RWDD1_HUMAN 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 development1.

AlphaFold DB , UniProt , Accession Q9H446, Species HUMAN (Homo sapiens, Human), 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
1M64.6Low88.3Confident241 Ų24187.5 Ų87.5100%1.18744%0.436SS*.  0108.10-157.2167.7-165.400103.3D3M1-D3 PolarHBondContact O-N 3.19Å
2T76.4Confident88.8Confident71 Ų7183.5 Ų83.544%0.43642%0.417SS..  trans-68.3122.4-178.7-44.40000107Y4 E7T2-Y4 VanDerWaalsContact C-N 3.35Å; T2-Y4 VanDerWaalsContact CB-CE1 3.44Å; T2-Y4 HydrophobicContact CG2-CD1 3.76Å; T2-Y4 HydrophobicContact CG2-CE1 3.54Å; T2-Y4 PolarHBondContact O-N 3.13Å; T2-E7 WeakPolarHBondContact CG2-OE2 3.44Å
3D88.2Confident89.3Confident108 Ų10887.6 Ų87.658%0.57843%0.434SS*.  trans-90.378.3-176.7-146.9-39.4000108.7M1 G5 E6 E7M1-D3 PolarHBondContact O-N 3.19Å; D3-G5 PolarHBondContact O-N 3.39Å; D3-G5 VanDerWaalsContact O-N 3.13Å; D3-E6 HydrophobicContact CB-CB 4.22Å; D3-E6 WeakPolarHBondContact O-CB 3.37Å; D3-E6 PolarHBondContact O-N 3.22Å; D3-E7 PolarHBondContact O-N 3.23Å
4Y91.2Very high89.8Confident65 Ų6584.6 Ų84.626%0.25543%0.429SS..Hα-helixtrans-53.3-36.2-174.3-54.8-48.2000112.5T2 E6 E7 Q8 E58 Y60 D62T2-Y4 VanDerWaalsContact C-N 3.35Å; T2-Y4 VanDerWaalsContact CB-CE1 3.44Å; T2-Y4 HydrophobicContact CG2-CD1 3.76Å; T2-Y4 HydrophobicContact CG2-CE1 3.54Å; T2-Y4 PolarHBondContact O-N 3.13Å; Y4-E6 VanDerWaalsContact C-N 3.31Å; Y4-E6 PolarHBondContact O-N 3.2Å; Y4-E7 PolarHBondContact O-N 3.13Å; Y4-Q8 WeakPolarHBondContact O-CB 3.49Å; Y4-Q8 WeakPolarHBondContact O-CG 3.46Å; Y4-Q8 PolarHBondContact O-N 3.08Å; Y4-E58 WeakPolarHBondContact CD2-O 3.47Å; Y4-Y60 WeakPolarHBondContact CB-O 3.36Å; Y4-D62 HydrophobicContact CE1-CB 4.39Å; Y4-D62 PolarHBondContact OH-OD2 2.74Å
5G90.2Very high90.2Very high34 Ų3479.1 Ų79.135%0.35140%0.402SS..Hα-helixtrans-70.7-23178.700000114D3 R9D3-G5 PolarHBondContact O-N 3.39Å; D3-G5 VanDerWaalsContact O-N 3.13Å; G5-R9 VanDerWaalsContact O-CG 3.24Å; G5-R9 WeakPolarHBondContact O-CG 3.41Å; G5-R9 PolarHBondContact O-NE 2.85Å
6E92Very high90.5Very high96 Ų9681.6 Ų81.645%0.44941%0.411SS..Hα-helixtrans-78.1-44.7170.5-169.4176.6179.600111D3 Y4 Q8 R9 N10D3-E6 HydrophobicContact CB-CB 4.22Å; D3-E6 WeakPolarHBondContact O-CB 3.37Å; D3-E6 PolarHBondContact O-N 3.22Å; Y4-E6 VanDerWaalsContact C-N 3.31Å; Y4-E6 PolarHBondContact O-N 3.2Å; E6-Q8 PolarHBondContact O-N 3.22Å; E6-R9 PolarHBondContact O-N 3.45Å; E6-N10 VanDerWaalsContact O-CG 3.28Å; E6-N10 PolarHBondContact O-N 3.21Å; E6-N10 PolarHBondContact O-ND2 2.92Å
7E92.3Very high90.9Very high66 Ų6682.5 Ų82.531%0.30843%0.427SS..Hα-helixtrans-61-45177.4-66.4-162.7106.400112.3T2 D3 Y4 R9 N10 E11 P61 V98T2-E7 WeakPolarHBondContact CG2-OE2 3.44Å; D3-E7 PolarHBondContact O-N 3.23Å; Y4-E7 PolarHBondContact O-N 3.13Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.47Å; E7-N10 PolarHBondContact O-N 3.33Å; E7-E11 WeakPolarHBondContact O-CB 3.21Å; E7-E11 PolarHBondContact O-N 3.42Å; E7-P61 WeakPolarHBondContact OE2-CD 3.42Å; E7-V98 HydrophobicContact CB-CG1 4.32Å
8Q93.4Very high91.2Very high22 Ų2282.6 Ų82.610%0.10343%0.427CS..Hα-helixtrans-59.7-39.8176.9-73.9169.222.600112.6Y4 E6 L12 Y56 S57 Y60Y4-Q8 WeakPolarHBondContact O-CB 3.49Å; Y4-Q8 WeakPolarHBondContact O-CG 3.46Å; Y4-Q8 PolarHBondContact O-N 3.08Å; E6-Q8 PolarHBondContact O-N 3.22Å; Q8-L12 WeakPolarHBondContact O-CB 3.49Å; Q8-L12 PolarHBondContact O-N 2.95Å; Q8-Y56 HydrophobicContact CB-CD2 3.71Å; Q8-Y56 HydrophobicContact CB-CE2 3.73Å; Q8-Y56 HydrophobicContact CG-CD2 3.62Å; Q8-Y56 HydrophobicContact CG-CE2 3.97Å; Q8-Y56 HydrophobicContact CG-CG 4.01Å; Q8-S57 PolarHBondContact NE2-O 2.81Å; Q8-Y60 HydrophobicContact CG-CD1 3.79Å; Q8-Y60 HydrophobicContact CG-CE1 4.47Å; Q8-Y60 PolarHBondContact NE2-O 2.81Å
9R93.2Very high91.4Very high160 Ų16080.2 Ų80.260%0.60441%0.412SS*.Hα-helixtrans-71-43.4178.3-76.2-177.2-60.5132.22.3111.8G5 E6 E7 L12 E13G5-R9 VanDerWaalsContact O-CG 3.24Å; G5-R9 WeakPolarHBondContact O-CG 3.41Å; G5-R9 PolarHBondContact O-NE 2.85Å; E6-R9 PolarHBondContact O-N 3.45Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 3.47Å; R9-L12 PolarHBondContact O-N 3.26Å; R9-E13 PolarHBondContact O-N 2.99Å
10N94.5Very high91.5Very high86 Ų8680.8 Ų80.846%0.4642%0.422SS..Hα-helixtrans-63.9-41.6178-70.3-21.3000111.3E6 E7 A14E6-N10 VanDerWaalsContact O-CG 3.28Å; E6-N10 PolarHBondContact O-N 3.21Å; E6-N10 PolarHBondContact O-ND2 2.92Å; E7-N10 PolarHBondContact O-N 3.33Å; N10-A14 WeakPolarHBondContact O-CB 3.38Å; N10-A14 PolarHBondContact O-N 3.41Å; N10-A14 VanDerWaalsContact O-N 3.09Å
11E95.4Very high91.6Very high14 Ų1484.4 Ų84.47%0.06544%0.441CS..Hα-helixtrans-65.4-43.6174.8-174.7176.7-145.900111.3E7 E13 A14 L15 Y56 Y60 V98 M99 I100E7-E11 WeakPolarHBondContact O-CB 3.21Å; E7-E11 PolarHBondContact O-N 3.42Å; E11-E13 PolarHBondContact O-N 3.07Å; E11-A14 WeakPolarHBondContact O-CB 3.42Å; E11-A14 PolarHBondContact O-N 2.84Å; E11-L15 HydrophobicContact CG-CD1 3.89Å; E11-L15 HydrophobicContact CG-CG 4.19Å; E11-L15 VanDerWaalsContact O-CG 3.27Å; E11-L15 WeakPolarHBondContact O-CG 3.36Å; E11-L15 PolarHBondContact O-N 2.96Å; E11-Y56 PolarHBondContact OE2-OH 3.43Å; E11-Y60 VanDerWaalsContact CD-OH 3.24Å; E11-Y60 PolarHBondContact OE1-OH 2.8Å; E11-Y60 VanDerWaalsContact OE1-OH 3.1Å; E11-Y60 WeakPolarHBondContact OE2-CE1 3.23Å; E11-Y60 VanDerWaalsContact OE2-CZ 3.23Å; E11-Y60 PolarHBondContact OE2-OH 3.03Å; E11-V98 HydrophobicContact CB-CB 4.35Å; E11-V98 HydrophobicContact CB-CG1 4.08Å; E11-V98 HydrophobicContact CG-CB 4.23Å; E11-V98 HydrophobicContact CG-CG1 4.46Å; E11-V98 WeakPolarHBondContact OE1-CB 3.35Å; E11-M99 PolarHBondContact OE1-N 2.86Å; E11-I100 VanDerWaalsContact OE1-CB 3.26Å; E11-I100 WeakPolarHBondContact OE1-CB 3.4Å; E11-I100 WeakPolarHBondContact OE1-CG1 3.39Å; E11-I100 PolarHBondContact OE1-N 3.19Å
12L94.1Very high93Very high39 Ų3974.9 Ų74.920%0.20440%0.399CS..Hα-helixtrans-57.1-48.1176.7-97.3167.3000112.7Q8 R9 A14 L15 E16 F23 P31 F33 Y56Q8-L12 WeakPolarHBondContact O-CB 3.49Å; Q8-L12 PolarHBondContact O-N 2.95Å; R9-L12 PolarHBondContact O-N 3.26Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-E16 WeakPolarHBondContact O-CB 3.27Å; L12-E16 PolarHBondContact O-N 2.82Å; L12-F23 HydrophobicContact CD2-CE1 4.35Å; L12-F23 HydrophobicContact CD2-CE2 4.04Å; L12-F23 HydrophobicContact CD2-CZ 3.38Å; L12-P31 HydrophobicContact CD1-CB 4.4Å; L12-F33 HydrophobicContact CD2-CD1 3.7Å; L12-F33 HydrophobicContact CD2-CE1 3.94Å; L12-F33 HydrophobicContact CD2-CG 4.21Å; L12-F33 HydrophobicContact CG-CE1 4.39Å; L12-Y56 HydrophobicContact CD1-CD2 4.47Å; L12-Y56 HydrophobicContact CD1-CE2 3.78Å; L12-Y56 HydrophobicContact CG-CE2 3.84Å
13E95Very high93.9Very high137 Ų13772.5 Ų72.564%0.6438%0.382SS*.Hα-helixtrans-63.1-38.5178.3-173.4175.1-171.200111.4R9 E11 S17R9-E13 PolarHBondContact O-N 2.99Å; E11-E13 PolarHBondContact O-N 3.07Å; E13-S17 PolarHBondContact O-N 3.37Å; E13-S17 VanDerWaalsContact O-N 3.13Å
14A96.4Very high94.2Very high45 Ų4571.1 Ų71.137%0.37238%0.378SS..Hα-helixtrans-64.8-45.4174.800000111.9N10 E11 L12 S17 I18N10-A14 WeakPolarHBondContact O-CB 3.38Å; N10-A14 PolarHBondContact O-N 3.41Å; N10-A14 VanDerWaalsContact O-N 3.09Å; E11-A14 WeakPolarHBondContact O-CB 3.42Å; E11-A14 PolarHBondContact O-N 2.84Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 3.47Å; A14-S17 PolarHBondContact O-N 2.92Å; A14-I18 WeakPolarHBondContact O-CD1 3.33Å; A14-I18 WeakPolarHBondContact O-CG1 3.14Å; A14-I18 PolarHBondContact O-N 3.36Å
15L96.4Very high94.4Very high3 Ų371.7 Ų71.72%0.01639%0.388CS..Hα-helixtrans-64.8-40.4179-69169.7000112.1E11 L12 S17 I18 Y19 F23 F33 I35 I100 F101E11-L15 HydrophobicContact CG-CD1 3.89Å; E11-L15 HydrophobicContact CG-CG 4.19Å; E11-L15 VanDerWaalsContact O-CG 3.27Å; E11-L15 WeakPolarHBondContact O-CG 3.36Å; E11-L15 PolarHBondContact O-N 2.96Å; L12-L15 PolarHBondContact O-N 3.38Å; L15-S17 PolarHBondContact O-N 3.42Å; L15-I18 PolarHBondContact O-N 2.94Å; L15-Y19 HydrophobicContact CD2-CD2 4.16Å; L15-Y19 HydrophobicContact CD2-CE2 3.92Å; L15-Y19 PolarHBondContact O-N 3.34Å; L15-F23 HydrophobicContact CB-CD2 4.15Å; L15-F23 HydrophobicContact CB-CE2 4.08Å; L15-F33 HydrophobicContact CD1-CE2 3.99Å; L15-F33 HydrophobicContact CD1-CZ 3.96Å; L15-I35 HydrophobicContact CD1-CD1 4.37Å; L15-I35 HydrophobicContact CD2-CD1 4.21Å; L15-I100 HydrophobicContact CD1-CB 3.83Å; L15-I100 HydrophobicContact CD1-CG1 4.35Å; L15-I100 HydrophobicContact CD1-CG2 3.53Å; L15-I100 HydrophobicContact CD2-CB 4.45Å; L15-I100 HydrophobicContact CD2-CG2 4.08Å; L15-I100 HydrophobicContact CG-CG2 4.46Å; L15-F101 HydrophobicContact CD2-CB 4.38Å
16E94.9Very high94.5Very high119 Ų11974.4 Ų74.456%0.55639%0.394SS*.Hα-helixtrans-60.8-36.8174.4-172.6175.9-166.600111.2L12 P20 F23L12-E16 WeakPolarHBondContact O-CB 3.27Å; L12-E16 PolarHBondContact O-N 2.82Å; E16-P20 WeakPolarHBondContact O-CA 3.08Å; E16-F23 HydrophobicContact CB-CD1 4.19Å; E16-F23 HydrophobicContact CB-CE1 4.25Å; E16-F23 HydrophobicContact CG-CD1 4.31Å
17S96.4Very high94.5Very high97 Ų9772.3 Ų72.368%0.67839%0.39SS*.Hα-helixtrans-75-32.8175.3-174.40000113.9E13 A14 L15E13-S17 PolarHBondContact O-N 3.37Å; E13-S17 VanDerWaalsContact O-N 3.13Å; A14-S17 PolarHBondContact O-N 2.92Å; L15-S17 PolarHBondContact O-N 3.42Å
18I96.1Very high94.3Very high84 Ų8477.4 Ų77.443%0.43141%0.414SS..Hα-helixtrans-77.4-38.2-179.2-66.8162.6000110.4A14 L15 P20 F101A14-I18 WeakPolarHBondContact O-CD1 3.33Å; A14-I18 WeakPolarHBondContact O-CG1 3.14Å; A14-I18 PolarHBondContact O-N 3.36Å; L15-I18 PolarHBondContact O-N 2.94Å; I18-P20 VanDerWaalsContact O-CD 3.31Å; I18-P20 WeakPolarHBondContact O-CD 3.24Å; I18-F101 HydrophobicContact CD1-CD2 4.02Å; I18-F101 HydrophobicContact CD1-CE2 4.3Å; I18-F101 HydrophobicContact CG2-CE2 4.21Å
19Y95Very high93.9Very high36 Ų3683.5 Ų83.514%0.14145%0.447CS..  trans-12257.7-172.9-56.5-69.5000112.4L15 D21 S22 F23 I35 F101 V104L15-Y19 HydrophobicContact CD2-CD2 4.16Å; L15-Y19 HydrophobicContact CD2-CE2 3.92Å; L15-Y19 PolarHBondContact O-N 3.34Å; Y19-D21 PolarHBondContact O-N 2.97Å; Y19-D21 VanDerWaalsContact O-N 3.15Å; Y19-S22 PolarHBondContact O-N 2.95Å; Y19-F23 WeakPolarHBondContact O-CB 3.42Å; Y19-F23 PolarHBondContact O-N 3.1Å; Y19-I35 HydrophobicContact CD2-CD1 4.35Å; Y19-I35 HydrophobicContact CD2-CG2 4.47Å; Y19-I35 HydrophobicContact CG-CG2 4.47Å; Y19-F101 HydrophobicContact CE2-CD2 4.25Å; Y19-F101 WeakPolarHBondContact OH-CD2 3.2Å; Y19-F101 WeakPolarHBondContact OH-CE2 3.49Å; Y19-V104 HydrophobicContact CE1-CG1 4.29Å; Y19-V104 HydrophobicContact CE2-CG1 4.27Å; Y19-V104 WeakPolarHBondContact OH-CG1 3.4Å
20P93.3Very high93.6Very high92 Ų9279.2 Ų79.260%0.59744%0.44SS*.THydrogen-bonded Turntrans-60.2-32.4-172.325.4-35.5000113.7E16 I18E16-P20 WeakPolarHBondContact O-CA 3.08Å; I18-P20 VanDerWaalsContact O-CD 3.31Å; I18-P20 WeakPolarHBondContact O-CD 3.24Å
21D93.9Very high93.4Very high157 Ų15776.5 Ų76.584%0.8443%0.427SS*.THydrogen-bonded Turntrans-97.2-12.8-177-58.7-47.5000113.3Y19Y19-D21 PolarHBondContact O-N 2.97Å; Y19-D21 VanDerWaalsContact O-N 3.15Å
22S93.9Very high93.4Very high42 Ų4276.4 Ų76.429%0.29443%0.428SS..THydrogen-bonded Turntrans-119.8-2.9-171.9-51.70000113.5Y19 I35 T36Y19-S22 PolarHBondContact O-N 2.95Å; S22-I35 WeakPolarHBondContact O-CA 3.23Å; S22-T36 WeakPolarHBondContact CB-O 3.43Å; S22-T36 PolarHBondContact O-N 3.25Å
23F95.7Very high93.5Very high20 Ų2074.6 Ų74.69%0.08842%0.419CS..EExtended strand (participates in β ladder)trans-100.7136.6177.9-179.4-92.3000110.9L12 L15 E16 Y19 V25 F33 T34 I35L12-F23 HydrophobicContact CD2-CE1 4.35Å; L12-F23 HydrophobicContact CD2-CE2 4.04Å; L12-F23 HydrophobicContact CD2-CZ 3.38Å; L15-F23 HydrophobicContact CB-CD2 4.15Å; L15-F23 HydrophobicContact CB-CE2 4.08Å; E16-F23 HydrophobicContact CB-CD1 4.19Å; E16-F23 HydrophobicContact CB-CE1 4.25Å; E16-F23 HydrophobicContact CG-CD1 4.31Å; Y19-F23 WeakPolarHBondContact O-CB 3.42Å; Y19-F23 PolarHBondContact O-N 3.1Å; F23-V25 HydrophobicContact CD1-CG2 4.42Å; F23-V25 HydrophobicContact CE1-CG2 3.41Å; F23-V25 VanDerWaalsContact CE1-CG2 3.41Å; F23-V25 HydrophobicContact CZ-CG2 3.91Å; F23-F33 HydrophobicContact CD2-CD2 4.05Å; F23-F33 HydrophobicContact CE2-CB 3.85Å; F23-F33 HydrophobicContact CE2-CD1 4.43Å; F23-F33 AromaticContact CE2-CD2 3.26Å; F23-F33 HydrophobicContact CE2-CD2 3.26Å; F23-F33 AromaticContact CE2-CE2 3.83Å; F23-F33 HydrophobicContact CE2-CE2 3.83Å; F23-F33 AromaticContact CE2-CG 3.59Å; F23-F33 HydrophobicContact CE2-CG 3.59Å; F23-F33 HydrophobicContact CZ-CB 3.7Å; F23-F33 HydrophobicContact CZ-CD1 4.46Å; F23-F33 AromaticContact CZ-CD2 3.97Å; F23-F33 HydrophobicContact CZ-CD2 3.97Å; F23-F33 AromaticContact CZ-CG 3.79Å; F23-F33 HydrophobicContact CZ-CG 3.79Å; F23-T34 WeakPolarHBondContact CA-O 3.39Å; F23-I35 HydrophobicContact CD2-CD1 4.11Å; F23-I35 HydrophobicContact CD2-CG1 3.79Å; F23-I35 HydrophobicContact CE2-CG1 4.42Å
24T95.3Very high93.7Very high80 Ų8068.7 Ų68.749%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-143.6124176.3-60.30000111F33 T34T24-F33 CarbonylContact O-C 3.59Å; T24-F33 VanDerWaalsContact O-CA 3.23Å; T24-F33 WeakPolarHBondContact O-CA 3.41Å; T24-F33 WeakPolarHBondContact O-CB 3.38Å; T24-T34 PolarHBondContact N-O 3.5Å; T24-T34 PolarHBondContact O-N 3.33Å; T24-T34 PolarHBondContact O-OG1 3.07Å
25V94.3Very high93.7Very high77 Ų7766.5 Ų66.547%0.46737%0.374SS..EExtended strand (participates in β ladder)trans-78.4129.2174.9-174.10000110F23F23-V25 HydrophobicContact CD1-CG2 4.42Å; F23-V25 HydrophobicContact CE1-CG2 3.41Å; F23-V25 VanDerWaalsContact CE1-CG2 3.41Å; F23-V25 HydrophobicContact CZ-CG2 3.91Å
26L93.4Very high93.7Very high90 Ų9068 Ų6847%0.47138%0.384SS..EExtended strand (participates in β ladder)trans-99.2-43.1177.7-63.5178.5000112.6S32 T34 K53L26-S32 WeakPolarHBondContact CA-O 3.36Å; L26-S32 WeakPolarHBondContact CB-O 3.48Å; L26-S32 PolarHBondContact N-O 3.28Å; L26-T34 HydrophobicContact CD1-CG2 3.73Å; L26-T34 HydrophobicContact CG-CG2 4.27Å; L26-K53 HydrophobicContact CD1-CD 4.1Å; L26-K53 HydrophobicContact CD1-CG 4.09Å
27S92.4Very high93.8Very high53 Ų5362.7 Ų62.737%0.37136%0.359SS..EExtended strand (participates in β ladder)trans-153150.2-177.8-168.80000110.8P31 S32S27-P31 CarbonylContact O-C 3.6Å; S27-P31 WeakPolarHBondContact O-CA 3.43Å; S27-S32 PolarHBondContact N-O 2.85Å; S27-S32 PolarHBondContact O-N 3.05Å
