RWDD1_RAT Loading...

RWD domain-containing protein 1

Protects DRG2 from proteolytic degradation (By similarity). May function as a coactivator of the AR/androgen receptor transcription factor during development (By similarity).

AlphaFold DB , UniProt , Accession Q99ND9, Species RAT (Rattus norvegicus, Rat), Gene Rwdd1, Length 243 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
1M63.8Low89Confident242 Ų24284.5 Ų84.5100%1.19242%0.42SS*.  0108.80-165167.4-165.600103.8D3M1-D3 PolarHBondContact O-N 3.18Å
2T79.1Confident89.5Confident63 Ų6380.8 Ų80.839%0.38740%0.402SS..  trans-68.6125.7179.7-47.10000107.3Y4 E7T2-Y4 HydrophobicContact CG2-CD1 3.78Å; T2-Y4 HydrophobicContact CG2-CE1 3.59Å; T2-Y4 PolarHBondContact O-N 3.43Å; T2-E7 VanDerWaalsContact CG2-OE1 3.26Å; T2-E7 WeakPolarHBondContact CG2-OE1 3.4Å
3D89.2Confident89.9Confident94 Ų9485.2 Ų85.250%0.50342%0.421SS..  trans-88.983.4177.7-166.4-23.8000108.8M1 G5 E6 E7M1-D3 PolarHBondContact O-N 3.18Å; D3-G5 PolarHBondContact O-N 3.46Å; D3-G5 PolarHBondContact OD1-N 3.08Å; D3-E6 HydrophobicContact CB-CB 4.06Å; D3-E6 PolarHBondContact O-N 3.1Å; D3-E6 VanDerWaalsContact O-N 3.1Å; D3-E6 PolarHBondContact OD1-N 2.85Å; D3-E6 VanDerWaalsContact OD1-N 3.16Å; D3-E7 PolarHBondContact O-N 3.06Å; D3-E7 VanDerWaalsContact O-N 3.15Å
4Y92.5Very high90.4Very high65 Ų6582.4 Ų82.426%0.25542%0.419SS..Hα-helixtrans-55.6-34.1-179.8-55.9-50.3000112.2T2 E7 Q8 Y60 D62T2-Y4 HydrophobicContact CG2-CD1 3.78Å; T2-Y4 HydrophobicContact CG2-CE1 3.59Å; T2-Y4 PolarHBondContact O-N 3.43Å; Y4-E7 PolarHBondContact O-N 3.4Å; Y4-Q8 WeakPolarHBondContact O-CB 3.45Å; Y4-Q8 WeakPolarHBondContact O-CG 3.11Å; Y4-Q8 PolarHBondContact O-N 3.48Å; Y4-Y60 WeakPolarHBondContact CB-O 3.41Å; Y4-D62 HydrophobicContact CE1-CB 4.19Å; Y4-D62 VanDerWaalsContact CE1-OD2 3.27Å; Y4-D62 WeakPolarHBondContact CE1-OD2 3.48Å; Y4-D62 PolarHBondContact OH-OD2 2.95Å
5G91.3Very high90.8Very high34 Ų3477.1 Ų77.135%0.35139%0.391SS..Hα-helixtrans-72.7-29-179.800000113.4D3 R9D3-G5 PolarHBondContact O-N 3.46Å; D3-G5 PolarHBondContact OD1-N 3.08Å; G5-R9 VanDerWaalsContact O-CG 3.26Å; G5-R9 WeakPolarHBondContact O-CG 3.43Å; G5-R9 PolarHBondContact O-N 2.9Å; G5-R9 PolarHBondContact O-NE 3.39Å; G5-R9 VanDerWaalsContact O-NE 3.15Å
6E92.8Very high91Very high94 Ų9479.8 Ų79.844%0.43940%0.402SS..Hα-helixtrans-72.4-45.5170.5-171.7175.7178.200111.4D3 Q8 R9 N10D3-E6 HydrophobicContact CB-CB 4.06Å; D3-E6 PolarHBondContact O-N 3.1Å; D3-E6 VanDerWaalsContact O-N 3.1Å; D3-E6 PolarHBondContact OD1-N 2.85Å; D3-E6 VanDerWaalsContact OD1-N 3.16Å; E6-Q8 PolarHBondContact O-N 2.78Å; E6-R9 PolarHBondContact O-N 3.27Å; E6-N10 WeakPolarHBondContact O-CB 2.96Å; E6-N10 PolarHBondContact O-N 3.15Å; E6-N10 PolarHBondContact O-ND2 3.18Å
7E92.9Very high91.3Very high66 Ų6681.1 Ų81.131%0.30842%0.42SS..Hα-helixtrans-61.7-44.2178.9-68.6-170.9-150.700112.5T2 D3 Y4 R9 N10 E11 P61 V98T2-E7 VanDerWaalsContact CG2-OE1 3.26Å; T2-E7 WeakPolarHBondContact CG2-OE1 3.4Å; D3-E7 PolarHBondContact O-N 3.06Å; D3-E7 VanDerWaalsContact O-N 3.15Å; Y4-E7 PolarHBondContact O-N 3.4Å; E7-R9 PolarHBondContact O-N 3.1Å; E7-N10 PolarHBondContact O-N 3.31Å; E7-E11 PolarHBondContact O-N 3.46Å; E7-P61 WeakPolarHBondContact OE2-CD 3.46Å; E7-P61 WeakPolarHBondContact OE2-CG 3.37Å; E7-V98 HydrophobicContact CB-CG1 4.4Å
8Q94Very high91.6Very high22 Ų2281.2 Ų81.210%0.10342%0.42CS..Hα-helixtrans-60.6-41.9176.2-73.4167.624.300112.5Y4 E6 L12 Y56 S57 Y60Y4-Q8 WeakPolarHBondContact O-CB 3.45Å; Y4-Q8 WeakPolarHBondContact O-CG 3.11Å; Y4-Q8 PolarHBondContact O-N 3.48Å; E6-Q8 PolarHBondContact O-N 2.78Å; Q8-L12 WeakPolarHBondContact O-CB 3.1Å; Q8-L12 VanDerWaalsContact O-CG 3.29Å; Q8-L12 WeakPolarHBondContact O-CG 3.48Å; Q8-L12 PolarHBondContact O-N 3.15Å; Q8-Y56 HydrophobicContact CB-CD2 3.78Å; Q8-Y56 HydrophobicContact CB-CE2 3.79Å; Q8-Y56 HydrophobicContact CG-CD2 3.64Å; Q8-Y56 HydrophobicContact CG-CE2 3.98Å; Q8-Y56 HydrophobicContact CG-CG 4.03Å; Q8-S57 PolarHBondContact NE2-O 2.99Å; Q8-Y60 HydrophobicContact CG-CD1 3.86Å; Q8-Y60 PolarHBondContact NE2-O 3.42Å
9R93.6Very high91.7Very high153 Ų15379.3 Ų79.358%0.57741%0.408SS*.Hα-helixtrans-68.5-42.5178.2-74.7-177.1-56.5117.10.9111.9G5 E6 E7 E11 L12 E13G5-R9 VanDerWaalsContact O-CG 3.26Å; G5-R9 WeakPolarHBondContact O-CG 3.43Å; G5-R9 PolarHBondContact O-N 2.9Å; G5-R9 PolarHBondContact O-NE 3.39Å; G5-R9 VanDerWaalsContact O-NE 3.15Å; E6-R9 PolarHBondContact O-N 3.27Å; E7-R9 PolarHBondContact O-N 3.1Å; R9-E11 VanDerWaalsContact C-N 3.35Å; R9-L12 PolarHBondContact O-N 3.18Å; R9-E13 PolarHBondContact O-N 3.46Å
10N94.8Very high91.8Very high82 Ų8279.9 Ų79.944%0.43942%0.417SS..Hα-helixtrans-64.6-40.5178.5-68.7-15.1000111.3E6 E7 A14E6-N10 WeakPolarHBondContact O-CB 2.96Å; E6-N10 PolarHBondContact O-N 3.15Å; E6-N10 PolarHBondContact O-ND2 3.18Å; E7-N10 PolarHBondContact O-N 3.31Å; N10-A14 WeakPolarHBondContact O-CB 3.35Å; N10-A14 PolarHBondContact O-N 3.33Å; N10-A14 VanDerWaalsContact O-N 3.12Å
11E95.5Very high91.9Very high15 Ų1583.6 Ų83.67%0.0744%0.437CS..Hα-helixtrans-66.1-44.1175-166.8-173.1-14700111.3E7 R9 E13 A14 L15 Y56 Y60 V98 M99 I100E7-E11 PolarHBondContact O-N 3.46Å; R9-E11 VanDerWaalsContact C-N 3.35Å; E11-E13 PolarHBondContact O-N 3.35Å; E11-A14 WeakPolarHBondContact O-CB 3.32Å; E11-A14 PolarHBondContact O-N 3.03Å; E11-L15 HydrophobicContact CG-CD1 3.97Å; E11-L15 HydrophobicContact CG-CG 4.23Å; E11-L15 VanDerWaalsContact O-CG 3.26Å; E11-L15 WeakPolarHBondContact O-CG 3.24Å; E11-L15 PolarHBondContact O-N 3.31Å; E11-Y56 WeakPolarHBondContact OE2-CE1 3.34Å; E11-Y56 PolarHBondContact OE2-OH 3.44Å; E11-Y60 PolarHBondContact OE1-OH 2.92Å; E11-Y60 VanDerWaalsContact OE2-CE1 3.27Å; E11-Y60 WeakPolarHBondContact OE2-CE1 3.42Å; E11-Y60 PolarHBondContact OE2-OH 3.05Å; E11-Y60 VanDerWaalsContact OE2-OH 3.07Å; E11-V98 HydrophobicContact CB-CB 4.36Å; E11-V98 HydrophobicContact CB-CG1 4.14Å; E11-V98 HydrophobicContact CG-CB 4.1Å; E11-V98 HydrophobicContact CG-CG1 4.42Å; E11-V98 WeakPolarHBondContact OE1-CB 3.45Å; E11-M99 PolarHBondContact OE1-N 3.44Å; E11-I100 VanDerWaalsContact OE1-CB 3.29Å; E11-I100 WeakPolarHBondContact OE1-CB 3.32Å; E11-I100 WeakPolarHBondContact OE1-CG1 3.33Å; E11-I100 PolarHBondContact OE1-N 3.38Å; E11-I100 VanDerWaalsContact OE2-CG1 3.28Å; E11-I100 WeakPolarHBondContact OE2-CG1 3.47Å
12L94.3Very high93.4Very high39 Ų3974 Ų7420%0.20439%0.394CS..Hα-helixtrans-58.2-46.8177-78.5167.1000112.8Q8 R9 A14 L15 E16 F23 P31 F33 Y56Q8-L12 WeakPolarHBondContact O-CB 3.1Å; Q8-L12 VanDerWaalsContact O-CG 3.29Å; Q8-L12 WeakPolarHBondContact O-CG 3.48Å; Q8-L12 PolarHBondContact O-N 3.15Å; R9-L12 PolarHBondContact O-N 3.18Å; L12-A14 VanDerWaalsContact C-N 3.29Å; L12-A14 PolarHBondContact O-N 3.19Å; L12-L15 PolarHBondContact O-N 2.66Å; L12-E16 WeakPolarHBondContact O-CB 3.42Å; L12-E16 PolarHBondContact O-N 2.92Å; L12-F23 HydrophobicContact CD2-CE2 4.3Å; L12-F23 HydrophobicContact CD2-CZ 3.71Å; L12-P31 HydrophobicContact CD1-CB 4.33Å; L12-F33 HydrophobicContact CD2-CD1 3.47Å; L12-F33 VanDerWaalsContact CD2-CD1 3.47Å; L12-F33 HydrophobicContact CD2-CE1 3.54Å; L12-F33 HydrophobicContact CD2-CG 4.11Å; L12-F33 HydrophobicContact CD2-CZ 4.23Å; L12-Y56 HydrophobicContact CD1-CD2 4.46Å; L12-Y56 HydrophobicContact CD1-CE2 3.8Å; L12-Y56 HydrophobicContact CD2-CE2 4.09Å; L12-Y56 HydrophobicContact CG-CE2 3.7Å
13E95.1Very high94.1Very high138 Ų13871.9 Ų71.965%0.64538%0.38SS*.Hα-helixtrans-62-39.6177.7-175.1175.5-176.500111.2R9 E11 S17R9-E13 PolarHBondContact O-N 3.46Å; E11-E13 PolarHBondContact O-N 3.35Å; E13-S17 PolarHBondContact O-N 2.81Å; E13-S17 VanDerWaalsContact O-N 3.13Å
14A96.4Very high94.4Very high47 Ų4771.1 Ų71.139%0.38838%0.378SS..Hα-helixtrans-64.5-45.2174.600000111.8N10 E11 L12 S17 I18N10-A14 WeakPolarHBondContact O-CB 3.35Å; N10-A14 PolarHBondContact O-N 3.33Å; N10-A14 VanDerWaalsContact O-N 3.12Å; E11-A14 WeakPolarHBondContact O-CB 3.32Å; E11-A14 PolarHBondContact O-N 3.03Å; L12-A14 VanDerWaalsContact C-N 3.29Å; L12-A14 PolarHBondContact O-N 3.19Å; A14-S17 PolarHBondContact O-N 3.05Å; A14-I18 WeakPolarHBondContact O-CD1 3.39Å; A14-I18 WeakPolarHBondContact O-CG1 3.35Å; A14-I18 PolarHBondContact O-N 3.27Å
15L96.4Very high94.5Very high2 Ų271.9 Ų71.91%0.0139%0.389CS..Hα-helixtrans-65.3-40.3179.6-68.8170.1000112.3E11 L12 S17 I18 Y19 F23 F33 I35 I100 F101E11-L15 HydrophobicContact CG-CD1 3.97Å; E11-L15 HydrophobicContact CG-CG 4.23Å; E11-L15 VanDerWaalsContact O-CG 3.26Å; E11-L15 WeakPolarHBondContact O-CG 3.24Å; E11-L15 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 2.66Å; L15-S17 VanDerWaalsContact C-N 3.27Å; L15-S17 PolarHBondContact O-N 2.98Å; L15-I18 PolarHBondContact O-N 3.16Å; L15-Y19 HydrophobicContact CD2-CD2 4.17Å; L15-Y19 HydrophobicContact CD2-CE2 3.95Å; L15-Y19 PolarHBondContact O-N 3.08Å; L15-F23 HydrophobicContact CB-CD2 4.09Å; L15-F23 HydrophobicContact CB-CE2 3.87Å; L15-F23 HydrophobicContact CD1-CE2 4.39Å; L15-F33 HydrophobicContact CD1-CE2 3.98Å; L15-F33 HydrophobicContact CD1-CZ 3.95Å; L15-I35 HydrophobicContact CD1-CD1 4.46Å; L15-I35 HydrophobicContact CD2-CD1 4.24Å; L15-I100 HydrophobicContact CD1-CB 3.84Å; L15-I100 HydrophobicContact CD1-CG1 4.34Å; L15-I100 HydrophobicContact CD1-CG2 3.56Å; L15-I100 HydrophobicContact CD2-CB 4.43Å; L15-I100 HydrophobicContact CD2-CG2 4.05Å; L15-I100 HydrophobicContact CG-CG2 4.47Å; L15-F101 HydrophobicContact CD2-CB 4.44Å
16E94.7Very high94.7Very high121 Ų12174.6 Ų74.657%0.56540%0.395SS*.Hα-helixtrans-61.6-37.7174.6-173.1176.1-170.400111.1L12 F23L12-E16 WeakPolarHBondContact O-CB 3.42Å; L12-E16 PolarHBondContact O-N 2.92Å; E16-F23 HydrophobicContact CB-CD1 4.24Å; E16-F23 HydrophobicContact CB-CE1 4.23Å; E16-F23 HydrophobicContact CG-CD1 4.41Å
17S96.2Very high94.6Very high101 Ų10172.2 Ų72.271%0.70639%0.389SS*.Hα-helixtrans-74.2-32175.4-174.60000113.8E13 A14 L15E13-S17 PolarHBondContact O-N 2.81Å; E13-S17 VanDerWaalsContact O-N 3.13Å; A14-S17 PolarHBondContact O-N 3.05Å; L15-S17 VanDerWaalsContact C-N 3.27Å; L15-S17 PolarHBondContact O-N 2.98Å
18I95.9Very high94.4Very high83 Ų8377.3 Ų77.343%0.42641%0.413SS..Hα-helixtrans-78.2-37.9-179.6-67.2162.2000110.5A14 L15 P20 F101A14-I18 WeakPolarHBondContact O-CD1 3.39Å; A14-I18 WeakPolarHBondContact O-CG1 3.35Å; A14-I18 PolarHBondContact O-N 3.27Å; L15-I18 PolarHBondContact O-N 3.16Å; I18-P20 WeakPolarHBondContact O-CD 3.34Å; I18-F101 HydrophobicContact CD1-CD2 4.05Å; I18-F101 HydrophobicContact CD1-CE2 4.35Å; I18-F101 HydrophobicContact CG2-CE2 4.27Å
19Y94.8Very high94.2Very high45 Ų4583.5 Ų83.518%0.17645%0.447CS..  trans-122.958.1-171.9-57.9-66.9000112.4L15 D21 S22 F23 I35 F101 V104L15-Y19 HydrophobicContact CD2-CD2 4.17Å; L15-Y19 HydrophobicContact CD2-CE2 3.95Å; L15-Y19 PolarHBondContact O-N 3.08Å; Y19-D21 VanDerWaalsContact C-N 3.27Å; Y19-D21 PolarHBondContact O-N 3.28Å; Y19-S22 PolarHBondContact O-N 3.25Å; Y19-F23 WeakPolarHBondContact O-CB 3.49Å; Y19-F23 PolarHBondContact O-N 3.42Å; Y19-I35 HydrophobicContact CD2-CD1 4.26Å; Y19-I35 HydrophobicContact CD2-CG2 4.44Å; Y19-I35 HydrophobicContact CG-CG2 4.43Å; Y19-F101 HydrophobicContact CE2-CD2 4.29Å; Y19-F101 WeakPolarHBondContact OH-CE2 3.39Å; Y19-V104 HydrophobicContact CE1-CG1 4.33Å; Y19-V104 HydrophobicContact CE2-CG1 4.29Å; Y19-V104 WeakPolarHBondContact OH-CG1 3.42Å
20P93.4Very high93.9Very high91 Ų9179.4 Ų79.459%0.59144%0.44SS*.THydrogen-bonded Turntrans-60.4-33.9-172.325.1-35.3000113.7I18I18-P20 WeakPolarHBondContact O-CD 3.34Å
21D94.1Very high93.8Very high158 Ų15876.9 Ų76.985%0.84543%0.428SS*.THydrogen-bonded Turntrans-96.1-18.3-177.2-58.2-51000113.2Y19Y19-D21 VanDerWaalsContact C-N 3.27Å; Y19-D21 PolarHBondContact O-N 3.28Å
22S94Very high93.8Very high40 Ų4076.8 Ų76.828%0.2843%0.429SS..THydrogen-bonded Turntrans-108.2-9.9-173.6-65.40000113.9Y19 I35 T36Y19-S22 PolarHBondContact O-N 3.25Å; S22-I35 WeakPolarHBondContact O-CA 3.48Å; S22-T36 VanDerWaalsContact CB-O 3.29Å; S22-T36 WeakPolarHBondContact CB-O 3.4Å; S22-T36 PolarHBondContact O-N 3.48Å; S22-T36 PolarHBondContact OG-O 2.78Å
23F95.6Very high93.9Very high20 Ų2075 Ų759%0.08842%0.42CS..EExtended strand (participates in β ladder)trans-97.5135.8-178.6-176.9-93.3000111.2L12 L15 E16 Y19 V25 F33 T34 I35L12-F23 HydrophobicContact CD2-CE2 4.3Å; L12-F23 HydrophobicContact CD2-CZ 3.71Å; L15-F23 HydrophobicContact CB-CD2 4.09Å; L15-F23 HydrophobicContact CB-CE2 3.87Å; L15-F23 HydrophobicContact CD1-CE2 4.39Å; E16-F23 HydrophobicContact CB-CD1 4.24Å; E16-F23 HydrophobicContact CB-CE1 4.23Å; E16-F23 HydrophobicContact CG-CD1 4.41Å; Y19-F23 WeakPolarHBondContact O-CB 3.49Å; Y19-F23 PolarHBondContact O-N 3.42Å; F23-V25 HydrophobicContact CD1-CG2 4.31Å; F23-V25 HydrophobicContact CE1-CG2 3.43Å; F23-V25 VanDerWaalsContact CE1-CG2 3.43Å; F23-V25 HydrophobicContact CZ-CG2 4.06Å; F23-F33 AromaticContact CD2-CD2 3.99Å; F23-F33 HydrophobicContact CD2-CD2 3.99Å; F23-F33 HydrophobicContact CE2-CB 3.97Å; F23-F33 HydrophobicContact CE2-CD1 4.5Å; F23-F33 AromaticContact CE2-CD2 3.25Å; F23-F33 HydrophobicContact CE2-CD2 3.25Å; F23-F33 AromaticContact CE2-CE2 3.78Å; F23-F33 HydrophobicContact CE2-CE2 3.78Å; F23-F33 AromaticContact CE2-CG 3.66Å; F23-F33 HydrophobicContact CE2-CG 3.66Å; F23-F33 HydrophobicContact CZ-CB 3.83Å; F23-F33 AromaticContact CZ-CD2 3.94Å; F23-F33 HydrophobicContact CZ-CD2 3.94Å; F23-F33 AromaticContact CZ-CG 3.84Å; F23-F33 HydrophobicContact CZ-CG 3.84Å; F23-T34 WeakPolarHBondContact CA-O 3.42Å; F23-I35 HydrophobicContact CD2-CD1 4.06Å; F23-I35 HydrophobicContact CD2-CG1 3.75Å; F23-I35 HydrophobicContact CE2-CD1 4.48Å; F23-I35 HydrophobicContact CE2-CG1 4.41Å
24T95Very high94.1Very high77 Ų7769 Ų6947%0.47239%0.393SS..EExtended strand (participates in β ladder)trans-142.9123.8177-60.70000110.8F33 T34T24-F33 CarbonylContact O-C 3.55Å; T24-F33 WeakPolarHBondContact O-CA 3.35Å; T24-F33 WeakPolarHBondContact O-CB 3.48Å; T24-T34 PolarHBondContact N-O 2.9Å; T24-T34 PolarHBondContact O-N 3.42Å; T24-T34 PolarHBondContact O-OG1 2.85Å
25V94.4Very high94.1Very high81 Ų8166.8 Ų66.849%0.49137%0.374SS..EExtended strand (participates in β ladder)trans-80128.7175.8-175.20000109.9F23F23-V25 HydrophobicContact CD1-CG2 4.31Å; F23-V25 HydrophobicContact CE1-CG2 3.43Å; F23-V25 VanDerWaalsContact CE1-CG2 3.43Å; F23-V25 HydrophobicContact CZ-CG2 4.06Å
