ų115.175%0.75467%0.668SS**  trans83.6108140.9-76.6167000122.2
969V26.8Very low32.4Very low119 Ų119108.7 Ų108.772%0.72163%0.633SS**  trans89.5140.4133169.70000122.8
970D27Very low33.6Very low135 Ų135105.8 Ų105.872%0.72261%0.609SS**  trans52.9109.2167.5-67.4-14.7000122.2
971N29.5Very low35.2Very low147 Ų147102.8 Ų102.879%0.78660%0.601SS**  -171.5146.492.8-104.2-80.7000114.5S973N971-S973 VanDerWaalsContact C-N 3.27Å; N971-S973 PolarHBondContact O-N 2.99Å
972D32Very low36.2Very low141 Ų141100.5 Ų100.575%0.75459%0.589SS**  trans-86.150.9-176.7-162.810.5000113.2
973S38.8Very low37.4Very low85 Ų8594.4 Ų94.459%0.59455%0.552SS**Hα-helixtrans-79.8-20.2-172.560.70000114.3N971 S977N971-S973 VanDerWaalsContact C-N 3.27Å; N971-S973 PolarHBondContact O-N 2.99Å; S973-S977 WeakPolarHBondContact O-CB 3.3Å; S973-S977 PolarHBondContact O-N 3.25Å
974S44.4Very low39.1Very low74 Ų7494.5 Ų94.552%0.51754%0.539SS..Hα-helixtrans-61.4-50.6-171.2179.20000113.5S977 K978S974-S977 PolarHBondContact O-N 3.01Å; S974-K978 PolarHBondContact O-N 3.45Å; S974-K978 VanDerWaalsContact O-N 3.13Å
975L40.7Very low40.7Very low94 Ų9492.8 Ų92.849%0.49253%0.528SS..Hα-helixtrans-70.2-39.9-176.2-150.477.6000111.4S977 K978 Y979L975-S977 VanDerWaalsContact C-N 3.34Å; L975-S977 PolarHBondContact O-N 3.39Å; L975-K978 PolarHBondContact O-N 3.41Å; L975-Y979 PolarHBondContact O-N 2.74Å
976S46.2Very low41.8Very low45 Ų4590 Ų9032%0.31551%0.51SS..Hα-helixtrans-66.4-35.6177-167.60000112.3M980S976-M980 VanDerWaalsContact O-CB 3.23Å; S976-M980 WeakPolarHBondContact O-CB 3.44Å; S976-M980 WeakPolarHBondContact O-CG 3.33Å; S976-M980 PolarHBondContact O-N 3.4Å
977S46.8Very low43.1Very low75 Ų7586 Ų8652%0.52448%0.484SS..Hα-helixtrans-65.4-52.2175.3-176.50000111.1S973 S974 L975 Y979 M980 T981S973-S977 WeakPolarHBondContact O-CB 3.3Å; S973-S977 PolarHBondContact O-N 3.25Å; S974-S977 PolarHBondContact O-N 3.01Å; L975-S977 VanDerWaalsContact C-N 3.34Å; L975-S977 PolarHBondContact O-N 3.39Å; S977-Y979 PolarHBondContact O-N 2.89Å; S977-M980 PolarHBondContact O-N 2.94Å; S977-T981 PolarHBondContact O-N 2.93Å; S977-T981 PolarHBondContact O-OG1 3.11Å
978K48.6Very low44.4Very low147 Ų14788.1 Ų88.164%0.63948%0.483SS*.Hα-helixtrans-57.6-46.7178.4-75.7-176.4175.4-177.90112.8S974 L975 T981 L982S974-K978 PolarHBondContact O-N 3.45Å; S974-K978 VanDerWaalsContact O-N 3.13Å; L975-K978 PolarHBondContact O-N 3.41Å; K978-T981 PolarHBondContact O-N 3.29Å; K978-L982 PolarHBondContact O-N 3.48Å
979Y47.2Very low45.4Very low15 Ų1584.3 Ų84.36%0.05947%0.47CS..Hα-helixtrans-65-45.7177.8-167.2-72.9000111.6L975 S977 T981 L982 L983 L1049 D1052 A1053 C1055 F1056L975-Y979 PolarHBondContact O-N 2.74Å; S977-Y979 PolarHBondContact O-N 2.89Å; Y979-T981 PolarHBondContact O-N 3.13Å; Y979-L982 WeakPolarHBondContact O-CB 3.47Å; Y979-L982 PolarHBondContact O-N 3.5Å; Y979-L983 HydrophobicContact CD1-CB 4.09Å; Y979-L983 HydrophobicContact CE1-CB 3.88Å; Y979-L983 HydrophobicContact CE1-CD1 4.07Å; Y979-L983 HydrophobicContact CE1-CD2 4.35Å; Y979-L983 HydrophobicContact CE1-CG 4.32Å; Y979-L983 WeakPolarHBondContact O-CB 3.43Å; Y979-L983 PolarHBondContact O-N 2.81Å; Y979-L1049 PolarHBondContact OH-O 3.27Å; Y979-D1052 HydrophobicContact CE2-CB 3.85Å; Y979-D1052 VanDerWaalsContact CE2-O 3.24Å; Y979-D1052 WeakPolarHBondContact CE2-O 3.43Å; Y979-D1052 VanDerWaalsContact OH-C 3.3Å; Y979-D1052 WeakPolarHBondContact OH-CB 3.41Å; Y979-A1053 WeakPolarHBondContact OH-CA 3.39Å; Y979-A1053 PolarHBondContact OH-N 3.22Å; Y979-C1055 HydrophobicContact CD2-CB 3.65Å; Y979-C1055 HydrophobicContact CE2-CB 3.94Å; Y979-F1056 HydrophobicContact CD1-CD2 4.12Å; Y979-F1056 HydrophobicContact CD1-CE1 4.41Å; Y979-F1056 AromaticContact CD1-CE2 3.08Å; Y979-F1056 HydrophobicContact CD1-CE2 3.08Å; Y979-F1056 AromaticContact CD1-CZ 3.27Å; Y979-F1056 HydrophobicContact CD1-CZ 3.27Å; Y979-F1056 HydrophobicContact CD2-CE2 4.28Å; Y979-F1056 HydrophobicContact CE1-CD2 4.15Å; Y979-F1056 AromaticContact CE1-CE2 3.33Å; Y979-F1056 HydrophobicContact CE1-CE2 3.33Å; Y979-F1056 HydrophobicContact CE1-CZ 4.02Å; Y979-F1056 HydrophobicContact CE2-CE2 4.45Å; Y979-F1056 HydrophobicContact CG-CD2 4.41Å; Y979-F1056 HydrophobicContact CG-CE1 4.37Å; Y979-F1056 AromaticContact CG-CE2 3.62Å; Y979-F1056 HydrophobicContact CG-CE2 3.62Å; Y979-F1056 AromaticContact CG-CZ 3.6Å; Y979-F1056 HydrophobicContact CG-CZ 3.6Å
980M52.9Low45.8Very low38 Ų3884.3 Ų84.319%0.18747%0.466CS..Hα-helixtrans-62.5-30.1179-73-66.7-64.800111.9S976 S977 L983 K984 L1001 F1004 F1056S976-M980 VanDerWaalsContact O-CB 3.23Å; S976-M980 WeakPolarHBondContact O-CB 3.44Å; S976-M980 WeakPolarHBondContact O-CG 3.33Å; S976-M980 PolarHBondContact O-N 3.4Å; S977-M980 PolarHBondContact O-N 2.94Å; M980-L983 HydrophobicContact SD-CD2 4.49Å; M980-K984 WeakPolarHBondContact O-CB 3.42Å; M980-K984 WeakPolarHBondContact O-CD 3.48Å; M980-K984 WeakPolarHBondContact O-CG 3.32Å; M980-K984 PolarHBondContact O-N 2.89Å; M980-L1001 HydrophobicContact CE-CD1 3.88Å; M980-F1004 HydrophobicContact SD-CE1 4.49Å; M980-F1056 HydrophobicContact CG-CZ 4.33Å; M980-F1056 HydrophobicContact SD-CZ 4.24Å
981T57.3Low46.2Very low88 Ų8885.2 Ų85.254%0.5446%0.459SS..Hα-helixtrans-68.9-42.9170.2-60.40000112S977 K978 Y979 K984 S985S977-T981 PolarHBondContact O-N 2.93Å; S977-T981 PolarHBondContact O-OG1 3.11Å; K978-T981 PolarHBondContact O-N 3.29Å; Y979-T981 PolarHBondContact O-N 3.13Å; T981-K984 CarbonylContact O-C 3.59Å; T981-K984 WeakPolarHBondContact O-CB 3.38Å; T981-K984 PolarHBondContact O-N 3.22Å; T981-S985 PolarHBondContact O-N 3.38Å; T981-S985 PolarHBondContact O-OG 3.33Å
982L47.4Very low46.6Very low86 Ų8684 Ų8445%0.4546%0.458SS..Hα-helixtrans-63.9-45176.5-162.477.8000112.1K978 Y979 K984 S985 V986K978-L982 PolarHBondContact O-N 3.48Å; Y979-L982 WeakPolarHBondContact O-CB 3.47Å; Y979-L982 PolarHBondContact O-N 3.5Å; L982-K984 VanDerWaalsContact C-N 3.33Å; L982-K984 PolarHBondContact O-N 3.48Å; L982-S985 WeakPolarHBondContact CA-OG 3.46Å; L982-S985 PolarHBondContact O-N 3.38Å; L982-S985 VanDerWaalsContact O-N 3.11Å; L982-S985 PolarHBondContact O-OG 3.17Å; L982-V986 WeakPolarHBondContact O-CG2 3.07Å; L982-V986 PolarHBondContact O-N 3.43Å
983L52.8Low47.3Very low2 Ų281.5 Ų81.51%0.0144%0.444CS..Hα-helixtrans-62.7-41.3175-167.773.1000110.8Y979 M980 S985 L987 L1001 F1004 F1041 L1049Y979-L983 HydrophobicContact CD1-CB 4.09Å; Y979-L983 HydrophobicContact CE1-CB 3.88Å; Y979-L983 HydrophobicContact CE1-CD1 4.07Å; Y979-L983 HydrophobicContact CE1-CD2 4.35Å; Y979-L983 HydrophobicContact CE1-CG 4.32Å; Y979-L983 WeakPolarHBondContact O-CB 3.43Å; Y979-L983 PolarHBondContact O-N 2.81Å; M980-L983 HydrophobicContact SD-CD2 4.49Å; L983-S985 VanDerWaalsContact C-N 3.28Å; L983-S985 PolarHBondContact O-N 3.24Å; L983-L987 HydrophobicContact CD1-CD1 4.16Å; L983-L987 HydrophobicContact CD1-CG 4.4Å; L983-L987 HydrophobicContact CD2-CD1 4.26Å; L983-L987 HydrophobicContact CG-CD1 3.77Å; L983-L987 HydrophobicContact CG-CG 4.3Å; L983-L987 VanDerWaalsContact O-CB 3.23Å; L983-L987 WeakPolarHBondContact O-CB 3.46Å; L983-L987 VanDerWaalsContact O-CG 3.24Å; L983-L987 WeakPolarHBondContact O-CG 3.24Å; L983-L987 PolarHBondContact O-N 2.69Å; L983-L1001 HydrophobicContact CD2-CD1 4.01Å; L983-F1004 HydrophobicContact CD2-CD1 4.05Å; L983-F1004 HydrophobicContact CD2-CE1 4.13Å; L983-F1041 HydrophobicContact CD1-CE1 3.92Å; L983-F1041 HydrophobicContact CD1-CZ 4.13Å; L983-L1049 HydrophobicContact CD1-CD1 4.19Å; L983-L1049 HydrophobicContact CD1-CD2 4.01Å
984K60.4Low48.1Very low101 Ų10185.4 Ų85.444%0.43945%0.453SS..Hα-helixtrans-65.6-23.7173.1-79.9173.5172.6-169.60114M980 T981 L982 K988M980-K984 WeakPolarHBondContact O-CB 3.42Å; M980-K984 WeakPolarHBondContact O-CD 3.48Å; M980-K984 WeakPolarHBondContact O-CG 3.32Å; M980-K984 PolarHBondContact O-N 2.89Å; T981-K984 CarbonylContact O-C 3.59Å; T981-K984 WeakPolarHBondContact O-CB 3.38Å; T981-K984 PolarHBondContact O-N 3.22Å; L982-K984 VanDerWaalsContact C-N 3.33Å; L982-K984 PolarHBondContact O-N 3.48Å; K984-K988 VanDerWaalsContact O-CB 3.32Å; K984-K988 WeakPolarHBondContact O-CB 3.42Å; K984-K988 WeakPolarHBondContact O-CD 3.22Å; K984-K988 WeakPolarHBondContact O-CG 3.42Å
985S58Low48.7Very low67 Ų6785.4 Ų85.447%0.46945%0.453SS..Hα-helixtrans-86.3-37.6175.654.80000112.6T981 L982 L983 K988T981-S985 PolarHBondContact O-N 3.38Å; T981-S985 PolarHBondContact O-OG 3.33Å; L982-S985 WeakPolarHBondContact CA-OG 3.46Å; L982-S985 PolarHBondContact O-N 3.38Å; L982-S985 VanDerWaalsContact O-N 3.11Å; L982-S985 PolarHBondContact O-OG 3.17Å; L983-S985 VanDerWaalsContact C-N 3.28Å; L983-S985 PolarHBondContact O-N 3.24Å; S985-K988 WeakPolarHBondContact O-CB 3.4Å; S985-K988 PolarHBondContact O-N 2.9Å
986V47.9Very low49.6Very low49 Ų4984.7 Ų84.730%0.29745%0.452SS..Hα-helixtrans-75.7-34.7176.7-176.30000111.4L982 K988 S989 V1046 L1049L982-V986 WeakPolarHBondContact O-CG2 3.07Å; L982-V986 PolarHBondContact O-N 3.43Å; V986-K988 PolarHBondContact O-N 3.43Å; V986-K988 VanDerWaalsContact O-N 3.12Å; V986-S989 PolarHBondContact O-OG 2.91Å; V986-S989 VanDerWaalsContact O-OG 3.1Å; V986-V1046 HydrophobicContact CG1-CG1 4.22Å; V986-L1049 HydrophobicContact CB-CD1 4.35Å; V986-L1049 HydrophobicContact CB-CD2 4.05Å; V986-L1049 HydrophobicContact CG1-CD1 3.81Å; V986-L1049 HydrophobicContact CG1-CD2 3.98Å; V986-L1049 HydrophobicContact CG1-CG 4.04Å; V986-L1049 HydrophobicContact CG2-CD2 4.26Å
987L52Low50.2Low39 Ų3985.3 Ų85.320%0.20445%0.448CS..THydrogen-bonded Turntrans-77.417170.3-61.1177.6000113.4L983 Y997 L1044 L1049L983-L987 HydrophobicContact CD1-CD1 4.16Å; L983-L987 HydrophobicContact CD1-CG 4.4Å; L983-L987 HydrophobicContact CD2-CD1 4.26Å; L983-L987 HydrophobicContact CG-CD1 3.77Å; L983-L987 HydrophobicContact CG-CG 4.3Å; L983-L987 VanDerWaalsContact O-CB 3.23Å; L983-L987 WeakPolarHBondContact O-CB 3.46Å; L983-L987 VanDerWaalsContact O-CG 3.24Å; L983-L987 WeakPolarHBondContact O-CG 3.24Å; L983-L987 PolarHBondContact O-N 2.69Å; L987-Y997 HydrophobicContact CB-CD2 3.87Å; L987-Y997 HydrophobicContact CB-CE2 3.56Å; L987-Y997 HydrophobicContact CD1-CD2 4.23Å; L987-Y997 HydrophobicContact CD1-CE2 3.88Å; L987-Y997 HydrophobicContact CG-CE2 4.38Å; L987-L1044 HydrophobicContact CD2-CD1 3.57Å; L987-L1049 HydrophobicContact CD2-CD1 4.18Å
988K50.9Low51.1Low156 Ų15683.8 Ų83.868%0.67844%0.44SS*.THydrogen-bonded Turntrans-118.7-2.3178.2-99.5-169.2171.5-150.30114.4K984 S985 V986 D990K984-K988 VanDerWaalsContact O-CB 3.32Å; K984-K988 WeakPolarHBondContact O-CB 3.42Å; K984-K988 WeakPolarHBondContact O-CD 3.22Å; K984-K988 WeakPolarHBondContact O-CG 3.42Å; S985-K988 WeakPolarHBondContact O-CB 3.4Å; S985-K988 PolarHBondContact O-N 2.9Å; V986-K988 PolarHBondContact O-N 3.43Å; V986-K988 VanDerWaalsContact O-N 3.12Å; K988-D990 PolarHBondContact O-N 2.71Å; K988-D990 VanDerWaalsContact O-N 3.11Å
989S45.7Very low52.2Low68 Ų6879.8 Ų79.848%0.47643%0.43SS..SBendtrans-76.892.8169.745.80000110.2V986V986-S989 PolarHBondContact O-OG 2.91Å; V986-S989 VanDerWaalsContact O-OG 3.1Å
990D34.9Very low53.4Low118 Ų11883.3 Ų83.363%0.63144%0.444SS*.SBendtrans30.491.8156.7-68.5-8.9000119K988K988-D990 PolarHBondContact O-N 2.71Å; K988-D990 VanDerWaalsContact O-N 3.11Å
991R35.7Very low54.3Low154 Ų15482.2 Ų82.258%0.58144%0.438SS*.  -178.914098.2-96.7164.5179.3-133.6-12.3114.9I345 D993I345-R991 VanDerWaalsContact CD1-NH2 3.29Å; R991-D993 PolarHBondContact O-N 2.63Å
992T37.5Very low55.2Low123 Ų12382 Ų8276%0.75543%0.434SS*.SBendtrans39.669.3147.462.40000118.3
993D48.1Very low56.7Low88 Ų8880.5 Ų80.547%0.47143%0.427SS..  174.5118.7116.3-157.6-41.3000110.4R991 S995 V996 Y997R991-D993 PolarHBondContact O-N 2.63Å; D993-S995 PolarHBondContact O-N 2.83Å; D993-S995 VanDerWaalsContact OD1-CB 3.24Å; D993-S995 WeakPolarHBondContact OD1-CB 3.35Å; D993-S995 PolarHBondContact OD1-N 2.74Å; D993-S995 PolarHBondContact OD1-OG 3.04Å; D993-S995 PolarHBondContact OD2-OG 3.21Å; D993-V996 HydrophobicContact CB-CB 4.08Å; D993-V996 HydrophobicContact CB-CG2 3.83Å; D993-V996 PolarHBondContact O-N 3.03Å; D993-Y997 PolarHBondContact O-N 3.34Å; D993-Y997 VanDerWaalsContact O-N 3.17Å
994E54.2Low58.2Low167 Ų16780.7 Ų80.778%0.7843%0.427SS*.Hα-helixtrans-64.2-28.4175.1-80-151.6129.500112.3A998E994-A998 WeakPolarHBondContact O-CB 3.22Å; E994-A998 PolarHBondContact O-N 3.29Å
995S57Low59Low74 Ų7479.8 Ų79.852%0.51742%0.423SS..Hα-helixtrans-68.7-42.8179.4730000111.8D993 A998 S999D993-S995 PolarHBondContact O-N 2.83Å; D993-S995 VanDerWaalsContact OD1-CB 3.24Å; D993-S995 WeakPolarHBondContact OD1-CB 3.35Å; D993-S995 PolarHBondContact OD1-N 2.74Å; D993-S995 PolarHBondContact OD1-OG 3.04Å; D993-S995 PolarHBondContact OD2-OG 3.21Å; S995-A998 PolarHBondContact O-N 3.06Å; S995-S999 WeakPolarHBondContact O-CB 3.12Å; S995-S999 PolarHBondContact O-N 3.03Å
996V60.2Low60.1Low79 Ų7981.9 Ų81.948%0.47943%0.426SS..Hα-helixtrans-66.5-45.4176.4177.90000110.1D993 A998 S999 R1000D993-V996 HydrophobicContact CB-CB 4.08Å; D993-V996 HydrophobicContact CB-CG2 3.83Å; D993-V996 PolarHBondContact O-N 3.03Å; V996-A998 PolarHBondContact O-N 3.25Å; V996-S999 WeakPolarHBondContact O-CB 3.1Å; V996-S999 PolarHBondContact O-N 3.26Å; V996-R1000 HydrophobicContact CG1-CG 4.34Å; V996-R1000 WeakPolarHBondContact O-CG 3.45Å; V996-R1000 PolarHBondContact O-N 2.94Å