28E86.2Confident93.7Very high173 Ų17360.3 Ų60.381%0.80834%0.341SS*.EExtended strand (participates in β ladder)trans-95-16.7177.5-66.9179.1-174.600112.7
29N86.9Confident93.6Very high149 Ų14956.7 Ų56.780%0.79732%0.323SS*.THydrogen-bonded Turntrans-151102.1-177.1-143.1-7.4000112.9
30P86.1Confident93.4Very high71 Ų7161.9 Ų61.946%0.46135%0.348SS..THydrogen-bonded Turncis-66150.2-6.428.4-33.8000111.7S32 T55P30-S32 PolarHBondContact O-N 3.04Å; P30-S32 VanDerWaalsContact O-N 3.1Å; P30-S32 PolarHBondContact O-OG 3.16Å; P30-T55 HydrophobicContact CB-CG2 4.09Å; P30-T55 HydrophobicContact CG-CG2 3.95Å
31P90.6Very high92.9Very high28 Ų2860.5 Ų60.518%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-60.2116.6179.6-16.728.3000110L12 S27 T55 Y56L12-P31 HydrophobicContact CD1-CB 4.4Å; S27-P31 CarbonylContact O-C 3.6Å; S27-P31 WeakPolarHBondContact O-CA 3.43Å; P31-T55 WeakPolarHBondContact O-CA 3.43Å; P31-Y56 HydrophobicContact CB-CD2 3.72Å; P31-Y56 HydrophobicContact CB-CG 4.42Å; P31-Y56 HydrophobicContact CG-CD2 4.14Å; P31-Y56 PolarHBondContact O-N 3.32Å
32S95.4Very high92Very high13 Ų1354 Ų549%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-135.1133.3-175.7-49.90000109.4L26 S27 P30 F54 T55L26-S32 WeakPolarHBondContact CA-O 3.36Å; L26-S32 WeakPolarHBondContact CB-O 3.48Å; L26-S32 PolarHBondContact N-O 3.28Å; S27-S32 PolarHBondContact N-O 2.85Å; S27-S32 PolarHBondContact O-N 3.05Å; P30-S32 PolarHBondContact O-N 3.04Å; P30-S32 VanDerWaalsContact O-N 3.1Å; P30-S32 PolarHBondContact O-OG 3.16Å; S32-F54 VanDerWaalsContact CA-O 3.3Å; S32-F54 WeakPolarHBondContact CA-O 3.33Å; S32-T55 WeakPolarHBondContact OG-CG2 3.3Å; S32-T55 PolarHBondContact OG-OG1 3.09Å
33F96.7Very high91Very high1 Ų158.9 Ų58.90%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-151164.5-177.957.6-90.7000110.6L12 L15 F23 T24 I35 K53 F54 Y56 I100L12-F33 HydrophobicContact CD2-CD1 3.7Å; L12-F33 HydrophobicContact CD2-CE1 3.94Å; L12-F33 HydrophobicContact CD2-CG 4.21Å; L12-F33 HydrophobicContact CG-CE1 4.39Å; L15-F33 HydrophobicContact CD1-CE2 3.99Å; L15-F33 HydrophobicContact CD1-CZ 3.96Å; F23-F33 HydrophobicContact CD2-CD2 4.05Å; F23-F33 HydrophobicContact CE2-CB 3.85Å; F23-F33 HydrophobicContact CE2-CD1 4.43Å; F23-F33 AromaticContact CE2-CD2 3.26Å; F23-F33 HydrophobicContact CE2-CD2 3.26Å; F23-F33 AromaticContact CE2-CE2 3.83Å; F23-F33 HydrophobicContact CE2-CE2 3.83Å; F23-F33 AromaticContact CE2-CG 3.59Å; F23-F33 HydrophobicContact CE2-CG 3.59Å; F23-F33 HydrophobicContact CZ-CB 3.7Å; F23-F33 HydrophobicContact CZ-CD1 4.46Å; F23-F33 AromaticContact CZ-CD2 3.97Å; F23-F33 HydrophobicContact CZ-CD2 3.97Å; F23-F33 AromaticContact CZ-CG 3.79Å; F23-F33 HydrophobicContact CZ-CG 3.79Å; T24-F33 CarbonylContact O-C 3.59Å; T24-F33 VanDerWaalsContact O-CA 3.23Å; T24-F33 WeakPolarHBondContact O-CA 3.41Å; T24-F33 WeakPolarHBondContact O-CB 3.38Å; F33-I35 HydrophobicContact CD2-CD1 4.32Å; F33-I35 HydrophobicContact CD2-CG1 4.13Å; F33-I35 HydrophobicContact CE2-CD1 3.92Å; F33-I35 HydrophobicContact CE2-CG1 4.22Å; F33-K53 WeakPolarHBondContact O-CA 3.45Å; F33-F54 HydrophobicContact CD2-CB 4.33Å; F33-F54 HydrophobicContact CD2-CD2 4.41Å; F33-F54 HydrophobicContact CE1-CB 4.23Å; F33-F54 HydrophobicContact CE2-CB 3.8Å; F33-F54 AromaticContact CE2-CD2 3.8Å; F33-F54 HydrophobicContact CE2-CD2 3.8Å; F33-F54 HydrophobicContact CE2-CG 4.19Å; F33-F54 HydrophobicContact CZ-CB 3.75Å; F33-F54 HydrophobicContact CZ-CD2 4.44Å; F33-F54 HydrophobicContact CZ-CG 4.41Å; F33-F54 PolarHBondContact N-O 2.9Å; F33-F54 PolarHBondContact O-N 3.33Å; F33-Y56 HydrophobicContact CE1-CD1 4.41Å; F33-Y56 HydrophobicContact CE1-CD2 4.47Å; F33-Y56 AromaticContact CE1-CE1 3.82Å; F33-Y56 HydrophobicContact CE1-CE1 3.82Å; F33-Y56 AromaticContact CE1-CE2 3.89Å; F33-Y56 HydrophobicContact CE1-CE2 3.89Å; F33-Y56 AromaticContact CE1-CZ 3.51Å; F33-Y56 AromaticContact CZ-CE1 3.99Å; F33-Y56 HydrophobicContact CZ-CE1 3.99Å; F33-Y56 AromaticContact CZ-CZ 3.86Å; F33-I100 HydrophobicContact CE2-CG2 3.97Å; F33-I100 HydrophobicContact CZ-CD1 4.31Å; F33-I100 HydrophobicContact CZ-CG1 4.13Å; F33-I100 HydrophobicContact CZ-CG2 4.09Å
34T97.5Very high89.9Confident12 Ų1263.4 Ų63.47%0.07436%0.358CS..EExtended strand (participates in β ladder)trans-119.9144.2176.1500000111.3F23 T24 L26 T51 L52 K53F23-T34 WeakPolarHBondContact CA-O 3.39Å; T24-T34 PolarHBondContact N-O 3.5Å; T24-T34 PolarHBondContact O-N 3.33Å; T24-T34 PolarHBondContact O-OG1 3.07Å; L26-T34 HydrophobicContact CD1-CG2 3.73Å; L26-T34 HydrophobicContact CG-CG2 4.27Å; T34-T51 HydrophobicContact CG2-CG2 4.15Å; T34-L52 CarbonylContact C-O 3.59Å; T34-L52 WeakPolarHBondContact CA-O 3.48Å; T34-K53 HydrophobicContact CG2-CB 3.83Å; T34-K53 HydrophobicContact CG2-CG 4.16Å
35I97.6Very high89Confident0 Ų066.2 Ų66.20%037%0.37CS..EExtended strand (participates in β ladder)trans-124.7120.9171.5-61.1178.7000108.1L15 Y19 S22 F23 F33 V37 L52 F54 I100 V104L15-I35 HydrophobicContact CD1-CD1 4.37Å; L15-I35 HydrophobicContact CD2-CD1 4.21Å; Y19-I35 HydrophobicContact CD2-CD1 4.35Å; Y19-I35 HydrophobicContact CD2-CG2 4.47Å; Y19-I35 HydrophobicContact CG-CG2 4.47Å; S22-I35 WeakPolarHBondContact O-CA 3.23Å; F23-I35 HydrophobicContact CD2-CD1 4.11Å; F23-I35 HydrophobicContact CD2-CG1 3.79Å; F23-I35 HydrophobicContact CE2-CG1 4.42Å; F33-I35 HydrophobicContact CD2-CD1 4.32Å; F33-I35 HydrophobicContact CD2-CG1 4.13Å; F33-I35 HydrophobicContact CE2-CD1 3.92Å; F33-I35 HydrophobicContact CE2-CG1 4.22Å; I35-V37 HydrophobicContact CG2-CG2 4.16Å; I35-L52 PolarHBondContact N-O 3.01Å; I35-L52 PolarHBondContact O-N 3.19Å; I35-F54 HydrophobicContact CD1-CE2 4.45Å; I35-I100 HydrophobicContact CD1-CG2 3.9Å; I35-V104 HydrophobicContact CB-CG2 4.33Å; I35-V104 HydrophobicContact CD1-CG2 3.81Å; I35-V104 HydrophobicContact CG2-CG1 4.17Å; I35-V104 HydrophobicContact CG2-CG2 4.06Å
36T97.1Very high88.4Confident35 Ų3565.8 Ų65.822%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-85.3125.4172.1-54.20000109.4S22 Q49 T51S22-T36 WeakPolarHBondContact CB-O 3.43Å; S22-T36 PolarHBondContact O-N 3.25Å; T36-Q49 HydrophobicContact CG2-CG 3.64Å; T36-T51 PolarHBondContact OG1-OG1 2.6Å
37V96.2Very high88.3Confident6 Ų663.8 Ų63.84%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-117.7126.1178.5-166.60000108.2I35 Q49 T50 L52 V104 Q108 L111I35-V37 HydrophobicContact CG2-CG2 4.16Å; V37-Q49 WeakPolarHBondContact O-CA 3.33Å; V37-Q49 WeakPolarHBondContact O-CG 3.3Å; V37-T50 HydrophobicContact CB-CG2 4.43Å; V37-T50 PolarHBondContact N-O 2.9Å; V37-T50 PolarHBondContact O-N 3.47Å; V37-L52 HydrophobicContact CG2-CD1 4.29Å; V37-V104 HydrophobicContact CG2-CG1 3.83Å; V37-Q108 HydrophobicContact CG1-CB 3.66Å; V37-Q108 HydrophobicContact CG1-CG 3.98Å; V37-L111 HydrophobicContact CB-CD1 3.99Å; V37-L111 HydrophobicContact CG1-CD1 3.82Å; V37-L111 WeakPolarHBondContact O-CD1 3.39Å
38T94.7Very high88.4Confident48 Ų4861.3 Ų61.329%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-116.8140177.9-46.50000108.3T47 V48 Q49T38-T47 HydrophobicContact CG2-CG2 4.24Å; T38-V48 WeakPolarHBondContact CA-O 3.38Å; T38-Q49 HydrophobicContact CG2-CB 4.41Å; T38-Q49 PolarHBondContact OG1-NE2 3.42Å
39S94.2Very high88.8Confident8 Ų855.8 Ų55.86%0.05631%0.311CS..PPolyproline II helixtrans-63.8163.3170.5710000111.3T47 V48 N112S39-T47 WeakPolarHBondContact OG-CA 3.37Å; S39-V48 PolarHBondContact N-O 3.48Å; S39-V48 PolarHBondContact OG-N 2.85Å; S39-N112 VanDerWaalsContact CA-OD1 3.24Å; S39-N112 WeakPolarHBondContact CA-OD1 3.18Å; S39-N112 WeakPolarHBondContact CB-OD1 3.45Å
40E90.3Very high89.3Confident144 Ų14448.7 Ų48.767%0.67327%0.273SS*.PPolyproline II helixtrans-59.9150.8160.3-73.7-176.4168.700110.2G42 N112E40-G42 PolarHBondContact O-N 2.78Å; E40-N112 PolarHBondContact N-OD1 2.98Å
41A83Confident89.8Confident63 Ų6345.9 Ų45.952%0.52126%0.255SS..PPolyproline II helixtrans-65.7120.7177.800000109.1T47A41-T47 HydrophobicContact CB-CG2 4.19Å
42G74.8Confident90.1Very high20 Ų2044.6 Ų44.621%0.20625%0.246CC..  trans-66177.416900000111.4E40 N44 D45 E46E40-G42 PolarHBondContact O-N 2.78Å; G42-N44 PolarHBondContact O-N 3.48Å; G42-D45 PolarHBondContact O-N 2.9Å; G42-E46 PolarHBondContact N-O 3.16Å
43E71.7Confident90.2Very high145 Ų14546.3 Ų46.368%0.67825%0.252SS*.THydrogen-bonded Turntrans-61.1-17.4-174-160.6168.2-157.700114.5K119E43-K119 WeakPolarHBondContact OE2-CE 3.46Å; E43-K119 IonicContact OE2-NZ 2.84Å; E43-K119 PolarHBondContact OE2-NZ 3.26Å
44N72.8Confident90.3Very high115 Ų11546.2 Ų46.262%0.61525%0.252SS*.THydrogen-bonded Turntrans-110.722.8178-64.2-44.4000113.8G42 E46G42-N44 PolarHBondContact O-N 3.48Å; N44-E46 HydrophobicContact CB-CG 4.4Å; N44-E46 PolarHBondContact O-N 3.32Å; N44-E46 VanDerWaalsContact O-N 3.1Å
45D77.3Confident90.2Very high140 Ų14046.5 Ų46.575%0.74925%0.254SS*.SBendtrans58.117.3-169.4-69.5-46000113.6G42G42-D45 PolarHBondContact O-N 2.9Å
46E82.5Confident90.1Very high67 Ų6746.8 Ų46.831%0.31326%0.255SS..  trans-75.6128.6173-77.9-178.3124.700109.6G42 N44 R122G42-E46 PolarHBondContact N-O 3.16Å; N44-E46 HydrophobicContact CB-CG 4.4Å; N44-E46 PolarHBondContact O-N 3.32Å; N44-E46 VanDerWaalsContact O-N 3.1Å; E46-R122 IonicContact OE1-CZ 3.76Å; E46-R122 VanDerWaalsContact OE1-CZ 3.23Å; E46-R122 IonicContact OE1-NH1 3.94Å; E46-R122 PolarHBondContact OE1-NH1 3.3Å; E46-R122 IonicContact OE1-NH2 2.77Å; E46-R122 PolarHBondContact OE1-NH2 3.3Å; E46-R122 IonicContact OE2-CZ 3.25Å; E46-R122 IonicContact OE2-NH1 3.23Å; E46-R122 PolarHBondContact OE2-NH1 3.38Å; E46-R122 IonicContact OE2-NH2 2.78Å
47T91Very high89.9Confident48 Ų4846.2 Ų46.229%0.29425%0.252SS..  trans-128.7145.817750.40000109.4T38 S39 A41 N74T38-T47 HydrophobicContact CG2-CG2 4.24Å; S39-T47 WeakPolarHBondContact OG-CA 3.37Å; A41-T47 HydrophobicContact CB-CG2 4.19Å; T47-N74 PolarHBondContact O-ND2 3.01Å
48V93.6Very high89.7Confident2 Ų254.7 Ų54.71%0.01229%0.291CS..  trans-104.4141.2168.1-60.20000108.6T38 S39 N74 L75 L111 V115 I118T38-V48 WeakPolarHBondContact CA-O 3.38Å; S39-V48 PolarHBondContact N-O 3.48Å; S39-V48 PolarHBondContact OG-N 2.85Å; V48-N74 HydrophobicContact CG1-CB 3.95Å; V48-N74 VanDerWaalsContact CG1-O 3.28Å; V48-N74 WeakPolarHBondContact CG1-O 3.31Å; V48-L75 HydrophobicContact CB-CD2 3.93Å; V48-L75 HydrophobicContact CB-CG 4.23Å; V48-L75 HydrophobicContact CG1-CD2 4.24Å; V48-L75 HydrophobicContact CG2-CD2 4.27Å; V48-L111 HydrophobicContact CG2-CB 3.82Å; V48-L111 HydrophobicContact CG2-CD2 3.81Å; V48-L111 HydrophobicContact CG2-CG 4.32Å; V48-L111 WeakPolarHBondContact CG2-O 3.26Å; V48-V115 HydrophobicContact CG1-CB 4.47Å; V48-V115 HydrophobicContact CG2-CB 4.32Å; V48-I118 HydrophobicContact CG1-CD1 3.83Å
49Q95.4Very high89.6Confident57 Ų5758 Ų5827%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-134.4141.5-176.8-179176.888.300110.8T36 V37 T38 Q72 E73T36-Q49 HydrophobicContact CG2-CG 3.64Å; V37-Q49 WeakPolarHBondContact O-CA 3.33Å; V37-Q49 WeakPolarHBondContact O-CG 3.3Å; T38-Q49 HydrophobicContact CG2-CB 4.41Å; T38-Q49 PolarHBondContact OG1-NE2 3.42Å; Q49-Q72 WeakPolarHBondContact O-CA 3.38Å; Q49-E73 HydrophobicContact CB-CB 4.27Å; Q49-E73 PolarHBondContact N-O 2.9Å; Q49-E73 VanDerWaalsContact N-O 3.07Å; Q49-E73 PolarHBondContact O-N 3.01Å
50T96.6Very high89.6Confident0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-137.6140.4170.3-1610000111V37 L52 S71 V107 L111V37-T50 HydrophobicContact CB-CG2 4.43Å; V37-T50 PolarHBondContact N-O 2.9Å; V37-T50 PolarHBondContact O-N 3.47Å; T50-L52 HydrophobicContact CG2-CD2 4.08Å; T50-L52 HydrophobicContact CG2-CG 4.17Å; T50-S71 WeakPolarHBondContact CA-O 3.31Å; T50-S71 PolarHBondContact OG1-O 2.87Å; T50-V107 HydrophobicContact CG2-CG1 3.74Å; T50-L111 HydrophobicContact CG2-CD1 4.01Å; T50-L111 HydrophobicContact CG2-CD2 4.38Å
51T97.2Very high89.9Confident11 Ų1150.8 Ų50.87%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-105.9110.6174.2-55.70000108.3T34 T36 F70 S71T34-T51 HydrophobicContact CG2-CG2 4.15Å; T36-T51 PolarHBondContact OG1-OG1 2.6Å; T51-F70 HydrophobicContact CG2-CB 4.26Å; T51-F70 HydrophobicContact CG2-CD1 4.45Å; T51-F70 PolarHBondContact O-N 3.1Å; T51-S71 WeakPolarHBondContact CB-OG 3.36Å; T51-S71 PolarHBondContact N-O 3.33Å; T51-S71 PolarHBondContact OG1-OG 3Å
52L97.4Very high90.4Very high1 Ų151.4 Ų51.41%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-89.8128.4178.5-58.5175.5000109.2T34 I35 V37 T50 F54 I69 L87 V107T34-L52 CarbonylContact C-O 3.59Å; T34-L52 WeakPolarHBondContact CA-O 3.48Å; I35-L52 PolarHBondContact N-O 3.01Å; I35-L52 PolarHBondContact O-N 3.19Å; V37-L52 HydrophobicContact CG2-CD1 4.29Å; T50-L52 HydrophobicContact CG2-CD2 4.08Å; T50-L52 HydrophobicContact CG2-CG 4.17Å; L52-F54 HydrophobicContact CB-CD2 4.33Å; L52-F54 HydrophobicContact CB-CE2 3.62Å; L52-F54 HydrophobicContact CB-CZ 3.87Å; L52-F54 HydrophobicContact CD1-CE2 4.1Å; L52-F54 HydrophobicContact CD1-CZ 3.81Å; L52-F54 HydrophobicContact CG-CZ 4.47Å; L52-I69 HydrophobicContact CD2-CG1 3.92Å; L52-L87 HydrophobicContact CD2-CD1 4.16Å; L52-V107 HydrophobicContact CD1-CB 4.11Å; L52-V107 HydrophobicContact CD1-CG1 4.12Å; L52-V107 HydrophobicContact CD1-CG2 3.91Å
53K97.4Very high91.3Very high49 Ų4955.1 Ų55.121%0.21327%0.273CS..EExtended strand (participates in β ladder)trans-99.9122.9170.3177.5-176.8157.1-142.50108.5L26 F33 T34 Y67 E68 F70L26-K53 HydrophobicContact CD1-CD 4.1Å; L26-K53 HydrophobicContact CD1-CG 4.09Å; F33-K53 WeakPolarHBondContact O-CA 3.45Å; T34-K53 HydrophobicContact CG2-CB 3.83Å; T34-K53 HydrophobicContact CG2-CG 4.16Å; K53-Y67 VanDerWaalsContact O-CA 3.31Å; K53-Y67 WeakPolarHBondContact O-CA 3.35Å; K53-E68 PolarHBondContact N-O 2.89Å; K53-E68 IonicContact NZ-OE2 3.94Å; K53-E68 PolarHBondContact NZ-OE2 3.15Å; K53-E68 PolarHBondContact O-N 2.85Å; K53-F70 HydrophobicContact CB-CB 4.26Å; K53-F70 HydrophobicContact CD-CD2 4.46Å