26L94.2Very high94.1Very high91 Ų9168.3 Ų68.348%0.47638%0.384SS..EExtended strand (participates in β ladder)trans-99.4-40.3178.1-60.9179.9000112.5S32 T34 K53L26-S32 WeakPolarHBondContact CA-O 3.39Å; L26-S32 WeakPolarHBondContact CB-O 3.45Å; L26-S32 PolarHBondContact N-O 3.48Å; L26-T34 HydrophobicContact CD1-CG2 3.76Å; L26-T34 HydrophobicContact CG-CG2 4.3Å; L26-K53 HydrophobicContact CD1-CD 4.11Å; L26-K53 HydrophobicContact CD1-CG 4.14Å
27S92.7Very high94.2Very high45 Ų4562.7 Ų62.732%0.31536%0.358SS..EExtended strand (participates in β ladder)trans-154.2148.9-175.91710000110.6N29 P30 P31 S32S27-N29 PolarHBondContact OG-N 2.96Å; S27-P30 CarbonylContact C-O 3.49Å; S27-P30 PolarHBondContact OG-O 3.38Å; S27-P31 CarbonylContact O-C 3.48Å; S27-P31 WeakPolarHBondContact O-CA 3.26Å; S27-S32 PolarHBondContact N-O 3.29Å; S27-S32 PolarHBondContact O-N 2.81Å
28E88.7Confident94.1Very high173 Ų17360.2 Ų60.281%0.80834%0.338SS*.EExtended strand (participates in β ladder)trans-96.1-21.7176.3-66178.9-176.600113.1P30E28-P30 CarbonylContact C-O 3.59Å
29N88.5Confident94Very high151 Ų15156.6 Ų56.681%0.80732%0.32SS*.THydrogen-bonded Turntrans-146.6101.3-179.5-165.71.1000112.8S27S27-N29 PolarHBondContact OG-N 2.96Å
30P88.5Confident93.8Very high67 Ų6761.1 Ų61.144%0.43534%0.343SS..THydrogen-bonded Turncis-64.9154-5.129.2-35.1000111.2S27 E28 S32 T55S27-P30 CarbonylContact C-O 3.49Å; S27-P30 PolarHBondContact OG-O 3.38Å; E28-P30 CarbonylContact C-O 3.59Å; P30-S32 PolarHBondContact O-N 3.15Å; P30-S32 VanDerWaalsContact O-N 3.13Å; P30-T55 HydrophobicContact CB-CG2 4Å; P30-T55 HydrophobicContact CG-CG2 3.89Å
31P92.1Very high93.2Very high30 Ų3059.9 Ų59.920%0.19534%0.34CS..EExtended strand (participates in β ladder)trans-62.3114.2173.6-18.930.3000110.2L12 S27 T55 Y56L12-P31 HydrophobicContact CD1-CB 4.33Å; S27-P31 CarbonylContact O-C 3.48Å; S27-P31 WeakPolarHBondContact O-CA 3.26Å; P31-T55 WeakPolarHBondContact O-CA 3.34Å; P31-Y56 HydrophobicContact CB-CD2 3.7Å; P31-Y56 HydrophobicContact CB-CE2 4.45Å; P31-Y56 HydrophobicContact CB-CG 4.45Å; P31-Y56 HydrophobicContact CG-CD2 4.13Å; P31-Y56 PolarHBondContact O-N 3.22Å
32S95.7Very high92Very high13 Ų1353.4 Ų53.49%0.09131%0.311CS..EExtended strand (participates in β ladder)trans-130.3134.8178.7-59.70000109.7L26 S27 P30 F54 T55L26-S32 WeakPolarHBondContact CA-O 3.39Å; L26-S32 WeakPolarHBondContact CB-O 3.45Å; L26-S32 PolarHBondContact N-O 3.48Å; S27-S32 PolarHBondContact N-O 3.29Å; S27-S32 PolarHBondContact O-N 2.81Å; P30-S32 PolarHBondContact O-N 3.15Å; P30-S32 VanDerWaalsContact O-N 3.13Å; S32-F54 VanDerWaalsContact CA-O 3.3Å; S32-F54 WeakPolarHBondContact CA-O 3.38Å; S32-T55 WeakPolarHBondContact CB-OG1 3.25Å; S32-T55 VanDerWaalsContact OG-CG2 3.27Å; S32-T55 WeakPolarHBondContact OG-CG2 3.47Å; S32-T55 PolarHBondContact OG-OG1 3.25Å
33F96.8Very high90.8Very high1 Ų158.5 Ų58.50%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-150.9163.2-178.358.4-88.2000110.5L12 L15 F23 T24 I35 K53 F54 Y56 I100L12-F33 HydrophobicContact CD2-CD1 3.47Å; L12-F33 VanDerWaalsContact CD2-CD1 3.47Å; L12-F33 HydrophobicContact CD2-CE1 3.54Å; L12-F33 HydrophobicContact CD2-CG 4.11Å; L12-F33 HydrophobicContact CD2-CZ 4.23Å; L15-F33 HydrophobicContact CD1-CE2 3.98Å; L15-F33 HydrophobicContact CD1-CZ 3.95Å; F23-F33 AromaticContact CD2-CD2 3.99Å; F23-F33 HydrophobicContact CD2-CD2 3.99Å; F23-F33 HydrophobicContact CE2-CB 3.97Å; F23-F33 HydrophobicContact CE2-CD1 4.5Å; F23-F33 AromaticContact CE2-CD2 3.25Å; F23-F33 HydrophobicContact CE2-CD2 3.25Å; F23-F33 AromaticContact CE2-CE2 3.78Å; F23-F33 HydrophobicContact CE2-CE2 3.78Å; F23-F33 AromaticContact CE2-CG 3.66Å; F23-F33 HydrophobicContact CE2-CG 3.66Å; F23-F33 HydrophobicContact CZ-CB 3.83Å; F23-F33 AromaticContact CZ-CD2 3.94Å; F23-F33 HydrophobicContact CZ-CD2 3.94Å; F23-F33 AromaticContact CZ-CG 3.84Å; F23-F33 HydrophobicContact CZ-CG 3.84Å; T24-F33 CarbonylContact O-C 3.55Å; T24-F33 WeakPolarHBondContact O-CA 3.35Å; T24-F33 WeakPolarHBondContact O-CB 3.48Å; F33-I35 HydrophobicContact CD2-CD1 4.31Å; F33-I35 HydrophobicContact CD2-CG1 4.14Å; F33-I35 HydrophobicContact CE2-CD1 3.92Å; F33-I35 HydrophobicContact CE2-CG1 4.22Å; F33-K53 WeakPolarHBondContact O-CA 3.32Å; F33-F54 HydrophobicContact CD2-CB 4.34Å; F33-F54 HydrophobicContact CD2-CD2 4.4Å; F33-F54 HydrophobicContact CE1-CB 4.11Å; F33-F54 HydrophobicContact CE2-CB 3.79Å; F33-F54 AromaticContact CE2-CD2 3.76Å; F33-F54 HydrophobicContact CE2-CD2 3.76Å; F33-F54 HydrophobicContact CE2-CG 4.16Å; F33-F54 HydrophobicContact CZ-CB 3.67Å; F33-F54 HydrophobicContact CZ-CD2 4.34Å; F33-F54 HydrophobicContact CZ-CG 4.32Å; F33-F54 PolarHBondContact N-O 2.81Å; F33-F54 PolarHBondContact O-N 3.43Å; F33-Y56 HydrophobicContact CE1-CD1 4.49Å; F33-Y56 HydrophobicContact CE1-CD2 4.49Å; F33-Y56 AromaticContact CE1-CE1 3.95Å; F33-Y56 HydrophobicContact CE1-CE1 3.95Å; F33-Y56 AromaticContact CE1-CE2 3.93Å; F33-Y56 HydrophobicContact CE1-CE2 3.93Å; F33-Y56 AromaticContact CE1-CZ 3.62Å; F33-Y56 HydrophobicContact CZ-CE1 4.15Å; F33-Y56 AromaticContact CZ-CZ 3.97Å; F33-I100 HydrophobicContact CE2-CG2 3.93Å; F33-I100 HydrophobicContact CZ-CD1 4.24Å; F33-I100 HydrophobicContact CZ-CG1 4.09Å; F33-I100 HydrophobicContact CZ-CG2 4.04Å
34T97.3Very high89.5Confident12 Ų1263.1 Ų63.17%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-119.6144.5175.651.10000111.5F23 T24 L26 T51 L52 K53F23-T34 WeakPolarHBondContact CA-O 3.42Å; T24-T34 PolarHBondContact N-O 2.9Å; T24-T34 PolarHBondContact O-N 3.42Å; T24-T34 PolarHBondContact O-OG1 2.85Å; L26-T34 HydrophobicContact CD1-CG2 3.76Å; L26-T34 HydrophobicContact CG-CG2 4.3Å; T34-T51 HydrophobicContact CG2-CG2 4.09Å; T34-L52 CarbonylContact C-O 3.59Å; T34-L52 WeakPolarHBondContact CA-O 3.39Å; T34-K53 HydrophobicContact CG2-CB 3.82Å; T34-K53 HydrophobicContact CG2-CG 4.15Å
35I97.5Very high88.6Confident0 Ų065.9 Ų65.90%037%0.368CS..EExtended strand (participates in β ladder)trans-124123.4171.4-61178.2000108.1L15 Y19 S22 F23 F33 V37 L52 F54 I100 V104L15-I35 HydrophobicContact CD1-CD1 4.46Å; L15-I35 HydrophobicContact CD2-CD1 4.24Å; Y19-I35 HydrophobicContact CD2-CD1 4.26Å; Y19-I35 HydrophobicContact CD2-CG2 4.44Å; Y19-I35 HydrophobicContact CG-CG2 4.43Å; S22-I35 WeakPolarHBondContact O-CA 3.48Å; F23-I35 HydrophobicContact CD2-CD1 4.06Å; F23-I35 HydrophobicContact CD2-CG1 3.75Å; F23-I35 HydrophobicContact CE2-CD1 4.48Å; F23-I35 HydrophobicContact CE2-CG1 4.41Å; F33-I35 HydrophobicContact CD2-CD1 4.31Å; F33-I35 HydrophobicContact CD2-CG1 4.14Å; F33-I35 HydrophobicContact CE2-CD1 3.92Å; F33-I35 HydrophobicContact CE2-CG1 4.22Å; I35-V37 HydrophobicContact CG2-CG2 4.15Å; I35-L52 PolarHBondContact N-O 2.87Å; I35-L52 PolarHBondContact O-N 3.42Å; I35-F54 HydrophobicContact CD1-CE2 4.44Å; I35-I100 HydrophobicContact CD1-CG2 3.92Å; I35-V104 HydrophobicContact CB-CG2 4.33Å; I35-V104 HydrophobicContact CD1-CG2 3.82Å; I35-V104 HydrophobicContact CG2-CG1 4.2Å; I35-V104 HydrophobicContact CG2-CG2 4.1Å
36T97Very high88Confident35 Ų3565.4 Ų65.422%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-90.5121.4174.8-57.30000110.1S22 Q49 T51S22-T36 VanDerWaalsContact CB-O 3.29Å; S22-T36 WeakPolarHBondContact CB-O 3.4Å; S22-T36 PolarHBondContact O-N 3.48Å; S22-T36 PolarHBondContact OG-O 2.78Å; T36-Q49 HydrophobicContact CG2-CG 3.61Å; T36-T51 PolarHBondContact OG1-OG1 2.9Å
37V95.9Very high87.8Confident3 Ų363.1 Ų63.12%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-114124.7-177.5-168.40000107.7I35 Q49 T50 L52 V104 Q108 L111I35-V37 HydrophobicContact CG2-CG2 4.15Å; V37-Q49 WeakPolarHBondContact O-CA 3.03Å; V37-Q49 WeakPolarHBondContact O-CG 3.36Å; V37-T50 HydrophobicContact CB-CG2 4.34Å; V37-T50 PolarHBondContact N-O 2.86Å; V37-T50 PolarHBondContact O-N 3.34Å; V37-L52 HydrophobicContact CG2-CD1 4.24Å; V37-V104 HydrophobicContact CG2-CG1 3.89Å; V37-Q108 HydrophobicContact CG1-CB 3.84Å; V37-Q108 HydrophobicContact CG1-CG 4.4Å; V37-L111 HydrophobicContact CB-CD1 4Å; V37-L111 HydrophobicContact CG1-CD1 3.74Å
38T94.4Very high87.8Confident48 Ų4861.1 Ų61.129%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-121.6133.3-178.4-510000108.4T47 V48 Q49 Q108T38-T47 HydrophobicContact CG2-CG2 4.21Å; T38-V48 WeakPolarHBondContact CA-O 3.13Å; T38-Q49 HydrophobicContact CG2-CB 4.4Å; T38-Q49 PolarHBondContact OG1-NE2 2.91Å; T38-Q108 PolarHBondContact O-NE2 3.43Å; T38-Q108 PolarHBondContact O-OE1 2.89Å
39S93.4Very high88.1Confident7 Ų755.7 Ų55.75%0.04931%0.311CS..PPolyproline II helixtrans-60.4161.8174.971.80000111.5T47 V48 N112S39-T47 WeakPolarHBondContact OG-CA 3.41Å; S39-V48 PolarHBondContact N-O 3.42Å; S39-V48 PolarHBondContact OG-N 3.49Å; S39-N112 VanDerWaalsContact CA-OD1 3.31Å; S39-N112 WeakPolarHBondContact CA-OD1 3.34Å; S39-N112 WeakPolarHBondContact CB-OD1 3.3Å
40E89.7Confident88.4Confident141 Ų14148.5 Ų48.566%0.65927%0.272SS*.PPolyproline II helixtrans-57.9146.5163.4-67.6176.6-151.800110G42 N112E40-G42 PolarHBondContact O-N 3.06Å; E40-N112 PolarHBondContact N-OD1 3.32Å; E40-N112 PolarHBondContact OE1-ND2 3.18Å
41A81.5Confident88.8Confident64 Ų6445.9 Ų45.953%0.52926%0.255SS..PPolyproline II helixtrans-65.5120.7178.700000109.5T47A41-T47 HydrophobicContact CB-CG2 4.15Å
42G69.9Low89.1Confident22 Ų2244.6 Ų44.623%0.22725%0.246CC..  trans-64.6174.9169.700000111.8E40 N44 D45 E46E40-G42 PolarHBondContact O-N 3.06Å; G42-N44 PolarHBondContact O-N 3.44Å; G42-D45 PolarHBondContact O-N 3.41Å; G42-E46 PolarHBondContact N-O 2.89Å
43E67.4Low89.2Confident148 Ų14846.3 Ų46.369%0.69225%0.252SS*.THydrogen-bonded Turntrans-59.9-20.1-176.6-166.7167178.700114.1K119E43-K119 VanDerWaalsContact OE2-CE 3.22Å; E43-K119 WeakPolarHBondContact OE2-CE 3.27Å; E43-K119 IonicContact OE2-NZ 2.79Å; E43-K119 PolarHBondContact OE2-NZ 3.41Å
44N70Confident89.2Confident116 Ų11646.3 Ų46.362%0.6225%0.252SS*.THydrogen-bonded Turntrans-106.818.4177.9-65.2-41.4000113.8G42 E46G42-N44 PolarHBondContact O-N 3.44Å; N44-E46 HydrophobicContact CB-CG 4.1Å; N44-E46 PolarHBondContact O-N 3.31Å
45D74.6Confident89.1Confident136 Ų13646.6 Ų46.673%0.72725%0.254SS*.SBendtrans61.621.7-172.1-146.425.2000112.5G42G42-D45 PolarHBondContact O-N 3.41Å
46E81.9Confident89Confident70 Ų7046.9 Ų46.933%0.32726%0.255SS..  trans-82.1122.1173.8-67.2-168.7126.800109.1G42 N44 R122G42-E46 PolarHBondContact N-O 2.89Å; N44-E46 HydrophobicContact CB-CG 4.1Å; N44-E46 PolarHBondContact O-N 3.31Å; E46-R122 IonicContact OE1-CZ 2.64Å; E46-R122 IonicContact OE1-NH1 2.78Å; E46-R122 PolarHBondContact OE1-NH1 2.95Å; E46-R122 IonicContact OE1-NH2 3.38Å; E46-R122 IonicContact OE2-CZ 3.03Å; E46-R122 IonicContact OE2-NH1 2.77Å; E46-R122 PolarHBondContact OE2-NH1 3.36Å
47T89.9Confident88.8Confident44 Ų4446.4 Ų46.427%0.2725%0.253SS..  trans-123.5144.1175.855.60000110T38 S39 A41 N74T38-T47 HydrophobicContact CG2-CG2 4.21Å; S39-T47 WeakPolarHBondContact OG-CA 3.41Å; A41-T47 HydrophobicContact CB-CG2 4.15Å; T47-N74 PolarHBondContact O-ND2 3.13Å
48V92.7Very high88.6Confident3 Ų355 Ų552%0.01829%0.294CS..  trans-99.9141.9166.3-59.60000109.1T38 S39 N74 L75 L111 V115 I118T38-V48 WeakPolarHBondContact CA-O 3.13Å; S39-V48 PolarHBondContact N-O 3.42Å; S39-V48 PolarHBondContact OG-N 3.49Å; V48-N74 HydrophobicContact CG1-CB 3.94Å; V48-N74 VanDerWaalsContact CG1-O 3.31Å; V48-N74 WeakPolarHBondContact CG1-O 3.19Å; V48-L75 HydrophobicContact CB-CD2 3.88Å; V48-L75 HydrophobicContact CB-CG 4.19Å; V48-L75 HydrophobicContact CG1-CD2 4.17Å; V48-L75 HydrophobicContact CG2-CD2 4.19Å; V48-L111 HydrophobicContact CG2-CB 3.83Å; V48-L111 HydrophobicContact CG2-CD2 3.83Å; V48-L111 HydrophobicContact CG2-CG 4.32Å; V48-L111 WeakPolarHBondContact CG2-O 3.27Å; V48-V115 HydrophobicContact CG1-CB 4.48Å; V48-V115 HydrophobicContact CG2-CB 4.33Å; V48-I118 HydrophobicContact CG1-CD1 3.98Å
49Q94.9Very high88.5Confident59 Ų5958.3 Ų58.328%0.27630%0.304SS..EExtended strand (participates in β ladder)trans-134.2142.4-177.4-175.9179.394.100110.7T36 V37 T38 Q72 E73T36-Q49 HydrophobicContact CG2-CG 3.61Å; V37-Q49 WeakPolarHBondContact O-CA 3.03Å; V37-Q49 WeakPolarHBondContact O-CG 3.36Å; T38-Q49 HydrophobicContact CG2-CB 4.4Å; T38-Q49 PolarHBondContact OG1-NE2 2.91Å; Q49-Q72 WeakPolarHBondContact O-CA 3.38Å; Q49-E73 HydrophobicContact CB-CB 4.25Å; Q49-E73 PolarHBondContact N-O 2.88Å; Q49-E73 PolarHBondContact O-N 3.49Å
50T96.3Very high88.6Confident0 Ų058 Ų580%030%0.301CS..EExtended strand (participates in β ladder)trans-138.9139.2171.1-163.70000110.7V37 L52 I69 V107 L111V37-T50 HydrophobicContact CB-CG2 4.34Å; V37-T50 PolarHBondContact N-O 2.86Å; V37-T50 PolarHBondContact O-N 3.34Å; T50-L52 HydrophobicContact CG2-CD2 4.1Å; T50-L52 HydrophobicContact CG2-CG 4.24Å; T50-I69 WeakPolarHBondContact OG1-CG2 3.17Å; T50-V107 HydrophobicContact CG2-CG1 3.71Å; T50-L111 HydrophobicContact CG2-CD1 3.91Å; T50-L111 HydrophobicContact CG2-CD2 4.3Å
51T97Very high88.8Confident12 Ų1251.3 Ų51.37%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-104.6110.7173.9-54.80000108.5T34 T36 F70 S71T34-T51 HydrophobicContact CG2-CG2 4.09Å; T36-T51 PolarHBondContact OG1-OG1 2.9Å; T51-F70 HydrophobicContact CG2-CB 4.31Å; T51-F70 PolarHBondContact O-N 3.05Å; T51-S71 VanDerWaalsContact CB-OG 3.23Å; T51-S71 WeakPolarHBondContact CB-OG 3.06Å; T51-S71 PolarHBondContact N-O 3.32Å; T51-S71 PolarHBondContact OG1-OG 2.76Å
52L97.1Very high89.4Confident2 Ų251.9 Ų51.91%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-89.7126.9178.4-58176.6000109.2T34 I35 V37 T50 F54 I69 L87 V107T34-L52 CarbonylContact C-O 3.59Å; T34-L52 WeakPolarHBondContact CA-O 3.39Å; I35-L52 PolarHBondContact N-O 2.87Å; I35-L52 PolarHBondContact O-N 3.42Å; V37-L52 HydrophobicContact CG2-CD1 4.24Å; T50-L52 HydrophobicContact CG2-CD2 4.1Å; T50-L52 HydrophobicContact CG2-CG 4.24Å; L52-F54 HydrophobicContact CB-CD2 4.36Å; L52-F54 HydrophobicContact CB-CE2 3.63Å; L52-F54 HydrophobicContact CB-CZ 3.85Å; L52-F54 HydrophobicContact CD1-CE2 4.15Å; L52-F54 HydrophobicContact CD1-CZ 3.83Å; L52-F54 HydrophobicContact CG-CZ 4.48Å; L52-I69 HydrophobicContact CD2-CG1 3.94Å; L52-L87 HydrophobicContact CD2-CD1 4.27Å; L52-V107 HydrophobicContact CD1-CB 4.07Å; L52-V107 HydrophobicContact CD1-CG1 4.14Å; L52-V107 HydrophobicContact CD1-CG2 3.82Å
