A0A087YLE6_POEFO Loading...

Protein phosphatase 6 regulatory subunit 2

AlphaFold DB , UniProt , Accession A0A087YLE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 924 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
1M43.9Very low46.1Very low220 Ų220129.2 Ų129.2100%1.08462%0.623SS**  0119.90-95.7-94.5-87.600105.8
2F40.1Very low48.8Very low161 Ų161127 Ų12771%0.70661%0.611SS**  trans60.4124.4-170.1-58.9-90.2000113.7
3W45Very low51.5Low197 Ų197117.4 Ų117.475%0.74657%0.565SS**  cis-121.4130.40.2-6873.3000109.9F5W3-F5 HydrophobicContact CD2-CD2 4.49Å; W3-F5 AromaticContact CE3-CD2 3.43Å; W3-F5 HydrophobicContact CE3-CD2 3.43Å; W3-F5 VanDerWaalsContact CE3-CD2 3.43Å; W3-F5 AromaticContact CE3-CE2 3.49Å; W3-F5 HydrophobicContact CE3-CE2 3.49Å; W3-F5 VanDerWaalsContact CE3-CE2 3.49Å; W3-F5 HydrophobicContact CE3-CG 4.09Å; W3-F5 HydrophobicContact CE3-CZ 4.21Å; W3-F5 AromaticContact CZ3-CD2 3.9Å; W3-F5 HydrophobicContact CZ3-CD2 3.9Å; W3-F5 HydrophobicContact CZ3-CE1 4.39Å; W3-F5 AromaticContact CZ3-CE2 3.51Å; W3-F5 HydrophobicContact CZ3-CE2 3.51Å; W3-F5 HydrophobicContact CZ3-CG 4.48Å; W3-F5 AromaticContact CZ3-CZ 3.8Å; W3-F5 HydrophobicContact CZ3-CZ 3.8Å
4K38.3Very low53.7Low163 Ų163113 Ų11371%0.70954%0.543SS*.  trans-127.681.5161.1-141.6-174.2-176-68.20106.7D6K4-D6 WeakPolarHBondContact CD-OD2 3.34Å; K4-D6 WeakPolarHBondContact CG-OD2 3.49Å; K4-D6 IonicContact NZ-OD1 3.22Å; K4-D6 PolarHBondContact NZ-OD1 2.69Å; K4-D6 IonicContact NZ-OD2 3.94Å; K4-D6 PolarHBondContact NZ-OD2 3.45Å; K4-D6 PolarHBondContact O-N 2.96Å
5F42.3Very low55.7Low138 Ų138108.9 Ų108.961%0.60554%0.536SS*.  trans-91.766.4175.1-98.8-119.4000108.2W3 L7W3-F5 HydrophobicContact CD2-CD2 4.49Å; W3-F5 AromaticContact CE3-CD2 3.43Å; W3-F5 HydrophobicContact CE3-CD2 3.43Å; W3-F5 VanDerWaalsContact CE3-CD2 3.43Å; W3-F5 AromaticContact CE3-CE2 3.49Å; W3-F5 HydrophobicContact CE3-CE2 3.49Å; W3-F5 VanDerWaalsContact CE3-CE2 3.49Å; W3-F5 HydrophobicContact CE3-CG 4.09Å; W3-F5 HydrophobicContact CE3-CZ 4.21Å; W3-F5 AromaticContact CZ3-CD2 3.9Å; W3-F5 HydrophobicContact CZ3-CD2 3.9Å; W3-F5 HydrophobicContact CZ3-CE1 4.39Å; W3-F5 AromaticContact CZ3-CE2 3.51Å; W3-F5 HydrophobicContact CZ3-CE2 3.51Å; W3-F5 HydrophobicContact CZ3-CG 4.48Å; W3-F5 AromaticContact CZ3-CZ 3.8Å; W3-F5 HydrophobicContact CZ3-CZ 3.8Å; F5-L7 HydrophobicContact CD1-CD1 3.63Å; F5-L7 HydrophobicContact CD1-CG 3.79Å; F5-L7 HydrophobicContact CE1-CD1 4.02Å; F5-L7 HydrophobicContact CE1-CG 4.35Å; F5-L7 PolarHBondContact O-N 2.64Å
6D41.8Very low57.6Low103 Ų103102.8 Ų102.855%0.55151%0.506SS*.  trans-71.769.6160.2-49.1-57.4000107K4K4-D6 WeakPolarHBondContact CD-OD2 3.34Å; K4-D6 WeakPolarHBondContact CG-OD2 3.49Å; K4-D6 IonicContact NZ-OD1 3.22Å; K4-D6 PolarHBondContact NZ-OD1 2.69Å; K4-D6 IonicContact NZ-OD2 3.94Å; K4-D6 PolarHBondContact NZ-OD2 3.45Å; K4-D6 PolarHBondContact O-N 2.96Å
7L42.1Very low59.3Low127 Ų12798 Ų9867%0.66548%0.483SS*.  trans-75127177.8-91.4179.2000109.5F5 T9F5-L7 HydrophobicContact CD1-CD1 3.63Å; F5-L7 HydrophobicContact CD1-CG 3.79Å; F5-L7 HydrophobicContact CE1-CD1 4.02Å; F5-L7 HydrophobicContact CE1-CG 4.35Å; F5-L7 PolarHBondContact O-N 2.64Å; L7-T9 VanDerWaalsContact C-N 3.35Å; L7-T9 PolarHBondContact O-N 2.83Å
8H45.7Very low60.7Low141 Ų14198.8 Ų98.865%0.65349%0.489SS*.  trans-75.768.6-167.1-61.4-76.2000114.7S11H8-S11 PolarHBondContact O-N 2.82Å; H8-S11 PolarHBondContact O-OG 2.79Å
9T48.8Very low62.1Low66 Ų6697.9 Ų97.941%0.40548%0.482SS..SBendtrans-65.3-43.6165.350.50000111.5L7 S11 H12 D32L7-T9 VanDerWaalsContact C-N 3.35Å; L7-T9 PolarHBondContact O-N 2.83Å; T9-S11 PolarHBondContact O-N 2.87Å; T9-H12 PolarHBondContact O-N 2.86Å; T9-D32 WeakPolarHBondContact CB-OD1 3.42Å; T9-D32 WeakPolarHBondContact CB-OD2 3.5Å; T9-D32 VanDerWaalsContact OG1-CG 3.26Å; T9-D32 PolarHBondContact OG1-OD1 3.21Å
10S54.9Low62.8Low38 Ų38103.4 Ų103.427%0.26651%0.507SS..Hα-helixtrans-53-20.817563.70000114.9H12 E14 E36S10-H12 VanDerWaalsContact C-N 3.31Å; S10-H12 PolarHBondContact O-N 3.45Å; S10-E14 WeakPolarHBondContact O-CB 3.37Å; S10-E14 WeakPolarHBondContact O-CG 3.35Å; S10-E14 PolarHBondContact O-N 3.34Å; S10-E36 VanDerWaalsContact CB-OE1 3.26Å; S10-E36 WeakPolarHBondContact CB-OE1 3.12Å
11S64.4Low63.8Low67 Ų67104.7 Ų104.747%0.46952%0.516SS..Hα-helixtrans-67.1-27.1175.570.10000114.1H8 T9 A15H8-S11 PolarHBondContact O-N 2.82Å; H8-S11 PolarHBondContact O-OG 2.79Å; T9-S11 PolarHBondContact O-N 2.87Å; S11-A15 VanDerWaalsContact O-CB 3.24Å; S11-A15 WeakPolarHBondContact O-CB 3.26Å; S11-A15 PolarHBondContact O-N 2.74Å; S11-A15 VanDerWaalsContact O-N 3.14Å
12H78.3Confident66Low103 Ų10395.1 Ų95.148%0.47747%0.47SS..Hα-helixtrans-78.6-43.9177.1-164.3-113000111T9 S10 A15 L16 E30T9-H12 PolarHBondContact O-N 2.86Å; S10-H12 VanDerWaalsContact C-N 3.31Å; S10-H12 PolarHBondContact O-N 3.45Å; H12-A15 CarbonylContact O-C 3.56Å; H12-A15 PolarHBondContact O-N 2.71Å; H12-A15 VanDerWaalsContact O-N 3.14Å; H12-L16 WeakPolarHBondContact O-CG 3.47Å; H12-L16 PolarHBondContact O-N 2.97Å; H12-E30 IonicContact CE1-OE1 3.15Å; H12-E30 PolarHBondContact CE1-OE1 3.42Å; H12-E30 IonicContact CE1-OE2 2.7Å; H12-E30 IonicContact CG-OE2 3.17Å; H12-E30 IonicContact ND1-OE1 2.73Å; H12-E30 PolarHBondContact ND1-OE1 2.77Å; H12-E30 IonicContact ND1-OE2 3.83Å; H12-E30 PolarHBondContact ND1-OE2 2.98Å
13L83.9Confident68.4Low2 Ų290.5 Ų90.51%0.0145%0.454CS..Hα-helixtrans-64.1-39.9175.1-175.6138.7000112.4L16 L17 L27 V33 E36 L44L13-L16 PolarHBondContact O-N 3.32Å; L13-L17 HydrophobicContact CD2-CD1 3.64Å; L13-L17 HydrophobicContact CG-CD1 4.41Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.72Å; L13-L27 HydrophobicContact CG-CD2 4.31Å; L13-V33 HydrophobicContact CD1-CB 4.22Å; L13-V33 HydrophobicContact CD1-CG2 4.23Å; L13-E36 HydrophobicContact CD1-CB 4.46Å; L13-E36 HydrophobicContact CD2-CB 4.3Å; L13-E36 HydrophobicContact CD2-CG 4.29Å; L13-L44 HydrophobicContact CD1-CD1 4.25Å; L13-L44 HydrophobicContact CD1-CD2 4.12Å; L13-L44 HydrophobicContact CD2-CB 4.35Å; L13-L44 HydrophobicContact CD2-CD1 4.24Å; L13-L44 HydrophobicContact CD2-CD2 4.13Å; L13-L44 HydrophobicContact CD2-CG 4.48Å
14E82.4Confident70.6Confident56 Ų5682 Ų8226%0.26242%0.424SS..Hα-helixtrans-62.6-40.4170-77.8-71.7141.600112.4S10 L16 L17 D18 N41 R43S10-E14 WeakPolarHBondContact O-CB 3.37Å; S10-E14 WeakPolarHBondContact O-CG 3.35Å; S10-E14 PolarHBondContact O-N 3.34Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.59Å; E14-L17 CarbonylContact O-C 3.52Å; E14-L17 PolarHBondContact O-N 2.85Å; E14-D18 PolarHBondContact O-N 2.99Å; E14-N41 PolarHBondContact OE1-ND2 2.86Å; E14-N41 PolarHBondContact OE1-OD1 3.47Å; E14-R43 WeakPolarHBondContact OE2-CD 3.1Å; E14-R43 IonicContact OE2-CZ 3.65Å; E14-R43 IonicContact OE2-NE 3.02Å; E14-R43 IonicContact OE2-NH1 3.21Å; E14-R43 PolarHBondContact OE2-NH1 2.9Å
15A83.3Confident73Confident52 Ų5277.6 Ų77.643%0.4341%0.41SS..Hα-helixtrans-70.2-25.117700000113.5S11 H12S11-A15 VanDerWaalsContact O-CB 3.24Å; S11-A15 WeakPolarHBondContact O-CB 3.26Å; S11-A15 PolarHBondContact O-N 2.74Å; S11-A15 VanDerWaalsContact O-N 3.14Å; H12-A15 CarbonylContact O-C 3.56Å; H12-A15 PolarHBondContact O-N 2.71Å; H12-A15 VanDerWaalsContact O-N 3.14Å
16L86.4Confident75.3Confident11 Ų1174 Ų746%0.05840%0.396CS..Hα-helixtrans-71.1-44.9166.4-70.9179000111H12 L13 E14 D18 K19 V22 L27 E30H12-L16 WeakPolarHBondContact O-CG 3.47Å; H12-L16 PolarHBondContact O-N 2.97Å; L13-L16 PolarHBondContact O-N 3.32Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.59Å; L16-D18 PolarHBondContact O-N 3.04Å; L16-K19 HydrophobicContact CD2-CD 4.15Å; L16-K19 WeakPolarHBondContact O-CB 3.46Å; L16-K19 PolarHBondContact O-N 3.41Å; L16-V22 HydrophobicContact CB-CG2 4.17Å; L16-V22 WeakPolarHBondContact O-CB 3.3Å; L16-L27 HydrophobicContact CB-CD2 3.94Å; L16-L27 HydrophobicContact CD1-CD2 4.15Å; L16-E30 HydrophobicContact CD1-CG 3.58Å; L16-E30 WeakPolarHBondContact CD1-OE1 3.48Å
17L86.4Confident77.6Confident21 Ų2169.1 Ų69.111%0.1137%0.369CS..Hα-helixtrans-68.3-9.6177.2-67.4167.7000114L13 E14 L27 R43 L44 F47L13-L17 HydrophobicContact CD2-CD1 3.64Å; L13-L17 HydrophobicContact CG-CD1 4.41Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 2.72Å; E14-L17 CarbonylContact O-C 3.52Å; E14-L17 PolarHBondContact O-N 2.85Å; L17-L27 HydrophobicContact CD2-CD1 3.91Å; L17-L27 HydrophobicContact CD2-CD2 4.14Å; L17-L27 HydrophobicContact CG-CD2 4.18Å; L17-R43 HydrophobicContact CD1-CB 3.84Å; L17-R43 PolarHBondContact O-NH2 3.2Å; L17-L44 HydrophobicContact CD1-CB 4.09Å; L17-L44 HydrophobicContact CD1-CD1 4.38Å; L17-F47 HydrophobicContact CD2-CB 3.96Å; L17-F47 HydrophobicContact CD2-CD2 4.48Å; L17-F47 HydrophobicContact CD2-CG 4.25Å
18D84.8Confident79.9Confident112 Ų11263.1 Ų63.160%0.59934%0.338SS*.THydrogen-bonded Turntrans-83.7-13.5168.8-82.3-12000113.7E14 L16 R43E14-D18 PolarHBondContact O-N 2.99Å; L16-D18 PolarHBondContact O-N 3.04Å; D18-R43 IonicContact OD1-CZ 3.32Å; D18-R43 IonicContact OD1-NH1 2.83Å; D18-R43 PolarHBondContact OD1-NH1 3.29Å; D18-R43 IonicContact OD1-NH2 2.81Å; D18-R43 PolarHBondContact OD1-NH2 3.34Å
19K86.9Confident82.1Confident83 Ų8359.1 Ų59.136%0.36132%0.321SS..SBendtrans-75.8142.5174.8-62.5170170171.10111L16 D21 V22 E26L16-K19 HydrophobicContact CD2-CD 4.15Å; L16-K19 WeakPolarHBondContact O-CB 3.46Å; L16-K19 PolarHBondContact O-N 3.41Å; K19-D21 VanDerWaalsContact C-N 3.28Å; K19-D21 PolarHBondContact O-N 3.29Å; K19-V22 HydrophobicContact CB-CB 4.14Å; K19-V22 HydrophobicContact CD-CB 4.42Å; K19-E26 IonicContact NZ-OE1 3.16Å; K19-E26 PolarHBondContact NZ-OE1 3.19Å
20E75.9Confident84.1Confident207 Ų20758 Ų5897%0.96731%0.312SS*.THydrogen-bonded Turntrans-73.5-18.6174-63.9-172.8167.400113.3
21D84Confident85.7Confident130 Ų13065.1 Ų65.170%0.69534%0.341SS*.THydrogen-bonded Turntrans-120.517.7-172.462.3-25.3000114.5K19 T23K19-D21 VanDerWaalsContact C-N 3.28Å; K19-D21 PolarHBondContact O-N 3.29Å; D21-T23 PolarHBondContact O-N 3.44Å
22V90.1Very high86.9Confident20 Ų2063.4 Ų63.412%0.12133%0.326CS..  trans-58.8131.8179.760.10000112.8L16 K19 L27 F47L16-V22 HydrophobicContact CB-CG2 4.17Å; L16-V22 WeakPolarHBondContact O-CB 3.3Å; K19-V22 HydrophobicContact CB-CB 4.14Å; K19-V22 HydrophobicContact CD-CB 4.42Å; V22-L27 HydrophobicContact CG2-CD1 4.17Å; V22-L27 HydrophobicContact CG2-CD2 4.13Å; V22-L27 HydrophobicContact CG2-CG 3.88Å; V22-F47 HydrophobicContact CG1-CD2 4.23Å; V22-F47 HydrophobicContact CG1-CE2 3.8Å
23T90.5Very high87.6Confident63 Ų6358.6 Ų58.639%0.38730%0.304SS..  trans-97.6153.9-179.763.40000112.6D21 T25 E26 L27D21-T23 PolarHBondContact O-N 3.44Å; T23-T25 PolarHBondContact O-N 3.13Å; T23-E26 WeakPolarHBondContact CB-OE2 3.38Å; T23-E26 PolarHBondContact N-OE2 2.99Å; T23-E26 PolarHBondContact O-N 3.21Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.47Å; T23-E26 PolarHBondContact OG1-N 3.02Å; T23-E26 PolarHBondContact OG1-OE2 3.46Å; T23-L27 PolarHBondContact O-N 3.11Å
24L90.9Very high88Confident19 Ų1960.7 Ų60.710%0.09932%0.315CS..Hα-helixtrans-57.3-38.4171.2177.862.2000111.6L27 M28 F47 F48 E56 L57L24-L27 PolarHBondContact O-N 3.43Å; L24-M28 HydrophobicContact CD1-CG 4Å; L24-M28 HydrophobicContact CD1-SD 3.89Å; L24-M28 HydrophobicContact CD2-SD 4.14Å; L24-M28 HydrophobicContact CG-CG 4.24Å; L24-M28 HydrophobicContact CG-SD 3.69Å; L24-M28 WeakPolarHBondContact O-CB 3.48Å; L24-M28 VanDerWaalsContact O-CG 3.28Å; L24-M28 WeakPolarHBondContact O-CG 3.17Å; L24-M28 PolarHBondContact O-N 3.19Å; L24-F47 HydrophobicContact CB-CE1 4.34Å; L24-F47 HydrophobicContact CD1-CE1 4.43Å; L24-F48 HydrophobicContact CD1-CD1 3.83Å; L24-F48 HydrophobicContact CD1-CE1 3.61Å; L24-E56 HydrophobicContact CD2-CB 3.86Å; L24-E56 HydrophobicContact CD2-CG 3.73Å; L24-L57 HydrophobicContact CD1-CD2 4.26Å; L24-L57 HydrophobicContact CD1-CG 4.43Å; L24-L57 HydrophobicContact CD2-CD2 4.17Å; L24-L57 HydrophobicContact CD2-CG 4.01Å
25T89.3Confident88.5Confident70 Ų7064.2 Ų64.243%0.42933%0.331SS..Hα-helixtrans-64.8-39.7179.2-46.50000112.7T23 M28 D29 Y77T23-T25 PolarHBondContact O-N 3.13Å; T25-M28 PolarHBondContact O-N 3.01Å; T25-D29 PolarHBondContact O-N 2.74Å; T25-Y77 HydrophobicContact CG2-CE1 3.97Å; T25-Y77 HydrophobicContact CG2-CE2 4.13Å; T25-Y77 WeakPolarHBondContact CG2-OH 3.4Å
26E90Very high88.8Confident63 Ų6363.2 Ų63.229%0.29432%0.318SS..Hα-helixtrans-60.7-48.4173.8-77.6164.6109.800111.1K19 T23 M28 D29K19-E26 IonicContact NZ-OE1 3.16Å; K19-E26 PolarHBondContact NZ-OE1 3.19Å; T23-E26 WeakPolarHBondContact CB-OE2 3.38Å; T23-E26 PolarHBondContact N-OE2 2.99Å; T23-E26 PolarHBondContact O-N 3.21Å; T23-E26 VanDerWaalsContact OG1-CG 3.3Å; T23-E26 WeakPolarHBondContact OG1-CG 3.47Å; T23-E26 PolarHBondContact OG1-N 3.02Å; T23-E26 PolarHBondContact OG1-OE2 3.46Å; E26-M28 VanDerWaalsContact C-N 3.33Å; E26-M28 PolarHBondContact O-N 2.88Å; E26-D29 PolarHBondContact O-N 3.14Å; E26-D29 VanDerWaalsContact O-N 3.11Å
27L91.1Very high89.1Confident0 Ų062.7 Ų62.70%032%0.315CS..Hα-helixtrans-64.5-36.5178.9-65.8172.3000112.4L13 L16 L17 V22 T23 L24 D29 E30 V33 L44 F47 F48L13-L27 HydrophobicContact CG-CD2 4.31Å; L16-L27 HydrophobicContact CB-CD2 3.94Å; L16-L27 HydrophobicContact CD1-CD2 4.15Å; L17-L27 HydrophobicContact CD2-CD1 3.91Å; L17-L27 HydrophobicContact CD2-CD2 4.14Å; L17-L27 HydrophobicContact CG-CD2 4.18Å; V22-L27 HydrophobicContact CG2-CD1 4.17Å; V22-L27 HydrophobicContact CG2-CD2 4.13Å; V22-L27 HydrophobicContact CG2-CG 3.88Å; T23-L27 PolarHBondContact O-N 3.11Å; L24-L27 PolarHBondContact O-N 3.43Å; L27-D29 VanDerWaalsContact C-N 3.25Å; L27-D29 PolarHBondContact O-N 3.33Å; L27-E30 PolarHBondContact O-N 2.81Å; L27-V33 VanDerWaalsContact O-CB 3.3Å; L27-V33 WeakPolarHBondContact O-CB 3.49Å; L27-V33 WeakPolarHBondContact O-CG2 3.24Å; L27-L44 HydrophobicContact CD1-CD1 4.18Å; L27-L44 HydrophobicContact CD2-CD1 4.44Å; L27-F47 HydrophobicContact CD1-CD1 3.39Å; L27-F47 HydrophobicContact CD1-CD2 4.44Å; L27-F47 HydrophobicContact CD1-CE1 3.51Å; L27-F47 HydrophobicContact CD1-CG 3.9Å; L27-F47 HydrophobicContact CD1-CZ 4.1Å; L27-F48 HydrophobicContact CB-CE1 4.41Å; L27-F48 HydrophobicContact CD1-CE1 4.36Å
28M90.8Very high89.4Confident2 Ų267.5 Ų67.51%0.0134%0.335CS..Hα-helixtrans-75.7-8.4175.3-69.6178.875.300114.1L24 T25 E26 L57 L60 K76 Y77 I80 A81 L84L24-M28 HydrophobicContact CD1-CG 4Å; L24-M28 HydrophobicContact CD1-SD 3.89Å; L24-M28 HydrophobicContact CD2-SD 4.14Å; L24-M28 HydrophobicContact CG-CG 4.24Å; L24-M28 HydrophobicContact CG-SD 3.69Å; L24-M28 WeakPolarHBondContact O-CB 3.48Å; L24-M28 VanDerWaalsContact O-CG 3.28Å; L24-M28 WeakPolarHBondContact O-CG 3.17Å; L24-M28 PolarHBondContact O-N 3.19Å; T25-M28 PolarHBondContact O-N 3.01Å; E26-M28 VanDerWaalsContact C-N 3.33Å; E26-M28 PolarHBondContact O-N 2.88Å; M28-L57 HydrophobicContact CE-CD2 4.29Å; M28-L57 HydrophobicContact SD-CD2 4.01Å; M28-L60 HydrophobicContact CE-CD1 4.01Å; M28-L60 HydrophobicContact SD-CD1 4Å; M28-K76 WeakPolarHBondContact O-CE 3.4Å; M28-Y77 HydrophobicContact CB-CD1 4.15Å; M28-Y77 HydrophobicContact CB-CE1 4.43Å; M28-Y77 HydrophobicContact CE-CD1 4.4Å; M28-Y77 WeakPolarHBondContact CE-O 3.28Å; M28-I80 HydrophobicContact CB-CG2 4.37Å; M28-I80 HydrophobicContact CE-CB 3.84Å; M28-I80 HydrophobicContact CE-CG2 3.76Å; M28-I80 HydrophobicContact CG-CG2 4.22Å; M28-I80 WeakPolarHBondContact O-CD1 3.42Å; M28-A81 HydrophobicContact CE-CB 3.89Å; M28-L84 HydrophobicContact CG-CD1 4.35Å
29D90.6Very high89.7Confident56 Ų5665.6 Ų65.630%0.29934%0.335SS..Hα-helixtrans-88.5-20.3173.3-94.7-37.9000113.3T25 E26 L27 K73 K76 Y77T25-D29 PolarHBondContact O-N 2.74Å; E26-D29 PolarHBondContact O-N 3.14Å; E26-D29 VanDerWaalsContact O-N 3.11Å; L27-D29 VanDerWaalsContact C-N 3.25Å; L27-D29 PolarHBondContact O-N 3.33Å; D29-K73 IonicContact OD2-NZ 3.86Å; D29-K76 PolarHBondContact O-NZ 3.14Å; D29-K76 VanDerWaalsContact O-NZ 3.13Å; D29-K76 IonicContact OD1-NZ 3.77Å; D29-K76 PolarHBondContact OD1-NZ 2.99Å; D29-Y77 VanDerWaalsContact CG-OH 3.3Å; D29-Y77 PolarHBondContact OD1-OH 2.68Å; D29-Y77 PolarHBondContact OD2-OH 3.1Å
30E91.5Very high90Very high43 Ų4366.9 Ų66.920%0.20134%0.343CS..SBendtrans-66.4141.3173.9-60.9-67.1125.700113.1H12 L16 L27 V33H12-E30 IonicContact CE1-OE1 3.15Å; H12-E30 PolarHBondContact CE1-OE1 3.42Å; H12-E30 IonicContact CE1-OE2 2.7Å; H12-E30 IonicContact CG-OE2 3.17Å; H12-E30 IonicContact ND1-OE1 2.73Å; H12-E30 PolarHBondContact ND1-OE1 2.77Å; H12-E30 IonicContact ND1-OE2 3.83Å; H12-E30 PolarHBondContact ND1-OE2 2.98Å; L16-E30 HydrophobicContact CD1-CG 3.58Å; L16-E30 WeakPolarHBondContact CD1-OE1 3.48Å; L27-E30 PolarHBondContact O-N 2.81Å; E30-V33 HydrophobicContact CB-CB 4.45Å; E30-V33 VanDerWaalsContact O-CG1 3.32Å; E30-V33 WeakPolarHBondContact O-CG1 3.21Å
31E87.4Confident90.7Very high188 Ų18858.1 Ų58.188%0.87930%0.302SS*.THydrogen-bonded Turntrans-71.4-42.7-175.8-60.9-175168.600112.3V33E31-V33 VanDerWaalsContact C-N 3.28Å; E31-V33 PolarHBondContact O-N 2.7Å
32D90.3Very high91Very high31 Ų3162.4 Ų62.417%0.16631%0.309CS..THydrogen-bonded Turntrans-78.8-0.3-176.8-57.5-112.3000114.7T9 L34 Q35 E36T9-D32 WeakPolarHBondContact CB-OD1 3.42Å; T9-D32 WeakPolarHBondContact CB-OD2 3.5Å; T9-D32 VanDerWaalsContact OG1-CG 3.26Å; T9-D32 PolarHBondContact OG1-OD1 3.21Å; D32-L34 VanDerWaalsContact C-N 3.28Å; D32-L34 PolarHBondContact O-N 2.73Å; D32-Q35 CarbonylContact O-C 3.58Å; D32-Q35 WeakPolarHBondContact O-CA 3.29Å; D32-Q35 WeakPolarHBondContact O-CB 3.28Å; D32-Q35 PolarHBondContact O-N 3.46Å; D32-E36 HydrophobicContact CB-CG 4.46Å; D32-E36 PolarHBondContact O-N 3.48Å