54F97.1Very high92.4Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-108.6143.4173.7-63.3-75.2000110.3S32 F33 I35 L52 L66 I100 L103 V104S32-F54 VanDerWaalsContact CA-O 3.3Å; S32-F54 WeakPolarHBondContact CA-O 3.33Å; F33-F54 HydrophobicContact CD2-CB 4.33Å; F33-F54 HydrophobicContact CD2-CD2 4.41Å; F33-F54 HydrophobicContact CE1-CB 4.23Å; F33-F54 HydrophobicContact CE2-CB 3.8Å; F33-F54 AromaticContact CE2-CD2 3.8Å; F33-F54 HydrophobicContact CE2-CD2 3.8Å; F33-F54 HydrophobicContact CE2-CG 4.19Å; F33-F54 HydrophobicContact CZ-CB 3.75Å; F33-F54 HydrophobicContact CZ-CD2 4.44Å; F33-F54 HydrophobicContact CZ-CG 4.41Å; F33-F54 PolarHBondContact N-O 2.9Å; F33-F54 PolarHBondContact O-N 3.33Å; I35-F54 HydrophobicContact CD1-CE2 4.45Å; L52-F54 HydrophobicContact CB-CD2 4.33Å; L52-F54 HydrophobicContact CB-CE2 3.62Å; L52-F54 HydrophobicContact CB-CZ 3.87Å; L52-F54 HydrophobicContact CD1-CE2 4.1Å; L52-F54 HydrophobicContact CD1-CZ 3.81Å; L52-F54 HydrophobicContact CG-CZ 4.47Å; F54-L66 CarbonylContact C-O 3.53Å; F54-L66 WeakPolarHBondContact CA-O 3.46Å; F54-I100 HydrophobicContact CB-CD1 4.1Å; F54-I100 HydrophobicContact CD1-CD1 3.72Å; F54-I100 HydrophobicContact CD2-CD1 4.43Å; F54-I100 HydrophobicContact CD2-CG2 4.02Å; F54-I100 HydrophobicContact CE1-CD1 4.22Å; F54-I100 HydrophobicContact CE2-CG2 4.03Å; F54-I100 HydrophobicContact CG-CD1 3.83Å; F54-I100 HydrophobicContact CG-CG2 4.45Å; F54-I100 HydrophobicContact CZ-CG2 4.49Å; F54-L103 HydrophobicContact CE1-CB 4.46Å; F54-L103 HydrophobicContact CE1-CD1 3.92Å; F54-L103 HydrophobicContact CZ-CB 4.33Å; F54-V104 HydrophobicContact CE2-CG2 3.98Å; F54-V104 HydrophobicContact CZ-CG2 4.31Å
55T96.3Very high93.5Very high18 Ų1844.6 Ų44.611%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-134.3121172.1-57.80000108.7P30 P31 S32 L66P30-T55 HydrophobicContact CB-CG2 4.09Å; P30-T55 HydrophobicContact CG-CG2 3.95Å; P31-T55 WeakPolarHBondContact O-CA 3.43Å; S32-T55 WeakPolarHBondContact OG-CG2 3.3Å; S32-T55 PolarHBondContact OG-OG1 3.09Å; T55-L66 PolarHBondContact N-O 3.46Å; T55-L66 PolarHBondContact O-N 3.02Å
56Y95.4Very high94.4Very high6 Ų643.4 Ų43.42%0.02422%0.22CC..  trans-68.9133.9179.6-68.7-31.5000111.1Q8 E11 L12 P31 F33 Y60 I100Q8-Y56 HydrophobicContact CB-CD2 3.71Å; Q8-Y56 HydrophobicContact CB-CE2 3.73Å; Q8-Y56 HydrophobicContact CG-CD2 3.62Å; Q8-Y56 HydrophobicContact CG-CE2 3.97Å; Q8-Y56 HydrophobicContact CG-CG 4.01Å; E11-Y56 PolarHBondContact OE2-OH 3.43Å; L12-Y56 HydrophobicContact CD1-CD2 4.47Å; L12-Y56 HydrophobicContact CD1-CE2 3.78Å; L12-Y56 HydrophobicContact CG-CE2 3.84Å; P31-Y56 HydrophobicContact CB-CD2 3.72Å; P31-Y56 HydrophobicContact CB-CG 4.42Å; P31-Y56 HydrophobicContact CG-CD2 4.14Å; P31-Y56 PolarHBondContact O-N 3.32Å; F33-Y56 HydrophobicContact CE1-CD1 4.41Å; F33-Y56 HydrophobicContact CE1-CD2 4.47Å; F33-Y56 AromaticContact CE1-CE1 3.82Å; F33-Y56 HydrophobicContact CE1-CE1 3.82Å; F33-Y56 AromaticContact CE1-CE2 3.89Å; F33-Y56 HydrophobicContact CE1-CE2 3.89Å; F33-Y56 AromaticContact CE1-CZ 3.51Å; F33-Y56 AromaticContact CZ-CE1 3.99Å; F33-Y56 HydrophobicContact CZ-CE1 3.99Å; F33-Y56 AromaticContact CZ-CZ 3.86Å; Y56-Y60 AromaticContact CD1-CD1 3.75Å; Y56-Y60 HydrophobicContact CD1-CD1 3.75Å; Y56-Y60 AromaticContact CD1-CE1 3.94Å; Y56-Y60 HydrophobicContact CD1-CE1 3.94Å; Y56-Y60 HydrophobicContact CD1-CG 4.05Å; Y56-Y60 AromaticContact CE1-CD1 3.96Å; Y56-Y60 HydrophobicContact CE1-CD1 3.96Å; Y56-Y60 AromaticContact CE1-CE1 3.65Å; Y56-Y60 HydrophobicContact CE1-CE1 3.65Å; Y56-Y60 HydrophobicContact CG-CD1 4.31Å; Y56-I100 HydrophobicContact CE1-CD1 4.02Å; Y56-I100 HydrophobicContact CE1-CG1 3.83Å
57S93.6Very high95Very high22 Ų2243.2 Ų43.215%0.15422%0.217CC..  trans-80.1159.7167.973.10000109.8Q8 K59 Y60 E63Q8-S57 PolarHBondContact NE2-O 2.81Å; S57-K59 PolarHBondContact O-N 2.97Å; S57-K59 VanDerWaalsContact O-N 3.08Å; S57-Y60 PolarHBondContact O-N 3.01Å; S57-Y60 WeakPolarHBondContact OG-CB 3.34Å; S57-Y60 PolarHBondContact OG-N 3Å; S57-Y60 VanDerWaalsContact OG-N 3.13Å; S57-E63 PolarHBondContact OG-O 3.39Å
58E91.5Very high95.2Very high185 Ų18545.9 Ų45.986%0.86423%0.226SC*.THydrogen-bonded Turntrans-61.6-19.6178.8-64-175.2169.700113.4Y4Y4-E58 WeakPolarHBondContact CD2-O 3.47Å
59K93.2Very high95.3Very high117 Ų11747.5 Ų47.551%0.50923%0.234SC..THydrogen-bonded Turntrans-111.84.2-177.8-62.9-175.9-168.7160.50113.7S57 D62 E63S57-K59 PolarHBondContact O-N 2.97Å; S57-K59 VanDerWaalsContact O-N 3.08Å; K59-D62 WeakPolarHBondContact O-CA 3.44Å; K59-D62 WeakPolarHBondContact O-CB 3.41Å; K59-D62 PolarHBondContact O-N 2.84Å; K59-E63 HydrophobicContact CB-CB 3.83Å; K59-E63 PolarHBondContact O-N 3.49Å
60Y94.4Very high95.3Very high0 Ų051.5 Ų51.50%025%0.251CS..THydrogen-bonded Turntrans-62.4132.5175.9176.3-88.6000110.3Y4 Q8 E11 Y56 S57 E63 P65 V98 M99Y4-Y60 WeakPolarHBondContact CB-O 3.36Å; Q8-Y60 HydrophobicContact CG-CD1 3.79Å; Q8-Y60 HydrophobicContact CG-CE1 4.47Å; Q8-Y60 PolarHBondContact NE2-O 2.81Å; E11-Y60 VanDerWaalsContact CD-OH 3.24Å; E11-Y60 PolarHBondContact OE1-OH 2.8Å; E11-Y60 VanDerWaalsContact OE1-OH 3.1Å; E11-Y60 WeakPolarHBondContact OE2-CE1 3.23Å; E11-Y60 VanDerWaalsContact OE2-CZ 3.23Å; E11-Y60 PolarHBondContact OE2-OH 3.03Å; Y56-Y60 AromaticContact CD1-CD1 3.75Å; Y56-Y60 HydrophobicContact CD1-CD1 3.75Å; Y56-Y60 AromaticContact CD1-CE1 3.94Å; Y56-Y60 HydrophobicContact CD1-CE1 3.94Å; Y56-Y60 HydrophobicContact CD1-CG 4.05Å; Y56-Y60 AromaticContact CE1-CD1 3.96Å; Y56-Y60 HydrophobicContact CE1-CD1 3.96Å; Y56-Y60 AromaticContact CE1-CE1 3.65Å; Y56-Y60 HydrophobicContact CE1-CE1 3.65Å; Y56-Y60 HydrophobicContact CG-CD1 4.31Å; S57-Y60 PolarHBondContact O-N 3.01Å; S57-Y60 WeakPolarHBondContact OG-CB 3.34Å; S57-Y60 PolarHBondContact OG-N 3Å; S57-Y60 VanDerWaalsContact OG-N 3.13Å; Y60-E63 WeakPolarHBondContact CA-O 3.43Å; Y60-E63 WeakPolarHBondContact CD2-O 3.4Å; Y60-P65 HydrophobicContact CD2-CB 4.01Å; Y60-P65 HydrophobicContact CD2-CG 4.16Å; Y60-P65 HydrophobicContact CE2-CB 4.17Å; Y60-P65 HydrophobicContact CE2-CG 3.93Å; Y60-V98 HydrophobicContact CE1-CG1 4.28Å; Y60-V98 WeakPolarHBondContact OH-CA 3.42Å; Y60-M99 HydrophobicContact CE2-CE 3.97Å; Y60-M99 HydrophobicContact CE2-CG 3.91Å; Y60-M99 HydrophobicContact CE2-SD 4.36Å; Y60-M99 PolarHBondContact OH-N 2.9Å
61P94.9Very high95.2Very high0 Ų054 Ų540%027%0.269CS..THydrogen-bonded Turncis-92.20.215.333.8-35.3000117.8E7 E63 G96 M97 V98E7-P61 WeakPolarHBondContact OE2-CD 3.42Å; P61-E63 PolarHBondContact O-N 3.42Å; P61-G96 PolarHBondContact O-N 2.89Å; P61-M97 VanDerWaalsContact CB-O 3.23Å; P61-M97 WeakPolarHBondContact CB-O 3.3Å; P61-V98 HydrophobicContact CG-CG1 4.47Å
62D93.8Very high95Very high76 Ų7657.1 Ų57.141%0.40628%0.282SS..THydrogen-bonded Turntrans-69-20.7177.5-761.3000112.7Y4 K59Y4-D62 HydrophobicContact CE1-CB 4.39Å; Y4-D62 PolarHBondContact OH-OD2 2.74Å; K59-D62 WeakPolarHBondContact O-CA 3.44Å; K59-D62 WeakPolarHBondContact O-CB 3.41Å; K59-D62 PolarHBondContact O-N 2.84Å
63E93.8Very high94.9Very high98 Ų9862.3 Ų62.346%0.45831%0.307SS..SBendtrans-122.4136.1172.6-173.3171.1177.500109.4S57 K59 Y60 P61S57-E63 PolarHBondContact OG-O 3.39Å; K59-E63 HydrophobicContact CB-CB 3.83Å; K59-E63 PolarHBondContact O-N 3.49Å; Y60-E63 WeakPolarHBondContact CA-O 3.43Å; Y60-E63 WeakPolarHBondContact CD2-O 3.4Å; P61-E63 PolarHBondContact O-N 3.42Å
64A95.1Very high94.5Very high36 Ų3664.9 Ų64.930%0.29832%0.323SS..PPolyproline II helixtrans-55.2144.4-17800000111.8A91 L95A64-A91 HydrophobicContact CB-CB 4.12Å; A64-L95 HydrophobicContact CB-CD2 4.22Å
65P95.4Very high94.3Very high3 Ų365.7 Ų65.72%0.01933%0.327CS..PPolyproline II helixtrans-69.2155.4173.731.2-32000109.5Y60 Y67 M99 I100 L103Y60-P65 HydrophobicContact CD2-CB 4.01Å; Y60-P65 HydrophobicContact CD2-CG 4.16Å; Y60-P65 HydrophobicContact CE2-CB 4.17Å; Y60-P65 HydrophobicContact CE2-CG 3.93Å; P65-Y67 VanDerWaalsContact O-CD1 3.27Å; P65-Y67 WeakPolarHBondContact O-CD1 3.39Å; P65-M99 HydrophobicContact CG-SD 4.46Å; P65-I100 HydrophobicContact CB-CD1 4.14Å; P65-I100 HydrophobicContact CG-CD1 3.82Å; P65-L103 HydrophobicContact CG-CD1 4.16Å
66L96.1Very high94.1Very high116 Ų11669.3 Ų69.361%0.60734%0.343SS*.EExtended strand (participates in β ladder)trans-76.1129.4166.6-65.3172000108F54 T55F54-L66 CarbonylContact C-O 3.53Å; F54-L66 WeakPolarHBondContact CA-O 3.46Å; T55-L66 PolarHBondContact N-O 3.46Å; T55-L66 PolarHBondContact O-N 3.02Å
67Y96.3Very high94Very high62 Ų6275.4 Ų75.424%0.24338%0.376CS..EExtended strand (participates in β ladder)trans-127.5139.3177.949.6-95.8000110.7K53 P65 L84 L87 A88 A91K53-Y67 VanDerWaalsContact O-CA 3.31Å; K53-Y67 WeakPolarHBondContact O-CA 3.35Å; P65-Y67 VanDerWaalsContact O-CD1 3.27Å; P65-Y67 WeakPolarHBondContact O-CD1 3.39Å; Y67-L84 HydrophobicContact CD2-CD2 4.26Å; Y67-L84 HydrophobicContact CE2-CD2 4.41Å; Y67-L87 HydrophobicContact CD2-CB 4.08Å; Y67-L87 HydrophobicContact CD2-CD1 4Å; Y67-L87 HydrophobicContact CE2-CB 3.88Å; Y67-A88 WeakPolarHBondContact OH-CA 3.4Å; Y67-A88 WeakPolarHBondContact OH-CB 3.4Å; Y67-A91 HydrophobicContact CE1-CB 4.24Å
68E95.6Very high94Very high104 Ų10479.4 Ų79.449%0.48640%0.395SS..EExtended strand (participates in β ladder)trans-142.2144.9179.5-63.9174.6172.900108.7K53 F70K53-E68 PolarHBondContact N-O 2.89Å; K53-E68 IonicContact NZ-OE2 3.94Å; K53-E68 PolarHBondContact NZ-OE2 3.15Å; K53-E68 PolarHBondContact O-N 2.85Å; E68-F70 PolarHBondContact O-N 3.47Å
69I95.7Very high94.1Very high36 Ų3671.6 Ų71.619%0.18536%0.359CS..EExtended strand (participates in β ladder)trans-83.7111.8170.3-66.8169.3000107.4L52 Q72 V80 I83 L84L52-I69 HydrophobicContact CD2-CG1 3.92Å; I69-Q72 HydrophobicContact CG2-CB 4.25Å; I69-V80 HydrophobicContact CD1-CB 4.48Å; I69-V80 HydrophobicContact CD1-CG1 3.58Å; I69-I83 HydrophobicContact CD1-CG2 4.15Å; I69-L84 HydrophobicContact CD1-CD1 4.5Å; I69-L84 HydrophobicContact CD1-CD2 4.04Å; I69-L84 HydrophobicContact CD1-CG 3.93Å; I69-L84 HydrophobicContact CG1-CD2 4.24Å
70F93.7Very high94.1Very high141 Ų14166.9 Ų66.962%0.61834%0.34SS*.EExtended strand (participates in β ladder)trans-80.9-39.7-177.6-174.4-97.6000112.1T51 K53 E68T51-F70 HydrophobicContact CG2-CB 4.26Å; T51-F70 HydrophobicContact CG2-CD1 4.45Å; T51-F70 PolarHBondContact O-N 3.1Å; K53-F70 HydrophobicContact CB-CB 4.26Å; K53-F70 HydrophobicContact CD-CD2 4.46Å; E68-F70 PolarHBondContact O-N 3.47Å
71S95.1Very high94.2Very high54 Ų5469.2 Ų69.238%0.37836%0.357SS..EExtended strand (participates in β ladder)trans-150.7152.317458.20000110.4T50 T51T50-S71 WeakPolarHBondContact CA-O 3.31Å; T50-S71 PolarHBondContact OG1-O 2.87Å; T51-S71 WeakPolarHBondContact CB-OG 3.36Å; T51-S71 PolarHBondContact N-O 3.33Å; T51-S71 PolarHBondContact OG1-OG 3Å
72Q94.2Very high94.2Very high75 Ų7571.8 Ų71.835%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-139.9143.7177.271-161.630.500109.3Q49 I69 L75 V80Q49-Q72 WeakPolarHBondContact O-CA 3.38Å; I69-Q72 HydrophobicContact CG2-CB 4.25Å; Q72-L75 HydrophobicContact CB-CB 4.34Å; Q72-L75 HydrophobicContact CB-CD1 4.16Å; Q72-V80 HydrophobicContact CG-CG2 4.48Å
73E93.4Very high94.4Very high110 Ų11068.2 Ų68.251%0.51435%0.351SS..EExtended strand (participates in β ladder)trans-134.1132.6178.4-170.7171.3-169.300109.1Q49 L75Q49-E73 HydrophobicContact CB-CB 4.27Å; Q49-E73 PolarHBondContact N-O 2.9Å; Q49-E73 VanDerWaalsContact N-O 3.07Å; Q49-E73 PolarHBondContact O-N 3.01Å; E73-L75 PolarHBondContact O-N 3.27Å
74N90.4Very high94.5Very high103 Ų10366.6 Ų66.655%0.55135%0.346SS*.SBendtrans57.229.7-176-56.4-39.4000114.7T47 V48T47-N74 PolarHBondContact O-ND2 3.01Å; V48-N74 HydrophobicContact CG1-CB 3.95Å; V48-N74 VanDerWaalsContact CG1-O 3.28Å; V48-N74 WeakPolarHBondContact CG1-O 3.31Å
75L92.4Very high94.6Very high18 Ų1870.5 Ų70.59%0.09436%0.356CS..  trans-119.3137.1175.7-68.6170.7000110.8V48 Q72 E73 D79 V80 I83 L111 I114V48-L75 HydrophobicContact CB-CD2 3.93Å; V48-L75 HydrophobicContact CB-CG 4.23Å; V48-L75 HydrophobicContact CG1-CD2 4.24Å; V48-L75 HydrophobicContact CG2-CD2 4.27Å; Q72-L75 HydrophobicContact CB-CB 4.34Å; Q72-L75 HydrophobicContact CB-CD1 4.16Å; E73-L75 PolarHBondContact O-N 3.27Å; L75-D79 HydrophobicContact CD2-CB 4.04Å; L75-V80 HydrophobicContact CB-CG2 4.13Å; L75-I83 HydrophobicContact CD1-CD1 4.09Å; L75-L111 HydrophobicContact CD1-CD2 3.78Å; L75-L111 HydrophobicContact CD2-CD2 3.96Å; L75-L111 HydrophobicContact CG-CD2 4.43Å; L75-I114 HydrophobicContact CD2-CD1 4.05Å; L75-I114 HydrophobicContact CD2-CG2 3.84Å
76E91.9Very high94.7Very high94 Ų9472.5 Ų72.544%0.43937%0.366SS..  trans-85160173.3-60.4179.1-157.400111.1N78 D79 V80 R121E76-N78 PolarHBondContact O-N 2.97Å; E76-N78 VanDerWaalsContact O-N 3.1Å; E76-D79 WeakPolarHBondContact CB-OD2 3.5Å; E76-D79 PolarHBondContact N-OD2 3.4Å; E76-D79 WeakPolarHBondContact O-CB 3.49Å; E76-D79 PolarHBondContact O-N 2.91Å; E76-V80 WeakPolarHBondContact O-CG2 3.29Å; E76-V80 PolarHBondContact O-N 2.86Å; E76-V80 VanDerWaalsContact O-N 3.12Å; E76-R121 IonicContact OE1-CZ 2.74Å; E76-R121 VanDerWaalsContact OE1-CZ 3.25Å; E76-R121 IonicContact OE1-NH1 2.73Å; E76-R121 PolarHBondContact OE1-NH1 3.49Å; E76-R121 IonicContact OE1-NH2 3.75Å; E76-R121 PolarHBondContact OE1-NH2 2.97Å; E76-R121 IonicContact OE2-NH1 2.58Å
77D93.2Very high94.7Very high134 Ų13467 Ų6772%0.71734%0.338SS*.Hα-helixtrans-58.7-27.4179.3-70.9-18.1000113S81D77-S81 PolarHBondContact O-N 3.42Å; D77-S81 VanDerWaalsContact O-N 3.11Å
78N93Very high94.7Very high106 Ų10666 Ų6657%0.56734%0.342SS*.Hα-helixtrans-68.5-47.3175.7-164.9-90.8000111.3E76 V80 S81 D82E76-N78 PolarHBondContact O-N 2.97Å; E76-N78 VanDerWaalsContact O-N 3.1Å; N78-V80 VanDerWaalsContact C-N 3.27Å; N78-V80 PolarHBondContact O-N 3.37Å; N78-S81 WeakPolarHBondContact O-CB 3.15Å; N78-S81 PolarHBondContact O-N 3.28Å; N78-S81 VanDerWaalsContact O-N 3.12Å; N78-D82 PolarHBondContact O-N 3.44Å
79D93.4Very high94.8Very high20 Ų2065.4 Ų65.411%0.10734%0.342CS..Hα-helixtrans-58.8-43.1178.3-54-38.6000110.9L75 E76 S81 D82 I83 I114L75-D79 HydrophobicContact CD2-CB 4.04Å; E76-D79 WeakPolarHBondContact CB-OD2 3.5Å; E76-D79 PolarHBondContact N-OD2 3.4Å; E76-D79 WeakPolarHBondContact O-CB 3.49Å; E76-D79 PolarHBondContact O-N 2.91Å; D79-S81 VanDerWaalsContact C-N 3.34Å; D79-S81 PolarHBondContact O-N 3.1Å; D79-D82 PolarHBondContact O-N 3.36Å; D79-D82 VanDerWaalsContact O-N 3.15Å; D79-I83 VanDerWaalsContact O-CG1 3.31Å; D79-I83 WeakPolarHBondContact O-CG1 3.27Å; D79-I83 PolarHBondContact O-N 3.47Å; D79-I114 HydrophobicContact CB-CD1 3.94Å; D79-I114 HydrophobicContact CB-CG1 4.5Å