53K97.3Very high90.5Very high50 Ų5055.5 Ų55.522%0.21728%0.275CS..EExtended strand (participates in β ladder)trans-99.4122.7171.2177.4-178.7159.3-143.60108.8L26 F33 T34 Y67 E68 F70L26-K53 HydrophobicContact CD1-CD 4.11Å; L26-K53 HydrophobicContact CD1-CG 4.14Å; F33-K53 WeakPolarHBondContact O-CA 3.32Å; T34-K53 HydrophobicContact CG2-CB 3.82Å; T34-K53 HydrophobicContact CG2-CG 4.15Å; K53-Y67 VanDerWaalsContact O-CA 3.31Å; K53-Y67 WeakPolarHBondContact O-CA 3.19Å; K53-E68 PolarHBondContact N-O 3.14Å; K53-E68 IonicContact NZ-OE2 3.67Å; K53-E68 PolarHBondContact NZ-OE2 3.44Å; K53-E68 PolarHBondContact O-N 3.09Å; K53-F70 HydrophobicContact CB-CB 4.26Å; K53-F70 HydrophobicContact CD-CD2 4.37Å
54F97Very high91.8Very high0 Ų050 Ų500%026%0.256CS..EExtended strand (participates in β ladder)trans-109.5142.6174.1-62.7-74.4000110.1S32 F33 I35 L52 L66 I100 L103 V104S32-F54 VanDerWaalsContact CA-O 3.3Å; S32-F54 WeakPolarHBondContact CA-O 3.38Å; F33-F54 HydrophobicContact CD2-CB 4.34Å; F33-F54 HydrophobicContact CD2-CD2 4.4Å; F33-F54 HydrophobicContact CE1-CB 4.11Å; F33-F54 HydrophobicContact CE2-CB 3.79Å; F33-F54 AromaticContact CE2-CD2 3.76Å; F33-F54 HydrophobicContact CE2-CD2 3.76Å; F33-F54 HydrophobicContact CE2-CG 4.16Å; F33-F54 HydrophobicContact CZ-CB 3.67Å; F33-F54 HydrophobicContact CZ-CD2 4.34Å; F33-F54 HydrophobicContact CZ-CG 4.32Å; F33-F54 PolarHBondContact N-O 2.81Å; F33-F54 PolarHBondContact O-N 3.43Å; I35-F54 HydrophobicContact CD1-CE2 4.44Å; L52-F54 HydrophobicContact CB-CD2 4.36Å; L52-F54 HydrophobicContact CB-CE2 3.63Å; L52-F54 HydrophobicContact CB-CZ 3.85Å; L52-F54 HydrophobicContact CD1-CE2 4.15Å; L52-F54 HydrophobicContact CD1-CZ 3.83Å; L52-F54 HydrophobicContact CG-CZ 4.48Å; F54-L66 CarbonylContact C-O 3.52Å; F54-L66 WeakPolarHBondContact CA-O 3.38Å; F54-I100 HydrophobicContact CB-CD1 4.06Å; F54-I100 HydrophobicContact CD1-CD1 3.68Å; F54-I100 HydrophobicContact CD2-CD1 4.39Å; F54-I100 HydrophobicContact CD2-CG2 4Å; F54-I100 HydrophobicContact CE1-CD1 4.2Å; F54-I100 HydrophobicContact CE2-CG2 4.01Å; F54-I100 HydrophobicContact CG-CD1 3.79Å; F54-I100 HydrophobicContact CG-CG2 4.44Å; F54-I100 HydrophobicContact CZ-CG2 4.47Å; F54-L103 HydrophobicContact CE1-CB 4.39Å; F54-L103 HydrophobicContact CE1-CD1 3.85Å; F54-L103 HydrophobicContact CZ-CB 4.29Å; F54-V104 HydrophobicContact CE2-CG2 3.96Å; F54-V104 HydrophobicContact CZ-CG2 4.26Å
55T96.4Very high93Very high19 Ų1944.7 Ų44.712%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-134.5122.2171.1-61.60000109P30 P31 S32 L66P30-T55 HydrophobicContact CB-CG2 4Å; P30-T55 HydrophobicContact CG-CG2 3.89Å; P31-T55 WeakPolarHBondContact O-CA 3.34Å; S32-T55 WeakPolarHBondContact CB-OG1 3.25Å; S32-T55 VanDerWaalsContact OG-CG2 3.27Å; S32-T55 WeakPolarHBondContact OG-CG2 3.47Å; S32-T55 PolarHBondContact OG-OG1 3.25Å; T55-L66 PolarHBondContact N-O 2.91Å; T55-L66 PolarHBondContact O-N 3.01Å
56Y95.4Very high94Very high6 Ų643.9 Ų43.92%0.02422%0.222CC..  trans-70135.7178.5-67.1-35.3000111.1Q8 E11 L12 P31 F33 Y60 P65 I100Q8-Y56 HydrophobicContact CB-CD2 3.78Å; Q8-Y56 HydrophobicContact CB-CE2 3.79Å; Q8-Y56 HydrophobicContact CG-CD2 3.64Å; Q8-Y56 HydrophobicContact CG-CE2 3.98Å; Q8-Y56 HydrophobicContact CG-CG 4.03Å; E11-Y56 WeakPolarHBondContact OE2-CE1 3.34Å; E11-Y56 PolarHBondContact OE2-OH 3.44Å; L12-Y56 HydrophobicContact CD1-CD2 4.46Å; L12-Y56 HydrophobicContact CD1-CE2 3.8Å; L12-Y56 HydrophobicContact CD2-CE2 4.09Å; L12-Y56 HydrophobicContact CG-CE2 3.7Å; P31-Y56 HydrophobicContact CB-CD2 3.7Å; P31-Y56 HydrophobicContact CB-CE2 4.45Å; P31-Y56 HydrophobicContact CB-CG 4.45Å; P31-Y56 HydrophobicContact CG-CD2 4.13Å; P31-Y56 PolarHBondContact O-N 3.22Å; F33-Y56 HydrophobicContact CE1-CD1 4.49Å; F33-Y56 HydrophobicContact CE1-CD2 4.49Å; F33-Y56 AromaticContact CE1-CE1 3.95Å; F33-Y56 HydrophobicContact CE1-CE1 3.95Å; F33-Y56 AromaticContact CE1-CE2 3.93Å; F33-Y56 HydrophobicContact CE1-CE2 3.93Å; F33-Y56 AromaticContact CE1-CZ 3.62Å; F33-Y56 HydrophobicContact CZ-CE1 4.15Å; F33-Y56 AromaticContact CZ-CZ 3.97Å; Y56-Y60 AromaticContact CD1-CD1 3.54Å; Y56-Y60 HydrophobicContact CD1-CD1 3.54Å; Y56-Y60 HydrophobicContact CD1-CD2 4.29Å; Y56-Y60 AromaticContact CD1-CE1 3.79Å; Y56-Y60 HydrophobicContact CD1-CE1 3.79Å; Y56-Y60 AromaticContact CD1-CG 3.81Å; Y56-Y60 HydrophobicContact CD1-CG 3.81Å; Y56-Y60 AromaticContact CE1-CD1 3.69Å; Y56-Y60 HydrophobicContact CE1-CD1 3.69Å; Y56-Y60 AromaticContact CE1-CE1 3.43Å; Y56-Y60 HydrophobicContact CE1-CE1 3.43Å; Y56-Y60 VanDerWaalsContact CE1-CE1 3.43Å; Y56-Y60 HydrophobicContact CE1-CE2 4.5Å; Y56-Y60 HydrophobicContact CE1-CG 4.32Å; Y56-Y60 AromaticContact CE1-CZ 3.88Å; Y56-Y60 HydrophobicContact CG-CD1 4.16Å; Y56-Y60 HydrophobicContact CG-CG 4.46Å; Y56-P65 HydrophobicContact CD1-CB 4.49Å; Y56-I100 HydrophobicContact CE1-CD1 4.04Å; Y56-I100 HydrophobicContact CE1-CG1 3.84Å
57S93Very high94.6Very high25 Ų2543.6 Ų43.618%0.17522%0.219CC..  trans-81.1161.2167.167.30000109.8Q8 K59 Y60Q8-S57 PolarHBondContact NE2-O 2.99Å; S57-K59 PolarHBondContact O-N 3.11Å; S57-Y60 PolarHBondContact O-N 2.92Å; S57-Y60 PolarHBondContact OG-N 3.24Å
58E91.4Very high94.9Very high184 Ų18446.6 Ų46.686%0.8623%0.23SC*.THydrogen-bonded Turntrans-60.4-20.1178.3-63-177.8173.500113.4
59K93Very high95Very high116 Ų11648.1 Ų48.150%0.50424%0.237SC..THydrogen-bonded Turntrans-111.87.8-177.9-62.8-177.7-174.3168.80113.5S57 D62 E63S57-K59 PolarHBondContact O-N 3.11Å; K59-D62 WeakPolarHBondContact O-CA 3.45Å; K59-D62 WeakPolarHBondContact O-CB 3.4Å; K59-D62 PolarHBondContact O-N 2.81Å; K59-E63 HydrophobicContact CB-CB 3.87Å; K59-E63 PolarHBondContact O-N 3.39Å; K59-E63 VanDerWaalsContact O-N 3.12Å
60Y93.8Very high94.9Very high0 Ų052 Ų520%025%0.253CS..THydrogen-bonded Turntrans-64.8131.4175.8179.4-90.2000110.3Y4 Q8 E11 Y56 S57 E63 P65 V98 M99Y4-Y60 WeakPolarHBondContact CB-O 3.41Å; Q8-Y60 HydrophobicContact CG-CD1 3.86Å; Q8-Y60 PolarHBondContact NE2-O 3.42Å; E11-Y60 PolarHBondContact OE1-OH 2.92Å; E11-Y60 VanDerWaalsContact OE2-CE1 3.27Å; E11-Y60 WeakPolarHBondContact OE2-CE1 3.42Å; E11-Y60 PolarHBondContact OE2-OH 3.05Å; E11-Y60 VanDerWaalsContact OE2-OH 3.07Å; Y56-Y60 AromaticContact CD1-CD1 3.54Å; Y56-Y60 HydrophobicContact CD1-CD1 3.54Å; Y56-Y60 HydrophobicContact CD1-CD2 4.29Å; Y56-Y60 AromaticContact CD1-CE1 3.79Å; Y56-Y60 HydrophobicContact CD1-CE1 3.79Å; Y56-Y60 AromaticContact CD1-CG 3.81Å; Y56-Y60 HydrophobicContact CD1-CG 3.81Å; Y56-Y60 AromaticContact CE1-CD1 3.69Å; Y56-Y60 HydrophobicContact CE1-CD1 3.69Å; Y56-Y60 AromaticContact CE1-CE1 3.43Å; Y56-Y60 HydrophobicContact CE1-CE1 3.43Å; Y56-Y60 VanDerWaalsContact CE1-CE1 3.43Å; Y56-Y60 HydrophobicContact CE1-CE2 4.5Å; Y56-Y60 HydrophobicContact CE1-CG 4.32Å; Y56-Y60 AromaticContact CE1-CZ 3.88Å; Y56-Y60 HydrophobicContact CG-CD1 4.16Å; Y56-Y60 HydrophobicContact CG-CG 4.46Å; S57-Y60 PolarHBondContact O-N 2.92Å; S57-Y60 PolarHBondContact OG-N 3.24Å; Y60-E63 WeakPolarHBondContact CA-O 3.47Å; Y60-E63 WeakPolarHBondContact CD2-O 3.45Å; Y60-P65 HydrophobicContact CD2-CB 3.89Å; Y60-P65 HydrophobicContact CD2-CG 4.1Å; Y60-P65 HydrophobicContact CE2-CB 3.99Å; Y60-P65 HydrophobicContact CE2-CG 3.77Å; Y60-V98 HydrophobicContact CE1-CG1 4.35Å; Y60-V98 WeakPolarHBondContact OH-CA 3.24Å; Y60-M99 HydrophobicContact CE2-CE 4.05Å; Y60-M99 HydrophobicContact CE2-CG 3.93Å; Y60-M99 HydrophobicContact CE2-SD 4.38Å; Y60-M99 PolarHBondContact OH-N 3.22Å
61P94.7Very high94.9Very high1 Ų154.6 Ų54.61%0.00627%0.272CS..THydrogen-bonded Turncis-951.714.835-35.8000117.7E7 E63 G96 M97 V98E7-P61 WeakPolarHBondContact OE2-CD 3.46Å; E7-P61 WeakPolarHBondContact OE2-CG 3.37Å; P61-E63 PolarHBondContact O-N 3.13Å; P61-G96 PolarHBondContact O-N 2.78Å; P61-M97 VanDerWaalsContact CB-O 3.24Å; P61-M97 WeakPolarHBondContact CB-O 3.48Å; P61-V98 HydrophobicContact CG-CG1 4.35Å
62D93Very high94.7Very high76 Ų7657.6 Ų57.641%0.40629%0.285SS..THydrogen-bonded Turntrans-65.9-24.5176.4-72.9-10000112.4Y4 K59Y4-D62 HydrophobicContact CE1-CB 4.19Å; Y4-D62 VanDerWaalsContact CE1-OD2 3.27Å; Y4-D62 WeakPolarHBondContact CE1-OD2 3.48Å; Y4-D62 PolarHBondContact OH-OD2 2.95Å; K59-D62 WeakPolarHBondContact O-CA 3.45Å; K59-D62 WeakPolarHBondContact O-CB 3.4Å; K59-D62 PolarHBondContact O-N 2.81Å
63E93.5Very high94.5Very high98 Ų9862.8 Ų62.846%0.45831%0.309SS..SBendtrans-117.5139.1172.1-173.6170.4-179.800109.7K59 Y60 P61K59-E63 HydrophobicContact CB-CB 3.87Å; K59-E63 PolarHBondContact O-N 3.39Å; K59-E63 VanDerWaalsContact O-N 3.12Å; Y60-E63 WeakPolarHBondContact CA-O 3.47Å; Y60-E63 WeakPolarHBondContact CD2-O 3.45Å; P61-E63 PolarHBondContact O-N 3.13Å
64A94.4Very high94.2Very high34 Ų3465.3 Ų65.328%0.28133%0.325SS..PPolyproline II helixtrans-56.9145.1-179.700000111.6A91 L95A64-A91 HydrophobicContact CB-CB 4.21Å; A64-L95 HydrophobicContact CB-CD2 4.09Å
65P95.1Very high93.9Very high3 Ų366.1 Ų66.12%0.01933%0.329CS..PPolyproline II helixtrans-71.5156.5174.631.5-30000109.4Y56 Y60 Y67 M99 I100 L103Y56-P65 HydrophobicContact CD1-CB 4.49Å; Y60-P65 HydrophobicContact CD2-CB 3.89Å; Y60-P65 HydrophobicContact CD2-CG 4.1Å; Y60-P65 HydrophobicContact CE2-CB 3.99Å; Y60-P65 HydrophobicContact CE2-CG 3.77Å; P65-Y67 VanDerWaalsContact O-CD1 3.28Å; P65-Y67 WeakPolarHBondContact O-CD1 3.3Å; P65-M99 HydrophobicContact CG-SD 4.42Å; P65-I100 HydrophobicContact CB-CD1 4.22Å; P65-I100 HydrophobicContact CG-CD1 3.87Å; P65-L103 HydrophobicContact CG-CD1 4.25Å
66L95.8Very high93.6Very high119 Ų11969.1 Ų69.162%0.62334%0.342SS*.EExtended strand (participates in β ladder)trans-76.3126.7166.8-65.9175.9000108.3F54 T55F54-L66 CarbonylContact C-O 3.52Å; F54-L66 WeakPolarHBondContact CA-O 3.38Å; T55-L66 PolarHBondContact N-O 2.91Å; T55-L66 PolarHBondContact O-N 3.01Å
67Y96.1Very high93.5Very high64 Ų6475 Ų7525%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-124.8137.7177.750.9-95.7000110.7K53 P65 L84 L87 A88 A91K53-Y67 VanDerWaalsContact O-CA 3.31Å; K53-Y67 WeakPolarHBondContact O-CA 3.19Å; P65-Y67 VanDerWaalsContact O-CD1 3.28Å; P65-Y67 WeakPolarHBondContact O-CD1 3.3Å; Y67-L84 HydrophobicContact CD2-CD2 4.26Å; Y67-L84 HydrophobicContact CE2-CD2 4.38Å; Y67-L87 HydrophobicContact CD2-CB 4.17Å; Y67-L87 HydrophobicContact CD2-CD1 4.08Å; Y67-L87 HydrophobicContact CE2-CB 3.97Å; Y67-A88 VanDerWaalsContact OH-CA 3.26Å; Y67-A88 WeakPolarHBondContact OH-CA 3.24Å; Y67-A88 WeakPolarHBondContact OH-CB 3.47Å; Y67-A91 HydrophobicContact CE1-CB 4.24Å
68E95.2Very high93.5Very high107 Ų10779.2 Ų79.250%0.539%0.394SS..EExtended strand (participates in β ladder)trans-140.8146.5178.5-63.9173.2166.100108.8K53 F70K53-E68 PolarHBondContact N-O 3.14Å; K53-E68 IonicContact NZ-OE2 3.67Å; K53-E68 PolarHBondContact NZ-OE2 3.44Å; K53-E68 PolarHBondContact O-N 3.09Å; E68-F70 PolarHBondContact O-N 2.85Å
69I95.3Very high93.6Very high35 Ų3571.7 Ų71.718%0.17936%0.36CS..EExtended strand (participates in β ladder)trans-85.6110.7169.9-65.9170.7000107.1T50 L52 Q72 V80 I83 L84T50-I69 WeakPolarHBondContact OG1-CG2 3.17Å; L52-I69 HydrophobicContact CD2-CG1 3.94Å; I69-Q72 HydrophobicContact CG2-CB 4.29Å; I69-V80 HydrophobicContact CD1-CB 4.49Å; I69-V80 HydrophobicContact CD1-CG1 3.57Å; I69-I83 HydrophobicContact CD1-CG2 4.23Å; I69-L84 HydrophobicContact CD1-CD2 4.04Å; I69-L84 HydrophobicContact CD1-CG 3.92Å; I69-L84 HydrophobicContact CG1-CD2 4.24Å
70F93.3Very high93.7Very high140 Ų14067 Ų6761%0.61434%0.341SS*.EExtended strand (participates in β ladder)trans-80-40.4-176.3-174.7-97.7000112T51 K53 E68T51-F70 HydrophobicContact CG2-CB 4.31Å; T51-F70 PolarHBondContact O-N 3.05Å; K53-F70 HydrophobicContact CB-CB 4.26Å; K53-F70 HydrophobicContact CD-CD2 4.37Å; E68-F70 PolarHBondContact O-N 2.85Å
71S94.3Very high93.8Very high55 Ų5569.1 Ų69.139%0.38536%0.356SS..EExtended strand (participates in β ladder)trans-151.3151.1175.345.10000110.2T51T51-S71 VanDerWaalsContact CB-OG 3.23Å; T51-S71 WeakPolarHBondContact CB-OG 3.06Å; T51-S71 PolarHBondContact N-O 3.32Å; T51-S71 PolarHBondContact OG1-OG 2.76Å
72Q94Very high93.8Very high75 Ų7572.4 Ų72.435%0.3537%0.373SS..EExtended strand (participates in β ladder)trans-139.2144.117871.4-162.733.300109.4Q49 I69 L75 V80Q49-Q72 WeakPolarHBondContact O-CA 3.38Å; I69-Q72 HydrophobicContact CG2-CB 4.29Å; Q72-L75 HydrophobicContact CB-CB 4.38Å; Q72-L75 HydrophobicContact CB-CD1 4.22Å; Q72-V80 HydrophobicContact CG-CG2 4.5Å
73E93.1Very high93.9Very high111 Ų11168.8 Ų68.852%0.51935%0.354SS..EExtended strand (participates in β ladder)trans-133.5132.6177.9-170.1171.7-170.600109.3Q49 L75Q49-E73 HydrophobicContact CB-CB 4.25Å; Q49-E73 PolarHBondContact N-O 2.88Å; Q49-E73 PolarHBondContact O-N 3.49Å; E73-L75 PolarHBondContact O-N 3.4Å
74N90Very high94Very high103 Ų10367.3 Ų67.355%0.55135%0.349SS*.SBendtrans57.827.2-176.6-57.1-40.5000115.1T47 V48T47-N74 PolarHBondContact O-ND2 3.13Å; V48-N74 HydrophobicContact CG1-CB 3.94Å; V48-N74 VanDerWaalsContact CG1-O 3.31Å; V48-N74 WeakPolarHBondContact CG1-O 3.19Å
75L91.1Very high94.1Very high18 Ų1871.6 Ų71.69%0.09436%0.361CS..  trans-116.1137.6175.3-68.4172000111.1V48 Q72 E73 D79 V80 I83 L111 I114V48-L75 HydrophobicContact CB-CD2 3.88Å; V48-L75 HydrophobicContact CB-CG 4.19Å; V48-L75 HydrophobicContact CG1-CD2 4.17Å; V48-L75 HydrophobicContact CG2-CD2 4.19Å; Q72-L75 HydrophobicContact CB-CB 4.38Å; Q72-L75 HydrophobicContact CB-CD1 4.22Å; E73-L75 PolarHBondContact O-N 3.4Å; L75-D79 HydrophobicContact CD2-CB 4.15Å; L75-V80 HydrophobicContact CB-CG2 4.13Å; L75-I83 HydrophobicContact CD1-CD1 4.12Å; L75-L111 HydrophobicContact CD1-CD2 3.74Å; L75-L111 HydrophobicContact CD2-CD2 3.96Å; L75-L111 HydrophobicContact CG-CD2 4.41Å; L75-I114 HydrophobicContact CD2-CD1 4.08Å; L75-I114 HydrophobicContact CD2-CG2 3.87Å
76E91.2Very high94.2Very high82 Ų8273.6 Ų73.638%0.38337%0.371SS..  trans-83.9158173.1-59.6177.7-160.700110.8N78 D79 V80 R121E76-N78 PolarHBondContact O-N 3.43Å; E76-N78 VanDerWaalsContact O-N 3.12Å; E76-D79 WeakPolarHBondContact CB-OD2 3.35Å; E76-D79 PolarHBondContact N-OD2 2.88Å; E76-D79 WeakPolarHBondContact O-CB 3.41Å; E76-D79 PolarHBondContact O-N 3.48Å; E76-V80 VanDerWaalsContact O-CG2 3.27Å; E76-V80 WeakPolarHBondContact O-CG2 3.19Å; E76-V80 PolarHBondContact O-N 3.28Å; E76-V80 VanDerWaalsContact O-N 3.16Å; E76-R121 IonicContact OE1-CZ 3.75Å; E76-R121 IonicContact OE1-NH1 3.82Å; E76-R121 PolarHBondContact OE1-NH1 2.97Å; E76-R121 IonicContact OE1-NH2 2.89Å; E76-R121 PolarHBondContact OE1-NH2 3.34Å