33V92.9Very high91.1Very high1 Ų165.6 Ų65.61%0.00632%0.319CS..Hα-helixtrans-56.8-39-170.968.70000113.3L13 L27 E30 E31 C37 L44 F48 I80L13-V33 HydrophobicContact CD1-CB 4.22Å; L13-V33 HydrophobicContact CD1-CG2 4.23Å; L27-V33 VanDerWaalsContact O-CB 3.3Å; L27-V33 WeakPolarHBondContact O-CB 3.49Å; L27-V33 WeakPolarHBondContact O-CG2 3.24Å; E30-V33 HydrophobicContact CB-CB 4.45Å; E30-V33 VanDerWaalsContact O-CG1 3.32Å; E30-V33 WeakPolarHBondContact O-CG1 3.21Å; E31-V33 VanDerWaalsContact C-N 3.28Å; E31-V33 PolarHBondContact O-N 2.7Å; V33-C37 WeakPolarHBondContact O-CB 3.32Å; V33-C37 PolarHBondContact O-N 2.68Å; V33-C37 VanDerWaalsContact O-N 3.07Å; V33-L44 HydrophobicContact CG2-CD1 4.49Å; V33-L44 HydrophobicContact CG2-CD2 4.37Å; V33-F48 HydrophobicContact CG2-CE2 4.21Å; V33-F48 HydrophobicContact CG2-CZ 3.64Å; V33-I80 HydrophobicContact CG1-CG2 4.27Å
34L92.6Very high91.2Very high46 Ų4662.6 Ų62.624%0.24130%0.3CS..Hα-helixtrans-70.8-34.9176.1-65.4178.6000111.8D32 K38 I80 E83 L84D32-L34 VanDerWaalsContact C-N 3.28Å; D32-L34 PolarHBondContact O-N 2.73Å; L34-K38 WeakPolarHBondContact O-CB 3.22Å; L34-K38 VanDerWaalsContact O-CG 3.3Å; L34-K38 WeakPolarHBondContact O-CG 3.48Å; L34-K38 PolarHBondContact O-N 3.28Å; L34-I80 HydrophobicContact CD2-CG2 4.18Å; L34-E83 HydrophobicContact CD1-CB 4.1Å; L34-E83 HydrophobicContact CD2-CB 3.75Å; L34-L84 HydrophobicContact CD2-CD2 3.77Å; L34-L84 HydrophobicContact CD2-CG 3.77Å
35Q91.7Very high91.3Very high130 Ų13062.3 Ų62.361%0.60730%0.298SS*.Hα-helixtrans-72.9-46.5179.5-175174.5-58.400111.4D32 C37 K38 A39D32-Q35 CarbonylContact O-C 3.58Å; D32-Q35 WeakPolarHBondContact O-CA 3.29Å; D32-Q35 WeakPolarHBondContact O-CB 3.28Å; D32-Q35 PolarHBondContact O-N 3.46Å; Q35-C37 VanDerWaalsContact C-N 3.28Å; Q35-C37 PolarHBondContact O-N 3.08Å; Q35-K38 PolarHBondContact O-N 3.34Å; Q35-A39 VanDerWaalsContact O-CB 3.22Å; Q35-A39 WeakPolarHBondContact O-CB 3.44Å; Q35-A39 PolarHBondContact O-N 2.91Å
36E90.8Very high91.4Very high32 Ų3266.1 Ų66.115%0.1531%0.311CS..Hα-helixtrans-63.9-33.1174.6-76.9-72.3130.900111.9S10 L13 D32 Q40 N41 L44S10-E36 VanDerWaalsContact CB-OE1 3.26Å; S10-E36 WeakPolarHBondContact CB-OE1 3.12Å; L13-E36 HydrophobicContact CD1-CB 4.46Å; L13-E36 HydrophobicContact CD2-CB 4.3Å; L13-E36 HydrophobicContact CD2-CG 4.29Å; D32-E36 HydrophobicContact CB-CG 4.46Å; D32-E36 PolarHBondContact O-N 3.48Å; E36-Q40 PolarHBondContact O-N 3.43Å; E36-N41 HydrophobicContact CB-CB 4.29Å; E36-N41 WeakPolarHBondContact O-CB 3.3Å; E36-N41 PolarHBondContact O-N 3.26Å; E36-N41 WeakPolarHBondContact OE2-CB 3.11Å; E36-N41 PolarHBondContact OE2-ND2 2.91Å; E36-L44 HydrophobicContact CB-CD2 3.76Å
37C92.9Very high91.6Very high0 Ų064.3 Ų64.30%030%0.303CS..Hα-helixtrans-67.3-49.5172.8-169.40000111.5V33 Q35 A39 Q40 L44 F48 L84 V89 I92V33-C37 WeakPolarHBondContact O-CB 3.32Å; V33-C37 PolarHBondContact O-N 2.68Å; V33-C37 VanDerWaalsContact O-N 3.07Å; Q35-C37 VanDerWaalsContact C-N 3.28Å; Q35-C37 PolarHBondContact O-N 3.08Å; C37-A39 VanDerWaalsContact C-N 3.3Å; C37-A39 PolarHBondContact O-N 3.48Å; C37-Q40 WeakPolarHBondContact O-CA 3.38Å; C37-Q40 PolarHBondContact O-N 2.95Å; C37-L44 HydrophobicContact CB-CD2 4.14Å; C37-F48 HydrophobicContact CB-CE2 4.38Å; C37-L84 HydrophobicContact CB-CD2 3.78Å; C37-V89 WeakPolarHBondContact O-CG2 3.3Å; C37-I92 VanDerWaalsContact SG-CD1 3.54Å
38K92Very high91.7Very high121 Ų12164.3 Ų64.353%0.52630%0.303SS..Hα-helixtrans-62.8-33.9175.4-72.8176.1-178.5-176.40112.3L34 Q35 Q40 C87L34-K38 WeakPolarHBondContact O-CB 3.22Å; L34-K38 VanDerWaalsContact O-CG 3.3Å; L34-K38 WeakPolarHBondContact O-CG 3.48Å; L34-K38 PolarHBondContact O-N 3.28Å; Q35-K38 PolarHBondContact O-N 3.34Å; K38-Q40 PolarHBondContact O-N 2.76Å; K38-C87 HydrophobicContact CG-CB 4.28Å
39A92.1Very high91.8Very high73 Ų7365.2 Ų65.260%0.60331%0.309SS*.THydrogen-bonded Turntrans-74.11.9171.400000114.1Q35 C37 N41Q35-A39 VanDerWaalsContact O-CB 3.22Å; Q35-A39 WeakPolarHBondContact O-CB 3.44Å; Q35-A39 PolarHBondContact O-N 2.91Å; C37-A39 VanDerWaalsContact C-N 3.3Å; C37-A39 PolarHBondContact O-N 3.48Å; A39-N41 PolarHBondContact O-N 2.61Å
40Q91.9Very high92Very high110 Ų11067 Ų6751%0.51432%0.316SS..THydrogen-bonded Turntrans59.141.3177.2-52-1747.700114.5E36 C37 K38 R42 L45 V89E36-Q40 PolarHBondContact O-N 3.43Å; C37-Q40 WeakPolarHBondContact O-CA 3.38Å; C37-Q40 PolarHBondContact O-N 2.95Å; K38-Q40 PolarHBondContact O-N 2.76Å; Q40-R42 PolarHBondContact O-N 2.89Å; Q40-L45 HydrophobicContact CB-CD1 3.98Å; Q40-V89 HydrophobicContact CG-CG1 4.44Å; Q40-V89 HydrophobicContact CG-CG2 4.47Å
41N91.3Very high92.1Very high22 Ų2269.2 Ų69.212%0.11833%0.329CS..  trans-54.7113.9172.5179.8-41.3000110E14 E36 A39 R43 L44 L45E14-N41 PolarHBondContact OE1-ND2 2.86Å; E14-N41 PolarHBondContact OE1-OD1 3.47Å; E36-N41 HydrophobicContact CB-CB 4.29Å; E36-N41 WeakPolarHBondContact O-CB 3.3Å; E36-N41 PolarHBondContact O-N 3.26Å; E36-N41 WeakPolarHBondContact OE2-CB 3.11Å; E36-N41 PolarHBondContact OE2-ND2 2.91Å; A39-N41 PolarHBondContact O-N 2.61Å; N41-R43 VanDerWaalsContact C-N 3.3Å; N41-R43 PolarHBondContact O-N 2.92Å; N41-R43 PolarHBondContact OD1-N 2.9Å; N41-L44 HydrophobicContact CB-CB 3.97Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-L44 PolarHBondContact OD1-N 2.76Å; N41-L45 WeakPolarHBondContact O-CG 3.21Å; N41-L45 PolarHBondContact O-N 3.5Å
42R90.8Very high92.4Very high220 Ų22068 Ų6883%0.8332%0.323SS*.Hα-helixtrans-61.1-33.2-172.2-76.7-179.1154.2-177.9-6.8114.1Q40 Q46Q40-R42 PolarHBondContact O-N 2.89Å; R42-Q46 VanDerWaalsContact O-CB 3.23Å; R42-Q46 WeakPolarHBondContact O-CB 3.39Å; R42-Q46 PolarHBondContact O-N 3.32Å
43R91.1Very high92.6Very high88 Ų8867 Ų6733%0.33232%0.319SS..Hα-helixtrans-75.3-44.1179.1-64.3-179.472.2172.66.8110.6E14 L17 D18 N41 Q46 F47E14-R43 WeakPolarHBondContact OE2-CD 3.1Å; E14-R43 IonicContact OE2-CZ 3.65Å; E14-R43 IonicContact OE2-NE 3.02Å; E14-R43 IonicContact OE2-NH1 3.21Å; E14-R43 PolarHBondContact OE2-NH1 2.9Å; L17-R43 HydrophobicContact CD1-CB 3.84Å; L17-R43 PolarHBondContact O-NH2 3.2Å; D18-R43 IonicContact OD1-CZ 3.32Å; D18-R43 IonicContact OD1-NH1 2.83Å; D18-R43 PolarHBondContact OD1-NH1 3.29Å; D18-R43 IonicContact OD1-NH2 2.81Å; D18-R43 PolarHBondContact OD1-NH2 3.34Å; N41-R43 VanDerWaalsContact C-N 3.3Å; N41-R43 PolarHBondContact O-N 2.92Å; N41-R43 PolarHBondContact OD1-N 2.9Å; R43-Q46 PolarHBondContact O-N 2.88Å; R43-F47 PolarHBondContact O-N 3.45Å
44L92.3Very high92.7Very high0 Ų067 Ų670%032%0.318CS..Hα-helixtrans-61.3-46.7176.5-172.461.4000111.2L13 L17 L27 V33 E36 C37 N41 Q46 F47 F48L13-L44 HydrophobicContact CD1-CD1 4.25Å; L13-L44 HydrophobicContact CD1-CD2 4.12Å; L13-L44 HydrophobicContact CD2-CB 4.35Å; L13-L44 HydrophobicContact CD2-CD1 4.24Å; L13-L44 HydrophobicContact CD2-CD2 4.13Å; L13-L44 HydrophobicContact CD2-CG 4.48Å; L17-L44 HydrophobicContact CD1-CB 4.09Å; L17-L44 HydrophobicContact CD1-CD1 4.38Å; L27-L44 HydrophobicContact CD1-CD1 4.18Å; L27-L44 HydrophobicContact CD2-CD1 4.44Å; V33-L44 HydrophobicContact CG2-CD1 4.49Å; V33-L44 HydrophobicContact CG2-CD2 4.37Å; E36-L44 HydrophobicContact CB-CD2 3.76Å; C37-L44 HydrophobicContact CB-CD2 4.14Å; N41-L44 HydrophobicContact CB-CB 3.97Å; N41-L44 PolarHBondContact O-N 3.32Å; N41-L44 PolarHBondContact OD1-N 2.76Å; L44-Q46 PolarHBondContact O-N 3.17Å; L44-F47 WeakPolarHBondContact O-CB 3.38Å; L44-F47 PolarHBondContact O-N 2.92Å; L44-F47 VanDerWaalsContact O-N 3.11Å; L44-F48 HydrophobicContact CD1-CD2 4.23Å; L44-F48 HydrophobicContact CD1-CE1 4.01Å; L44-F48 HydrophobicContact CD1-CE2 3.59Å; L44-F48 HydrophobicContact CD1-CZ 3.47Å; L44-F48 VanDerWaalsContact CD1-CZ 3.47Å; L44-F48 HydrophobicContact CD2-CE2 3.91Å; L44-F48 HydrophobicContact CD2-CZ 4.41Å; L44-F48 HydrophobicContact CG-CD2 3.96Å; L44-F48 HydrophobicContact CG-CE2 3.5Å; L44-F48 HydrophobicContact CG-CZ 3.96Å; L44-F48 PolarHBondContact O-N 3.46Å
45L93.1Very high92.8Very high12 Ų1269 Ų696%0.06333%0.326CS..Hα-helixtrans-63.2-39.3174.8-65.2-174000112.5Q40 N41 F47 F48 C49 V89 V91 I92Q40-L45 HydrophobicContact CB-CD1 3.98Å; N41-L45 WeakPolarHBondContact O-CG 3.21Å; N41-L45 PolarHBondContact O-N 3.5Å; L45-F47 VanDerWaalsContact C-N 3.26Å; L45-F47 PolarHBondContact O-N 3.27Å; L45-F48 PolarHBondContact O-N 3.15Å; L45-C49 VanDerWaalsContact O-CB 3.25Å; L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.39Å; L45-C49 PolarHBondContact O-SG 3.44Å; L45-V89 HydrophobicContact CD1-CG1 3.73Å; L45-V89 HydrophobicContact CD2-CG1 3.79Å; L45-V89 HydrophobicContact CG-CG1 4.43Å; L45-V91 HydrophobicContact CD1-CG2 4.5Å; L45-I92 HydrophobicContact CD2-CD1 3.76Å; L45-I92 HydrophobicContact CD2-CG1 4.17Å
46Q92.4Very high92.9Very high150 Ų15065.7 Ų65.770%0.70131%0.311SS*.Hα-helixtrans-65.7-28.1174.3-176.7175.8-4.500112.5R42 R43 L44 Q50R42-Q46 VanDerWaalsContact O-CB 3.23Å; R42-Q46 WeakPolarHBondContact O-CB 3.39Å; R42-Q46 PolarHBondContact O-N 3.32Å; R43-Q46 PolarHBondContact O-N 2.88Å; L44-Q46 PolarHBondContact O-N 3.17Å; Q46-Q50 WeakPolarHBondContact O-CG 3.36Å
47F93.8Very high93.2Very high25 Ų2564.2 Ų64.211%0.1131%0.305CS..Hα-helixtrans-76.1-50.7173-175.9-86.5000112.1L17 V22 L24 L27 R43 L44 L45 C49 Q50 C53L17-F47 HydrophobicContact CD2-CB 3.96Å; L17-F47 HydrophobicContact CD2-CD2 4.48Å; L17-F47 HydrophobicContact CD2-CG 4.25Å; V22-F47 HydrophobicContact CG1-CD2 4.23Å; V22-F47 HydrophobicContact CG1-CE2 3.8Å; L24-F47 HydrophobicContact CB-CE1 4.34Å; L24-F47 HydrophobicContact CD1-CE1 4.43Å; L27-F47 HydrophobicContact CD1-CD1 3.39Å; L27-F47 HydrophobicContact CD1-CD2 4.44Å; L27-F47 HydrophobicContact CD1-CE1 3.51Å; L27-F47 HydrophobicContact CD1-CG 3.9Å; L27-F47 HydrophobicContact CD1-CZ 4.1Å; R43-F47 PolarHBondContact O-N 3.45Å; L44-F47 WeakPolarHBondContact O-CB 3.38Å; L44-F47 PolarHBondContact O-N 2.92Å; L44-F47 VanDerWaalsContact O-N 3.11Å; L45-F47 VanDerWaalsContact C-N 3.26Å; L45-F47 PolarHBondContact O-N 3.27Å; F47-C49 VanDerWaalsContact C-N 3.34Å; F47-C49 PolarHBondContact O-N 3.4Å; F47-Q50 WeakPolarHBondContact O-CB 3.26Å; F47-Q50 VanDerWaalsContact O-CG 3.3Å; F47-Q50 WeakPolarHBondContact O-CG 3.38Å; F47-Q50 PolarHBondContact O-N 2.89Å; F47-C53 WeakPolarHBondContact CE1-SG 3.23Å; F47-C53 PolarHBondContact O-SG 3.48Å
48F93.6Very high93.3Very high0 Ų064.2 Ų64.20%031%0.305CS..Hα-helixtrans-63.8-37.3-179.7-68.2-28.9000112.7L24 L27 V33 C37 L44 L45 Q50 C53 M54 L84L24-F48 HydrophobicContact CD1-CD1 3.83Å; L24-F48 HydrophobicContact CD1-CE1 3.61Å; L27-F48 HydrophobicContact CB-CE1 4.41Å; L27-F48 HydrophobicContact CD1-CE1 4.36Å; V33-F48 HydrophobicContact CG2-CE2 4.21Å; V33-F48 HydrophobicContact CG2-CZ 3.64Å; C37-F48 HydrophobicContact CB-CE2 4.38Å; L44-F48 HydrophobicContact CD1-CD2 4.23Å; L44-F48 HydrophobicContact CD1-CE1 4.01Å; L44-F48 HydrophobicContact CD1-CE2 3.59Å; L44-F48 HydrophobicContact CD1-CZ 3.47Å; L44-F48 VanDerWaalsContact CD1-CZ 3.47Å; L44-F48 HydrophobicContact CD2-CE2 3.91Å; L44-F48 HydrophobicContact CD2-CZ 4.41Å; L44-F48 HydrophobicContact CG-CD2 3.96Å; L44-F48 HydrophobicContact CG-CE2 3.5Å; L44-F48 HydrophobicContact CG-CZ 3.96Å; L44-F48 PolarHBondContact O-N 3.46Å; L45-F48 PolarHBondContact O-N 3.15Å; F48-Q50 PolarHBondContact O-N 3.22Å; F48-Q50 VanDerWaalsContact O-N 3.1Å; F48-C53 WeakPolarHBondContact O-CB 3.29Å; F48-M54 VanDerWaalsContact O-CG 3.28Å; F48-M54 WeakPolarHBondContact O-CG 3.48Å; F48-M54 VanDerWaalsContact O-SD 3.34Å; F48-L84 HydrophobicContact CD2-CD2 4.22Å; F48-L84 HydrophobicContact CE1-CD1 4.33Å; F48-L84 HydrophobicContact CE2-CD1 4.01Å; F48-L84 HydrophobicContact CE2-CD2 3.57Å; F48-L84 HydrophobicContact CE2-CG 4.43Å; F48-L84 HydrophobicContact CZ-CD1 3.82Å; F48-L84 HydrophobicContact CZ-CD2 4.14Å
49C93.6Very high93.4Very high22 Ų2264 Ų6415%0.14930%0.3CS..THydrogen-bonded Turntrans-75.79.5178.9-60.40000114.4L45 F47 K95L45-C49 VanDerWaalsContact O-CB 3.25Å; L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.39Å; L45-C49 PolarHBondContact O-SG 3.44Å; F47-C49 VanDerWaalsContact C-N 3.34Å; F47-C49 PolarHBondContact O-N 3.4Å; C49-K95 HydrophobicContact CB-CG 4.3Å; C49-K95 WeakPolarHBondContact O-CE 3.25Å
50Q94.3Very high93.5Very high93 Ų9362 Ų6244%0.43528%0.279SS..SBendtrans-73.5142.4167.1-63.4179.730.800110.5Q46 F47 F48 Q52 C53 M54Q46-Q50 WeakPolarHBondContact O-CG 3.36Å; F47-Q50 WeakPolarHBondContact O-CB 3.26Å; F47-Q50 VanDerWaalsContact O-CG 3.3Å; F47-Q50 WeakPolarHBondContact O-CG 3.38Å; F47-Q50 PolarHBondContact O-N 2.89Å; F48-Q50 PolarHBondContact O-N 3.22Å; F48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-Q52 PolarHBondContact O-N 2.84Å; Q50-Q52 VanDerWaalsContact O-N 3.14Å; Q50-C53 HydrophobicContact CB-CB 4.36Å; Q50-C53 PolarHBondContact O-N 3.46Å; Q50-M54 PolarHBondContact O-N 2.89Å
51D93.1Very high93.6Very high90 Ų9056.8 Ų56.848%0.48126%0.255SS..Hα-helixtrans-53-41-174.7-52.3-3.6000112.9Q55 K95D51-Q55 WeakPolarHBondContact O-CB 3.14Å; D51-Q55 WeakPolarHBondContact O-CG 3.32Å; D51-Q55 PolarHBondContact O-N 3.48Å; D51-K95 IonicContact OD1-NZ 3.2Å; D51-K95 PolarHBondContact OD1-NZ 3.48Å
52Q93.3Very high93.7Very high161 Ų16156 Ų5675%0.75225%0.251SS*.Hα-helixtrans-69-41.1179.8-61.8-179.519.400111.9Q50 Q55 E56Q50-Q52 PolarHBondContact O-N 2.84Å; Q50-Q52 VanDerWaalsContact O-N 3.14Å; Q52-Q55 PolarHBondContact O-N 3.32Å; Q52-E56 WeakPolarHBondContact O-CB 3.21Å; Q52-E56 PolarHBondContact O-N 2.98Å
53C94.3Very high93.7Very high11 Ų1148.3 Ų48.37%0.07423%0.229CC..Hα-helixtrans-67.2-45.6179-59.10000111F47 F48 Q50 E56 L57F47-C53 WeakPolarHBondContact CE1-SG 3.23Å; F47-C53 PolarHBondContact O-SG 3.48Å; F48-C53 WeakPolarHBondContact O-CB 3.29Å; Q50-C53 HydrophobicContact CB-CB 4.36Å; Q50-C53 PolarHBondContact O-N 3.46Å; C53-E56 PolarHBondContact O-N 3.49Å; C53-L57 WeakPolarHBondContact O-CB 3.26Å; C53-L57 VanDerWaalsContact O-CG 3.3Å; C53-L57 WeakPolarHBondContact O-CG 3.45Å; C53-L57 PolarHBondContact O-N 2.97Å
54M95.4Very high93.5Very high0 Ų049.8 Ų49.80%024%0.239CC..Hα-helixtrans-62.6-42.5175.1-67.5-60.8-58.200112.5F48 Q50 E56 L57 V58 L85 I92 K95 L96 L102F48-M54 VanDerWaalsContact O-CG 3.28Å; F48-M54 WeakPolarHBondContact O-CG 3.48Å; F48-M54 VanDerWaalsContact O-SD 3.34Å; Q50-M54 PolarHBondContact O-N 2.89Å; M54-E56 VanDerWaalsContact C-N 3.34Å; M54-L57 PolarHBondContact O-N 3.02Å; M54-V58 WeakPolarHBondContact O-CG2 3.2Å; M54-V58 PolarHBondContact O-N 3.14Å; M54-L85 HydrophobicContact CE-CD2 3.8Å; M54-I92 HydrophobicContact CE-CG2 4.32Å; M54-K95 HydrophobicContact CE-CB 4.4Å; M54-K95 HydrophobicContact CE-CG 4.05Å; M54-K95 HydrophobicContact CG-CD 4.42Å; M54-K95 HydrophobicContact CG-CG 3.58Å; M54-K95 HydrophobicContact SD-CG 3.94Å; M54-L96 HydrophobicContact CE-CB 3.83Å; M54-L96 HydrophobicContact CE-CD1 4.06Å; M54-L96 HydrophobicContact CE-CG 4.43Å; M54-L102 HydrophobicContact CB-CD1 3.74Å; M54-L102 HydrophobicContact CB-CD2 3.88Å; M54-L102 HydrophobicContact CE-CD1 4.08Å; M54-L102 HydrophobicContact CG-CD1 4.25Å
55Q94.8Very high92.9Very high88 Ų8852 Ų5241%0.41125%0.253SS..Hα-helixtrans-63.1-40.7176.6-75.1169.330.500111.5D51 Q52 R59 L102D51-Q55 WeakPolarHBondContact O-CB 3.14Å; D51-Q55 WeakPolarHBondContact O-CG 3.32Å; D51-Q55 PolarHBondContact O-N 3.48Å; Q52-Q55 PolarHBondContact O-N 3.32Å; Q55-R59 VanDerWaalsContact O-CB 3.29Å; Q55-R59 WeakPolarHBondContact O-CB 3.32Å; Q55-R59 PolarHBondContact O-N 2.98Å; Q55-L102 HydrophobicContact CG-CD2 3.7Å
56E94.6Very high92.3Very high61 Ų6156 Ų5629%0.28528%0.281SS..Hα-helixtrans-70.6-40.8177.7-174.563.8-173.800112.5L24 Q52 C53 M54 V58 R59 L60L24-E56 HydrophobicContact CD2-CB 3.86Å; L24-E56 HydrophobicContact CD2-CG 3.73Å; Q52-E56 WeakPolarHBondContact O-CB 3.21Å; Q52-E56 PolarHBondContact O-N 2.98Å; C53-E56 PolarHBondContact O-N 3.49Å; M54-E56 VanDerWaalsContact C-N 3.34Å; E56-V58 PolarHBondContact O-N 3.01Å; E56-R59 VanDerWaalsContact CD-NH2 3.34Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 3.38Å; E56-R59 VanDerWaalsContact O-N 3.15Å; E56-R59 IonicContact OE1-CZ 2.64Å; E56-R59 IonicContact OE1-NE 2.74Å; E56-R59 IonicContact OE1-NH2 2.74Å; E56-R59 PolarHBondContact OE1-NH2 3.22Å; E56-R59 IonicContact OE2-CZ 2.69Å; E56-R59 IonicContact OE2-NE 3.74Å; E56-R59 PolarHBondContact OE2-NE 3.41Å; E56-R59 IonicContact OE2-NH2 3.62Å; E56-R59 PolarHBondContact OE2-NH2 2.89Å; E56-L60 HydrophobicContact CG-CD1 4.49Å; E56-L60 WeakPolarHBondContact O-CG 3.39Å; E56-L60 PolarHBondContact O-N 3.11Å
57L95.7Very high91.3Very high2 Ų253.4 Ų53.41%0.0128%0.284CS..Hα-helixtrans-58-47.3172.7-73.6168.9000111.3L24 M28 C53 M54 R59 L60 I61 A81 L84 L85L24-L57 HydrophobicContact CD1-CD2 4.26Å; L24-L57 HydrophobicContact CD1-CG 4.43Å; L24-L57 HydrophobicContact CD2-CD2 4.17Å; L24-L57 HydrophobicContact CD2-CG 4.01Å; M28-L57 HydrophobicContact CE-CD2 4.29Å; M28-L57 HydrophobicContact SD-CD2 4.01Å; C53-L57 WeakPolarHBondContact O-CB 3.26Å; C53-L57 VanDerWaalsContact O-CG 3.3Å; C53-L57 WeakPolarHBondContact O-CG 3.45Å; C53-L57 PolarHBondContact O-N 2.97Å; M54-L57 PolarHBondContact O-N 3.02Å; L57-R59 VanDerWaalsContact C-N 3.32Å; L57-R59 PolarHBondContact O-N 3.26Å; L57-L60 PolarHBondContact O-N 3.47Å; L57-I61 PolarHBondContact O-N 3.41Å; L57-A81 HydrophobicContact CD2-CB 3.79Å; L57-L84 HydrophobicContact CD2-CD1 3.95Å; L57-L85 HydrophobicContact CB-CD1 4.05Å; L57-L85 HydrophobicContact CB-CD2 4.05Å; L57-L85 HydrophobicContact CB-CG 4.15Å; L57-L85 HydrophobicContact CD1-CD2 4.45Å
58V96.1Very high90.1Very high0 Ų056 Ų560%032%0.319CS..Hα-helixtrans-64.1-37.6175.2171.30000111.3M54 E56 L60 I61 T62 L85 L96 N105 L106M54-V58 WeakPolarHBondContact O-CG2 3.2Å; M54-V58 PolarHBondContact O-N 3.14Å; E56-V58 PolarHBondContact O-N 3.01Å; V58-L60 PolarHBondContact O-N 2.92Å; V58-I61 VanDerWaalsContact O-CG1 3.31Å; V58-I61 WeakPolarHBondContact O-CG1 3.27Å; V58-I61 PolarHBondContact O-N 3.25Å; V58-T62 HydrophobicContact CG1-CG2 4.36Å; V58-T62 WeakPolarHBondContact O-CB 3.3Å; V58-T62 WeakPolarHBondContact O-CG2 3.38Å; V58-T62 PolarHBondContact O-N 3.04Å; V58-T62 PolarHBondContact O-OG1 3.29Å; V58-L85 HydrophobicContact CG2-CD1 4.14Å; V58-L85 HydrophobicContact CG2-CD2 4.38Å; V58-L96 HydrophobicContact CG2-CD1 3.72Å; V58-N105 HydrophobicContact CG1-CB 3.73Å; V58-L106 HydrophobicContact CG1-CD2 3.9Å; V58-L106 HydrophobicContact CG1-CG 3.89Å