80V94.8Very high94.8Very high18 Ų1865.5 Ų65.511%0.10934%0.341CS..Hα-helixtrans-62.6-42.4178.3175.50000110.8I69 Q72 L75 E76 N78 D82 I83 L84I69-V80 HydrophobicContact CD1-CB 4.48Å; I69-V80 HydrophobicContact CD1-CG1 3.58Å; Q72-V80 HydrophobicContact CG-CG2 4.48Å; L75-V80 HydrophobicContact CB-CG2 4.13Å; E76-V80 WeakPolarHBondContact O-CG2 3.29Å; E76-V80 PolarHBondContact O-N 2.86Å; E76-V80 VanDerWaalsContact O-N 3.12Å; N78-V80 VanDerWaalsContact C-N 3.27Å; N78-V80 PolarHBondContact O-N 3.37Å; V80-D82 VanDerWaalsContact C-N 3.3Å; V80-D82 PolarHBondContact O-N 3.12Å; V80-I83 PolarHBondContact O-N 3.35Å; V80-L84 WeakPolarHBondContact O-CG 3.46Å; V80-L84 PolarHBondContact O-N 3.1Å
81S96.1Very high94.9Very high50 Ų5058.9 Ų58.935%0.3531%0.313SS..Hα-helixtrans-62.1-40.2174.8-171.90000111.7D77 N78 D79 L84 K85D77-S81 PolarHBondContact O-N 3.42Å; D77-S81 VanDerWaalsContact O-N 3.11Å; N78-S81 WeakPolarHBondContact O-CB 3.15Å; N78-S81 PolarHBondContact O-N 3.28Å; N78-S81 VanDerWaalsContact O-N 3.12Å; D79-S81 VanDerWaalsContact C-N 3.34Å; D79-S81 PolarHBondContact O-N 3.1Å; S81-L84 PolarHBondContact O-N 3.12Å; S81-K85 WeakPolarHBondContact O-CG 3.17Å; S81-K85 PolarHBondContact O-N 3.28Å; S81-K85 WeakPolarHBondContact OG-CE 3.45Å
82D95.6Very high95Very high54 Ų5463.1 Ų63.129%0.28933%0.327SS..Hα-helixtrans-72.5-37-179.9-75.2-5.9000112.4N78 D79 V80 L84 K85 L86N78-D82 PolarHBondContact O-N 3.44Å; D79-D82 PolarHBondContact O-N 3.36Å; D79-D82 VanDerWaalsContact O-N 3.15Å; V80-D82 VanDerWaalsContact C-N 3.3Å; V80-D82 PolarHBondContact O-N 3.12Å; D82-L84 VanDerWaalsContact C-N 3.34Å; D82-L84 PolarHBondContact O-N 2.9Å; D82-K85 PolarHBondContact O-N 3.45Å; D82-K85 IonicContact OD1-NZ 2.82Å; D82-K85 PolarHBondContact OD1-NZ 2.82Å; D82-L86 WeakPolarHBondContact O-CB 3.36Å; D82-L86 PolarHBondContact O-N 3.11Å
83I96.7Very high95Very high0 Ų065.8 Ų65.80%034%0.339CS..Hα-helixtrans-59.2-45.1169.8-70166.6000110.5I69 L75 D79 V80 K85 L86 L87 V107 K110 L111 I114I69-I83 HydrophobicContact CD1-CG2 4.15Å; L75-I83 HydrophobicContact CD1-CD1 4.09Å; D79-I83 VanDerWaalsContact O-CG1 3.31Å; D79-I83 WeakPolarHBondContact O-CG1 3.27Å; D79-I83 PolarHBondContact O-N 3.47Å; V80-I83 PolarHBondContact O-N 3.35Å; I83-K85 PolarHBondContact O-N 3.21Å; I83-L86 WeakPolarHBondContact O-CB 3.04Å; I83-L86 PolarHBondContact O-N 2.83Å; I83-L87 HydrophobicContact CG2-CD1 4.14Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 2.84Å; I83-V107 HydrophobicContact CG2-CG1 4.11Å; I83-V107 HydrophobicContact CG2-CG2 3.95Å; I83-K110 HydrophobicContact CG1-CG 4.09Å; I83-L111 HydrophobicContact CD1-CD2 3.88Å; I83-I114 HydrophobicContact CD1-CD1 4.04Å; I83-I114 HydrophobicContact CG1-CD1 4.27Å
84L96.6Very high95.1Very high65 Ų6562 Ų6234%0.3432%0.322SS..Hα-helixtrans-64.8-38.6177.8-72.9172.7000112.6Y67 I69 V80 S81 D82 L87 A88Y67-L84 HydrophobicContact CD2-CD2 4.26Å; Y67-L84 HydrophobicContact CE2-CD2 4.41Å; I69-L84 HydrophobicContact CD1-CD1 4.5Å; I69-L84 HydrophobicContact CD1-CD2 4.04Å; I69-L84 HydrophobicContact CD1-CG 3.93Å; I69-L84 HydrophobicContact CG1-CD2 4.24Å; V80-L84 WeakPolarHBondContact O-CG 3.46Å; V80-L84 PolarHBondContact O-N 3.1Å; S81-L84 PolarHBondContact O-N 3.12Å; D82-L84 VanDerWaalsContact C-N 3.34Å; D82-L84 PolarHBondContact O-N 2.9Å; L84-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 PolarHBondContact O-N 2.86Å; L84-A88 PolarHBondContact O-N 2.88Å
85K96.9Very high95.3Very high118 Ų11861.1 Ų61.151%0.51332%0.317SS..Hα-helixtrans-64.9-41.1174-70.2169.8-155.81520111.5S81 D82 I83 A88 L89S81-K85 WeakPolarHBondContact O-CG 3.17Å; S81-K85 PolarHBondContact O-N 3.28Å; S81-K85 WeakPolarHBondContact OG-CE 3.45Å; D82-K85 PolarHBondContact O-N 3.45Å; D82-K85 IonicContact OD1-NZ 2.82Å; D82-K85 PolarHBondContact OD1-NZ 2.82Å; I83-K85 PolarHBondContact O-N 3.21Å; K85-A88 PolarHBondContact O-N 3.44Å; K85-L89 PolarHBondContact O-N 3.13Å
86L96.9Very high95.3Very high44 Ų4462.3 Ų62.323%0.2333%0.334CS..Hα-helixtrans-61.6-47.1176.2177.265.1000111D82 I83 A88 L89 Q90 A106 K110D82-L86 WeakPolarHBondContact O-CB 3.36Å; D82-L86 PolarHBondContact O-N 3.11Å; I83-L86 WeakPolarHBondContact O-CB 3.04Å; I83-L86 PolarHBondContact O-N 2.83Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.42Å; L86-L89 PolarHBondContact O-N 2.9Å; L86-Q90 HydrophobicContact CD1-CG 4.09Å; L86-Q90 HydrophobicContact CG-CG 4.44Å; L86-Q90 WeakPolarHBondContact O-CB 3.48Å; L86-Q90 WeakPolarHBondContact O-CG 3.45Å; L86-Q90 PolarHBondContact O-N 3.44Å; L86-A106 HydrophobicContact CD2-CB 4.31Å; L86-A106 WeakPolarHBondContact CD2-O 3.48Å; L86-K110 HydrophobicContact CD2-CB 3.61Å; L86-K110 HydrophobicContact CD2-CD 4.42Å; L86-K110 HydrophobicContact CD2-CG 3.99Å
87L97Very high95.4Very high2 Ų262.6 Ų62.61%0.0134%0.336CS..Hα-helixtrans-58.8-42.5175.8-76.2170.6000111.8L52 Y67 I83 L84 Q90 A91 L103 V107L52-L87 HydrophobicContact CD2-CD1 4.16Å; Y67-L87 HydrophobicContact CD2-CB 4.08Å; Y67-L87 HydrophobicContact CD2-CD1 4Å; Y67-L87 HydrophobicContact CE2-CB 3.88Å; I83-L87 HydrophobicContact CG2-CD1 4.14Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 2.84Å; L84-L87 HydrophobicContact CD2-CD1 4.46Å; L84-L87 PolarHBondContact O-N 2.86Å; L87-Q90 PolarHBondContact O-N 2.92Å; L87-A91 WeakPolarHBondContact O-CB 3.46Å; L87-A91 PolarHBondContact O-N 3.14Å; L87-L103 HydrophobicContact CD2-CB 3.76Å; L87-L103 HydrophobicContact CD2-CD2 3.81Å; L87-L103 HydrophobicContact CD2-CG 4.23Å; L87-V107 HydrophobicContact CD1-CG2 4.19Å; L87-V107 HydrophobicContact CD2-CG2 3.56Å; L87-V107 HydrophobicContact CG-CG2 3.81Å
88A96.3Very high95.5Very high41 Ų4158.7 Ų58.734%0.33932%0.317SS..Hα-helixtrans-61.9-45.5177.400000112.5Y67 L84 K85 L86 E92Y67-A88 WeakPolarHBondContact OH-CA 3.4Å; Y67-A88 WeakPolarHBondContact OH-CB 3.4Å; L84-A88 PolarHBondContact O-N 2.88Å; K85-A88 PolarHBondContact O-N 3.44Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.42Å; A88-E92 PolarHBondContact O-N 2.92Å; A88-E92 VanDerWaalsContact O-N 3.16Å
89L97.1Very high95.6Very high90 Ų9053.7 Ų53.747%0.47129%0.29SS..Hα-helixtrans-62.7-50.2177.1-174.376.1000111.2K85 L86 A91 E92 E93K85-L89 PolarHBondContact O-N 3.13Å; L86-L89 PolarHBondContact O-N 2.9Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 3.41Å; L89-E92 PolarHBondContact O-N 2.94Å; L89-E93 WeakPolarHBondContact O-CG 3.43Å; L89-E93 PolarHBondContact O-N 3.04Å; L89-E93 VanDerWaalsContact O-N 3.07Å
90Q96.7Very high95.8Very high38 Ų3852.7 Ų52.718%0.17829%0.285CS..Hα-helixtrans-64.9-36.4-178.8-72.5-59.4-6500112.2L86 L87 E93 N94 L103 A106L86-Q90 HydrophobicContact CD1-CG 4.09Å; L86-Q90 HydrophobicContact CG-CG 4.44Å; L86-Q90 WeakPolarHBondContact O-CB 3.48Å; L86-Q90 WeakPolarHBondContact O-CG 3.45Å; L86-Q90 PolarHBondContact O-N 3.44Å; L87-Q90 PolarHBondContact O-N 2.92Å; Q90-E93 PolarHBondContact NE2-OE2 3.24Å; Q90-E93 PolarHBondContact O-N 2.86Å; Q90-N94 WeakPolarHBondContact O-CB 3.41Å; Q90-N94 PolarHBondContact O-N 3.04Å; Q90-N94 VanDerWaalsContact O-N 3.16Å; Q90-N94 PolarHBondContact O-ND2 3.45Å; Q90-L103 HydrophobicContact CB-CD2 3.63Å; Q90-A106 HydrophobicContact CG-CB 3.96Å
91A96Very high95.9Very high3 Ų356.5 Ų56.53%0.02530%0.3CS..Hα-helixtrans-66.3-38.1176.500000112.2A64 Y67 L87 L89 L95 M99 L103A64-A91 HydrophobicContact CB-CB 4.12Å; Y67-A91 HydrophobicContact CE1-CB 4.24Å; L87-A91 WeakPolarHBondContact O-CB 3.46Å; L87-A91 PolarHBondContact O-N 3.14Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-A91 PolarHBondContact O-N 3.41Å; A91-L95 WeakPolarHBondContact O-CG 3.39Å; A91-L95 PolarHBondContact O-N 3.34Å; A91-M99 HydrophobicContact CB-SD 4.04Å; A91-L103 HydrophobicContact CB-CD2 4.22Å
92E95.9Very high95.9Very high143 Ų14356.1 Ų56.167%0.66830%0.296SS*.Hα-helixtrans-69.1-40.4177.5-172.5172.2-168.400112A88 L89 N94A88-E92 PolarHBondContact O-N 2.92Å; A88-E92 VanDerWaalsContact O-N 3.16Å; L89-E92 PolarHBondContact O-N 2.94Å; E92-N94 VanDerWaalsContact C-N 3.32Å; E92-N94 PolarHBondContact O-N 3.14Å
93E95.5Very high96Very high131 Ų13153.5 Ų53.561%0.61228%0.282SS*.Hα-helixtrans-68.6-28.3178.7-71.7-173.9150.900113.5L89 Q90L89-E93 WeakPolarHBondContact O-CG 3.43Å; L89-E93 PolarHBondContact O-N 3.04Å; L89-E93 VanDerWaalsContact O-N 3.07Å; Q90-E93 PolarHBondContact NE2-OE2 3.24Å; Q90-E93 PolarHBondContact O-N 2.86Å
94N94.9Very high96Very high29 Ų2953.5 Ų53.516%0.15528%0.282CS..THydrogen-bonded Turntrans-102.514.9-175.2-69-86.7000113.8Q90 E92 M97 M99Q90-N94 WeakPolarHBondContact O-CB 3.41Å; Q90-N94 PolarHBondContact O-N 3.04Å; Q90-N94 VanDerWaalsContact O-N 3.16Å; Q90-N94 PolarHBondContact O-ND2 3.45Å; E92-N94 VanDerWaalsContact C-N 3.32Å; E92-N94 PolarHBondContact O-N 3.14Å; N94-M97 WeakPolarHBondContact O-CG 3.21Å; N94-M97 PolarHBondContact O-N 3.06Å; N94-M99 HydrophobicContact CB-CB 3.74Å; N94-M99 HydrophobicContact CB-SD 4.47Å; N94-M99 WeakPolarHBondContact O-CE 3.44Å
95L95.3Very high96Very high85 Ų8552.4 Ų52.445%0.44528%0.278SS..THydrogen-bonded Turntrans-58.1139.8175.6-72.5174.1000112.4A64 A91 M99A64-L95 HydrophobicContact CB-CD2 4.22Å; A91-L95 WeakPolarHBondContact O-CG 3.39Å; A91-L95 PolarHBondContact O-N 3.34Å; L95-M99 HydrophobicContact CD2-CE 4.28Å
96G92.3Very high96Very high43 Ų4347.4 Ų47.444%0.44326%0.259SS..THydrogen-bonded Turntrans88.83.6-179.800000114.5P61P61-G96 PolarHBondContact O-N 2.89Å
97M93.2Very high96Very high100 Ų10045.3 Ų45.349%0.49325%0.248SC..SBendtrans-143.3156.3168.761.2-180-71.500111.5P61 N94 M99P61-M97 VanDerWaalsContact CB-O 3.23Å; P61-M97 WeakPolarHBondContact CB-O 3.3Å; N94-M97 WeakPolarHBondContact O-CG 3.21Å; N94-M97 PolarHBondContact O-N 3.06Å; M97-M99 PolarHBondContact O-N 2.84Å
98V94.8Very high95.9Very high53 Ų5348.7 Ų48.732%0.32126%0.264SS..  trans-56.9128.4174-67.50000110.1E7 E11 Y60 P61E7-V98 HydrophobicContact CB-CG1 4.32Å; E11-V98 HydrophobicContact CB-CB 4.35Å; E11-V98 HydrophobicContact CB-CG1 4.08Å; E11-V98 HydrophobicContact CG-CB 4.23Å; E11-V98 HydrophobicContact CG-CG1 4.46Å; E11-V98 WeakPolarHBondContact OE1-CB 3.35Å; Y60-V98 HydrophobicContact CE1-CG1 4.28Å; Y60-V98 WeakPolarHBondContact OH-CA 3.42Å; P61-V98 HydrophobicContact CG-CG1 4.47Å
99M95.8Very high95.9Very high0 Ų053.2 Ų53.20%028%0.278CS..  trans-131.6-2.7-165.870.5-173.97800113.9E11 Y60 P65 A91 N94 L95 M97 F101 T102 L103E11-M99 PolarHBondContact OE1-N 2.86Å; Y60-M99 HydrophobicContact CE2-CE 3.97Å; Y60-M99 HydrophobicContact CE2-CG 3.91Å; Y60-M99 HydrophobicContact CE2-SD 4.36Å; Y60-M99 PolarHBondContact OH-N 2.9Å; P65-M99 HydrophobicContact CG-SD 4.46Å; A91-M99 HydrophobicContact CB-SD 4.04Å; N94-M99 HydrophobicContact CB-CB 3.74Å; N94-M99 HydrophobicContact CB-SD 4.47Å; N94-M99 WeakPolarHBondContact O-CE 3.44Å; L95-M99 HydrophobicContact CD2-CE 4.28Å; M97-M99 PolarHBondContact O-N 2.84Å; M99-F101 VanDerWaalsContact C-N 3.32Å; M99-F101 PolarHBondContact O-N 3.28Å; M99-T102 WeakPolarHBondContact O-CB 3.47Å; M99-T102 PolarHBondContact O-N 2.84Å; M99-T102 VanDerWaalsContact O-N 3.1Å; M99-L103 HydrophobicContact CG-CD1 3.96Å; M99-L103 HydrophobicContact CG-CG 4.28Å; M99-L103 VanDerWaalsContact O-CG 3.3Å; M99-L103 WeakPolarHBondContact O-CG 3.37Å; M99-L103 PolarHBondContact O-N 3.23Å; M99-L103 HydrophobicContact SD-CD1 4.35Å
100I96.8Very high95.9Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-62-43.6-175-58.5-63.9000110.9E11 L15 F33 I35 F54 Y56 P65 T102 L103 V104E11-I100 VanDerWaalsContact OE1-CB 3.26Å; E11-I100 WeakPolarHBondContact OE1-CB 3.4Å; E11-I100 WeakPolarHBondContact OE1-CG1 3.39Å; E11-I100 PolarHBondContact OE1-N 3.19Å; L15-I100 HydrophobicContact CD1-CB 3.83Å; L15-I100 HydrophobicContact CD1-CG1 4.35Å; L15-I100 HydrophobicContact CD1-CG2 3.53Å; L15-I100 HydrophobicContact CD2-CB 4.45Å; L15-I100 HydrophobicContact CD2-CG2 4.08Å; L15-I100 HydrophobicContact CG-CG2 4.46Å; F33-I100 HydrophobicContact CE2-CG2 3.97Å; F33-I100 HydrophobicContact CZ-CD1 4.31Å; F33-I100 HydrophobicContact CZ-CG1 4.13Å; F33-I100 HydrophobicContact CZ-CG2 4.09Å; I35-I100 HydrophobicContact CD1-CG2 3.9Å; F54-I100 HydrophobicContact CB-CD1 4.1Å; F54-I100 HydrophobicContact CD1-CD1 3.72Å; F54-I100 HydrophobicContact CD2-CD1 4.43Å; F54-I100 HydrophobicContact CD2-CG2 4.02Å; F54-I100 HydrophobicContact CE1-CD1 4.22Å; F54-I100 HydrophobicContact CE2-CG2 4.03Å; F54-I100 HydrophobicContact CG-CD1 3.83Å; F54-I100 HydrophobicContact CG-CG2 4.45Å; F54-I100 HydrophobicContact CZ-CG2 4.49Å; Y56-I100 HydrophobicContact CE1-CD1 4.02Å; Y56-I100 HydrophobicContact CE1-CG1 3.83Å; P65-I100 HydrophobicContact CB-CD1 4.14Å; P65-I100 HydrophobicContact CG-CD1 3.82Å; I100-T102 VanDerWaalsContact C-N 3.33Å; I100-T102 PolarHBondContact O-N 2.82Å; I100-L103 PolarHBondContact O-N 3.39Å; I100-V104 HydrophobicContact CG2-CG2 4.3Å; I100-V104 WeakPolarHBondContact O-CB 3.47Å; I100-V104 VanDerWaalsContact O-CG2 3.29Å; I100-V104 WeakPolarHBondContact O-CG2 3.31Å; I100-V104 PolarHBondContact O-N 3.15Å
101F96.6Very high95.8Very high97 Ų9749 Ų4943%0.42526%0.255SS..Hα-helixtrans-58.3-46.4174.9179.8-99.3000111.4L15 I18 Y19 M99 L103 V104 T105L15-F101 HydrophobicContact CD2-CB 4.38Å; I18-F101 HydrophobicContact CD1-CD2 4.02Å; I18-F101 HydrophobicContact CD1-CE2 4.3Å; I18-F101 HydrophobicContact CG2-CE2 4.21Å; Y19-F101 HydrophobicContact CE2-CD2 4.25Å; Y19-F101 WeakPolarHBondContact OH-CD2 3.2Å; Y19-F101 WeakPolarHBondContact OH-CE2 3.49Å; M99-F101 VanDerWaalsContact C-N 3.32Å; M99-F101 PolarHBondContact O-N 3.28Å; F101-L103 VanDerWaalsContact C-N 3.35Å; F101-L103 PolarHBondContact O-N 3.44Å; F101-V104 PolarHBondContact O-N 2.9Å; F101-T105 PolarHBondContact O-N 2.73Å; F101-T105 PolarHBondContact O-OG1 3.28Å
102T96.5Very high95.7Very high42 Ų4250.7 Ų50.726%0.25826%0.264SS..Hα-helixtrans-59.3-44.6177.5-50.70000111.8M99 I100 T105 A106M99-T102 WeakPolarHBondContact O-CB 3.47Å; M99-T102 PolarHBondContact O-N 2.84Å; M99-T102 VanDerWaalsContact O-N 3.1Å; I100-T102 VanDerWaalsContact C-N 3.33Å; I100-T102 PolarHBondContact O-N 2.82Å; T102-T105 PolarHBondContact O-N 2.91Å; T102-A106 WeakPolarHBondContact O-CB 3.36Å; T102-A106 PolarHBondContact O-N 2.88Å
103L97.3Very high95.6Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-62.1-46177-67.5175.8000111.2F54 P65 L87 Q90 A91 M99 I100 F101 A106 V107F54-L103 HydrophobicContact CE1-CB 4.46Å; F54-L103 HydrophobicContact CE1-CD1 3.92Å; F54-L103 HydrophobicContact CZ-CB 4.33Å; P65-L103 HydrophobicContact CG-CD1 4.16Å; L87-L103 HydrophobicContact CD2-CB 3.76Å; L87-L103 HydrophobicContact CD2-CD2 3.81Å; L87-L103 HydrophobicContact CD2-CG 4.23Å; Q90-L103 HydrophobicContact CB-CD2 3.63Å; A91-L103 HydrophobicContact CB-CD2 4.22Å; M99-L103 HydrophobicContact CG-CD1 3.96Å; M99-L103 HydrophobicContact CG-CG 4.28Å; M99-L103 VanDerWaalsContact O-CG 3.3Å; M99-L103 WeakPolarHBondContact O-CG 3.37Å; M99-L103 PolarHBondContact O-N 3.23Å; M99-L103 HydrophobicContact SD-CD1 4.35Å; I100-L103 PolarHBondContact O-N 3.39Å; F101-L103 VanDerWaalsContact C-N 3.35Å; F101-L103 PolarHBondContact O-N 3.44Å; L103-A106 PolarHBondContact O-N 2.93Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 3.18Å