77D92.5Very high94.2Very high130 Ų13068 Ų6870%0.69534%0.342SS*.Hα-helixtrans-58.6-29.5-179.5-68.9-20.5000113.3S81D77-S81 PolarHBondContact O-N 3.49Å; D77-S81 VanDerWaalsContact O-N 3.09Å
78N93.1Very high94.2Very high113 Ų11366.9 Ų66.960%0.60435%0.346SS*.Hα-helixtrans-66.9-44.3175.4-67-46.5000111.4E76 V80 S81 D82E76-N78 PolarHBondContact O-N 3.43Å; E76-N78 VanDerWaalsContact O-N 3.12Å; N78-V80 VanDerWaalsContact C-N 3.29Å; N78-V80 PolarHBondContact O-N 3.23Å; N78-S81 WeakPolarHBondContact O-CB 3.48Å; N78-S81 PolarHBondContact O-N 2.8Å; N78-D82 PolarHBondContact O-N 3.19Å
79D93.4Very high94.2Very high25 Ų2566 Ų6613%0.13434%0.344CS..Hα-helixtrans-61.6-42.6179.6-55.7-36000110.5L75 E76 D82 I83 I114L75-D79 HydrophobicContact CD2-CB 4.15Å; E76-D79 WeakPolarHBondContact CB-OD2 3.35Å; E76-D79 PolarHBondContact N-OD2 2.88Å; E76-D79 WeakPolarHBondContact O-CB 3.41Å; E76-D79 PolarHBondContact O-N 3.48Å; D79-D82 PolarHBondContact O-N 2.82Å; D79-D82 VanDerWaalsContact O-N 3.13Å; D79-I83 WeakPolarHBondContact O-CG1 3.37Å; D79-I83 PolarHBondContact O-N 2.92Å; D79-I114 HydrophobicContact CB-CD1 3.93Å
80V94.4Very high94.3Very high18 Ų1866.1 Ų66.111%0.10934%0.344CS..Hα-helixtrans-62.4-44.6178.3175.70000110.9I69 Q72 L75 E76 N78 D82 I83 L84I69-V80 HydrophobicContact CD1-CB 4.49Å; I69-V80 HydrophobicContact CD1-CG1 3.57Å; Q72-V80 HydrophobicContact CG-CG2 4.5Å; L75-V80 HydrophobicContact CB-CG2 4.13Å; E76-V80 VanDerWaalsContact O-CG2 3.27Å; E76-V80 WeakPolarHBondContact O-CG2 3.19Å; E76-V80 PolarHBondContact O-N 3.28Å; E76-V80 VanDerWaalsContact O-N 3.16Å; N78-V80 VanDerWaalsContact C-N 3.29Å; N78-V80 PolarHBondContact O-N 3.23Å; V80-D82 VanDerWaalsContact C-N 3.29Å; V80-D82 PolarHBondContact O-N 3.12Å; V80-I83 PolarHBondContact O-N 3.39Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 3.46Å
81S95.6Very high94.4Very high45 Ų4559.5 Ų59.532%0.31532%0.316SS..Hα-helixtrans-59.4-41173.6144.80000111.4D77 N78 L84 K85D77-S81 PolarHBondContact O-N 3.49Å; D77-S81 VanDerWaalsContact O-N 3.09Å; N78-S81 WeakPolarHBondContact O-CB 3.48Å; N78-S81 PolarHBondContact O-N 2.8Å; S81-L84 PolarHBondContact O-N 2.9Å; S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.05Å; S81-K85 VanDerWaalsContact OG-CE 3.3Å; S81-K85 WeakPolarHBondContact OG-CE 3.37Å; S81-K85 PolarHBondContact OG-NZ 3.33Å; S81-K85 VanDerWaalsContact OG-NZ 3.17Å
82D95.2Very high94.4Very high69 Ų6963.9 Ų63.937%0.36933%0.33SS..Hα-helixtrans-72.6-36.1-179.1-71.2-10.9000112.4N78 D79 V80 L84 K85 L86N78-D82 PolarHBondContact O-N 3.19Å; D79-D82 PolarHBondContact O-N 2.82Å; D79-D82 VanDerWaalsContact O-N 3.13Å; V80-D82 VanDerWaalsContact C-N 3.29Å; V80-D82 PolarHBondContact O-N 3.12Å; D82-L84 VanDerWaalsContact C-N 3.35Å; D82-K85 PolarHBondContact O-N 3.02Å; D82-K85 IonicContact OD1-NZ 2.83Å; D82-K85 PolarHBondContact OD1-NZ 3.34Å; D82-L86 WeakPolarHBondContact O-CB 3.33Å; D82-L86 PolarHBondContact O-N 2.82Å
83I96Very high94.4Very high0 Ų066.4 Ų66.40%034%0.342CS..Hα-helixtrans-60.1-44.6169.4-68.2165.9000110.5I69 L75 D79 V80 K85 L86 L87 V107 K110 L111 I114I69-I83 HydrophobicContact CD1-CG2 4.23Å; L75-I83 HydrophobicContact CD1-CD1 4.12Å; D79-I83 WeakPolarHBondContact O-CG1 3.37Å; D79-I83 PolarHBondContact O-N 2.92Å; V80-I83 PolarHBondContact O-N 3.39Å; I83-K85 PolarHBondContact O-N 3.45Å; I83-L86 WeakPolarHBondContact O-CB 3.41Å; I83-L86 PolarHBondContact O-N 2.96Å; I83-L87 HydrophobicContact CG2-CD1 4.08Å; I83-L87 HydrophobicContact CG2-CG 4.44Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 3.17Å; I83-V107 HydrophobicContact CG2-CG1 4.08Å; I83-V107 HydrophobicContact CG2-CG2 3.83Å; I83-K110 HydrophobicContact CG1-CG 3.99Å; I83-L111 HydrophobicContact CD1-CD2 3.89Å; I83-I114 HydrophobicContact CD1-CD1 4.13Å; I83-I114 HydrophobicContact CG1-CD1 4.37Å
84L95.9Very high94.5Very high67 Ų6762.4 Ų62.435%0.35132%0.324SS..Hα-helixtrans-63.7-39.2177.6-73.5172.7000112.6Y67 I69 V80 S81 D82 L87 A88Y67-L84 HydrophobicContact CD2-CD2 4.26Å; Y67-L84 HydrophobicContact CE2-CD2 4.38Å; I69-L84 HydrophobicContact CD1-CD2 4.04Å; I69-L84 HydrophobicContact CD1-CG 3.92Å; I69-L84 HydrophobicContact CG1-CD2 4.24Å; V80-L84 WeakPolarHBondContact O-CG 3.48Å; V80-L84 PolarHBondContact O-N 3.46Å; S81-L84 PolarHBondContact O-N 2.9Å; D82-L84 VanDerWaalsContact C-N 3.35Å; L84-L87 HydrophobicContact CD2-CD1 4.48Å; L84-L87 PolarHBondContact O-N 3.22Å; L84-A88 WeakPolarHBondContact O-CB 3.41Å; L84-A88 PolarHBondContact O-N 3.26Å
85K96.2Very high94.7Very high125 Ų12561.6 Ų61.654%0.54332%0.319SS..Hα-helixtrans-64.8-41.3174.1-69169.6-159.1155.10111.6S81 D82 I83 A88 L89S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.05Å; S81-K85 VanDerWaalsContact OG-CE 3.3Å; S81-K85 WeakPolarHBondContact OG-CE 3.37Å; S81-K85 PolarHBondContact OG-NZ 3.33Å; S81-K85 VanDerWaalsContact OG-NZ 3.17Å; D82-K85 PolarHBondContact O-N 3.02Å; D82-K85 IonicContact OD1-NZ 2.83Å; D82-K85 PolarHBondContact OD1-NZ 3.34Å; I83-K85 PolarHBondContact O-N 3.45Å; K85-A88 PolarHBondContact O-N 2.88Å; K85-L89 PolarHBondContact O-N 2.88Å; K85-L89 VanDerWaalsContact O-N 3.09Å
86L96.2Very high94.7Very high44 Ų4462.9 Ų62.923%0.2334%0.337CS..Hα-helixtrans-61.2-47.7176.217664.8000111D82 I83 A88 L89 Q90 A106 K110D82-L86 WeakPolarHBondContact O-CB 3.33Å; D82-L86 PolarHBondContact O-N 2.82Å; I83-L86 WeakPolarHBondContact O-CB 3.41Å; I83-L86 PolarHBondContact O-N 2.96Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.33Å; L86-L89 PolarHBondContact O-N 3Å; L86-Q90 HydrophobicContact CD1-CG 4.14Å; L86-Q90 HydrophobicContact CG-CG 4.47Å; L86-Q90 WeakPolarHBondContact O-CB 3.36Å; L86-Q90 WeakPolarHBondContact O-CG 3.22Å; L86-Q90 PolarHBondContact O-N 3.45Å; L86-A106 HydrophobicContact CD2-CB 4.24Å; L86-A106 WeakPolarHBondContact CD2-O 3.37Å; L86-A106 HydrophobicContact CG-CB 4.44Å; L86-K110 HydrophobicContact CD2-CB 3.7Å; L86-K110 HydrophobicContact CD2-CD 4.29Å; L86-K110 HydrophobicContact CD2-CG 4.05Å
87L96.3Very high94.8Very high1 Ų163.8 Ų63.81%0.00534%0.342CS..Hα-helixtrans-58.7-42.1176.1-75.4171.5000111.8L52 Y67 I83 L84 Q90 A91 L103 V107L52-L87 HydrophobicContact CD2-CD1 4.27Å; Y67-L87 HydrophobicContact CD2-CB 4.17Å; Y67-L87 HydrophobicContact CD2-CD1 4.08Å; Y67-L87 HydrophobicContact CE2-CB 3.97Å; I83-L87 HydrophobicContact CG2-CD1 4.08Å; I83-L87 HydrophobicContact CG2-CG 4.44Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 3.17Å; L84-L87 HydrophobicContact CD2-CD1 4.48Å; L84-L87 PolarHBondContact O-N 3.22Å; L87-Q90 PolarHBondContact O-N 2.81Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 2.97Å; L87-L103 HydrophobicContact CD2-CB 3.72Å; L87-L103 HydrophobicContact CD2-CD1 4.49Å; L87-L103 HydrophobicContact CD2-CD2 3.75Å; L87-L103 HydrophobicContact CD2-CG 4.17Å; L87-V107 HydrophobicContact CD1-CG2 4.19Å; L87-V107 HydrophobicContact CD2-CG2 3.58Å; L87-V107 HydrophobicContact CG-CG2 3.88Å
88A95.6Very high94.9Very high41 Ų4160.2 Ų60.234%0.33933%0.325SS..Hα-helixtrans-61.7-45.3177.500000112.5Y67 L84 K85 L86 E92Y67-A88 VanDerWaalsContact OH-CA 3.26Å; Y67-A88 WeakPolarHBondContact OH-CA 3.24Å; Y67-A88 WeakPolarHBondContact OH-CB 3.47Å; L84-A88 WeakPolarHBondContact O-CB 3.41Å; L84-A88 PolarHBondContact O-N 3.26Å; K85-A88 PolarHBondContact O-N 2.88Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.33Å; A88-E92 PolarHBondContact O-N 2.95Å; A88-E92 VanDerWaalsContact O-N 3.13Å
89L96.3Very high95Very high88 Ų8854.8 Ų54.846%0.46130%0.296SS..Hα-helixtrans-63.7-48.4177.1-175.370.4000111.3K85 L86 A91 E92 E93K85-L89 PolarHBondContact O-N 2.88Å; K85-L89 VanDerWaalsContact O-N 3.09Å; L86-L89 PolarHBondContact O-N 3Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 3.4Å; L89-E92 PolarHBondContact O-N 3.41Å; L89-E93 WeakPolarHBondContact O-CG 3.46Å; L89-E93 PolarHBondContact O-N 2.87Å
90Q95.8Very high95.2Very high38 Ų3853.6 Ų53.618%0.17829%0.29CS..Hα-helixtrans-64.6-36.8-179.9-71.8-59-6000112.3L86 L87 E93 N94 L103 A106L86-Q90 HydrophobicContact CD1-CG 4.14Å; L86-Q90 HydrophobicContact CG-CG 4.47Å; L86-Q90 WeakPolarHBondContact O-CB 3.36Å; L86-Q90 WeakPolarHBondContact O-CG 3.22Å; L86-Q90 PolarHBondContact O-N 3.45Å; L87-Q90 PolarHBondContact O-N 2.81Å; Q90-E93 PolarHBondContact NE2-OE2 3.08Å; Q90-N94 WeakPolarHBondContact O-CB 3.5Å; Q90-N94 PolarHBondContact O-N 3.5Å; Q90-N94 PolarHBondContact O-ND2 2.97Å; Q90-L103 HydrophobicContact CB-CD2 3.63Å; Q90-A106 HydrophobicContact CG-CB 3.98Å
91A95.5Very high95.3Very high2 Ų257.6 Ų57.62%0.01731%0.306CS..Hα-helixtrans-67-38.8176.600000112.2A64 Y67 L87 L89 L95 M99 L103A64-A91 HydrophobicContact CB-CB 4.21Å; Y67-A91 HydrophobicContact CE1-CB 4.24Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 2.97Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 3.4Å; A91-L95 WeakPolarHBondContact O-CG 2.99Å; A91-L95 PolarHBondContact O-N 3.41Å; A91-M99 HydrophobicContact CB-SD 4.02Å; A91-L103 HydrophobicContact CB-CD2 4.27Å
92E95.1Very high95.3Very high146 Ų14657.4 Ų57.468%0.68230%0.303SS*.Hα-helixtrans-68.1-40.4177.5-173.1173.2-17500112A88 L89 N94A88-E92 PolarHBondContact O-N 2.95Å; A88-E92 VanDerWaalsContact O-N 3.13Å; L89-E92 PolarHBondContact O-N 3.41Å; E92-N94 VanDerWaalsContact C-N 3.31Å; E92-N94 PolarHBondContact O-N 3.13Å
93E94.9Very high95.4Very high128 Ų12854.1 Ų54.160%0.59829%0.285SS*.Hα-helixtrans-68.8-27.6179.1-72.2-179.3168.700113.4L89 Q90L89-E93 WeakPolarHBondContact O-CG 3.46Å; L89-E93 PolarHBondContact O-N 2.87Å; Q90-E93 PolarHBondContact NE2-OE2 3.08Å
94N94.1Very high95.4Very high28 Ų2854.2 Ų54.215%0.1529%0.286CS..THydrogen-bonded Turntrans-105.316.6-175.1-67.9-84.2000113.8Q90 E92 M97 M99Q90-N94 WeakPolarHBondContact O-CB 3.5Å; Q90-N94 PolarHBondContact O-N 3.5Å; Q90-N94 PolarHBondContact O-ND2 2.97Å; E92-N94 VanDerWaalsContact C-N 3.31Å; E92-N94 PolarHBondContact O-N 3.13Å; N94-M97 HydrophobicContact CB-CG 4.47Å; N94-M97 WeakPolarHBondContact O-CG 3.31Å; N94-M97 PolarHBondContact O-N 2.87Å; N94-M99 HydrophobicContact CB-CB 3.81Å; N94-M99 WeakPolarHBondContact O-CE 3.29Å
95L94.5Very high95.4Very high85 Ų8553.3 Ų53.345%0.44528%0.283SS..THydrogen-bonded Turntrans-58.6139174.7-72.1174.3000112.1A64 A91 M99A64-L95 HydrophobicContact CB-CD2 4.09Å; A91-L95 WeakPolarHBondContact O-CG 2.99Å; A91-L95 PolarHBondContact O-N 3.41Å; L95-M99 HydrophobicContact CD2-CE 4.26Å
96G91.7Very high95.5Very high45 Ų4547.9 Ų47.946%0.46426%0.261SS..THydrogen-bonded Turntrans88.63.3-179.300000114.5P61P61-G96 PolarHBondContact O-N 2.78Å
97M93.1Very high95.5Very high101 Ų10145.8 Ų45.850%0.49825%0.251SS..SBendtrans-142.1153.917059.9179.9-77.100111.5P61 N94 M99P61-M97 VanDerWaalsContact CB-O 3.24Å; P61-M97 WeakPolarHBondContact CB-O 3.48Å; N94-M97 HydrophobicContact CB-CG 4.47Å; N94-M97 WeakPolarHBondContact O-CG 3.31Å; N94-M97 PolarHBondContact O-N 2.87Å; M97-M99 PolarHBondContact O-N 2.84Å
98V94.6Very high95.4Very high55 Ų5548.4 Ų48.433%0.33326%0.263SS..  trans-56.3131.2173.6-62.60000109.8E7 E11 Y60 P61E7-V98 HydrophobicContact CB-CG1 4.4Å; E11-V98 HydrophobicContact CB-CB 4.36Å; E11-V98 HydrophobicContact CB-CG1 4.14Å; E11-V98 HydrophobicContact CG-CB 4.1Å; E11-V98 HydrophobicContact CG-CG1 4.42Å; E11-V98 WeakPolarHBondContact OE1-CB 3.45Å; Y60-V98 HydrophobicContact CE1-CG1 4.35Å; Y60-V98 WeakPolarHBondContact OH-CA 3.24Å; P61-V98 HydrophobicContact CG-CG1 4.35Å
99M95.6Very high95.4Very high0 Ų052.5 Ų52.50%028%0.275CS..  trans-136-2.9-163.370.7-178.279.500113.6E11 Y60 P65 A91 N94 L95 M97 F101 T102 L103E11-M99 PolarHBondContact OE1-N 3.44Å; Y60-M99 HydrophobicContact CE2-CE 4.05Å; Y60-M99 HydrophobicContact CE2-CG 3.93Å; Y60-M99 HydrophobicContact CE2-SD 4.38Å; Y60-M99 PolarHBondContact OH-N 3.22Å; P65-M99 HydrophobicContact CG-SD 4.42Å; A91-M99 HydrophobicContact CB-SD 4.02Å; N94-M99 HydrophobicContact CB-CB 3.81Å; N94-M99 WeakPolarHBondContact O-CE 3.29Å; L95-M99 HydrophobicContact CD2-CE 4.26Å; M97-M99 PolarHBondContact O-N 2.84Å; M99-F101 VanDerWaalsContact C-N 3.32Å; M99-F101 PolarHBondContact O-N 3.31Å; M99-T102 WeakPolarHBondContact O-CB 3.23Å; M99-T102 PolarHBondContact O-N 2.88Å; M99-T102 VanDerWaalsContact O-N 3.12Å; M99-L103 HydrophobicContact CG-CD1 4.09Å; M99-L103 HydrophobicContact CG-CG 4.38Å; M99-L103 VanDerWaalsContact O-CG 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.31Å; M99-L103 PolarHBondContact O-N 2.92Å; M99-L103 HydrophobicContact SD-CD1 4.38Å
100I96.5Very high95.4Very high0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-63-43.1-175.4-59-63.7000110.7E11 L15 F33 I35 F54 Y56 P65 T102 L103 V104E11-I100 VanDerWaalsContact OE1-CB 3.29Å; E11-I100 WeakPolarHBondContact OE1-CB 3.32Å; E11-I100 WeakPolarHBondContact OE1-CG1 3.33Å; E11-I100 PolarHBondContact OE1-N 3.38Å; E11-I100 VanDerWaalsContact OE2-CG1 3.28Å; E11-I100 WeakPolarHBondContact OE2-CG1 3.47Å; L15-I100 HydrophobicContact CD1-CB 3.84Å; L15-I100 HydrophobicContact CD1-CG1 4.34Å; L15-I100 HydrophobicContact CD1-CG2 3.56Å; L15-I100 HydrophobicContact CD2-CB 4.43Å; L15-I100 HydrophobicContact CD2-CG2 4.05Å; L15-I100 HydrophobicContact CG-CG2 4.47Å; F33-I100 HydrophobicContact CE2-CG2 3.93Å; F33-I100 HydrophobicContact CZ-CD1 4.24Å; F33-I100 HydrophobicContact CZ-CG1 4.09Å; F33-I100 HydrophobicContact CZ-CG2 4.04Å; I35-I100 HydrophobicContact CD1-CG2 3.92Å; F54-I100 HydrophobicContact CB-CD1 4.06Å; F54-I100 HydrophobicContact CD1-CD1 3.68Å; F54-I100 HydrophobicContact CD2-CD1 4.39Å; F54-I100 HydrophobicContact CD2-CG2 4Å; F54-I100 HydrophobicContact CE1-CD1 4.2Å; F54-I100 HydrophobicContact CE2-CG2 4.01Å; F54-I100 HydrophobicContact CG-CD1 3.79Å; F54-I100 HydrophobicContact CG-CG2 4.44Å; F54-I100 HydrophobicContact CZ-CG2 4.47Å; Y56-I100 HydrophobicContact CE1-CD1 4.04Å; Y56-I100 HydrophobicContact CE1-CG1 3.84Å; P65-I100 HydrophobicContact CB-CD1 4.22Å; P65-I100 HydrophobicContact CG-CD1 3.87Å; I100-T102 VanDerWaalsContact C-N 3.31Å; I100-T102 PolarHBondContact O-N 3.43Å; I100-L103 PolarHBondContact O-N 3.02Å; I100-V104 HydrophobicContact CG2-CG2 4.31Å; I100-V104 WeakPolarHBondContact O-CB 3.49Å; I100-V104 VanDerWaalsContact O-CG2 3.3Å; I100-V104 WeakPolarHBondContact O-CG2 3.46Å; I100-V104 PolarHBondContact O-N 3.44Å