59R94.7Very high89.2Confident115 Ų11557.8 Ų57.843%0.43433%0.333SS..Hα-helixtrans-64.3-39.1176.8-164-18073.178.62112.1Q55 E56 L57 I61 T62 T63Q55-R59 VanDerWaalsContact O-CB 3.29Å; Q55-R59 WeakPolarHBondContact O-CB 3.32Å; Q55-R59 PolarHBondContact O-N 2.98Å; E56-R59 VanDerWaalsContact CD-NH2 3.34Å; E56-R59 WeakPolarHBondContact O-CB 3.47Å; E56-R59 PolarHBondContact O-N 3.38Å; E56-R59 VanDerWaalsContact O-N 3.15Å; E56-R59 IonicContact OE1-CZ 2.64Å; E56-R59 IonicContact OE1-NE 2.74Å; E56-R59 IonicContact OE1-NH2 2.74Å; E56-R59 PolarHBondContact OE1-NH2 3.22Å; E56-R59 IonicContact OE2-CZ 2.69Å; E56-R59 IonicContact OE2-NE 3.74Å; E56-R59 PolarHBondContact OE2-NE 3.41Å; E56-R59 IonicContact OE2-NH2 3.62Å; E56-R59 PolarHBondContact OE2-NH2 2.89Å; L57-R59 VanDerWaalsContact C-N 3.32Å; L57-R59 PolarHBondContact O-N 3.26Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 3.1Å; R59-T62 WeakPolarHBondContact CA-OG1 3.14Å; R59-T62 PolarHBondContact O-N 3.49Å; R59-T62 PolarHBondContact O-OG1 2.88Å; R59-T63 WeakPolarHBondContact CG-OG1 3.23Å; R59-T63 VanDerWaalsContact O-CB 3.23Å; R59-T63 WeakPolarHBondContact O-CB 3.46Å; R59-T63 PolarHBondContact O-N 2.9Å; R59-T63 PolarHBondContact O-OG1 3.18Å
60L93.3Very high88.5Confident32 Ų3262.1 Ų62.117%0.16835%0.351CS..Hα-helixtrans-63.1-32.3178.7-74.7167.9000113.1M28 E56 L57 V58 P78 A81M28-L60 HydrophobicContact CE-CD1 4.01Å; M28-L60 HydrophobicContact SD-CD1 4Å; E56-L60 HydrophobicContact CG-CD1 4.49Å; E56-L60 WeakPolarHBondContact O-CG 3.39Å; E56-L60 PolarHBondContact O-N 3.11Å; L57-L60 PolarHBondContact O-N 3.47Å; V58-L60 PolarHBondContact O-N 2.92Å; L60-P78 WeakPolarHBondContact O-CB 3.4Å; L60-P78 WeakPolarHBondContact O-CG 3.3Å; L60-A81 HydrophobicContact CB-CB 3.82Å; L60-A81 HydrophobicContact CD1-CB 4.1Å
61I94.6Very high87.3Confident0 Ų064.2 Ų64.20%036%0.361CS..Hα-helixtrans-91.2-9.2176.963162.5000114.5L57 V58 R59 P78 A81 C82 L85 L106 F123 T127L57-I61 PolarHBondContact O-N 3.41Å; V58-I61 VanDerWaalsContact O-CG1 3.31Å; V58-I61 WeakPolarHBondContact O-CG1 3.27Å; V58-I61 PolarHBondContact O-N 3.25Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 3.1Å; I61-P78 WeakPolarHBondContact CG2-O 3.47Å; I61-A81 HydrophobicContact CG2-CB 3.96Å; I61-C82 HydrophobicContact CG2-CB 3.91Å; I61-L85 HydrophobicContact CD1-CD1 3.6Å; I61-L85 HydrophobicContact CG1-CD1 4.06Å; I61-L106 HydrophobicContact CD1-CD2 4.02Å; I61-F123 HydrophobicContact CB-CB 3.94Å; I61-F123 HydrophobicContact CG2-CB 4.06Å; I61-F123 HydrophobicContact CG2-CD2 4.41Å; I61-F123 HydrophobicContact CG2-CG 4.41Å; I61-T127 HydrophobicContact CD1-CG2 4Å; I61-T127 VanDerWaalsContact CD1-OG1 3.25Å; I61-T127 WeakPolarHBondContact CD1-OG1 3.34Å
62T93.9Very high86.1Confident7 Ų764 Ų644%0.04336%0.363CS..Hα-helixtrans-116.7-11.5-176.654.30000114.7V58 R59 L106 F109 Q112V58-T62 HydrophobicContact CG1-CG2 4.36Å; V58-T62 WeakPolarHBondContact O-CB 3.3Å; V58-T62 WeakPolarHBondContact O-CG2 3.38Å; V58-T62 PolarHBondContact O-N 3.04Å; V58-T62 PolarHBondContact O-OG1 3.29Å; R59-T62 WeakPolarHBondContact CA-OG1 3.14Å; R59-T62 PolarHBondContact O-N 3.49Å; R59-T62 PolarHBondContact O-OG1 2.88Å; T62-L106 HydrophobicContact CG2-CD2 4.21Å; T62-F109 HydrophobicContact CG2-CB 3.85Å; T62-F109 HydrophobicContact CG2-CD2 4.44Å; T62-F109 HydrophobicContact CG2-CG 4.26Å; T62-F109 WeakPolarHBondContact O-CD2 3.5Å; T62-Q112 PolarHBondContact O-NE2 3.5Å
63T90.9Very high85.2Confident58 Ų5860 Ų6036%0.35634%0.343SS..SBendtrans-121.7128.7-175.8-51.60000110.6R59R59-T63 WeakPolarHBondContact CG-OG1 3.23Å; R59-T63 VanDerWaalsContact O-CB 3.23Å; R59-T63 WeakPolarHBondContact O-CB 3.46Å; R59-T63 PolarHBondContact O-N 2.9Å; R59-T63 PolarHBondContact O-OG1 3.18Å
64E85.3Confident84.3Confident119 Ų11962.3 Ų62.356%0.55635%0.35SS*.PPolyproline II helixtrans-60.6132.1175.9-67.4-160.713600112N117 L120E64-N117 HydrophobicContact CG-CB 4.42Å; E64-N117 PolarHBondContact OE1-ND2 3.2Å; E64-L120 HydrophobicContact CG-CD1 3.89Å
65P80.2Confident83.7Confident45 Ų4568.1 Ų68.129%0.29238%0.376SS..PPolyproline II helixtrans-69.8140176.928.2-33.8000110.6A67 R74P65-A67 PolarHBondContact O-N 3.07Å; P65-R74 HydrophobicContact CB-CB 4.19Å; P65-R74 HydrophobicContact CB-CG 3.99Å; P65-R74 HydrophobicContact CG-CB 3.65Å; P65-R74 HydrophobicContact CG-CG 3.83Å
66P80.4Confident83.4Confident98 Ų9867.4 Ų67.464%0.63637%0.371SS*.PPolyproline II helixtrans-55139.3-172.7-28.535.2000114.1G68 A69P66-G68 PolarHBondContact O-N 3.24Å; P66-A69 WeakPolarHBondContact O-CB 3.44Å; P66-A69 PolarHBondContact O-N 2.84Å
67A71.2Confident83.2Confident94 Ų9465.9 Ų65.978%0.77736%0.363SS*.THydrogen-bonded Turntrans-61.8-2.8-174.500000116.3P65 R74P65-A67 PolarHBondContact O-N 3.07Å; A67-R74 PolarHBondContact O-NH2 3.19Å
68G69.9Low83Confident81 Ų8166 Ų6684%0.83536%0.364SS*.THydrogen-bonded Turntrans-107.11.5171.500000115.4P66P66-G68 PolarHBondContact O-N 3.24Å
69A74.2Confident82.9Confident36 Ų3669.7 Ų69.730%0.29838%0.384SS..SBendtrans-74.3156.8177.200000112.1P66 E71 R74P66-A69 WeakPolarHBondContact O-CB 3.44Å; P66-A69 PolarHBondContact O-N 2.84Å; A69-E71 PolarHBondContact O-N 3Å; A69-R74 HydrophobicContact CB-CG 4.01Å; A69-R74 VanDerWaalsContact O-CZ 3.26Å; A69-R74 PolarHBondContact O-NE 3.49Å; A69-R74 PolarHBondContact O-NH2 3.38Å
70E77.9Confident82.8Confident114 Ų11465 Ų6553%0.53337%0.367SS..  trans-62127.5174.9-159.6-167.1148.500110.6T72 K73 R74E70-T72 VanDerWaalsContact C-N 3.34Å; E70-T72 VanDerWaalsContact CG-OG1 3.26Å; E70-T72 WeakPolarHBondContact CG-OG1 3.48Å; E70-T72 PolarHBondContact O-N 2.94Å; E70-T72 PolarHBondContact OE1-OG1 2.91Å; E70-K73 HydrophobicContact CB-CB 4.28Å; E70-K73 HydrophobicContact CB-CD 4.24Å; E70-K73 HydrophobicContact CB-CG 4.32Å; E70-K73 WeakPolarHBondContact O-CA 3.45Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 3.25Å; E70-K73 WeakPolarHBondContact OE2-CD 3.4Å; E70-K73 WeakPolarHBondContact OE2-CE 3.4Å; E70-R74 WeakPolarHBondContact O-CG 3.28Å; E70-R74 PolarHBondContact O-N 2.8Å
71E68.8Low82.9Confident137 Ų13763.5 Ų63.564%0.6436%0.359SS*.Hα-helixtrans-61.4-39.9-170.7-66.4-179.2152.900113A69 K73 R74 F75A69-E71 PolarHBondContact O-N 3Å; E71-K73 PolarHBondContact O-N 3.11Å; E71-R74 WeakPolarHBondContact O-CB 3.28Å; E71-R74 PolarHBondContact O-N 2.6Å; E71-R74 VanDerWaalsContact O-N 3.08Å; E71-F75 WeakPolarHBondContact O-CD2 3.38Å; E71-F75 PolarHBondContact O-N 2.91Å
72T67.9Low83Confident86 Ų8663.6 Ų63.653%0.52836%0.36SS..Hα-helixtrans-47.4-46.8169.250.60000112E70 K76E70-T72 VanDerWaalsContact C-N 3.34Å; E70-T72 VanDerWaalsContact CG-OG1 3.26Å; E70-T72 WeakPolarHBondContact CG-OG1 3.48Å; E70-T72 PolarHBondContact O-N 2.94Å; E70-T72 PolarHBondContact OE1-OG1 2.91Å; T72-K76 WeakPolarHBondContact O-CB 3.44Å; T72-K76 PolarHBondContact O-N 2.85Å
73K74.3Confident83.1Confident77 Ų7765.3 Ų65.334%0.33537%0.368SS..Hα-helixtrans-78.6-25.8-178.8-67.8-179.8-178.7-104.80113.1D29 E70 E71 F75 Y77D29-K73 IonicContact OD2-NZ 3.86Å; E70-K73 HydrophobicContact CB-CB 4.28Å; E70-K73 HydrophobicContact CB-CD 4.24Å; E70-K73 HydrophobicContact CB-CG 4.32Å; E70-K73 WeakPolarHBondContact O-CA 3.45Å; E70-K73 WeakPolarHBondContact O-CB 3.36Å; E70-K73 PolarHBondContact O-N 3.25Å; E70-K73 WeakPolarHBondContact OE2-CD 3.4Å; E70-K73 WeakPolarHBondContact OE2-CE 3.4Å; E71-K73 PolarHBondContact O-N 3.11Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.2Å; K73-Y77 HydrophobicContact CB-CD2 4Å; K73-Y77 HydrophobicContact CB-CE2 3.61Å; K73-Y77 HydrophobicContact CD-CE2 3.97Å; K73-Y77 HydrophobicContact CG-CE2 3.72Å; K73-Y77 PolarHBondContact NZ-OH 3.2Å; K73-Y77 VanDerWaalsContact O-CD2 3.29Å; K73-Y77 WeakPolarHBondContact O-CD2 3.37Å
74R76.3Confident83.4Confident58 Ų5862.6 Ų62.622%0.21935%0.351CS..Hα-helixtrans-64-32.5172-62.8-170.1-155.5-175.86.1112.5P65 A67 A69 E70 E71 P78P65-R74 HydrophobicContact CB-CB 4.19Å; P65-R74 HydrophobicContact CB-CG 3.99Å; P65-R74 HydrophobicContact CG-CB 3.65Å; P65-R74 HydrophobicContact CG-CG 3.83Å; A67-R74 PolarHBondContact O-NH2 3.19Å; A69-R74 HydrophobicContact CB-CG 4.01Å; A69-R74 VanDerWaalsContact O-CZ 3.26Å; A69-R74 PolarHBondContact O-NE 3.49Å; A69-R74 PolarHBondContact O-NH2 3.38Å; E70-R74 WeakPolarHBondContact O-CG 3.28Å; E70-R74 PolarHBondContact O-N 2.8Å; E71-R74 WeakPolarHBondContact O-CB 3.28Å; E71-R74 PolarHBondContact O-N 2.6Å; E71-R74 VanDerWaalsContact O-N 3.08Å; R74-P78 WeakPolarHBondContact O-CD 3.4Å; R74-P78 VanDerWaalsContact O-CG 3.26Å; R74-P78 WeakPolarHBondContact O-CG 3.45Å
75F82.8Confident83.9Confident123 Ų12357 Ų5754%0.53932%0.324SS..Hα-helixtrans-99.2-39-179.6-59.2-63.4000112.9E71 K73 N79 L119E71-F75 WeakPolarHBondContact O-CD2 3.38Å; E71-F75 PolarHBondContact O-N 2.91Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.2Å; F75-N79 VanDerWaalsContact O-CB 3.27Å; F75-N79 WeakPolarHBondContact O-CB 3.33Å; F75-N79 PolarHBondContact O-N 3.23Å; F75-L119 HydrophobicContact CD1-CD2 3.57Å; F75-L119 HydrophobicContact CE1-CD2 3.86Å
76K89Confident84.6Confident73 Ų7355.8 Ų55.832%0.31732%0.317SS..Hα-helixtrans-56.7-55.8179.4-178.9-179.5179.3-177.60112.3M28 D29 T72 N79 I80M28-K76 WeakPolarHBondContact O-CE 3.4Å; D29-K76 PolarHBondContact O-NZ 3.14Å; D29-K76 VanDerWaalsContact O-NZ 3.13Å; D29-K76 IonicContact OD1-NZ 3.77Å; D29-K76 PolarHBondContact OD1-NZ 2.99Å; T72-K76 WeakPolarHBondContact O-CB 3.44Å; T72-K76 PolarHBondContact O-N 2.85Å; K76-N79 PolarHBondContact O-N 3.39Å; K76-I80 HydrophobicContact CD-CD1 4.18Å; K76-I80 VanDerWaalsContact CE-CD1 3.47Å; K76-I80 HydrophobicContact CG-CD1 3.6Å; K76-I80 HydrophobicContact CG-CG1 4.37Å; K76-I80 WeakPolarHBondContact O-CG1 3.36Å; K76-I80 PolarHBondContact O-N 3Å
77Y90.3Very high85.1Confident28 Ų2851.4 Ų51.411%0.1129%0.288CS..Hα-helixtrans-69.9-42.7-170.6-56.4-53.5000113.5T25 M28 D29 K73 N79 I80 A81T25-Y77 HydrophobicContact CG2-CE1 3.97Å; T25-Y77 HydrophobicContact CG2-CE2 4.13Å; T25-Y77 WeakPolarHBondContact CG2-OH 3.4Å; M28-Y77 HydrophobicContact CB-CD1 4.15Å; M28-Y77 HydrophobicContact CB-CE1 4.43Å; M28-Y77 HydrophobicContact CE-CD1 4.4Å; M28-Y77 WeakPolarHBondContact CE-O 3.28Å; D29-Y77 VanDerWaalsContact CG-OH 3.3Å; D29-Y77 PolarHBondContact OD1-OH 2.68Å; D29-Y77 PolarHBondContact OD2-OH 3.1Å; K73-Y77 HydrophobicContact CB-CD2 4Å; K73-Y77 HydrophobicContact CB-CE2 3.61Å; K73-Y77 HydrophobicContact CD-CE2 3.97Å; K73-Y77 HydrophobicContact CG-CE2 3.72Å; K73-Y77 PolarHBondContact NZ-OH 3.2Å; K73-Y77 VanDerWaalsContact O-CD2 3.29Å; K73-Y77 WeakPolarHBondContact O-CD2 3.37Å; Y77-N79 VanDerWaalsContact C-N 3.34Å; Y77-N79 PolarHBondContact O-N 3.45Å; Y77-I80 PolarHBondContact O-N 3.4Å; Y77-A81 WeakPolarHBondContact O-CB 3.28Å; Y77-A81 PolarHBondContact O-N 3.49Å
78P91.8Very high86Confident4 Ų451.3 Ų51.33%0.02628%0.275CS..Hα-helixtrans-61.7-37.7173-29.240.6000113.6L60 I61 R74 A81 C82 F123L60-P78 WeakPolarHBondContact O-CB 3.4Å; L60-P78 WeakPolarHBondContact O-CG 3.3Å; I61-P78 WeakPolarHBondContact CG2-O 3.47Å; R74-P78 WeakPolarHBondContact O-CD 3.4Å; R74-P78 VanDerWaalsContact O-CG 3.26Å; R74-P78 WeakPolarHBondContact O-CG 3.45Å; P78-A81 PolarHBondContact O-N 2.95Å; P78-C82 WeakPolarHBondContact O-CB 3.31Å; P78-C82 PolarHBondContact O-N 2.69Å; P78-F123 HydrophobicContact CB-CD2 4.06Å; P78-F123 HydrophobicContact CB-CE2 3.6Å
79N92.8Very high87.1Confident78 Ų7847.6 Ų47.642%0.41724%0.235SC..Hα-helixtrans-64.2-51.5175.8179.6-84.3000111.7F75 K76 Y77 A81 C82 E83 F123F75-N79 VanDerWaalsContact O-CB 3.27Å; F75-N79 WeakPolarHBondContact O-CB 3.33Å; F75-N79 PolarHBondContact O-N 3.23Å; K76-N79 PolarHBondContact O-N 3.39Å; Y77-N79 VanDerWaalsContact C-N 3.34Å; Y77-N79 PolarHBondContact O-N 3.45Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 2.88Å; N79-C82 WeakPolarHBondContact O-CB 3.45Å; N79-C82 PolarHBondContact O-N 2.9Å; N79-C82 VanDerWaalsContact O-N 3.17Å; N79-E83 PolarHBondContact O-N 3.46Å; N79-F123 HydrophobicContact CB-CE1 4.38Å; N79-F123 HydrophobicContact CB-CZ 3.98Å
80I93.9Very high88Confident18 Ų1847.5 Ų47.59%0.09224%0.238CC..Hα-helixtrans-62.5-37.5176.9-65.3176.1000111.1M28 V33 L34 K76 Y77 E83 L84M28-I80 HydrophobicContact CB-CG2 4.37Å; M28-I80 HydrophobicContact CE-CB 3.84Å; M28-I80 HydrophobicContact CE-CG2 3.76Å; M28-I80 HydrophobicContact CG-CG2 4.22Å; M28-I80 WeakPolarHBondContact O-CD1 3.42Å; V33-I80 HydrophobicContact CG1-CG2 4.27Å; L34-I80 HydrophobicContact CD2-CG2 4.18Å; K76-I80 HydrophobicContact CD-CD1 4.18Å; K76-I80 VanDerWaalsContact CE-CD1 3.47Å; K76-I80 HydrophobicContact CG-CD1 3.6Å; K76-I80 HydrophobicContact CG-CG1 4.37Å; K76-I80 WeakPolarHBondContact O-CG1 3.36Å; K76-I80 PolarHBondContact O-N 3Å; Y77-I80 PolarHBondContact O-N 3.4Å; I80-E83 PolarHBondContact O-N 3.28Å; I80-L84 HydrophobicContact CG2-CD1 4.01Å; I80-L84 HydrophobicContact CG2-CG 4.34Å; I80-L84 WeakPolarHBondContact O-CB 3.25Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.22Å; I80-L84 PolarHBondContact O-N 2.91Å
81A95.4Very high88.8Confident0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-64.4-41.4175.500000111.9M28 L57 L60 I61 Y77 P78 N79 L84 L85M28-A81 HydrophobicContact CE-CB 3.89Å; L57-A81 HydrophobicContact CD2-CB 3.79Å; L60-A81 HydrophobicContact CB-CB 3.82Å; L60-A81 HydrophobicContact CD1-CB 4.1Å; I61-A81 HydrophobicContact CG2-CB 3.96Å; Y77-A81 WeakPolarHBondContact O-CB 3.28Å; Y77-A81 PolarHBondContact O-N 3.49Å; P78-A81 PolarHBondContact O-N 2.95Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 2.88Å; A81-L84 PolarHBondContact O-N 3.38Å; A81-L85 WeakPolarHBondContact O-CB 3.03Å; A81-L85 WeakPolarHBondContact O-CG 3.45Å; A81-L85 PolarHBondContact O-N 2.71Å
82C96.1Very high90Very high1 Ų139.5 Ų39.51%0.00721%0.206CC..Hα-helixtrans-60.7-51.8172.6-170.50000110.7I61 P78 N79 L84 L85 T86 F123I61-C82 HydrophobicContact CG2-CB 3.91Å; P78-C82 WeakPolarHBondContact O-CB 3.31Å; P78-C82 PolarHBondContact O-N 2.69Å; N79-C82 WeakPolarHBondContact O-CB 3.45Å; N79-C82 PolarHBondContact O-N 2.9Å; N79-C82 VanDerWaalsContact O-N 3.17Å; C82-L84 VanDerWaalsContact C-N 3.28Å; C82-L84 PolarHBondContact O-N 2.96Å; C82-L85 CarbonylContact O-C 3.51Å; C82-L85 PolarHBondContact O-N 2.7Å; C82-T86 WeakPolarHBondContact O-CB 3.13Å; C82-T86 WeakPolarHBondContact O-CG2 3.18Å; C82-T86 PolarHBondContact O-N 2.94Å; C82-T86 PolarHBondContact O-OG1 3.17Å; C82-F123 HydrophobicContact CB-CB 4.02Å; C82-F123 HydrophobicContact CB-CD1 3.52Å; C82-F123 HydrophobicContact CB-CE1 4.13Å; C82-F123 HydrophobicContact CB-CG 3.84Å
83E96.1Very high91.3Very high44 Ų4435.4 Ų35.421%0.20618%0.181CC..Hα-helixtrans-60.9-33.4-179.5-72.4-58.8122.600113.3L34 N79 I80 C87 K126L34-E83 HydrophobicContact CD1-CB 4.1Å; L34-E83 HydrophobicContact CD2-CB 3.75Å; N79-E83 PolarHBondContact O-N 3.46Å; I80-E83 PolarHBondContact O-N 3.28Å; E83-C87 WeakPolarHBondContact O-CB 3.44Å; E83-C87 PolarHBondContact O-N 3.47Å; E83-C87 VanDerWaalsContact O-N 3.07Å; E83-K126 IonicContact OE1-NZ 2.81Å; E83-K126 PolarHBondContact OE1-NZ 3.37Å
84L95.8Very high92.3Very high1 Ų135 Ų351%0.00518%0.183CC..Hα-helixtrans-69.4-39.5171.6-73.5172.6000112.4M28 L34 C37 F48 L57 I80 A81 C82 C87M28-L84 HydrophobicContact CG-CD1 4.35Å; L34-L84 HydrophobicContact CD2-CD2 3.77Å; L34-L84 HydrophobicContact CD2-CG 3.77Å; C37-L84 HydrophobicContact CB-CD2 3.78Å; F48-L84 HydrophobicContact CD2-CD2 4.22Å; F48-L84 HydrophobicContact CE1-CD1 4.33Å; F48-L84 HydrophobicContact CE2-CD1 4.01Å; F48-L84 HydrophobicContact CE2-CD2 3.57Å; F48-L84 HydrophobicContact CE2-CG 4.43Å; F48-L84 HydrophobicContact CZ-CD1 3.82Å; F48-L84 HydrophobicContact CZ-CD2 4.14Å; L57-L84 HydrophobicContact CD2-CD1 3.95Å; I80-L84 HydrophobicContact CG2-CD1 4.01Å; I80-L84 HydrophobicContact CG2-CG 4.34Å; I80-L84 WeakPolarHBondContact O-CB 3.25Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.22Å; I80-L84 PolarHBondContact O-N 2.91Å; A81-L84 PolarHBondContact O-N 3.38Å; C82-L84 VanDerWaalsContact C-N 3.28Å; C82-L84 PolarHBondContact O-N 2.96Å; L84-C87 PolarHBondContact O-SG 2.79Å
85L96.1Very high93.1Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-78.3-20.2178.4-66.4169.4000113.4M54 L57 V58 I61 A81 C82 L96 T127 N130M54-L85 HydrophobicContact CE-CD2 3.8Å; L57-L85 HydrophobicContact CB-CD1 4.05Å; L57-L85 HydrophobicContact CB-CD2 4.05Å; L57-L85 HydrophobicContact CB-CG 4.15Å; L57-L85 HydrophobicContact CD1-CD2 4.45Å; V58-L85 HydrophobicContact CG2-CD1 4.14Å; V58-L85 HydrophobicContact CG2-CD2 4.38Å; I61-L85 HydrophobicContact CD1-CD1 3.6Å; I61-L85 HydrophobicContact CG1-CD1 4.06Å; A81-L85 WeakPolarHBondContact O-CB 3.03Å; A81-L85 WeakPolarHBondContact O-CG 3.45Å; A81-L85 PolarHBondContact O-N 2.71Å; C82-L85 CarbonylContact O-C 3.51Å; C82-L85 PolarHBondContact O-N 2.7Å; L85-L96 HydrophobicContact CB-CD2 4.26Å; L85-L96 HydrophobicContact CD2-CD1 4.38Å; L85-L96 HydrophobicContact CD2-CD2 3.9Å; L85-T127 HydrophobicContact CB-CG2 4.26Å; L85-N130 PolarHBondContact O-ND2 3.01Å
86T95Very high93.7Very high21 Ų2127.7 Ų27.713%0.12915%0.152CC..SBendtrans-105.83178.7630000114C82 K126 N130C82-T86 WeakPolarHBondContact O-CB 3.13Å; C82-T86 WeakPolarHBondContact O-CG2 3.18Å; C82-T86 PolarHBondContact O-N 2.94Å; C82-T86 PolarHBondContact O-OG1 3.17Å; T86-K126 HydrophobicContact CG2-CB 4.16Å; T86-K126 HydrophobicContact CG2-CD 4.29Å; T86-K126 HydrophobicContact CG2-CG 3.86Å; T86-N130 HydrophobicContact CG2-CB 4.41Å
87C92.1Very high94Very high6 Ų624.3 Ų24.34%0.04114%0.138CC..SBendtrans-68.7148.7174.371.50000111.4K38 E83 L84 V89 N93K38-C87 HydrophobicContact CG-CB 4.28Å; E83-C87 WeakPolarHBondContact O-CB 3.44Å; E83-C87 PolarHBondContact O-N 3.47Å; E83-C87 VanDerWaalsContact O-N 3.07Å; L84-C87 PolarHBondContact O-SG 2.79Å; C87-V89 HydrophobicContact CB-CG2 4.35Å; C87-V89 PolarHBondContact O-N 3.15Å; C87-V89 WeakPolarHBondContact SG-CG2 3.49Å; C87-N93 PolarHBondContact O-ND2 3Å; C87-N93 VanDerWaalsContact O-ND2 3.09Å