104V96.8Very high95.5Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-62.4-44.5177.7170.70000111.1Y19 I35 V37 F54 I100 F101 V107 Q108Y19-V104 HydrophobicContact CE1-CG1 4.29Å; Y19-V104 HydrophobicContact CE2-CG1 4.27Å; Y19-V104 WeakPolarHBondContact OH-CG1 3.4Å; I35-V104 HydrophobicContact CB-CG2 4.33Å; I35-V104 HydrophobicContact CD1-CG2 3.81Å; I35-V104 HydrophobicContact CG2-CG1 4.17Å; I35-V104 HydrophobicContact CG2-CG2 4.06Å; V37-V104 HydrophobicContact CG2-CG1 3.83Å; F54-V104 HydrophobicContact CE2-CG2 3.98Å; F54-V104 HydrophobicContact CZ-CG2 4.31Å; I100-V104 HydrophobicContact CG2-CG2 4.3Å; I100-V104 WeakPolarHBondContact O-CB 3.47Å; I100-V104 VanDerWaalsContact O-CG2 3.29Å; I100-V104 WeakPolarHBondContact O-CG2 3.31Å; I100-V104 PolarHBondContact O-N 3.15Å; F101-V104 PolarHBondContact O-N 2.9Å; V104-V107 PolarHBondContact O-N 2.95Å; V104-Q108 WeakPolarHBondContact O-CB 3.49Å; V104-Q108 PolarHBondContact O-N 3.25Å
105T96.5Very high95.4Very high42 Ų4241.2 Ų41.226%0.25822%0.219SC..Hα-helixtrans-62-45.2176.4-57.90000111.6F101 T102 V107 Q108 E109F101-T105 PolarHBondContact O-N 2.73Å; F101-T105 PolarHBondContact O-OG1 3.28Å; T102-T105 PolarHBondContact O-N 2.91Å; T105-V107 VanDerWaalsContact C-N 3.32Å; T105-V107 PolarHBondContact O-N 2.97Å; T105-Q108 WeakPolarHBondContact O-CB 3.25Å; T105-Q108 PolarHBondContact O-N 3.1Å; T105-Q108 VanDerWaalsContact O-N 3.14Å; T105-E109 PolarHBondContact O-N 3.48Å
106A96.9Very high95.1Very high13 Ų1341.8 Ų41.811%0.10722%0.223CC..Hα-helixtrans-61.6-40.6177.600000111.9L86 Q90 T102 L103 K110L86-A106 HydrophobicContact CD2-CB 4.31Å; L86-A106 WeakPolarHBondContact CD2-O 3.48Å; Q90-A106 HydrophobicContact CG-CB 3.96Å; T102-A106 WeakPolarHBondContact O-CB 3.36Å; T102-A106 PolarHBondContact O-N 2.88Å; L103-A106 PolarHBondContact O-N 2.93Å; A106-K110 WeakPolarHBondContact O-CB 3.48Å; A106-K110 PolarHBondContact O-N 3.34Å
107V97.2Very high95Very high0 Ų044.2 Ų44.20%022%0.222CC..Hα-helixtrans-66.3-41174.1174.70000111.1T50 L52 I83 L87 L103 V104 T105 E109 K110 L111T50-V107 HydrophobicContact CG2-CG1 3.74Å; L52-V107 HydrophobicContact CD1-CB 4.11Å; L52-V107 HydrophobicContact CD1-CG1 4.12Å; L52-V107 HydrophobicContact CD1-CG2 3.91Å; I83-V107 HydrophobicContact CG2-CG1 4.11Å; I83-V107 HydrophobicContact CG2-CG2 3.95Å; L87-V107 HydrophobicContact CD1-CG2 4.19Å; L87-V107 HydrophobicContact CD2-CG2 3.56Å; L87-V107 HydrophobicContact CG-CG2 3.81Å; L103-V107 WeakPolarHBondContact O-CG2 3.49Å; L103-V107 PolarHBondContact O-N 3.18Å; V104-V107 PolarHBondContact O-N 2.95Å; T105-V107 VanDerWaalsContact C-N 3.32Å; T105-V107 PolarHBondContact O-N 2.97Å; V107-E109 PolarHBondContact O-N 3.26Å; V107-K110 PolarHBondContact O-N 3.46Å; V107-K110 VanDerWaalsContact O-N 3.14Å; V107-L111 HydrophobicContact CG1-CD1 4.23Å; V107-L111 HydrophobicContact CG1-CG 4.16Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.33Å; V107-L111 PolarHBondContact O-N 3.41Å
108Q96.1Very high94.7Very high72 Ų7240.8 Ų40.834%0.33621%0.206SC..Hα-helixtrans-59.8-45.4177.3-171.1169.719.100112V37 V104 T105 K110 L111 N112V37-Q108 HydrophobicContact CG1-CB 3.66Å; V37-Q108 HydrophobicContact CG1-CG 3.98Å; V104-Q108 WeakPolarHBondContact O-CB 3.49Å; V104-Q108 PolarHBondContact O-N 3.25Å; T105-Q108 WeakPolarHBondContact O-CB 3.25Å; T105-Q108 PolarHBondContact O-N 3.1Å; T105-Q108 VanDerWaalsContact O-N 3.14Å; Q108-K110 VanDerWaalsContact C-N 3.31Å; Q108-K110 PolarHBondContact O-N 2.77Å; Q108-L111 PolarHBondContact O-N 3.01Å; Q108-N112 PolarHBondContact O-N 3.5Å
109E96.3Very high94.3Very high136 Ų13641.3 Ų41.364%0.63620%0.204SC*.Hα-helixtrans-61.3-41.1174.1-70-173.5143.300111.5T105 V107 N112 E113T105-E109 PolarHBondContact O-N 3.48Å; V107-E109 PolarHBondContact O-N 3.26Å; E109-N112 WeakPolarHBondContact O-CB 3.4Å; E109-N112 PolarHBondContact O-N 3.07Å; E109-E113 PolarHBondContact O-N 2.87Å
110K95.9Very high93.9Very high41 Ų4144.6 Ų44.618%0.17822%0.224CC..Hα-helixtrans-66.1-39178.2-171.962.9-169.5170.90112.7I83 L86 A106 V107 Q108 N112 E113 I114I83-K110 HydrophobicContact CG1-CG 4.09Å; L86-K110 HydrophobicContact CD2-CB 3.61Å; L86-K110 HydrophobicContact CD2-CD 4.42Å; L86-K110 HydrophobicContact CD2-CG 3.99Å; A106-K110 WeakPolarHBondContact O-CB 3.48Å; A106-K110 PolarHBondContact O-N 3.34Å; V107-K110 PolarHBondContact O-N 3.46Å; V107-K110 VanDerWaalsContact O-N 3.14Å; Q108-K110 VanDerWaalsContact C-N 3.31Å; Q108-K110 PolarHBondContact O-N 2.77Å; K110-N112 VanDerWaalsContact C-N 3.31Å; K110-N112 PolarHBondContact O-N 2.78Å; K110-E113 WeakPolarHBondContact CD-OE2 3.49Å; K110-E113 IonicContact NZ-OE1 3.57Å; K110-E113 IonicContact NZ-OE2 3.99Å; K110-E113 PolarHBondContact NZ-OE2 3.38Å; K110-E113 WeakPolarHBondContact O-CB 3.28Å; K110-E113 PolarHBondContact O-N 3.07Å; K110-I114 HydrophobicContact CG-CD1 4.01Å; K110-I114 WeakPolarHBondContact O-CD1 3.26Å; K110-I114 VanDerWaalsContact O-CG1 3.25Å; K110-I114 WeakPolarHBondContact O-CG1 3.31Å; K110-I114 PolarHBondContact O-N 2.96Å
111L96.1Very high93.4Very high0 Ų049.1 Ų49.10%024%0.241CC..Hα-helixtrans-62-39.8174.1-71.8-179.3000111.6V37 V48 T50 L75 I83 V107 Q108 I114 V115V37-L111 HydrophobicContact CB-CD1 3.99Å; V37-L111 HydrophobicContact CG1-CD1 3.82Å; V37-L111 WeakPolarHBondContact O-CD1 3.39Å; V48-L111 HydrophobicContact CG2-CB 3.82Å; V48-L111 HydrophobicContact CG2-CD2 3.81Å; V48-L111 HydrophobicContact CG2-CG 4.32Å; V48-L111 WeakPolarHBondContact CG2-O 3.26Å; T50-L111 HydrophobicContact CG2-CD1 4.01Å; T50-L111 HydrophobicContact CG2-CD2 4.38Å; L75-L111 HydrophobicContact CD1-CD2 3.78Å; L75-L111 HydrophobicContact CD2-CD2 3.96Å; L75-L111 HydrophobicContact CG-CD2 4.43Å; I83-L111 HydrophobicContact CD1-CD2 3.88Å; V107-L111 HydrophobicContact CG1-CD1 4.23Å; V107-L111 HydrophobicContact CG1-CG 4.16Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.33Å; V107-L111 PolarHBondContact O-N 3.41Å; Q108-L111 PolarHBondContact O-N 3.01Å; L111-I114 PolarHBondContact O-N 3.36Å; L111-V115 PolarHBondContact O-N 3Å
112N93.9Very high92.9Very high38 Ų3850.1 Ų50.120%0.20324%0.242CC..Hα-helixtrans-63.6-40.5174.3-69.2-12.1000111.7S39 E40 Q108 E109 K110 I114 V115 D116S39-N112 VanDerWaalsContact CA-OD1 3.24Å; S39-N112 WeakPolarHBondContact CA-OD1 3.18Å; S39-N112 WeakPolarHBondContact CB-OD1 3.45Å; E40-N112 PolarHBondContact N-OD1 2.98Å; Q108-N112 PolarHBondContact O-N 3.5Å; E109-N112 WeakPolarHBondContact O-CB 3.4Å; E109-N112 PolarHBondContact O-N 3.07Å; K110-N112 VanDerWaalsContact C-N 3.31Å; K110-N112 PolarHBondContact O-N 2.78Å; N112-I114 VanDerWaalsContact C-N 3.34Å; N112-I114 PolarHBondContact O-N 3.43Å; N112-V115 WeakPolarHBondContact O-CG1 3.24Å; N112-D116 PolarHBondContact O-N 3.28Å
113E94Very high92.5Very high90 Ų9053 Ų5342%0.42125%0.253SS..Hα-helixtrans-64-40.2174.1-164.3-166.5170.200111.9E109 K110 D116 Q117E109-E113 PolarHBondContact O-N 2.87Å; K110-E113 WeakPolarHBondContact CD-OE2 3.49Å; K110-E113 IonicContact NZ-OE1 3.57Å; K110-E113 IonicContact NZ-OE2 3.99Å; K110-E113 PolarHBondContact NZ-OE2 3.38Å; K110-E113 WeakPolarHBondContact O-CB 3.28Å; K110-E113 PolarHBondContact O-N 3.07Å; E113-D116 PolarHBondContact O-N 2.89Å; E113-Q117 VanDerWaalsContact O-CG 3.31Å; E113-Q117 WeakPolarHBondContact O-CG 3.15Å; E113-Q117 PolarHBondContact O-N 2.86Å; E113-Q117 PolarHBondContact OE1-NE2 2.95Å; E113-Q117 VanDerWaalsContact OE1-NE2 3.1Å
114I93.2Very high92.2Very high2 Ų259 Ų591%0.0128%0.281CS..Hα-helixtrans-66.1-44.4179.8-68.8158000110.9L75 D79 I83 K110 L111 N112 D116 Q117 I118L75-I114 HydrophobicContact CD2-CD1 4.05Å; L75-I114 HydrophobicContact CD2-CG2 3.84Å; D79-I114 HydrophobicContact CB-CD1 3.94Å; D79-I114 HydrophobicContact CB-CG1 4.5Å; I83-I114 HydrophobicContact CD1-CD1 4.04Å; I83-I114 HydrophobicContact CG1-CD1 4.27Å; K110-I114 HydrophobicContact CG-CD1 4.01Å; K110-I114 WeakPolarHBondContact O-CD1 3.26Å; K110-I114 VanDerWaalsContact O-CG1 3.25Å; K110-I114 WeakPolarHBondContact O-CG1 3.31Å; K110-I114 PolarHBondContact O-N 2.96Å; L111-I114 PolarHBondContact O-N 3.36Å; N112-I114 VanDerWaalsContact C-N 3.34Å; N112-I114 PolarHBondContact O-N 3.43Å; I114-D116 VanDerWaalsContact C-N 3.28Å; I114-D116 PolarHBondContact O-N 3.2Å; I114-Q117 PolarHBondContact O-N 3.03Å; I114-I118 HydrophobicContact CG2-CD1 3.72Å; I114-I118 HydrophobicContact CG2-CG1 4.25Å; I114-I118 VanDerWaalsContact O-CG1 3.26Å; I114-I118 WeakPolarHBondContact O-CG1 3.41Å; I114-I118 PolarHBondContact O-N 3.17Å
115V91.4Very high91.8Very high11 Ų1165 Ų657%0.06731%0.308CS..Hα-helixtrans-62.6-37.8178.168.40000111.6V48 L111 N112 I118 K119V48-V115 HydrophobicContact CG1-CB 4.47Å; V48-V115 HydrophobicContact CG2-CB 4.32Å; L111-V115 PolarHBondContact O-N 3Å; N112-V115 WeakPolarHBondContact O-CG1 3.24Å; V115-I118 PolarHBondContact O-N 3.44Å; V115-K119 PolarHBondContact O-N 2.84Å; V115-K119 VanDerWaalsContact O-N 3.08Å
116D90.2Very high91.6Very high98 Ų9870.1 Ų70.152%0.52433%0.327SS..Hα-helixtrans-64.6-43.4174.2-76.8-18000111.8N112 E113 I114 K119 T120N112-D116 PolarHBondContact O-N 3.28Å; E113-D116 PolarHBondContact O-N 2.89Å; I114-D116 VanDerWaalsContact C-N 3.28Å; I114-D116 PolarHBondContact O-N 3.2Å; D116-K119 WeakPolarHBondContact O-CB 3.38Å; D116-K119 PolarHBondContact O-N 3.39Å; D116-T120 PolarHBondContact O-N 3.2Å; D116-T120 PolarHBondContact O-OG1 3.15Å
117Q89.6Confident91.3Very high93 Ų9376.8 Ų76.844%0.43535%0.354SS..Hα-helixtrans-64.9-40.2176.8-72.9178.815.200112.6E113 I114 K119 T120 R121E113-Q117 VanDerWaalsContact O-CG 3.31Å; E113-Q117 WeakPolarHBondContact O-CG 3.15Å; E113-Q117 PolarHBondContact O-N 2.86Å; E113-Q117 PolarHBondContact OE1-NE2 2.95Å; E113-Q117 VanDerWaalsContact OE1-NE2 3.1Å; I114-Q117 PolarHBondContact O-N 3.03Å; Q117-K119 VanDerWaalsContact C-N 3.28Å; Q117-K119 PolarHBondContact O-N 2.92Å; Q117-T120 PolarHBondContact O-N 3.08Å; Q117-R121 WeakPolarHBondContact O-CB 3.41Å; Q117-R121 PolarHBondContact O-N 2.72Å
118I87.3Confident91Very high29 Ų2982.4 Ų82.415%0.14938%0.38CS..Hα-helixtrans-59.1-44175.2-70.6166.5000110V48 I114 V115 R122V48-I118 HydrophobicContact CG1-CD1 3.83Å; I114-I118 HydrophobicContact CG2-CD1 3.72Å; I114-I118 HydrophobicContact CG2-CG1 4.25Å; I114-I118 VanDerWaalsContact O-CG1 3.26Å; I114-I118 WeakPolarHBondContact O-CG1 3.41Å; I114-I118 PolarHBondContact O-N 3.17Å; V115-I118 PolarHBondContact O-N 3.44Å; I118-R122 WeakPolarHBondContact O-CB 3.28Å; I118-R122 PolarHBondContact O-N 3.44Å
119K85.4Confident90.8Very high64 Ų6486.4 Ų86.428%0.27840%0.396SS..Hα-helixtrans-60.6-52.9176.7-179.5-167.2173-171.50111.4E43 V115 D116 Q117 R121 R122 E123E43-K119 WeakPolarHBondContact OE2-CE 3.46Å; E43-K119 IonicContact OE2-NZ 2.84Å; E43-K119 PolarHBondContact OE2-NZ 3.26Å; V115-K119 PolarHBondContact O-N 2.84Å; V115-K119 VanDerWaalsContact O-N 3.08Å; D116-K119 WeakPolarHBondContact O-CB 3.38Å; D116-K119 PolarHBondContact O-N 3.39Å; Q117-K119 VanDerWaalsContact C-N 3.28Å; Q117-K119 PolarHBondContact O-N 2.92Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-R121 PolarHBondContact O-N 2.87Å; K119-R122 PolarHBondContact O-N 3.29Å; K119-R122 VanDerWaalsContact O-N 3.15Å; K119-E123 WeakPolarHBondContact CE-OE1 3.45Å; K119-E123 IonicContact NZ-OE1 3.97Å; K119-E123 PolarHBondContact O-N 3.02Å
120T87.7Confident90.5Very high68 Ų6885.9 Ų85.942%0.41739%0.394SS..Hα-helixtrans-57.2-47.3-179.1-580000111.3D116 Q117 R122 E123 E124D116-T120 PolarHBondContact O-N 3.2Å; D116-T120 PolarHBondContact O-OG1 3.15Å; Q117-T120 PolarHBondContact O-N 3.08Å; T120-R122 VanDerWaalsContact C-N 3.33Å; T120-R122 PolarHBondContact O-N 3.01Å; T120-E123 PolarHBondContact O-N 2.84Å; T120-E124 HydrophobicContact CG2-CG 4.43Å; T120-E124 WeakPolarHBondContact O-CB 3.47Å; T120-E124 VanDerWaalsContact O-CG 3.31Å; T120-E124 WeakPolarHBondContact O-CG 3.41Å; T120-E124 PolarHBondContact O-N 2.96Å
121R86.8Confident90.3Very high95 Ų9589.1 Ų89.136%0.35841%0.408SS..Hα-helixtrans-59.1-43.3177.7177.5172.250.9156-0.6111.9E76 Q117 K119 E124 E125E76-R121 IonicContact OE1-CZ 2.74Å; E76-R121 VanDerWaalsContact OE1-CZ 3.25Å; E76-R121 IonicContact OE1-NH1 2.73Å; E76-R121 PolarHBondContact OE1-NH1 3.49Å; E76-R121 IonicContact OE1-NH2 3.75Å; E76-R121 PolarHBondContact OE1-NH2 2.97Å; E76-R121 IonicContact OE2-NH1 2.58Å; Q117-R121 WeakPolarHBondContact O-CB 3.41Å; Q117-R121 PolarHBondContact O-N 2.72Å; K119-R121 VanDerWaalsContact C-N 3.33Å; K119-R121 PolarHBondContact O-N 2.87Å; R121-E124 PolarHBondContact O-N 2.94Å; R121-E125 WeakPolarHBondContact O-CB 3.32Å; R121-E125 VanDerWaalsContact O-CG 3.28Å; R121-E125 WeakPolarHBondContact O-CG 3.39Å; R121-E125 PolarHBondContact O-N 3.35Å
122R86.2Confident90Very high118 Ų11895.2 Ų95.245%0.44544%0.437SS..Hα-helixtrans-67.8-39.5179.8-171.5-178.7-75.5161.3-1.7112.5E46 I118 K119 T120 K126E46-R122 IonicContact OE1-CZ 3.76Å; E46-R122 VanDerWaalsContact OE1-CZ 3.23Å; E46-R122 IonicContact OE1-NH1 3.94Å; E46-R122 PolarHBondContact OE1-NH1 3.3Å; E46-R122 IonicContact OE1-NH2 2.77Å; E46-R122 PolarHBondContact OE1-NH2 3.3Å; E46-R122 IonicContact OE2-CZ 3.25Å; E46-R122 IonicContact OE2-NH1 3.23Å; E46-R122 PolarHBondContact OE2-NH1 3.38Å; E46-R122 IonicContact OE2-NH2 2.78Å; I118-R122 WeakPolarHBondContact O-CB 3.28Å; I118-R122 PolarHBondContact O-N 3.44Å; K119-R122 PolarHBondContact O-N 3.29Å; K119-R122 VanDerWaalsContact O-N 3.15Å; T120-R122 VanDerWaalsContact C-N 3.33Å; T120-R122 PolarHBondContact O-N 3.01Å; R122-K126 WeakPolarHBondContact O-CB 3.31Å; R122-K126 PolarHBondContact O-N 3.1Å
123E88.1Confident89.7Confident104 Ų10495.9 Ų95.949%0.48645%0.447SS..Hα-helixtrans-64.3-43.3175.6-75178.3177.900111.6K119 T120 K126 K127K119-E123 WeakPolarHBondContact CE-OE1 3.45Å; K119-E123 IonicContact NZ-OE1 3.97Å; K119-E123 PolarHBondContact O-N 3.02Å; T120-E123 PolarHBondContact O-N 2.84Å; E123-K126 PolarHBondContact O-N 3.04Å; E123-K127 WeakPolarHBondContact O-CB 3.01Å; E123-K127 PolarHBondContact O-N 3.38Å