997Y58.7Low61.8Low58 Ų5880.2 Ų80.223%0.22742%0.416CS..Hα-helixtrans-58.9-46.3174.9164.8-114.5000112.3L987 D993 S999 R1000 L1001L987-Y997 HydrophobicContact CB-CD2 3.87Å; L987-Y997 HydrophobicContact CB-CE2 3.56Å; L987-Y997 HydrophobicContact CD1-CD2 4.23Å; L987-Y997 HydrophobicContact CD1-CE2 3.88Å; L987-Y997 HydrophobicContact CG-CE2 4.38Å; D993-Y997 PolarHBondContact O-N 3.34Å; D993-Y997 VanDerWaalsContact O-N 3.17Å; Y997-S999 VanDerWaalsContact C-N 3.32Å; Y997-S999 PolarHBondContact O-N 3.23Å; Y997-R1000 PolarHBondContact O-N 3.18Å; Y997-L1001 HydrophobicContact CE2-CB 4.46Å; Y997-L1001 HydrophobicContact CE2-CD2 4.31Å; Y997-L1001 VanDerWaalsContact O-CB 3.28Å; Y997-L1001 WeakPolarHBondContact O-CB 3.19Å; Y997-L1001 PolarHBondContact O-N 3.37Å
998A65.3Low63.4Low43 Ų4378.8 Ų78.836%0.35541%0.408SS..Hα-helixtrans-62.4-38.9176.800000112.1E994 S995 V996 N1002E994-A998 WeakPolarHBondContact O-CB 3.22Å; E994-A998 PolarHBondContact O-N 3.29Å; S995-A998 PolarHBondContact O-N 3.06Å; V996-A998 PolarHBondContact O-N 3.25Å; A998-N1002 WeakPolarHBondContact O-CB 3.46Å; A998-N1002 PolarHBondContact O-N 2.96Å; A998-N1002 PolarHBondContact O-ND2 3.26Å
999S72.5Confident64.7Low62 Ų6276.4 Ų76.443%0.43440%0.399SS..Hα-helixtrans-61.4-56.8173-164.50000111.3S995 V996 Y997 L1001 N1002 D1003S995-S999 WeakPolarHBondContact O-CB 3.12Å; S995-S999 PolarHBondContact O-N 3.03Å; V996-S999 WeakPolarHBondContact O-CB 3.1Å; V996-S999 PolarHBondContact O-N 3.26Å; Y997-S999 VanDerWaalsContact C-N 3.32Å; Y997-S999 PolarHBondContact O-N 3.23Å; S999-L1001 VanDerWaalsContact C-N 3.27Å; S999-L1001 PolarHBondContact O-N 3.45Å; S999-N1002 CarbonylContact O-C 3.56Å; S999-N1002 WeakPolarHBondContact O-CA 3.4Å; S999-N1002 WeakPolarHBondContact O-CB 3.24Å; S999-N1002 PolarHBondContact O-N 2.82Å; S999-D1003 PolarHBondContact O-N 3.24Å
1000R71.7Confident66.5Low90 Ų9076.6 Ų76.634%0.3439%0.393SS..Hα-helixtrans-59.9-35.9-178.5-64.1-53.4-167149.79.4113V996 Y997 N1002 D1003 F1004 R1039 I1040V996-R1000 HydrophobicContact CG1-CG 4.34Å; V996-R1000 WeakPolarHBondContact O-CG 3.45Å; V996-R1000 PolarHBondContact O-N 2.94Å; Y997-R1000 PolarHBondContact O-N 3.18Å; R1000-N1002 VanDerWaalsContact C-N 3.33Å; R1000-D1003 WeakPolarHBondContact CA-OD2 3.47Å; R1000-D1003 WeakPolarHBondContact CD-OD2 3.47Å; R1000-F1004 WeakPolarHBondContact O-CB 3.49Å; R1000-F1004 PolarHBondContact O-N 2.95Å; R1000-R1039 PolarHBondContact NH1-O 3.07Å; R1000-I1040 HydrophobicContact CB-CG2 4.49Å
1001L72.7Confident69Low14 Ų1471.4 Ų71.47%0.07336%0.364CS..Hα-helixtrans-70.8-28.3175.2-170.964.6000112.4M980 L983 Y997 S999 K1005M980-L1001 HydrophobicContact CE-CD1 3.88Å; L983-L1001 HydrophobicContact CD2-CD1 4.01Å; Y997-L1001 HydrophobicContact CE2-CB 4.46Å; Y997-L1001 HydrophobicContact CE2-CD2 4.31Å; Y997-L1001 VanDerWaalsContact O-CB 3.28Å; Y997-L1001 WeakPolarHBondContact O-CB 3.19Å; Y997-L1001 PolarHBondContact O-N 3.37Å; S999-L1001 VanDerWaalsContact C-N 3.27Å; S999-L1001 PolarHBondContact O-N 3.45Å; L1001-K1005 WeakPolarHBondContact O-CD 3.48Å; L1001-K1005 WeakPolarHBondContact O-CE 3.24Å; L1001-K1005 VanDerWaalsContact O-CG 3.23Å; L1001-K1005 WeakPolarHBondContact O-CG 3.42Å; L1001-K1005 PolarHBondContact O-N 2.82Å
1002N74.8Confident71Confident84 Ų8470 Ų7045%0.44936%0.359SS..Hα-helixtrans-79.9-41173.1-72.6-20.7000112A998 S999 R1000 F1004 K1005 Q1006A998-N1002 WeakPolarHBondContact O-CB 3.46Å; A998-N1002 PolarHBondContact O-N 2.96Å; A998-N1002 PolarHBondContact O-ND2 3.26Å; S999-N1002 CarbonylContact O-C 3.56Å; S999-N1002 WeakPolarHBondContact O-CA 3.4Å; S999-N1002 WeakPolarHBondContact O-CB 3.24Å; S999-N1002 PolarHBondContact O-N 2.82Å; R1000-N1002 VanDerWaalsContact C-N 3.33Å; N1002-F1004 VanDerWaalsContact C-N 3.28Å; N1002-F1004 PolarHBondContact O-N 2.88Å; N1002-K1005 PolarHBondContact O-N 3.11Å; N1002-K1005 VanDerWaalsContact O-N 3.15Å; N1002-K1005 PolarHBondContact OD1-NZ 3.43Å; N1002-Q1006 WeakPolarHBondContact O-CB 3.44Å; N1002-Q1006 PolarHBondContact O-N 3.11Å
1003D80.1Confident73.1Confident55 Ų5569.6 Ų69.629%0.29435%0.347SS..Hα-helixtrans-52.2-50170.2-59.2-27.7000109.8S999 R1000 K1005 Q1006 V1007 I1040S999-D1003 PolarHBondContact O-N 3.24Å; R1000-D1003 WeakPolarHBondContact CA-OD2 3.47Å; R1000-D1003 WeakPolarHBondContact CD-OD2 3.47Å; D1003-K1005 PolarHBondContact O-N 3.22Å; D1003-Q1006 PolarHBondContact O-N 3.07Å; D1003-V1007 WeakPolarHBondContact O-CB 3.45Å; D1003-V1007 VanDerWaalsContact O-CG2 3.29Å; D1003-V1007 WeakPolarHBondContact O-CG2 3.33Å; D1003-V1007 PolarHBondContact O-N 2.86Å; D1003-I1040 HydrophobicContact CB-CD1 3.92Å
1004F83.1Confident74.5Confident6 Ų667.7 Ų67.73%0.02634%0.341CS..Hα-helixtrans-59-46.2177.5-179-97.8000112.7M980 L983 R1000 N1002 Q1006 M1008 L1037 I1040 F1041 F1056M980-F1004 HydrophobicContact SD-CE1 4.49Å; L983-F1004 HydrophobicContact CD2-CD1 4.05Å; L983-F1004 HydrophobicContact CD2-CE1 4.13Å; R1000-F1004 WeakPolarHBondContact O-CB 3.49Å; R1000-F1004 PolarHBondContact O-N 2.95Å; N1002-F1004 VanDerWaalsContact C-N 3.28Å; N1002-F1004 PolarHBondContact O-N 2.88Å; F1004-Q1006 PolarHBondContact O-N 2.76Å; F1004-M1008 HydrophobicContact CD1-CG 4.42Å; F1004-M1008 HydrophobicContact CD2-CG 4.45Å; F1004-M1008 HydrophobicContact CE1-CG 3.91Å; F1004-M1008 HydrophobicContact CE2-CG 3.94Å; F1004-M1008 HydrophobicContact CE2-SD 4.39Å; F1004-M1008 HydrophobicContact CZ-CG 3.63Å; F1004-M1008 HydrophobicContact CZ-SD 4.3Å; F1004-M1008 WeakPolarHBondContact O-CB 3.22Å; F1004-M1008 WeakPolarHBondContact O-CG 3.48Å; F1004-M1008 PolarHBondContact O-N 3.27Å; F1004-L1037 HydrophobicContact CD2-CD2 3.51Å; F1004-L1037 HydrophobicContact CE2-CD2 3.53Å; F1004-I1040 HydrophobicContact CB-CD1 4.39Å; F1004-F1041 AromaticContact CD2-CE2 3.92Å; F1004-F1041 HydrophobicContact CD2-CE2 3.92Å; F1004-F1041 AromaticContact CD2-CZ 3.53Å; F1004-F1041 HydrophobicContact CD2-CZ 3.53Å; F1004-F1041 AromaticContact CE2-CE2 3.81Å; F1004-F1041 HydrophobicContact CE2-CE2 3.81Å; F1004-F1041 AromaticContact CE2-CZ 3.65Å; F1004-F1041 HydrophobicContact CE2-CZ 3.65Å; F1004-F1041 HydrophobicContact CG-CZ 4.42Å; F1004-F1056 HydrophobicContact CE1-CD2 4.15Å; F1004-F1056 AromaticContact CE1-CE2 3.62Å; F1004-F1056 HydrophobicContact CE1-CE2 3.62Å; F1004-F1056 HydrophobicContact CE1-CZ 4.25Å; F1004-F1056 AromaticContact CZ-CD2 3.59Å; F1004-F1056 HydrophobicContact CZ-CD2 3.59Å; F1004-F1056 AromaticContact CZ-CE2 3.44Å; F1004-F1056 HydrophobicContact CZ-CE2 3.44Å; F1004-F1056 VanDerWaalsContact CZ-CE2 3.44Å; F1004-F1056 HydrophobicContact CZ-CZ 4.46Å
1005K77.4Confident75.4Confident81 Ų8160.5 Ų60.535%0.35231%0.307SS..Hα-helixtrans-60.9-43.7175.4-71.6164.8-158.3155.70111.5L1001 N1002 D1003 Q1009L1001-K1005 WeakPolarHBondContact O-CD 3.48Å; L1001-K1005 WeakPolarHBondContact O-CE 3.24Å; L1001-K1005 VanDerWaalsContact O-CG 3.23Å; L1001-K1005 WeakPolarHBondContact O-CG 3.42Å; L1001-K1005 PolarHBondContact O-N 2.82Å; N1002-K1005 PolarHBondContact O-N 3.11Å; N1002-K1005 VanDerWaalsContact O-N 3.15Å; N1002-K1005 PolarHBondContact OD1-NZ 3.43Å; D1003-K1005 PolarHBondContact O-N 3.22Å; K1005-Q1009 WeakPolarHBondContact O-CB 3.45Å; K1005-Q1009 VanDerWaalsContact O-CG 3.32Å; K1005-Q1009 WeakPolarHBondContact O-CG 3.41Å; K1005-Q1009 PolarHBondContact O-N 3.06Å
1006Q81.8Confident76.1Confident111 Ų11160.8 Ų60.852%0.51931%0.309SS..Hα-helixtrans-64.7-52-178.7176.8171.2-17.400110.5N1002 D1003 F1004 M1008 Q1009 E1010N1002-Q1006 WeakPolarHBondContact O-CB 3.44Å; N1002-Q1006 PolarHBondContact O-N 3.11Å; D1003-Q1006 PolarHBondContact O-N 3.07Å; F1004-Q1006 PolarHBondContact O-N 2.76Å; Q1006-M1008 VanDerWaalsContact C-N 3.31Å; Q1006-M1008 PolarHBondContact O-N 3.13Å; Q1006-Q1009 CarbonylContact O-C 3.57Å; Q1006-Q1009 WeakPolarHBondContact O-CA 3.48Å; Q1006-Q1009 WeakPolarHBondContact O-CB 3.39Å; Q1006-Q1009 PolarHBondContact O-N 2.97Å; Q1006-E1010 HydrophobicContact CG-CG 4.33Å; Q1006-E1010 VanDerWaalsContact CG-OE1 3.26Å; Q1006-E1010 WeakPolarHBondContact CG-OE1 3.38Å; Q1006-E1010 PolarHBondContact NE2-OE1 3Å; Q1006-E1010 WeakPolarHBondContact O-CG 3.42Å; Q1006-E1010 PolarHBondContact O-N 3.23Å
1007V83.9Confident76.5Confident14 Ų1465.5 Ų65.59%0.08532%0.323CS..Hα-helixtrans-53.8-46.2176.1165.10000111.3D1003 Q1009 E1010 Y1011 L1033 Q1036 L1037D1003-V1007 WeakPolarHBondContact O-CB 3.45Å; D1003-V1007 VanDerWaalsContact O-CG2 3.29Å; D1003-V1007 WeakPolarHBondContact O-CG2 3.33Å; D1003-V1007 PolarHBondContact O-N 2.86Å; V1007-Q1009 PolarHBondContact O-N 3.49Å; V1007-E1010 PolarHBondContact O-N 2.93Å; V1007-Y1011 WeakPolarHBondContact O-CB 3.49Å; V1007-Y1011 PolarHBondContact O-N 3.02Å; V1007-L1033 HydrophobicContact CG1-CD1 3.23Å; V1007-Q1036 HydrophobicContact CG1-CB 3.76Å; V1007-Q1036 HydrophobicContact CG2-CB 3.97Å; V1007-Q1036 HydrophobicContact CG2-CG 4.41Å; V1007-L1037 HydrophobicContact CG1-CD2 3.77Å; V1007-L1037 HydrophobicContact CG1-CG 4.18Å
1008M84.4Confident76.7Confident10 Ų1065.8 Ų65.85%0.04933%0.329CS..Hα-helixtrans-69.4-29.2176.9-70.8-54.1-39.200114F1004 Q1006 Y1011 R1012 L1033 L1037 F1056F1004-M1008 HydrophobicContact CD1-CG 4.42Å; F1004-M1008 HydrophobicContact CD2-CG 4.45Å; F1004-M1008 HydrophobicContact CE1-CG 3.91Å; F1004-M1008 HydrophobicContact CE2-CG 3.94Å; F1004-M1008 HydrophobicContact CE2-SD 4.39Å; F1004-M1008 HydrophobicContact CZ-CG 3.63Å; F1004-M1008 HydrophobicContact CZ-SD 4.3Å; F1004-M1008 WeakPolarHBondContact O-CB 3.22Å; F1004-M1008 WeakPolarHBondContact O-CG 3.48Å; F1004-M1008 PolarHBondContact O-N 3.27Å; Q1006-M1008 VanDerWaalsContact C-N 3.31Å; Q1006-M1008 PolarHBondContact O-N 3.13Å; M1008-Y1011 HydrophobicContact CE-CD1 3.82Å; M1008-Y1011 HydrophobicContact CE-CE1 4.34Å; M1008-R1012 VanDerWaalsContact O-CG 3.3Å; M1008-R1012 WeakPolarHBondContact O-CG 3.41Å; M1008-R1012 PolarHBondContact O-N 2.73Å; M1008-L1033 HydrophobicContact CE-CD2 4.37Å; M1008-L1033 HydrophobicContact SD-CD1 4.12Å; M1008-L1033 HydrophobicContact SD-CD2 4.22Å; M1008-L1037 HydrophobicContact SD-CD1 4.2Å; M1008-F1056 HydrophobicContact CE-CB 3.59Å; M1008-F1056 HydrophobicContact SD-CB 4.21Å
1009Q79.8Confident76.3Confident105 Ų10573.3 Ų73.349%0.49135%0.348SS..Hα-helixtrans-72.9-42.9171.9-78.1-17532.100112.2K1005 Q1006 V1007 R1012 K1013K1005-Q1009 WeakPolarHBondContact O-CB 3.45Å; K1005-Q1009 VanDerWaalsContact O-CG 3.32Å; K1005-Q1009 WeakPolarHBondContact O-CG 3.41Å; K1005-Q1009 PolarHBondContact O-N 3.06Å; Q1006-Q1009 CarbonylContact O-C 3.57Å; Q1006-Q1009 WeakPolarHBondContact O-CA 3.48Å; Q1006-Q1009 WeakPolarHBondContact O-CB 3.39Å; Q1006-Q1009 PolarHBondContact O-N 2.97Å; V1007-Q1009 PolarHBondContact O-N 3.49Å; Q1009-R1012 PolarHBondContact O-N 3.44Å; Q1009-K1013 WeakPolarHBondContact O-CB 3.14Å; Q1009-K1013 VanDerWaalsContact O-CG 3.27Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.48Å; Q1009-K1013 PolarHBondContact O-N 3.41Å
1010E83.1Confident75.4Confident73 Ų7378.2 Ų78.234%0.34137%0.369SS..Hα-helixtrans-62.1-45.1178.2-75.5177.1-169.800110.9Q1006 V1007 R1012 K1013 S1014Q1006-E1010 HydrophobicContact CG-CG 4.33Å; Q1006-E1010 VanDerWaalsContact CG-OE1 3.26Å; Q1006-E1010 WeakPolarHBondContact CG-OE1 3.38Å; Q1006-E1010 PolarHBondContact NE2-OE1 3Å; Q1006-E1010 WeakPolarHBondContact O-CG 3.42Å; Q1006-E1010 PolarHBondContact O-N 3.23Å; V1007-E1010 PolarHBondContact O-N 2.93Å; E1010-R1012 PolarHBondContact O-N 2.9Å; E1010-K1013 PolarHBondContact O-N 2.81Å; E1010-S1014 WeakPolarHBondContact O-CB 3.35Å; E1010-S1014 PolarHBondContact O-N 3.16Å; E1010-S1014 PolarHBondContact O-OG 3.49Å; E1010-S1014 VanDerWaalsContact O-OG 3.06Å
1011Y86Confident74.2Confident9 Ų977 Ų774%0.03538%0.375CS..Hα-helixtrans-54.6-50.1171.7173.1-109.6000112.7V1007 M1008 K1013 S1014 I1015 I1030 L1033 H1061V1007-Y1011 WeakPolarHBondContact O-CB 3.49Å; V1007-Y1011 PolarHBondContact O-N 3.02Å; M1008-Y1011 HydrophobicContact CE-CD1 3.82Å; M1008-Y1011 HydrophobicContact CE-CE1 4.34Å; Y1011-K1013 PolarHBondContact O-N 3.06Å; Y1011-S1014 PolarHBondContact O-N 2.83Å; Y1011-I1015 HydrophobicContact CD1-CD1 4.08Å; Y1011-I1015 HydrophobicContact CD2-CD1 3.85Å; Y1011-I1015 HydrophobicContact CE1-CD1 3.67Å; Y1011-I1015 HydrophobicContact CE2-CD1 3.42Å; Y1011-I1015 VanDerWaalsContact CE2-CD1 3.42Å; Y1011-I1015 HydrophobicContact CE2-CG1 4.44Å; Y1011-I1015 HydrophobicContact CG-CD1 4.17Å; Y1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; Y1011-I1015 PolarHBondContact O-N 3.26Å; Y1011-I1030 HydrophobicContact CE2-CD1 4.03Å; Y1011-L1033 HydrophobicContact CD1-CD2 3.78Å; Y1011-L1033 HydrophobicContact CD2-CB 3.92Å; Y1011-L1033 HydrophobicContact CD2-CD2 3.43Å; Y1011-L1033 VanDerWaalsContact CD2-CD2 3.43Å; Y1011-L1033 HydrophobicContact CD2-CG 4.18Å; Y1011-L1033 HydrophobicContact CE1-CD2 3.94Å; Y1011-L1033 HydrophobicContact CE2-CB 4.31Å; Y1011-L1033 HydrophobicContact CE2-CD2 3.58Å; Y1011-L1033 HydrophobicContact CG-CD2 3.52Å; Y1011-L1033 HydrophobicContact CG-CG 4.41Å; Y1011-H1061 AromaticContact CE2-ND1 3.9Å; Y1011-H1061 AromaticContact CZ-ND1 3.74Å; Y1011-H1061 WeakPolarHBondContact OH-CB 3.29Å; Y1011-H1061 PolarHBondContact OH-ND1 3.44Å
1012R79.8Confident72.7Confident124 Ų12483.6 Ų83.647%0.46841%0.409SS..Hα-helixtrans-63.3-39.4178.6-73.6173.4179.3177.70.3112.4M1008 Q1009 E1010 S1016M1008-R1012 VanDerWaalsContact O-CG 3.3Å; M1008-R1012 WeakPolarHBondContact O-CG 3.41Å; M1008-R1012 PolarHBondContact O-N 2.73Å; Q1009-R1012 PolarHBondContact O-N 3.44Å; E1010-R1012 PolarHBondContact O-N 2.9Å; R1012-S1016 PolarHBondContact O-N 3.33Å; R1012-S1016 PolarHBondContact O-OG 2.97Å