101F96.5Very high95.4Very high101 Ų10148.6 Ų48.644%0.44325%0.254SS..Hα-helixtrans-59.5-42.4175.1-179.6-95.2000112L15 I18 Y19 M99 V104 T105L15-F101 HydrophobicContact CD2-CB 4.44Å; I18-F101 HydrophobicContact CD1-CD2 4.05Å; I18-F101 HydrophobicContact CD1-CE2 4.35Å; I18-F101 HydrophobicContact CG2-CE2 4.27Å; Y19-F101 HydrophobicContact CE2-CD2 4.29Å; Y19-F101 WeakPolarHBondContact OH-CE2 3.39Å; M99-F101 VanDerWaalsContact C-N 3.32Å; M99-F101 PolarHBondContact O-N 3.31Å; F101-V104 PolarHBondContact O-N 2.85Å; F101-T105 WeakPolarHBondContact O-CB 3.5Å; F101-T105 PolarHBondContact O-N 3.49Å; F101-T105 PolarHBondContact O-OG1 2.61Å
102T96.1Very high95.3Very high41 Ų4149.9 Ų49.925%0.25226%0.26SS..Hα-helixtrans-62-46.3176.9-52.20000111.3M99 I100 T105 A106M99-T102 WeakPolarHBondContact O-CB 3.23Å; M99-T102 PolarHBondContact O-N 2.88Å; M99-T102 VanDerWaalsContact O-N 3.12Å; I100-T102 VanDerWaalsContact C-N 3.31Å; I100-T102 PolarHBondContact O-N 3.43Å; T102-T105 PolarHBondContact O-N 2.93Å; T102-A106 WeakPolarHBondContact O-CB 3.47Å; T102-A106 PolarHBondContact O-N 2.8Å
103L96.9Very high95.2Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-61-48.2177.4-67.5177.4000111.3F54 P65 L87 Q90 A91 M99 I100 T105 A106 V107F54-L103 HydrophobicContact CE1-CB 4.39Å; F54-L103 HydrophobicContact CE1-CD1 3.85Å; F54-L103 HydrophobicContact CZ-CB 4.29Å; P65-L103 HydrophobicContact CG-CD1 4.25Å; L87-L103 HydrophobicContact CD2-CB 3.72Å; L87-L103 HydrophobicContact CD2-CD1 4.49Å; L87-L103 HydrophobicContact CD2-CD2 3.75Å; L87-L103 HydrophobicContact CD2-CG 4.17Å; Q90-L103 HydrophobicContact CB-CD2 3.63Å; A91-L103 HydrophobicContact CB-CD2 4.27Å; M99-L103 HydrophobicContact CG-CD1 4.09Å; M99-L103 HydrophobicContact CG-CG 4.38Å; M99-L103 VanDerWaalsContact O-CG 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.31Å; M99-L103 PolarHBondContact O-N 2.92Å; M99-L103 HydrophobicContact SD-CD1 4.38Å; I100-L103 PolarHBondContact O-N 3.02Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 2.89Å; L103-A106 PolarHBondContact O-N 2.96Å; L103-V107 WeakPolarHBondContact O-CG2 3.47Å; L103-V107 PolarHBondContact O-N 3.26Å
104V96.5Very high95Very high3 Ų341.6 Ų41.62%0.01822%0.222CC..Hα-helixtrans-60.4-42.6177.6170.90000111.2Y19 I35 V37 F54 I100 F101 V107 Q108Y19-V104 HydrophobicContact CE1-CG1 4.33Å; Y19-V104 HydrophobicContact CE2-CG1 4.29Å; Y19-V104 WeakPolarHBondContact OH-CG1 3.42Å; I35-V104 HydrophobicContact CB-CG2 4.33Å; I35-V104 HydrophobicContact CD1-CG2 3.82Å; I35-V104 HydrophobicContact CG2-CG1 4.2Å; I35-V104 HydrophobicContact CG2-CG2 4.1Å; V37-V104 HydrophobicContact CG2-CG1 3.89Å; F54-V104 HydrophobicContact CE2-CG2 3.96Å; F54-V104 HydrophobicContact CZ-CG2 4.26Å; I100-V104 HydrophobicContact CG2-CG2 4.31Å; I100-V104 WeakPolarHBondContact O-CB 3.49Å; I100-V104 VanDerWaalsContact O-CG2 3.3Å; I100-V104 WeakPolarHBondContact O-CG2 3.46Å; I100-V104 PolarHBondContact O-N 3.44Å; F101-V104 PolarHBondContact O-N 2.85Å; V104-V107 PolarHBondContact O-N 3.25Å; V104-Q108 WeakPolarHBondContact O-CB 3.13Å; V104-Q108 PolarHBondContact O-N 2.97Å
105T96.2Very high94.8Very high47 Ų4740.8 Ų40.829%0.28822%0.218SC..Hα-helixtrans-63.8-44.7177.8-56.40000111.5F101 T102 L103 V107 Q108 E109F101-T105 WeakPolarHBondContact O-CB 3.5Å; F101-T105 PolarHBondContact O-N 3.49Å; F101-T105 PolarHBondContact O-OG1 2.61Å; T102-T105 PolarHBondContact O-N 2.93Å; L103-T105 VanDerWaalsContact C-N 3.32Å; L103-T105 PolarHBondContact O-N 2.89Å; T105-V107 VanDerWaalsContact C-N 3.32Å; T105-V107 PolarHBondContact O-N 3.22Å; T105-Q108 WeakPolarHBondContact O-CB 3.31Å; T105-Q108 PolarHBondContact O-N 2.92Å; T105-E109 PolarHBondContact O-N 2.99Å
106A96.6Very high94.6Very high11 Ų1141.3 Ų41.39%0.09122%0.221CC..Hα-helixtrans-62-39.6176.700000112.1L86 Q90 T102 L103 K110L86-A106 HydrophobicContact CD2-CB 4.24Å; L86-A106 WeakPolarHBondContact CD2-O 3.37Å; L86-A106 HydrophobicContact CG-CB 4.44Å; Q90-A106 HydrophobicContact CG-CB 3.98Å; T102-A106 WeakPolarHBondContact O-CB 3.47Å; T102-A106 PolarHBondContact O-N 2.8Å; L103-A106 PolarHBondContact O-N 2.96Å; A106-K110 WeakPolarHBondContact O-CB 3.41Å; A106-K110 PolarHBondContact O-N 3.46Å
107V96.7Very high94.4Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-67.1-41.91741770000111.3T50 L52 I83 L87 L103 V104 T105 E109 K110 L111T50-V107 HydrophobicContact CG2-CG1 3.71Å; L52-V107 HydrophobicContact CD1-CB 4.07Å; L52-V107 HydrophobicContact CD1-CG1 4.14Å; L52-V107 HydrophobicContact CD1-CG2 3.82Å; I83-V107 HydrophobicContact CG2-CG1 4.08Å; I83-V107 HydrophobicContact CG2-CG2 3.83Å; L87-V107 HydrophobicContact CD1-CG2 4.19Å; L87-V107 HydrophobicContact CD2-CG2 3.58Å; L87-V107 HydrophobicContact CG-CG2 3.88Å; L103-V107 WeakPolarHBondContact O-CG2 3.47Å; L103-V107 PolarHBondContact O-N 3.26Å; V104-V107 PolarHBondContact O-N 3.25Å; T105-V107 VanDerWaalsContact C-N 3.32Å; T105-V107 PolarHBondContact O-N 3.22Å; V107-E109 VanDerWaalsContact C-N 3.35Å; V107-E109 PolarHBondContact O-N 2.99Å; V107-K110 PolarHBondContact O-N 3.33Å; V107-K110 VanDerWaalsContact O-N 3.12Å; V107-L111 HydrophobicContact CG1-CD1 4.13Å; V107-L111 HydrophobicContact CG1-CG 4.08Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.39Å; V107-L111 PolarHBondContact O-N 3.36Å
108Q95.5Very high94.1Very high57 Ų5741.5 Ų41.527%0.26621%0.209SC..Hα-helixtrans-56.9-47.3176.9-178.867.559.800111.7V37 T38 V104 T105 K110 L111 N112V37-Q108 HydrophobicContact CG1-CB 3.84Å; V37-Q108 HydrophobicContact CG1-CG 4.4Å; T38-Q108 PolarHBondContact O-NE2 3.43Å; T38-Q108 PolarHBondContact O-OE1 2.89Å; V104-Q108 WeakPolarHBondContact O-CB 3.13Å; V104-Q108 PolarHBondContact O-N 2.97Å; T105-Q108 WeakPolarHBondContact O-CB 3.31Å; T105-Q108 PolarHBondContact O-N 2.92Å; Q108-K110 VanDerWaalsContact C-N 3.33Å; Q108-K110 PolarHBondContact O-N 2.83Å; Q108-L111 PolarHBondContact O-N 2.98Å; Q108-N112 PolarHBondContact NE2-OD1 2.64Å; Q108-N112 PolarHBondContact O-N 3.01Å; Q108-N112 VanDerWaalsContact O-N 3.08Å
109E95.8Very high93.6Very high126 Ų12642 Ų4259%0.58921%0.207SC*.Hα-helixtrans-61.3-42.8175.4-70.2-177.1172.500111.3T105 V107 L111 N112 E113T105-E109 PolarHBondContact O-N 2.99Å; V107-E109 VanDerWaalsContact C-N 3.35Å; V107-E109 PolarHBondContact O-N 2.99Å; E109-L111 PolarHBondContact O-N 2.97Å; E109-N112 WeakPolarHBondContact O-CB 3.42Å; E109-N112 PolarHBondContact O-N 3.47Å; E109-E113 PolarHBondContact O-N 3.33Å
110K95.2Very high93.2Very high44 Ų4445.2 Ų45.219%0.19123%0.227CC..Hα-helixtrans-64.6-39.9179-170.767.7-157.3162.10112.9I83 L86 A106 V107 Q108 N112 E113 I114I83-K110 HydrophobicContact CG1-CG 3.99Å; L86-K110 HydrophobicContact CD2-CB 3.7Å; L86-K110 HydrophobicContact CD2-CD 4.29Å; L86-K110 HydrophobicContact CD2-CG 4.05Å; A106-K110 WeakPolarHBondContact O-CB 3.41Å; A106-K110 PolarHBondContact O-N 3.46Å; V107-K110 PolarHBondContact O-N 3.33Å; V107-K110 VanDerWaalsContact O-N 3.12Å; Q108-K110 VanDerWaalsContact C-N 3.33Å; Q108-K110 PolarHBondContact O-N 2.83Å; K110-N112 VanDerWaalsContact C-N 3.32Å; K110-E113 IonicContact NZ-OE2 3.49Å; K110-E113 PolarHBondContact NZ-OE2 2.91Å; K110-E113 WeakPolarHBondContact O-CB 3.4Å; K110-E113 PolarHBondContact O-N 2.98Å; K110-I114 HydrophobicContact CG-CD1 4.04Å; K110-I114 WeakPolarHBondContact O-CD1 3.41Å; K110-I114 VanDerWaalsContact O-CG1 3.26Å; K110-I114 WeakPolarHBondContact O-CG1 3.49Å; K110-I114 PolarHBondContact O-N 3.25Å
111L95.4Very high92.7Very high0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-62.6-40.6174.8-70.7179.8000111.5V37 V48 T50 L75 I83 V107 Q108 E109 I114 V115V37-L111 HydrophobicContact CB-CD1 4Å; V37-L111 HydrophobicContact CG1-CD1 3.74Å; V48-L111 HydrophobicContact CG2-CB 3.83Å; V48-L111 HydrophobicContact CG2-CD2 3.83Å; V48-L111 HydrophobicContact CG2-CG 4.32Å; V48-L111 WeakPolarHBondContact CG2-O 3.27Å; T50-L111 HydrophobicContact CG2-CD1 3.91Å; T50-L111 HydrophobicContact CG2-CD2 4.3Å; L75-L111 HydrophobicContact CD1-CD2 3.74Å; L75-L111 HydrophobicContact CD2-CD2 3.96Å; L75-L111 HydrophobicContact CG-CD2 4.41Å; I83-L111 HydrophobicContact CD1-CD2 3.89Å; V107-L111 HydrophobicContact CG1-CD1 4.13Å; V107-L111 HydrophobicContact CG1-CG 4.08Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.39Å; V107-L111 PolarHBondContact O-N 3.36Å; Q108-L111 PolarHBondContact O-N 2.98Å; E109-L111 PolarHBondContact O-N 2.97Å; L111-I114 PolarHBondContact O-N 3.46Å; L111-V115 PolarHBondContact O-N 3.19Å
112N93.3Very high92.2Very high30 Ų3051.6 Ų51.616%0.1625%0.248CC..Hα-helixtrans-62.4-41.3174.7-71.2-6.6000111.6S39 E40 Q108 E109 K110 I114 V115 D116S39-N112 VanDerWaalsContact CA-OD1 3.31Å; S39-N112 WeakPolarHBondContact CA-OD1 3.34Å; S39-N112 WeakPolarHBondContact CB-OD1 3.3Å; E40-N112 PolarHBondContact N-OD1 3.32Å; E40-N112 PolarHBondContact OE1-ND2 3.18Å; Q108-N112 PolarHBondContact NE2-OD1 2.64Å; Q108-N112 PolarHBondContact O-N 3.01Å; Q108-N112 VanDerWaalsContact O-N 3.08Å; E109-N112 WeakPolarHBondContact O-CB 3.42Å; E109-N112 PolarHBondContact O-N 3.47Å; K110-N112 VanDerWaalsContact C-N 3.32Å; N112-I114 PolarHBondContact O-N 3.39Å; N112-V115 WeakPolarHBondContact O-CG1 3.33Å; N112-D116 PolarHBondContact O-N 2.99Å
113E92.9Very high91.7Very high96 Ų9654.7 Ų54.745%0.44926%0.26SS..Hα-helixtrans-62.7-40.8173.2-69.2-176.5170.900112.7E109 K110 D116 Q117E109-E113 PolarHBondContact O-N 3.33Å; K110-E113 IonicContact NZ-OE2 3.49Å; K110-E113 PolarHBondContact NZ-OE2 2.91Å; K110-E113 WeakPolarHBondContact O-CB 3.4Å; K110-E113 PolarHBondContact O-N 2.98Å; E113-D116 PolarHBondContact O-N 3.38Å; E113-Q117 VanDerWaalsContact O-CG 3.31Å; E113-Q117 WeakPolarHBondContact O-CG 3.29Å; E113-Q117 PolarHBondContact O-N 3.45Å
114I92Very high91.3Very high3 Ų360.7 Ų60.72%0.01529%0.288CS..Hα-helixtrans-66.4-45.2-178.4-68.8158.3000110.4L75 D79 I83 K110 L111 N112 D116 Q117 I118L75-I114 HydrophobicContact CD2-CD1 4.08Å; L75-I114 HydrophobicContact CD2-CG2 3.87Å; D79-I114 HydrophobicContact CB-CD1 3.93Å; I83-I114 HydrophobicContact CD1-CD1 4.13Å; I83-I114 HydrophobicContact CG1-CD1 4.37Å; K110-I114 HydrophobicContact CG-CD1 4.04Å; K110-I114 WeakPolarHBondContact O-CD1 3.41Å; K110-I114 VanDerWaalsContact O-CG1 3.26Å; K110-I114 WeakPolarHBondContact O-CG1 3.49Å; K110-I114 PolarHBondContact O-N 3.25Å; L111-I114 PolarHBondContact O-N 3.46Å; N112-I114 PolarHBondContact O-N 3.39Å; I114-D116 VanDerWaalsContact C-N 3.29Å; I114-D116 PolarHBondContact O-N 3.42Å; I114-Q117 PolarHBondContact O-N 2.92Å; I114-I118 HydrophobicContact CG2-CD1 3.74Å; I114-I118 HydrophobicContact CG2-CG1 4.31Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.46Å; I114-I118 PolarHBondContact O-N 2.99Å
115V90.2Very high90.9Very high11 Ų1166.2 Ų66.27%0.06731%0.313CS..Hα-helixtrans-62-38.2177.566.20000111.6V48 L111 N112 I118 K119V48-V115 HydrophobicContact CG1-CB 4.48Å; V48-V115 HydrophobicContact CG2-CB 4.33Å; L111-V115 PolarHBondContact O-N 3.19Å; N112-V115 WeakPolarHBondContact O-CG1 3.33Å; V115-I118 PolarHBondContact O-N 3.29Å; V115-K119 WeakPolarHBondContact O-CB 3.43Å; V115-K119 PolarHBondContact O-N 3Å
116D89.2Confident90.6Very high97 Ų9770.5 Ų70.552%0.51933%0.328SS..Hα-helixtrans-65.3-38.7174.9-77.8-19.3000112.5N112 E113 I114 K119 T120N112-D116 PolarHBondContact O-N 2.99Å; E113-D116 PolarHBondContact O-N 3.38Å; I114-D116 VanDerWaalsContact C-N 3.29Å; I114-D116 PolarHBondContact O-N 3.42Å; D116-K119 WeakPolarHBondContact O-CB 3.37Å; D116-K119 PolarHBondContact O-N 3.03Å; D116-T120 PolarHBondContact O-N 2.84Å; D116-T120 PolarHBondContact O-OG1 2.9Å
117Q88.7Confident90.2Very high114 Ų11477.2 Ų77.253%0.53336%0.355SS..Hα-helixtrans-67.6-42.4175.3-73.9177.617.600112E113 I114 K119 T120 R121E113-Q117 VanDerWaalsContact O-CG 3.31Å; E113-Q117 WeakPolarHBondContact O-CG 3.29Å; E113-Q117 PolarHBondContact O-N 3.45Å; I114-Q117 PolarHBondContact O-N 2.92Å; Q117-K119 VanDerWaalsContact C-N 3.3Å; Q117-K119 PolarHBondContact O-N 3.26Å; Q117-T120 PolarHBondContact O-N 2.78Å; Q117-R121 WeakPolarHBondContact O-CB 3.02Å; Q117-R121 PolarHBondContact O-N 2.91Å
118I86.6Confident89.8Confident35 Ų3582.7 Ų82.718%0.17938%0.381CS..Hα-helixtrans-59.5-45.1175.6-69.4167.5000110V48 I114 V115 R121 R122V48-I118 HydrophobicContact CG1-CD1 3.98Å; I114-I118 HydrophobicContact CG2-CD1 3.74Å; I114-I118 HydrophobicContact CG2-CG1 4.31Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.46Å; I114-I118 PolarHBondContact O-N 2.99Å; V115-I118 PolarHBondContact O-N 3.29Å; I118-R121 PolarHBondContact O-N 2.84Å; I118-R122 WeakPolarHBondContact O-CB 3.5Å; I118-R122 PolarHBondContact O-N 2.85Å
119K84.5Confident89.4Confident65 Ų6587.4 Ų87.428%0.28340%0.4SS..Hα-helixtrans-56.9-52.6175.4179.4-174.5177.3-178.30111.3E43 V115 D116 Q117 R121 R122 E123E43-K119 VanDerWaalsContact OE2-CE 3.22Å; E43-K119 WeakPolarHBondContact OE2-CE 3.27Å; E43-K119 IonicContact OE2-NZ 2.79Å; E43-K119 PolarHBondContact OE2-NZ 3.41Å; V115-K119 WeakPolarHBondContact O-CB 3.43Å; V115-K119 PolarHBondContact O-N 3Å; D116-K119 WeakPolarHBondContact O-CB 3.37Å; D116-K119 PolarHBondContact O-N 3.03Å; Q117-K119 VanDerWaalsContact C-N 3.3Å; Q117-K119 PolarHBondContact O-N 3.26Å; K119-R121 PolarHBondContact O-N 3.22Å; K119-R122 PolarHBondContact O-N 2.92Å; K119-E123 WeakPolarHBondContact CE-OE1 3.16Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 3.24Å
120T86.4Confident89Confident69 Ų6986.6 Ų86.642%0.42340%0.397SS..Hα-helixtrans-58.6-47.7-178.3-56.60000111.2D116 Q117 R122 E123 E124D116-T120 PolarHBondContact O-N 2.84Å; D116-T120 PolarHBondContact O-OG1 2.9Å; Q117-T120 PolarHBondContact O-N 2.78Å; T120-R122 VanDerWaalsContact C-N 3.33Å; T120-R122 PolarHBondContact O-N 3.06Å; T120-E123 PolarHBondContact O-N 3.39Å; T120-E124 WeakPolarHBondContact O-CB 3.3Å; T120-E124 WeakPolarHBondContact O-CG 3.39Å; T120-E124 PolarHBondContact O-N 3.03Å
121R86.7Confident88.6Confident109 Ų10990.3 Ų90.341%0.41141%0.413SS..Hα-helixtrans-58.8-43.7177.6-176.8174.866.9-172.26.7111.7E76 Q117 I118 K119 E124 E125E76-R121 IonicContact OE1-CZ 3.75Å; E76-R121 IonicContact OE1-NH1 3.82Å; E76-R121 PolarHBondContact OE1-NH1 2.97Å; E76-R121 IonicContact OE1-NH2 2.89Å; E76-R121 PolarHBondContact OE1-NH2 3.34Å; Q117-R121 WeakPolarHBondContact O-CB 3.02Å; Q117-R121 PolarHBondContact O-N 2.91Å; I118-R121 PolarHBondContact O-N 2.84Å; K119-R121 PolarHBondContact O-N 3.22Å; R121-E124 PolarHBondContact O-N 2.8Å; R121-E125 WeakPolarHBondContact O-CB 3.21Å; R121-E125 WeakPolarHBondContact O-CG 3.26Å; R121-E125 PolarHBondContact O-N 3.38Å