124E90.1Very high89.4Confident126 Ų12697.5 Ų97.559%0.58946%0.455SS*.Hα-helixtrans-63.1-44.7176-72.4176.6168.500111.9T120 R121 K126 K127 Q128T120-E124 HydrophobicContact CG2-CG 4.43Å; T120-E124 WeakPolarHBondContact O-CB 3.47Å; T120-E124 VanDerWaalsContact O-CG 3.31Å; T120-E124 WeakPolarHBondContact O-CG 3.41Å; T120-E124 PolarHBondContact O-N 2.96Å; R121-E124 PolarHBondContact O-N 2.94Å; E124-K126 PolarHBondContact O-N 2.96Å; E124-K127 PolarHBondContact O-N 2.91Å; E124-Q128 VanDerWaalsContact O-CB 3.32Å; E124-Q128 WeakPolarHBondContact O-CB 3.03Å; E124-Q128 PolarHBondContact O-N 2.66Å
125E89.7Confident89Confident124 Ų124102 Ų10258%0.57948%0.476SS*.Hα-helixtrans-62.2-42.1175.9-76.7175.7-179.600112.2R121 Q128 K129R121-E125 WeakPolarHBondContact O-CB 3.32Å; R121-E125 VanDerWaalsContact O-CG 3.28Å; R121-E125 WeakPolarHBondContact O-CG 3.39Å; R121-E125 PolarHBondContact O-N 3.35Å; E125-Q128 PolarHBondContact O-N 2.92Å; E125-K129 WeakPolarHBondContact O-CB 3.11Å; E125-K129 PolarHBondContact O-N 3.46Å
126K90.8Very high88.7Confident151 Ų151104.2 Ų104.266%0.65750%0.496SS*.Hα-helixtrans-62.2-48176.3-175.6-175.7173.6-169.10110.9R122 E123 E124 Q128 K129 E130R122-K126 WeakPolarHBondContact O-CB 3.31Å; R122-K126 PolarHBondContact O-N 3.1Å; E123-K126 PolarHBondContact O-N 3.04Å; E124-K126 PolarHBondContact O-N 2.96Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; K126-Q128 PolarHBondContact O-N 3.39Å; K126-K129 PolarHBondContact O-N 3.45Å; K126-E130 WeakPolarHBondContact O-CB 3.46Å; K126-E130 PolarHBondContact O-N 2.99Å
127K92.1Very high88.4Confident153 Ų153106.2 Ų106.267%0.66550%0.502SS*.Hα-helixtrans-63.1-39.8179.2-174.9177.2-178.2176.80112.1E123 E124 E130 K131E123-K127 WeakPolarHBondContact O-CB 3.01Å; E123-K127 PolarHBondContact O-N 3.38Å; E124-K127 PolarHBondContact O-N 2.91Å; K127-E130 PolarHBondContact O-N 2.98Å; K127-K131 WeakPolarHBondContact O-CB 3.38Å; K127-K131 PolarHBondContact O-N 3.49Å
128Q90.4Very high87.9Confident117 Ų117108.8 Ų108.855%0.54751%0.511SS..Hα-helixtrans-65.7-41178.2-172.66125.300111.5E124 E125 K126 K131 E132E124-Q128 VanDerWaalsContact O-CB 3.32Å; E124-Q128 WeakPolarHBondContact O-CB 3.03Å; E124-Q128 PolarHBondContact O-N 2.66Å; E125-Q128 PolarHBondContact O-N 2.92Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; K126-Q128 PolarHBondContact O-N 3.39Å; Q128-K131 PolarHBondContact O-N 2.58Å; Q128-E132 WeakPolarHBondContact O-CB 3.49Å; Q128-E132 PolarHBondContact O-N 3.2Å
129K92Very high87.3Confident156 Ų156114.5 Ų114.568%0.67854%0.538SS*.Hα-helixtrans-67.1-38.9177-172.8178.1179.6-177.50112.6E125 K126 E132 A133E125-K129 WeakPolarHBondContact O-CB 3.11Å; E125-K129 PolarHBondContact O-N 3.46Å; K126-K129 PolarHBondContact O-N 3.45Å; K129-E132 PolarHBondContact O-N 3.01Å; K129-A133 WeakPolarHBondContact O-CB 3.37Å; K129-A133 PolarHBondContact O-N 3.49Å
130E90.4Very high86.6Confident126 Ų126118.7 Ų118.759%0.58956%0.562SS**Hα-helixtrans-62.4-47174.6-175.6174179.400111K126 K127 E132 A133 E134K126-E130 WeakPolarHBondContact O-CB 3.46Å; K126-E130 PolarHBondContact O-N 2.99Å; K127-E130 PolarHBondContact O-N 2.98Å; E130-E132 PolarHBondContact O-N 3.44Å; E130-A133 WeakPolarHBondContact O-CB 3.43Å; E130-A133 PolarHBondContact O-N 2.96Å; E130-E134 PolarHBondContact O-N 3.44Å
131K90Very high85.4Confident108 Ų108123.8 Ų123.847%0.4758%0.579SS.*Hα-helixtrans-61.8-42.1176.3-174.3178.2175.7-175.80113K127 Q128 A133 E134 E135K127-K131 WeakPolarHBondContact O-CB 3.38Å; K127-K131 PolarHBondContact O-N 3.49Å; Q128-K131 PolarHBondContact O-N 2.58Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 PolarHBondContact O-N 3.01Å; K131-E134 PolarHBondContact O-N 3.45Å; K131-E135 WeakPolarHBondContact CE-OE1 3.36Å; K131-E135 IonicContact NZ-OE1 3.66Å; K131-E135 WeakPolarHBondContact O-CB 3.47Å; K131-E135 WeakPolarHBondContact O-CG 3.42Å; K131-E135 PolarHBondContact O-N 3.18Å
132E90.2Very high84.1Confident129 Ų129126.4 Ų126.460%0.60360%0.595SS**Hα-helixtrans-66-35.6177.1-172.6177.3-179.700111.7Q128 K129 E130 A136Q128-E132 WeakPolarHBondContact O-CB 3.49Å; Q128-E132 PolarHBondContact O-N 3.2Å; K129-E132 PolarHBondContact O-N 3.01Å; E130-E132 PolarHBondContact O-N 3.44Å; E132-A136 WeakPolarHBondContact O-CB 3.5Å; E132-A136 PolarHBondContact O-N 2.91Å
133A89.1Confident83.1Confident52 Ų52123.1 Ų123.143%0.4360%0.598SS.*Hα-helixtrans-66.1-4617400000111.5K129 E130 K131 E135 A136 E137K129-A133 WeakPolarHBondContact O-CB 3.37Å; K129-A133 PolarHBondContact O-N 3.49Å; E130-A133 WeakPolarHBondContact O-CB 3.43Å; E130-A133 PolarHBondContact O-N 2.96Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 PolarHBondContact O-N 3.01Å; A133-E135 PolarHBondContact O-N 3.45Å; A133-A136 WeakPolarHBondContact O-CB 3.44Å; A133-A136 PolarHBondContact O-N 2.98Å; A133-E137 WeakPolarHBondContact O-CG 3.47Å; A133-E137 PolarHBondContact O-N 3.22Å
134E86.5Confident82.2Confident124 Ų124123.7 Ų123.758%0.57961%0.608SS**Hα-helixtrans-61-43176.5-169.4-164.2148.400111.7E130 K131 A136 E137 K138E130-E134 PolarHBondContact O-N 3.44Å; K131-E134 PolarHBondContact O-N 3.45Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 3.09Å; E134-E137 PolarHBondContact O-N 3.39Å; E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 PolarHBondContact O-N 3.38Å
135E84.4Confident81Confident96 Ų96121.7 Ų121.745%0.44961%0.607SS.*Hα-helixtrans-65-36.1175.9-75.1179-174.600112.2K131 A133 Q139K131-E135 WeakPolarHBondContact CE-OE1 3.36Å; K131-E135 IonicContact NZ-OE1 3.66Å; K131-E135 WeakPolarHBondContact O-CB 3.47Å; K131-E135 WeakPolarHBondContact O-CG 3.42Å; K131-E135 PolarHBondContact O-N 3.18Å; A133-E135 PolarHBondContact O-N 3.45Å; E135-Q139 WeakPolarHBondContact O-CB 3.39Å; E135-Q139 WeakPolarHBondContact O-CG 3.48Å; E135-Q139 PolarHBondContact O-N 2.87Å
136A85.1Confident79.9Confident58 Ų58121.6 Ų121.648%0.47961%0.614SS.*Hα-helixtrans-68.7-38.9175.200000111.7E132 A133 E134 Q139 L140E132-A136 WeakPolarHBondContact O-CB 3.5Å; E132-A136 PolarHBondContact O-N 2.91Å; A133-A136 WeakPolarHBondContact O-CB 3.44Å; A133-A136 PolarHBondContact O-N 2.98Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 3.09Å; A136-Q139 PolarHBondContact O-N 3.1Å; A136-L140 PolarHBondContact O-N 3.41Å
137E83.6Confident79.4Confident140 Ų140117.4 Ų117.465%0.65460%0.601SS**Hα-helixtrans-66.7-42.5173.6-72.9-175.3143.200111.5A133 E134 Q139 L140 F141A133-E137 WeakPolarHBondContact O-CG 3.47Å; A133-E137 PolarHBondContact O-N 3.22Å; E134-E137 PolarHBondContact O-N 3.39Å; E137-Q139 VanDerWaalsContact C-N 3.33Å; E137-Q139 PolarHBondContact O-N 3.04Å; E137-L140 CarbonylContact O-C 3.5Å; E137-L140 WeakPolarHBondContact O-CB 3.31Å; E137-L140 PolarHBondContact O-N 3.47Å; E137-L140 VanDerWaalsContact O-N 3.1Å; E137-F141 WeakPolarHBondContact O-CB 3.36Å; E137-F141 PolarHBondContact O-N 2.96Å
138K79.2Confident79.1Confident146 Ų146116.7 Ų116.764%0.63560%0.603SS**Hα-helixtrans-61.9-39.9175.2-170.4170-174.3164.20112.2E134 L140 F141 H142E134-K138 WeakPolarHBondContact O-CB 3.33Å; E134-K138 PolarHBondContact O-N 3.38Å; K138-L140 VanDerWaalsContact C-N 3.32Å; K138-F141 PolarHBondContact O-N 3.21Å; K138-H142 WeakPolarHBondContact O-CB 3.39Å; K138-H142 PolarHBondContact O-N 3.29Å
139Q74.8Confident78.8Confident150 Ų150118.3 Ų118.370%0.70161%0.611SS**Hα-helixtrans-67.4-32.4174.3-76.6-179.357.100112.8E135 A136 E137E135-Q139 WeakPolarHBondContact O-CB 3.39Å; E135-Q139 WeakPolarHBondContact O-CG 3.48Å; E135-Q139 PolarHBondContact O-N 2.87Å; A136-Q139 PolarHBondContact O-N 3.1Å; E137-Q139 VanDerWaalsContact C-N 3.33Å; E137-Q139 PolarHBondContact O-N 3.04Å
140L70.7Confident78.3Confident151 Ų151113.7 Ų113.779%0.79159%0.594SS**Hα-helixtrans-72.9-35.9174.4-170.864.9000111.6A136 E137 K138A136-L140 PolarHBondContact O-N 3.41Å; E137-L140 CarbonylContact O-C 3.5Å; E137-L140 WeakPolarHBondContact O-CB 3.31Å; E137-L140 PolarHBondContact O-N 3.47Å; E137-L140 VanDerWaalsContact O-N 3.1Å; K138-L140 VanDerWaalsContact C-N 3.32Å
141F64.3Low78.1Confident175 Ų175112 Ų11277%0.76859%0.585SS**Hα-helixtrans-76.5-35-179.8-172.5-101.3000113.1E137 K138 G143E137-F141 WeakPolarHBondContact O-CB 3.36Å; E137-F141 PolarHBondContact O-N 2.96Å; K138-F141 PolarHBondContact O-N 3.21Å; F141-G143 VanDerWaalsContact C-N 3.28Å; F141-G143 PolarHBondContact O-N 2.98Å
142H57.8Low78.2Confident150 Ų150111.7 Ų111.769%0.69459%0.587SS**SBendtrans-70.888.4173.2-13976.4000108.8K138K138-H142 WeakPolarHBondContact O-CB 3.39Å; K138-H142 PolarHBondContact O-N 3.29Å
143G65.8Low78.1Confident50 Ų50110.5 Ų110.552%0.51559%0.585SS.*  trans-52.5168.8-179.600000113.2F141 P145F141-G143 VanDerWaalsContact C-N 3.28Å; F141-G143 PolarHBondContact O-N 2.98Å; G143-P145 WeakPolarHBondContact O-CD 3.47Å; G143-P145 VanDerWaalsContact O-N 3.08Å
144T68.3Low78.1Confident115 Ų115114.9 Ų114.971%0.70659%0.591SS**  trans-64.6114.8-177.9-46.70000110.4V146 N150T144-V146 PolarHBondContact O-N 3.36Å; T144-N150 VanDerWaalsContact CG2-ND2 3.31Å; T144-N150 WeakPolarHBondContact CG2-ND2 3.41Å
145P66.3Low78.3Confident85 Ų85113.4 Ų113.455%0.55258%0.582SS**  trans-60.6137.7-178.322.8-32.2000110.1G143 T147 N150G143-P145 WeakPolarHBondContact O-CD 3.47Å; G143-P145 VanDerWaalsContact O-N 3.08Å; P145-T147 PolarHBondContact O-N 2.88Å; P145-N150 PolarHBondContact O-ND2 3.47Å
146V66.7Low78.7Confident121 Ų121111.6 Ų111.673%0.73358%0.584SS**  trans-77.375.4-177.6-1730000109.5T144 F151T144-V146 PolarHBondContact O-N 3.36Å; V146-F151 HydrophobicContact CG1-CB 4.03Å; V146-F151 HydrophobicContact CG1-CD2 4.24Å
147T79.6Confident79Confident64 Ų64116.5 Ų116.539%0.39360%0.595SS.*  trans-77.2159.2168.466.10000110P145 E149 N150 F151P145-T147 PolarHBondContact O-N 2.88Å; T147-E149 PolarHBondContact O-N 2.83Å; T147-N150 PolarHBondContact O-N 3.46Å; T147-N150 VanDerWaalsContact O-N 3.09Å; T147-N150 WeakPolarHBondContact OG1-CB 3.46Å; T147-N150 VanDerWaalsContact OG1-CG 3.27Å; T147-N150 PolarHBondContact OG1-N 2.9Å; T147-N150 PolarHBondContact OG1-ND2 2.8Å; T147-F151 WeakPolarHBondContact O-CB 3.43Å; T147-F151 PolarHBondContact O-N 2.84Å
148I85.6Confident79.5Confident137 Ų137114.1 Ų114.170%0.70358%0.582SS**Hα-helixtrans-54.1-41.5178.5-62173.2000110.8F151 L152I148-F151 PolarHBondContact O-N 3.41Å; I148-L152 HydrophobicContact CG2-CD1 4.03Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.19Å; I148-L152 VanDerWaalsContact O-CG 3.23Å; I148-L152 WeakPolarHBondContact O-CG 3.15Å; I148-L152 PolarHBondContact O-N 2.88Å
149E83.5Confident80.1Confident151 Ų151110.7 Ų110.771%0.70657%0.571SS**Hα-helixtrans-67.4-42.6178.5-60.4-170.6148.900112.3T147 L152 N153T147-E149 PolarHBondContact O-N 2.83Å; E149-L152 PolarHBondContact O-N 2.82Å; E149-N153 WeakPolarHBondContact O-CB 3.23Å; E149-N153 PolarHBondContact O-N 3.29Å; E149-N153 PolarHBondContact O-ND2 2.9Å
150N82.6Confident80.9Confident60 Ų60106.3 Ų106.332%0.32156%0.56SS.*Hα-helixtrans-64.9-41.9175.7-76.1-16.3000111.5T144 P145 T147 N153 W154T144-N150 VanDerWaalsContact CG2-ND2 3.31Å; T144-N150 WeakPolarHBondContact CG2-ND2 3.41Å; P145-N150 PolarHBondContact O-ND2 3.47Å; T147-N150 PolarHBondContact O-N 3.46Å; T147-N150 VanDerWaalsContact O-N 3.09Å; T147-N150 WeakPolarHBondContact OG1-CB 3.46Å; T147-N150 VanDerWaalsContact OG1-CG 3.27Å; T147-N150 PolarHBondContact OG1-N 2.9Å; T147-N150 PolarHBondContact OG1-ND2 2.8Å; N150-N153 PolarHBondContact O-N 3.45Å; N150-W154 WeakPolarHBondContact O-CB 3.36Å; N150-W154 PolarHBondContact O-N 3.46Å
151F86.9Confident81.9Confident91 Ų91105.1 Ų105.140%0.39955%0.551SS.*Hα-helixtrans-64-42.4175.7-179-102000111.8V146 T147 I148 W154 K155V146-F151 HydrophobicContact CG1-CB 4.03Å; V146-F151 HydrophobicContact CG1-CD2 4.24Å; T147-F151 WeakPolarHBondContact O-CB 3.43Å; T147-F151 PolarHBondContact O-N 2.84Å; I148-F151 PolarHBondContact O-N 3.41Å; F151-W154 HydrophobicContact CD2-CE3 4.12Å; F151-W154 AromaticContact CE2-CE3 3.94Å; F151-W154 HydrophobicContact CE2-CE3 3.94Å; F151-W154 AromaticContact CE2-CZ3 3.9Å; F151-W154 HydrophobicContact CE2-CZ3 3.9Å; F151-W154 PolarHBondContact O-N 2.76Å; F151-K155 HydrophobicContact CE1-CD 4.15Å; F151-K155 WeakPolarHBondContact O-CB 3.33Å; F151-K155 PolarHBondContact O-N 3.38Å
152L90.9Very high83Confident100 Ų100101 Ų10152%0.52454%0.536SS..Hα-helixtrans-65.5-40.3176.8-73.6174.9000112.1I148 E149 K155 A156I148-L152 HydrophobicContact CG2-CD1 4.03Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.19Å; I148-L152 VanDerWaalsContact O-CG 3.23Å; I148-L152 WeakPolarHBondContact O-CG 3.15Å; I148-L152 PolarHBondContact O-N 2.88Å; E149-L152 PolarHBondContact O-N 2.82Å; L152-K155 PolarHBondContact O-N 3.38Å; L152-A156 WeakPolarHBondContact O-CB 3.42Å; L152-A156 PolarHBondContact O-N 3.4Å
153N88.1Confident84.6Confident104 Ų10499.4 Ų99.456%0.55653%0.532SS*.Hα-helixtrans-64.4-44.2174-80.8-31.5000111.9E149 N150 A156 K157E149-N153 WeakPolarHBondContact O-CB 3.23Å; E149-N153 PolarHBondContact O-N 3.29Å; E149-N153 PolarHBondContact O-ND2 2.9Å; N150-N153 PolarHBondContact O-N 3.45Å; N153-A156 PolarHBondContact O-N 2.81Å; N153-K157 WeakPolarHBondContact O-CG 3.45Å; N153-K157 PolarHBondContact O-N 3.39Å; N153-K157 VanDerWaalsContact O-N 3.16Å
154W89.7Confident85.6Confident145 Ų145101 Ų10155%0.54953%0.526SS..Hα-helixtrans-61.6-47.7174.7176.283.8000111.2N150 F151 A156 K157 F158N150-W154 WeakPolarHBondContact O-CB 3.36Å; N150-W154 PolarHBondContact O-N 3.46Å; F151-W154 HydrophobicContact CD2-CE3 4.12Å; F151-W154 AromaticContact CE2-CE3 3.94Å; F151-W154 HydrophobicContact CE2-CE3 3.94Å; F151-W154 AromaticContact CE2-CZ3 3.9Å; F151-W154 HydrophobicContact CE2-CZ3 3.9Å; F151-W154 PolarHBondContact O-N 2.76Å; W154-A156 VanDerWaalsContact C-N 3.33Å; W154-A156 PolarHBondContact O-N 3.11Å; W154-K157 WeakPolarHBondContact O-CB 3.48Å; W154-K157 PolarHBondContact O-N 3.3Å; W154-K157 VanDerWaalsContact O-N 3.12Å; W154-F158 HydrophobicContact CH2-CD2 4.35Å; W154-F158 HydrophobicContact CH2-CG 4.3Å; W154-F158 HydrophobicContact CZ2-CB 4.49Å; W154-F158 HydrophobicContact CZ2-CD2 4.12Å; W154-F158 HydrophobicContact CZ2-CG 4.36Å; W154-F158 WeakPolarHBondContact O-CB 3.33Å; W154-F158 PolarHBondContact O-N 2.84Å
155K90.5Very high86.5Confident92 Ų92100.2 Ų100.240%0.452%0.516SS..Hα-helixtrans-59.6-42.1178.1-175.6178.5179.8-1780111.8F151 L152 K157 F158 D159F151-K155 HydrophobicContact CE1-CD 4.15Å; F151-K155 WeakPolarHBondContact O-CB 3.33Å; F151-K155 PolarHBondContact O-N 3.38Å; L152-K155 PolarHBondContact O-N 3.38Å; K155-K157 VanDerWaalsContact C-N 3.33Å; K155-K157 PolarHBondContact O-N 3.31Å; K155-F158 PolarHBondContact O-N 3.45Å; K155-D159 VanDerWaalsContact O-CB 3.31Å; K155-D159 WeakPolarHBondContact O-CB 3.31Å; K155-D159 VanDerWaalsContact O-CG 3.31Å; K155-D159 PolarHBondContact O-N 2.85Å