1013K79.6Confident71.8Confident114 Ų11486.5 Ų86.550%0.49643%0.425SS..Hα-helixtrans-67.5-39175.7-74.5164.1177.8165.30112.5Q1009 E1010 Y1011 S1016 K1017Q1009-K1013 WeakPolarHBondContact O-CB 3.14Å; Q1009-K1013 VanDerWaalsContact O-CG 3.27Å; Q1009-K1013 WeakPolarHBondContact O-CG 3.48Å; Q1009-K1013 PolarHBondContact O-N 3.41Å; E1010-K1013 PolarHBondContact O-N 2.81Å; Y1011-K1013 PolarHBondContact O-N 3.06Å; K1013-S1016 PolarHBondContact O-OG 3.12Å; K1013-S1016 VanDerWaalsContact O-OG 3.07Å; K1013-K1017 WeakPolarHBondContact O-CG 3.34Å; K1013-K1017 PolarHBondContact O-N 3.36Å
1014S77.6Confident70.6Confident49 Ų4988.1 Ų88.134%0.34344%0.441SS..Hα-helixtrans-69.5-37.4178.7-670000111.9E1010 Y1011 N1018E1010-S1014 WeakPolarHBondContact O-CB 3.35Å; E1010-S1014 PolarHBondContact O-N 3.16Å; E1010-S1014 PolarHBondContact O-OG 3.49Å; E1010-S1014 VanDerWaalsContact O-OG 3.06Å; Y1011-S1014 PolarHBondContact O-N 2.83Å; S1014-N1018 WeakPolarHBondContact O-CB 3.45Å; S1014-N1018 PolarHBondContact O-N 3.39Å
1015I74.8Confident69.5Low15 Ų1592 Ų928%0.07746%0.459CS..Hα-helixtrans-71.3-41.5174.9-65.3167000111.7Y1011 K1017 N1018 R1019 L1029 L1058Y1011-I1015 HydrophobicContact CD1-CD1 4.08Å; Y1011-I1015 HydrophobicContact CD2-CD1 3.85Å; Y1011-I1015 HydrophobicContact CE1-CD1 3.67Å; Y1011-I1015 HydrophobicContact CE2-CD1 3.42Å; Y1011-I1015 VanDerWaalsContact CE2-CD1 3.42Å; Y1011-I1015 HydrophobicContact CE2-CG1 4.44Å; Y1011-I1015 HydrophobicContact CG-CD1 4.17Å; Y1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; Y1011-I1015 PolarHBondContact O-N 3.26Å; I1015-K1017 PolarHBondContact O-N 3Å; I1015-N1018 PolarHBondContact O-N 3.4Å; I1015-N1018 VanDerWaalsContact O-N 3.07Å; I1015-R1019 PolarHBondContact O-N 2.81Å; I1015-L1029 HydrophobicContact CG1-CD1 4.26Å; I1015-L1058 HydrophobicContact CB-CD1 4.5Å; I1015-L1058 HydrophobicContact CD1-CD1 3.88Å; I1015-L1058 HydrophobicContact CD1-CG 4.37Å; I1015-L1058 HydrophobicContact CG2-CD1 3.75Å
1016S70.7Confident68.9Low81 Ų8189.6 Ų89.657%0.56645%0.452SS*.Hα-helixtrans-63.3-28.8179.366.70000113R1012 K1013R1012-S1016 PolarHBondContact O-N 3.33Å; R1012-S1016 PolarHBondContact O-OG 2.97Å; K1013-S1016 PolarHBondContact O-OG 3.12Å; K1013-S1016 VanDerWaalsContact O-OG 3.07Å
1017K68.9Low68.3Low177 Ų17787.9 Ų87.977%0.7745%0.446SS*.Hα-helixtrans-74-33.7171-72.5179.7175.4-173.70114.1K1013 I1015K1013-K1017 WeakPolarHBondContact O-CG 3.34Å; K1013-K1017 PolarHBondContact O-N 3.36Å; I1015-K1017 PolarHBondContact O-N 3Å
1018N63.6Low68Low64 Ų6492.4 Ų92.434%0.34247%0.467SS..SBendtrans-99.713.7-171-76-8.3000115.1S1014 I1015 N1020 S1021S1014-N1018 WeakPolarHBondContact O-CB 3.45Å; S1014-N1018 PolarHBondContact O-N 3.39Å; I1015-N1018 PolarHBondContact O-N 3.4Å; I1015-N1018 VanDerWaalsContact O-N 3.07Å; N1018-N1020 PolarHBondContact O-N 2.99Å; N1018-S1021 PolarHBondContact O-N 3.46Å
1019R57Low67.8Low201 Ų20193.8 Ų93.876%0.75847%0.474SS*.THydrogen-bonded Turntrans-57.9-10.7-176.6-98.5-175.7170.4-179-3.2116.9I1015I1015-R1019 PolarHBondContact O-N 2.81Å
1020N52.1Low68.1Low165 Ų16588.8 Ų88.888%0.88245%0.451SS*.THydrogen-bonded Turntrans-116.514.4-173-66.92.2000114.6N1018N1018-N1020 PolarHBondContact O-N 2.99Å
1021S46.9Very low68.2Low66 Ų6688.4 Ų88.446%0.46245%0.449SS..SBendtrans-121155.9176.367.60000113.6N1018N1018-S1021 PolarHBondContact O-N 3.46Å
1022L41.4Very low68.2Low151 Ų15192.1 Ų92.179%0.79147%0.472SS*.  trans-71.1158.2-165.5-79.971.2000113.9S1024L1022-S1024 PolarHBondContact O-N 3.03Å
1023N55.8Low68.6Low145 Ų14586.3 Ų86.378%0.77545%0.451SS*.THydrogen-bonded Turntrans-49.97.6-170.5-65.5-18.8000119.9S1026N1023-S1026 PolarHBondContact O-OG 3.01Å; N1023-S1026 VanDerWaalsContact O-OG 3.06Å
1024S55.4Low69.1Low90 Ų9081.8 Ų81.863%0.62943%0.431SS*.THydrogen-bonded Turntrans-85.8-39.5175.255.50000112.9L1022 S1026L1022-S1024 PolarHBondContact O-N 3.03Å; S1024-S1026 PolarHBondContact O-N 2.85Å
1025H59.4Low69.6Low88 Ų8882.6 Ų82.641%0.40743%0.434SS..Hα-helixtrans-74.2-23.2-176.1-109.311.5000114N1027 Q1028 L1029H1025-N1027 VanDerWaalsContact C-N 3.34Å; H1025-N1027 PolarHBondContact O-N 2.98Å; H1025-Q1028 PolarHBondContact CE1-OE1 2.95Å; H1025-Q1028 PolarHBondContact ND1-OE1 3.47Å; H1025-Q1028 PolarHBondContact O-N 3.23Å; H1025-L1029 WeakPolarHBondContact O-CG 3.46Å; H1025-L1029 PolarHBondContact O-N 3.31Å; H1025-L1029 VanDerWaalsContact O-N 3.08Å
1026S64.5Low70.2Confident30 Ų3084.8 Ų84.821%0.2144%0.444CS..Hα-helixtrans-58.5-43.2175.341.20000112.5N1023 S1024 L1029 I1030 H1061N1023-S1026 PolarHBondContact O-OG 3.01Å; N1023-S1026 VanDerWaalsContact O-OG 3.06Å; S1024-S1026 PolarHBondContact O-N 2.85Å; S1026-L1029 PolarHBondContact O-N 3.45Å; S1026-I1030 PolarHBondContact O-N 2.92Å; S1026-H1061 WeakPolarHBondContact CB-NE2 3.45Å
1027N70.6Confident71Confident74 Ų7480.9 Ų80.940%0.39642%0.417SS..Hα-helixtrans-66-39.4178.5-74.7-24.8000112.4H1025 I1030 E1031H1025-N1027 VanDerWaalsContact C-N 3.34Å; H1025-N1027 PolarHBondContact O-N 2.98Å; N1027-I1030 VanDerWaalsContact O-CG2 3.26Å; N1027-I1030 WeakPolarHBondContact O-CG2 3.24Å; N1027-I1030 PolarHBondContact O-N 2.97Å; N1027-E1031 WeakPolarHBondContact O-CB 3.23Å; N1027-E1031 VanDerWaalsContact O-CG 3.32Å; N1027-E1031 WeakPolarHBondContact O-CG 3.35Å; N1027-E1031 PolarHBondContact O-N 3.1Å
1028Q77.4Confident71.7Confident110 Ų11073.1 Ų73.151%0.51438%0.384SS..Hα-helixtrans-65.8-40.5175.6-68.8179.9-5500111.9H1025 I1030 E1031 V1032H1025-Q1028 PolarHBondContact CE1-OE1 2.95Å; H1025-Q1028 PolarHBondContact ND1-OE1 3.47Å; H1025-Q1028 PolarHBondContact O-N 3.23Å; Q1028-I1030 PolarHBondContact O-N 2.91Å; Q1028-E1031 PolarHBondContact O-N 2.97Å; Q1028-V1032 WeakPolarHBondContact O-CG2 3.49Å; Q1028-V1032 PolarHBondContact O-N 3.15Å
1029L79.3Confident72.5Confident39 Ų3978.5 Ų78.520%0.20440%0.4CS..Hα-helixtrans-62.8-39178.1-74.6170.8000112.9I1015 H1025 S1026 L1033I1015-L1029 HydrophobicContact CG1-CD1 4.26Å; H1025-L1029 WeakPolarHBondContact O-CG 3.46Å; H1025-L1029 PolarHBondContact O-N 3.31Å; H1025-L1029 VanDerWaalsContact O-N 3.08Å; S1026-L1029 PolarHBondContact O-N 3.45Å; L1029-L1033 PolarHBondContact O-N 3.37Å; L1029-L1033 VanDerWaalsContact O-N 3.13Å
1030I86.5Confident73.7Confident0 Ų069.5 Ų69.50%037%0.367CS..Hα-helixtrans-78-29.3177.8-168.360.6000112.9Y1011 S1026 N1027 Q1028 L1033 F1034 I1057 H1061 R1064 Y1065Y1011-I1030 HydrophobicContact CE2-CD1 4.03Å; S1026-I1030 PolarHBondContact O-N 2.92Å; N1027-I1030 VanDerWaalsContact O-CG2 3.26Å; N1027-I1030 WeakPolarHBondContact O-CG2 3.24Å; N1027-I1030 PolarHBondContact O-N 2.97Å; Q1028-I1030 PolarHBondContact O-N 2.91Å; I1030-L1033 HydrophobicContact CD1-CB 4.46Å; I1030-L1033 HydrophobicContact CD1-CD2 4.05Å; I1030-F1034 VanDerWaalsContact O-CB 3.27Å; I1030-F1034 WeakPolarHBondContact O-CB 3.46Å; I1030-F1034 PolarHBondContact O-N 3.12Å; I1030-I1057 HydrophobicContact CD1-CD1 3.84Å; I1030-I1057 HydrophobicContact CD1-CG1 4.38Å; I1030-I1057 HydrophobicContact CD1-CG2 3.7Å; I1030-H1061 HydrophobicContact CB-CB 4.14Å; I1030-H1061 HydrophobicContact CD1-CB 4.05Å; I1030-H1061 HydrophobicContact CG1-CB 3.99Å; I1030-R1064 HydrophobicContact CG2-CB 3.91Å; I1030-R1064 HydrophobicContact CG2-CG 3.59Å; I1030-Y1065 HydrophobicContact CD1-CD2 3.58Å; I1030-Y1065 HydrophobicContact CD1-CG 4.15Å; I1030-Y1065 HydrophobicContact CG1-CD2 4Å; I1030-Y1065 HydrophobicContact CG1-CG 4.43Å
1031E85.8Confident74.9Confident65 Ų6561.7 Ų61.730%0.30433%0.325SS..Hα-helixtrans-70.1-39173-76.5169.4-165.800112.3N1027 Q1028 F1034 T1035 R1064 L1068N1027-E1031 WeakPolarHBondContact O-CB 3.23Å; N1027-E1031 VanDerWaalsContact O-CG 3.32Å; N1027-E1031 WeakPolarHBondContact O-CG 3.35Å; N1027-E1031 PolarHBondContact O-N 3.1Å; Q1028-E1031 PolarHBondContact O-N 2.97Å; E1031-F1034 PolarHBondContact O-N 3.4Å; E1031-T1035 WeakPolarHBondContact O-CB 3.26Å; E1031-T1035 PolarHBondContact O-N 2.78Å; E1031-T1035 PolarHBondContact O-OG1 3.31Å; E1031-R1064 IonicContact OE1-CZ 2.72Å; E1031-R1064 VanDerWaalsContact OE1-CZ 3.22Å; E1031-R1064 IonicContact OE1-NE 3.51Å; E1031-R1064 PolarHBondContact OE1-NE 3.46Å; E1031-R1064 IonicContact OE1-NH2 2.73Å; E1031-R1064 PolarHBondContact OE1-NH2 2.79Å; E1031-L1068 HydrophobicContact CB-CD1 4.47Å; E1031-L1068 HydrophobicContact CG-CD1 3.63Å; E1031-L1068 HydrophobicContact CG-CD2 4.09Å; E1031-L1068 HydrophobicContact CG-CG 4.47Å
1032V84.6Confident76Confident87 Ų8762.8 Ų62.853%0.52733%0.325SS..Hα-helixtrans-62.8-47.6170.8170.80000110.8Q1028 F1034 T1035 Q1036Q1028-V1032 WeakPolarHBondContact O-CG2 3.49Å; Q1028-V1032 PolarHBondContact O-N 3.15Å; V1032-F1034 PolarHBondContact O-N 2.99Å; V1032-T1035 WeakPolarHBondContact O-CB 3.2Å; V1032-T1035 PolarHBondContact O-N 3.1Å; V1032-Q1036 PolarHBondContact O-N 3.25Å
1033L88.5Confident77.3Confident2 Ų259.6 Ų59.61%0.0131%0.313CS..Hα-helixtrans-60.5-46.4176.8174.761.9000111.8V1007 M1008 Y1011 L1029 I1030 T1035 Q1036 L1037 I1057V1007-L1033 HydrophobicContact CG1-CD1 3.23Å; M1008-L1033 HydrophobicContact CE-CD2 4.37Å; M1008-L1033 HydrophobicContact SD-CD1 4.12Å; M1008-L1033 HydrophobicContact SD-CD2 4.22Å; Y1011-L1033 HydrophobicContact CD1-CD2 3.78Å; Y1011-L1033 HydrophobicContact CD2-CB 3.92Å; Y1011-L1033 HydrophobicContact CD2-CD2 3.43Å; Y1011-L1033 VanDerWaalsContact CD2-CD2 3.43Å; Y1011-L1033 HydrophobicContact CD2-CG 4.18Å; Y1011-L1033 HydrophobicContact CE1-CD2 3.94Å; Y1011-L1033 HydrophobicContact CE2-CB 4.31Å; Y1011-L1033 HydrophobicContact CE2-CD2 3.58Å; Y1011-L1033 HydrophobicContact CG-CD2 3.52Å; Y1011-L1033 HydrophobicContact CG-CG 4.41Å; L1029-L1033 PolarHBondContact O-N 3.37Å; L1029-L1033 VanDerWaalsContact O-N 3.13Å; I1030-L1033 HydrophobicContact CD1-CB 4.46Å; I1030-L1033 HydrophobicContact CD1-CD2 4.05Å; L1033-T1035 VanDerWaalsContact C-N 3.27Å; L1033-T1035 PolarHBondContact O-N 3.21Å; L1033-Q1036 PolarHBondContact O-N 3.49Å; L1033-Q1036 VanDerWaalsContact O-N 3.12Å; L1033-L1037 HydrophobicContact CD1-CD1 3.79Å; L1033-L1037 HydrophobicContact CD1-CD2 4.31Å; L1033-L1037 HydrophobicContact CD1-CG 3.73Å; L1033-L1037 HydrophobicContact CD2-CD1 4.3Å; L1033-L1037 HydrophobicContact CG-CD1 3.88Å; L1033-L1037 HydrophobicContact CG-CG 4.18Å; L1033-L1037 WeakPolarHBondContact O-CG 3.48Å; L1033-L1037 PolarHBondContact O-N 3.37Å; L1033-I1057 HydrophobicContact CD2-CD1 3.28Å; L1033-I1057 HydrophobicContact CG-CD1 4.4Å
1034F91.2Very high77.7Confident19 Ų1956.1 Ų56.18%0.08329%0.294CS..Hα-helixtrans-58.1-41.3176.9176.7-100.1000111.7I1030 E1031 V1032 Q1036 L1037 S1038 L1050 Y1065 L1068 C1069 L1072I1030-F1034 VanDerWaalsContact O-CB 3.27Å; I1030-F1034 WeakPolarHBondContact O-CB 3.46Å; I1030-F1034 PolarHBondContact O-N 3.12Å; E1031-F1034 PolarHBondContact O-N 3.4Å; V1032-F1034 PolarHBondContact O-N 2.99Å; F1034-Q1036 VanDerWaalsContact C-N 3.34Å; F1034-Q1036 PolarHBondContact O-N 2.87Å; F1034-L1037 PolarHBondContact O-N 3.21Å; F1034-S1038 VanDerWaalsContact O-CB 3.24Å; F1034-S1038 WeakPolarHBondContact O-CB 3.32Å; F1034-S1038 PolarHBondContact O-N 2.85Å; F1034-S1038 PolarHBondContact O-OG 3.25Å; F1034-S1038 VanDerWaalsContact O-OG 3.13Å; F1034-L1050 HydrophobicContact CE2-CD1 4.37Å; F1034-L1050 HydrophobicContact CE2-CD2 3.89Å; F1034-L1050 HydrophobicContact CE2-CG 4.17Å; F1034-L1050 HydrophobicContact CZ-CD2 4.24Å; F1034-Y1065 HydrophobicContact CB-CD2 4.19Å; F1034-Y1065 HydrophobicContact CB-CE2 4.07Å; F1034-Y1065 HydrophobicContact CD2-CD2 4.17Å; F1034-Y1065 AromaticContact CD2-CE2 3.8Å; F1034-Y1065 HydrophobicContact CD2-CE2 3.8Å; F1034-Y1065 HydrophobicContact CG-CE2 4.45Å; F1034-L1068 HydrophobicContact CB-CB 4.48Å; F1034-L1068 HydrophobicContact CB-CD1 3.86Å; F1034-L1068 HydrophobicContact CD1-CB 3.77Å; F1034-L1068 HydrophobicContact CD1-CD1 4.23Å; F1034-L1068 HydrophobicContact CD1-CD2 4.44Å; F1034-L1068 HydrophobicContact CD1-CG 4.36Å; F1034-L1068 HydrophobicContact CD2-CB 3.77Å; F1034-L1068 HydrophobicContact CE1-CB 3.83Å; F1034-L1068 HydrophobicContact CE2-CB 3.85Å; F1034-L1068 HydrophobicContact CG-CB 3.72Å; F1034-L1068 HydrophobicContact CG-CD1 3.98Å; F1034-L1068 HydrophobicContact CG-CG 4.41Å; F1034-L1068 VanDerWaalsContact CZ-C 3.45Å; F1034-L1068 HydrophobicContact CZ-CB 3.85Å; F1034-L1068 VanDerWaalsContact CZ-O 3.23Å; F1034-L1068 WeakPolarHBondContact CZ-O 3.39Å; F1034-C1069 HydrophobicContact CE2-CB 4.37Å; F1034-L1072 HydrophobicContact CE1-CB 4.47Å; F1034-L1072 HydrophobicContact CE1-CD2 4.15Å; F1034-L1072 HydrophobicContact CE2-CD2 4.37Å; F1034-L1072 HydrophobicContact CZ-CB 3.85Å; F1034-L1072 HydrophobicContact CZ-CD2 3.52Å; F1034-L1072 HydrophobicContact CZ-CG 4.31Å
1035T86.8Confident78Confident65 Ų6560.6 Ų60.640%0.39931%0.305SS..Hα-helixtrans-65.5-34.4176-55.40000112.7E1031 V1032 L1033 S1038 R1039E1031-T1035 WeakPolarHBondContact O-CB 3.26Å; E1031-T1035 PolarHBondContact O-N 2.78Å; E1031-T1035 PolarHBondContact O-OG1 3.31Å; V1032-T1035 WeakPolarHBondContact O-CB 3.2Å; V1032-T1035 PolarHBondContact O-N 3.1Å; L1033-T1035 VanDerWaalsContact C-N 3.27Å; L1033-T1035 PolarHBondContact O-N 3.21Å; T1035-S1038 PolarHBondContact O-OG 3.43Å; T1035-R1039 WeakPolarHBondContact O-CD 3.48Å; T1035-R1039 VanDerWaalsContact O-CG 3.31Å; T1035-R1039 WeakPolarHBondContact O-CG 3.28Å