88D88.7Confident94.1Very high92 Ų9227.2 Ų27.249%0.49216%0.155SC..SBendtrans-79.253.4179.1-162.710.7000112.4R134D88-R134 VanDerWaalsContact CG-CZ 3.41Å; D88-R134 VanDerWaalsContact CG-NH2 3.28Å; D88-R134 IonicContact OD1-CZ 2.64Å; D88-R134 VanDerWaalsContact OD1-CZ 3.32Å; D88-R134 IonicContact OD1-NH1 3.05Å; D88-R134 PolarHBondContact OD1-NH1 3.13Å; D88-R134 IonicContact OD1-NH2 2.7Å; D88-R134 IonicContact OD2-CZ 3.07Å; D88-R134 IonicContact OD2-NH1 2.96Å; D88-R134 PolarHBondContact OD2-NH1 3.27Å; D88-R134 IonicContact OD2-NH2 2.71Å; D88-R134 PolarHBondContact OD2-NH2 2.96Å
89V93.7Very high94.2Very high2 Ų230.2 Ų30.21%0.01217%0.169CC..  trans-107.5104.6176.7178.40000108.2C37 Q40 L45 C87 V91 I92 N93C37-V89 WeakPolarHBondContact O-CG2 3.3Å; Q40-V89 HydrophobicContact CG-CG1 4.44Å; Q40-V89 HydrophobicContact CG-CG2 4.47Å; L45-V89 HydrophobicContact CD1-CG1 3.73Å; L45-V89 HydrophobicContact CD2-CG1 3.79Å; L45-V89 HydrophobicContact CG-CG1 4.43Å; C87-V89 HydrophobicContact CB-CG2 4.35Å; C87-V89 PolarHBondContact O-N 3.15Å; C87-V89 WeakPolarHBondContact SG-CG2 3.49Å; V89-V91 PolarHBondContact O-N 3.07Å; V89-I92 HydrophobicContact CB-CD1 4.38Å; V89-I92 HydrophobicContact CG1-CD1 4.41Å; V89-I92 HydrophobicContact CG1-CG1 4.38Å; V89-I92 PolarHBondContact O-N 2.95Å; V89-N93 PolarHBondContact O-N 2.79Å; V89-N93 VanDerWaalsContact O-N 3.17Å; V89-N93 PolarHBondContact O-ND2 2.95Å
90G92.9Very high94.2Very high35 Ų3530.9 Ų30.936%0.36117%0.169SC..Hα-helixtrans-48.1-39.2-174.900000114.2I92 N93 D94G90-I92 PolarHBondContact O-N 3.26Å; G90-N93 PolarHBondContact O-N 3.31Å; G90-D94 VanDerWaalsContact O-CB 3.32Å; G90-D94 WeakPolarHBondContact O-CB 3.42Å; G90-D94 PolarHBondContact O-N 3.42Å; G90-D94 VanDerWaalsContact O-OD2 3.06Å
91V94.4Very high94.3Very high79 Ų7933.9 Ų33.948%0.47919%0.19SC..Hα-helixtrans-64.2-39.6-179.2-166.80000112.9L45 V89 K95L45-V91 HydrophobicContact CD1-CG2 4.5Å; V89-V91 PolarHBondContact O-N 3.07Å; V91-K95 WeakPolarHBondContact O-CB 3.42Å; V91-K95 PolarHBondContact O-N 2.98Å
92I94.9Very high94.3Very high3 Ų333.9 Ų33.92%0.01519%0.19CC..Hα-helixtrans-72.2-44.9177.6-67.1173000109.4C37 L45 M54 V89 G90 D94 K95 L96C37-I92 VanDerWaalsContact SG-CD1 3.54Å; L45-I92 HydrophobicContact CD2-CD1 3.76Å; L45-I92 HydrophobicContact CD2-CG1 4.17Å; M54-I92 HydrophobicContact CE-CG2 4.32Å; V89-I92 HydrophobicContact CB-CD1 4.38Å; V89-I92 HydrophobicContact CG1-CD1 4.41Å; V89-I92 HydrophobicContact CG1-CG1 4.38Å; V89-I92 PolarHBondContact O-N 2.95Å; G90-I92 PolarHBondContact O-N 3.26Å; I92-D94 VanDerWaalsContact C-N 3.29Å; I92-D94 PolarHBondContact O-N 3.25Å; I92-K95 PolarHBondContact O-N 3.41Å; I92-L96 VanDerWaalsContact O-CB 3.28Å; I92-L96 WeakPolarHBondContact O-CB 3.2Å; I92-L96 PolarHBondContact O-N 3.31Å
93N94.6Very high94.3Very high1 Ų134.1 Ų34.11%0.00519%0.192CC..Hα-helixtrans-60.8-37.2175.3-69.7-46.4000111.9C87 V89 G90 G97 N130 K135C87-N93 PolarHBondContact O-ND2 3Å; C87-N93 VanDerWaalsContact O-ND2 3.09Å; V89-N93 PolarHBondContact O-N 2.79Å; V89-N93 VanDerWaalsContact O-N 3.17Å; V89-N93 PolarHBondContact O-ND2 2.95Å; G90-N93 PolarHBondContact O-N 3.31Å; N93-G97 PolarHBondContact O-N 3.49Å; N93-N130 PolarHBondContact OD1-ND2 3.29Å; N93-K135 WeakPolarHBondContact O-CG 3.28Å
94D94.6Very high94.3Very high68 Ų6835.5 Ų35.536%0.36420%0.198SC..Hα-helixtrans-68.2-44.9173.4-88.1-56.4000112.2G90 I92 N98 K135G90-D94 VanDerWaalsContact O-CB 3.32Å; G90-D94 WeakPolarHBondContact O-CB 3.42Å; G90-D94 PolarHBondContact O-N 3.42Å; G90-D94 VanDerWaalsContact O-OD2 3.06Å; I92-D94 VanDerWaalsContact C-N 3.29Å; I92-D94 PolarHBondContact O-N 3.25Å; D94-N98 WeakPolarHBondContact CA-ND2 3.29Å; D94-N98 VanDerWaalsContact O-CB 3.25Å; D94-N98 WeakPolarHBondContact O-CB 3.41Å; D94-N98 PolarHBondContact O-N 3.39Å; D94-N98 PolarHBondContact O-ND2 2.95Å; D94-N98 PolarHBondContact OD1-ND2 3.15Å; D94-K135 WeakPolarHBondContact OD1-CE 3.5Å; D94-K135 IonicContact OD1-NZ 2.88Å; D94-K135 PolarHBondContact OD1-NZ 2.79Å; D94-K135 IonicContact OD2-NZ 2.85Å; D94-K135 PolarHBondContact OD2-NZ 3.17Å
95K94.8Very high94.3Very high28 Ų2838.7 Ų38.712%0.12222%0.215CC..Hα-helixtrans-61-46.4177-179.664.8178.3-179.90111.1C49 D51 M54 V91 I92 E99 L102C49-K95 HydrophobicContact CB-CG 4.3Å; C49-K95 WeakPolarHBondContact O-CE 3.25Å; D51-K95 IonicContact OD1-NZ 3.2Å; D51-K95 PolarHBondContact OD1-NZ 3.48Å; M54-K95 HydrophobicContact CE-CB 4.4Å; M54-K95 HydrophobicContact CE-CG 4.05Å; M54-K95 HydrophobicContact CG-CD 4.42Å; M54-K95 HydrophobicContact CG-CG 3.58Å; M54-K95 HydrophobicContact SD-CG 3.94Å; V91-K95 WeakPolarHBondContact O-CB 3.42Å; V91-K95 PolarHBondContact O-N 2.98Å; I92-K95 PolarHBondContact O-N 3.41Å; K95-E99 VanDerWaalsContact CE-CD 3.49Å; K95-E99 WeakPolarHBondContact CE-OE1 3.36Å; K95-E99 WeakPolarHBondContact CE-OE2 3.22Å; K95-E99 IonicContact NZ-OE1 2.68Å; K95-E99 PolarHBondContact NZ-OE1 2.68Å; K95-E99 IonicContact NZ-OE2 2.77Å; K95-E99 PolarHBondContact NZ-OE2 3.32Å; K95-E99 WeakPolarHBondContact O-CB 3.38Å; K95-E99 WeakPolarHBondContact O-CG 3.41Å; K95-L102 HydrophobicContact CG-CD1 4.42Å
96L95.3Very high94.2Very high0 Ų038.8 Ų38.80%022%0.215CC..Hα-helixtrans-72.2-40.8-177.4-172.459.4000113.2M54 V58 L85 I92 L102 L106 T127 L131M54-L96 HydrophobicContact CE-CB 3.83Å; M54-L96 HydrophobicContact CE-CD1 4.06Å; M54-L96 HydrophobicContact CE-CG 4.43Å; V58-L96 HydrophobicContact CG2-CD1 3.72Å; L85-L96 HydrophobicContact CB-CD2 4.26Å; L85-L96 HydrophobicContact CD2-CD1 4.38Å; L85-L96 HydrophobicContact CD2-CD2 3.9Å; I92-L96 VanDerWaalsContact O-CB 3.28Å; I92-L96 WeakPolarHBondContact O-CB 3.2Å; I92-L96 PolarHBondContact O-N 3.31Å; L96-L102 HydrophobicContact CD1-CB 3.94Å; L96-L102 HydrophobicContact CD1-CD1 4.2Å; L96-L106 HydrophobicContact CD1-CD1 4.16Å; L96-T127 HydrophobicContact CD2-CG2 3.97Å; L96-L131 HydrophobicContact CB-CD2 4.17Å; L96-L131 HydrophobicContact CD2-CD1 3.8Å; L96-L131 HydrophobicContact CD2-CD2 3.97Å; L96-L131 HydrophobicContact CD2-CG 4.13Å; L96-L131 HydrophobicContact CG-CD1 3.84Å; L96-L131 HydrophobicContact CG-CD2 3.95Å; L96-L131 HydrophobicContact CG-CG 4.4Å
97G93.9Very high94.3Very high1 Ų138.6 Ų38.61%0.0121%0.213CC..Hα-helixtrans-85.2-22.4-175.700000115.8N93 Q138N93-G97 PolarHBondContact O-N 3.49Å; G97-Q138 WeakPolarHBondContact O-CB 3.3Å
98N93.7Very high94.5Very high90 Ų9040.3 Ų40.348%0.48123%0.227SC..Hα-helixtrans-93.8-18.3178.3-65.4-67.9000113.6D94D94-N98 WeakPolarHBondContact CA-ND2 3.29Å; D94-N98 VanDerWaalsContact O-CB 3.25Å; D94-N98 WeakPolarHBondContact O-CB 3.41Å; D94-N98 PolarHBondContact O-N 3.39Å; D94-N98 PolarHBondContact O-ND2 2.95Å; D94-N98 PolarHBondContact OD1-ND2 3.15Å
99E93.6Very high94.8Very high67 Ų6736 Ų3631%0.31320%0.204SC..  trans-96.4101.9-176.8-67.9-169.4172.200112.4K95 P101 L102 L103K95-E99 VanDerWaalsContact CE-CD 3.49Å; K95-E99 WeakPolarHBondContact CE-OE1 3.36Å; K95-E99 WeakPolarHBondContact CE-OE2 3.22Å; K95-E99 IonicContact NZ-OE1 2.68Å; K95-E99 PolarHBondContact NZ-OE1 2.68Å; K95-E99 IonicContact NZ-OE2 2.77Å; K95-E99 PolarHBondContact NZ-OE2 3.32Å; K95-E99 WeakPolarHBondContact O-CB 3.38Å; K95-E99 WeakPolarHBondContact O-CG 3.41Å; E99-P101 VanDerWaalsContact C-N 3.28Å; E99-P101 VanDerWaalsContact O-N 3.14Å; E99-L102 HydrophobicContact CB-CD1 4.14Å; E99-L102 HydrophobicContact CB-CG 4.24Å; E99-L102 PolarHBondContact O-N 3.17Å; E99-L103 PolarHBondContact O-N 3.3Å
100E93.4Very high94.9Very high91 Ų9135.9 Ų35.943%0.42520%0.203SC..Hα-helixtrans-47.3-40.7178.2-158.1158.9-132.700113.4L102 L103 E104 F142 K145E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.46Å; E100-L103 PolarHBondContact O-N 3.26Å; E100-E104 VanDerWaalsContact O-CG 3.26Å; E100-E104 WeakPolarHBondContact O-CG 3.23Å; E100-E104 PolarHBondContact O-N 3.47Å; E100-F142 HydrophobicContact CG-CD2 4.05Å; E100-F142 HydrophobicContact CG-CE2 4.02Å; E100-K145 IonicContact OE1-NZ 2.72Å; E100-K145 PolarHBondContact OE1-NZ 2.84Å
101P95.3Very high95Very high81 Ų8140 Ų4053%0.52621%0.213SC..Hα-helixtrans-61.5-29.2175.5-24.835.9000115.8E99 N105E99-P101 VanDerWaalsContact C-N 3.28Å; E99-P101 VanDerWaalsContact O-N 3.14Å; P101-N105 VanDerWaalsContact O-CG 3.32Å; P101-N105 PolarHBondContact O-N 2.97Å
102L96.1Very high94.9Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-78.3-37.8176-61.8177000110.9M54 Q55 K95 L96 E99 E100 E104 N105 L106M54-L102 HydrophobicContact CB-CD1 3.74Å; M54-L102 HydrophobicContact CB-CD2 3.88Å; M54-L102 HydrophobicContact CE-CD1 4.08Å; M54-L102 HydrophobicContact CG-CD1 4.25Å; Q55-L102 HydrophobicContact CG-CD2 3.7Å; K95-L102 HydrophobicContact CG-CD1 4.42Å; L96-L102 HydrophobicContact CD1-CB 3.94Å; L96-L102 HydrophobicContact CD1-CD1 4.2Å; E99-L102 HydrophobicContact CB-CD1 4.14Å; E99-L102 HydrophobicContact CB-CG 4.24Å; E99-L102 PolarHBondContact O-N 3.17Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.46Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-N105 PolarHBondContact O-N 3.18Å; L102-L106 PolarHBondContact O-N 3.12Å
103L96.1Very high94.7Very high7 Ų744.3 Ų44.34%0.03724%0.237CC..Hα-helixtrans-65.7-35.3172.1-61.5179.9000112.1E99 E100 L106 Y107 L131 F142E99-L103 PolarHBondContact O-N 3.3Å; E100-L103 PolarHBondContact O-N 3.26Å; L103-L106 HydrophobicContact CD2-CD1 4.46Å; L103-L106 PolarHBondContact O-N 3.35Å; L103-Y107 VanDerWaalsContact O-CB 3.28Å; L103-Y107 WeakPolarHBondContact O-CB 3.46Å; L103-Y107 PolarHBondContact O-N 2.87Å; L103-L131 HydrophobicContact CD2-CD1 4.23Å; L103-F142 HydrophobicContact CB-CD1 3.96Å; L103-F142 HydrophobicContact CB-CD2 4.04Å; L103-F142 HydrophobicContact CB-CE1 3.75Å; L103-F142 HydrophobicContact CB-CE2 3.84Å; L103-F142 HydrophobicContact CB-CG 4.1Å; L103-F142 HydrophobicContact CB-CZ 3.68Å; L103-F142 HydrophobicContact CD1-CB 3.93Å; L103-F142 HydrophobicContact CD1-CD1 4.22Å; L103-F142 HydrophobicContact CD1-CD2 4.12Å; L103-F142 HydrophobicContact CD1-CG 3.83Å; L103-F142 WeakPolarHBondContact O-CZ 3.46Å
104E95.8Very high94.3Very high72 Ų7246.5 Ų46.534%0.33625%0.252SS..Hα-helixtrans-63.9-43.3171.5-69.4-70.1-173.700111.8E100 L102 L106 Y107 A108 F142 K146E100-E104 VanDerWaalsContact O-CG 3.26Å; E100-E104 WeakPolarHBondContact O-CG 3.23Å; E100-E104 PolarHBondContact O-N 3.47Å; L102-E104 VanDerWaalsContact C-N 3.34Å; E104-L106 PolarHBondContact O-N 3.49Å; E104-Y107 PolarHBondContact O-N 3.25Å; E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 2.86Å; E104-F142 HydrophobicContact CG-CE2 4.2Å; E104-F142 HydrophobicContact CG-CZ 4.38Å; E104-K146 IonicContact OE1-NZ 2.73Å; E104-K146 PolarHBondContact OE1-NZ 2.89Å; E104-K146 IonicContact OE2-NZ 3.66Å; E104-K146 PolarHBondContact OE2-NZ 3.29Å
105N94.8Very high94Very high69 Ų6948.1 Ų48.137%0.36927%0.267SS..Hα-helixtrans-63.9-39.1176-73.7-13.7000112.3V58 P101 L102V58-N105 HydrophobicContact CG1-CB 3.73Å; P101-N105 VanDerWaalsContact O-CG 3.32Å; P101-N105 PolarHBondContact O-N 2.97Å; L102-N105 PolarHBondContact O-N 3.18Å
106L95.6Very high93.8Very high1 Ų147.1 Ų47.11%0.00526%0.263CS..Hα-helixtrans-63.6-47.6171-75.3171.5000111.2V58 I61 T62 L96 L102 L103 E104 A108 F109 F124 T127 L131V58-L106 HydrophobicContact CG1-CD2 3.9Å; V58-L106 HydrophobicContact CG1-CG 3.89Å; I61-L106 HydrophobicContact CD1-CD2 4.02Å; T62-L106 HydrophobicContact CG2-CD2 4.21Å; L96-L106 HydrophobicContact CD1-CD1 4.16Å; L102-L106 PolarHBondContact O-N 3.12Å; L103-L106 HydrophobicContact CD2-CD1 4.46Å; L103-L106 PolarHBondContact O-N 3.35Å; E104-L106 PolarHBondContact O-N 3.49Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 3.37Å; L106-F109 VanDerWaalsContact O-CB 3.23Å; L106-F109 WeakPolarHBondContact O-CB 3.28Å; L106-F109 PolarHBondContact O-N 3.45Å; L106-F124 HydrophobicContact CB-CE2 4.29Å; L106-F124 HydrophobicContact CD2-CD2 4.36Å; L106-F124 VanDerWaalsContact O-CE2 3.27Å; L106-F124 WeakPolarHBondContact O-CE2 3.27Å; L106-T127 HydrophobicContact CD1-CG2 4.2Å; L106-T127 HydrophobicContact CD2-CG2 4.13Å; L106-L131 HydrophobicContact CD1-CD1 3.77Å
107Y96Very high93.6Very high18 Ų1849.5 Ų49.57%0.07128%0.276CS..Hα-helixtrans-61.5-37.5-179.7-179.8-90.2000112.7L103 E104 F109 L110 E111 F142 K146 F149 L152L103-Y107 VanDerWaalsContact O-CB 3.28Å; L103-Y107 WeakPolarHBondContact O-CB 3.46Å; L103-Y107 PolarHBondContact O-N 2.87Å; E104-Y107 PolarHBondContact O-N 3.25Å; Y107-F109 PolarHBondContact O-N 3.31Å; Y107-F109 VanDerWaalsContact O-N 3.12Å; Y107-L110 WeakPolarHBondContact O-CB 3.38Å; Y107-L110 PolarHBondContact O-N 3.18Å; Y107-E111 HydrophobicContact CD1-CG 4.35Å; Y107-E111 HydrophobicContact CE1-CG 4.02Å; Y107-E111 WeakPolarHBondContact CE1-OE1 3.26Å; Y107-F142 HydrophobicContact CD2-CE1 4.46Å; Y107-K146 HydrophobicContact CD1-CD 4.29Å; Y107-K146 HydrophobicContact CD2-CB 4.38Å; Y107-K146 HydrophobicContact CD2-CD 4.2Å; Y107-K146 HydrophobicContact CD2-CG 4.01Å; Y107-K146 HydrophobicContact CE1-CD 4.02Å; Y107-K146 HydrophobicContact CE2-CB 3.63Å; Y107-K146 HydrophobicContact CE2-CD 3.9Å; Y107-K146 HydrophobicContact CE2-CG 3.71Å; Y107-K146 HydrophobicContact CG-CD 4.39Å; Y107-F149 HydrophobicContact CD2-CD2 4.36Å; Y107-F149 HydrophobicContact CE2-CB 4.07Å; Y107-F149 HydrophobicContact CE2-CD2 4.08Å; Y107-L152 HydrophobicContact CE1-CD1 4.15Å; Y107-L152 HydrophobicContact CE2-CD1 4.38Å; Y107-L152 WeakPolarHBondContact OH-CD1 3.44Å
108A95.6Very high93.4Very high41 Ų4153.7 Ų53.734%0.33930%0.302SS..Hα-helixtrans-60.6-19.9177.900000113.9E104 L106 L110 E111E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 2.86Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 3.37Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.49Å; A108-E111 PolarHBondContact O-N 3Å
109F95.9Very high93.3Very high1 Ų152.4 Ų52.40%0.00430%0.295CS..Hα-helixtrans-59.9-41.1169.7179.7-113.3000112T62 L106 Y107 E111 Q112 L116 L120 A121 F124T62-F109 HydrophobicContact CG2-CB 3.85Å; T62-F109 HydrophobicContact CG2-CD2 4.44Å; T62-F109 HydrophobicContact CG2-CG 4.26Å; T62-F109 WeakPolarHBondContact O-CD2 3.5Å; L106-F109 VanDerWaalsContact O-CB 3.23Å; L106-F109 WeakPolarHBondContact O-CB 3.28Å; L106-F109 PolarHBondContact O-N 3.45Å; Y107-F109 PolarHBondContact O-N 3.31Å; Y107-F109 VanDerWaalsContact O-N 3.12Å; F109-E111 VanDerWaalsContact C-N 3.26Å; F109-E111 PolarHBondContact O-N 3.48Å; F109-Q112 VanDerWaalsContact O-CB 3.28Å; F109-Q112 WeakPolarHBondContact O-CB 3.44Å; F109-Q112 VanDerWaalsContact O-CG 3.28Å; F109-Q112 WeakPolarHBondContact O-CG 3.42Å; F109-Q112 PolarHBondContact O-N 2.89Å; F109-L116 HydrophobicContact CD1-CD1 4.34Å; F109-L116 HydrophobicContact CE1-CD1 3.68Å; F109-L116 HydrophobicContact CE1-CD2 4.44Å; F109-L116 HydrophobicContact CE2-CD2 4.29Å; F109-L116 HydrophobicContact CZ-CB 4.23Å; F109-L116 HydrophobicContact CZ-CD1 3.98Å; F109-L116 HydrophobicContact CZ-CD2 4.14Å; F109-L116 HydrophobicContact CZ-CG 4.34Å; F109-L120 HydrophobicContact CE2-CB 3.76Å; F109-L120 HydrophobicContact CZ-CB 3.83Å; F109-A121 HydrophobicContact CE1-CB 4.19Å; F109-A121 HydrophobicContact CZ-CB 4.17Å; F109-F124 HydrophobicContact CB-CD2 4.25Å; F109-F124 HydrophobicContact CD1-CB 3.69Å; F109-F124 HydrophobicContact CD1-CD1 4.09Å; F109-F124 AromaticContact CD1-CD2 3.69Å; F109-F124 HydrophobicContact CD1-CD2 3.69Å; F109-F124 HydrophobicContact CD1-CE2 4.38Å; F109-F124 AromaticContact CD1-CG 3.53Å; F109-F124 HydrophobicContact CD1-CG 3.53Å; F109-F124 HydrophobicContact CE1-CB 3.68Å; F109-F124 HydrophobicContact CE1-CD1 4.32Å; F109-F124 AromaticContact CE1-CG 3.92Å; F109-F124 HydrophobicContact CE1-CG 3.92Å; F109-F124 HydrophobicContact CG-CD2 4.31Å
110L95.6Very high93.2Very high1 Ų149.4 Ų49.41%0.00528%0.281CS..Hα-helixtrans-70.7-22.2178.9-59.5178.7000112.7Y107 A108 Q112 F124 F149 L152 V153 K155 H156 M162Y107-L110 WeakPolarHBondContact O-CB 3.38Å; Y107-L110 PolarHBondContact O-N 3.18Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.49Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 3.29Å; L110-F124 HydrophobicContact CD1-CE1 4.29Å; L110-F124 HydrophobicContact CD1-CZ 3.83Å; L110-F124 HydrophobicContact CD2-CD1 4.41Å; L110-F124 HydrophobicContact CD2-CE1 3.77Å; L110-F124 HydrophobicContact CD2-CZ 3.95Å; L110-F124 HydrophobicContact CG-CE1 4.18Å; L110-F124 HydrophobicContact CG-CE2 4.41Å; L110-F124 HydrophobicContact CG-CZ 3.82Å; L110-F149 HydrophobicContact CD1-CD2 3.94Å; L110-F149 HydrophobicContact CD1-CE2 3.79Å; L110-L152 HydrophobicContact CB-CB 3.84Å; L110-L152 HydrophobicContact CB-CD1 4.02Å; L110-V153 HydrophobicContact CD1-CG2 3.99Å; L110-K155 PolarHBondContact O-NZ 3.06Å; L110-H156 PolarHBondContact O-CD2 2.83Å; L110-H156 PolarHBondContact O-NE2 3.22Å; L110-M162 HydrophobicContact CD2-CE 4.26Å; L110-M162 HydrophobicContact CD2-SD 3.66Å
111E94.8Very high93.3Very high121 Ų12145.1 Ų45.157%0.56526%0.261SS*.Hα-helixtrans-73.2-20.2177.3-59.8-164.814100112.9Y107 A108 F109 L152 K155Y107-E111 HydrophobicContact CD1-CG 4.35Å; Y107-E111 HydrophobicContact CE1-CG 4.02Å; Y107-E111 WeakPolarHBondContact CE1-OE1 3.26Å; A108-E111 PolarHBondContact O-N 3Å; F109-E111 VanDerWaalsContact C-N 3.26Å; F109-E111 PolarHBondContact O-N 3.48Å; E111-L152 HydrophobicContact CG-CD1 3.86Å; E111-K155 PolarHBondContact O-NZ 3.24Å
112Q92.8Very high93.3Very high64 Ų6443.8 Ų43.830%0.29925%0.254SS..SBendtrans-55.3153.7177.3-63.6-176.819.100112.6T62 F109 L110 L116 K155 H156T62-Q112 PolarHBondContact O-NE2 3.5Å; F109-Q112 VanDerWaalsContact O-CB 3.28Å; F109-Q112 WeakPolarHBondContact O-CB 3.44Å; F109-Q112 VanDerWaalsContact O-CG 3.28Å; F109-Q112 WeakPolarHBondContact O-CG 3.42Å; F109-Q112 PolarHBondContact O-N 2.89Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 3.29Å; Q112-L116 HydrophobicContact CB-CD2 3.96Å; Q112-K155 PolarHBondContact O-NZ 2.86Å; Q112-H156 PolarHBondContact O-CE1 2.85Å; Q112-H156 PolarHBondContact O-NE2 2.94Å