122R85.5Confident88.1Confident125 Ų12595.4 Ų95.447%0.47244%0.436SS..Hα-helixtrans-66.3-41.1-179.8-165.1-176.2-147.1132.7-1.7112.7E46 I118 K119 T120 K126E46-R122 IonicContact OE1-CZ 2.64Å; E46-R122 IonicContact OE1-NH1 2.78Å; E46-R122 PolarHBondContact OE1-NH1 2.95Å; E46-R122 IonicContact OE1-NH2 3.38Å; E46-R122 IonicContact OE2-CZ 3.03Å; E46-R122 IonicContact OE2-NH1 2.77Å; E46-R122 PolarHBondContact OE2-NH1 3.36Å; I118-R122 WeakPolarHBondContact O-CB 3.5Å; I118-R122 PolarHBondContact O-N 2.85Å; K119-R122 PolarHBondContact O-N 2.92Å; T120-R122 VanDerWaalsContact C-N 3.33Å; T120-R122 PolarHBondContact O-N 3.06Å; R122-K126 WeakPolarHBondContact O-CB 3.36Å; R122-K126 PolarHBondContact O-N 2.98Å
123E85.7Confident87.8Confident107 Ų10796.3 Ų96.350%0.545%0.448SS..Hα-helixtrans-64.5-42.3175.7-73.5178.3-173.500111.5K119 T120 K126 K127K119-E123 WeakPolarHBondContact CE-OE1 3.16Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 3.24Å; T120-E123 PolarHBondContact O-N 3.39Å; E123-K126 PolarHBondContact O-N 2.88Å; E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 PolarHBondContact O-N 3.17Å
124E88.1Confident87.2Confident126 Ų12698 Ų9859%0.58946%0.456SS*.Hα-helixtrans-63.8-45.7176.3-73.2179.5167.600112.2T120 R121 K127 Q128T120-E124 WeakPolarHBondContact O-CB 3.3Å; T120-E124 WeakPolarHBondContact O-CG 3.39Å; T120-E124 PolarHBondContact O-N 3.03Å; R121-E124 PolarHBondContact O-N 2.8Å; E124-K127 PolarHBondContact O-N 2.85Å; E124-Q128 WeakPolarHBondContact O-CB 3.46Å; E124-Q128 PolarHBondContact O-N 2.99Å
125E88.8Confident86.7Confident118 Ų118102 Ų10255%0.55148%0.475SS*.Hα-helixtrans-62-43.2176.4-76.4176.7-178.300112.1R121 Q128 K129R121-E125 WeakPolarHBondContact O-CB 3.21Å; R121-E125 WeakPolarHBondContact O-CG 3.26Å; R121-E125 PolarHBondContact O-N 3.38Å; E125-Q128 PolarHBondContact O-N 3.42Å; E125-K129 WeakPolarHBondContact O-CB 3.31Å; E125-K129 PolarHBondContact O-N 2.84Å
126K88.5Confident86.2Confident137 Ų137104.2 Ų104.260%0.59649%0.494SS*.Hα-helixtrans-60.4-48.9175.7-178.2-178.1172.3-172.70110.7R122 E123 Q128 K129 E130R122-K126 WeakPolarHBondContact O-CB 3.36Å; R122-K126 PolarHBondContact O-N 2.98Å; E123-K126 PolarHBondContact O-N 2.88Å; K126-Q128 VanDerWaalsContact C-N 3.32Å; K126-Q128 PolarHBondContact O-N 3.18Å; K126-K129 PolarHBondContact O-N 2.85Å; K126-E130 WeakPolarHBondContact CE-OE1 3.34Å; K126-E130 WeakPolarHBondContact O-CG 3.3Å; K126-E130 PolarHBondContact O-N 3.49Å
127K89.6Confident85.7Confident153 Ų153106 Ų10667%0.66550%0.5SS*.Hα-helixtrans-62.6-38.6178.6-176.7178.6-179.6178.80112.2E123 E124 K131E123-K127 WeakPolarHBondContact O-CB 3.42Å; E123-K127 PolarHBondContact O-N 3.17Å; E124-K127 PolarHBondContact O-N 2.85Å; K127-K131 WeakPolarHBondContact O-CB 3.43Å; K127-K131 PolarHBondContact O-N 3.09Å
128Q86.8Confident85.1Confident114 Ų114107.8 Ų107.853%0.53351%0.505SS..Hα-helixtrans-65.2-45176.4-177.3175.2-17.500110.9E124 E125 K126 E130 K131 E132E124-Q128 WeakPolarHBondContact O-CB 3.46Å; E124-Q128 PolarHBondContact O-N 2.99Å; E125-Q128 PolarHBondContact O-N 3.42Å; K126-Q128 VanDerWaalsContact C-N 3.32Å; K126-Q128 PolarHBondContact O-N 3.18Å; Q128-E130 PolarHBondContact O-N 2.98Å; Q128-K131 PolarHBondContact O-N 3.42Å; Q128-E132 HydrophobicContact CG-CG 4.46Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.45Å; Q128-E132 PolarHBondContact NE2-OE1 3Å; Q128-E132 WeakPolarHBondContact O-CB 3.32Å; Q128-E132 WeakPolarHBondContact O-CG 3.46Å; Q128-E132 PolarHBondContact O-N 3.16Å
129K88.5Confident84.4Confident157 Ų157113.6 Ų113.668%0.68353%0.529SS*.Hα-helixtrans-63.8-40.3177.4-171.9177180-179.30112.4E125 K126 E132 A133E125-K129 WeakPolarHBondContact O-CB 3.31Å; E125-K129 PolarHBondContact O-N 2.84Å; K126-K129 PolarHBondContact O-N 2.85Å; K129-E132 PolarHBondContact O-N 3.01Å; K129-A133 WeakPolarHBondContact O-CB 3.4Å; K129-A133 PolarHBondContact O-N 3.12Å
130E86.7Confident83.6Confident109 Ų109117.6 Ų117.651%0.50955%0.553SS.*Hα-helixtrans-61.4-45173.6-74.8172.4179.600111.2K126 Q128 A133 E134K126-E130 WeakPolarHBondContact CE-OE1 3.34Å; K126-E130 WeakPolarHBondContact O-CG 3.3Å; K126-E130 PolarHBondContact O-N 3.49Å; Q128-E130 PolarHBondContact O-N 2.98Å; E130-A133 PolarHBondContact O-N 3.46Å; E130-E134 WeakPolarHBondContact O-CB 3.41Å; E130-E134 PolarHBondContact O-N 3.24Å
131K86.4Confident82.3Confident121 Ų121123.3 Ų123.353%0.52657%0.572SS.*Hα-helixtrans-64.4-42176.6-175.1-178.6173.9-1700112.6K127 Q128 A133 E134 E135K127-K131 WeakPolarHBondContact O-CB 3.43Å; K127-K131 PolarHBondContact O-N 3.09Å; Q128-K131 PolarHBondContact O-N 3.42Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-E134 PolarHBondContact O-N 3.3Å; K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 WeakPolarHBondContact O-CB 3.43Å; K131-E135 WeakPolarHBondContact O-CG 3.45Å; K131-E135 PolarHBondContact O-N 3.18Å
132E86Confident81Confident107 Ų107125.1 Ų125.150%0.559%0.585SS.*Hα-helixtrans-65-37.1176.7-74.4175.6-167.700111.7Q128 K129 A136Q128-E132 HydrophobicContact CG-CG 4.46Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.45Å; Q128-E132 PolarHBondContact NE2-OE1 3Å; Q128-E132 WeakPolarHBondContact O-CB 3.32Å; Q128-E132 WeakPolarHBondContact O-CG 3.46Å; Q128-E132 PolarHBondContact O-N 3.16Å; K129-E132 PolarHBondContact O-N 3.01Å; E132-A136 WeakPolarHBondContact O-CB 3.33Å; E132-A136 PolarHBondContact O-N 3.37Å
133A85.3Confident80.1Confident50 Ų50121.6 Ų121.641%0.41359%0.588SS.*Hα-helixtrans-66-46.6173.100000111.6K129 E130 K131 E135 A136 E137K129-A133 WeakPolarHBondContact O-CB 3.4Å; K129-A133 PolarHBondContact O-N 3.12Å; E130-A133 PolarHBondContact O-N 3.46Å; K131-A133 VanDerWaalsContact C-N 3.31Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.25Å; A133-A136 WeakPolarHBondContact O-CB 3.39Å; A133-A136 PolarHBondContact O-N 3.38Å; A133-A136 VanDerWaalsContact O-N 3.13Å; A133-E137 WeakPolarHBondContact O-CG 3.27Å; A133-E137 PolarHBondContact O-N 3.47Å
134E82Confident79.3Confident132 Ų132122 Ų12262%0.61760%0.598SS**Hα-helixtrans-60.2-41.5175.8-170.5-168.3160.400111.4E130 K131 A136 E137 K138E130-E134 WeakPolarHBondContact O-CB 3.41Å; E130-E134 PolarHBondContact O-N 3.24Å; K131-E134 PolarHBondContact O-N 3.3Å; E134-A136 PolarHBondContact O-N 2.91Å; E134-E137 PolarHBondContact O-N 3.08Å; E134-K138 VanDerWaalsContact O-CB 3.3Å; E134-K138 WeakPolarHBondContact O-CB 3.3Å; E134-K138 PolarHBondContact O-N 2.94Å
135E79.9Confident78.6Confident86 Ų86119.6 Ų119.640%0.40259%0.593SS.*Hα-helixtrans-66.4-35.7175.6-76-176-165.700112.5K131 A133 K139K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 WeakPolarHBondContact O-CB 3.43Å; K131-E135 WeakPolarHBondContact O-CG 3.45Å; K131-E135 PolarHBondContact O-N 3.18Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.25Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 VanDerWaalsContact O-CG 3.24Å; E135-K139 WeakPolarHBondContact O-CG 3.43Å; E135-K139 PolarHBondContact O-N 3.12Å
136A80.7Confident77.6Confident57 Ų57120.1 Ų120.147%0.47160%0.604SS.*Hα-helixtrans-68.6-42.3174.800000111.6E132 A133 E134 K139 L140E132-A136 WeakPolarHBondContact O-CB 3.33Å; E132-A136 PolarHBondContact O-N 3.37Å; A133-A136 WeakPolarHBondContact O-CB 3.39Å; A133-A136 PolarHBondContact O-N 3.38Å; A133-A136 VanDerWaalsContact O-N 3.13Å; E134-A136 PolarHBondContact O-N 2.91Å; A136-K139 PolarHBondContact O-N 2.92Å; A136-L140 PolarHBondContact O-N 2.9Å
137E78.4Confident77.3Confident136 Ų136116.5 Ų116.564%0.63659%0.594SS**Hα-helixtrans-63.2-43.4173.8-73.7-176.9175.500111.4A133 E134 K139 L140 F141A133-E137 WeakPolarHBondContact O-CG 3.27Å; A133-E137 PolarHBondContact O-N 3.47Å; E134-E137 PolarHBondContact O-N 3.08Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 3.38Å; E137-L140 CarbonylContact O-C 3.58Å; E137-L140 WeakPolarHBondContact O-CB 3.41Å; E137-L140 PolarHBondContact O-N 2.84Å; E137-L140 VanDerWaalsContact O-N 3.08Å; E137-F141 WeakPolarHBondContact O-CB 3.36Å; E137-F141 PolarHBondContact O-N 3.29Å
138K75.6Confident77Confident150 Ų150115.9 Ų115.965%0.65260%0.596SS**Hα-helixtrans-62.2-39.1176.1-172.5175.5-176.9173.90112.3E134 L140 F141 H142E134-K138 VanDerWaalsContact O-CB 3.3Å; E134-K138 WeakPolarHBondContact O-CB 3.3Å; E134-K138 PolarHBondContact O-N 2.94Å; K138-L140 VanDerWaalsContact C-N 3.3Å; K138-F141 PolarHBondContact O-N 3Å; K138-H142 WeakPolarHBondContact O-CB 3.3Å; K138-H142 PolarHBondContact O-N 3.42Å
139K73Confident76.9Confident157 Ų157117.7 Ų117.768%0.68361%0.605SS**Hα-helixtrans-66.9-31.8174.2-74.8168.3-172.1165.90112.2E135 A136 E137E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 VanDerWaalsContact O-CG 3.24Å; E135-K139 WeakPolarHBondContact O-CG 3.43Å; E135-K139 PolarHBondContact O-N 3.12Å; A136-K139 PolarHBondContact O-N 2.92Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 3.38Å
140L67.4Low76.6Confident150 Ų150113.1 Ų113.179%0.78559%0.588SS**Hα-helixtrans-75.7-37.7175.6-172.461.9000111.8A136 E137 K138A136-L140 PolarHBondContact O-N 2.9Å; E137-L140 CarbonylContact O-C 3.58Å; E137-L140 WeakPolarHBondContact O-CB 3.41Å; E137-L140 PolarHBondContact O-N 2.84Å; E137-L140 VanDerWaalsContact O-N 3.08Å; K138-L140 VanDerWaalsContact C-N 3.3Å
141F59.7Low76.5Confident188 Ų188112.3 Ų112.383%0.82558%0.583SS**Hα-helixtrans-72.9-36.4179.6-172-98.1000112.7E137 K138 G143E137-F141 WeakPolarHBondContact O-CB 3.36Å; E137-F141 PolarHBondContact O-N 3.29Å; K138-F141 PolarHBondContact O-N 3Å; F141-G143 VanDerWaalsContact C-N 3.27Å; F141-G143 PolarHBondContact O-N 3.22Å
142H58.1Low76.7Confident147 Ų147111.4 Ų111.468%0.68158%0.583SS**SBendtrans-73.985.5171.5-136.877.1000108.5K138K138-H142 WeakPolarHBondContact O-CB 3.3Å; K138-H142 PolarHBondContact O-N 3.42Å
143G67.2Low76.7Confident52 Ų52109.6 Ų109.654%0.53658%0.582SS.*  trans-52.9174.3176.400000113.1F141 P145F141-G143 VanDerWaalsContact C-N 3.27Å; F141-G143 PolarHBondContact O-N 3.22Å; G143-P145 VanDerWaalsContact O-CD 3.24Å; G143-P145 WeakPolarHBondContact O-CD 3.28Å; G143-P145 VanDerWaalsContact O-N 3.1Å
144T69.5Low76.8Confident114 Ų114114.3 Ų114.370%0.69959%0.589SS**  trans-63.9115.8179.3-58.80000109.7V146 N150T144-V146 PolarHBondContact O-N 3.46Å; T144-N150 HydrophobicContact CG2-CB 4.25Å; T144-N150 WeakPolarHBondContact CG2-ND2 3.5Å
145P71.7Confident77.2Confident77 Ų77112.4 Ų112.450%0.558%0.579SS.*  trans-62.8140-179.225.1-33.2000109.6G143 T147 N150G143-P145 VanDerWaalsContact O-CD 3.24Å; G143-P145 WeakPolarHBondContact O-CD 3.28Å; G143-P145 VanDerWaalsContact O-N 3.1Å; P145-T147 HydrophobicContact CB-CG2 4.36Å; P145-T147 HydrophobicContact CG-CG2 4.27Å; P145-T147 PolarHBondContact O-N 3Å; P145-N150 PolarHBondContact O-ND2 3Å
146V69.6Low77.8Confident128 Ų128111.2 Ų111.278%0.77658%0.584SS**  trans-74.777.5176.8-173.40000108.8T144 F151T144-V146 PolarHBondContact O-N 3.46Å; V146-F151 HydrophobicContact CG1-CB 4.14Å; V146-F151 HydrophobicContact CG1-CD2 4.25Å
147T81.1Confident78.2Confident61 Ų61115.6 Ų115.637%0.37459%0.593SS.*  trans-83.9160.9168.566.50000109.6P145 E149 N150 F151P145-T147 HydrophobicContact CB-CG2 4.36Å; P145-T147 HydrophobicContact CG-CG2 4.27Å; P145-T147 PolarHBondContact O-N 3Å; T147-E149 PolarHBondContact O-N 3.47Å; T147-N150 PolarHBondContact O-N 3.05Å; T147-N150 WeakPolarHBondContact OG1-CB 3.36Å; T147-N150 VanDerWaalsContact OG1-CG 3.25Å; T147-N150 PolarHBondContact OG1-N 2.79Å; T147-N150 PolarHBondContact OG1-ND2 2.82Å; T147-F151 VanDerWaalsContact O-CB 3.27Å; T147-F151 WeakPolarHBondContact O-CB 3.5Å; T147-F151 PolarHBondContact O-N 2.86Å
148I82.8Confident78.9Confident140 Ų140113.4 Ų113.472%0.71858%0.581SS**Hα-helixtrans-55.5-41.5177.7-61.1171.9000110.6L152I148-L152 HydrophobicContact CG2-CD1 3.97Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.45Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.02Å
149E84.6Confident79.6Confident152 Ų152109.8 Ų109.871%0.7157%0.569SS**Hα-helixtrans-68.2-43.2179.3-61.8-176.6158.900112.8T147 L152 S153T147-E149 PolarHBondContact O-N 3.47Å; E149-L152 PolarHBondContact O-N 2.97Å; E149-S153 WeakPolarHBondContact O-CB 3.43Å; E149-S153 PolarHBondContact O-N 2.99Å; E149-S153 PolarHBondContact O-OG 3.36Å
150N83.6Confident80.5Confident61 Ų61105.1 Ų105.133%0.32656%0.559SS.*Hα-helixtrans-67-41.7176.9-74.2-14000111.1T144 P145 T147 S153 W154T144-N150 HydrophobicContact CG2-CB 4.25Å; T144-N150 WeakPolarHBondContact CG2-ND2 3.5Å; P145-N150 PolarHBondContact O-ND2 3Å; T147-N150 PolarHBondContact O-N 3.05Å; T147-N150 WeakPolarHBondContact OG1-CB 3.36Å; T147-N150 VanDerWaalsContact OG1-CG 3.25Å; T147-N150 PolarHBondContact OG1-N 2.79Å; T147-N150 PolarHBondContact OG1-ND2 2.82Å; N150-S153 PolarHBondContact O-N 2.81Å; N150-W154 VanDerWaalsContact O-CB 3.3Å; N150-W154 WeakPolarHBondContact O-CB 3.26Å; N150-W154 PolarHBondContact O-N 2.85Å
151F84.9Confident81.5Confident93 Ų93104 Ų10441%0.40855%0.551SS.*Hα-helixtrans-63.6-44175.8179.6-101.2000111.5V146 T147 S153 W154 K155V146-F151 HydrophobicContact CG1-CB 4.14Å; V146-F151 HydrophobicContact CG1-CD2 4.25Å; T147-F151 VanDerWaalsContact O-CB 3.27Å; T147-F151 WeakPolarHBondContact O-CB 3.5Å; T147-F151 PolarHBondContact O-N 2.86Å; F151-S153 VanDerWaalsContact C-N 3.34Å; F151-S153 PolarHBondContact O-N 2.77Å; F151-W154 AromaticContact CD2-CE3 3.96Å; F151-W154 HydrophobicContact CD2-CE3 3.96Å; F151-W154 HydrophobicContact CD2-CZ3 4.26Å; F151-W154 AromaticContact CE2-CE3 3.88Å; F151-W154 HydrophobicContact CE2-CE3 3.88Å; F151-W154 AromaticContact CE2-CZ3 3.72Å; F151-W154 HydrophobicContact CE2-CZ3 3.72Å; F151-W154 HydrophobicContact CZ-CZ3 4.46Å; F151-W154 PolarHBondContact O-N 3.34Å; F151-K155 HydrophobicContact CE1-CD 4.12Å; F151-K155 HydrophobicContact CZ-CD 4.49Å; F151-K155 WeakPolarHBondContact O-CB 3.42Å; F151-K155 PolarHBondContact O-N 2.87Å