1036Q87.4Confident78.2Confident61 Ų6159 Ų5929%0.28530%0.302SS..Hα-helixtrans-72.2-45.6174.1-72.1176.4-47.500111.8V1007 V1032 L1033 F1034 R1039V1007-Q1036 HydrophobicContact CG1-CB 3.76Å; V1007-Q1036 HydrophobicContact CG2-CB 3.97Å; V1007-Q1036 HydrophobicContact CG2-CG 4.41Å; V1032-Q1036 PolarHBondContact O-N 3.25Å; L1033-Q1036 PolarHBondContact O-N 3.49Å; L1033-Q1036 VanDerWaalsContact O-N 3.12Å; F1034-Q1036 VanDerWaalsContact C-N 3.34Å; F1034-Q1036 PolarHBondContact O-N 2.87Å; Q1036-R1039 PolarHBondContact O-N 2.81Å
1037L87.5Confident78Confident0 Ų060.5 Ų60.50%031%0.31CS..Hα-helixtrans-69.7-35.1-179.3-67.2-178.2000112.9F1004 V1007 M1008 L1033 F1034 R1039 I1040 F1041 L1050 A1053 Y1065F1004-L1037 HydrophobicContact CD2-CD2 3.51Å; F1004-L1037 HydrophobicContact CE2-CD2 3.53Å; V1007-L1037 HydrophobicContact CG1-CD2 3.77Å; V1007-L1037 HydrophobicContact CG1-CG 4.18Å; M1008-L1037 HydrophobicContact SD-CD1 4.2Å; L1033-L1037 HydrophobicContact CD1-CD1 3.79Å; L1033-L1037 HydrophobicContact CD1-CD2 4.31Å; L1033-L1037 HydrophobicContact CD1-CG 3.73Å; L1033-L1037 HydrophobicContact CD2-CD1 4.3Å; L1033-L1037 HydrophobicContact CG-CD1 3.88Å; L1033-L1037 HydrophobicContact CG-CG 4.18Å; L1033-L1037 WeakPolarHBondContact O-CG 3.48Å; L1033-L1037 PolarHBondContact O-N 3.37Å; F1034-L1037 PolarHBondContact O-N 3.21Å; L1037-R1039 VanDerWaalsContact C-N 3.32Å; L1037-R1039 PolarHBondContact O-N 2.92Å; L1037-I1040 HydrophobicContact CD2-CD1 4.47Å; L1037-I1040 WeakPolarHBondContact O-CB 3.49Å; L1037-I1040 PolarHBondContact O-N 3.23Å; L1037-F1041 HydrophobicContact CB-CD2 4.3Å; L1037-F1041 HydrophobicContact CB-CE2 4.37Å; L1037-F1041 HydrophobicContact CD2-CE2 4.19Å; L1037-F1041 WeakPolarHBondContact O-CD2 3.38Å; L1037-F1041 PolarHBondContact O-N 3.28Å; L1037-L1050 HydrophobicContact CB-CD1 3.96Å; L1037-A1053 HydrophobicContact CD1-CB 4.27Å; L1037-Y1065 HydrophobicContact CD1-CE2 4.1Å; L1037-Y1065 WeakPolarHBondContact CD1-OH 3.46Å
1038S84.3Confident77.7Confident13 Ų1358.3 Ų58.39%0.09131%0.305CS..Hα-helixtrans-65.5-35177.370.40000112.1F1034 T1035 I1040 F1041 I1042F1034-S1038 VanDerWaalsContact O-CB 3.24Å; F1034-S1038 WeakPolarHBondContact O-CB 3.32Å; F1034-S1038 PolarHBondContact O-N 2.85Å; F1034-S1038 PolarHBondContact O-OG 3.25Å; F1034-S1038 VanDerWaalsContact O-OG 3.13Å; T1035-S1038 PolarHBondContact O-OG 3.43Å; S1038-I1040 PolarHBondContact O-N 2.88Å; S1038-F1041 PolarHBondContact O-N 2.93Å; S1038-I1042 WeakPolarHBondContact O-CB 3.42Å; S1038-I1042 WeakPolarHBondContact O-CG1 3.47Å; S1038-I1042 PolarHBondContact O-N 3.49Å
1039R80.4Confident77.4Confident178 Ų17853.2 Ų53.267%0.67228%0.281SS*.Hα-helixtrans-66.8-13.8170.8-69.6172.8179.3-167.80.1114.6R1000 T1035 Q1036 L1037R1000-R1039 PolarHBondContact NH1-O 3.07Å; T1035-R1039 WeakPolarHBondContact O-CD 3.48Å; T1035-R1039 VanDerWaalsContact O-CG 3.31Å; T1035-R1039 WeakPolarHBondContact O-CG 3.28Å; Q1036-R1039 PolarHBondContact O-N 2.81Å; L1037-R1039 VanDerWaalsContact C-N 3.32Å; L1037-R1039 PolarHBondContact O-N 2.92Å
1040I81.5Confident77.4Confident11 Ų1151.5 Ų51.56%0.05627%0.272CS..Hα-helixtrans-95.6-43.4174.2-61.2171.4000110.4R1000 D1003 F1004 L1037 S1038R1000-I1040 HydrophobicContact CB-CG2 4.49Å; D1003-I1040 HydrophobicContact CB-CD1 3.92Å; F1004-I1040 HydrophobicContact CB-CD1 4.39Å; L1037-I1040 HydrophobicContact CD2-CD1 4.47Å; L1037-I1040 WeakPolarHBondContact O-CB 3.49Å; L1037-I1040 PolarHBondContact O-N 3.23Å; S1038-I1040 PolarHBondContact O-N 2.88Å
1041F78Confident76.8Confident2 Ų253.3 Ų53.31%0.00928%0.281CS..Hα-helixtrans-98.4-27.5-170-61.3-52.2000116.4L983 F1004 L1037 S1038 L1044 L1049 L1050 A1053L983-F1041 HydrophobicContact CD1-CE1 3.92Å; L983-F1041 HydrophobicContact CD1-CZ 4.13Å; F1004-F1041 AromaticContact CD2-CE2 3.92Å; F1004-F1041 HydrophobicContact CD2-CE2 3.92Å; F1004-F1041 AromaticContact CD2-CZ 3.53Å; F1004-F1041 HydrophobicContact CD2-CZ 3.53Å; F1004-F1041 AromaticContact CE2-CE2 3.81Å; F1004-F1041 HydrophobicContact CE2-CE2 3.81Å; F1004-F1041 AromaticContact CE2-CZ 3.65Å; F1004-F1041 HydrophobicContact CE2-CZ 3.65Å; F1004-F1041 HydrophobicContact CG-CZ 4.42Å; L1037-F1041 HydrophobicContact CB-CD2 4.3Å; L1037-F1041 HydrophobicContact CB-CE2 4.37Å; L1037-F1041 HydrophobicContact CD2-CE2 4.19Å; L1037-F1041 WeakPolarHBondContact O-CD2 3.38Å; L1037-F1041 PolarHBondContact O-N 3.28Å; S1038-F1041 PolarHBondContact O-N 2.93Å; F1041-L1044 HydrophobicContact CD1-CD1 4.31Å; F1041-L1044 PolarHBondContact O-N 3.06Å; F1041-L1049 HydrophobicContact CD1-CB 4.02Å; F1041-L1049 HydrophobicContact CD1-CD1 4.22Å; F1041-L1049 HydrophobicContact CE1-CB 4.4Å; F1041-L1049 HydrophobicContact CE1-CD1 4.44Å; F1041-L1049 HydrophobicContact CG-CB 4.24Å; F1041-L1050 HydrophobicContact CB-CB 4.15Å; F1041-L1050 HydrophobicContact CB-CD1 4.47Å; F1041-L1050 HydrophobicContact CD2-CB 4.47Å; F1041-L1050 HydrophobicContact CD2-CD1 4Å; F1041-A1053 HydrophobicContact CE2-CB 4.3Å
1042I70.2Confident76.3Confident89 Ų8953.2 Ų53.246%0.45628%0.282SS..G310 helixtrans-59.3-46173.8-59.2164.5000111.4S1038 L1044 E1045 L1072S1038-I1042 WeakPolarHBondContact O-CB 3.42Å; S1038-I1042 WeakPolarHBondContact O-CG1 3.47Å; S1038-I1042 PolarHBondContact O-N 3.49Å; I1042-L1044 PolarHBondContact O-N 3.22Å; I1042-E1045 PolarHBondContact O-N 3.08Å; I1042-E1045 VanDerWaalsContact O-N 3.11Å; I1042-L1072 HydrophobicContact CD1-CD1 4.33Å; I1042-L1072 HydrophobicContact CD1-CD2 3.86Å; I1042-L1072 HydrophobicContact CG1-CD2 4.17Å
1043P69.2Low76Confident83 Ų8349 Ų4954%0.53926%0.257SS..G310 helixtrans-69.23.8-175.3-19.934.6000115.4
1044L63.8Low75.7Confident73 Ų7349.5 Ų49.538%0.38226%0.259SS..G310 helixtrans-105.41.3177.2-58.4174.7000112.3L987 F1041 I1042 V1046L987-L1044 HydrophobicContact CD2-CD1 3.57Å; F1041-L1044 HydrophobicContact CD1-CD1 4.31Å; F1041-L1044 PolarHBondContact O-N 3.06Å; I1042-L1044 PolarHBondContact O-N 3.22Å; L1044-V1046 HydrophobicContact CB-CG2 4.47Å; L1044-V1046 VanDerWaalsContact O-CG2 3.27Å; L1044-V1046 WeakPolarHBondContact O-CG2 3.48Å; L1044-V1046 PolarHBondContact O-N 3.45Å
1045E61.1Low74.8Confident183 Ų18349.6 Ų49.686%0.85526%0.262SS*.THydrogen-bonded Turntrans57.910.7-174.9-54.6-161.3159.500115.8I1042 P1047I1042-E1045 PolarHBondContact O-N 3.08Å; I1042-E1045 VanDerWaalsContact O-N 3.11Å; E1045-P1047 VanDerWaalsContact C-CD 3.43Å; E1045-P1047 WeakPolarHBondContact O-CD 3.22Å
1046V63.2Low74.4Confident56 Ų5647.3 Ų47.334%0.33925%0.247SC..  trans-105.376177.9-158.10000112.2V986 L1044 G1048 L1049V986-V1046 HydrophobicContact CG1-CG1 4.22Å; L1044-V1046 HydrophobicContact CB-CG2 4.47Å; L1044-V1046 VanDerWaalsContact O-CG2 3.27Å; L1044-V1046 WeakPolarHBondContact O-CG2 3.48Å; L1044-V1046 PolarHBondContact O-N 3.45Å; V1046-G1048 PolarHBondContact O-N 2.78Å; V1046-G1048 VanDerWaalsContact O-N 3.09Å; V1046-L1049 HydrophobicContact CB-CD1 4.2Å; V1046-L1049 HydrophobicContact CB-CG 4.16Å; V1046-L1049 HydrophobicContact CG1-CD1 4.37Å; V1046-L1049 HydrophobicContact CG1-CG 3.91Å; V1046-L1049 PolarHBondContact O-N 2.77Å
1047P61.6Low74.2Confident61 Ų6144.5 Ų44.540%0.39623%0.233SC..Hα-helixtrans-62.3-20.8-179.426.4-35.3000113.4E1045 L1049 L1050 Q1051 T1073 L1075E1045-P1047 VanDerWaalsContact C-CD 3.43Å; E1045-P1047 WeakPolarHBondContact O-CD 3.22Å; P1047-L1049 VanDerWaalsContact C-N 3.32Å; P1047-L1049 PolarHBondContact O-N 2.93Å; P1047-L1050 PolarHBondContact O-N 2.73Å; P1047-Q1051 PolarHBondContact O-N 2.93Å; P1047-T1073 HydrophobicContact CB-CG2 3.86Å; P1047-L1075 HydrophobicContact CB-CD1 4.12Å; P1047-L1075 HydrophobicContact CG-CD1 4.36Å
1048G64.2Low73.9Confident27 Ų2747 Ų4728%0.27825%0.247SC..Hα-helixtrans-56.4-41.2171.300000113.1V1046 L1050 Q1051 D1052V1046-G1048 PolarHBondContact O-N 2.78Å; V1046-G1048 VanDerWaalsContact O-N 3.09Å; G1048-L1050 VanDerWaalsContact C-N 3.26Å; G1048-L1050 PolarHBondContact O-N 3.28Å; G1048-Q1051 CarbonylContact O-C 3.51Å; G1048-Q1051 PolarHBondContact O-N 3.12Å; G1048-D1052 WeakPolarHBondContact O-CB 3.48Å; G1048-D1052 PolarHBondContact O-N 2.91Å
1049L69.9Low73.5Confident4 Ų450.8 Ų50.82%0.02127%0.271CS..Hα-helixtrans-63.6-32.1178.7-71-176.4000113Y979 L983 V986 L987 F1041 V1046 P1047 A1053Y979-L1049 PolarHBondContact OH-O 3.27Å; L983-L1049 HydrophobicContact CD1-CD1 4.19Å; L983-L1049 HydrophobicContact CD1-CD2 4.01Å; V986-L1049 HydrophobicContact CB-CD1 4.35Å; V986-L1049 HydrophobicContact CB-CD2 4.05Å; V986-L1049 HydrophobicContact CG1-CD1 3.81Å; V986-L1049 HydrophobicContact CG1-CD2 3.98Å; V986-L1049 HydrophobicContact CG1-CG 4.04Å; V986-L1049 HydrophobicContact CG2-CD2 4.26Å; L987-L1049 HydrophobicContact CD2-CD1 4.18Å; F1041-L1049 HydrophobicContact CD1-CB 4.02Å; F1041-L1049 HydrophobicContact CD1-CD1 4.22Å; F1041-L1049 HydrophobicContact CE1-CB 4.4Å; F1041-L1049 HydrophobicContact CE1-CD1 4.44Å; F1041-L1049 HydrophobicContact CG-CB 4.24Å; V1046-L1049 HydrophobicContact CB-CD1 4.2Å; V1046-L1049 HydrophobicContact CB-CG 4.16Å; V1046-L1049 HydrophobicContact CG1-CD1 4.37Å; V1046-L1049 HydrophobicContact CG1-CG 3.91Å; V1046-L1049 PolarHBondContact O-N 2.77Å; P1047-L1049 VanDerWaalsContact C-N 3.32Å; P1047-L1049 PolarHBondContact O-N 2.93Å; L1049-A1053 WeakPolarHBondContact O-CB 3.39Å; L1049-A1053 PolarHBondContact O-N 3.26Å; L1049-A1053 VanDerWaalsContact O-N 3.13Å
1050L79.3Confident73.4Confident2 Ų248.2 Ų48.21%0.0127%0.267CS..Hα-helixtrans-70.3-35.1175.7-17364.5000111.3F1034 L1037 F1041 P1047 G1048 Y1065 L1072F1034-L1050 HydrophobicContact CE2-CD1 4.37Å; F1034-L1050 HydrophobicContact CE2-CD2 3.89Å; F1034-L1050 HydrophobicContact CE2-CG 4.17Å; F1034-L1050 HydrophobicContact CZ-CD2 4.24Å; L1037-L1050 HydrophobicContact CB-CD1 3.96Å; F1041-L1050 HydrophobicContact CB-CB 4.15Å; F1041-L1050 HydrophobicContact CB-CD1 4.47Å; F1041-L1050 HydrophobicContact CD2-CB 4.47Å; F1041-L1050 HydrophobicContact CD2-CD1 4Å; P1047-L1050 PolarHBondContact O-N 2.73Å; G1048-L1050 VanDerWaalsContact C-N 3.26Å; G1048-L1050 PolarHBondContact O-N 3.28Å; L1050-Y1065 WeakPolarHBondContact CD1-OH 3.4Å; L1050-Y1065 VanDerWaalsContact O-CE1 3.26Å; L1050-Y1065 WeakPolarHBondContact O-CE1 3.43Å; L1050-Y1065 PolarHBondContact O-OH 3.13Å; L1050-L1072 HydrophobicContact CD2-CD2 3.53Å
1051Q75.4Confident73.6Confident38 Ų3848.4 Ų48.418%0.17827%0.267CS..Hα-helixtrans-71.9-45.9173.1-174.8163.649.300111.6P1047 G1048 A1053 I1054 P1076P1047-Q1051 PolarHBondContact O-N 2.93Å; G1048-Q1051 CarbonylContact O-C 3.51Å; G1048-Q1051 PolarHBondContact O-N 3.12Å; Q1051-A1053 PolarHBondContact O-N 3.29Å; Q1051-I1054 VanDerWaalsContact O-CB 3.22Å; Q1051-I1054 WeakPolarHBondContact O-CB 3.47Å; Q1051-I1054 WeakPolarHBondContact O-CG2 3.3Å; Q1051-I1054 PolarHBondContact O-N 3.39Å; Q1051-I1054 VanDerWaalsContact O-N 3.16Å; Q1051-P1076 PolarHBondContact NE2-O 2.89Å
1052D73.3Confident74Confident63 Ų6350.9 Ų50.934%0.33728%0.277SS..Hα-helixtrans-60-32.9179.8-78-31.6000112.7Y979 G1048 I1054 C1055Y979-D1052 HydrophobicContact CE2-CB 3.85Å; Y979-D1052 VanDerWaalsContact CE2-O 3.24Å; Y979-D1052 WeakPolarHBondContact CE2-O 3.43Å; Y979-D1052 VanDerWaalsContact OH-C 3.3Å; Y979-D1052 WeakPolarHBondContact OH-CB 3.41Å; G1048-D1052 WeakPolarHBondContact O-CB 3.48Å; G1048-D1052 PolarHBondContact O-N 2.91Å; D1052-I1054 PolarHBondContact O-N 3.17Å; D1052-C1055 WeakPolarHBondContact O-CB 3.47Å; D1052-C1055 PolarHBondContact O-N 2.84Å; D1052-C1055 PolarHBondContact O-SG 3.33Å
1053A78.3Confident74.6Confident0 Ų053.7 Ų53.70%029%0.285CS..G310 helixtrans-55.7-16.9177.500000113.8Y979 L1037 F1041 L1049 Q1051 C1055 F1056 Y1065Y979-A1053 WeakPolarHBondContact OH-CA 3.39Å; Y979-A1053 PolarHBondContact OH-N 3.22Å; L1037-A1053 HydrophobicContact CD1-CB 4.27Å; F1041-A1053 HydrophobicContact CE2-CB 4.3Å; L1049-A1053 WeakPolarHBondContact O-CB 3.39Å; L1049-A1053 PolarHBondContact O-N 3.26Å; L1049-A1053 VanDerWaalsContact O-N 3.13Å; Q1051-A1053 PolarHBondContact O-N 3.29Å; A1053-C1055 PolarHBondContact O-N 3.07Å; A1053-F1056 PolarHBondContact O-N 3.24Å; A1053-Y1065 HydrophobicContact CB-CE1 4.4Å
1054I83.4Confident75.5Confident11 Ų1153.2 Ų53.26%0.05627%0.273CS..G310 helixtrans-48.4-26.7166.9-159.3170.9000113.4Q1051 D1052 F1056 I1057 R1062 Y1065 A1066 I1083Q1051-I1054 VanDerWaalsContact O-CB 3.22Å; Q1051-I1054 WeakPolarHBondContact O-CB 3.47Å; Q1051-I1054 WeakPolarHBondContact O-CG2 3.3Å; Q1051-I1054 PolarHBondContact O-N 3.39Å; Q1051-I1054 VanDerWaalsContact O-N 3.16Å; D1052-I1054 PolarHBondContact O-N 3.17Å; I1054-F1056 VanDerWaalsContact C-N 3.28Å; I1054-F1056 PolarHBondContact O-N 3.14Å; I1054-I1057 WeakPolarHBondContact O-CB 3.42Å; I1054-I1057 PolarHBondContact O-N 2.87Å; I1054-R1062 HydrophobicContact CD1-CB 4.14Å; I1054-R1062 HydrophobicContact CD1-CG 4.5Å; I1054-R1062 HydrophobicContact CG1-CB 3.97Å; I1054-R1062 HydrophobicContact CG1-CG 3.82Å; I1054-R1062 PolarHBondContact O-NE 3.07Å; I1054-R1062 VanDerWaalsContact O-NE 3.17Å; I1054-Y1065 HydrophobicContact CB-CD1 3.99Å; I1054-Y1065 HydrophobicContact CB-CE1 4.28Å; I1054-Y1065 HydrophobicContact CG1-CD1 4.13Å; I1054-A1066 HydrophobicContact CD1-CB 3.91Å; I1054-I1083 HydrophobicContact CG2-CD1 3.83Å