113P91.1Very high93.3Very high109 Ų10944.5 Ų44.571%0.70826%0.257SS*.PPolyproline II helixtrans-57.7152.9174.525.8-35.4000112
114S85.9Confident93.3Very high46 Ų4644.4 Ų44.432%0.32226%0.256SS..SBendtrans-87.1146.9170.9171.30000109.2H156 D158 R207S114-H156 WeakPolarHBondContact CB-ND1 3.32Å; S114-D158 PolarHBondContact OG-OD2 3Å; S114-R207 PolarHBondContact OG-NH2 2.84Å; S114-R207 VanDerWaalsContact OG-NH2 3.15Å
115P87.8Confident93.3Very high102 Ų10241 Ų4166%0.66224%0.241SC*.SBendcis-74155.2-4.432.5-36000112.5
116L91.1Very high93.4Very high8 Ų841.1 Ų41.14%0.04224%0.238CC..PPolyproline II helixtrans-76.8160.2167.3-66176.5000110.5F109 Q112 P118 A121 H156 M162F109-L116 HydrophobicContact CD1-CD1 4.34Å; F109-L116 HydrophobicContact CE1-CD1 3.68Å; F109-L116 HydrophobicContact CE1-CD2 4.44Å; F109-L116 HydrophobicContact CE2-CD2 4.29Å; F109-L116 HydrophobicContact CZ-CB 4.23Å; F109-L116 HydrophobicContact CZ-CD1 3.98Å; F109-L116 HydrophobicContact CZ-CD2 4.14Å; F109-L116 HydrophobicContact CZ-CG 4.34Å; Q112-L116 HydrophobicContact CB-CD2 3.96Å; L116-P118 WeakPolarHBondContact O-CD 3.3Å; L116-A121 HydrophobicContact CB-CB 4.44Å; L116-H156 HydrophobicContact CD1-CB 3.74Å; L116-H156 HydrophobicContact CG-CB 4.13Å; L116-M162 HydrophobicContact CD1-CE 4.46Å; L116-M162 HydrophobicContact CD1-SD 4.48Å
117N90.1Very high93.4Very high50 Ų5041.1 Ų41.127%0.26724%0.238SC..PPolyproline II helixtrans-69.2119.7167.7-175.2-61.1000109.5E64 L119 L120 A121E64-N117 HydrophobicContact CG-CB 4.42Å; E64-N117 PolarHBondContact OE1-ND2 3.2Å; N117-L119 VanDerWaalsContact C-N 3.27Å; N117-L119 PolarHBondContact O-N 3.32Å; N117-L119 PolarHBondContact OD1-N 2.88Å; N117-L119 VanDerWaalsContact OD1-N 3.11Å; N117-L120 HydrophobicContact CB-CB 4.18Å; N117-L120 HydrophobicContact CB-CD1 4.17Å; N117-L120 HydrophobicContact CB-CG 4.07Å; N117-L120 PolarHBondContact O-N 3.43Å; N117-L120 PolarHBondContact OD1-N 3.3Å; N117-A121 WeakPolarHBondContact O-CB 3.44Å; N117-A121 PolarHBondContact O-N 3.01Å
118P91.5Very high93.4Very high88 Ų8840.6 Ų40.657%0.57124%0.236SC*.Hα-helixtrans-60.4-32.3-172.9-27.836.7000114.6L116 A121 S122 T159L116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-A121 PolarHBondContact O-N 3.28Å; P118-S122 PolarHBondContact O-N 2.92Å; P118-T159 HydrophobicContact CB-CG2 4.28Å
119L90.4Very high93.4Very high63 Ų6338.6 Ų38.633%0.3322%0.22SC..Hα-helixtrans-74.3-41.3179.1-178.566.3000111.9F75 N117 A121 S122 F123F75-L119 HydrophobicContact CD1-CD2 3.57Å; F75-L119 HydrophobicContact CE1-CD2 3.86Å; N117-L119 VanDerWaalsContact C-N 3.27Å; N117-L119 PolarHBondContact O-N 3.32Å; N117-L119 PolarHBondContact OD1-N 2.88Å; N117-L119 VanDerWaalsContact OD1-N 3.11Å; L119-A121 VanDerWaalsContact C-N 3.27Å; L119-A121 PolarHBondContact O-N 2.74Å; L119-S122 PolarHBondContact O-N 3.28Å; L119-S122 PolarHBondContact O-OG 2.97Å; L119-F123 HydrophobicContact CD1-CE1 4.12Å; L119-F123 HydrophobicContact CD1-CE2 3.94Å; L119-F123 HydrophobicContact CD1-CZ 3.61Å; L119-F123 HydrophobicContact CD2-CE2 4.05Å; L119-F123 HydrophobicContact CD2-CZ 4.25Å; L119-F123 HydrophobicContact CG-CD2 4.29Å; L119-F123 HydrophobicContact CG-CE2 3.59Å; L119-F123 HydrophobicContact CG-CZ 3.81Å; L119-F123 VanDerWaalsContact O-CD2 3.28Å; L119-F123 WeakPolarHBondContact O-CD2 3.47Å; L119-F123 WeakPolarHBondContact O-CG 3.28Å; L119-F123 PolarHBondContact O-N 3.33Å; L119-F123 VanDerWaalsContact O-N 3.1Å
120L92.5Very high93.3Very high5 Ų539.5 Ų39.53%0.02623%0.225CC..Hα-helixtrans-68.2-32.8173.6-58.8-173.6000111.1E64 F109 N117 F123 F124E64-L120 HydrophobicContact CG-CD1 3.89Å; F109-L120 HydrophobicContact CE2-CB 3.76Å; F109-L120 HydrophobicContact CZ-CB 3.83Å; N117-L120 HydrophobicContact CB-CB 4.18Å; N117-L120 HydrophobicContact CB-CD1 4.17Å; N117-L120 HydrophobicContact CB-CG 4.07Å; N117-L120 PolarHBondContact O-N 3.43Å; N117-L120 PolarHBondContact OD1-N 3.3Å; L120-F123 HydrophobicContact CD2-CD2 4.15Å; L120-F123 PolarHBondContact O-N 2.83Å; L120-F124 VanDerWaalsContact O-CB 3.32Å; L120-F124 WeakPolarHBondContact O-CB 3.43Å; L120-F124 PolarHBondContact O-N 3.12Å
121A94.9Very high93.3Very high0 Ų039.5 Ų39.50%022%0.224CC..Hα-helixtrans-66.6-38.2174.800000112.8F109 L116 N117 P118 L119 F124 S125 T159 A161 M162F109-A121 HydrophobicContact CE1-CB 4.19Å; F109-A121 HydrophobicContact CZ-CB 4.17Å; L116-A121 HydrophobicContact CB-CB 4.44Å; N117-A121 WeakPolarHBondContact O-CB 3.44Å; N117-A121 PolarHBondContact O-N 3.01Å; P118-A121 PolarHBondContact O-N 3.28Å; L119-A121 VanDerWaalsContact C-N 3.27Å; L119-A121 PolarHBondContact O-N 2.74Å; A121-F124 PolarHBondContact O-N 3.19Å; A121-S125 WeakPolarHBondContact O-CB 3.38Å; A121-S125 PolarHBondContact O-N 2.69Å; A121-T159 HydrophobicContact CB-CG2 3.67Å; A121-A161 HydrophobicContact CB-CB 4.04Å; A121-A161 WeakPolarHBondContact O-CB 3.49Å; A121-M162 HydrophobicContact CB-CE 4.33Å
122S95.3Very high93.3Very high53 Ų5333.7 Ų33.737%0.37120%0.198SC..Hα-helixtrans-68.9-39.9173.364.70000112.2P118 L119 S125 K126P118-S122 PolarHBondContact O-N 2.92Å; L119-S122 PolarHBondContact O-N 3.28Å; L119-S122 PolarHBondContact O-OG 2.97Å; S122-S125 PolarHBondContact O-N 3.49Å; S122-K126 WeakPolarHBondContact O-CB 3.24Å; S122-K126 PolarHBondContact O-N 2.86Å
123F95.3Very high93.3Very high16 Ų1632.2 Ų32.27%0.0720%0.196CC..Hα-helixtrans-63.1-42.4172.3-61.8-35.4000112.6I61 P78 N79 C82 L119 L120 T127I61-F123 HydrophobicContact CB-CB 3.94Å; I61-F123 HydrophobicContact CG2-CB 4.06Å; I61-F123 HydrophobicContact CG2-CD2 4.41Å; I61-F123 HydrophobicContact CG2-CG 4.41Å; P78-F123 HydrophobicContact CB-CD2 4.06Å; P78-F123 HydrophobicContact CB-CE2 3.6Å; N79-F123 HydrophobicContact CB-CE1 4.38Å; N79-F123 HydrophobicContact CB-CZ 3.98Å; C82-F123 HydrophobicContact CB-CB 4.02Å; C82-F123 HydrophobicContact CB-CD1 3.52Å; C82-F123 HydrophobicContact CB-CE1 4.13Å; C82-F123 HydrophobicContact CB-CG 3.84Å; L119-F123 HydrophobicContact CD1-CE1 4.12Å; L119-F123 HydrophobicContact CD1-CE2 3.94Å; L119-F123 HydrophobicContact CD1-CZ 3.61Å; L119-F123 HydrophobicContact CD2-CE2 4.05Å; L119-F123 HydrophobicContact CD2-CZ 4.25Å; L119-F123 HydrophobicContact CG-CD2 4.29Å; L119-F123 HydrophobicContact CG-CE2 3.59Å; L119-F123 HydrophobicContact CG-CZ 3.81Å; L119-F123 VanDerWaalsContact O-CD2 3.28Å; L119-F123 WeakPolarHBondContact O-CD2 3.47Å; L119-F123 WeakPolarHBondContact O-CG 3.28Å; L119-F123 PolarHBondContact O-N 3.33Å; L119-F123 VanDerWaalsContact O-N 3.1Å; L120-F123 HydrophobicContact CD2-CD2 4.15Å; L120-F123 PolarHBondContact O-N 2.83Å; F123-T127 VanDerWaalsContact O-CB 3.3Å; F123-T127 WeakPolarHBondContact O-CB 3.19Å; F123-T127 PolarHBondContact O-N 3.22Å; F123-T127 PolarHBondContact O-OG1 3.29Å
124F96.7Very high93.4Very high4 Ų432.9 Ų32.92%0.01818%0.184CC..Hα-helixtrans-59-47.2172.6170.6-92.4000111.1L106 F109 L110 L120 A121 T127 I128 M162 V165L106-F124 HydrophobicContact CB-CE2 4.29Å; L106-F124 HydrophobicContact CD2-CD2 4.36Å; L106-F124 VanDerWaalsContact O-CE2 3.27Å; L106-F124 WeakPolarHBondContact O-CE2 3.27Å; F109-F124 HydrophobicContact CB-CD2 4.25Å; F109-F124 HydrophobicContact CD1-CB 3.69Å; F109-F124 HydrophobicContact CD1-CD1 4.09Å; F109-F124 AromaticContact CD1-CD2 3.69Å; F109-F124 HydrophobicContact CD1-CD2 3.69Å; F109-F124 HydrophobicContact CD1-CE2 4.38Å; F109-F124 AromaticContact CD1-CG 3.53Å; F109-F124 HydrophobicContact CD1-CG 3.53Å; F109-F124 HydrophobicContact CE1-CB 3.68Å; F109-F124 HydrophobicContact CE1-CD1 4.32Å; F109-F124 AromaticContact CE1-CG 3.92Å; F109-F124 HydrophobicContact CE1-CG 3.92Å; F109-F124 HydrophobicContact CG-CD2 4.31Å; L110-F124 HydrophobicContact CD1-CE1 4.29Å; L110-F124 HydrophobicContact CD1-CZ 3.83Å; L110-F124 HydrophobicContact CD2-CD1 4.41Å; L110-F124 HydrophobicContact CD2-CE1 3.77Å; L110-F124 HydrophobicContact CD2-CZ 3.95Å; L110-F124 HydrophobicContact CG-CE1 4.18Å; L110-F124 HydrophobicContact CG-CE2 4.41Å; L110-F124 HydrophobicContact CG-CZ 3.82Å; L120-F124 VanDerWaalsContact O-CB 3.32Å; L120-F124 WeakPolarHBondContact O-CB 3.43Å; L120-F124 PolarHBondContact O-N 3.12Å; A121-F124 PolarHBondContact O-N 3.19Å; F124-T127 PolarHBondContact O-N 2.95Å; F124-I128 HydrophobicContact CD1-CG2 4.29Å; F124-I128 HydrophobicContact CE1-CG2 3.88Å; F124-I128 HydrophobicContact CZ-CB 4.3Å; F124-I128 HydrophobicContact CZ-CG2 4.13Å; F124-I128 WeakPolarHBondContact O-CG2 3.49Å; F124-I128 PolarHBondContact O-N 3.36Å; F124-M162 HydrophobicContact CD1-CE 3.84Å; F124-M162 HydrophobicContact CE1-CE 4.14Å; F124-V165 HydrophobicContact CD1-CG2 4.37Å; F124-V165 HydrophobicContact CE1-CG2 4.04Å
125S96.6Very high93.8Very high1 Ų132.2 Ų32.21%0.00718%0.176CC..Hα-helixtrans-64.1-46180-163.90000112.4A121 S122 T127 G129 A161 D164 V165A121-S125 WeakPolarHBondContact O-CB 3.38Å; A121-S125 PolarHBondContact O-N 2.69Å; S122-S125 PolarHBondContact O-N 3.49Å; S125-T127 VanDerWaalsContact C-N 3.26Å; S125-T127 PolarHBondContact O-N 2.77Å; S125-G129 WeakPolarHBondContact O-CA 3.39Å; S125-G129 PolarHBondContact O-N 3.37Å; S125-A161 WeakPolarHBondContact CB-O 3.35Å; S125-A161 PolarHBondContact OG-O 3.18Å; S125-A161 VanDerWaalsContact OG-O 3.07Å; S125-D164 WeakPolarHBondContact CB-OD2 3.31Å; S125-D164 WeakPolarHBondContact OG-CB 3.49Å; S125-D164 VanDerWaalsContact OG-CG 3.26Å; S125-D164 PolarHBondContact OG-OD2 2.9Å; S125-V165 VanDerWaalsContact OG-CG2 3.28Å; S125-V165 WeakPolarHBondContact OG-CG2 3.45Å
126K95.9Very high94Very high72 Ų7228 Ų2831%0.31315%0.148SC..Hα-helixtrans-58.1-41.4175.3-158.9-178.7-178.8171.40111E83 T86 S122 N130E83-K126 IonicContact OE1-NZ 2.81Å; E83-K126 PolarHBondContact OE1-NZ 3.37Å; T86-K126 HydrophobicContact CG2-CB 4.16Å; T86-K126 HydrophobicContact CG2-CD 4.29Å; T86-K126 HydrophobicContact CG2-CG 3.86Å; S122-K126 WeakPolarHBondContact O-CB 3.24Å; S122-K126 PolarHBondContact O-N 2.86Å; K126-N130 VanDerWaalsContact O-CB 3.3Å; K126-N130 WeakPolarHBondContact O-CB 3.38Å; K126-N130 PolarHBondContact O-N 3.17Å
127T96.6Very high94.1Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-68.7-55.2178.7-55.60000112.8I61 L85 L96 L106 F123 F124 S125 G129 N130 L131I61-T127 HydrophobicContact CD1-CG2 4Å; I61-T127 VanDerWaalsContact CD1-OG1 3.25Å; I61-T127 WeakPolarHBondContact CD1-OG1 3.34Å; L85-T127 HydrophobicContact CB-CG2 4.26Å; L96-T127 HydrophobicContact CD2-CG2 3.97Å; L106-T127 HydrophobicContact CD1-CG2 4.2Å; L106-T127 HydrophobicContact CD2-CG2 4.13Å; F123-T127 VanDerWaalsContact O-CB 3.3Å; F123-T127 WeakPolarHBondContact O-CB 3.19Å; F123-T127 PolarHBondContact O-N 3.22Å; F123-T127 PolarHBondContact O-OG1 3.29Å; F124-T127 PolarHBondContact O-N 2.95Å; S125-T127 VanDerWaalsContact C-N 3.26Å; S125-T127 PolarHBondContact O-N 2.77Å; T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 3.09Å; T127-N130 PolarHBondContact O-N 3.33Å; T127-L131 HydrophobicContact CG2-CD1 4.27Å; T127-L131 WeakPolarHBondContact O-CG 3.17Å; T127-L131 PolarHBondContact O-N 2.86Å
128I95.8Very high94.3Very high7 Ų734.9 Ų34.94%0.03618%0.178CC..Hα-helixtrans-68-33.1-178.9-162.162.2000111.5F124 L131 I132 V139 V165F124-I128 HydrophobicContact CD1-CG2 4.29Å; F124-I128 HydrophobicContact CE1-CG2 3.88Å; F124-I128 HydrophobicContact CZ-CB 4.3Å; F124-I128 HydrophobicContact CZ-CG2 4.13Å; F124-I128 WeakPolarHBondContact O-CG2 3.49Å; F124-I128 PolarHBondContact O-N 3.36Å; I128-L131 HydrophobicContact CD1-CD1 4.3Å; I128-L131 WeakPolarHBondContact O-CB 3.43Å; I128-L131 PolarHBondContact O-N 2.91Å; I128-I132 HydrophobicContact CG1-CD1 4.37Å; I128-I132 WeakPolarHBondContact O-CD1 3.42Å; I128-I132 VanDerWaalsContact O-CG1 3.24Å; I128-I132 WeakPolarHBondContact O-CG1 3.21Å; I128-I132 PolarHBondContact O-N 2.82Å; I128-V139 HydrophobicContact CD1-CG1 4.01Å; I128-V165 HydrophobicContact CG2-CG1 4.19Å; I128-V165 HydrophobicContact CG2-CG2 3.8Å
129G94.8Very high94.5Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-65.7-43.4174.700000113.3S125 T127 L131 I132 A133S125-G129 WeakPolarHBondContact O-CA 3.39Å; S125-G129 PolarHBondContact O-N 3.37Å; T127-G129 VanDerWaalsContact C-N 3.3Å; T127-G129 PolarHBondContact O-N 3.09Å; G129-L131 VanDerWaalsContact C-N 3.33Å; G129-I132 PolarHBondContact O-N 3.46Å; G129-A133 PolarHBondContact O-N 3Å; G129-A133 VanDerWaalsContact O-N 3.15Å
130N95Very high94.7Very high20 Ų2027.7 Ų27.711%0.10714%0.136CC..Hα-helixtrans-60.2-43.6170173.251000111.2L85 T86 N93 K126 T127 I132 A133 R134L85-N130 PolarHBondContact O-ND2 3.01Å; T86-N130 HydrophobicContact CG2-CB 4.41Å; N93-N130 PolarHBondContact OD1-ND2 3.29Å; K126-N130 VanDerWaalsContact O-CB 3.3Å; K126-N130 WeakPolarHBondContact O-CB 3.38Å; K126-N130 PolarHBondContact O-N 3.17Å; T127-N130 PolarHBondContact O-N 3.33Å; N130-I132 PolarHBondContact O-N 3.07Å; N130-A133 PolarHBondContact O-N 3.03Å; N130-R134 WeakPolarHBondContact O-CB 3.47Å; N130-R134 WeakPolarHBondContact O-CG 3.5Å; N130-R134 PolarHBondContact O-N 3.39Å; N130-R134 WeakPolarHBondContact OD1-CG 3.44Å
131L95.3Very high94.8Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-63.7-38.7176.8-73.2171.4000113L96 L103 L106 T127 I128 G129 A133 R134 K135 V139L96-L131 HydrophobicContact CB-CD2 4.17Å; L96-L131 HydrophobicContact CD2-CD1 3.8Å; L96-L131 HydrophobicContact CD2-CD2 3.97Å; L96-L131 HydrophobicContact CD2-CG 4.13Å; L96-L131 HydrophobicContact CG-CD1 3.84Å; L96-L131 HydrophobicContact CG-CD2 3.95Å; L96-L131 HydrophobicContact CG-CG 4.4Å; L103-L131 HydrophobicContact CD2-CD1 4.23Å; L106-L131 HydrophobicContact CD1-CD1 3.77Å; T127-L131 HydrophobicContact CG2-CD1 4.27Å; T127-L131 WeakPolarHBondContact O-CG 3.17Å; T127-L131 PolarHBondContact O-N 2.86Å; I128-L131 HydrophobicContact CD1-CD1 4.3Å; I128-L131 WeakPolarHBondContact O-CB 3.43Å; I128-L131 PolarHBondContact O-N 2.91Å; G129-L131 VanDerWaalsContact C-N 3.33Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.22Å; L131-R134 PolarHBondContact O-N 3.15Å; L131-K135 HydrophobicContact CD2-CG 4.42Å; L131-K135 CarbonylContact O-C 3.45Å; L131-K135 VanDerWaalsContact O-CA 3.32Å; L131-K135 WeakPolarHBondContact O-CA 3.23Å; L131-K135 PolarHBondContact O-N 3.16Å; L131-V139 HydrophobicContact CB-CG2 3.84Å
132I94.8Very high94.8Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-60.9-42.1173.6-70.5157.6000110.7I128 G129 N130 T136 V139 L169 C172 V173I128-I132 HydrophobicContact CG1-CD1 4.37Å; I128-I132 WeakPolarHBondContact O-CD1 3.42Å; I128-I132 VanDerWaalsContact O-CG1 3.24Å; I128-I132 WeakPolarHBondContact O-CG1 3.21Å; I128-I132 PolarHBondContact O-N 2.82Å; G129-I132 PolarHBondContact O-N 3.46Å; N130-I132 PolarHBondContact O-N 3.07Å; I132-T136 VanDerWaalsContact O-CA 3.25Å; I132-T136 WeakPolarHBondContact O-CA 3.26Å; I132-T136 VanDerWaalsContact O-CB 3.25Å; I132-T136 WeakPolarHBondContact O-CB 3.4Å; I132-T136 WeakPolarHBondContact O-CG2 3.18Å; I132-T136 PolarHBondContact O-OG1 3.48Å; I132-V139 HydrophobicContact CG1-CG1 3.89Å; I132-L169 HydrophobicContact CD1-CD2 3.56Å; I132-L169 HydrophobicContact CD1-CG 3.8Å; I132-L169 HydrophobicContact CG1-CD2 3.99Å; I132-C172 HydrophobicContact CG2-CB 4.17Å; I132-V173 HydrophobicContact CG2-CG2 4.25Å
133A92.6Very high94.8Very high32 Ų3228.6 Ų28.626%0.26414%0.141SC..Hα-helixtrans-71.5-42.6177.900000113.2G129 N130 L131 T136 C172G129-A133 PolarHBondContact O-N 3Å; G129-A133 VanDerWaalsContact O-N 3.15Å; N130-A133 PolarHBondContact O-N 3.03Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.22Å; A133-T136 PolarHBondContact O-OG1 2.76Å; A133-C172 HydrophobicContact CB-CB 4.36Å
134R92.5Very high94.8Very high124 Ų12432.3 Ų32.347%0.46816%0.155SC..Hα-helixtrans-99.3-13.9-169.9-55.2-53.7-174.61227.4115.3D88 N130 L131D88-R134 VanDerWaalsContact CG-CZ 3.41Å; D88-R134 VanDerWaalsContact CG-NH2 3.28Å; D88-R134 IonicContact OD1-CZ 2.64Å; D88-R134 VanDerWaalsContact OD1-CZ 3.32Å; D88-R134 IonicContact OD1-NH1 3.05Å; D88-R134 PolarHBondContact OD1-NH1 3.13Å; D88-R134 IonicContact OD1-NH2 2.7Å; D88-R134 IonicContact OD2-CZ 3.07Å; D88-R134 IonicContact OD2-NH1 2.96Å; D88-R134 PolarHBondContact OD2-NH1 3.27Å; D88-R134 IonicContact OD2-NH2 2.71Å; D88-R134 PolarHBondContact OD2-NH2 2.96Å; N130-R134 WeakPolarHBondContact O-CB 3.47Å; N130-R134 WeakPolarHBondContact O-CG 3.5Å; N130-R134 PolarHBondContact O-N 3.39Å; N130-R134 WeakPolarHBondContact OD1-CG 3.44Å; L131-R134 PolarHBondContact O-N 3.15Å
135K93.9Very high94.6Very high31 Ų3137.9 Ų37.914%0.13518%0.179CC..SBendtrans-141.441.6-178.9-58.9-65.3158.8-1730111.6N93 D94 L131 E137 Q138 V139N93-K135 WeakPolarHBondContact O-CG 3.28Å; D94-K135 WeakPolarHBondContact OD1-CE 3.5Å; D94-K135 IonicContact OD1-NZ 2.88Å; D94-K135 PolarHBondContact OD1-NZ 2.79Å; D94-K135 IonicContact OD2-NZ 2.85Å; D94-K135 PolarHBondContact OD2-NZ 3.17Å; L131-K135 HydrophobicContact CD2-CG 4.42Å; L131-K135 CarbonylContact O-C 3.45Å; L131-K135 VanDerWaalsContact O-CA 3.32Å; L131-K135 WeakPolarHBondContact O-CA 3.23Å; L131-K135 PolarHBondContact O-N 3.16Å; K135-E137 PolarHBondContact O-N 2.77Å; K135-Q138 PolarHBondContact O-N 3.15Å; K135-Q138 PolarHBondContact O-OE1 3.08Å; K135-V139 HydrophobicContact CB-CG2 4.02Å; K135-V139 WeakPolarHBondContact O-CB 3.38Å; K135-V139 VanDerWaalsContact O-CG2 3.26Å; K135-V139 WeakPolarHBondContact O-CG2 3.48Å; K135-V139 PolarHBondContact O-N 3.29Å
136T93.4Very high94.5Very high15 Ų1539.8 Ų39.89%0.09219%0.187CC..Hα-helixtrans-51.2-51.2-169.3-38.50000113.7I132 A133 Q138 V139 I140 V173 L178I132-T136 VanDerWaalsContact O-CA 3.25Å; I132-T136 WeakPolarHBondContact O-CA 3.26Å; I132-T136 VanDerWaalsContact O-CB 3.25Å; I132-T136 WeakPolarHBondContact O-CB 3.4Å; I132-T136 WeakPolarHBondContact O-CG2 3.18Å; I132-T136 PolarHBondContact O-OG1 3.48Å; A133-T136 PolarHBondContact O-OG1 2.76Å; T136-Q138 PolarHBondContact O-N 3.34Å; T136-V139 PolarHBondContact O-N 2.68Å; T136-I140 HydrophobicContact CG2-CG1 4.15Å; T136-I140 VanDerWaalsContact O-CB 3.24Å; T136-I140 WeakPolarHBondContact O-CB 3.48Å; T136-I140 WeakPolarHBondContact O-CG1 3.4Å; T136-I140 PolarHBondContact O-N 2.62Å; T136-V173 HydrophobicContact CG2-CB 4.09Å; T136-V173 HydrophobicContact CG2-CG1 3.73Å; T136-V173 HydrophobicContact CG2-CG2 4.06Å; T136-L178 HydrophobicContact CG2-CD2 3.79Å