152L89.7Confident82.9Confident101 Ų10199.4 Ų99.453%0.52953%0.534SS..Hα-helixtrans-64.2-39.2175.9-73.5173.6000112I148 E149 K155 A156I148-L152 HydrophobicContact CG2-CD1 3.97Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.45Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.02Å; E149-L152 PolarHBondContact O-N 2.97Å; L152-K155 PolarHBondContact O-N 2.79Å; L152-A156 WeakPolarHBondContact O-CB 3.17Å; L152-A156 PolarHBondContact O-N 3.13Å
153S86.8Confident84.3Confident70 Ų7097.9 Ų97.949%0.4953%0.53SS..Hα-helixtrans-66.5-43.7175.7-62.20000112E149 N150 F151 A156 K157E149-S153 WeakPolarHBondContact O-CB 3.43Å; E149-S153 PolarHBondContact O-N 2.99Å; E149-S153 PolarHBondContact O-OG 3.36Å; N150-S153 PolarHBondContact O-N 2.81Å; F151-S153 VanDerWaalsContact C-N 3.34Å; F151-S153 PolarHBondContact O-N 2.77Å; S153-A156 PolarHBondContact O-N 2.83Å; S153-K157 PolarHBondContact O-N 3.17Å
154W87.6Confident85.2Confident148 Ų14899.7 Ų99.756%0.56152%0.524SS*.Hα-helixtrans-62.2-47.6173.9173.779.2000111.1N150 F151 A156 K157 F158N150-W154 VanDerWaalsContact O-CB 3.3Å; N150-W154 WeakPolarHBondContact O-CB 3.26Å; N150-W154 PolarHBondContact O-N 2.85Å; F151-W154 AromaticContact CD2-CE3 3.96Å; F151-W154 HydrophobicContact CD2-CE3 3.96Å; F151-W154 HydrophobicContact CD2-CZ3 4.26Å; F151-W154 AromaticContact CE2-CE3 3.88Å; F151-W154 HydrophobicContact CE2-CE3 3.88Å; F151-W154 AromaticContact CE2-CZ3 3.72Å; F151-W154 HydrophobicContact CE2-CZ3 3.72Å; F151-W154 HydrophobicContact CZ-CZ3 4.46Å; F151-W154 PolarHBondContact O-N 3.34Å; W154-A156 VanDerWaalsContact C-N 3.33Å; W154-A156 PolarHBondContact O-N 3.39Å; W154-K157 PolarHBondContact O-N 3.43Å; W154-K157 VanDerWaalsContact O-N 3.13Å; W154-F158 HydrophobicContact CZ2-CD2 4.33Å; W154-F158 WeakPolarHBondContact O-CB 3.46Å; W154-F158 PolarHBondContact O-N 3.42Å
155K89.9Confident85.9Confident92 Ų9299.8 Ų99.840%0.452%0.519SS..Hα-helixtrans-59.3-42.6177.4-176.2174.7-177.81780111.8F151 L152 K157 F158 D159F151-K155 HydrophobicContact CE1-CD 4.12Å; F151-K155 HydrophobicContact CZ-CD 4.49Å; F151-K155 WeakPolarHBondContact O-CB 3.42Å; F151-K155 PolarHBondContact O-N 2.87Å; L152-K155 PolarHBondContact O-N 2.79Å; K155-K157 VanDerWaalsContact C-N 3.33Å; K155-K157 PolarHBondContact O-N 3.24Å; K155-F158 PolarHBondContact O-N 3.23Å; K155-D159 VanDerWaalsContact O-CB 3.32Å; K155-D159 WeakPolarHBondContact O-CB 3.47Å; K155-D159 VanDerWaalsContact O-CG 3.27Å; K155-D159 PolarHBondContact O-N 2.87Å
156A91.4Very high86.6Confident62 Ų62101.1 Ų101.151%0.51252%0.517SS..Hα-helixtrans-61.7-39.7176.300000112.5L152 S153 W154 A160L152-A156 WeakPolarHBondContact O-CB 3.17Å; L152-A156 PolarHBondContact O-N 3.13Å; S153-A156 PolarHBondContact O-N 2.83Å; W154-A156 VanDerWaalsContact C-N 3.33Å; W154-A156 PolarHBondContact O-N 3.39Å; A156-A160 WeakPolarHBondContact O-CB 3.45Å; A156-A160 PolarHBondContact O-N 2.9Å; A156-A160 VanDerWaalsContact O-N 3.13Å
157K90.6Very high87.3Confident149 Ų149100 Ų10065%0.64850%0.502SS*.Hα-helixtrans-67.9-45.9174.4-70179.4-179.1-1800111.7S153 W154 K155 A160 E161S153-K157 PolarHBondContact O-N 3.17Å; W154-K157 PolarHBondContact O-N 3.43Å; W154-K157 VanDerWaalsContact O-N 3.13Å; K155-K157 VanDerWaalsContact C-N 3.33Å; K155-K157 PolarHBondContact O-N 3.24Å; K157-A160 WeakPolarHBondContact O-CB 3.26Å; K157-A160 PolarHBondContact O-N 2.9Å; K157-E161 PolarHBondContact O-N 3.32Å
158F92.1Very high87.4Confident89 Ų89103 Ų10339%0.3951%0.51SS..Hα-helixtrans-60.9-46.7178.5-177-96.9000112W154 K155 A160 E161 L162W154-F158 HydrophobicContact CZ2-CD2 4.33Å; W154-F158 WeakPolarHBondContact O-CB 3.46Å; W154-F158 PolarHBondContact O-N 3.42Å; K155-F158 PolarHBondContact O-N 3.23Å; F158-A160 VanDerWaalsContact C-N 3.29Å; F158-A160 PolarHBondContact O-N 3.13Å; F158-E161 PolarHBondContact O-N 2.88Å; F158-L162 HydrophobicContact CD1-CD1 4.42Å; F158-L162 HydrophobicContact CE1-CD1 3.6Å; F158-L162 HydrophobicContact CZ-CD1 3.85Å; F158-L162 WeakPolarHBondContact O-CB 3.4Å; F158-L162 PolarHBondContact O-N 3.43Å
159D90.9Very high87.3Confident75 Ų75103.2 Ų103.240%0.40150%0.502SS..Hα-helixtrans-62.7-37.1176.8-73-18.2000111.2K155 L163K155-D159 VanDerWaalsContact O-CB 3.32Å; K155-D159 WeakPolarHBondContact O-CB 3.47Å; K155-D159 VanDerWaalsContact O-CG 3.27Å; K155-D159 PolarHBondContact O-N 2.87Å; D159-L163 WeakPolarHBondContact O-CB 3.39Å; D159-L163 VanDerWaalsContact O-CG 3.25Å; D159-L163 WeakPolarHBondContact O-CG 3.45Å; D159-L163 PolarHBondContact O-N 2.9Å
160A91.2Very high86.8Confident58 Ų58100.8 Ų100.848%0.47949%0.492SS..Hα-helixtrans-66.4-43174.700000112.6A156 K157 F158 L163 E164A156-A160 WeakPolarHBondContact O-CB 3.45Å; A156-A160 PolarHBondContact O-N 2.9Å; A156-A160 VanDerWaalsContact O-N 3.13Å; K157-A160 WeakPolarHBondContact O-CB 3.26Å; K157-A160 PolarHBondContact O-N 2.9Å; F158-A160 VanDerWaalsContact C-N 3.29Å; F158-A160 PolarHBondContact O-N 3.13Å; A160-L163 PolarHBondContact O-N 3.43Å; A160-E164 PolarHBondContact O-N 3Å
161E88.6Confident86.5Confident128 Ų128103.5 Ų103.560%0.59850%0.501SS*.Hα-helixtrans-62.9-44175-75.6-179-176.600111.6K157 F158 L163 E164 I165K157-E161 PolarHBondContact O-N 3.32Å; F158-E161 PolarHBondContact O-N 2.88Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.33Å; E161-E164 PolarHBondContact O-N 2.86Å; E161-E164 VanDerWaalsContact O-N 3.14Å; E161-I165 WeakPolarHBondContact O-CG1 3.26Å; E161-I165 PolarHBondContact O-N 3.06Å
162L88.5Confident85.9Confident90 Ų90105.1 Ų105.147%0.47151%0.51SS..Hα-helixtrans-66.1-36.6180-153.8146.4000111.6F158 K166F158-L162 HydrophobicContact CD1-CD1 4.42Å; F158-L162 HydrophobicContact CE1-CD1 3.6Å; F158-L162 HydrophobicContact CZ-CD1 3.85Å; F158-L162 WeakPolarHBondContact O-CB 3.4Å; F158-L162 PolarHBondContact O-N 3.43Å; L162-K166 WeakPolarHBondContact O-CB 3.29Å; L162-K166 PolarHBondContact O-N 3.42Å
163L88.3Confident84.8Confident115 Ų115105.3 Ų105.360%0.60251%0.508SS*.Hα-helixtrans-64.9-40.8171-77.2172.2000112.4D159 A160 E161 K166 K167D159-L163 WeakPolarHBondContact O-CB 3.39Å; D159-L163 VanDerWaalsContact O-CG 3.25Å; D159-L163 WeakPolarHBondContact O-CG 3.45Å; D159-L163 PolarHBondContact O-N 2.9Å; A160-L163 PolarHBondContact O-N 3.43Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 3.33Å; L163-K166 PolarHBondContact O-N 2.87Å; L163-K167 VanDerWaalsContact O-CB 3.26Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.97Å
164E86.4Confident83.7Confident90 Ų90108.7 Ų108.742%0.42152%0.516SS..Hα-helixtrans-68.2-39.7178.4-16561.9-153.800111.3A160 E161 K167 K168A160-E164 PolarHBondContact O-N 3Å; E161-E164 PolarHBondContact O-N 2.86Å; E161-E164 VanDerWaalsContact O-N 3.14Å; E164-K167 PolarHBondContact O-N 3.19Å; E164-K168 WeakPolarHBondContact O-CB 3.27Å; E164-K168 WeakPolarHBondContact O-CG 3.28Å; E164-K168 PolarHBondContact O-N 2.85Å
165I84Confident82.4Confident116 Ų116109.4 Ų109.460%0.59553%0.525SS*.Hα-helixtrans-60.4-47.6171.9-67.7166.5000110.3E161 K167 K168 R169E161-I165 WeakPolarHBondContact O-CG1 3.26Å; E161-I165 PolarHBondContact O-N 3.06Å; I165-K167 VanDerWaalsContact C-N 3.32Å; I165-K167 PolarHBondContact O-N 2.92Å; I165-K168 PolarHBondContact O-N 3.31Å; I165-R169 WeakPolarHBondContact O-CB 3.38Å; I165-R169 PolarHBondContact O-N 3.13Å
166K85.3Confident80.9Confident105 Ų105106.7 Ų106.746%0.45752%0.52SS..Hα-helixtrans-62.5-39.3178.5-169.4177.8-176.1178.10112L162 L163 R169 M170L162-K166 WeakPolarHBondContact O-CB 3.29Å; L162-K166 PolarHBondContact O-N 3.42Å; L163-K166 PolarHBondContact O-N 2.87Å; K166-R169 PolarHBondContact O-N 2.98Å; K166-M170 HydrophobicContact CD-CE 4.34Å; K166-M170 HydrophobicContact CG-CE 4.12Å; K166-M170 WeakPolarHBondContact O-CG 3.29Å; K166-M170 PolarHBondContact O-N 3Å
167K85Confident79.3Confident105 Ų105106.8 Ų106.846%0.45753%0.527SS..Hα-helixtrans-68.5-39.9177.4-175-176.9178.9-172.10112.2L163 E164 I165 K171L163-K167 VanDerWaalsContact O-CB 3.26Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.97Å; E164-K167 PolarHBondContact O-N 3.19Å; I165-K167 VanDerWaalsContact C-N 3.32Å; I165-K167 PolarHBondContact O-N 2.92Å; K167-K171 WeakPolarHBondContact O-CG 3.47Å; K167-K171 PolarHBondContact O-N 3.34Å
168K82.7Confident77.6Confident125 Ų125107.9 Ų107.954%0.54353%0.532SS..Hα-helixtrans-61.7-47.6171.7-76.7-178.6178.8-178.70110.7E164 I165 M170 K171 E172E164-K168 WeakPolarHBondContact O-CB 3.27Å; E164-K168 WeakPolarHBondContact O-CG 3.28Å; E164-K168 PolarHBondContact O-N 2.85Å; I165-K168 PolarHBondContact O-N 3.31Å; K168-M170 PolarHBondContact O-N 3.41Å; K168-K171 PolarHBondContact O-N 3.47Å; K168-E172 WeakPolarHBondContact O-CG 3.41Å; K168-E172 PolarHBondContact O-N 2.89Å
169R80.8Confident75.8Confident143 Ų143110.8 Ų110.854%0.5455%0.552SS.*Hα-helixtrans-60.2-43.6177.4-158.6-176.685.4-159.72.5112.7I165 K166 K171 E172 E173I165-R169 WeakPolarHBondContact O-CB 3.38Å; I165-R169 PolarHBondContact O-N 3.13Å; K166-R169 PolarHBondContact O-N 2.98Å; R169-K171 PolarHBondContact O-N 2.94Å; R169-E172 PolarHBondContact O-N 2.83Å; R169-E173 HydrophobicContact CG-CG 4.49Å; R169-E173 IonicContact CZ-OE1 3.86Å; R169-E173 IonicContact NE-OE1 3.8Å; R169-E173 PolarHBondContact NE-OE1 3.25Å; R169-E173 IonicContact NH2-OE1 2.8Å; R169-E173 WeakPolarHBondContact O-CB 3.31Å; R169-E173 WeakPolarHBondContact O-CG 3.39Å; R169-E173 PolarHBondContact O-N 3.01Å
170M74.2Confident74.3Confident101 Ų101115.1 Ų115.150%0.49857%0.567SS.*Hα-helixtrans-62.9-41.5175.7-76.9-175.5-174.600112.5K166 K168 E172 E173 E174K166-M170 HydrophobicContact CD-CE 4.34Å; K166-M170 HydrophobicContact CG-CE 4.12Å; K166-M170 WeakPolarHBondContact O-CG 3.29Å; K166-M170 PolarHBondContact O-N 3Å; K168-M170 PolarHBondContact O-N 3.41Å; M170-E172 VanDerWaalsContact C-N 3.35Å; M170-E173 PolarHBondContact O-N 3.34Å; M170-E174 VanDerWaalsContact O-CB 3.24Å; M170-E174 WeakPolarHBondContact O-CB 3.47Å; M170-E174 PolarHBondContact O-N 2.93Å
171K77.5Confident72.9Confident118 Ų118117.2 Ų117.251%0.51357%0.569SS.*Hα-helixtrans-65.6-38.9176.4-75.7179.3175.3-174.20112.1K167 K168 R169 Q175K167-K171 WeakPolarHBondContact O-CG 3.47Å; K167-K171 PolarHBondContact O-N 3.34Å; K168-K171 PolarHBondContact O-N 3.47Å; R169-K171 PolarHBondContact O-N 2.94Å; K171-Q175 WeakPolarHBondContact O-CB 3.36Å; K171-Q175 WeakPolarHBondContact O-CG 3.2Å; K171-Q175 PolarHBondContact O-N 3.09Å
172E71.8Confident71.9Confident128 Ų128114.2 Ų114.260%0.59856%0.563SS**Hα-helixtrans-67.6-42.9175-74.6174.6-17900111.6K168 R169 M170 Q175 A176K168-E172 WeakPolarHBondContact O-CG 3.41Å; K168-E172 PolarHBondContact O-N 2.89Å; R169-E172 PolarHBondContact O-N 2.83Å; M170-E172 VanDerWaalsContact C-N 3.35Å; E172-Q175 PolarHBondContact O-N 3.47Å; E172-A176 WeakPolarHBondContact O-CB 3.47Å; E172-A176 PolarHBondContact O-N 3.24Å
173E67Low70.8Confident104 Ų104112.3 Ų112.349%0.48657%0.565SS.*Hα-helixtrans-63.3-41174.2-76.7172-165.600111.5R169 M170 A176 G177R169-E173 HydrophobicContact CG-CG 4.49Å; R169-E173 IonicContact CZ-OE1 3.86Å; R169-E173 IonicContact NE-OE1 3.8Å; R169-E173 PolarHBondContact NE-OE1 3.25Å; R169-E173 IonicContact NH2-OE1 2.8Å; R169-E173 WeakPolarHBondContact O-CB 3.31Å; R169-E173 WeakPolarHBondContact O-CG 3.39Å; R169-E173 PolarHBondContact O-N 3.01Å; M170-E173 PolarHBondContact O-N 3.34Å; E173-A176 PolarHBondContact O-N 2.84Å; E173-G177 WeakPolarHBondContact O-CA 3.11Å; E173-G177 PolarHBondContact O-N 3.12Å
174E64.7Low70Confident141 Ų141113.6 Ų113.666%0.65957%0.565SS**Hα-helixtrans-71.7-32.6179-163.8177.4-168.200112.4M170M170-E174 VanDerWaalsContact O-CB 3.24Å; M170-E174 WeakPolarHBondContact O-CB 3.47Å; M170-E174 PolarHBondContact O-N 2.93Å
175Q60.5Low69.3Low163 Ų163113.8 Ų113.876%0.76257%0.566SS**Hα-helixtrans-77.4-33.9171.7-77.6-174.9-5.100112.8K171 E172K171-Q175 WeakPolarHBondContact O-CB 3.36Å; K171-Q175 WeakPolarHBondContact O-CG 3.2Å; K171-Q175 PolarHBondContact O-N 3.09Å; E172-Q175 PolarHBondContact O-N 3.47Å
176A58.4Low68.4Low35 Ų35112.9 Ų112.929%0.28956%0.562SS.*Hα-helixtrans-77.1-33177.800000112.4E172 E173 K178 N179 K180E172-A176 WeakPolarHBondContact O-CB 3.47Å; E172-A176 PolarHBondContact O-N 3.24Å; E173-A176 PolarHBondContact O-N 2.84Å; A176-K178 PolarHBondContact O-N 3.43Å; A176-K178 VanDerWaalsContact O-N 3.16Å; A176-N179 PolarHBondContact O-N 3.19Å; A176-K180 HydrophobicContact CB-CD 4.31Å; A176-K180 WeakPolarHBondContact O-CB 3.33Å; A176-K180 PolarHBondContact O-N 3.02Å
177G56.3Low67.5Low65 Ų65115 Ų11567%0.6757%0.571SS**THydrogen-bonded Turntrans-69.5-7.6-175.100000116E173E173-G177 WeakPolarHBondContact O-CA 3.11Å; E173-G177 PolarHBondContact O-N 3.12Å
178K54.5Low66.8Low171 Ų171116.3 Ų116.374%0.74358%0.58SS**THydrogen-bonded Turntrans-95.3-16.9174.5-74.6178.5179.1170.50114.3A176A176-K178 PolarHBondContact O-N 3.43Å; A176-K178 VanDerWaalsContact O-N 3.16Å
179N55.5Low66.1Low151 Ų151115.5 Ų115.581%0.80759%0.585SS**THydrogen-bonded Turntrans-140.4-0.2-172.5-86.171.2000115.4A176A176-N179 PolarHBondContact O-N 3.19Å
180K58.7Low65.2Low166 Ų166112.2 Ų112.272%0.72258%0.578SS**  trans-123.3100.9179.3-60.4-175179.8-176.80110.2A176A176-K180 HydrophobicContact CB-CD 4.31Å; A176-K180 WeakPolarHBondContact O-CB 3.33Å; A176-K180 PolarHBondContact O-N 3.02Å
181L62.5Low64.7Low101 Ų101115.4 Ų115.453%0.52959%0.592SS.*  trans-58.8135.1165.3-77.1153.3000108.3Q185 L186L181-Q185 HydrophobicContact CB-CB 4.27Å; L181-Q185 HydrophobicContact CD2-CB 3.86Å; L181-L186 HydrophobicContact CB-CG 4.46Å
182S67.1Low64.1Low66 Ų66115 Ų11546%0.46260%0.595SS.*  trans-57.8148.7173.9170.90000110.3K184 Q185 L186S182-K184 PolarHBondContact O-N 3.44Å; S182-Q185 VanDerWaalsContact N-OE1 3.16Å; S182-Q185 WeakPolarHBondContact O-CA 3.24Å; S182-Q185 WeakPolarHBondContact O-CB 3.19Å; S182-Q185 PolarHBondContact O-N 3.37Å; S182-L186 PolarHBondContact O-N 3.01Å
183G65.7Low63.6Low49 Ų49112 Ų11251%0.50558%0.583SS.*Hα-helixtrans-52.1-32.4178.300000113.4F187G183-F187 PolarHBondContact O-N 3.39Å
184K71.5Confident63.2Low142 Ų142113.3 Ų113.362%0.61759%0.593SS**Hα-helixtrans-67.3-42.3171.9-175.7179.3174.2-176.20113S182 F187 E188S182-K184 PolarHBondContact O-N 3.44Å; K184-F187 PolarHBondContact O-N 2.78Å; K184-E188 WeakPolarHBondContact CE-OE1 3.46Å; K184-E188 IonicContact NZ-OE1 2.61Å; K184-E188 WeakPolarHBondContact O-CG 3.43Å; K184-E188 PolarHBondContact O-N 3.41Å