1055C72.4Confident76.7Confident21 Ų2149.7 Ų49.714%0.14226%0.255CS..G310 helixtrans-56.1-39.5175.1-68.70000112.8Y979 D1052 A1053 R1062Y979-C1055 HydrophobicContact CD2-CB 3.65Å; Y979-C1055 HydrophobicContact CE2-CB 3.94Å; D1052-C1055 WeakPolarHBondContact O-CB 3.47Å; D1052-C1055 PolarHBondContact O-N 2.84Å; D1052-C1055 PolarHBondContact O-SG 3.33Å; A1053-C1055 PolarHBondContact O-N 3.07Å; C1055-R1062 PolarHBondContact O-NH2 2.89Å
1056F77.9Confident77.8Confident17 Ų1741.3 Ų41.38%0.07522%0.216CC..G310 helixtrans-87.4-11.6-178.8-61.9-65.5000114.3Y979 M980 F1004 M1008 A1053 I1054Y979-F1056 HydrophobicContact CD1-CD2 4.12Å; Y979-F1056 HydrophobicContact CD1-CE1 4.41Å; Y979-F1056 AromaticContact CD1-CE2 3.08Å; Y979-F1056 HydrophobicContact CD1-CE2 3.08Å; Y979-F1056 AromaticContact CD1-CZ 3.27Å; Y979-F1056 HydrophobicContact CD1-CZ 3.27Å; Y979-F1056 HydrophobicContact CD2-CE2 4.28Å; Y979-F1056 HydrophobicContact CE1-CD2 4.15Å; Y979-F1056 AromaticContact CE1-CE2 3.33Å; Y979-F1056 HydrophobicContact CE1-CE2 3.33Å; Y979-F1056 HydrophobicContact CE1-CZ 4.02Å; Y979-F1056 HydrophobicContact CE2-CE2 4.45Å; Y979-F1056 HydrophobicContact CG-CD2 4.41Å; Y979-F1056 HydrophobicContact CG-CE1 4.37Å; Y979-F1056 AromaticContact CG-CE2 3.62Å; Y979-F1056 HydrophobicContact CG-CE2 3.62Å; Y979-F1056 AromaticContact CG-CZ 3.6Å; Y979-F1056 HydrophobicContact CG-CZ 3.6Å; M980-F1056 HydrophobicContact CG-CZ 4.33Å; M980-F1056 HydrophobicContact SD-CZ 4.24Å; F1004-F1056 HydrophobicContact CE1-CD2 4.15Å; F1004-F1056 AromaticContact CE1-CE2 3.62Å; F1004-F1056 HydrophobicContact CE1-CE2 3.62Å; F1004-F1056 HydrophobicContact CE1-CZ 4.25Å; F1004-F1056 AromaticContact CZ-CD2 3.59Å; F1004-F1056 HydrophobicContact CZ-CD2 3.59Å; F1004-F1056 AromaticContact CZ-CE2 3.44Å; F1004-F1056 HydrophobicContact CZ-CE2 3.44Å; F1004-F1056 VanDerWaalsContact CZ-CE2 3.44Å; F1004-F1056 HydrophobicContact CZ-CZ 4.46Å; M1008-F1056 HydrophobicContact CE-CB 3.59Å; M1008-F1056 HydrophobicContact SD-CB 4.21Å; A1053-F1056 PolarHBondContact O-N 3.24Å; I1054-F1056 VanDerWaalsContact C-N 3.28Å; I1054-F1056 PolarHBondContact O-N 3.14Å
1057I83.5Confident78.9Confident2 Ų240.5 Ų40.51%0.0121%0.209CC..SBendtrans-73.3131.4176.7-53.1-54.1000108.8I1030 L1033 I1054 H1061 R1062 Y1065I1030-I1057 HydrophobicContact CD1-CD1 3.84Å; I1030-I1057 HydrophobicContact CD1-CG1 4.38Å; I1030-I1057 HydrophobicContact CD1-CG2 3.7Å; L1033-I1057 HydrophobicContact CD2-CD1 3.28Å; L1033-I1057 HydrophobicContact CG-CD1 4.4Å; I1054-I1057 WeakPolarHBondContact O-CB 3.42Å; I1054-I1057 PolarHBondContact O-N 2.87Å; I1057-H1061 HydrophobicContact CG2-CB 3.64Å; I1057-R1062 HydrophobicContact CB-CG 3.98Å; I1057-R1062 HydrophobicContact CG2-CG 3.98Å; I1057-R1062 WeakPolarHBondContact O-CG 3.13Å; I1057-R1062 PolarHBondContact O-NE 3.26Å; I1057-Y1065 HydrophobicContact CD1-CD2 3.97Å; I1057-Y1065 HydrophobicContact CD1-CE2 4.04Å; I1057-Y1065 HydrophobicContact CD1-CG 4.28Å; I1057-Y1065 HydrophobicContact CG1-CD1 3.93Å; I1057-Y1065 HydrophobicContact CG1-CD2 4.04Å; I1057-Y1065 HydrophobicContact CG1-CE1 4.25Å; I1057-Y1065 HydrophobicContact CG1-CE2 4.34Å; I1057-Y1065 HydrophobicContact CG1-CG 3.83Å
1058L80.8Confident80.1Confident54 Ų5438.7 Ų38.728%0.28320%0.196SC..  trans-56.4143.7173.4-65.6-171.2000111.4I1015 E1060 H1061 R1062I1015-L1058 HydrophobicContact CB-CD1 4.5Å; I1015-L1058 HydrophobicContact CD1-CD1 3.88Å; I1015-L1058 HydrophobicContact CD1-CG 4.37Å; I1015-L1058 HydrophobicContact CG2-CD1 3.75Å; L1058-E1060 VanDerWaalsContact C-N 3.27Å; L1058-E1060 HydrophobicContact CB-CG 4.36Å; L1058-E1060 WeakPolarHBondContact CD1-OE1 3.4Å; L1058-E1060 PolarHBondContact O-N 3.3Å; L1058-E1060 VanDerWaalsContact O-N 3.12Å; L1058-H1061 PolarHBondContact O-N 3.31Å; L1058-R1062 PolarHBondContact O-N 3.32Å
1059P75.9Confident80.9Confident92 Ų9237.5 Ų37.560%0.59718%0.183SC*.Hα-helixtrans-48.8-43.2-173-29.836.5000114.9H1061 R1062P1059-H1061 VanDerWaalsContact C-N 3.26Å; P1059-H1061 PolarHBondContact O-N 3.05Å; P1059-R1062 PolarHBondContact O-N 3.45Å
1060E78.2Confident81.5Confident124 Ų12440.5 Ų40.558%0.57920%0.197SC*.Hα-helixtrans-60.1-29.5179.156.8-91.5-145.500114L1058L1058-E1060 VanDerWaalsContact C-N 3.27Å; L1058-E1060 HydrophobicContact CB-CG 4.36Å; L1058-E1060 WeakPolarHBondContact CD1-OE1 3.4Å; L1058-E1060 PolarHBondContact O-N 3.3Å; L1058-E1060 VanDerWaalsContact O-N 3.12Å
1061H85.7Confident81.6Confident14 Ų1446.2 Ų46.27%0.06523%0.227CC..Hα-helixtrans-97.9-12.7-178.2-62.7166.5000113.3Y1011 S1026 I1030 I1057 L1058 P1059 K1063 R1064 Y1065Y1011-H1061 AromaticContact CE2-ND1 3.9Å; Y1011-H1061 AromaticContact CZ-ND1 3.74Å; Y1011-H1061 WeakPolarHBondContact OH-CB 3.29Å; Y1011-H1061 PolarHBondContact OH-ND1 3.44Å; S1026-H1061 WeakPolarHBondContact CB-NE2 3.45Å; I1030-H1061 HydrophobicContact CB-CB 4.14Å; I1030-H1061 HydrophobicContact CD1-CB 4.05Å; I1030-H1061 HydrophobicContact CG1-CB 3.99Å; I1057-H1061 HydrophobicContact CG2-CB 3.64Å; L1058-H1061 PolarHBondContact O-N 3.31Å; P1059-H1061 VanDerWaalsContact C-N 3.26Å; P1059-H1061 PolarHBondContact O-N 3.05Å; H1061-K1063 VanDerWaalsContact C-N 3.31Å; H1061-K1063 PolarHBondContact O-N 3.4Å; H1061-R1064 PolarHBondContact O-N 2.9Å; H1061-Y1065 PolarHBondContact O-N 3.13Å
1062R86.9Confident81.7Confident55 Ų5548.3 Ų48.321%0.20824%0.239CC..Hα-helixtrans-57.4-38.7-175.8-75.1-175.8179.1178.5-3.8113.5I1054 C1055 I1057 L1058 P1059 Y1065 A1066I1054-R1062 HydrophobicContact CD1-CB 4.14Å; I1054-R1062 HydrophobicContact CD1-CG 4.5Å; I1054-R1062 HydrophobicContact CG1-CB 3.97Å; I1054-R1062 HydrophobicContact CG1-CG 3.82Å; I1054-R1062 PolarHBondContact O-NE 3.07Å; I1054-R1062 VanDerWaalsContact O-NE 3.17Å; C1055-R1062 PolarHBondContact O-NH2 2.89Å; I1057-R1062 HydrophobicContact CB-CG 3.98Å; I1057-R1062 HydrophobicContact CG2-CG 3.98Å; I1057-R1062 WeakPolarHBondContact O-CG 3.13Å; I1057-R1062 PolarHBondContact O-NE 3.26Å; L1058-R1062 PolarHBondContact O-N 3.32Å; P1059-R1062 PolarHBondContact O-N 3.45Å; R1062-Y1065 PolarHBondContact O-N 3.31Å; R1062-A1066 WeakPolarHBondContact O-CB 3.27Å; R1062-A1066 PolarHBondContact O-N 3.06Å
1063K83Confident81.6Confident147 Ų14747.4 Ų47.464%0.63924%0.236SC*.Hα-helixtrans-60.9-51178.6-171.2-173.5-179.3-97.80111.3H1061 Y1065 A1066 E1067H1061-K1063 VanDerWaalsContact C-N 3.31Å; H1061-K1063 PolarHBondContact O-N 3.4Å; K1063-Y1065 VanDerWaalsContact C-N 3.34Å; K1063-Y1065 PolarHBondContact O-N 2.79Å; K1063-A1066 PolarHBondContact O-N 3.46Å; K1063-E1067 WeakPolarHBondContact CE-OE1 3.42Å; K1063-E1067 IonicContact NZ-OE1 2.7Å; K1063-E1067 PolarHBondContact NZ-OE1 3.26Å; K1063-E1067 WeakPolarHBondContact O-CG 3.45Å; K1063-E1067 PolarHBondContact O-N 2.92Å
1064R87.7Confident81.1Confident73 Ų7350 Ų5028%0.27526%0.263SS..Hα-helixtrans-65.5-38.3-179.6-17556.4176.7169.70.9111.6I1030 E1031 H1061 A1066 E1067 L1068I1030-R1064 HydrophobicContact CG2-CB 3.91Å; I1030-R1064 HydrophobicContact CG2-CG 3.59Å; E1031-R1064 IonicContact OE1-CZ 2.72Å; E1031-R1064 VanDerWaalsContact OE1-CZ 3.22Å; E1031-R1064 IonicContact OE1-NE 3.51Å; E1031-R1064 PolarHBondContact OE1-NE 3.46Å; E1031-R1064 IonicContact OE1-NH2 2.73Å; E1031-R1064 PolarHBondContact OE1-NH2 2.79Å; H1061-R1064 PolarHBondContact O-N 2.9Å; R1064-A1066 PolarHBondContact O-N 2.97Å; R1064-E1067 VanDerWaalsContact CD-OE2 3.26Å; R1064-E1067 WeakPolarHBondContact CD-OE2 3.49Å; R1064-E1067 IonicContact CZ-OE2 3.44Å; R1064-E1067 IonicContact NH1-OE2 3.7Å; R1064-E1067 PolarHBondContact NH1-OE2 2.8Å; R1064-E1067 WeakPolarHBondContact O-CB 3.4Å; R1064-E1067 PolarHBondContact O-N 2.7Å; R1064-L1068 HydrophobicContact CG-CD1 4.24Å; R1064-L1068 VanDerWaalsContact O-CG 3.25Å; R1064-L1068 WeakPolarHBondContact O-CG 3.49Å; R1064-L1068 PolarHBondContact O-N 3.03Å
1065Y89.5Confident79.9Confident0 Ų052.3 Ų52.30%028%0.275CS..Hα-helixtrans-61.1-42.9173.4-167.6-97.9000112.5I1030 F1034 L1037 L1050 A1053 I1054 I1057 H1061 R1062 K1063 L1068 C1069I1030-Y1065 HydrophobicContact CD1-CD2 3.58Å; I1030-Y1065 HydrophobicContact CD1-CG 4.15Å; I1030-Y1065 HydrophobicContact CG1-CD2 4Å; I1030-Y1065 HydrophobicContact CG1-CG 4.43Å; F1034-Y1065 HydrophobicContact CB-CD2 4.19Å; F1034-Y1065 HydrophobicContact CB-CE2 4.07Å; F1034-Y1065 HydrophobicContact CD2-CD2 4.17Å; F1034-Y1065 AromaticContact CD2-CE2 3.8Å; F1034-Y1065 HydrophobicContact CD2-CE2 3.8Å; F1034-Y1065 HydrophobicContact CG-CE2 4.45Å; L1037-Y1065 HydrophobicContact CD1-CE2 4.1Å; L1037-Y1065 WeakPolarHBondContact CD1-OH 3.46Å; L1050-Y1065 WeakPolarHBondContact CD1-OH 3.4Å; L1050-Y1065 VanDerWaalsContact O-CE1 3.26Å; L1050-Y1065 WeakPolarHBondContact O-CE1 3.43Å; L1050-Y1065 PolarHBondContact O-OH 3.13Å; A1053-Y1065 HydrophobicContact CB-CE1 4.4Å; I1054-Y1065 HydrophobicContact CB-CD1 3.99Å; I1054-Y1065 HydrophobicContact CB-CE1 4.28Å; I1054-Y1065 HydrophobicContact CG1-CD1 4.13Å; I1057-Y1065 HydrophobicContact CD1-CD2 3.97Å; I1057-Y1065 HydrophobicContact CD1-CE2 4.04Å; I1057-Y1065 HydrophobicContact CD1-CG 4.28Å; I1057-Y1065 HydrophobicContact CG1-CD1 3.93Å; I1057-Y1065 HydrophobicContact CG1-CD2 4.04Å; I1057-Y1065 HydrophobicContact CG1-CE1 4.25Å; I1057-Y1065 HydrophobicContact CG1-CE2 4.34Å; I1057-Y1065 HydrophobicContact CG1-CG 3.83Å; H1061-Y1065 PolarHBondContact O-N 3.13Å; R1062-Y1065 PolarHBondContact O-N 3.31Å; K1063-Y1065 VanDerWaalsContact C-N 3.34Å; K1063-Y1065 PolarHBondContact O-N 2.79Å; Y1065-L1068 PolarHBondContact O-N 2.93Å; Y1065-C1069 WeakPolarHBondContact CE1-SG 3.06Å; Y1065-C1069 PolarHBondContact O-N 3.38Å; Y1065-C1069 PolarHBondContact O-SG 2.82Å
1066A84.5Confident79Confident6 Ų655.8 Ų55.85%0.0530%0.297CS..Hα-helixtrans-66.7-37.617700000113I1054 R1062 K1063 R1064 C1069 H1070 I1077I1054-A1066 HydrophobicContact CD1-CB 3.91Å; R1062-A1066 WeakPolarHBondContact O-CB 3.27Å; R1062-A1066 PolarHBondContact O-N 3.06Å; K1063-A1066 PolarHBondContact O-N 3.46Å; R1064-A1066 PolarHBondContact O-N 2.97Å; A1066-C1069 PolarHBondContact O-N 3.07Å; A1066-H1070 WeakPolarHBondContact O-CB 3.17Å; A1066-H1070 PolarHBondContact O-N 3.39Å; A1066-I1077 HydrophobicContact CB-CG2 3.99Å
1067E85.2Confident78Confident40 Ų4058.6 Ų58.619%0.18731%0.313CS..Hα-helixtrans-59.4-45.5171-70.3166.2-168.100111.3K1063 R1064 H1070 N1071 I1077K1063-E1067 WeakPolarHBondContact CE-OE1 3.42Å; K1063-E1067 IonicContact NZ-OE1 2.7Å; K1063-E1067 PolarHBondContact NZ-OE1 3.26Å; K1063-E1067 WeakPolarHBondContact O-CG 3.45Å; K1063-E1067 PolarHBondContact O-N 2.92Å; R1064-E1067 VanDerWaalsContact CD-OE2 3.26Å; R1064-E1067 WeakPolarHBondContact CD-OE2 3.49Å; R1064-E1067 IonicContact CZ-OE2 3.44Å; R1064-E1067 IonicContact NH1-OE2 3.7Å; R1064-E1067 PolarHBondContact NH1-OE2 2.8Å; R1064-E1067 WeakPolarHBondContact O-CB 3.4Å; R1064-E1067 PolarHBondContact O-N 2.7Å; E1067-H1070 PolarHBondContact O-N 3.44Å; E1067-N1071 WeakPolarHBondContact O-CB 3.23Å; E1067-N1071 PolarHBondContact O-N 2.94Å; E1067-N1071 PolarHBondContact O-ND2 3.31Å; E1067-N1071 PolarHBondContact O-OD1 2.98Å; E1067-I1077 HydrophobicContact CG-CD1 4.34Å
1068L88.2Confident76.6Confident23 Ų2361.4 Ų61.412%0.1233%0.329CS..Hα-helixtrans-65.8-42.7178.6-66.6164.5000112.2E1031 F1034 R1064 Y1065 H1070 N1071 L1072E1031-L1068 HydrophobicContact CB-CD1 4.47Å; E1031-L1068 HydrophobicContact CG-CD1 3.63Å; E1031-L1068 HydrophobicContact CG-CD2 4.09Å; E1031-L1068 HydrophobicContact CG-CG 4.47Å; F1034-L1068 HydrophobicContact CB-CB 4.48Å; F1034-L1068 HydrophobicContact CB-CD1 3.86Å; F1034-L1068 HydrophobicContact CD1-CB 3.77Å; F1034-L1068 HydrophobicContact CD1-CD1 4.23Å; F1034-L1068 HydrophobicContact CD1-CD2 4.44Å; F1034-L1068 HydrophobicContact CD1-CG 4.36Å; F1034-L1068 HydrophobicContact CD2-CB 3.77Å; F1034-L1068 HydrophobicContact CE1-CB 3.83Å; F1034-L1068 HydrophobicContact CE2-CB 3.85Å; F1034-L1068 HydrophobicContact CG-CB 3.72Å; F1034-L1068 HydrophobicContact CG-CD1 3.98Å; F1034-L1068 HydrophobicContact CG-CG 4.41Å; F1034-L1068 VanDerWaalsContact CZ-C 3.45Å; F1034-L1068 HydrophobicContact CZ-CB 3.85Å; F1034-L1068 VanDerWaalsContact CZ-O 3.23Å; F1034-L1068 WeakPolarHBondContact CZ-O 3.39Å; R1064-L1068 HydrophobicContact CG-CD1 4.24Å; R1064-L1068 VanDerWaalsContact O-CG 3.25Å; R1064-L1068 WeakPolarHBondContact O-CG 3.49Å; R1064-L1068 PolarHBondContact O-N 3.03Å; Y1065-L1068 PolarHBondContact O-N 2.93Å; L1068-H1070 PolarHBondContact O-N 3.31Å; L1068-N1071 PolarHBondContact O-N 3.47Å; L1068-L1072 WeakPolarHBondContact O-CB 3.32Å; L1068-L1072 PolarHBondContact O-N 2.75Å; L1068-L1072 VanDerWaalsContact O-N 3.13Å
1069C80.8Confident74.9Confident1 Ų166.7 Ų66.71%0.00735%0.353CS..Hα-helixtrans-59.5-45.5174.1-65.30000111.6F1034 Y1065 A1066 L1072 T1073F1034-C1069 HydrophobicContact CE2-CB 4.37Å; Y1065-C1069 WeakPolarHBondContact CE1-SG 3.06Å; Y1065-C1069 PolarHBondContact O-N 3.38Å; Y1065-C1069 PolarHBondContact O-SG 2.82Å; A1066-C1069 PolarHBondContact O-N 3.07Å; C1069-L1072 PolarHBondContact O-N 2.74Å; C1069-T1073 WeakPolarHBondContact O-CB 3.42Å; C1069-T1073 PolarHBondContact O-N 2.93Å; C1069-T1073 PolarHBondContact O-OG1 2.86Å
1070H82.6Confident73Confident67 Ų6764.5 Ų64.531%0.3134%0.339SS..Hα-helixtrans-62.4-47.7178.1177.358000111.9A1066 E1067 L1068 L1072 T1073 G1074 L1075 I1077A1066-H1070 WeakPolarHBondContact O-CB 3.17Å; A1066-H1070 PolarHBondContact O-N 3.39Å; E1067-H1070 PolarHBondContact O-N 3.44Å; L1068-H1070 PolarHBondContact O-N 3.31Å; H1070-L1072 PolarHBondContact O-N 3.11Å; H1070-T1073 PolarHBondContact O-N 2.96Å; H1070-G1074 PolarHBondContact ND1-O 3.37Å; H1070-G1074 WeakPolarHBondContact O-CA 3.5Å; H1070-G1074 PolarHBondContact O-N 2.84Å; H1070-L1075 WeakPolarHBondContact CA-O 3.23Å; H1070-L1075 PolarHBondContact ND1-O 2.73Å; H1070-I1077 HydrophobicContact CB-CD1 4.19Å; H1070-I1077 HydrophobicContact CB-CG1 3.51Å