137E92.7Very high94Very high129 Ų12944.7 Ų44.760%0.60321%0.211SC*.Hα-helixtrans-61.4-44.1-178.3-71-174.1172.500112.4K135 S141 L178K135-E137 PolarHBondContact O-N 2.77Å; E137-S141 WeakPolarHBondContact O-CB 3.44Å; E137-S141 PolarHBondContact O-N 2.83Å; E137-L178 HydrophobicContact CG-CD2 3.94Å
138Q94.3Very high93.7Very high72 Ų7246.1 Ų46.134%0.33623%0.226SC..Hα-helixtrans-68.4-45.7-177.1-62.871.225.900110.7G97 K135 T136 S141 F142G97-Q138 WeakPolarHBondContact O-CB 3.3Å; K135-Q138 PolarHBondContact O-N 3.15Å; K135-Q138 PolarHBondContact O-OE1 3.08Å; T136-Q138 PolarHBondContact O-N 3.34Å; Q138-S141 PolarHBondContact O-N 3.06Å; Q138-F142 WeakPolarHBondContact O-CB 3.49Å; Q138-F142 PolarHBondContact O-N 2.93Å
139V95Very high93.7Very high0 Ų045.9 Ų45.90%023%0.225CC..Hα-helixtrans-72.8-45.9-175.6177.10000111.1I128 L131 I132 K135 T136 S141 F142 L143I128-V139 HydrophobicContact CD1-CG1 4.01Å; L131-V139 HydrophobicContact CB-CG2 3.84Å; I132-V139 HydrophobicContact CG1-CG1 3.89Å; K135-V139 HydrophobicContact CB-CG2 4.02Å; K135-V139 WeakPolarHBondContact O-CB 3.38Å; K135-V139 VanDerWaalsContact O-CG2 3.26Å; K135-V139 WeakPolarHBondContact O-CG2 3.48Å; K135-V139 PolarHBondContact O-N 3.29Å; T136-V139 PolarHBondContact O-N 2.68Å; V139-S141 VanDerWaalsContact C-N 3.31Å; V139-S141 PolarHBondContact O-N 2.84Å; V139-F142 PolarHBondContact O-N 3.08Å; V139-L143 HydrophobicContact CG1-CD1 3.99Å; V139-L143 HydrophobicContact CG1-CG 4.36Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.34Å; V139-L143 PolarHBondContact O-N 3.35Å
140I94.7Very high93.7Very high1 Ų146 Ų461%0.00523%0.225CC..Hα-helixtrans-63-39174.4-63.9-62.4000110.6T136 L143 R144 L169 V173 L178 T182T136-I140 HydrophobicContact CG2-CG1 4.15Å; T136-I140 VanDerWaalsContact O-CB 3.24Å; T136-I140 WeakPolarHBondContact O-CB 3.48Å; T136-I140 WeakPolarHBondContact O-CG1 3.4Å; T136-I140 PolarHBondContact O-N 2.62Å; I140-L143 PolarHBondContact O-N 2.87Å; I140-R144 HydrophobicContact CG2-CG 4.21Å; I140-R144 VanDerWaalsContact O-CB 3.32Å; I140-R144 WeakPolarHBondContact O-CB 3.3Å; I140-R144 VanDerWaalsContact O-CG 3.25Å; I140-R144 WeakPolarHBondContact O-CG 3.44Å; I140-R144 PolarHBondContact O-N 2.66Å; I140-L169 HydrophobicContact CD1-CD2 3.45Å; I140-L169 VanDerWaalsContact CD1-CD2 3.45Å; I140-V173 HydrophobicContact CD1-CG2 4.15Å; I140-V173 HydrophobicContact CG1-CG2 4.4Å; I140-L178 HydrophobicContact CG2-CD1 4.37Å; I140-T182 HydrophobicContact CD1-CG2 3.98Å
141S94.2Very high93.8Very high66 Ų6647.3 Ų47.346%0.46224%0.236SC..Hα-helixtrans-63.5-38.9174.1-177.60000112.7E137 Q138 V139 K145E137-S141 WeakPolarHBondContact O-CB 3.44Å; E137-S141 PolarHBondContact O-N 2.83Å; Q138-S141 PolarHBondContact O-N 3.06Å; V139-S141 VanDerWaalsContact C-N 3.31Å; V139-S141 PolarHBondContact O-N 2.84Å; S141-K145 WeakPolarHBondContact O-CG 3.24Å
142F96.1Very high93.8Very high7 Ų748.7 Ų48.73%0.03124%0.243CC..Hα-helixtrans-65.9-51.1173.1174.7-98.5000111.9E100 L103 E104 Y107 Q138 V139 R144 K145 K146E100-F142 HydrophobicContact CG-CD2 4.05Å; E100-F142 HydrophobicContact CG-CE2 4.02Å; L103-F142 HydrophobicContact CB-CD1 3.96Å; L103-F142 HydrophobicContact CB-CD2 4.04Å; L103-F142 HydrophobicContact CB-CE1 3.75Å; L103-F142 HydrophobicContact CB-CE2 3.84Å; L103-F142 HydrophobicContact CB-CG 4.1Å; L103-F142 HydrophobicContact CB-CZ 3.68Å; L103-F142 HydrophobicContact CD1-CB 3.93Å; L103-F142 HydrophobicContact CD1-CD1 4.22Å; L103-F142 HydrophobicContact CD1-CD2 4.12Å; L103-F142 HydrophobicContact CD1-CG 3.83Å; L103-F142 WeakPolarHBondContact O-CZ 3.46Å; E104-F142 HydrophobicContact CG-CE2 4.2Å; E104-F142 HydrophobicContact CG-CZ 4.38Å; Y107-F142 HydrophobicContact CD2-CE1 4.46Å; Q138-F142 WeakPolarHBondContact O-CB 3.49Å; Q138-F142 PolarHBondContact O-N 2.93Å; V139-F142 PolarHBondContact O-N 3.08Å; F142-R144 VanDerWaalsContact C-N 3.35Å; F142-R144 PolarHBondContact O-N 3.08Å; F142-K145 WeakPolarHBondContact O-CB 3.25Å; F142-K145 PolarHBondContact O-N 3.15Å; F142-K145 VanDerWaalsContact O-N 3.1Å; F142-K146 HydrophobicContact CE1-CG 4.39Å; F142-K146 VanDerWaalsContact CZ-CE 3.48Å; F142-K146 HydrophobicContact CZ-CG 4.49Å
143L95.3Very high93.9Very high4 Ų448.7 Ų48.72%0.02124%0.243CC..Hα-helixtrans-64-36.4-178-65.4177.1000112.4V139 I140 K145 K146 F149 L169 W185V139-L143 HydrophobicContact CG1-CD1 3.99Å; V139-L143 HydrophobicContact CG1-CG 4.36Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.34Å; V139-L143 PolarHBondContact O-N 3.35Å; I140-L143 PolarHBondContact O-N 2.87Å; L143-K145 PolarHBondContact O-N 3.11Å; L143-K146 WeakPolarHBondContact O-CB 3.4Å; L143-K146 PolarHBondContact O-N 3.48Å; L143-F149 HydrophobicContact CD1-CE1 4.4Å; L143-F149 HydrophobicContact CD1-CE2 4.46Å; L143-F149 HydrophobicContact CD1-CZ 4.12Å; L143-F149 HydrophobicContact CD2-CD2 3.71Å; L143-F149 HydrophobicContact CD2-CE2 3.69Å; L143-F149 HydrophobicContact CD2-CG 4.18Å; L143-F149 HydrophobicContact CD2-CZ 4.16Å; L143-L169 HydrophobicContact CD1-CD2 3.95Å; L143-W185 HydrophobicContact CB-CH2 4.32Å
144R93.8Very high94Very high94 Ų9447.6 Ų47.636%0.35523%0.233SC..Hα-helixtrans-64.9-22.1174.7-74.2173.881.6-1776.9113.8I140 F142 K146 E181 W185I140-R144 HydrophobicContact CG2-CG 4.21Å; I140-R144 VanDerWaalsContact O-CB 3.32Å; I140-R144 WeakPolarHBondContact O-CB 3.3Å; I140-R144 VanDerWaalsContact O-CG 3.25Å; I140-R144 WeakPolarHBondContact O-CG 3.44Å; I140-R144 PolarHBondContact O-N 2.66Å; F142-R144 VanDerWaalsContact C-N 3.35Å; F142-R144 PolarHBondContact O-N 3.08Å; R144-K146 VanDerWaalsContact C-N 3.31Å; R144-E181 IonicContact CZ-OE2 2.73Å; R144-E181 IonicContact NH1-OE2 3.72Å; R144-E181 PolarHBondContact NH1-OE2 3.05Å; R144-E181 IonicContact NH2-OE2 3.37Å; R144-E181 PolarHBondContact NH2-OE2 3.08Å; R144-W185 HydrophobicContact CG-CD2 3.68Å; R144-W185 HydrophobicContact CG-CE3 4.06Å; R144-W185 HydrophobicContact CG-CG 3.98Å; R144-W185 HydrophobicContact CG-CH2 4.49Å; R144-W185 HydrophobicContact CG-CZ2 4.17Å; R144-W185 HydrophobicContact CG-CZ3 4.45Å
145K94.3Very high94.2Very high121 Ų12144.9 Ų44.953%0.52623%0.225SC..THydrogen-bonded Turntrans-75.6-18.4170.6-61.9161.7-176169.40112.8E100 S141 F142 L143 E147E100-K145 IonicContact OE1-NZ 2.72Å; E100-K145 PolarHBondContact OE1-NZ 2.84Å; S141-K145 WeakPolarHBondContact O-CG 3.24Å; F142-K145 WeakPolarHBondContact O-CB 3.25Å; F142-K145 PolarHBondContact O-N 3.15Å; F142-K145 VanDerWaalsContact O-N 3.1Å; L143-K145 PolarHBondContact O-N 3.11Å; K145-E147 PolarHBondContact O-N 3.07Å
146K93.7Very high94.2Very high41 Ų4143.4 Ų43.418%0.17822%0.219CC..  trans-95.782.7-172.5-62.3-71.8173.3174.10110E104 Y107 F142 L143 R144 G148 F149E104-K146 IonicContact OE1-NZ 2.73Å; E104-K146 PolarHBondContact OE1-NZ 2.89Å; E104-K146 IonicContact OE2-NZ 3.66Å; E104-K146 PolarHBondContact OE2-NZ 3.29Å; Y107-K146 HydrophobicContact CD1-CD 4.29Å; Y107-K146 HydrophobicContact CD2-CB 4.38Å; Y107-K146 HydrophobicContact CD2-CD 4.2Å; Y107-K146 HydrophobicContact CD2-CG 4.01Å; Y107-K146 HydrophobicContact CE1-CD 4.02Å; Y107-K146 HydrophobicContact CE2-CB 3.63Å; Y107-K146 HydrophobicContact CE2-CD 3.9Å; Y107-K146 HydrophobicContact CE2-CG 3.71Å; Y107-K146 HydrophobicContact CG-CD 4.39Å; F142-K146 HydrophobicContact CE1-CG 4.39Å; F142-K146 VanDerWaalsContact CZ-CE 3.48Å; F142-K146 HydrophobicContact CZ-CG 4.49Å; L143-K146 WeakPolarHBondContact O-CB 3.4Å; L143-K146 PolarHBondContact O-N 3.48Å; R144-K146 VanDerWaalsContact C-N 3.31Å; K146-G148 PolarHBondContact O-N 3.45Å; K146-F149 HydrophobicContact CB-CB 3.97Å; K146-F149 VanDerWaalsContact O-CB 3.24Å; K146-F149 WeakPolarHBondContact O-CB 3.49Å; K146-F149 PolarHBondContact O-N 3.46Å
147E85.6Confident94.3Very high174 Ų17442.7 Ų42.781%0.81321%0.214SC*.THydrogen-bonded Turntrans-51.3-28.4178.2-62.1-177.4172.100113.6K145K145-E147 PolarHBondContact O-N 3.07Å
148G90.8Very high94.2Very high31 Ų3137.2 Ų37.232%0.3219%0.189SC..THydrogen-bonded Turntrans-79.1-16.1176.200000115.9K146 L150 S151 L152K146-G148 PolarHBondContact O-N 3.45Å; G148-L150 PolarHBondContact O-N 3.13Å; G148-S151 WeakPolarHBondContact O-CA 3.35Å; G148-S151 VanDerWaalsContact O-CB 3.31Å; G148-S151 WeakPolarHBondContact O-CB 3.34Å; G148-S151 PolarHBondContact O-N 2.73Å; G148-L152 PolarHBondContact O-N 2.81Å; G148-L152 VanDerWaalsContact O-N 3.07Å
149F95.2Very high94.2Very high1 Ų134.4 Ų34.40%0.00418%0.177CC..Hα-helixtrans-52.4-59.4-164.7171.1-108.2000113.6Y107 L110 L143 K146 S151 L152 V153 V165 L169 W185Y107-F149 HydrophobicContact CD2-CD2 4.36Å; Y107-F149 HydrophobicContact CE2-CB 4.07Å; Y107-F149 HydrophobicContact CE2-CD2 4.08Å; L110-F149 HydrophobicContact CD1-CD2 3.94Å; L110-F149 HydrophobicContact CD1-CE2 3.79Å; L143-F149 HydrophobicContact CD1-CE1 4.4Å; L143-F149 HydrophobicContact CD1-CE2 4.46Å; L143-F149 HydrophobicContact CD1-CZ 4.12Å; L143-F149 HydrophobicContact CD2-CD2 3.71Å; L143-F149 HydrophobicContact CD2-CE2 3.69Å; L143-F149 HydrophobicContact CD2-CG 4.18Å; L143-F149 HydrophobicContact CD2-CZ 4.16Å; K146-F149 HydrophobicContact CB-CB 3.97Å; K146-F149 VanDerWaalsContact O-CB 3.24Å; K146-F149 WeakPolarHBondContact O-CB 3.49Å; K146-F149 PolarHBondContact O-N 3.46Å; F149-S151 PolarHBondContact O-N 3.37Å; F149-L152 PolarHBondContact O-N 3.43Å; F149-V153 HydrophobicContact CD2-CG2 4.09Å; F149-V153 HydrophobicContact CE1-CG2 4.15Å; F149-V153 HydrophobicContact CE2-CG2 3.59Å; F149-V153 HydrophobicContact CZ-CG2 3.62Å; F149-V153 PolarHBondContact O-N 3.29Å; F149-V165 HydrophobicContact CZ-CG1 4.08Å; F149-L169 HydrophobicContact CE1-CD1 3.61Å; F149-L169 HydrophobicContact CZ-CD1 3.87Å; F149-W185 AromaticContact CD1-CH2 3.93Å; F149-W185 HydrophobicContact CD1-CH2 3.93Å; F149-W185 HydrophobicContact CE1-CH2 4.36Å
150L95.4Very high94Very high2 Ų238.3 Ų38.31%0.0120%0.204CC..Hα-helixtrans-61.9-31.4-178.3179.459.6000111.9G148 L152 V153 L154 L166 Q189 L191G148-L150 PolarHBondContact O-N 3.13Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 2.84Å; L150-V153 PolarHBondContact O-N 3.38Å; L150-L154 HydrophobicContact CD1-CD1 3.9Å; L150-L154 HydrophobicContact CD1-CD2 4.35Å; L150-L154 HydrophobicContact CD1-CG 3.78Å; L150-L154 HydrophobicContact CD2-CD1 4.44Å; L150-L154 HydrophobicContact CG-CD1 3.88Å; L150-L154 HydrophobicContact CG-CG 4.2Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 VanDerWaalsContact O-CG 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 3.02Å; L150-L166 HydrophobicContact CD1-CD2 3.68Å; L150-Q189 HydrophobicContact CD2-CB 3.8Å; L150-L191 HydrophobicContact CD1-CD1 3.68Å; L150-L191 HydrophobicContact CD2-CB 4.17Å; L150-L191 HydrophobicContact CD2-CD1 4.17Å
151S95.6Very high94Very high49 Ų4938.8 Ų38.834%0.34321%0.208SC..Hα-helixtrans-69.3-27.3175.7-56.80000113.3G148 F149 K155 R194G148-S151 WeakPolarHBondContact O-CA 3.35Å; G148-S151 VanDerWaalsContact O-CB 3.31Å; G148-S151 WeakPolarHBondContact O-CB 3.34Å; G148-S151 PolarHBondContact O-N 2.73Å; F149-S151 PolarHBondContact O-N 3.37Å; S151-K155 WeakPolarHBondContact O-CB 3.42Å; S151-K155 PolarHBondContact O-N 3.02Å; S151-R194 PolarHBondContact OG-NH1 2.58Å; S151-R194 PolarHBondContact OG-NH2 3.41Å
152L96.2Very high94Very high28 Ų2835.6 Ų35.615%0.14719%0.186CC..Hα-helixtrans-81.7-39.2173.8-60.9175.1000111.9Y107 L110 E111 G148 F149 L150 K155 H156Y107-L152 HydrophobicContact CE1-CD1 4.15Å; Y107-L152 HydrophobicContact CE2-CD1 4.38Å; Y107-L152 WeakPolarHBondContact OH-CD1 3.44Å; L110-L152 HydrophobicContact CB-CB 3.84Å; L110-L152 HydrophobicContact CB-CD1 4.02Å; E111-L152 HydrophobicContact CG-CD1 3.86Å; G148-L152 PolarHBondContact O-N 2.81Å; G148-L152 VanDerWaalsContact O-N 3.07Å; F149-L152 PolarHBondContact O-N 3.43Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 2.84Å; L152-K155 HydrophobicContact CD2-CD 4.19Å; L152-K155 WeakPolarHBondContact O-CB 3.47Å; L152-K155 PolarHBondContact O-N 2.83Å; L152-H156 PolarHBondContact O-CD2 2.88Å; L152-H156 PolarHBondContact O-N 3.07Å
153V96.5Very high93.9Very high0 Ų036.2 Ų36.20%019%0.189CC..Hα-helixtrans-62.8-47.9175-179.70000110.7L110 F149 L150 K155 H156 I157 M162 L166L110-V153 HydrophobicContact CD1-CG2 3.99Å; F149-V153 HydrophobicContact CD2-CG2 4.09Å; F149-V153 HydrophobicContact CE1-CG2 4.15Å; F149-V153 HydrophobicContact CE2-CG2 3.59Å; F149-V153 HydrophobicContact CZ-CG2 3.62Å; F149-V153 PolarHBondContact O-N 3.29Å; L150-V153 PolarHBondContact O-N 3.38Å; V153-K155 VanDerWaalsContact C-N 3.28Å; V153-K155 PolarHBondContact O-N 2.91Å; V153-H156 CarbonylContact O-C 3.59Å; V153-H156 PolarHBondContact O-N 3.03Å; V153-H156 VanDerWaalsContact O-N 3.08Å; V153-I157 PolarHBondContact O-N 2.7Å; V153-I157 VanDerWaalsContact O-N 3.17Å; V153-M162 HydrophobicContact CG1-CB 3.98Å; V153-M162 HydrophobicContact CG1-SD 4.27Å; V153-L166 HydrophobicContact CG1-CD1 4.14Å; V153-L166 HydrophobicContact CG1-CD2 3.89Å; V153-L166 HydrophobicContact CG1-CG 3.79Å
154L95.8Very high93.9Very high10 Ų1038.4 Ų38.45%0.05220%0.201CC..Hα-helixtrans-68.9-21.7176.9-65.5179000113.9L150 H156 I157 L166 R194 L195 L198L150-L154 HydrophobicContact CD1-CD1 3.9Å; L150-L154 HydrophobicContact CD1-CD2 4.35Å; L150-L154 HydrophobicContact CD1-CG 3.78Å; L150-L154 HydrophobicContact CD2-CD1 4.44Å; L150-L154 HydrophobicContact CG-CD1 3.88Å; L150-L154 HydrophobicContact CG-CG 4.2Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 VanDerWaalsContact O-CG 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 3.02Å; L154-H156 VanDerWaalsContact C-N 3.27Å; L154-I157 HydrophobicContact CD2-CD1 3.98Å; L154-I157 VanDerWaalsContact O-CG2 3.29Å; L154-I157 WeakPolarHBondContact O-CG2 3.43Å; L154-L166 HydrophobicContact CD2-CD1 4.08Å; L154-R194 HydrophobicContact CD1-CB 3.66Å; L154-L195 HydrophobicContact CD2-CD2 3.61Å; L154-L195 HydrophobicContact CD2-CG 4.17Å; L154-L198 HydrophobicContact CB-CD1 4.4Å; L154-L198 HydrophobicContact CD2-CD1 4.14Å
155K94.9Very high94Very high67 Ų6733.9 Ų33.929%0.29118%0.184SC..Hα-helixtrans-69.7-25171.3160.1-167.7160.4-148.10112.1L110 E111 Q112 S151 L152 V153 R207L110-K155 PolarHBondContact O-NZ 3.06Å; E111-K155 PolarHBondContact O-NZ 3.24Å; Q112-K155 PolarHBondContact O-NZ 2.86Å; S151-K155 WeakPolarHBondContact O-CB 3.42Å; S151-K155 PolarHBondContact O-N 3.02Å; L152-K155 HydrophobicContact CD2-CD 4.19Å; L152-K155 WeakPolarHBondContact O-CB 3.47Å; L152-K155 PolarHBondContact O-N 2.83Å; V153-K155 VanDerWaalsContact C-N 3.28Å; V153-K155 PolarHBondContact O-N 2.91Å; K155-R207 PolarHBondContact O-NH1 3.44Å
156H95.1Very high94.1Very high0 Ų028.2 Ų28.20%016%0.159CC..SBendtrans-115.412.3-174.9-61-59000113.5L110 Q112 S114 L116 L152 V153 L154 D158 T159 M162L110-H156 PolarHBondContact O-CD2 2.83Å; L110-H156 PolarHBondContact O-NE2 3.22Å; Q112-H156 PolarHBondContact O-CE1 2.85Å; Q112-H156 PolarHBondContact O-NE2 2.94Å; S114-H156 WeakPolarHBondContact CB-ND1 3.32Å; L116-H156 HydrophobicContact CD1-CB 3.74Å; L116-H156 HydrophobicContact CG-CB 4.13Å; L152-H156 PolarHBondContact O-CD2 2.88Å; L152-H156 PolarHBondContact O-N 3.07Å; V153-H156 CarbonylContact O-C 3.59Å; V153-H156 PolarHBondContact O-N 3.03Å; V153-H156 VanDerWaalsContact O-N 3.08Å; L154-H156 VanDerWaalsContact C-N 3.27Å; H156-D158 WeakPolarHBondContact CA-OD1 3.37Å; H156-D158 PolarHBondContact O-N 2.76Å; H156-D158 VanDerWaalsContact O-N 3.11Å; H156-T159 PolarHBondContact O-N 2.91Å; H156-M162 HydrophobicContact CB-CG 3.83Å; H156-M162 HydrophobicContact CB-SD 4.29Å; H156-M162 VanDerWaalsContact O-CG 3.26Å; H156-M162 WeakPolarHBondContact O-CG 3.32Å
157I94.8Very high94.1Very high0 Ų027.8 Ų27.80%016%0.158CC..THydrogen-bonded Turntrans-65.6-7.9179.7-161.8169.3000114V153 L154 T159 M163 L166 L195 L198 R207 N210 A211V153-I157 PolarHBondContact O-N 2.7Å; V153-I157 VanDerWaalsContact O-N 3.17Å; L154-I157 HydrophobicContact CD2-CD1 3.98Å; L154-I157 VanDerWaalsContact O-CG2 3.29Å; L154-I157 WeakPolarHBondContact O-CG2 3.43Å; I157-T159 PolarHBondContact O-N 3.04Å; I157-M163 HydrophobicContact CG1-CG 4.29Å; I157-L166 HydrophobicContact CD1-CD1 4.47Å; I157-L195 HydrophobicContact CD1-CD2 3.57Å; I157-L198 HydrophobicContact CD1-CD1 4.47Å; I157-L198 HydrophobicContact CG2-CD1 3.88Å; I157-R207 HydrophobicContact CG2-CB 4.5Å; I157-N210 HydrophobicContact CG1-CB 4.18Å; I157-N210 VanDerWaalsContact O-CB 3.23Å; I157-N210 WeakPolarHBondContact O-CB 3.39Å; I157-N210 PolarHBondContact O-ND2 3.46Å; I157-A211 HydrophobicContact CD1-CB 4.33Å
158D91.6Very high94.6Very high14 Ų1422.3 Ų22.38%0.07513%0.13CC..THydrogen-bonded Turntrans-50.7-35.6158.238.2-63.9000111.8S114 H156 E206 R207 N210S114-D158 PolarHBondContact OG-OD2 3Å; H156-D158 WeakPolarHBondContact CA-OD1 3.37Å; H156-D158 PolarHBondContact O-N 2.76Å; H156-D158 VanDerWaalsContact O-N 3.11Å; D158-E206 WeakPolarHBondContact O-CG 3.34Å; D158-R207 HydrophobicContact CB-CG 4.09Å; D158-R207 IonicContact OD1-CZ 3.55Å; D158-R207 IonicContact OD1-NH1 2.68Å; D158-R207 PolarHBondContact OD1-NH1 2.73Å; D158-R207 IonicContact OD1-NH2 3.21Å; D158-R207 PolarHBondContact OD1-NH2 3.37Å; D158-R207 IonicContact OD2-NH2 2.73Å; D158-N210 PolarHBondContact O-ND2 3.31Å
159T92.6Very high94.7Very high13 Ų1320.8 Ų20.88%0.0812%0.115CC..SBendtrans-90.4121.9171.9-49.70000111.4P118 A121 H156 I157 A161 M162P118-T159 HydrophobicContact CB-CG2 4.28Å; A121-T159 HydrophobicContact CB-CG2 3.67Å; H156-T159 PolarHBondContact O-N 2.91Å; I157-T159 PolarHBondContact O-N 3.04Å; T159-A161 HydrophobicContact CG2-CB 4.08Å; T159-A161 PolarHBondContact O-N 3.43Å; T159-A161 VanDerWaalsContact O-N 3.08Å; T159-M162 WeakPolarHBondContact O-CB 3.47Å; T159-M162 PolarHBondContact O-N 3.11Å