156A93.2Very high87.4Confident59 Ų59101.2 Ų101.249%0.48851%0.512SS..Hα-helixtrans-61.5-41.3176.100000112.1L152 N153 W154 A160L152-A156 WeakPolarHBondContact O-CB 3.42Å; L152-A156 PolarHBondContact O-N 3.4Å; N153-A156 PolarHBondContact O-N 2.81Å; W154-A156 VanDerWaalsContact C-N 3.33Å; W154-A156 PolarHBondContact O-N 3.11Å; A156-A160 WeakPolarHBondContact O-CB 3.49Å; A156-A160 PolarHBondContact O-N 2.81Å; A156-A160 VanDerWaalsContact O-N 3.11Å
157K91.7Very high88.4Confident161 Ų161100 Ų10070%0.750%0.497SS*.Hα-helixtrans-66.4-45.3174.6-70.4177.7-179.4177.70111.7N153 W154 K155 A160 E161N153-K157 WeakPolarHBondContact O-CG 3.45Å; N153-K157 PolarHBondContact O-N 3.39Å; N153-K157 VanDerWaalsContact O-N 3.16Å; W154-K157 WeakPolarHBondContact O-CB 3.48Å; W154-K157 PolarHBondContact O-N 3.3Å; W154-K157 VanDerWaalsContact O-N 3.12Å; K155-K157 VanDerWaalsContact C-N 3.33Å; K155-K157 PolarHBondContact O-N 3.31Å; K157-A160 WeakPolarHBondContact O-CB 3.13Å; K157-A160 PolarHBondContact O-N 2.94Å; K157-E161 PolarHBondContact O-N 3.07Å
158F93.3Very high88.7Confident89 Ų89103 Ų10339%0.3951%0.505SS..Hα-helixtrans-62.9-46.7179.2-177-97.3000112W154 K155 A160 E161 L162W154-F158 HydrophobicContact CH2-CD2 4.35Å; W154-F158 HydrophobicContact CH2-CG 4.3Å; W154-F158 HydrophobicContact CZ2-CB 4.49Å; W154-F158 HydrophobicContact CZ2-CD2 4.12Å; W154-F158 HydrophobicContact CZ2-CG 4.36Å; W154-F158 WeakPolarHBondContact O-CB 3.33Å; W154-F158 PolarHBondContact O-N 2.84Å; K155-F158 PolarHBondContact O-N 3.45Å; F158-A160 VanDerWaalsContact C-N 3.29Å; F158-A160 PolarHBondContact O-N 3.47Å; F158-E161 PolarHBondContact O-N 3.12Å; F158-L162 HydrophobicContact CD1-CD1 4.44Å; F158-L162 HydrophobicContact CE1-CD1 3.59Å; F158-L162 HydrophobicContact CZ-CD1 3.7Å; F158-L162 WeakPolarHBondContact O-CB 3.49Å; F158-L162 PolarHBondContact O-N 3.16Å
159D91.6Very high88.5Confident75 Ų75102.9 Ų102.940%0.40150%0.495SS..Hα-helixtrans-62-38.4177-74.9-18.5000111K155 L163K155-D159 VanDerWaalsContact O-CB 3.31Å; K155-D159 WeakPolarHBondContact O-CB 3.31Å; K155-D159 VanDerWaalsContact O-CG 3.31Å; K155-D159 PolarHBondContact O-N 2.85Å; D159-L163 WeakPolarHBondContact O-CB 3.4Å; D159-L163 VanDerWaalsContact O-CG 3.24Å; D159-L163 WeakPolarHBondContact O-CG 3.36Å; D159-L163 PolarHBondContact O-N 3.02Å
160A92.9Very high88.1Confident58 Ų58100.5 Ų100.548%0.47949%0.485SS..Hα-helixtrans-65-42.7174.600000112.4A156 K157 F158 L163 E164A156-A160 WeakPolarHBondContact O-CB 3.49Å; A156-A160 PolarHBondContact O-N 2.81Å; A156-A160 VanDerWaalsContact O-N 3.11Å; K157-A160 WeakPolarHBondContact O-CB 3.13Å; K157-A160 PolarHBondContact O-N 2.94Å; F158-A160 VanDerWaalsContact C-N 3.29Å; F158-A160 PolarHBondContact O-N 3.47Å; A160-L163 PolarHBondContact O-N 3.09Å; A160-E164 PolarHBondContact O-N 2.96Å; A160-E164 VanDerWaalsContact O-N 3.09Å
161E90.2Very high88Confident126 Ų126103.1 Ų103.159%0.58949%0.494SS*.Hα-helixtrans-64.3-44.6176.9-170.4177.7171.400111.5K157 F158 L163 E164 I165K157-E161 PolarHBondContact O-N 3.07Å; F158-E161 PolarHBondContact O-N 3.12Å; E161-L163 VanDerWaalsContact C-N 3.31Å; E161-L163 PolarHBondContact O-N 3.4Å; E161-E164 PolarHBondContact O-N 2.88Å; E161-E164 VanDerWaalsContact O-N 3.09Å; E161-I165 HydrophobicContact CG-CD1 4.25Å; E161-I165 WeakPolarHBondContact O-CG1 3.38Å; E161-I165 PolarHBondContact O-N 2.89Å
162L88.4Confident87.3Confident89 Ų89104.4 Ų104.447%0.46650%0.501SS..Hα-helixtrans-66.2-34.7-179.5-153.8136.9000111.9F158 K166F158-L162 HydrophobicContact CD1-CD1 4.44Å; F158-L162 HydrophobicContact CE1-CD1 3.59Å; F158-L162 HydrophobicContact CZ-CD1 3.7Å; F158-L162 WeakPolarHBondContact O-CB 3.49Å; F158-L162 PolarHBondContact O-N 3.16Å; L162-K166 WeakPolarHBondContact O-CB 3.24Å; L162-K166 PolarHBondContact O-N 3.2Å
163L90.3Very high86.2Confident116 Ų116105.4 Ų105.461%0.60750%0.503SS*.Hα-helixtrans-64.8-41.6170.7-77.5171.7000112.2D159 A160 E161 K166 K167D159-L163 WeakPolarHBondContact O-CB 3.4Å; D159-L163 VanDerWaalsContact O-CG 3.24Å; D159-L163 WeakPolarHBondContact O-CG 3.36Å; D159-L163 PolarHBondContact O-N 3.02Å; A160-L163 PolarHBondContact O-N 3.09Å; E161-L163 VanDerWaalsContact C-N 3.31Å; E161-L163 PolarHBondContact O-N 3.4Å; L163-K166 PolarHBondContact O-N 2.93Å; L163-K167 VanDerWaalsContact O-CB 3.26Å; L163-K167 WeakPolarHBondContact O-CB 3.41Å; L163-K167 PolarHBondContact O-N 2.87Å
164E88.6Confident85.2Confident83 Ų83108.3 Ų108.339%0.38851%0.514SS..Hα-helixtrans-68.4-39178-165.659.4-147.100111.2A160 E161 K167 K168A160-E164 PolarHBondContact O-N 2.96Å; A160-E164 VanDerWaalsContact O-N 3.09Å; E161-E164 PolarHBondContact O-N 2.88Å; E161-E164 VanDerWaalsContact O-N 3.09Å; E164-K167 PolarHBondContact O-N 3.35Å; E164-K167 IonicContact OE2-NZ 2.72Å; E164-K168 WeakPolarHBondContact O-CB 3.39Å; E164-K168 WeakPolarHBondContact O-CG 3.26Å; E164-K168 PolarHBondContact O-N 2.89Å
165I85.6Confident83.9Confident98 Ų98109.6 Ų109.650%0.50353%0.525SS..Hα-helixtrans-59.7-48.3171.6-68.3168.7000110.4E161 K167 K168 R169E161-I165 HydrophobicContact CG-CD1 4.25Å; E161-I165 WeakPolarHBondContact O-CG1 3.38Å; E161-I165 PolarHBondContact O-N 2.89Å; I165-K167 VanDerWaalsContact C-N 3.31Å; I165-K167 PolarHBondContact O-N 3.09Å; I165-K168 PolarHBondContact O-N 3.09Å; I165-R169 PolarHBondContact O-N 3.33Å
166K86.6Confident82.4Confident106 Ų106106.4 Ų106.446%0.46152%0.517SS..Hα-helixtrans-62.8-38.6179.4-168.7179.5-179177.40111.9L162 L163 R169 M170L162-K166 WeakPolarHBondContact O-CB 3.24Å; L162-K166 PolarHBondContact O-N 3.2Å; L163-K166 PolarHBondContact O-N 2.93Å; K166-R169 PolarHBondContact O-N 2.88Å; K166-M170 HydrophobicContact CG-CE 4.27Å; K166-M170 WeakPolarHBondContact O-CG 3.47Å; K166-M170 PolarHBondContact O-N 3.38Å
167K87.6Confident80.4Confident96 Ų96106.4 Ų106.442%0.41752%0.522SS..Hα-helixtrans-67.9-40.8177-177.1-176.7173.5-166.80112L163 E164 I165 K171L163-K167 VanDerWaalsContact O-CB 3.26Å; L163-K167 WeakPolarHBondContact O-CB 3.41Å; L163-K167 PolarHBondContact O-N 2.87Å; E164-K167 PolarHBondContact O-N 3.35Å; E164-K167 IonicContact OE2-NZ 2.72Å; I165-K167 VanDerWaalsContact C-N 3.31Å; I165-K167 PolarHBondContact O-N 3.09Å; K167-K171 WeakPolarHBondContact O-CG 3.45Å; K167-K171 PolarHBondContact O-N 3.28Å; K167-K171 VanDerWaalsContact O-N 3.09Å
168K84.9Confident78.5Confident127 Ų127108.2 Ų108.255%0.55253%0.53SS*.Hα-helixtrans-61.1-47.6171.6-76.7-179.2179.6179.70110.9E164 I165 M170 K171 E172E164-K168 WeakPolarHBondContact O-CB 3.39Å; E164-K168 WeakPolarHBondContact O-CG 3.26Å; E164-K168 PolarHBondContact O-N 2.89Å; I165-K168 PolarHBondContact O-N 3.09Å; K168-M170 PolarHBondContact O-N 3.14Å; K168-K171 PolarHBondContact O-N 2.76Å; K168-E172 WeakPolarHBondContact O-CG 3.5Å; K168-E172 PolarHBondContact O-N 3.45Å
169R81.8Confident76.7Confident135 Ų135111.3 Ų111.351%0.50955%0.551SS.*Hα-helixtrans-59-45.2177.6-168.9179.372.5-159.72.7112.6I165 K166 K171 E172 E173I165-R169 PolarHBondContact O-N 3.33Å; K166-R169 PolarHBondContact O-N 2.88Å; R169-K171 VanDerWaalsContact C-N 3.34Å; R169-K171 PolarHBondContact O-N 2.72Å; R169-E172 PolarHBondContact O-N 3.06Å; R169-E173 HydrophobicContact CG-CG 4.49Å; R169-E173 WeakPolarHBondContact O-CB 3.43Å; R169-E173 WeakPolarHBondContact O-CG 3.45Å; R169-E173 PolarHBondContact O-N 2.85Å
170M75.5Confident75.1Confident100 Ų100115.6 Ų115.649%0.49357%0.566SS.*Hα-helixtrans-63.4-39.6177.5-75.8-171.2-66.700112.2K166 K168 E173 E174K166-M170 HydrophobicContact CG-CE 4.27Å; K166-M170 WeakPolarHBondContact O-CG 3.47Å; K166-M170 PolarHBondContact O-N 3.38Å; K168-M170 PolarHBondContact O-N 3.14Å; M170-E173 PolarHBondContact O-N 2.84Å; M170-E174 VanDerWaalsContact O-CB 3.28Å; M170-E174 WeakPolarHBondContact O-CB 3.44Å; M170-E174 PolarHBondContact O-N 3.4Å
171K79.5Confident73.7Confident115 Ų115117 Ų11750%0.557%0.565SS.*Hα-helixtrans-65.3-39.1174.4-75.2179.5176.3-175.60112.3K167 K168 R169 Q175K167-K171 WeakPolarHBondContact O-CG 3.45Å; K167-K171 PolarHBondContact O-N 3.28Å; K167-K171 VanDerWaalsContact O-N 3.09Å; K168-K171 PolarHBondContact O-N 2.76Å; R169-K171 VanDerWaalsContact C-N 3.34Å; R169-K171 PolarHBondContact O-N 2.72Å; K171-Q175 WeakPolarHBondContact O-CB 3.47Å; K171-Q175 WeakPolarHBondContact O-CG 3.28Å; K171-Q175 PolarHBondContact O-N 2.82Å
172E72Confident72.6Confident119 Ų119114.2 Ų114.256%0.55656%0.559SS**Hα-helixtrans-69.1-38.2175.8-76179.5179.200112.5K168 R169 Q175 A176K168-E172 WeakPolarHBondContact O-CG 3.5Å; K168-E172 PolarHBondContact O-N 3.45Å; R169-E172 PolarHBondContact O-N 3.06Å; E172-Q175 PolarHBondContact O-N 3.4Å; E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.26Å
173E69Low71.6Confident120 Ų120112.8 Ų112.856%0.56157%0.566SS**Hα-helixtrans-66-41.5173.4-79.7178158.700111.5R169 M170 Q175 A176 G177R169-E173 HydrophobicContact CG-CG 4.49Å; R169-E173 WeakPolarHBondContact O-CB 3.43Å; R169-E173 WeakPolarHBondContact O-CG 3.45Å; R169-E173 PolarHBondContact O-N 2.85Å; M170-E173 PolarHBondContact O-N 2.84Å; E173-Q175 VanDerWaalsContact C-N 3.33Å; E173-Q175 PolarHBondContact O-N 3.24Å; E173-A176 PolarHBondContact O-N 3.4Å; E173-G177 PolarHBondContact O-N 3.45Å
174E66.8Low70.6Confident166 Ų166114 Ų11478%0.77657%0.566SS**Hα-helixtrans-65.6-36.5176.3-165.5177.4-173.300111.5M170M170-E174 VanDerWaalsContact O-CB 3.28Å; M170-E174 WeakPolarHBondContact O-CB 3.44Å; M170-E174 PolarHBondContact O-N 3.4Å
175Q61.6Low69.7Low171 Ų171114.6 Ų114.680%0.79957%0.569SS**Hα-helixtrans-76.4-28.6173.1-74.1-179.612.900113.5K171 E172 E173 G177K171-Q175 WeakPolarHBondContact O-CB 3.47Å; K171-Q175 WeakPolarHBondContact O-CG 3.28Å; K171-Q175 PolarHBondContact O-N 2.82Å; E172-Q175 PolarHBondContact O-N 3.4Å; E173-Q175 VanDerWaalsContact C-N 3.33Å; E173-Q175 PolarHBondContact O-N 3.24Å; Q175-G177 PolarHBondContact O-N 3.16Å
176A60.1Low68.8Low26 Ų26113.9 Ų113.922%0.21557%0.566CS.*THydrogen-bonded Turntrans-79.7-2.7178.600000114.1E172 E173 K178 K180E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.26Å; E173-A176 PolarHBondContact O-N 3.4Å; A176-K178 PolarHBondContact O-N 3.41Å; A176-K180 HydrophobicContact CB-CD 3.67Å; A176-K180 HydrophobicContact CB-CG 4.09Å
177G50.6Low67.7Low59 Ų59115.5 Ų115.561%0.60857%0.573SS**THydrogen-bonded Turntrans-63.123.2-168.900000118.8E173 Q175E173-G177 PolarHBondContact O-N 3.45Å; Q175-G177 PolarHBondContact O-N 3.16Å
178K52.2Low66.8Low198 Ų198117.5 Ų117.586%0.86158%0.584SS**THydrogen-bonded Turntrans-135.7-21.7167.2-69.2-169.1177.8175.40117.9A176A176-K178 PolarHBondContact O-N 3.41Å
179N54.5Low65.9Low155 Ų155116.6 Ų116.683%0.82959%0.589SS**THydrogen-bonded Turntrans-14410.1-168.8-97.344.1000117.7L181N179-L181 PolarHBondContact O-N 3.28Å
180K58.8Low64.9Low164 Ų164114 Ų11471%0.71359%0.586SS**  trans-84.2106.8176.6-69.6-167.8-174.5175.10111A176A176-K180 HydrophobicContact CB-CD 3.67Å; A176-K180 HydrophobicContact CB-CG 4.09Å
181L62.4Low64.4Low89 Ų89116.8 Ų116.847%0.46660%0.597SS.*  trans-56139.6165.4-78.2144.4000109.1N179 Q185 L186N179-L181 PolarHBondContact O-N 3.28Å; L181-Q185 HydrophobicContact CB-CB 4.09Å; L181-Q185 HydrophobicContact CD2-CB 3.65Å; L181-Q185 HydrophobicContact CD2-CG 4.38Å; L181-L186 HydrophobicContact CB-CD1 4.11Å
182S68.9Low63.7Low67 Ų67116.1 Ų116.147%0.46960%0.599SS.*  trans-57.5149.2173.2168.30000110.4K184 Q185 L186S182-K184 PolarHBondContact O-N 3.28Å; S182-K184 PolarHBondContact OG-N 2.9Å; S182-Q185 VanDerWaalsContact N-OE1 3.13Å; S182-Q185 CarbonylContact O-C 3.48Å; S182-Q185 WeakPolarHBondContact O-CA 3.45Å; S182-Q185 WeakPolarHBondContact O-CB 3.5Å; S182-Q185 PolarHBondContact O-N 2.95Å; S182-L186 PolarHBondContact O-N 3.43Å
183G66Low63.1Low58 Ų58113.1 Ų113.160%0.59859%0.586SS**Hα-helixtrans-52.6-31.2176.900000113.3F187G183-F187 PolarHBondContact O-N 3.09Å
184K69Low62.8Low143 Ų143111.8 Ų111.862%0.62258%0.583SS**Hα-helixtrans-67.7-39.8171.2-175.2178.4175-173.70113S182 F187 E188S182-K184 PolarHBondContact O-N 3.28Å; S182-K184 PolarHBondContact OG-N 2.9Å; K184-F187 PolarHBondContact O-N 3.33Å; K184-E188 WeakPolarHBondContact CE-OE1 3.41Å; K184-E188 IonicContact NZ-OE1 2.66Å; K184-E188 WeakPolarHBondContact O-CG 3.32Å; K184-E188 PolarHBondContact O-N 3.1Å; K184-E188 VanDerWaalsContact O-N 3.09Å
185Q71.3Confident62.6Low94 Ų94106.2 Ų106.244%0.43956%0.56SS.*Hα-helixtrans-73.3-33.3179-65.8178.9-74.100112.2L181 S182 F187 E188 T189L181-Q185 HydrophobicContact CB-CB 4.09Å; L181-Q185 HydrophobicContact CD2-CB 3.65Å; L181-Q185 HydrophobicContact CD2-CG 4.38Å; S182-Q185 VanDerWaalsContact N-OE1 3.13Å; S182-Q185 CarbonylContact O-C 3.48Å; S182-Q185 WeakPolarHBondContact O-CA 3.45Å; S182-Q185 WeakPolarHBondContact O-CB 3.5Å; S182-Q185 PolarHBondContact O-N 2.95Å; Q185-F187 VanDerWaalsContact C-N 3.34Å; Q185-E188 PolarHBondContact O-N 3.46Å; Q185-T189 PolarHBondContact O-N 2.63Å; Q185-T189 VanDerWaalsContact O-N 3.09Å; Q185-T189 PolarHBondContact O-OG1 3.45Å
186L65.9Low62.7Low83 Ų83100.4 Ų100.444%0.43554%0.538SS..Hα-helixtrans-60.8-44.6171.7-114.9123.2000110.9L181 S182 E188 T189 D190 L193L181-L186 HydrophobicContact CB-CD1 4.11Å; S182-L186 PolarHBondContact O-N 3.43Å; L186-E188 PolarHBondContact O-N 3.43Å; L186-T189 PolarHBondContact O-N 2.82Å; L186-D190 PolarHBondContact O-N 3.18Å; L186-L193 HydrophobicContact CD2-CD1 4.28Å
187F64Low62.8Low141 Ų141105.1 Ų105.162%0.61856%0.56SS**Hα-helixtrans-67.9-31.9177.6-126.9-93.6000113.7G183 K184 Q185 L193G183-F187 PolarHBondContact O-N 3.09Å; K184-F187 PolarHBondContact O-N 3.33Å; Q185-F187 VanDerWaalsContact C-N 3.34Å; F187-L193 HydrophobicContact CD2-CD1 4.3Å; F187-L193 HydrophobicContact CE2-CB 4.37Å
188E67.7Low63.5Low138 Ų138107.6 Ų107.665%0.64556%0.558SS**Hα-helixtrans-81.2-19.9178-75.5175.5179.300113.4K184 Q185 L186K184-E188 WeakPolarHBondContact CE-OE1 3.41Å; K184-E188 IonicContact NZ-OE1 2.66Å; K184-E188 WeakPolarHBondContact O-CG 3.32Å; K184-E188 PolarHBondContact O-N 3.1Å; K184-E188 VanDerWaalsContact O-N 3.09Å; Q185-E188 PolarHBondContact O-N 3.46Å; L186-E188 PolarHBondContact O-N 3.43Å
189T66.9Low64Low107 Ų107104 Ų10466%0.65654%0.544SS*.Hα-helixtrans-101.9-28.5-17940.10000114.4Q185 L186Q185-T189 PolarHBondContact O-N 2.63Å; Q185-T189 VanDerWaalsContact O-N 3.09Å; Q185-T189 PolarHBondContact O-OG1 3.45Å; L186-T189 PolarHBondContact O-N 2.82Å