1071N80Confident71Confident123 Ų12366.3 Ų66.366%0.65835%0.353SS*.Hα-helixtrans-62.6-28.3-179.5-68.2-11.3000113.3E1067 L1068E1067-N1071 WeakPolarHBondContact O-CB 3.23Å; E1067-N1071 PolarHBondContact O-N 2.94Å; E1067-N1071 PolarHBondContact O-ND2 3.31Å; E1067-N1071 PolarHBondContact O-OD1 2.98Å; L1068-N1071 PolarHBondContact O-N 3.47Å
1072L77.5Confident68.5Low81 Ų8169.1 Ų69.142%0.42438%0.375SS..Hα-helixtrans-86.7-37178.1177.769.7000113.4F1034 I1042 L1050 L1068 C1069 H1070F1034-L1072 HydrophobicContact CE1-CB 4.47Å; F1034-L1072 HydrophobicContact CE1-CD2 4.15Å; F1034-L1072 HydrophobicContact CE2-CD2 4.37Å; F1034-L1072 HydrophobicContact CZ-CB 3.85Å; F1034-L1072 HydrophobicContact CZ-CD2 3.52Å; F1034-L1072 HydrophobicContact CZ-CG 4.31Å; I1042-L1072 HydrophobicContact CD1-CD1 4.33Å; I1042-L1072 HydrophobicContact CD1-CD2 3.86Å; I1042-L1072 HydrophobicContact CG1-CD2 4.17Å; L1050-L1072 HydrophobicContact CD2-CD2 3.53Å; L1068-L1072 WeakPolarHBondContact O-CB 3.32Å; L1068-L1072 PolarHBondContact O-N 2.75Å; L1068-L1072 VanDerWaalsContact O-N 3.13Å; C1069-L1072 PolarHBondContact O-N 2.74Å; H1070-L1072 PolarHBondContact O-N 3.11Å
1073T70.8Confident65.9Low45 Ų4571 Ų7128%0.27639%0.388SS..Hα-helixtrans-113.3-10.6-166.865.50000114.5P1047 C1069 H1070 L1075P1047-T1073 HydrophobicContact CB-CG2 3.86Å; C1069-T1073 WeakPolarHBondContact O-CB 3.42Å; C1069-T1073 PolarHBondContact O-N 2.93Å; C1069-T1073 PolarHBondContact O-OG1 2.86Å; H1070-T1073 PolarHBondContact O-N 2.96Å; T1073-L1075 PolarHBondContact O-N 2.88Å; T1073-L1075 WeakPolarHBondContact OG1-CB 3.27Å; T1073-L1075 PolarHBondContact OG1-N 3.23Å
1074G68.2Low63.3Low55 Ų5570 Ų7057%0.56739%0.389SS*.  trans71.1-15.1-170.800000114.8H1070H1070-G1074 PolarHBondContact ND1-O 3.37Å; H1070-G1074 WeakPolarHBondContact O-CA 3.5Å; H1070-G1074 PolarHBondContact O-N 2.84Å
1075L57.9Low60.6Low59 Ų5974.6 Ų74.631%0.30941%0.411SS..  trans-61135.9-178.5-62.8175.6000110.8P1047 H1070 T1073P1047-L1075 HydrophobicContact CB-CD1 4.12Å; P1047-L1075 HydrophobicContact CG-CD1 4.36Å; H1070-L1075 WeakPolarHBondContact CA-O 3.23Å; H1070-L1075 PolarHBondContact ND1-O 2.73Å; T1073-L1075 PolarHBondContact O-N 2.88Å; T1073-L1075 WeakPolarHBondContact OG1-CB 3.27Å; T1073-L1075 PolarHBondContact OG1-N 3.23Å
1076P55.1Low57.5Low93 Ų9384.2 Ų84.260%0.60445%0.453SS*.  trans-62.6146.9-170.724.7-34.5000112.6Q1051 V1078Q1051-P1076 PolarHBondContact NE2-O 2.89Å; P1076-V1078 PolarHBondContact O-N 3.12Å
1077I57.2Low54.7Low77 Ų7790 Ų9040%0.39549%0.488SS..  trans-65.594.8176.3-59.1176.7000109.5A1066 E1067 H1070 Q1079A1066-I1077 HydrophobicContact CB-CG2 3.99Å; E1067-I1077 HydrophobicContact CG-CD1 4.34Å; H1070-I1077 HydrophobicContact CB-CD1 4.19Å; H1070-I1077 HydrophobicContact CB-CG1 3.51Å; I1077-Q1079 PolarHBondContact O-N 2.98Å
1078V53.2Low51.9Low60 Ų6094.2 Ų94.236%0.36451%0.512SS..  trans-64.3105.4169.7178.40000108.3P1076 S1080 S1082P1076-V1078 PolarHBondContact O-N 3.12Å; V1078-S1080 PolarHBondContact O-N 2.7Å; V1078-S1082 WeakPolarHBondContact CG1-OG 3.43Å
1079Q45.3Very low48.9Very low165 Ų16597 Ų9777%0.77153%0.53SS*.  trans-57.9126.7174.4-67.3-172.9-1.600109.1I1077 N1081 S1082I1077-Q1079 PolarHBondContact O-N 2.98Å; Q1079-N1081 PolarHBondContact O-N 3.32Å; Q1079-S1082 PolarHBondContact O-OG 2.87Å
1080S35Very low46.2Very low46 Ų4699.3 Ų99.332%0.32255%0.546SS..THydrogen-bonded Turntrans-7637.1-154.363.50000116.6V1078V1078-S1080 PolarHBondContact O-N 2.7Å
1081N36.8Very low43.5Very low163 Ų163101.6 Ų101.687%0.87256%0.561SS**THydrogen-bonded Turntrans-123.79.5179.9-74.9-35.3000113.1Q1079Q1079-N1081 PolarHBondContact O-N 3.32Å
1082S33.3Very low40.9Very low73 Ų73103.5 Ų103.551%0.5157%0.566SS.*  trans-12931.6-167.861.40000115.5V1078 Q1079V1078-S1082 WeakPolarHBondContact CG1-OG 3.43Å; Q1079-S1082 PolarHBondContact O-OG 2.87Å
1083I32.8Very low38.5Very low94 Ų94105.3 Ų105.348%0.48258%0.58SS.*  trans-85.5-18175.3-70.8169.3000112I1054 K1085I1054-I1083 HydrophobicContact CG2-CD1 3.83Å; I1083-K1085 PolarHBondContact O-N 3.37Å
1084D28Very low36.3Very low126 Ų126107.9 Ų107.967%0.67460%0.599SS**SBendtrans-88.495.9174.3-99.7-52.1000113.1
1085K30.2Very low34.2Very low169 Ų169116.6 Ų116.674%0.73562%0.615SS**  trans76.6107.8158-52.1-175.4-179.9-171.70118.9I1083I1083-K1085 PolarHBondContact O-N 3.37Å
1086F24.9Very low32.6Very low202 Ų202119.6 Ų119.689%0.88664%0.641SS**  trans-84.8-178.2145.8-103.4-91.3000111.5
1087V25.9Very low31.1Very low129 Ų129123.4 Ų123.478%0.78265%0.651SS**  trans78.2113.7179.9-1720000113.5
1088D25.7Very low29.6Very low127 Ų127124.4 Ų124.468%0.67967%0.671SS**  cis-148179.6-1.2-136.3-38.4000115.7
1089T25.2Very low28.2Very low82 Ų82129.6 Ų129.650%0.50370%0.695SS.*  trans-83-163.8-156.450.70000117.7R1163T1089-R1163 VanDerWaalsContact O-CD 3.23Å; T1089-R1163 WeakPolarHBondContact O-CD 3.23Å; T1089-R1163 PolarHBondContact O-NH1 2.87Å
1090S24.6Very low27.2Very low50 Ų50128.9 Ų128.935%0.3570%0.697SS.*  trans108.776.2131.275.60000121.8R1163S1090-R1163 VanDerWaalsContact C-NH1 3.26Å; S1090-R1163 PolarHBondContact O-NH1 2.85Å; S1090-R1163 PolarHBondContact O-NH2 2.78Å; S1090-R1163 PolarHBondContact OG-NH1 2.88Å
1091N26.5Very low26.7Very low114 Ų114131.3 Ų131.361%0.6171%0.714SS**  trans83.1145.9159.5-50.9-37000116.5R1163N1091-R1163 PolarHBondContact O-NE 2.98Å; N1091-R1163 PolarHBondContact O-NH2 3.24Å
1092Q25.8Very low26.1Very low164 Ų164131.5 Ų131.577%0.76672%0.715SS**  cis-160.5-175.8-2.8-117.9172.532.800107.3
1093V26.7Very low25.7Very low119 Ų119136 Ų13672%0.72173%0.728SS**  cis-147.3169.118.780.80000112.3
1094S23.9Very low25.2Very low98 Ų98137.5 Ų137.569%0.68574%0.744SS**  trans-61.5142.9-179.7-37.10000116.3
1095R23.5Very low25Very low239 Ų239137.6 Ų137.690%0.90275%0.749SS**  176126.7103.6-98.9176.8170.3159.5-4.1112.8
1096S24.4Very low24.7Very low122 Ų122138.6 Ų138.685%0.85375%0.753SS**  trans-131.8144.1150530000107.9
1097Q24.7Very low24.9Very low172 Ų172135.8 Ų135.880%0.80475%0.746SS**  trans-129.2143.8175.1-112.9-177.9-18.300108.9
1098A24.8Very low25Very low99 Ų99138.2 Ų138.282%0.81875%0.749SS**  trans51.889.7163.500000117.9N1100A1098-N1100 PolarHBondContact O-N 2.99Å
1099L23.8Very low25.1Very low168 Ų168142 Ų14288%0.8876%0.76SS**  trans-65.7116.4141.2-81.7161.4000108.7
1100N24.8Very low25.4Very low150 Ų150145.3 Ų145.380%0.80277%0.773SS**  167.588.1127.8-85.8-1.2000112A1098A1098-N1100 PolarHBondContact O-N 2.99Å
1101S23.6Very low25.8Very low97 Ų97148 Ų14868%0.67879%0.789SS**  trans-136.3118.7153.650.70000108.3Q1103S1101-Q1103 VanDerWaalsContact C-N 3.32Å; S1101-Q1103 PolarHBondContact O-N 3Å
1102N24.5Very low26.8Very low168 Ų168152.4 Ų152.490%0.89881%0.806SS**  trans-79.578.2-178-80-5.2000110.7
1103Q24.9Very low28.2Very low167 Ų167149.1 Ų149.178%0.7880%0.797SS**SBendtrans-158.8150.8164.5-107166.119.900110S1101 V1105S1101-Q1103 VanDerWaalsContact C-N 3.32Å; S1101-Q1103 PolarHBondContact O-N 3Å; Q1103-V1105 PolarHBondContact O-N 3.39Å
1104P23.6Very low30.1Very low125 Ų125147.1 Ų147.181%0.81279%0.788SS**  trans-71.1114-173.928-33.9000111.5K1106P1104-K1106 PolarHBondContact O-N 3.34Å
1105V24Very low32.7Very low128 Ų128144.6 Ų144.678%0.77677%0.766SS**  trans-69.2117.3-179.9178.60000110.2Q1103 L1107Q1103-V1105 PolarHBondContact O-N 3.39Å; V1105-L1107 PolarHBondContact O-N 3.49Å
1106K23.6Very low35.7Very low190 Ų190139.9 Ų139.983%0.82675%0.748SS**  trans-64.9122.2171.7-67.3174.7179.6173.70109.5P1104 E1108P1104-K1106 PolarHBondContact O-N 3.34Å; K1106-E1108 PolarHBondContact O-N 3.01Å
1107L27.4Very low38.9Very low143 Ų143134.2 Ų134.275%0.74971%0.708SS**  trans-69.1110.3169-88.1163.6000110V1105V1105-L1107 PolarHBondContact O-N 3.49Å
1108E28.7Very low41.9Very low181 Ų181127.1 Ų127.185%0.84668%0.678SS**PPolyproline II helixtrans-67.8159.4173-64.7-166.4129.300112.4K1106 I1110K1106-E1108 PolarHBondContact O-N 3.01Å; E1108-I1110 PolarHBondContact O-N 3.13Å
1109K28.7Very low44.9Very low206 Ų206126.3 Ų126.390%0.89666%0.656SS**PPolyproline II helixtrans-79.2118.4-172.7-61.9178-178.9179.50111
1110I30.2Very low48.1Very low151 Ų151121.5 Ų121.577%0.77464%0.635SS**PPolyproline II helixtrans-80.4138.5163-60.8178.1000108.2E1108E1108-I1110 PolarHBondContact O-N 3.13Å
1111P33Very low51.2Low107 Ų107118.3 Ų118.370%0.69563%0.625SS**PPolyproline II helixtrans-63163.4-179.7-2434.8000114.6V1113P1111-V1113 VanDerWaalsContact C-N 3.31Å; P1111-V1113 PolarHBondContact O-N 3.49Å
1112E48Very low54.1Low206 Ų206115.5 Ų115.596%0.96361%0.608SS**  trans-70.376.7179.9-62.2-177.4147.100112.5
1113V54.6Low57Low96 Ų96111 Ų11158%0.58258%0.584SS**  trans-76122.7170.6-178.70000109.1P1111 M1115 I1136P1111-V1113 VanDerWaalsContact C-N 3.31Å; P1111-V1113 PolarHBondContact O-N 3.49Å; V1113-M1115 PolarHBondContact O-N 2.98Å; V1113-I1136 HydrophobicContact CG1-CD1 4.06Å
1114S67.7Low59.4Low76 Ų76106.7 Ų106.753%0.53157%0.57SS.*  trans-51.8124.1175.5173.80000111R1116S1114-R1116 PolarHBondContact O-N 3.4Å; S1114-R1116 WeakPolarHBondContact OG-CB 3.11Å; S1114-R1116 PolarHBondContact OG-N 3.15Å
1115M78.2Confident62.2Low46 Ų46101 Ų10123%0.22753%0.533CS..  trans-81.99.6-179.1-75-81.6-114.900112.8V1113 P1124 A1125 P1128 I1136 L1168 Q1170V1113-M1115 PolarHBondContact O-N 2.98Å; M1115-P1124 HydrophobicContact CB-CB 3.59Å; M1115-P1124 HydrophobicContact CG-CB 4.39Å; M1115-A1125 WeakPolarHBondContact O-CB 3.23Å; M1115-A1125 PolarHBondContact O-N 3.1Å; M1115-P1128 HydrophobicContact CE-CB 4.01Å; M1115-P1128 HydrophobicContact CE-CG 3.55Å; M1115-P1128 HydrophobicContact SD-CB 3.85Å; M1115-P1128 HydrophobicContact SD-CG 4.09Å; M1115-I1136 HydrophobicContact SD-CD1 4.28Å; M1115-L1168 HydrophobicContact CE-CB 4.47Å; M1115-L1168 HydrophobicContact SD-CD1 3.82Å; M1115-Q1170 HydrophobicContact CE-CG 4.26Å
1116R87.2Confident64.9Low140 Ų140101 Ų10153%0.52853%0.525SS..  trans-61.2134.1-175.9-171.2167-63.8-158.7-3.2112.5S1114 C1118 A1122 D1123S1114-R1116 PolarHBondContact O-N 3.4Å; S1114-R1116 WeakPolarHBondContact OG-CB 3.11Å; S1114-R1116 PolarHBondContact OG-N 3.15Å; R1116-C1118 PolarHBondContact O-N 2.97Å; R1116-A1122 WeakPolarHBondContact CA-O 3.46Å; R1116-D1123 HydrophobicContact CB-CB 4.1Å; R1116-D1123 HydrophobicContact CG-CB 4.11Å; R1116-D1123 IonicContact CZ-OD2 2.79Å; R1116-D1123 VanDerWaalsContact CZ-OD2 3.25Å; R1116-D1123 PolarHBondContact N-OD1 2.94Å; R1116-D1123 IonicContact NE-OD2 3.84Å; R1116-D1123 PolarHBondContact NE-OD2 2.87Å; R1116-D1123 IonicContact NH2-OD2 3.25Å; R1116-D1123 PolarHBondContact NH2-OD2 2.98Å
1117C90.9Very high67.8Low2 Ų295.4 Ų95.41%0.01451%0.507CS..  trans-73.5118.3178177.60000112.7K1119 C1120 S1121 A1122 A1125 C1138C1117-K1119 PolarHBondContact O-N 3.1Å; C1117-C1120 PolarHBondContact SG-N 2.8Å; C1117-C1120 VanDerWaalsContact SG-N 3.41Å; C1117-C1120 PolarHBondContact SG-SG 2.98Å; C1117-S1121 VanDerWaalsContact O-CA 3.23Å; C1117-S1121 WeakPolarHBondContact O-CA 3.39Å; C1117-S1121 PolarHBondContact O-N 2.84Å; C1117-A1122 HydrophobicContact CB-CB 4.41Å; C1117-A1122 WeakPolarHBondContact CB-O 3.46Å; C1117-A1122 PolarHBondContact N-O 2.83Å; C1117-A1125 HydrophobicContact CB-CB 3.79Å; C1117-C1138 VanDerWaalsContact CB-SG 3.59Å; C1117-C1138 PolarHBondContact SG-N 3.44Å
1118C87.9Confident70.5Confident24 Ų2489 Ų8916%0.16247%0.473CS..THydrogen-bonded Turntrans-7211.2-179.377.90000116.5R1116 I1136 W1142 P1154 L1155R1116-C1118 PolarHBondContact O-N 2.97Å; C1118-I1136 WeakPolarHBondContact CB-O 3.2Å; C1118-I1136 PolarHBondContact N-O 2.88Å; C1118-I1136 PolarHBondContact SG-O 2.87Å; C1118-W1142 WeakPolarHBondContact SG-CH2 3.35Å; C1118-P1154 VanDerWaalsContact O-CG 3.27Å; C1118-P1154 WeakPolarHBondContact O-CG 3.26Å; C1118-L1155 HydrophobicContact CB-CD1 3.46Å; C1118-L1155 VanDerWaalsContact CB-CD1 3.46Å; C1118-L1155 HydrophobicContact CB-CG 3.87Å
1119K86.6Confident73.1Confident81 Ų8180.5 Ų80.535%0.35243%0.434SS..THydrogen-bonded Turntrans-133.3-27.7172.9-176.7161.6-177.3167.60114.6C1117 C1141 H1144 I1145 D1150 P1154C1117-K1119 PolarHBondContact O-N 3.1Å; K1119-C1141 HydrophobicContact CB-CB 4.1Å; K1119-H1144 PolarHBondContact NZ-O 2.8Å; K1119-I1145 HydrophobicContact CB-CD1 4.44Å; K1119-I1145 HydrophobicContact CD-CD1 3.6Å; K1119-I1145 HydrophobicContact CD-CG1 3.42Å; K1119-I1145 VanDerWaalsContact CD-CG1 3.42Å; K1119-I1145 VanDerWaalsContact NZ-CG1 3.35Å; K1119-D1150 IonicContact NZ-OD2 2.79Å; K1119-P1154 HydrophobicContact CB-CG 4.47Å
1120C91.8Very high76.1Confident67 Ų6772.7 Ų72.745%0.45340%0.402SS..THydrogen-bonded Turntrans-121.77.6174.675.30000114.5C1117 A1122 C1138 C1141C1117-C1120 PolarHBondContact SG-N 2.8Å; C1117-C1120 VanDerWaalsContact SG-N 3.41Å; C1117-C1120 PolarHBondContact SG-SG 2.98Å; C1120-A1122 PolarHBondContact O-N 2.93Å; C1120-C1138 VanDerWaalsContact SG-SG 3.62Å; C1120-C1141 PolarHBondContact SG-SG 3.14Å
1121S89.1Confident78.8Confident84 Ų8465.9 Ų65.959%0.58737%0.367SS*.  trans58.62.8176.7-55.60000117C1117 D1123C1117-S1121 VanDerWaalsContact O-CA 3.23Å; C1117-S1121 WeakPolarHBondContact O-CA 3.39Å; C1117-S1121 PolarHBondContact O-N 2.84Å; S1121-D1123 PolarHBondContact O-N 3.35Å