160S91.1Very high94.6Very high82 Ų8220.8 Ų20.857%0.57312%0.115SC*.THydrogen-bonded Turntrans-55.1-29.1-179.1580000114.4M162 M163 D164S160-M162 PolarHBondContact O-N 3.18Å; S160-M162 VanDerWaalsContact O-N 3.15Å; S160-M163 WeakPolarHBondContact O-CA 3.44Å; S160-M163 WeakPolarHBondContact O-CB 3.36Å; S160-M163 WeakPolarHBondContact O-CG 3.45Å; S160-M163 PolarHBondContact O-N 3.43Å; S160-D164 PolarHBondContact O-N 2.93Å
161A94.4Very high94.4Very high10 Ų1022.8 Ų22.88%0.08313%0.129CC..Hα-helixtrans-56.6-27.6173.500000113.5A121 S125 T159 M163 D164 V165A121-A161 HydrophobicContact CB-CB 4.04Å; A121-A161 WeakPolarHBondContact O-CB 3.49Å; S125-A161 WeakPolarHBondContact CB-O 3.35Å; S125-A161 PolarHBondContact OG-O 3.18Å; S125-A161 VanDerWaalsContact OG-O 3.07Å; T159-A161 HydrophobicContact CG2-CB 4.08Å; T159-A161 PolarHBondContact O-N 3.43Å; T159-A161 VanDerWaalsContact O-N 3.08Å; A161-M163 VanDerWaalsContact C-N 3.28Å; A161-M163 PolarHBondContact O-N 3.29Å; A161-D164 PolarHBondContact O-N 3.14Å; A161-V165 WeakPolarHBondContact O-CG2 3.42Å; A161-V165 PolarHBondContact O-N 3.41Å
162M95.3Very high94.2Very high0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-71.8-22.4174-65.8-58.798.600113L110 L116 A121 F124 V153 H156 T159 S160 V165 L166L110-M162 HydrophobicContact CD2-CE 4.26Å; L110-M162 HydrophobicContact CD2-SD 3.66Å; L116-M162 HydrophobicContact CD1-CE 4.46Å; L116-M162 HydrophobicContact CD1-SD 4.48Å; A121-M162 HydrophobicContact CB-CE 4.33Å; F124-M162 HydrophobicContact CD1-CE 3.84Å; F124-M162 HydrophobicContact CE1-CE 4.14Å; V153-M162 HydrophobicContact CG1-CB 3.98Å; V153-M162 HydrophobicContact CG1-SD 4.27Å; H156-M162 HydrophobicContact CB-CG 3.83Å; H156-M162 HydrophobicContact CB-SD 4.29Å; H156-M162 VanDerWaalsContact O-CG 3.26Å; H156-M162 WeakPolarHBondContact O-CG 3.32Å; T159-M162 WeakPolarHBondContact O-CB 3.47Å; T159-M162 PolarHBondContact O-N 3.11Å; S160-M162 PolarHBondContact O-N 3.18Å; S160-M162 VanDerWaalsContact O-N 3.15Å; M162-V165 HydrophobicContact CE-CG2 4.31Å; M162-L166 WeakPolarHBondContact O-CG 3.17Å; M162-L166 PolarHBondContact O-N 3.06Å
163M94.9Very high93.8Very high19 Ų1921 Ų219%0.09412%0.118CC..Hα-helixtrans-69.5-47172.9-50.9167.248.900109.9I157 S160 A161 V165 L166 L167 N210 Q213 T214I157-M163 HydrophobicContact CG1-CG 4.29Å; S160-M163 WeakPolarHBondContact O-CA 3.44Å; S160-M163 WeakPolarHBondContact O-CB 3.36Å; S160-M163 WeakPolarHBondContact O-CG 3.45Å; S160-M163 PolarHBondContact O-N 3.43Å; A161-M163 VanDerWaalsContact C-N 3.28Å; A161-M163 PolarHBondContact O-N 3.29Å; M163-V165 VanDerWaalsContact C-N 3.33Å; M163-V165 PolarHBondContact O-N 3.49Å; M163-L166 WeakPolarHBondContact O-CB 3.48Å; M163-L166 PolarHBondContact O-N 2.85Å; M163-L167 WeakPolarHBondContact O-CG 3.42Å; M163-L167 PolarHBondContact O-N 3.44Å; M163-N210 HydrophobicContact CG-CB 4.24Å; M163-N210 HydrophobicContact SD-CB 3.57Å; M163-N210 VanDerWaalsContact SD-CB 3.57Å; M163-Q213 HydrophobicContact CE-CB 3.69Å; M163-Q213 HydrophobicContact CE-CG 3.61Å; M163-T214 WeakPolarHBondContact CG-OG1 3.34Å
164D94.2Very high93.1Very high50 Ų5027.9 Ų27.927%0.26715%0.151SC..Hα-helixtrans-54.4-45.5174.9173.139.4000111.7S125 S160 A161 L166 L167 R168S125-D164 WeakPolarHBondContact CB-OD2 3.31Å; S125-D164 WeakPolarHBondContact OG-CB 3.49Å; S125-D164 VanDerWaalsContact OG-CG 3.26Å; S125-D164 PolarHBondContact OG-OD2 2.9Å; S160-D164 PolarHBondContact O-N 2.93Å; A161-D164 PolarHBondContact O-N 3.14Å; D164-L166 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 2.99Å; D164-L167 PolarHBondContact O-N 3.24Å; D164-R168 WeakPolarHBondContact O-CG 3.36Å; D164-R168 PolarHBondContact O-N 2.79Å; D164-R168 WeakPolarHBondContact OD1-CG 3.45Å; D164-R168 IonicContact OD1-CZ 2.76Å; D164-R168 IonicContact OD1-NE 3.87Å; D164-R168 PolarHBondContact OD1-NE 3.4Å; D164-R168 IonicContact OD1-NH2 2.6Å; D164-R168 PolarHBondContact OD1-NH2 2.8Å; D164-R168 IonicContact OD2-CZ 3.57Å; D164-R168 IonicContact OD2-NE 3.28Å; D164-R168 PolarHBondContact OD2-NE 3.27Å; D164-R168 IonicContact OD2-NH2 3.69Å; D164-R168 PolarHBondContact OD2-NH2 3.13Å
165V95.8Very high92.7Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-55.4-43.9173.2179.50000112.5F124 S125 I128 F149 A161 M162 M163 L169F124-V165 HydrophobicContact CD1-CG2 4.37Å; F124-V165 HydrophobicContact CE1-CG2 4.04Å; S125-V165 VanDerWaalsContact OG-CG2 3.28Å; S125-V165 WeakPolarHBondContact OG-CG2 3.45Å; I128-V165 HydrophobicContact CG2-CG1 4.19Å; I128-V165 HydrophobicContact CG2-CG2 3.8Å; F149-V165 HydrophobicContact CZ-CG1 4.08Å; A161-V165 WeakPolarHBondContact O-CG2 3.42Å; A161-V165 PolarHBondContact O-N 3.41Å; M162-V165 HydrophobicContact CE-CG2 4.31Å; M163-V165 VanDerWaalsContact C-N 3.33Å; M163-V165 PolarHBondContact O-N 3.49Å; V165-L169 HydrophobicContact CG1-CD1 4.42Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 2.99Å
166L96.4Very high92.2Very high1 Ų129.2 Ų29.21%0.00517%0.166CC..Hα-helixtrans-68.9-41.5178.2-67.6173.8000112.1L150 V153 L154 I157 M162 M163 D164 L169 I170 L191 T214L150-L166 HydrophobicContact CD1-CD2 3.68Å; V153-L166 HydrophobicContact CG1-CD1 4.14Å; V153-L166 HydrophobicContact CG1-CD2 3.89Å; V153-L166 HydrophobicContact CG1-CG 3.79Å; L154-L166 HydrophobicContact CD2-CD1 4.08Å; I157-L166 HydrophobicContact CD1-CD1 4.47Å; M162-L166 WeakPolarHBondContact O-CG 3.17Å; M162-L166 PolarHBondContact O-N 3.06Å; M163-L166 WeakPolarHBondContact O-CB 3.48Å; M163-L166 PolarHBondContact O-N 2.85Å; D164-L166 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 2.99Å; L166-L169 PolarHBondContact O-N 3.11Å; L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.16Å; L166-L191 HydrophobicContact CD1-CD1 4.34Å; L166-L191 HydrophobicContact CD2-CD1 4.13Å; L166-T214 HydrophobicContact CB-CG2 4.47Å; L166-T214 HydrophobicContact CD1-CG2 4.09Å
167L94.8Very high91.9Very high32 Ų3233.6 Ų33.617%0.16820%0.195CC..Hα-helixtrans-67.6-41.8-179.3-64.6173.1000111.2M163 D164 L169 I170 S171 D217 I218 L221M163-L167 WeakPolarHBondContact O-CG 3.42Å; M163-L167 PolarHBondContact O-N 3.44Å; D164-L167 PolarHBondContact O-N 3.24Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 3.43Å; L167-I170 CarbonylContact O-C 3.55Å; L167-I170 WeakPolarHBondContact O-CA 3.29Å; L167-I170 WeakPolarHBondContact O-CB 3.45Å; L167-I170 PolarHBondContact O-N 2.86Å; L167-S171 PolarHBondContact O-N 2.9Å; L167-S171 PolarHBondContact O-OG 3.5Å; L167-D217 HydrophobicContact CD1-CB 4.19Å; L167-D217 HydrophobicContact CD2-CB 3.78Å; L167-I218 HydrophobicContact CD2-CG1 4.1Å; L167-L221 HydrophobicContact CB-CD1 4.45Å; L167-L221 HydrophobicContact CD2-CD1 3.8Å
168R94.8Very high91.7Very high59 Ų5934.9 Ų34.922%0.22320%0.202CC..Hα-helixtrans-67.2-28.8176.1-64.2-155.9-134-173.62.4113.8D164 I170 C172D164-R168 WeakPolarHBondContact O-CG 3.36Å; D164-R168 PolarHBondContact O-N 2.79Å; D164-R168 WeakPolarHBondContact OD1-CG 3.45Å; D164-R168 IonicContact OD1-CZ 2.76Å; D164-R168 IonicContact OD1-NE 3.87Å; D164-R168 PolarHBondContact OD1-NE 3.4Å; D164-R168 IonicContact OD1-NH2 2.6Å; D164-R168 PolarHBondContact OD1-NH2 2.8Å; D164-R168 IonicContact OD2-CZ 3.57Å; D164-R168 IonicContact OD2-NE 3.28Å; D164-R168 PolarHBondContact OD2-NE 3.27Å; D164-R168 IonicContact OD2-NH2 3.69Å; D164-R168 PolarHBondContact OD2-NH2 3.13Å; R168-I170 PolarHBondContact O-N 3.01Å; R168-C172 HydrophobicContact CB-CB 4.22Å; R168-C172 VanDerWaalsContact O-CB 3.3Å; R168-C172 WeakPolarHBondContact O-CB 3.29Å; R168-C172 PolarHBondContact O-N 2.77Å
169L94.1Very high91.6Very high0 Ų036 Ų360%021%0.205CC..Hα-helixtrans-66.4-18.4169.8-72.6168.9000113.2I132 I140 L143 F149 V165 L166 L167 V173 L186I132-L169 HydrophobicContact CD1-CD2 3.56Å; I132-L169 HydrophobicContact CD1-CG 3.8Å; I132-L169 HydrophobicContact CG1-CD2 3.99Å; I140-L169 HydrophobicContact CD1-CD2 3.45Å; I140-L169 VanDerWaalsContact CD1-CD2 3.45Å; L143-L169 HydrophobicContact CD1-CD2 3.95Å; F149-L169 HydrophobicContact CE1-CD1 3.61Å; F149-L169 HydrophobicContact CZ-CD1 3.87Å; V165-L169 HydrophobicContact CG1-CD1 4.42Å; V165-L169 VanDerWaalsContact O-CG 3.3Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 2.99Å; L166-L169 PolarHBondContact O-N 3.11Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 3.43Å; L169-V173 WeakPolarHBondContact O-CG2 3.24Å; L169-L186 HydrophobicContact CB-CD1 4.47Å
170I92.4Very high91.5Very high0 Ų037.9 Ų37.90%021%0.214CC..Hα-helixtrans-102.3-33.6-178.4-69.3172000111.6L166 L167 R168 L183 L186 L191 I218 Q225 L238L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.16Å; L167-I170 CarbonylContact O-C 3.55Å; L167-I170 WeakPolarHBondContact O-CA 3.29Å; L167-I170 WeakPolarHBondContact O-CB 3.45Å; L167-I170 PolarHBondContact O-N 2.86Å; R168-I170 PolarHBondContact O-N 3.01Å; I170-L183 HydrophobicContact CB-CD2 4.21Å; I170-L183 HydrophobicContact CG1-CD2 3.91Å; I170-L183 HydrophobicContact CG2-CD2 3.97Å; I170-L186 HydrophobicContact CD1-CD1 4.27Å; I170-L186 HydrophobicContact CG1-CD1 3.76Å; I170-L191 HydrophobicContact CD1-CD2 3.95Å; I170-I218 HydrophobicContact CD1-CD1 3.74Å; I170-I218 HydrophobicContact CD1-CG1 3.66Å; I170-I218 HydrophobicContact CD1-CG2 4.47Å; I170-Q225 PolarHBondContact O-NE2 3.47Å; I170-L238 HydrophobicContact CD1-CD1 3.83Å; I170-L238 HydrophobicContact CG1-CD1 4.29Å
171S90.8Very high91.6Very high44 Ų4438.6 Ų38.631%0.30821%0.209SC..Hα-helixtrans-100.3-45.4-17862.30000114.5L167 V173L167-S171 PolarHBondContact O-N 2.9Å; L167-S171 PolarHBondContact O-OG 3.5Å; S171-V173 VanDerWaalsContact C-N 3.32Å; S171-V173 PolarHBondContact O-N 3.49Å
172C91.4Very high91.5Very high39 Ų3938.1 Ų38.126%0.26421%0.205SC..SBendtrans-84.13.2-168.3-57.40000115I132 A133 R168 E174I132-C172 HydrophobicContact CG2-CB 4.17Å; A133-C172 HydrophobicContact CB-CB 4.36Å; R168-C172 HydrophobicContact CB-CB 4.22Å; R168-C172 VanDerWaalsContact O-CB 3.3Å; R168-C172 WeakPolarHBondContact O-CB 3.29Å; R168-C172 PolarHBondContact O-N 2.77Å; C172-E174 PolarHBondContact O-N 3.37Å; C172-E174 VanDerWaalsContact O-N 3.12Å
173V88.3Confident91.5Very high0 Ų038.5 Ų38.50%021%0.207CC..  trans-79.891.9175.2178.60000108.9I132 T136 I140 L169 S171 L178 R179 T182I132-V173 HydrophobicContact CG2-CG2 4.25Å; T136-V173 HydrophobicContact CG2-CB 4.09Å; T136-V173 HydrophobicContact CG2-CG1 3.73Å; T136-V173 HydrophobicContact CG2-CG2 4.06Å; I140-V173 HydrophobicContact CD1-CG2 4.15Å; I140-V173 HydrophobicContact CG1-CG2 4.4Å; L169-V173 WeakPolarHBondContact O-CG2 3.24Å; S171-V173 VanDerWaalsContact C-N 3.32Å; S171-V173 PolarHBondContact O-N 3.49Å; V173-L178 HydrophobicContact CG1-CB 4.18Å; V173-L178 HydrophobicContact CG1-CD2 4.2Å; V173-L178 HydrophobicContact CG1-CG 3.91Å; V173-R179 HydrophobicContact CB-CB 4.21Å; V173-R179 HydrophobicContact CB-CG 4.2Å; V173-R179 HydrophobicContact CG1-CB 3.92Å; V173-R179 HydrophobicContact CG1-CG 4.44Å; V173-R179 PolarHBondContact O-NE 2.98Å; V173-R179 PolarHBondContact O-NH2 3.41Å; V173-T182 HydrophobicContact CG2-CG2 4.42Å
174E82.4Confident91.4Very high146 Ų14640.2 Ų40.268%0.68222%0.218SC*.  trans-55.3-52.6-173.3-70.3-167.7163.900114.6C172 P176 R179C172-E174 PolarHBondContact O-N 3.37Å; C172-E174 VanDerWaalsContact O-N 3.12Å; E174-P176 VanDerWaalsContact O-CD 3.29Å; E174-P176 WeakPolarHBondContact O-CD 3.41Å; E174-R179 PolarHBondContact O-NH2 2.69Å; E174-R179 VanDerWaalsContact O-NH2 3.15Å
175P86.1Confident91.5Very high47 Ų4738.8 Ų38.831%0.30521%0.209SC..SBendtrans-72119.2-169.3-15.130.6000110.8P177 L178 R179P175-P177 VanDerWaalsContact C-CD 3.48Å; P175-L178 HydrophobicContact CB-CB 4.02Å; P175-L178 HydrophobicContact CG-CB 4.32Å; P175-L178 HydrophobicContact CG-CD2 4.24Å; P175-L178 PolarHBondContact O-N 3.03Å; P175-R179 PolarHBondContact O-N 3.05Å
176P86Confident91.5Very high57 Ų5738.8 Ų38.837%0.3721%0.209SC..Hα-helixtrans-52-41.5-175.7-28.636000116.3E174 R179 L180 I232E174-P176 VanDerWaalsContact O-CD 3.29Å; E174-P176 WeakPolarHBondContact O-CD 3.41Å; P176-R179 PolarHBondContact O-N 2.88Å; P176-L180 PolarHBondContact O-N 3.31Å; P176-I232 HydrophobicContact CB-CD1 3.88Å
177P88.4Confident91.5Very high93 Ų9340.8 Ų40.860%0.60422%0.22SC*.Hα-helixtrans-68.1-37.3175.926.3-34000112.7P175 R179 L180 E181P175-P177 VanDerWaalsContact C-CD 3.48Å; P177-R179 VanDerWaalsContact C-N 3.33Å; P177-L180 PolarHBondContact O-N 2.77Å; P177-E181 PolarHBondContact O-N 2.97Å
178L90.3Very high91.5Very high27 Ų2745.8 Ų45.814%0.14124%0.242CC..Hα-helixtrans-68.6-34.4176.5-175.862.9000111.3T136 E137 I140 V173 P175 E181 T182T136-L178 HydrophobicContact CG2-CD2 3.79Å; E137-L178 HydrophobicContact CG-CD2 3.94Å; I140-L178 HydrophobicContact CG2-CD1 4.37Å; V173-L178 HydrophobicContact CG1-CB 4.18Å; V173-L178 HydrophobicContact CG1-CD2 4.2Å; V173-L178 HydrophobicContact CG1-CG 3.91Å; P175-L178 HydrophobicContact CB-CB 4.02Å; P175-L178 HydrophobicContact CG-CB 4.32Å; P175-L178 HydrophobicContact CG-CD2 4.24Å; P175-L178 PolarHBondContact O-N 3.03Å; L178-E181 PolarHBondContact O-N 3.36Å; L178-T182 WeakPolarHBondContact O-CB 3.33Å; L178-T182 PolarHBondContact O-N 3.5Å; L178-T182 PolarHBondContact O-OG1 3.34Å
179R90.2Very high91.5Very high36 Ų3646.1 Ų46.114%0.13625%0.247CC..Hα-helixtrans-63-49.9172-165.1-178.5-50.6165.95.1110.8V173 E174 P175 P176 P177 E181 T182 L183V173-R179 HydrophobicContact CB-CB 4.21Å; V173-R179 HydrophobicContact CB-CG 4.2Å; V173-R179 HydrophobicContact CG1-CB 3.92Å; V173-R179 HydrophobicContact CG1-CG 4.44Å; V173-R179 PolarHBondContact O-NE 2.98Å; V173-R179 PolarHBondContact O-NH2 3.41Å; E174-R179 PolarHBondContact O-NH2 2.69Å; E174-R179 VanDerWaalsContact O-NH2 3.15Å; P175-R179 PolarHBondContact O-N 3.05Å; P176-R179 PolarHBondContact O-N 2.88Å; P177-R179 VanDerWaalsContact C-N 3.33Å; R179-E181 VanDerWaalsContact C-N 3.32Å; R179-E181 PolarHBondContact O-N 3.26Å; R179-T182 WeakPolarHBondContact O-CA 3.43Å; R179-T182 WeakPolarHBondContact O-CB 3.48Å; R179-T182 PolarHBondContact O-N 2.95Å; R179-L183 HydrophobicContact CG-CD1 4.15Å; R179-L183 HydrophobicContact CG-CG 4.34Å; R179-L183 WeakPolarHBondContact O-CG 3.38Å; R179-L183 PolarHBondContact O-N 2.96Å
180L89.6Confident91.6Very high53 Ų5352 Ų5228%0.27727%0.272SS..Hα-helixtrans-59.7-40.6177.3-177.160.3000112.2P176 P177 T184P176-L180 PolarHBondContact O-N 3.31Å; P177-L180 PolarHBondContact O-N 2.77Å; L180-T184 VanDerWaalsContact O-CB 3.28Å; L180-T184 WeakPolarHBondContact O-CB 3.3Å; L180-T184 PolarHBondContact O-N 3.49Å; L180-T184 PolarHBondContact O-OG1 3.02Å
181E92.3Very high91.8Very high98 Ų9852.1 Ų52.146%0.45827%0.272SS..Hα-helixtrans-61.5-40.3171.1-81.4-164.6-134.800113R144 P177 L178 R179 T184 W185R144-E181 IonicContact CZ-OE2 2.73Å; R144-E181 IonicContact NH1-OE2 3.72Å; R144-E181 PolarHBondContact NH1-OE2 3.05Å; R144-E181 IonicContact NH2-OE2 3.37Å; R144-E181 PolarHBondContact NH2-OE2 3.08Å; P177-E181 PolarHBondContact O-N 2.97Å; L178-E181 PolarHBondContact O-N 3.36Å; R179-E181 VanDerWaalsContact C-N 3.32Å; R179-E181 PolarHBondContact O-N 3.26Å; E181-T184 PolarHBondContact O-N 3.08Å; E181-W185 WeakPolarHBondContact O-CB 3.47Å; E181-W185 PolarHBondContact O-N 3.47Å
182T93.7Very high92Very high0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-68.9-46-179.9-56.10000111.1I140 V173 L178 R179 T184 W185 L186I140-T182 HydrophobicContact CD1-CG2 3.98Å; V173-T182 HydrophobicContact CG2-CG2 4.42Å; L178-T182 WeakPolarHBondContact O-CB 3.33Å; L178-T182 PolarHBondContact O-N 3.5Å; L178-T182 PolarHBondContact O-OG1 3.34Å; R179-T182 WeakPolarHBondContact O-CA 3.43Å; R179-T182 WeakPolarHBondContact O-CB 3.48Å; R179-T182 PolarHBondContact O-N 2.95Å; T182-T184 VanDerWaalsContact C-N 3.31Å; T182-T184 PolarHBondContact O-N 3.28Å; T182-W185 HydrophobicContact CG2-CE3 4.29Å; T182-W185 PolarHBondContact O-N 2.96Å; T182-L186 HydrophobicContact CG2-CD1 4.37Å; T182-L186 WeakPolarHBondContact O-CG 3.34Å; T182-L186 PolarHBondContact O-N 3.07Å
183L94.2Very high92.3Very high8 Ų850.1 Ų50.14%0.04226%0.255CS..Hα-helixtrans-62.6-38.4174.5-61.9174.4000111.6I170 R179 L186 N187 P237 L238I170-L183 HydrophobicContact CB-CD2 4.21Å; I170-L183 HydrophobicContact CG1-CD2 3.91Å; I170-L183 HydrophobicContact CG2-CD2 3.97Å; R179-L183 HydrophobicContact CG-CD1 4.15Å; R179-L183 HydrophobicContact CG-CG 4.34Å; R179-L183 WeakPolarHBondContact O-CG 3.38Å; R179-L183 PolarHBondContact O-N 2.96Å; L183-L186 PolarHBondContact O-N 3.2Å; L183-N187 WeakPolarHBondContact O-CB 3.37Å; L183-N187 PolarHBondContact O-N 3.01Å; L183-P237 HydrophobicContact CB-CG 3.7Å; L183-L238 HydrophobicContact CD2-CD1 3.91Å
184T94.3Very high92.7Very high54 Ų5453 Ų5333%0.33127%0.266SS..Hα-helixtrans-63.1-46.4174.1-58.20000111L180 E181 T182 N187 E188L180-T184 VanDerWaalsContact O-CB 3.28Å; L180-T184 WeakPolarHBondContact O-CB 3.3Å; L180-T184 PolarHBondContact O-N 3.49Å; L180-T184 PolarHBondContact O-OG1 3.02Å; E181-T184 PolarHBondContact O-N 3.08Å; T182-T184 VanDerWaalsContact C-N 3.31Å; T182-T184 PolarHBondContact O-N 3.28Å; T184-N187 WeakPolarHBondContact O-CB 3.32Å; T184-N187 PolarHBondContact O-N 3.39Å; T184-E188 WeakPolarHBondContact O-CG 3.48Å; T184-E188 PolarHBondContact O-N 2.99Å
185W95.4Very high93.4Very high20 Ų2046 Ų468%0.07623%0.233CC..Hα-helixtrans-62.3-42.4175.6166.468.8000112.7L143 R144 F149 E181 T182 N187 E188 Q189L143-W185 HydrophobicContact CB-CH2 4.32Å; R144-W185 HydrophobicContact CG-CD2 3.68Å; R144-W185 HydrophobicContact CG-CE3 4.06Å; R144-W185 HydrophobicContact CG-CG 3.98Å; R144-W185 HydrophobicContact CG-CH2 4.49Å; R144-W185 HydrophobicContact CG-CZ2 4.17Å; R144-W185 HydrophobicContact CG-CZ3 4.45Å; F149-W185 AromaticContact CD1-CH2 3.93Å; F149-W185 HydrophobicContact CD1-CH2 3.93Å; F149-W185 HydrophobicContact CE1-CH2 4.36Å; E181-W185 WeakPolarHBondContact O-CB 3.47Å; E181-W185 PolarHBondContact O-N 3.47Å; T182-W185 HydrophobicContact CG2-CE3 4.29Å; T182-W185 PolarHBondContact O-N 2.96Å; W185-N187 VanDerWaalsContact C-N 3.25Å; W185-N187 PolarHBondContact O-N 2.86Å; W185-E188 PolarHBondContact O-N 3.37Å; W185-Q189 WeakPolarHBondContact O-CG 3.01Å; W185-Q189 PolarHBondContact O-N 2.98Å