190D59.7Low64.3Low82 Ų82104.4 Ų104.444%0.43954%0.539SS..  trans-114.696.6177.6-161-17.6000111L186 N192 L193L186-D190 PolarHBondContact O-N 3.18Å; D190-N192 PolarHBondContact O-N 2.89Å; D190-N192 WeakPolarHBondContact OD1-CB 3.49Å; D190-N192 PolarHBondContact OD1-N 3.42Å; D190-L193 HydrophobicContact CB-CD1 4.22Å; D190-L193 HydrophobicContact CB-CG 4.47Å; D190-L193 PolarHBondContact O-N 3.24Å
191H65.3Low64.6Low158 Ų158101.3 Ų101.373%0.73153%0.53SS*.G310 helixtrans-70.8-4.5176.8-156.7-52.5000112.3L193 D194H191-L193 VanDerWaalsContact C-N 3.3Å; H191-D194 IonicContact CE1-OD2 3.88Å
192N65.7Low64.6Low101 Ų101104.5 Ų104.554%0.5454%0.543SS..G310 helixtrans-86.80178.6-15133.8000113.2D190 T195D190-N192 PolarHBondContact O-N 2.89Å; D190-N192 WeakPolarHBondContact OD1-CB 3.49Å; D190-N192 PolarHBondContact OD1-N 3.42Å; N192-T195 PolarHBondContact O-OG1 3.49Å; N192-T195 PolarHBondContact OD1-OG1 3.44Å
193L59.7Low64.2Low56 Ų56108.9 Ų108.929%0.29356%0.561SS.*G310 helixtrans-73.9-24.7175.6-79.3164.6000112.8L186 F187 D190 H191 T195 S196L186-L193 HydrophobicContact CD2-CD1 4.28Å; F187-L193 HydrophobicContact CD2-CD1 4.3Å; F187-L193 HydrophobicContact CE2-CB 4.37Å; D190-L193 HydrophobicContact CB-CD1 4.22Å; D190-L193 HydrophobicContact CB-CG 4.47Å; D190-L193 PolarHBondContact O-N 3.24Å; H191-L193 VanDerWaalsContact C-N 3.3Å; L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 PolarHBondContact O-N 2.89Å; L193-S196 PolarHBondContact O-OG 2.98Å
194D62.6Low63.8Low92 Ų92109.4 Ų109.449%0.49256%0.559SS.*THydrogen-bonded Turntrans-70.4-22.9179.683.1-16.7000113.7H191H191-D194 IonicContact CE1-OD2 3.88Å
195T62.9Low62.9Low48 Ų48105 Ų10529%0.29455%0.554SS.*THydrogen-bonded Turntrans-105.2-7.7-178.354.70000113.3N192 L193 D197 I198 Q199N192-T195 PolarHBondContact O-OG1 3.49Å; N192-T195 PolarHBondContact OD1-OG1 3.44Å; L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 PolarHBondContact O-N 2.89Å; T195-D197 PolarHBondContact O-N 3.09Å; T195-I198 PolarHBondContact O-N 3.19Å; T195-I198 VanDerWaalsContact O-N 3.14Å; T195-Q199 PolarHBondContact O-N 2.92Å
196S63.7Low62.1Low49 Ų49107 Ų10734%0.34357%0.568SS.*Hα-helixtrans-64.8-36.6-175.765.40000113.4L193 I198 F200L193-S196 PolarHBondContact O-OG 2.98Å; S196-I198 VanDerWaalsContact C-N 3.35Å; S196-F200 PolarHBondContact O-N 3.29Å
197D61.2Low61.6Low126 Ų126108 Ų10867%0.67457%0.573SS**Hα-helixtrans-69.7-32.5174.3-73.6-13.6000112.1T195 L201T195-D197 PolarHBondContact O-N 3.09Å; D197-L201 PolarHBondContact O-N 3.26Å
198I65.8Low61.5Low111 Ų111107.2 Ų107.257%0.56958%0.58SS**Hα-helixtrans-72-41.4178.8-68.2169.3000110.6T195 S196 F200 L201 E202T195-I198 PolarHBondContact O-N 3.19Å; T195-I198 VanDerWaalsContact O-N 3.14Å; S196-I198 VanDerWaalsContact C-N 3.35Å; I198-F200 VanDerWaalsContact C-N 3.31Å; I198-F200 PolarHBondContact O-N 2.96Å; I198-L201 PolarHBondContact O-N 3.38Å; I198-E202 PolarHBondContact O-N 3.28Å; I198-E202 VanDerWaalsContact O-N 3.13Å
199Q62.1Low61.3Low121 Ų121108.6 Ų108.657%0.56559%0.587SS**Hα-helixtrans-66.6-32.1177.6-102.5-179.3-2500112.9T195 E202 D203T195-Q199 PolarHBondContact O-N 2.92Å; Q199-E202 PolarHBondContact O-N 3.39Å; Q199-D203 WeakPolarHBondContact O-CB 3.35Å; Q199-D203 PolarHBondContact O-N 2.77Å
200F62Low61.2Low165 Ų165107.9 Ų107.972%0.72458%0.582SS**Hα-helixtrans-71.5-34.8178.6-149.7-95.6000112.5S196 I198 A204S196-F200 PolarHBondContact O-N 3.29Å; I198-F200 VanDerWaalsContact C-N 3.31Å; I198-F200 PolarHBondContact O-N 2.96Å; F200-A204 VanDerWaalsContact O-CB 3.31Å; F200-A204 WeakPolarHBondContact O-CB 3.11Å; F200-A204 PolarHBondContact O-N 3.25Å
201L63.3Low61.6Low99 Ų99108.8 Ų108.852%0.51859%0.587SS.*Hα-helixtrans-69-32.6171.9-89148.6000112.7D197 I198 N206D197-L201 PolarHBondContact O-N 3.26Å; I198-L201 PolarHBondContact O-N 3.38Å; L201-N206 PolarHBondContact O-N 2.97Å
202E62.3Low61.7Low156 Ų156108 Ų10873%0.72958%0.583SS**Hα-helixtrans-77.4-37.2179.2-161.2168.4-149.700112.6I198 Q199I198-E202 PolarHBondContact O-N 3.28Å; I198-E202 VanDerWaalsContact O-N 3.13Å; Q199-E202 PolarHBondContact O-N 3.39Å
203D60.7Low62Low159 Ų159106.1 Ų106.185%0.8558%0.578SS**Hα-helixtrans-82.6-25.9-178.5-142.129.7000113.2Q199 G205Q199-D203 WeakPolarHBondContact O-CB 3.35Å; Q199-D203 PolarHBondContact O-N 2.77Å; D203-G205 VanDerWaalsContact C-N 3.29Å
204A57.7Low62.3Low68 Ų68109.5 Ų109.556%0.56260%0.596SS**THydrogen-bonded Turntrans-86.54172.200000113.6F200 N206F200-A204 VanDerWaalsContact O-CB 3.31Å; F200-A204 WeakPolarHBondContact O-CB 3.11Å; F200-A204 PolarHBondContact O-N 3.25Å; A204-N206 PolarHBondContact O-N 2.81Å
205G50.2Low62.5Low50 Ų50111.3 Ų111.352%0.51560%0.6SS.*THydrogen-bonded Turntrans59.647173.600000113.7D203 N207D203-G205 VanDerWaalsContact C-N 3.29Å; G205-N207 WeakPolarHBondContact O-CB 3.33Å; G205-N207 PolarHBondContact O-N 3.41Å
206N55.3Low62.6Low136 Ų136115.2 Ų115.273%0.72762%0.615SS**THydrogen-bonded Turntrans46.418.6166.6-12858.8000117.4L201 A204L201-N206 PolarHBondContact O-N 2.97Å; A204-N206 PolarHBondContact O-N 2.81Å
207N55.6Low62.5Low104 Ų104120.9 Ų120.956%0.55664%0.636SS**  trans-11584-174.1-166.7-39000108.3G205 E209G205-N207 WeakPolarHBondContact O-CB 3.33Å; G205-N207 PolarHBondContact O-N 3.41Å; N207-E209 PolarHBondContact O-N 3.1Å; N207-E209 WeakPolarHBondContact OD1-CA 3.35Å; N207-E209 WeakPolarHBondContact OD1-CB 3.41Å; N207-E209 WeakPolarHBondContact OD1-CG 3.4Å; N207-E209 PolarHBondContact OD1-N 2.7Å; N207-E209 VanDerWaalsContact OD1-N 3.1Å
208V61.1Low62.4Low125 Ų125120.5 Ų120.576%0.75863%0.631SS**  trans-81.795.2153.5174.10000104.6V210V208-V210 HydrophobicContact CG1-CG2 4.24Å; V208-V210 PolarHBondContact O-N 3.2Å
209E62.7Low62Low168 Ų168122.1 Ų122.179%0.78564%0.641SS**  trans-67.897.4174.2-125.3163.4-150.700107N207 D211N207-E209 PolarHBondContact O-N 3.1Å; N207-E209 WeakPolarHBondContact OD1-CA 3.35Å; N207-E209 WeakPolarHBondContact OD1-CB 3.41Å; N207-E209 WeakPolarHBondContact OD1-CG 3.4Å; N207-E209 PolarHBondContact OD1-N 2.7Å; N207-E209 VanDerWaalsContact OD1-N 3.1Å; E209-D211 PolarHBondContact O-N 3.32Å
210V65.5Low61.8Low92 Ų92123.4 Ų123.456%0.55865%0.652SS**  trans-75.5113.2170.3-179.40000106V208 E212 F215V208-V210 HydrophobicContact CG1-CG2 4.24Å; V208-V210 PolarHBondContact O-N 3.2Å; V210-E212 PolarHBondContact O-N 3.44Å; V210-F215 HydrophobicContact CG1-CE2 3.96Å
211D69Low61.4Low100 Ų100120.5 Ų120.554%0.53564%0.643SS.*  trans-72.693176.5-162.4-18000108.8E209 S213 L214E209-D211 PolarHBondContact O-N 3.32Å; D211-S213 PolarHBondContact O-N 3.49Å; D211-S213 VanDerWaalsContact O-N 3.09Å; D211-S213 WeakPolarHBondContact OD1-CB 3.31Å; D211-S213 PolarHBondContact OD1-N 2.93Å; D211-S213 PolarHBondContact OD1-OG 2.76Å; D211-L214 HydrophobicContact CB-CD1 4.27Å; D211-L214 WeakPolarHBondContact O-CB 3.41Å; D211-L214 PolarHBondContact O-N 3.39Å; D211-L214 VanDerWaalsContact O-N 3.1Å
212E67.2Low61Low141 Ų141124.3 Ų124.366%0.65966%0.658SS**THydrogen-bonded Turntrans-58.9-17.8-178.2-75.9179.6173.600113V210 L214 F215 Q216V210-E212 PolarHBondContact O-N 3.44Å; E212-L214 PolarHBondContact O-N 3.42Å; E212-F215 PolarHBondContact O-N 3.29Å; E212-F215 VanDerWaalsContact O-N 3.16Å; E212-Q216 PolarHBondContact O-N 3Å
213S71.8Confident60.6Low63 Ų63124.4 Ų124.444%0.44166%0.663SS.*Hα-helixtrans-64.1-27.4174.768.80000113D211 F215 Q216D211-S213 PolarHBondContact O-N 3.49Å; D211-S213 VanDerWaalsContact O-N 3.09Å; D211-S213 WeakPolarHBondContact OD1-CB 3.31Å; D211-S213 PolarHBondContact OD1-N 2.93Å; D211-S213 PolarHBondContact OD1-OG 2.76Å; S213-F215 PolarHBondContact O-N 3.44Å; S213-Q216 PolarHBondContact O-N 3.36Å
214L66.1Low60.2Low126 Ų126124.6 Ų124.666%0.6666%0.659SS**Hα-helixtrans-68.4-16.7175.7-86.3157.8000113.7D211 E212D211-L214 HydrophobicContact CB-CD1 4.27Å; D211-L214 WeakPolarHBondContact O-CB 3.41Å; D211-L214 PolarHBondContact O-N 3.39Å; D211-L214 VanDerWaalsContact O-N 3.1Å; E212-L214 PolarHBondContact O-N 3.42Å
215F65.7Low59.9Low131 Ų131127.8 Ų127.858%0.57567%0.666SS**Hα-helixtrans-105.6-15-179.5-65.5-83.4000113.1V210 E212 S213 M218V210-F215 HydrophobicContact CG1-CE2 3.96Å; E212-F215 PolarHBondContact O-N 3.29Å; E212-F215 VanDerWaalsContact O-N 3.16Å; S213-F215 PolarHBondContact O-N 3.44Å; F215-M218 WeakPolarHBondContact O-CB 3.37Å; F215-M218 PolarHBondContact O-N 3.13Å
216Q64.8Low60Low129 Ų129131.8 Ų131.860%0.60368%0.676SS**Hα-helixtrans-71.3-29.5178.9-76.4172.9300112.7E212 S213 M218 D219E212-Q216 PolarHBondContact O-N 3Å; S213-Q216 PolarHBondContact O-N 3.36Å; Q216-M218 PolarHBondContact O-N 3.22Å; Q216-D219 PolarHBondContact O-N 3.41Å
217E61.7Low60Low169 Ų169133.2 Ų133.279%0.7968%0.678SS**THydrogen-bonded Turntrans-69.8-10.9173-77.7179.7174.800113.5
218M59.1Low59.7Low118 Ų118135.6 Ų135.658%0.58169%0.691SS**THydrogen-bonded Turntrans-86.8-22.8178-158.882.169.500112.7F215 Q216 L221F215-M218 WeakPolarHBondContact O-CB 3.37Å; F215-M218 PolarHBondContact O-N 3.13Å; Q216-M218 PolarHBondContact O-N 3.22Å; M218-L221 HydrophobicContact CG-CD1 4.24Å; M218-L221 WeakPolarHBondContact O-CB 3.45Å; M218-L221 PolarHBondContact O-N 3.09Å; M218-L221 HydrophobicContact SD-CD1 3.73Å
219D57.6Low59.6Low144 Ų144134.3 Ų134.377%0.7768%0.68SS**THydrogen-bonded Turntrans-80.2-16.8179.6-84.6-20.5000112.7Q216 L221Q216-D219 PolarHBondContact O-N 3.41Å; D219-L221 VanDerWaalsContact C-N 3.25Å
220D57.4Low59.6Low148 Ų148132.5 Ų132.579%0.79168%0.683SS**THydrogen-bonded Turntrans-83.41.6170.7-87.1-13.4000112.7E222D220-E222 PolarHBondContact O-N 3.05Å
221L54.9Low59.5Low105 Ų105135.1 Ų135.155%0.5569%0.694SS.*  trans-7374.1157.7-71.9164.9000107.9M218 D219 L223M218-L221 HydrophobicContact CG-CD1 4.24Å; M218-L221 WeakPolarHBondContact O-CB 3.45Å; M218-L221 PolarHBondContact O-N 3.09Å; M218-L221 HydrophobicContact SD-CD1 3.73Å; D219-L221 VanDerWaalsContact C-N 3.25Å; L221-L223 PolarHBondContact O-N 3.46Å
222E54.9Low59.1Low178 Ų178139 Ų13983%0.83270%0.702SS**  trans-56.897148.2-76.9-169.6160.200105.2D220 E224D220-E222 PolarHBondContact O-N 3.05Å; E222-E224 PolarHBondContact O-N 3.5Å
223L54.1Low59.1Low158 Ų158137 Ų13783%0.82770%0.696SS**  trans-53.3100.1155.1-75.6165000104.1L221 D225L221-L223 PolarHBondContact O-N 3.46Å; L223-D225 PolarHBondContact O-N 3.41Å
224E52.6Low58.7Low163 Ų163139.1 Ų139.176%0.76271%0.708SS**  trans-49.8108.1155.3-84.2-175.7152.800103.8E222 D226E222-E224 PolarHBondContact O-N 3.5Å; E224-D226 PolarHBondContact O-N 3.24Å
225D50.8Low58.5Low135 Ų135137 Ų13772%0.72271%0.709SS**  trans-62.781.4168.4-131-6.9000103.9L223 E227L223-D225 PolarHBondContact O-N 3.41Å; D225-E227 PolarHBondContact O-N 3.41Å
226D52.9Low58Low134 Ų134134.6 Ų134.672%0.71770%0.702SS**  trans-6761.8164-84.9-45.2000106.6E224 D228E224-D226 PolarHBondContact O-N 3.24Å; D226-D228 PolarHBondContact O-N 2.96Å
227E53.6Low57.6Low166 Ų166134.4 Ų134.478%0.77671%0.712SS**  trans-752.2167.3-95.7-156.7126.100111.3D225D225-E227 PolarHBondContact O-N 3.41Å
228D50.8Low57.3Low155 Ų155134.1 Ų134.183%0.82971%0.711SS**  trans-115.550.2177.6-93.6-39.5000111.9D226 P230D226-D228 PolarHBondContact O-N 2.96Å; D228-P230 WeakPolarHBondContact O-CD 3.42Å
229D57.8Low57Low97 Ų97133.6 Ų133.652%0.51972%0.719SS.*  trans-80.8103.6153.6-173.3-8.2000108.8D231 Y232D229-D231 PolarHBondContact O-N 3.14Å; D229-D231 VanDerWaalsContact O-N 3.07Å; D229-D231 PolarHBondContact OD1-N 2.63Å; D229-Y232 PolarHBondContact O-N 3.09Å; D229-Y232 VanDerWaalsContact O-N 3.14Å
230P62.9Low56.8Low130 Ų130134.3 Ų134.384%0.84472%0.723SS**THydrogen-bonded Turntrans-66.6-6.9-179.430.1-37000113.8D228D228-P230 WeakPolarHBondContact O-CD 3.42Å
231D63.3Low56.2Low148 Ų148132.6 Ų132.679%0.79172%0.722SS**THydrogen-bonded Turntrans-99.4-6.4176-106.4-9.3000113.6D229 N233D229-D231 PolarHBondContact O-N 3.14Å; D229-D231 VanDerWaalsContact O-N 3.07Å; D229-D231 PolarHBondContact OD1-N 2.63Å; D231-N233 PolarHBondContact O-N 3.03Å
232Y62.1Low55.5Low182 Ų182132.4 Ų132.471%0.71474%0.735SS**  trans-8093.4177.5-170.1-102.5000111.8D229 P234D229-Y232 PolarHBondContact O-N 3.09Å; D229-Y232 VanDerWaalsContact O-N 3.14Å; Y232-P234 HydrophobicContact CE1-CB 4.17Å; Y232-P234 WeakPolarHBondContact O-CD 3.07Å
233N66.8Low54.8Low97 Ų97135.2 Ų135.252%0.51976%0.756SS.*  trans-99.3104.7170.8-176.717.1000111.1D231 A235 D236D231-N233 PolarHBondContact O-N 3.03Å; N233-A235 PolarHBondContact O-N 3.4Å; N233-A235 WeakPolarHBondContact OD1-CB 3.17Å; N233-A235 PolarHBondContact OD1-N 3.46Å; N233-D236 PolarHBondContact O-N 3.21Å
234P62.2Low54.8Low108 Ų108134.1 Ų134.170%0.70175%0.753SS**THydrogen-bonded Turntrans-66.6-1.6-179.526.8-34.6000114.3Y232Y232-P234 HydrophobicContact CE1-CB 4.17Å; Y232-P234 WeakPolarHBondContact O-CD 3.07Å
235A62.5Low54.9Low82 Ų82132.6 Ų132.668%0.67875%0.752SS**THydrogen-bonded Turntrans-97-2.4177.600000114.7N233N233-A235 PolarHBondContact O-N 3.4Å; N233-A235 WeakPolarHBondContact OD1-CB 3.17Å; N233-A235 PolarHBondContact OD1-N 3.46Å
236D56.2Low55.1Low80 Ų80132.4 Ų132.443%0.42875%0.754SS.*  trans-126.791.7-177.8-160.7-11.1000112.7N233 E238N233-D236 PolarHBondContact O-N 3.21Å; D236-E238 PolarHBondContact O-N 2.99Å; D236-E238 PolarHBondContact OD1-N 3.29Å; D236-E238 VanDerWaalsContact OD1-N 3.09Å
237P56.4Low55.3Low126 Ų126132.4 Ų132.482%0.81876%0.756SS**THydrogen-bonded Turntrans-76.49.9174.731.7-34.4000114.1
238E53.6Low55.4Low163 Ų163130.3 Ų130.376%0.76276%0.755SS**THydrogen-bonded Turntrans-109.28.5-177.7-70.8-167.1110.800115.1D236 D240D236-E238 PolarHBondContact O-N 2.99Å; D236-E238 PolarHBondContact OD1-N 3.29Å; D236-E238 VanDerWaalsContact OD1-N 3.09Å; E238-D240 VanDerWaalsContact C-N 3.28Å; E238-D240 PolarHBondContact O-N 3.21Å
239S54.5Low55.7Low106 Ų106128.6 Ų128.674%0.74175%0.75SS**THydrogen-bonded Turntrans-74.9-7-178.552.90000115.7S241S239-S241 PolarHBondContact O-N 3Å
240D53.2Low55.5Low160 Ų160130.9 Ų130.986%0.85677%0.767SS**THydrogen-bonded Turntrans-97.833.2-179.5-151.716.9000113.4E238E238-D240 VanDerWaalsContact C-N 3.28Å; E238-D240 PolarHBondContact O-N 3.21Å
241S43.4Very low55Low111 Ų111130.9 Ų130.978%0.77676%0.761SS**  trans-141.870.8179.3-67.60000112.5S239S239-S241 PolarHBondContact O-N 3Å
242A40.6Very low54.3Low101 Ų101129.5 Ų129.584%0.83576%0.758SS**  trans-145.173.9159.100000111
243D39.7Very low53.5Low238 Ų238124.7 Ų124.7100%1.27376%0.762SS**  -169.40125.4-156.9-122.8000110.3

Retrieved 243 of 243 residues in 106.4 ms (Link to these results)

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