1122A86.2Confident81Confident38 Ų3864 Ų6431%0.31436%0.356SS..  trans-60.4131.7174.800000111.6R1116 C1117 C1120 P1124 A1125R1116-A1122 WeakPolarHBondContact CA-O 3.46Å; C1117-A1122 HydrophobicContact CB-CB 4.41Å; C1117-A1122 WeakPolarHBondContact CB-O 3.46Å; C1117-A1122 PolarHBondContact N-O 2.83Å; C1120-A1122 PolarHBondContact O-N 2.93Å; A1122-P1124 CarbonylContact O-C 3.5Å; A1122-A1125 PolarHBondContact O-N 3.28Å
1123D84.9Confident82.9Confident74 Ų7455.3 Ų55.340%0.39632%0.317SS..SBendtrans-139.4111.5-169.7-158.40.1000109.3R1116 S1121R1116-D1123 HydrophobicContact CB-CB 4.1Å; R1116-D1123 HydrophobicContact CG-CB 4.11Å; R1116-D1123 IonicContact CZ-OD2 2.79Å; R1116-D1123 VanDerWaalsContact CZ-OD2 3.25Å; R1116-D1123 PolarHBondContact N-OD1 2.94Å; R1116-D1123 IonicContact NE-OD2 3.84Å; R1116-D1123 PolarHBondContact NE-OD2 2.87Å; R1116-D1123 IonicContact NH2-OD2 3.25Å; R1116-D1123 PolarHBondContact NH2-OD2 2.98Å; S1121-D1123 PolarHBondContact O-N 3.35Å
1124P75.5Confident84.5Confident76 Ų7658.9 Ų58.949%0.49433%0.325SS..SBendcis-67.5152-6.531.3-36.5000112.5M1115 A1122 Q1126M1115-P1124 HydrophobicContact CB-CB 3.59Å; M1115-P1124 HydrophobicContact CG-CB 4.39Å; A1122-P1124 CarbonylContact O-C 3.5Å; P1124-Q1126 PolarHBondContact O-N 3.18Å
1125A82.5Confident85.6Confident4 Ų458.1 Ų58.13%0.03331%0.313CS..PPolyproline II helixtrans-61.7132.217700000112.5M1115 C1117 A1122 V1127 P1128 I1136M1115-A1125 WeakPolarHBondContact O-CB 3.23Å; M1115-A1125 PolarHBondContact O-N 3.1Å; C1117-A1125 HydrophobicContact CB-CB 3.79Å; A1122-A1125 PolarHBondContact O-N 3.28Å; A1125-V1127 PolarHBondContact O-N 2.76Å; A1125-P1128 HydrophobicContact CB-CB 4.12Å; A1125-P1128 WeakPolarHBondContact O-CD 3.4Å; A1125-I1136 HydrophobicContact CB-CG2 4.23Å
1126Q80.5Confident86.2Confident130 Ų13056.4 Ų56.461%0.60731%0.305SS*.SBendtrans-62.4116174.9-82.3-167.2-11.600111.6P1124 C1138 F1139P1124-Q1126 PolarHBondContact O-N 3.18Å; Q1126-C1138 HydrophobicContact CB-CB 4.48Å; Q1126-C1138 PolarHBondContact N-SG 3.24Å; Q1126-C1138 VanDerWaalsContact O-CA 3.26Å; Q1126-C1138 WeakPolarHBondContact O-CA 3.37Å; Q1126-C1138 VanDerWaalsContact O-CB 3.28Å; Q1126-C1138 WeakPolarHBondContact O-CB 3.22Å; Q1126-F1139 PolarHBondContact O-N 3.1Å
1127V83.7Confident86.4Confident72 Ų7249.8 Ų49.844%0.43628%0.28SS..SBendtrans51.477.1-167.1-172.50000108.6A1125 V1129 F1139 R1167A1125-V1127 PolarHBondContact O-N 2.76Å; V1127-V1129 PolarHBondContact O-N 3.04Å; V1127-F1139 HydrophobicContact CB-CB 3.88Å; V1127-F1139 HydrophobicContact CG1-CB 3.84Å; V1127-F1139 HydrophobicContact CG1-CG 4.5Å; V1127-F1139 PolarHBondContact O-N 3.5Å; V1127-R1167 HydrophobicContact CG1-CG 4.18Å
1128P85.2Confident86.4Confident8 Ų850 Ų505%0.05228%0.281CS..EExtended strand (participates in β ladder)trans-67.6127.8-17124.7-28.2000109.4M1115 A1125 I1136 L1168M1115-P1128 HydrophobicContact CE-CB 4.01Å; M1115-P1128 HydrophobicContact CE-CG 3.55Å; M1115-P1128 HydrophobicContact SD-CB 3.85Å; M1115-P1128 HydrophobicContact SD-CG 4.09Å; A1125-P1128 HydrophobicContact CB-CB 4.12Å; A1125-P1128 WeakPolarHBondContact O-CD 3.4Å; P1128-I1136 HydrophobicContact CB-CG2 4.09Å; P1128-L1168 HydrophobicContact CB-CB 4.34Å; P1128-L1168 HydrophobicContact CG-CB 4.14Å; P1128-L1168 PolarHBondContact O-N 2.97Å
1129V83.4Confident86.3Confident3 Ų352.9 Ų52.92%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-127.9121.6-177.2169.70000108.4V1127 I1136 A1137 F1139 W1142 L1165 S1166 R1167V1127-V1129 PolarHBondContact O-N 3.04Å; V1129-I1136 WeakPolarHBondContact O-CA 3.23Å; V1129-A1137 PolarHBondContact N-O 3.29Å; V1129-A1137 PolarHBondContact O-N 3.2Å; V1129-F1139 HydrophobicContact CG2-CB 3.98Å; V1129-F1139 HydrophobicContact CG2-CD2 4.14Å; V1129-W1142 VanDerWaalsContact CG1-CD1 3.4Å; V1129-W1142 HydrophobicContact CG1-CG 4.48Å; V1129-W1142 PolarHBondContact O-NE1 3.18Å; V1129-L1165 HydrophobicContact CG1-CB 3.78Å; V1129-L1165 HydrophobicContact CG1-CD2 4.35Å; V1129-L1165 HydrophobicContact CG1-CG 4.47Å; V1129-S1166 CarbonylContact C-O 3.55Å; V1129-S1166 VanDerWaalsContact CA-O 3.27Å; V1129-S1166 WeakPolarHBondContact CA-O 3.4Å; V1129-R1167 HydrophobicContact CG2-CB 4.45Å; V1129-R1167 HydrophobicContact CG2-CG 3.66Å
1130I90.9Very high86.4Confident42 Ų4256 Ų5622%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-88.3144.1174.1-165.8163.8000109.8K1134 I1136 L1165 S1166 L1168I1130-K1134 HydrophobicContact CD1-CB 4.32Å; I1130-K1134 WeakPolarHBondContact CD1-O 3.42Å; I1130-K1134 WeakPolarHBondContact CG1-O 3.39Å; I1130-I1136 HydrophobicContact CB-CG1 4.13Å; I1130-I1136 HydrophobicContact CD1-CG1 4.35Å; I1130-I1136 HydrophobicContact CG1-CG1 4.13Å; I1130-L1165 WeakPolarHBondContact O-CA 3.49Å; I1130-S1166 PolarHBondContact N-O 3.48Å; I1130-S1166 PolarHBondContact O-N 3.23Å; I1130-L1168 HydrophobicContact CB-CD1 4.24Å; I1130-L1168 HydrophobicContact CB-CD2 4.47Å; I1130-L1168 HydrophobicContact CB-CG 4.28Å; I1130-L1168 HydrophobicContact CG2-CD2 4.04Å; I1130-L1168 HydrophobicContact CG2-CG 4.21Å
1131S86.5Confident86.4Confident8 Ų853.6 Ų53.66%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-103166.9177.958.20000111.9C1133 K1134 H1135S1131-C1133 PolarHBondContact O-N 3.27Å; S1131-C1133 PolarHBondContact OG-SG 3.34Å; S1131-K1134 WeakPolarHBondContact O-CA 3.17Å; S1131-K1134 PolarHBondContact O-N 3.47Å; S1131-H1135 PolarHBondContact N-O 3.21Å; S1131-H1135 PolarHBondContact OG-O 3.07Å
1132C79.1Confident86.5Confident68 Ų6849.6 Ų49.646%0.45926%0.261SS..THydrogen-bonded Turntrans-56.8-13.8173.462.40000115.3D1164C1132-D1164 HydrophobicContact CB-CB 4.01Å; C1132-D1164 PolarHBondContact N-O 3.41Å; C1132-D1164 VanDerWaalsContact N-O 3.1Å
1133C88.4Confident86.3Confident22 Ų2253.8 Ų53.815%0.14927%0.268CS..THydrogen-bonded Turntrans-97.614.3171.671.20000113.9S1131 H1135 C1153 C1156 K1158S1131-C1133 PolarHBondContact O-N 3.27Å; S1131-C1133 PolarHBondContact OG-SG 3.34Å; C1133-H1135 PolarHBondContact O-N 2.85Å; C1133-H1135 VanDerWaalsContact O-N 3.07Å; C1133-H1135 PolarHBondContact SG-ND1 3.5Å; C1133-C1153 PolarHBondContact SG-SG 3.18Å; C1133-C1156 VanDerWaalsContact CB-SG 3.58Å; C1133-K1158 HydrophobicContact CB-CB 4.42Å; C1133-K1158 HydrophobicContact CB-CD 4.2Å
1134K89.2Confident86.3Confident172 Ų17254.7 Ų54.775%0.74827%0.27SS*.SBendtrans61.7-2-177.8-62.9-170.3177.7-175.30117.1I1130 S1131I1130-K1134 HydrophobicContact CD1-CB 4.32Å; I1130-K1134 WeakPolarHBondContact CD1-O 3.42Å; I1130-K1134 WeakPolarHBondContact CG1-O 3.39Å; S1131-K1134 WeakPolarHBondContact O-CA 3.17Å; S1131-K1134 PolarHBondContact O-N 3.47Å
1135H90.5Very high86.7Confident60 Ų6051.2 Ų51.228%0.27825%0.247SC..  trans-70.8142.9170.1-61.5116.4000111.8S1131 C1133 W1142 C1153 L1155S1131-H1135 PolarHBondContact N-O 3.21Å; S1131-H1135 PolarHBondContact OG-O 3.07Å; C1133-H1135 PolarHBondContact O-N 2.85Å; C1133-H1135 VanDerWaalsContact O-N 3.07Å; C1133-H1135 PolarHBondContact SG-ND1 3.5Å; H1135-W1142 HydrophobicContact CB-CH2 4.49Å; H1135-W1142 HydrophobicContact CB-CZ2 4.49Å; H1135-W1142 WeakPolarHBondContact O-CZ2 3.38Å; H1135-C1153 PolarHBondContact ND1-SG 3.27Å; H1135-L1155 HydrophobicContact CB-CD1 4.34Å; H1135-L1155 WeakPolarHBondContact CD2-CD1 3.43Å
1136I90.4Very high86.6Confident10 Ų1051.9 Ų51.95%0.05125%0.25CC..EExtended strand (participates in β ladder)trans-102.8138.5-179.6-64168.5000109.9V1113 M1115 C1118 A1125 P1128 V1129 I1130 L1168V1113-I1136 HydrophobicContact CG1-CD1 4.06Å; M1115-I1136 HydrophobicContact SD-CD1 4.28Å; C1118-I1136 WeakPolarHBondContact CB-O 3.2Å; C1118-I1136 PolarHBondContact N-O 2.88Å; C1118-I1136 PolarHBondContact SG-O 2.87Å; A1125-I1136 HydrophobicContact CB-CG2 4.23Å; P1128-I1136 HydrophobicContact CB-CG2 4.09Å; V1129-I1136 WeakPolarHBondContact O-CA 3.23Å; I1130-I1136 HydrophobicContact CB-CG1 4.13Å; I1130-I1136 HydrophobicContact CD1-CG1 4.35Å; I1130-I1136 HydrophobicContact CG1-CG1 4.13Å; I1136-L1168 HydrophobicContact CD1-CD1 3.59Å; I1136-L1168 HydrophobicContact CG1-CD1 3.96Å
1137A90.6Very high86.3Confident0 Ų049.6 Ų49.60%024%0.242CC..EExtended strand (participates in β ladder)trans-142163.8167.200000111.1V1129 C1141 W1142V1129-A1137 PolarHBondContact N-O 3.29Å; V1129-A1137 PolarHBondContact O-N 3.2Å; A1137-C1141 HydrophobicContact CB-CB 4.05Å; A1137-W1142 HydrophobicContact CB-CD2 3.84Å; A1137-W1142 HydrophobicContact CB-CG 4.05Å; A1137-W1142 HydrophobicContact CB-CH2 4.45Å; A1137-W1142 HydrophobicContact CB-CZ2 3.74Å
1138C92Very high85.9Confident6 Ų653.2 Ų53.24%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-59.1145.1168.2-55.10000109.3C1117 C1120 Q1126 K1140 C1141 W1142C1117-C1138 VanDerWaalsContact CB-SG 3.59Å; C1117-C1138 PolarHBondContact SG-N 3.44Å; C1120-C1138 VanDerWaalsContact SG-SG 3.62Å; Q1126-C1138 HydrophobicContact CB-CB 4.48Å; Q1126-C1138 PolarHBondContact N-SG 3.24Å; Q1126-C1138 VanDerWaalsContact O-CA 3.26Å; Q1126-C1138 WeakPolarHBondContact O-CA 3.37Å; Q1126-C1138 VanDerWaalsContact O-CB 3.28Å; Q1126-C1138 WeakPolarHBondContact O-CB 3.22Å; C1138-K1140 PolarHBondContact O-N 3.35Å; C1138-C1141 HydrophobicContact CB-CB 4.09Å; C1138-C1141 WeakPolarHBondContact O-CA 3.28Å; C1138-C1141 WeakPolarHBondContact O-CB 3.26Å; C1138-C1141 PolarHBondContact O-N 3.45Å; C1138-W1142 PolarHBondContact O-N 2.82Å; C1138-W1142 VanDerWaalsContact O-N 3.14Å
1139F85.1Confident84.8Confident85 Ų8555.1 Ų55.137%0.37327%0.273SS..Hα-helixtrans-51.9-41.2174.2178.2-109.7000112.6Q1126 V1127 V1129 C1141 R1143Q1126-F1139 PolarHBondContact O-N 3.1Å; V1127-F1139 HydrophobicContact CB-CB 3.88Å; V1127-F1139 HydrophobicContact CG1-CB 3.84Å; V1127-F1139 HydrophobicContact CG1-CG 4.5Å; V1127-F1139 PolarHBondContact O-N 3.5Å; V1129-F1139 HydrophobicContact CG2-CB 3.98Å; V1129-F1139 HydrophobicContact CG2-CD2 4.14Å; F1139-C1141 VanDerWaalsContact C-N 3.3Å; F1139-C1141 PolarHBondContact O-N 3.09Å; F1139-R1143 WeakPolarHBondContact O-CB 3.47Å; F1139-R1143 PolarHBondContact O-N 3.27Å; F1139-R1143 VanDerWaalsContact O-N 3.1Å
1140K88.3Confident84.3Confident147 Ų14759.5 Ų59.564%0.63930%0.296SS*.Hα-helixtrans-59.9-35.7173.5-67.6178.5179.2171.30112.9C1138 H1144C1138-K1140 PolarHBondContact O-N 3.35Å; K1140-H1144 WeakPolarHBondContact O-CB 3.42Å; K1140-H1144 PolarHBondContact O-N 2.76Å
1141C92.1Very high83.9Confident16 Ų1661.3 Ų61.311%0.10830%0.304CS..Hα-helixtrans-75.7-43.1-176.9-72.30000112.9K1119 C1120 A1137 C1138 F1139 R1143 H1144 I1145K1119-C1141 HydrophobicContact CB-CB 4.1Å; C1120-C1141 PolarHBondContact SG-SG 3.14Å; A1137-C1141 HydrophobicContact CB-CB 4.05Å; C1138-C1141 HydrophobicContact CB-CB 4.09Å; C1138-C1141 WeakPolarHBondContact O-CA 3.28Å; C1138-C1141 WeakPolarHBondContact O-CB 3.26Å; C1138-C1141 PolarHBondContact O-N 3.45Å; F1139-C1141 VanDerWaalsContact C-N 3.3Å; F1139-C1141 PolarHBondContact O-N 3.09Å; C1141-R1143 VanDerWaalsContact C-N 3.32Å; C1141-H1144 CarbonylContact O-C 3.56Å; C1141-H1144 PolarHBondContact O-N 2.91Å; C1141-I1145 WeakPolarHBondContact O-CG1 3.48Å; C1141-I1145 PolarHBondContact O-N 3.28Å; C1141-I1145 VanDerWaalsContact O-N 3.17Å
1142W90.7Very high83.9Confident1 Ų164.5 Ų64.50%0.00432%0.318CS..Hα-helixtrans-63.3-40.6171.2-72.7128.2000111.6C1118 V1129 H1135 A1137 C1138 H1144 I1145 I1146 L1160 L1165C1118-W1142 WeakPolarHBondContact SG-CH2 3.35Å; V1129-W1142 VanDerWaalsContact CG1-CD1 3.4Å; V1129-W1142 HydrophobicContact CG1-CG 4.48Å; V1129-W1142 PolarHBondContact O-NE1 3.18Å; H1135-W1142 HydrophobicContact CB-CH2 4.49Å; H1135-W1142 HydrophobicContact CB-CZ2 4.49Å; H1135-W1142 WeakPolarHBondContact O-CZ2 3.38Å; A1137-W1142 HydrophobicContact CB-CD2 3.84Å; A1137-W1142 HydrophobicContact CB-CG 4.05Å; A1137-W1142 HydrophobicContact CB-CH2 4.45Å; A1137-W1142 HydrophobicContact CB-CZ2 3.74Å; C1138-W1142 PolarHBondContact O-N 2.82Å; C1138-W1142 VanDerWaalsContact O-N 3.14Å; W1142-H1144 VanDerWaalsContact C-N 3.27Å; W1142-H1144 PolarHBondContact O-N 3.38Å; W1142-I1145 HydrophobicContact CD2-CD1 4.38Å; W1142-I1145 HydrophobicContact CE3-CD1 3.36Å; W1142-I1145 HydrophobicContact CZ3-CD1 3.51Å; W1142-I1145 WeakPolarHBondContact O-CB 3.42Å; W1142-I1145 PolarHBondContact O-N 3.17Å; W1142-I1146 PolarHBondContact O-N 3.17Å; W1142-L1160 HydrophobicContact CE3-CD1 3.54Å; W1142-L1160 HydrophobicContact CH2-CD1 4.04Å; W1142-L1160 HydrophobicContact CZ3-CD1 3.19Å; W1142-L1165 HydrophobicContact CB-CD1 3.66Å; W1142-L1165 HydrophobicContact CD2-CD2 4.01Å; W1142-L1165 HydrophobicContact CG-CD1 3.97Å; W1142-L1165 HydrophobicContact CG-CD2 3.95Å
1143R81.8Confident84.4Confident125 Ų12561.3 Ų61.347%0.47230%0.296SS..Hα-helixtrans-57.2-41.8173.1-169173.6-179.7175.8-0111.4F1139 C1141 I1145 I1146 D1147F1139-R1143 WeakPolarHBondContact O-CB 3.47Å; F1139-R1143 PolarHBondContact O-N 3.27Å; F1139-R1143 VanDerWaalsContact O-N 3.1Å; C1141-R1143 VanDerWaalsContact C-N 3.32Å; R1143-I1145 PolarHBondContact O-N 2.99Å; R1143-I1146 PolarHBondContact O-N 3.22Å; R1143-D1147 HydrophobicContact CG-CB 4.43Å; R1143-D1147 WeakPolarHBondContact CG-OD2 3.28Å; R1143-D1147 IonicContact CZ-OD2 3.5Å; R1143-D1147 IonicContact NE-OD2 3.58Å; R1143-D1147 PolarHBondContact NE-OD2 3.34Å; R1143-D1147 IonicContact NH2-OD2 2.81Å; R1143-D1147 PolarHBondContact NH2-OD2 3.48Å; R1143-D1147 VanDerWaalsContact O-CB 3.26Å; R1143-D1147 WeakPolarHBondContact O-CB 3.48Å; R1143-D1147 PolarHBondContact O-N 3.34Å