185Q72.2Confident63Low95 Ų95109.4 Ų109.444%0.44458%0.579SS.*Hα-helixtrans-70.5-34.4178.9-66.5176.8-69.500111.8L181 S182 F187 E188 T189L181-Q185 HydrophobicContact CB-CB 4.27Å; L181-Q185 HydrophobicContact CD2-CB 3.86Å; S182-Q185 VanDerWaalsContact N-OE1 3.16Å; S182-Q185 WeakPolarHBondContact O-CA 3.24Å; S182-Q185 WeakPolarHBondContact O-CB 3.19Å; S182-Q185 PolarHBondContact O-N 3.37Å; Q185-F187 VanDerWaalsContact C-N 3.32Å; Q185-E188 PolarHBondContact O-N 3.12Å; Q185-T189 PolarHBondContact O-N 3.28Å; Q185-T189 VanDerWaalsContact O-N 3.08Å; Q185-T189 PolarHBondContact O-OG1 2.59Å
186L65.2Low63Low96 Ų96103.4 Ų103.450%0.50356%0.555SS.*Hα-helixtrans-57.6-45.1170.5-109.4153.2000110.9L181 S182 D190L181-L186 HydrophobicContact CB-CG 4.46Å; S182-L186 PolarHBondContact O-N 3.01Å; L186-D190 PolarHBondContact O-N 3.07Å
187F65.4Low63.1Low149 Ų149107.9 Ų107.965%0.65457%0.574SS**Hα-helixtrans-69.4-31.6176.6-104.5-90.7000114.4G183 K184 Q185 L193G183-F187 PolarHBondContact O-N 3.39Å; K184-F187 PolarHBondContact O-N 2.78Å; Q185-F187 VanDerWaalsContact C-N 3.32Å; F187-L193 HydrophobicContact CD1-CD1 4.19Å; F187-L193 HydrophobicContact CE1-CD1 4.25Å; F187-L193 HydrophobicContact CG-CD1 4.34Å; F187-L193 HydrophobicContact CZ-CD1 4.43Å
188E71.5Confident63.3Low134 Ų134109.9 Ų109.963%0.62657%0.568SS**Hα-helixtrans-83.1-23.2-178.9-74.3174.9176.500113.7K184 Q185K184-E188 WeakPolarHBondContact CE-OE1 3.46Å; K184-E188 IonicContact NZ-OE1 2.61Å; K184-E188 WeakPolarHBondContact O-CG 3.43Å; K184-E188 PolarHBondContact O-N 3.41Å; Q185-E188 PolarHBondContact O-N 3.12Å
189T67.2Low63.6Low107 Ų107107.6 Ų107.666%0.65656%0.56SS**Hα-helixtrans-92.6-26.2-179.837.50000113.8Q185 H191Q185-T189 PolarHBondContact O-N 3.28Å; Q185-T189 VanDerWaalsContact O-N 3.08Å; Q185-T189 PolarHBondContact O-OG1 2.59Å; T189-H191 PolarHBondContact O-N 3.26Å
190D61.6Low63.8Low75 Ų75108.2 Ų108.240%0.40156%0.556SS.*  trans-95.889.5177.2-165-2.2000111.2L186 N192 L193L186-D190 PolarHBondContact O-N 3.07Å; D190-N192 PolarHBondContact O-N 2.85Å; D190-N192 VanDerWaalsContact O-N 3.15Å; D190-N192 WeakPolarHBondContact OD1-CB 3.49Å; D190-N192 PolarHBondContact OD1-N 2.91Å; D190-L193 HydrophobicContact CB-CD1 4.07Å; D190-L193 HydrophobicContact CB-CG 4.46Å; D190-L193 PolarHBondContact O-N 3.23Å
191H64Low63.9Low168 Ų168106.1 Ų106.178%0.77855%0.552SS**THydrogen-bonded Turntrans-69.2-2.5174.9-157.659000113T189T189-H191 PolarHBondContact O-N 3.26Å
192N65.4Low63.8Low110 Ų110109 Ų10959%0.58856%0.563SS**THydrogen-bonded Turntrans-84.3-13179.1-123.924000112.8D190 D194 T195 S196D190-N192 PolarHBondContact O-N 2.85Å; D190-N192 VanDerWaalsContact O-N 3.15Å; D190-N192 WeakPolarHBondContact OD1-CB 3.49Å; D190-N192 PolarHBondContact OD1-N 2.91Å; N192-D194 VanDerWaalsContact C-N 3.34Å; N192-D194 PolarHBondContact O-N 3.25Å; N192-T195 PolarHBondContact O-N 2.88Å; N192-T195 PolarHBondContact O-OG1 3.06Å; N192-T195 VanDerWaalsContact O-OG1 3.1Å; N192-S196 PolarHBondContact O-N 3.25Å; N192-S196 PolarHBondContact O-OG 3.45Å
193L59.7Low63.5Low65 Ų65113.4 Ų113.434%0.3458%0.581SS.*G310 helixtrans-68.1-28.7178.3-81162.8000113.4F187 D190 T195 S196F187-L193 HydrophobicContact CD1-CD1 4.19Å; F187-L193 HydrophobicContact CE1-CD1 4.25Å; F187-L193 HydrophobicContact CG-CD1 4.34Å; F187-L193 HydrophobicContact CZ-CD1 4.43Å; D190-L193 HydrophobicContact CB-CD1 4.07Å; D190-L193 HydrophobicContact CB-CG 4.46Å; D190-L193 PolarHBondContact O-N 3.23Å; L193-T195 PolarHBondContact O-N 3.17Å; L193-T195 VanDerWaalsContact O-N 3.15Å; L193-S196 WeakPolarHBondContact CA-OG 3.41Å; L193-S196 PolarHBondContact O-N 2.85Å
194D59.8Low63Low131 Ų131114 Ų11470%0.70158%0.582SS**G310 helixtrans-61.5-23.4176.2-167.925.7000112.6N192N192-D194 VanDerWaalsContact C-N 3.34Å; N192-D194 PolarHBondContact O-N 3.25Å
195T59.4Low61.9Low58 Ų58110.5 Ų110.536%0.35659%0.585SS.*G310 helixtrans-108.3-3.3179.759.40000114.1N192 L193 I198 Q199N192-T195 PolarHBondContact O-N 2.88Å; N192-T195 PolarHBondContact O-OG1 3.06Å; N192-T195 VanDerWaalsContact O-OG1 3.1Å; L193-T195 PolarHBondContact O-N 3.17Å; L193-T195 VanDerWaalsContact O-N 3.15Å; T195-I198 PolarHBondContact O-N 2.93Å; T195-Q199 PolarHBondContact O-N 2.97Å; T195-Q199 VanDerWaalsContact O-N 3.1Å
196S60.6Low61Low38 Ų38113.3 Ų113.327%0.26660%0.603SS.*Hα-helixtrans-71.8-39-174-63.50000112.2N192 L193 I198 Q199 F200N192-S196 PolarHBondContact O-N 3.25Å; N192-S196 PolarHBondContact O-OG 3.45Å; L193-S196 WeakPolarHBondContact CA-OG 3.41Å; L193-S196 PolarHBondContact O-N 2.85Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 3.43Å; S196-Q199 PolarHBondContact O-N 3.36Å; S196-F200 PolarHBondContact O-N 3.42Å
197D60.6Low60.6Low128 Ų128114.2 Ų114.268%0.68461%0.609SS**Hα-helixtrans-68.9-32176.8-76.21000112L201D197-L201 WeakPolarHBondContact O-CB 3.36Å; D197-L201 PolarHBondContact O-N 3.28Å
198I62Low60.4Low107 Ų107113.7 Ų113.755%0.54962%0.617SS.*Hα-helixtrans-70.8-41.5176.4-66173.2000110.5T195 S196 L201 E202T195-I198 PolarHBondContact O-N 2.93Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 3.43Å; I198-L201 PolarHBondContact O-N 3.28Å; I198-E202 WeakPolarHBondContact O-CB 3.32Å; I198-E202 PolarHBondContact O-N 3.47Å; I198-E202 VanDerWaalsContact O-N 3.08Å
199Q60.6Low60Low123 Ų123115 Ų11558%0.57562%0.624SS**Hα-helixtrans-68.9-35.4177.7-77.4176.70.600112.7T195 S196 E202 D203T195-Q199 PolarHBondContact O-N 2.97Å; T195-Q199 VanDerWaalsContact O-N 3.1Å; S196-Q199 PolarHBondContact O-N 3.36Å; Q199-E202 PolarHBondContact O-N 2.93Å; Q199-D203 PolarHBondContact O-N 3.45Å
200F59.9Low60Low164 Ų164115.3 Ų115.372%0.71963%0.625SS**Hα-helixtrans-70.3-32.5176.2-107.9-93.2000113.1S196 A204S196-F200 PolarHBondContact O-N 3.42Å; F200-A204 WeakPolarHBondContact O-CB 3.44Å; F200-A204 PolarHBondContact O-N 3.15Å
201L59.3Low60.6Low123 Ų123116.9 Ų116.964%0.64463%0.634SS**Hα-helixtrans-77.8-24.7175.5-87.2159000113.5D197 I198D197-L201 WeakPolarHBondContact O-CB 3.36Å; D197-L201 PolarHBondContact O-N 3.28Å; I198-L201 PolarHBondContact O-N 3.28Å
202E61.5Low61.1Low162 Ų162115.9 Ų115.976%0.75763%0.629SS**Hα-helixtrans-85.7-30.5-179.8-146.9169.4-150.500112.7I198 Q199I198-E202 WeakPolarHBondContact O-CB 3.32Å; I198-E202 PolarHBondContact O-N 3.47Å; I198-E202 VanDerWaalsContact O-N 3.08Å; Q199-E202 PolarHBondContact O-N 2.93Å
203D60.4Low61.5Low158 Ų158114 Ų11485%0.84562%0.624SS**Hα-helixtrans-92-27.1178.8-103.5-13.5000114.3Q199Q199-D203 PolarHBondContact O-N 3.45Å
204A55.1Low61.9Low62 Ų62117.4 Ų117.451%0.51264%0.643SS.*SBendtrans-110.283.5179.500000109.9F200 N206F200-A204 WeakPolarHBondContact O-CB 3.44Å; F200-A204 PolarHBondContact O-N 3.15Å; A204-N206 PolarHBondContact O-N 2.95Å
205G48.8Very low62.4Low67 Ų67118 Ų11869%0.69164%0.639SS**  trans-45.497.7177.400000113.3N207G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 3.38Å
206N52.9Low62.7Low154 Ų154121.3 Ų121.382%0.82465%0.65SS**SBendtrans41.730.4151-129.329.5000119.1A204A204-N206 PolarHBondContact O-N 2.95Å
207N56.4Low62.8Low115 Ų115128 Ų12862%0.61568%0.678SS**  trans-143.388.4177.3-149.417.4000112.9G205G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 3.38Å
208V60.8Low62.9Low138 Ų138128.2 Ų128.284%0.83668%0.676SS**  trans-106.794.9160.5-179.70000106.2
209E63.6Low62.9Low162 Ų162130.4 Ų130.476%0.75769%0.689SS**  trans-73.7122.5173.9-80172.8173.500109.4
210V68.4Low63Low114 Ų114131.7 Ų131.769%0.69170%0.7SS**  trans-84120.9171.9179.50000107.7E212V210-E212 PolarHBondContact O-N 3.15Å
211D74.2Confident63Low108 Ų108130.1 Ų130.158%0.57870%0.698SS**  trans-79.2101.6179.2-161-4000110.4S213 L214D211-S213 PolarHBondContact O-N 3.35Å; D211-S213 PolarHBondContact OD1-OG 3.44Å; D211-L214 PolarHBondContact O-N 3.04Å
212E72.8Confident63Low146 Ų146133 Ų13368%0.68271%0.708SS**G310 helixtrans-65.1-18.2-177.3-70.7-175.9174.400113.4V210 L214 F215 Q216V210-E212 PolarHBondContact O-N 3.15Å; E212-L214 PolarHBondContact O-N 3.1Å; E212-L214 VanDerWaalsContact O-N 3.15Å; E212-F215 PolarHBondContact O-N 3.16Å; E212-Q216 PolarHBondContact O-OE1 2.84Å
213S73.9Confident63Low70 Ų70132.7 Ų132.749%0.4971%0.711SS.*G310 helixtrans-65.9-18.7-179.374.30000113.8D211 F215D211-S213 PolarHBondContact O-N 3.35Å; D211-S213 PolarHBondContact OD1-OG 3.44Å; S213-F215 PolarHBondContact O-N 2.79Å
214L68.5Low62.9Low138 Ų138134.2 Ų134.272%0.72371%0.713SS**G310 helixtrans-68.1-16.4178.4-112.5154.4000113.5D211 E212D211-L214 PolarHBondContact O-N 3.04Å; E212-L214 PolarHBondContact O-N 3.1Å; E212-L214 VanDerWaalsContact O-N 3.15Å
215F70.8Confident62.9Low142 Ų142139.1 Ų139.162%0.62373%0.731SS**THydrogen-bonded Turntrans-110.1-9.8-177.8-64.1-83.1000113.8E212 S213 E217 M218E212-F215 PolarHBondContact O-N 3.16Å; S213-F215 PolarHBondContact O-N 2.79Å; F215-E217 VanDerWaalsContact C-N 3.35Å; F215-E217 PolarHBondContact O-N 3.12Å; F215-M218 PolarHBondContact O-N 3.21Å
216Q65.5Low63.2Low128 Ų128139.1 Ų139.160%0.59873%0.73SS**G310 helixtrans-70.6-24.2-176.8-109.1110.928.900114.2E212 M218E212-Q216 PolarHBondContact O-OE1 2.84Å; Q216-M218 VanDerWaalsContact C-N 3.29Å; Q216-M218 PolarHBondContact O-N 2.93Å
217E63.4Low63.3Low179 Ų179140.6 Ų140.684%0.83673%0.732SS**G310 helixtrans-79.5-4.8-179.7-74.7-176.6171.700114.1F215F215-E217 VanDerWaalsContact C-N 3.35Å; F215-E217 PolarHBondContact O-N 3.12Å
218M63.1Low63.3Low133 Ų133143 Ų14366%0.65575%0.745SS**G310 helixtrans-84.1-23.3-179.2-159100.569.900113.2F215 Q216 D220F215-M218 PolarHBondContact O-N 3.21Å; Q216-M218 VanDerWaalsContact C-N 3.29Å; Q216-M218 PolarHBondContact O-N 2.93Å; M218-D220 VanDerWaalsContact C-N 3.3Å; M218-D220 PolarHBondContact O-N 3.32Å
219D61.7Low63.4Low153 Ų153141.3 Ų141.382%0.81873%0.731SS**THydrogen-bonded Turntrans-77.7-12.4-176.8-79.6-22.1000113.4
220D62Low63.5Low149 Ų149139.7 Ų139.780%0.79774%0.735SS**THydrogen-bonded Turntrans-92.74.5-178.8-120.77.1000113.3M218 E222M218-D220 VanDerWaalsContact C-N 3.3Å; M218-D220 PolarHBondContact O-N 3.32Å; D220-E222 VanDerWaalsContact C-N 3.28Å; D220-E222 PolarHBondContact O-N 3.45Å
221L60.8Low63.4Low132 Ų132141.5 Ų141.569%0.69174%0.741SS**  trans-79.981.2167.5-76.1168.7000108.9L223L221-L223 VanDerWaalsContact C-N 3.3Å; L221-L223 PolarHBondContact O-N 3.44Å
222E59.5Low62.9Low184 Ų184144.8 Ų144.886%0.8675%0.746SS**  trans-58.895.4162.4-73.8-172.2164.500108.4D220 E224D220-E222 VanDerWaalsContact C-N 3.28Å; D220-E222 PolarHBondContact O-N 3.45Å; E222-E224 PolarHBondContact O-N 3.19Å; E222-E224 VanDerWaalsContact O-N 3.11Å
223L61.3Low62.6Low155 Ų155143 Ų14381%0.81274%0.741SS**  trans-64.5107.3162.4-76.4165.7000106.4L221 D225L221-L223 VanDerWaalsContact C-N 3.3Å; L221-L223 PolarHBondContact O-N 3.44Å; L223-D225 PolarHBondContact O-N 3.06Å
224E56.9Low62.2Low190 Ų190144.3 Ų144.389%0.88875%0.748SS**  trans-59.8100.7173.1-163.7172.4-156.100108E222 G226E222-E224 PolarHBondContact O-N 3.19Å; E222-E224 VanDerWaalsContact O-N 3.11Å; E224-G226 PolarHBondContact O-N 3.28Å
225D55.6Low61.6Low165 Ų165142.8 Ų142.888%0.88274%0.744SS**  trans-65.275.6172.7-85.3-27.5000109L223L223-D225 PolarHBondContact O-N 3.06Å
226G54.9Low60.7Low66 Ų66140.2 Ų140.268%0.6875%0.75SS**  trans-94.787.8176.400000111.6E224E224-G226 PolarHBondContact O-N 3.28Å
227E54.9Low60Low186 Ų186139.4 Ų139.487%0.86976%0.756SS**  trans49.2106.1147.1-63.3-171.7154.700119.3D229E227-D229 PolarHBondContact O-N 3.13Å
228D56.7Low59.5Low164 Ų164134.5 Ų134.588%0.87775%0.753SS**  trans14.792.6140.2-89.9-29.8000115.9P230D228-P230 WeakPolarHBondContact O-CD 3.42Å
229D63.1Low58.7Low103 Ų103134.5 Ų134.555%0.55177%0.766SS**  trans-76.1107.6154-176.5-4.1000108E227 D231 Y232E227-D229 PolarHBondContact O-N 3.13Å; D229-D231 PolarHBondContact O-N 3.24Å; D229-D231 PolarHBondContact OD1-N 3.2Å; D229-Y232 PolarHBondContact O-N 3.48Å; D229-Y232 VanDerWaalsContact O-N 3.12Å
230P65.1Low58.1Low128 Ų128134 Ų13483%0.83176%0.763SS**THydrogen-bonded Turntrans-65.4-6.7-178.429.1-35.9000113.5D228D228-P230 WeakPolarHBondContact O-CD 3.42Å
231D66.2Low57.7Low152 Ų152132.8 Ų132.881%0.81377%0.767SS**THydrogen-bonded Turntrans-103-0.1177.4-113.8-10.5000113.8D229 N233D229-D231 PolarHBondContact O-N 3.24Å; D229-D231 PolarHBondContact OD1-N 3.2Å; D231-N233 PolarHBondContact O-N 3.38Å
232Y65.3Low57.2Low177 Ų177132 Ų13269%0.69477%0.772SS**  trans-85.495.9177.7-168.2-98.8000112.1D229 P234D229-Y232 PolarHBondContact O-N 3.48Å; D229-Y232 VanDerWaalsContact O-N 3.12Å; Y232-P234 HydrophobicContact CD1-CG 4.3Å; Y232-P234 HydrophobicContact CE1-CB 3.8Å; Y232-P234 HydrophobicContact CE1-CG 3.92Å; Y232-P234 WeakPolarHBondContact O-CD 3.42Å
233N64.8Low56.6Low109 Ų109134.5 Ų134.558%0.58379%0.792SS**  trans-105.5103.1167.7-173.50.8000111.3D231 V235D231-N233 PolarHBondContact O-N 3.38Å; N233-V235 PolarHBondContact O-N 3.25Å; N233-V235 VanDerWaalsContact O-N 3.09Å; N233-V235 WeakPolarHBondContact OD1-CA 3.26Å; N233-V235 WeakPolarHBondContact OD1-CB 3.32Å; N233-V235 PolarHBondContact OD1-N 2.59Å
234P65.5Low56.4Low97 Ų97133.5 Ų133.563%0.6379%0.791SS**THydrogen-bonded Turntrans-71.51.7177.227.4-31.5000113.8Y232Y232-P234 HydrophobicContact CD1-CG 4.3Å; Y232-P234 HydrophobicContact CE1-CB 3.8Å; Y232-P234 HydrophobicContact CE1-CG 3.92Å; Y232-P234 WeakPolarHBondContact O-CD 3.42Å
235V56.9Low56.3Low106 Ų106130.5 Ų130.564%0.64279%0.785SS**THydrogen-bonded Turntrans-117.440.4-171.4-158.90000112.6N233 P237N233-V235 PolarHBondContact O-N 3.25Å; N233-V235 VanDerWaalsContact O-N 3.09Å; N233-V235 WeakPolarHBondContact OD1-CA 3.26Å; N233-V235 WeakPolarHBondContact OD1-CB 3.32Å; N233-V235 PolarHBondContact OD1-N 2.59Å; V235-P237 WeakPolarHBondContact O-CD 3.27Å
236A52.5Low56.4Low89 Ų89128.6 Ų128.674%0.73678%0.78SS**  trans-103.669165.800000112.9
237P49.8Very low56.5Low111 Ų111132.3 Ų132.372%0.72179%0.786SS**  trans-81.5116.5161.632.7-27.8000109.6V235V235-P237 WeakPolarHBondContact O-CD 3.27Å
238G52.2Low56.6Low76 Ų76128.9 Ų128.978%0.78478%0.781SS**  trans46.895.2150.400000118.5
239S48.1Very low56.6Low133 Ų133126.6 Ų126.693%0.9377%0.774SS**  trans-99.175.1150.660.70000109.3
240D48Very low56.1Low142 Ų142128.3 Ų128.376%0.75979%0.79SS**  trans-123.6103.1159-17031000107
241S52.9Low55.4Low124 Ų124128.3 Ų128.387%0.86779%0.787SS**  trans-155.3113.5163.5-81.80000108.3
242S52Low54.5Low116 Ų116126.3 Ų126.381%0.81179%0.785SS**  trans-60.8144.1176.8-39.50000113.4
243D46.2Very low53.5Low236 Ų236121.7 Ų121.7100%1.26279%0.793SS**  trans-132.30130.7-147.4-12.5000106.8

Retrieved 243 of 243 residues in 718.2 ms (Link to these results)

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