1144H85.7Confident84.1Confident94 Ų9462.9 Ų62.944%0.43531%0.306SS..Hα-helixtrans-77.76.2174.5-156.885.6000115.2K1119 K1140 C1141 W1142 K1148K1119-H1144 PolarHBondContact NZ-O 2.8Å; K1140-H1144 WeakPolarHBondContact O-CB 3.42Å; K1140-H1144 PolarHBondContact O-N 2.76Å; C1141-H1144 CarbonylContact O-C 3.56Å; C1141-H1144 PolarHBondContact O-N 2.91Å; W1142-H1144 VanDerWaalsContact C-N 3.27Å; W1142-H1144 PolarHBondContact O-N 3.38Å; H1144-K1148 PolarHBondContact NE2-NZ 2.96Å
1145I84.7Confident84Confident2 Ų260 Ų601%0.0130%0.298CS..Hα-helixtrans-101.8-42.4166.2-69.2159000109.1K1119 C1141 W1142 R1143 D1150 H1151 Q1152 P1154 L1160K1119-I1145 HydrophobicContact CB-CD1 4.44Å; K1119-I1145 HydrophobicContact CD-CD1 3.6Å; K1119-I1145 HydrophobicContact CD-CG1 3.42Å; K1119-I1145 VanDerWaalsContact CD-CG1 3.42Å; K1119-I1145 VanDerWaalsContact NZ-CG1 3.35Å; C1141-I1145 WeakPolarHBondContact O-CG1 3.48Å; C1141-I1145 PolarHBondContact O-N 3.28Å; C1141-I1145 VanDerWaalsContact O-N 3.17Å; W1142-I1145 HydrophobicContact CD2-CD1 4.38Å; W1142-I1145 HydrophobicContact CE3-CD1 3.36Å; W1142-I1145 HydrophobicContact CZ3-CD1 3.51Å; W1142-I1145 WeakPolarHBondContact O-CB 3.42Å; W1142-I1145 PolarHBondContact O-N 3.17Å; R1143-I1145 PolarHBondContact O-N 2.99Å; I1145-D1150 HydrophobicContact CG2-CB 4.11Å; I1145-D1150 PolarHBondContact O-N 3.36Å; I1145-H1151 PolarHBondContact O-N 2.84Å; I1145-Q1152 VanDerWaalsContact CG2-O 3.28Å; I1145-Q1152 WeakPolarHBondContact CG2-O 3.35Å; I1145-P1154 HydrophobicContact CD1-CG 4.13Å; I1145-L1160 HydrophobicContact CG2-CD1 4.44Å
1146I80.3Confident83.9Confident18 Ų1859.9 Ų59.99%0.09230%0.303CS..Hα-helixtrans-80-52.2-175.8-63.8177.9000111.3W1142 R1143 K1148 G1149 R1162 L1165W1142-I1146 PolarHBondContact O-N 3.17Å; R1143-I1146 PolarHBondContact O-N 3.22Å; I1146-K1148 PolarHBondContact O-N 2.99Å; I1146-G1149 PolarHBondContact O-N 2.99Å; I1146-G1149 VanDerWaalsContact O-N 3.11Å; I1146-R1162 HydrophobicContact CD1-CB 4.24Å; I1146-R1162 HydrophobicContact CG2-CB 4.49Å; I1146-L1165 HydrophobicContact CD1-CD1 3.71Å
1147D73.1Confident83.8Confident82 Ų8267.5 Ų67.544%0.43933%0.332SS..THydrogen-bonded Turntrans-69-2.6-176.4-64.911.9000113.1R1143 R1162R1143-D1147 HydrophobicContact CG-CB 4.43Å; R1143-D1147 WeakPolarHBondContact CG-OD2 3.28Å; R1143-D1147 IonicContact CZ-OD2 3.5Å; R1143-D1147 IonicContact NE-OD2 3.58Å; R1143-D1147 PolarHBondContact NE-OD2 3.34Å; R1143-D1147 IonicContact NH2-OD2 2.81Å; R1143-D1147 PolarHBondContact NH2-OD2 3.48Å; R1143-D1147 VanDerWaalsContact O-CB 3.26Å; R1143-D1147 WeakPolarHBondContact O-CB 3.48Å; R1143-D1147 PolarHBondContact O-N 3.34Å; D1147-R1162 IonicContact OD1-NH1 3.14Å
1148K76.3Confident83.4Confident148 Ų14873.7 Ų73.764%0.64336%0.358SS*.THydrogen-bonded Turntrans-112.62.2175.3-95.5-162.3173.6-176.20115H1144 I1146H1144-K1148 PolarHBondContact NE2-NZ 2.96Å; I1146-K1148 PolarHBondContact O-N 2.99Å
1149G61Low82.9Confident49 Ų4977.9 Ų77.951%0.50538%0.38SS..THydrogen-bonded Turntrans86.6-3.3172.300000116.9I1146 H1151I1146-G1149 PolarHBondContact O-N 2.99Å; I1146-G1149 VanDerWaalsContact O-N 3.11Å; G1149-H1151 VanDerWaalsContact C-N 3.25Å; G1149-H1151 PolarHBondContact O-CD2 3.39Å; G1149-H1151 PolarHBondContact O-N 3.11Å
1150D74.1Confident82.4Confident95 Ų9573.9 Ų73.951%0.50836%0.362SS..  trans-59.9-38175-78.4-40000111.6K1119 I1145 Q1152K1119-D1150 IonicContact NZ-OD2 2.79Å; I1145-D1150 HydrophobicContact CG2-CB 4.11Å; I1145-D1150 PolarHBondContact O-N 3.36Å; D1150-Q1152 WeakPolarHBondContact O-CG 3.42Å; D1150-Q1152 PolarHBondContact O-N 3.33Å
1151H81Confident81.9Confident79 Ų7972.4 Ų72.437%0.36635%0.353SS..  trans47.914.2-179.9-72.3-70.5000116.9I1145 G1149 L1159 L1160I1145-H1151 PolarHBondContact O-N 2.84Å; G1149-H1151 VanDerWaalsContact C-N 3.25Å; G1149-H1151 PolarHBondContact O-CD2 3.39Å; G1149-H1151 PolarHBondContact O-N 3.11Å; H1151-L1159 HydrophobicContact CB-CD1 4.05Å; H1151-L1159 CarbonylContact O-C 3.48Å; H1151-L1159 WeakPolarHBondContact O-CA 3.38Å; H1151-L1159 WeakPolarHBondContact O-CD1 3.48Å; H1151-L1160 PolarHBondContact O-N 2.81Å
1152Q87.5Confident81Confident76 Ų7678.1 Ų78.136%0.35537%0.372SS..BIsolated β-bridgetrans-126.3146.6-174.7-70.6-1795.600111.7I1145 D1150 R1157I1145-Q1152 VanDerWaalsContact CG2-O 3.28Å; I1145-Q1152 WeakPolarHBondContact CG2-O 3.35Å; D1150-Q1152 WeakPolarHBondContact O-CG 3.42Å; D1150-Q1152 PolarHBondContact O-N 3.33Å; Q1152-R1157 WeakPolarHBondContact CB-O 3.49Å; Q1152-R1157 VanDerWaalsContact CG-O 3.3Å; Q1152-R1157 WeakPolarHBondContact CG-O 3.42Å; Q1152-R1157 VanDerWaalsContact OE1-CD 3.3Å
1153C88.7Confident80.1Confident1 Ų182.2 Ų82.21%0.00739%0.388CS..  trans-63.3129.7171.9-1780000110.9C1133 H1135 L1155 C1156 R1157 K1158 L1160C1133-C1153 PolarHBondContact SG-SG 3.18Å; H1135-C1153 PolarHBondContact ND1-SG 3.27Å; C1153-L1155 PolarHBondContact O-N 3.43Å; C1153-C1156 VanDerWaalsContact SG-SG 3.66Å; C1153-R1157 WeakPolarHBondContact O-CA 3.46Å; C1153-R1157 PolarHBondContact O-N 2.81Å; C1153-K1158 PolarHBondContact N-O 3.47Å; C1153-L1160 HydrophobicContact CB-CD1 4.05Å; C1153-L1160 HydrophobicContact CB-CG 4.4Å
1154P83.9Confident79.7Confident54 Ų5478 Ų7835%0.35137%0.374SS..THydrogen-bonded Turntrans-65.4-23.7-179.626.7-35.6000113.3C1118 K1119 I1145C1118-P1154 VanDerWaalsContact O-CG 3.27Å; C1118-P1154 WeakPolarHBondContact O-CG 3.26Å; K1119-P1154 HydrophobicContact CB-CG 4.47Å; I1145-P1154 HydrophobicContact CD1-CG 4.13Å
1155L85.6Confident79.4Confident111 Ų11175.2 Ų75.258%0.58136%0.362SS*.THydrogen-bonded Turntrans-89.3-42.3178.9-67.5179.4000113.8C1118 H1135 C1153C1118-L1155 HydrophobicContact CB-CD1 3.46Å; C1118-L1155 VanDerWaalsContact CB-CD1 3.46Å; C1118-L1155 HydrophobicContact CB-CG 3.87Å; H1135-L1155 HydrophobicContact CB-CD1 4.34Å; H1135-L1155 WeakPolarHBondContact CD2-CD1 3.43Å; C1153-L1155 PolarHBondContact O-N 3.43Å
1156C89.8Confident79.2Confident58 Ų5878.6 Ų78.639%0.39239%0.387SS..THydrogen-bonded Turntrans-125.39.4-172.368.50000115.3C1133 C1153 K1158C1133-C1156 VanDerWaalsContact CB-SG 3.58Å; C1153-C1156 VanDerWaalsContact SG-SG 3.66Å; C1156-K1158 PolarHBondContact O-N 2.79Å
1157R87.2Confident79.2Confident171 Ų17184.9 Ų84.965%0.64541%0.409SS*.  trans56.3-1.1176.8-60.7-66.6-177.3157.8-1.3117.2Q1152 C1153Q1152-R1157 WeakPolarHBondContact CB-O 3.49Å; Q1152-R1157 VanDerWaalsContact CG-O 3.3Å; Q1152-R1157 WeakPolarHBondContact CG-O 3.42Å; Q1152-R1157 VanDerWaalsContact OE1-CD 3.3Å; C1153-R1157 WeakPolarHBondContact O-CA 3.46Å; C1153-R1157 PolarHBondContact O-N 2.81Å
1158K82Confident79Confident129 Ų12983.9 Ų83.956%0.56140%0.403SS*.  trans-59.1137.6176.2-156.2172-169.4177.20110.6C1133 C1153 C1156C1133-K1158 HydrophobicContact CB-CB 4.42Å; C1133-K1158 HydrophobicContact CB-CD 4.2Å; C1153-K1158 PolarHBondContact N-O 3.47Å; C1156-K1158 PolarHBondContact O-N 2.79Å
1159L82.5Confident78Confident95 Ų9584.1 Ų84.150%0.49741%0.41SS..BIsolated β-bridgetrans-61.7140.8-178-163.979000111.4H1151H1151-L1159 HydrophobicContact CB-CD1 4.05Å; H1151-L1159 CarbonylContact O-C 3.48Å; H1151-L1159 WeakPolarHBondContact O-CA 3.38Å; H1151-L1159 WeakPolarHBondContact O-CD1 3.48Å
1160L75.2Confident77.5Confident0 Ų087.2 Ų87.20%041%0.411CS..  trans-126.4123.6-175.9-65.6175.7000111.2W1142 I1145 H1151 C1153W1142-L1160 HydrophobicContact CE3-CD1 3.54Å; W1142-L1160 HydrophobicContact CH2-CD1 4.04Å; W1142-L1160 HydrophobicContact CZ3-CD1 3.19Å; I1145-L1160 HydrophobicContact CG2-CD1 4.44Å; H1151-L1160 PolarHBondContact O-N 2.81Å; C1153-L1160 HydrophobicContact CB-CD1 4.05Å; C1153-L1160 HydrophobicContact CB-CG 4.4Å
1161R75.9Confident75.8Confident117 Ų11790.9 Ų90.944%0.44242%0.423SS..  trans-110.5148.5172.5-45.9170.9-175.9-144.42108.5R1163 D1164R1161-R1163 HydrophobicContact CB-CG 4.25Å; R1161-R1163 VanDerWaalsContact CD-NH2 3.31Å; R1161-R1163 VanDerWaalsContact NH1-NH1 3.11Å; R1161-R1163 PolarHBondContact O-N 3.39Å; R1161-R1163 VanDerWaalsContact O-N 3.12Å; R1161-D1164 VanDerWaalsContact CB-OD2 3.23Å; R1161-D1164 WeakPolarHBondContact CB-OD2 3.21Å; R1161-D1164 WeakPolarHBondContact CG-OD2 3.3Å; R1161-D1164 PolarHBondContact N-OD2 2.79Å; R1161-D1164 WeakPolarHBondContact O-CB 3.27Å; R1161-D1164 PolarHBondContact O-N 3.43Å
1162R75.1Confident73.7Confident136 Ų13695.9 Ų95.951%0.51344%0.444SS..G310 helixtrans-61.3-26.6-171.8-176.4164.1161.7169.9-18.2114I1146 D1147 D1164I1146-R1162 HydrophobicContact CD1-CB 4.24Å; I1146-R1162 HydrophobicContact CG2-CB 4.49Å; D1147-R1162 IonicContact OD1-NH1 3.14Å; R1162-D1164 VanDerWaalsContact C-N 3.35Å
1163R71.1Confident71.1Confident87 Ų8799.7 Ų99.733%0.32847%0.466SS..G310 helixtrans-72.4-20.8173.677.7-155.9-176.1-178.320.9114.1T1089 S1090 N1091 R1161 L1165T1089-R1163 VanDerWaalsContact O-CD 3.23Å; T1089-R1163 WeakPolarHBondContact O-CD 3.23Å; T1089-R1163 PolarHBondContact O-NH1 2.87Å; S1090-R1163 VanDerWaalsContact C-NH1 3.26Å; S1090-R1163 PolarHBondContact O-NH1 2.85Å; S1090-R1163 PolarHBondContact O-NH2 2.78Å; S1090-R1163 PolarHBondContact OG-NH1 2.88Å; N1091-R1163 PolarHBondContact O-NE 2.98Å; N1091-R1163 PolarHBondContact O-NH2 3.24Å; R1161-R1163 HydrophobicContact CB-CG 4.25Å; R1161-R1163 VanDerWaalsContact CD-NH2 3.31Å; R1161-R1163 VanDerWaalsContact NH1-NH1 3.11Å; R1161-R1163 PolarHBondContact O-N 3.39Å; R1161-R1163 VanDerWaalsContact O-N 3.12Å; R1163-L1165 PolarHBondContact O-N 2.84Å
1164D73.6Confident68.5Low36 Ų36104.4 Ų104.419%0.19350%0.495CS..G310 helixtrans-91.619.3-173.7-48.7-26.5000111.9C1132 R1161 R1162C1132-D1164 HydrophobicContact CB-CB 4.01Å; C1132-D1164 PolarHBondContact N-O 3.41Å; C1132-D1164 VanDerWaalsContact N-O 3.1Å; R1161-D1164 VanDerWaalsContact CB-OD2 3.23Å; R1161-D1164 WeakPolarHBondContact CB-OD2 3.21Å; R1161-D1164 WeakPolarHBondContact CG-OD2 3.3Å; R1161-D1164 PolarHBondContact N-OD2 2.79Å; R1161-D1164 WeakPolarHBondContact O-CB 3.27Å; R1161-D1164 PolarHBondContact O-N 3.43Å; R1162-D1164 VanDerWaalsContact C-N 3.35Å
1165L79Confident66.1Low35 Ų35110.9 Ų110.918%0.18352%0.521CS..EExtended strand (participates in β ladder)trans-120.6125-174.9-65-178.7000110.4V1129 I1130 W1142 I1146 R1163V1129-L1165 HydrophobicContact CG1-CB 3.78Å; V1129-L1165 HydrophobicContact CG1-CD2 4.35Å; V1129-L1165 HydrophobicContact CG1-CG 4.47Å; I1130-L1165 WeakPolarHBondContact O-CA 3.49Å; W1142-L1165 HydrophobicContact CB-CD1 3.66Å; W1142-L1165 HydrophobicContact CD2-CD2 4.01Å; W1142-L1165 HydrophobicContact CG-CD1 3.97Å; W1142-L1165 HydrophobicContact CG-CD2 3.95Å; I1146-L1165 HydrophobicContact CD1-CD1 3.71Å; R1163-L1165 PolarHBondContact O-N 2.84Å
1166S80.7Confident63.7Low74 Ų74114.3 Ų114.352%0.51753%0.534SS..EExtended strand (participates in β ladder)trans-117.9132.9-178.1-520000111.4V1129 I1130V1129-S1166 CarbonylContact C-O 3.55Å; V1129-S1166 VanDerWaalsContact CA-O 3.27Å; V1129-S1166 WeakPolarHBondContact CA-O 3.4Å; I1130-S1166 PolarHBondContact N-O 3.48Å; I1130-S1166 PolarHBondContact O-N 3.23Å
1167R79.9Confident60.7Low150 Ų150119.5 Ų119.557%0.56656%0.558SS**EExtended strand (participates in β ladder)trans-72131.8172.1-78.7-179.8178.3-171.90.3110.3V1127 V1129V1127-R1167 HydrophobicContact CG1-CG 4.18Å; V1129-R1167 HydrophobicContact CG2-CB 4.45Å; V1129-R1167 HydrophobicContact CG2-CG 3.66Å
1168L68.8Low58.1Low61 Ų61122.1 Ų122.132%0.31958%0.583SS.*  trans-85.4112.3165.6-64.3173.7000107.6M1115 P1128 I1130 I1136M1115-L1168 HydrophobicContact CE-CB 4.47Å; M1115-L1168 HydrophobicContact SD-CD1 3.82Å; P1128-L1168 HydrophobicContact CB-CB 4.34Å; P1128-L1168 HydrophobicContact CG-CB 4.14Å; P1128-L1168 PolarHBondContact O-N 2.97Å; I1130-L1168 HydrophobicContact CB-CD1 4.24Å; I1130-L1168 HydrophobicContact CB-CD2 4.47Å; I1130-L1168 HydrophobicContact CB-CG 4.28Å; I1130-L1168 HydrophobicContact CG2-CD2 4.04Å; I1130-L1168 HydrophobicContact CG2-CG 4.21Å; I1136-L1168 HydrophobicContact CD1-CD1 3.59Å; I1136-L1168 HydrophobicContact CG1-CD1 3.96Å
1169I56.5Low56.9Low153 Ų153121.8 Ų121.879%0.78558%0.584SS**  trans-80.8125.1179.8-59.4175.3000108.5
1170Q49.5Very low55.5Low113 Ų113123.2 Ų123.253%0.52859%0.589SS.*  trans-76.9134.2170.4-74-175.5-21.300109.7M1115 K1172M1115-Q1170 HydrophobicContact CE-CG 4.26Å; Q1170-K1172 VanDerWaalsContact C-N 3.28Å; Q1170-K1172 PolarHBondContact O-N 3.47Å
1171K38.9Very low54.4Low172 Ų172130 Ų13075%0.74862%0.622SS**THydrogen-bonded Turntrans-83.357-163.1-162.4-171.1-179.3-171.80112.9
1172K37.6Very low53.1Low185 Ų185130.8 Ų130.880%0.80463%0.632SS**THydrogen-bonded Turntrans-129.1-17-173.8-110.6-170174.1-169.30117.8Q1170Q1170-K1172 VanDerWaalsContact C-N 3.28Å; Q1170-K1172 PolarHBondContact O-N 3.47Å
1173D32.3Very low51.8Low155 Ų155130.4 Ų130.483%0.82964%0.64SS**SBendtrans-111.737-168.5-53.3-34.2000113.2
1174T34Very low50.5Low100 Ų100133.3 Ų133.361%0.61366%0.66SS**  trans-134.112.3-169.9-17.70000115.8
1175E34.1Very low48.8Very low191 Ų191140.3 Ų140.389%0.89369%0.694SS**SBendtrans-112.120.5-176.7-65.3-175.7156.500114
1176Q34Very low46.5Very low182 Ų182148.4 Ų148.485%0.8573%0.733SS**SBendtrans-128.35.6-176.7-79.1-167.4-21.900116.4
1177N27.6Very low43.7Very low167 Ų167154.6 Ų154.689%0.89375%0.751SS**  trans-148.660.5173.3-80.6-73.9000110.9
1178L31Very low40.4Very low226 Ų226155 Ų155100%1.18377%0.768SS**  trans-145.30171.5-108.7170.7000109.3

Retrieved 1,178 of 1,178 residues in 296.9 ms (Link to these results)

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