186L96.1Very high93.9Very high1 Ų144 Ų441%0.00522%0.22CC..Hα-helixtrans-62.3-34174.7-69.6173.4000111.9L169 I170 T182 L183 Q189 K190 L191 L238L169-L186 HydrophobicContact CB-CD1 4.47Å; I170-L186 HydrophobicContact CD1-CD1 4.27Å; I170-L186 HydrophobicContact CG1-CD1 3.76Å; T182-L186 HydrophobicContact CG2-CD1 4.37Å; T182-L186 WeakPolarHBondContact O-CG 3.34Å; T182-L186 PolarHBondContact O-N 3.07Å; L183-L186 PolarHBondContact O-N 3.2Å; L186-Q189 CarbonylContact O-C 3.23Å; L186-Q189 PolarHBondContact O-N 2.81Å; L186-K190 PolarHBondContact O-N 3.37Å; L186-L191 HydrophobicContact CB-CB 4.33Å; L186-L191 HydrophobicContact CB-CD2 4.11Å; L186-L191 HydrophobicContact CD1-CD2 4.17Å; L186-L191 HydrophobicContact CD2-CD2 4.36Å; L186-L191 HydrophobicContact CG-CD2 4.45Å; L186-L191 WeakPolarHBondContact O-CB 3.45Å; L186-L191 PolarHBondContact O-N 3.1Å; L186-L238 HydrophobicContact CB-CD1 4.43Å; L186-L238 HydrophobicContact CB-CD2 4.28Å
187N95.4Very high94.4Very high43 Ų4345.5 Ų45.523%0.2322%0.222CC..Hα-helixtrans-72.1-41.2173.8-166.224000112.5L183 T184 W185 Q189 K190 P237 L238 V241L183-N187 WeakPolarHBondContact O-CB 3.37Å; L183-N187 PolarHBondContact O-N 3.01Å; T184-N187 WeakPolarHBondContact O-CB 3.32Å; T184-N187 PolarHBondContact O-N 3.39Å; W185-N187 VanDerWaalsContact C-N 3.25Å; W185-N187 PolarHBondContact O-N 2.86Å; N187-Q189 PolarHBondContact O-N 2.7Å; N187-K190 WeakPolarHBondContact O-CA 3.44Å; N187-K190 PolarHBondContact O-N 3.49Å; N187-P237 HydrophobicContact CB-CB 4.33Å; N187-P237 PolarHBondContact ND2-O 2.95Å; N187-L238 HydrophobicContact CB-CD2 3.91Å; N187-V241 WeakPolarHBondContact OD1-CG2 3.38Å
188E95.1Very high94.7Very high136 Ų13642 Ų4264%0.63620%0.198SC*.Hα-helixtrans-58.7-36.2171.4-71.9175163.200111.8T184 W185 K190T184-E188 WeakPolarHBondContact O-CG 3.48Å; T184-E188 PolarHBondContact O-N 2.99Å; W185-E188 PolarHBondContact O-N 3.37Å; E188-K190 PolarHBondContact O-N 2.88Å
189Q95.1Very high94.9Very high67 Ų6740.7 Ų40.731%0.31319%0.191SC..THydrogen-bonded Turntrans-79.53.7173-63.6-58.5-50.700114.2L150 W185 L186 N187 L191 R194L150-Q189 HydrophobicContact CD2-CB 3.8Å; W185-Q189 WeakPolarHBondContact O-CG 3.01Å; W185-Q189 PolarHBondContact O-N 2.98Å; L186-Q189 CarbonylContact O-C 3.23Å; L186-Q189 PolarHBondContact O-N 2.81Å; N187-Q189 PolarHBondContact O-N 2.7Å; Q189-L191 PolarHBondContact O-N 3.4Å; Q189-R194 WeakPolarHBondContact O-CD 3.25Å
190K95.9Very high95.1Very high124 Ų12441 Ų4154%0.53919%0.194SC..THydrogen-bonded Turntrans57.440.5177.8-60.1-169175.6-165.40114.9L186 N187 E188 A192 Q193 R194L186-K190 PolarHBondContact O-N 3.37Å; N187-K190 WeakPolarHBondContact O-CA 3.44Å; N187-K190 PolarHBondContact O-N 3.49Å; E188-K190 PolarHBondContact O-N 2.88Å; K190-A192 VanDerWaalsContact C-N 3.31Å; K190-A192 PolarHBondContact O-N 2.91Å; K190-Q193 VanDerWaalsContact CA-OE1 3.29Å; K190-Q193 HydrophobicContact CB-CB 4.45Å; K190-Q193 PolarHBondContact O-N 2.86Å; K190-Q193 PolarHBondContact O-OE1 3.29Å; K190-R194 HydrophobicContact CB-CG 4.22Å; K190-R194 WeakPolarHBondContact O-CB 3.48Å; K190-R194 VanDerWaalsContact O-CG 3.22Å; K190-R194 WeakPolarHBondContact O-CG 3.41Å; K190-R194 PolarHBondContact O-N 3.02Å
191L96.9Very high95.2Very high1 Ų139.9 Ų39.91%0.00519%0.19CC..Hα-helixtrans-49.1-50-178.8175.162.5000112.9L150 L166 I170 L186 Q189 R194 L195 I218 L238L150-L191 HydrophobicContact CD1-CD1 3.68Å; L150-L191 HydrophobicContact CD2-CB 4.17Å; L150-L191 HydrophobicContact CD2-CD1 4.17Å; L166-L191 HydrophobicContact CD1-CD1 4.34Å; L166-L191 HydrophobicContact CD2-CD1 4.13Å; I170-L191 HydrophobicContact CD1-CD2 3.95Å; L186-L191 HydrophobicContact CB-CB 4.33Å; L186-L191 HydrophobicContact CB-CD2 4.11Å; L186-L191 HydrophobicContact CD1-CD2 4.17Å; L186-L191 HydrophobicContact CD2-CD2 4.36Å; L186-L191 HydrophobicContact CG-CD2 4.45Å; L186-L191 WeakPolarHBondContact O-CB 3.45Å; L186-L191 PolarHBondContact O-N 3.1Å; Q189-L191 PolarHBondContact O-N 3.4Å; L191-R194 PolarHBondContact O-N 3.34Å; L191-L195 HydrophobicContact CD1-CD1 3.8Å; L191-L195 HydrophobicContact CD1-CG 4.19Å; L191-L195 HydrophobicContact CG-CD1 4.03Å; L191-L195 WeakPolarHBondContact O-CG 3.43Å; L191-L195 PolarHBondContact O-N 3.32Å; L191-I218 HydrophobicContact CD2-CD1 4.06Å; L191-L238 HydrophobicContact CB-CD2 4.27Å; L191-L238 HydrophobicContact CD2-CD1 4.09Å; L191-L238 HydrophobicContact CD2-CD2 4.48Å
192A95.9Very high95Very high2 Ų243.3 Ų43.32%0.01721%0.206CC..Hα-helixtrans-59.9-53-178.900000112.7K190 R194 L195 I196 V241 L242K190-A192 VanDerWaalsContact C-N 3.31Å; K190-A192 PolarHBondContact O-N 2.91Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.45Å; A192-L195 PolarHBondContact O-N 3.3Å; A192-I196 WeakPolarHBondContact O-CG1 3.25Å; A192-I196 PolarHBondContact O-N 3.37Å; A192-I196 VanDerWaalsContact O-N 3.13Å; A192-V241 HydrophobicContact CB-CG1 3.82Å; A192-L242 HydrophobicContact CB-CD2 3.64Å; A192-L242 HydrophobicContact CB-CG 3.87Å
193Q96.6Very high94.9Very high39 Ų3949.1 Ų49.118%0.18223%0.228CC..Hα-helixtrans-65.1-38.4-178.8-57.888.1-16.800111.4K190 L195 I196 E197 V241K190-Q193 VanDerWaalsContact CA-OE1 3.29Å; K190-Q193 HydrophobicContact CB-CB 4.45Å; K190-Q193 PolarHBondContact O-N 2.86Å; K190-Q193 PolarHBondContact O-OE1 3.29Å; Q193-L195 PolarHBondContact O-N 3.33Å; Q193-I196 CarbonylContact O-C 3.56Å; Q193-I196 PolarHBondContact O-N 3.27Å; Q193-I196 VanDerWaalsContact O-N 3.15Å; Q193-E197 WeakPolarHBondContact O-CG 3.32Å; Q193-E197 PolarHBondContact O-N 3.19Å; Q193-V241 VanDerWaalsContact NE2-CG1 3.33Å
194R96.9Very high94.7Very high61 Ų6153.5 Ų53.523%0.2325%0.251CS..Hα-helixtrans-70.5-28.7179.5-67.8-178.570.5-179.84.2113.5S151 L154 Q189 K190 L191 A192 L198S151-R194 PolarHBondContact OG-NH1 2.58Å; S151-R194 PolarHBondContact OG-NH2 3.41Å; L154-R194 HydrophobicContact CD1-CB 3.66Å; Q189-R194 WeakPolarHBondContact O-CD 3.25Å; K190-R194 HydrophobicContact CB-CG 4.22Å; K190-R194 WeakPolarHBondContact O-CB 3.48Å; K190-R194 VanDerWaalsContact O-CG 3.22Å; K190-R194 WeakPolarHBondContact O-CG 3.41Å; K190-R194 PolarHBondContact O-N 3.02Å; L191-R194 PolarHBondContact O-N 3.34Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.45Å; R194-L198 WeakPolarHBondContact O-CG 3.37Å
195L97.5Very high94.6Very high0 Ų057 Ų570%026%0.264CS..Hα-helixtrans-69.8-38.5168.4-74.9165.8000111.1L154 I157 L191 A192 Q193 L198 I199 A211 T214 L215 I218L154-L195 HydrophobicContact CD2-CD2 3.61Å; L154-L195 HydrophobicContact CD2-CG 4.17Å; I157-L195 HydrophobicContact CD1-CD2 3.57Å; L191-L195 HydrophobicContact CD1-CD1 3.8Å; L191-L195 HydrophobicContact CD1-CG 4.19Å; L191-L195 HydrophobicContact CG-CD1 4.03Å; L191-L195 WeakPolarHBondContact O-CG 3.43Å; L191-L195 PolarHBondContact O-N 3.32Å; A192-L195 PolarHBondContact O-N 3.3Å; Q193-L195 PolarHBondContact O-N 3.33Å; L195-L198 WeakPolarHBondContact O-CB 3.26Å; L195-L198 PolarHBondContact O-N 2.91Å; L195-L198 VanDerWaalsContact O-N 3.15Å; L195-I199 PolarHBondContact O-N 3.46Å; L195-A211 HydrophobicContact CD2-CB 4.06Å; L195-T214 HydrophobicContact CD1-CG2 3.92Å; L195-T214 HydrophobicContact CD2-CG2 4.19Å; L195-L215 HydrophobicContact CB-CD1 3.89Å; L195-L215 HydrophobicContact CB-CD2 3.77Å; L195-L215 HydrophobicContact CB-CG 3.75Å; L195-L215 HydrophobicContact CD1-CD2 3.92Å; L195-L215 HydrophobicContact CD1-CG 4.11Å; L195-I218 HydrophobicContact CD1-CD1 3.94Å
196I96.6Very high94.5Very high4 Ų461.9 Ų61.92%0.02129%0.287CS..Hα-helixtrans-67.7-35.2175.2-68.6167.4000111.8A192 Q193 L198 I199 L215 C247 Q250 L251 N254A192-I196 WeakPolarHBondContact O-CG1 3.25Å; A192-I196 PolarHBondContact O-N 3.37Å; A192-I196 VanDerWaalsContact O-N 3.13Å; Q193-I196 CarbonylContact O-C 3.56Å; Q193-I196 PolarHBondContact O-N 3.27Å; Q193-I196 VanDerWaalsContact O-N 3.15Å; I196-L198 PolarHBondContact O-N 3.43Å; I196-I199 PolarHBondContact O-N 2.88Å; I196-L215 HydrophobicContact CG1-CD1 3.8Å; I196-L215 HydrophobicContact CG1-CD2 4.47Å; I196-C247 WeakPolarHBondContact CD1-SG 3.37Å; I196-Q250 HydrophobicContact CG2-CB 4.41Å; I196-Q250 HydrophobicContact CG2-CG 4.07Å; I196-L251 HydrophobicContact CG2-CB 3.95Å; I196-L251 HydrophobicContact CG2-CD1 4.13Å; I196-N254 PolarHBondContact O-ND2 2.99Å
197E95.3Very high94.4Very high89 Ų8963.6 Ų63.642%0.41629%0.294SS..THydrogen-bonded Turntrans-64.3-11.7171.3-72.7169.3-168.700114.5Q193 R203Q193-E197 WeakPolarHBondContact O-CG 3.32Å; Q193-E197 PolarHBondContact O-N 3.19Å; E197-R203 PolarHBondContact O-NE 3.48Å
198L95.2Very high94.3Very high18 Ų1861.7 Ų61.79%0.09428%0.283CS..THydrogen-bonded Turntrans-92.4-22.3171.2-67167.6000112.7L154 I157 R194 L195 I196 H200 R203 Q208 A211L154-L198 HydrophobicContact CB-CD1 4.4Å; L154-L198 HydrophobicContact CD2-CD1 4.14Å; I157-L198 HydrophobicContact CD1-CD1 4.47Å; I157-L198 HydrophobicContact CG2-CD1 3.88Å; R194-L198 WeakPolarHBondContact O-CG 3.37Å; L195-L198 WeakPolarHBondContact O-CB 3.26Å; L195-L198 PolarHBondContact O-N 2.91Å; L195-L198 VanDerWaalsContact O-N 3.15Å; I196-L198 PolarHBondContact O-N 3.43Å; L198-H200 VanDerWaalsContact C-N 3.32Å; L198-H200 PolarHBondContact O-N 2.91Å; L198-H200 VanDerWaalsContact O-N 3.11Å; L198-R203 WeakPolarHBondContact O-CB 3.38Å; L198-R203 WeakPolarHBondContact O-CG 3.45Å; L198-Q208 WeakPolarHBondContact O-CG 3.39Å; L198-A211 HydrophobicContact CB-CB 3.85Å; L198-A211 HydrophobicContact CD1-CB 4.19Å
199I95.5Very high94.3Very high0 Ų058.4 Ų58.40%027%0.273CS..SBendtrans-84.179.7170.3-54.3176.3000107.7L195 I196 A211 L215 L251 N254 V271L195-I199 PolarHBondContact O-N 3.46Å; I196-I199 PolarHBondContact O-N 2.88Å; I199-A211 HydrophobicContact CG1-CB 4.32Å; I199-L215 HydrophobicContact CD1-CD1 3.8Å; I199-L251 HydrophobicContact CB-CD1 4.25Å; I199-L251 HydrophobicContact CD1-CD1 4.04Å; I199-L251 HydrophobicContact CG2-CD1 4.13Å; I199-N254 WeakPolarHBondContact O-CB 3.48Å; I199-N254 PolarHBondContact O-ND2 3.02Å; I199-V271 HydrophobicContact CD1-CG2 4.05Å
200H93.8Very high94.4Very high42 Ų4256.4 Ų56.419%0.19426%0.264CS..SBendtrans-146.7144.7178.6-175-104.3000110.2L198 E202 R203 Q208 S257L198-H200 VanDerWaalsContact C-N 3.32Å; L198-H200 PolarHBondContact O-N 2.91Å; L198-H200 VanDerWaalsContact O-N 3.11Å; H200-E202 IonicContact CE1-OE2 2.8Å; H200-E202 PolarHBondContact CE1-OE2 2.72Å; H200-E202 IonicContact ND1-OE2 3.94Å; H200-E202 PolarHBondContact O-N 3.37Å; H200-R203 HydrophobicContact CB-CG 4.17Å; H200-R203 WeakPolarHBondContact O-CB 3.15Å; H200-R203 PolarHBondContact O-N 3.48Å; H200-Q208 PolarHBondContact O-NE2 2.82Å; H200-S257 PolarHBondContact CD2-OG 2.75Å; H200-S257 PolarHBondContact NE2-OG 2.87Å; H200-S257 VanDerWaalsContact NE2-OG 3.15Å
201P90.6Very high94.4Very high30 Ų3050.5 Ų50.520%0.19524%0.239CC..THydrogen-bonded Turntrans-59.9-19-173.3-27.637.3000116R203 A261 C264P201-R203 VanDerWaalsContact C-N 3.3Å; P201-R203 PolarHBondContact O-N 3.15Å; P201-A261 HydrophobicContact CB-CB 3.97Å; P201-A261 HydrophobicContact CG-CB 4.49Å; P201-C264 HydrophobicContact CG-CB 4.2Å
202E89.8Confident94.4Very high170 Ų17050.7 Ų50.779%0.79424%0.24SC*.THydrogen-bonded Turntrans-86.610.6177.1-58.8-179.4153.700114H200H200-E202 IonicContact CE1-OE2 2.8Å; H200-E202 PolarHBondContact CE1-OE2 2.72Å; H200-E202 IonicContact ND1-OE2 3.94Å; H200-E202 PolarHBondContact O-N 3.37Å
203R90.6Very high94.5Very high122 Ų12254 Ų5446%0.4626%0.255SS..SBendtrans-110.5157.9179.7-55.8-60.6-164.4-179.82.8111.4E197 L198 H200 P201 Q208E197-R203 PolarHBondContact O-NE 3.48Å; L198-R203 WeakPolarHBondContact O-CB 3.38Å; L198-R203 WeakPolarHBondContact O-CG 3.45Å; H200-R203 HydrophobicContact CB-CG 4.17Å; H200-R203 WeakPolarHBondContact O-CB 3.15Å; H200-R203 PolarHBondContact O-N 3.48Å; P201-R203 VanDerWaalsContact C-N 3.3Å; P201-R203 PolarHBondContact O-N 3.15Å; R203-Q208 HydrophobicContact CB-CG 4.02Å; R203-Q208 PolarHBondContact O-NE2 3.44Å
204D91.3Very high94.5Very high100 Ų10052.1 Ų52.154%0.53525%0.247SC..  trans-62.7138.7175-46.1-72.6000111.5E206 R207 Q208D204-E206 VanDerWaalsContact C-N 3.29Å; D204-E206 PolarHBondContact O-N 3.18Å; D204-R207 HydrophobicContact CB-CG 4.09Å; D204-R207 WeakPolarHBondContact O-CB 3.37Å; D204-R207 PolarHBondContact O-N 3.47Å; D204-R207 WeakPolarHBondContact OD2-CD 3.22Å; D204-R207 IonicContact OD2-CZ 3.43Å; D204-R207 IonicContact OD2-NE 3.39Å; D204-R207 PolarHBondContact OD2-NE 3.31Å; D204-Q208 WeakPolarHBondContact O-CG 3.4Å; D204-Q208 PolarHBondContact O-N 2.82Å; D204-Q208 VanDerWaalsContact O-N 3.08Å
205E92.1Very high94.6Very high128 Ų12849.2 Ų49.260%0.59824%0.236SC*.Hα-helixtrans-57.6-37.8-175.8170.7162-151.500113.4Q208 T209E205-Q208 PolarHBondContact O-N 2.99Å; E205-T209 WeakPolarHBondContact O-CB 3.22Å; E205-T209 PolarHBondContact O-N 3.5Å; E205-T209 PolarHBondContact O-OG1 3.18Å
206E92.5Very high94.5Very high122 Ų12249.2 Ų49.257%0.5724%0.236SC*.Hα-helixtrans-63.7-42175.2-173.3168.6-138.400111.9D158 D204 Q208 T209 N210D158-E206 WeakPolarHBondContact O-CG 3.34Å; D204-E206 VanDerWaalsContact C-N 3.29Å; D204-E206 PolarHBondContact O-N 3.18Å; E206-Q208 PolarHBondContact O-N 3.45Å; E206-T209 PolarHBondContact O-N 3.49Å; E206-N210 WeakPolarHBondContact O-CB 3.29Å; E206-N210 PolarHBondContact O-N 3.15Å; E206-N210 PolarHBondContact O-OD1 3.45Å
207R93.6Very high94.5Very high37 Ų3750.8 Ų50.814%0.1424%0.244CC..Hα-helixtrans-64.4-41.5175-63.8176.7-174.8-74.5-12.7112.1S114 K155 I157 D158 D204 T209 A211S114-R207 PolarHBondContact OG-NH2 2.84Å; S114-R207 VanDerWaalsContact OG-NH2 3.15Å; K155-R207 PolarHBondContact O-NH1 3.44Å; I157-R207 HydrophobicContact CG2-CB 4.5Å; D158-R207 HydrophobicContact CB-CG 4.09Å; D158-R207 IonicContact OD1-CZ 3.55Å; D158-R207 IonicContact OD1-NH1 2.68Å; D158-R207 PolarHBondContact OD1-NH1 2.73Å; D158-R207 IonicContact OD1-NH2 3.21Å; D158-R207 PolarHBondContact OD1-NH2 3.37Å; D158-R207 IonicContact OD2-NH2 2.73Å; D204-R207 HydrophobicContact CB-CG 4.09Å; D204-R207 WeakPolarHBondContact O-CB 3.37Å; D204-R207 PolarHBondContact O-N 3.47Å; D204-R207 WeakPolarHBondContact OD2-CD 3.22Å; D204-R207 IonicContact OD2-CZ 3.43Å; D204-R207 IonicContact OD2-NE 3.39Å; D204-R207 PolarHBondContact OD2-NE 3.31Å; R207-T209 VanDerWaalsContact C-N 3.35Å; R207-A211 WeakPolarHBondContact O-CB 3.36Å; R207-A211 PolarHBondContact O-N 3.43Å
208Q94.4Very high94.5Very high3 Ų346.7 Ų46.71%0.01423%0.225CC..Hα-helixtrans-62.4-45.6177.6-61.9176.43900110.5L198 H200 R203 D204 E205 E206 S212 S263L198-Q208 WeakPolarHBondContact O-CG 3.39Å; H200-Q208 PolarHBondContact O-NE2 2.82Å; R203-Q208 HydrophobicContact CB-CG 4.02Å; R203-Q208 PolarHBondContact O-NE2 3.44Å; D204-Q208 WeakPolarHBondContact O-CG 3.4Å; D204-Q208 PolarHBondContact O-N 2.82Å; D204-Q208 VanDerWaalsContact O-N 3.08Å; E205-Q208 PolarHBondContact O-N 2.99Å; E206-Q208 PolarHBondContact O-N 3.45Å; Q208-S212 VanDerWaalsContact O-CB 3.29Å; Q208-S212 WeakPolarHBondContact O-CB 3.13Å; Q208-S212 PolarHBondContact O-N 3.38Å; Q208-S263 PolarHBondContact OE1-OG 2.98Å
209T95Very high94.4Very high68 Ų6845.8 Ų45.842%0.41722%0.22SC..Hα-helixtrans-64.7-49.1180-54.40000111.2E205 E206 R207 A211 S212 Q213E205-T209 WeakPolarHBondContact O-CB 3.22Å; E205-T209 PolarHBondContact O-N 3.5Å; E205-T209 PolarHBondContact O-OG1 3.18Å; E206-T209 PolarHBondContact O-N 3.49Å; R207-T209 VanDerWaalsContact C-N 3.35Å; T209-A211 PolarHBondContact O-N 3.48Å; T209-S212 WeakPolarHBondContact O-CB 3.34Å; T209-S212 PolarHBondContact O-N 3.15Å; T209-Q213 WeakPolarHBondContact O-CB 3.45Å; T209-Q213 PolarHBondContact O-N 2.7Å
210N95.8Very high94.2Very high24 Ų2449.9 Ų49.913%0.12824%0.236CC..Hα-helixtrans-66.8-38-179.9-68.5-3.4000112I157 D158 M163 E206 T214I157-N210 HydrophobicContact CG1-CB 4.18Å; I157-N210 VanDerWaalsContact O-CB 3.23Å; I157-N210 WeakPolarHBondContact O-CB 3.39Å; I157-N210 PolarHBondContact O-ND2 3.46Å; D158-N210 PolarHBondContact O-ND2 3.31Å; M163-N210 HydrophobicContact CG-CB 4.24Å; M163-N210 HydrophobicContact SD-CB 3.57Å; M163-N210 VanDerWaalsContact SD-CB 3.57Å; E206-N210 WeakPolarHBondContact O-CB 3.29Å; E206-N210 PolarHBondContact O-N 3.15Å; E206-N210 PolarHBondContact O-OD1 3.45Å; N210-T214 WeakPolarHBondContact O-CB 3.49Å; N210-T214 PolarHBondContact O-N 3.35Å; N210-T214 PolarHBondContact O-OG1 3.46Å
211A96.9Very high94Very high0 Ų050.5 Ų50.50%024%0.24CC..Hα-helixtrans-65.3-41.3173.100000112.1I157 L195 L198 I199 R207 T209 T214 L215I157-A211 HydrophobicContact CD1-CB 4.33Å; L195-A211 HydrophobicContact CD2-CB 4.06Å; L198-A211 HydrophobicContact CB-CB 3.85Å; L198-A211 HydrophobicContact CD1-CB 4.19Å; I199-A211 HydrophobicContact CG1-CB 4.32Å; R207-A211 WeakPolarHBondContact O-CB 3.36Å; R207-A211 PolarHBondContact O-N 3.43Å; T209-A211 PolarHBondContact O-N 3.48Å; A211-T214 PolarHBondContact O-N 3.11Å; A211-L215 VanDerWaalsContact O-CG 3.31Å; A211-L215 WeakPolarHBondContact O-CG 3.4Å; A211-L215 PolarHBondContact O-N 3.35Å
212S97.3Very high93.9Very high5 Ų549 Ų494%0.03523%0.231CC..Hα-helixtrans-61.2-47.8174.3-178.60000112.5Q208 T209 L215 C216 S267 V271Q208-S212 VanDerWaalsContact O-CB 3.29Å; Q208-S212 WeakPolarHBondContact O-CB 3.13Å; Q208-S212 PolarHBondContact O-N 3.38Å; T209-S212 WeakPolarHBondContact O-CB 3.34Å; T209-S212 PolarHBondContact O-N 3.15Å; S212-L215 WeakPolarHBondContact O-CB 3.32Å; S212-L215 PolarHBondContact O-N 3.19Å; S212-C216 PolarHBondContact O-N 3.43Å; S212-C216 PolarHBondContact O-SG 2.66Å; S212-S267 PolarHBondContact OG-O 2.88Å; S212-V271 WeakPolarHBondContact OG-CG2 3.48Å
213Q97.1Very high93.7Very high72 Ų7242 Ų4234%0.33620%0.197SC..Hα-helixtrans-64.3-44.2179.1-175.657.641.200110.6M163 T209 L215 C216 D217M163-Q213 HydrophobicContact CE-CB 3.69Å; M163-Q213 HydrophobicContact CE-CG 3.61Å; T209-Q213 WeakPolarHBondContact O-CB 3.45Å; T209-Q213 PolarHBondContact O-N 2.7Å; Q213-L215 VanDerWaalsContact C-N 3.29Å; Q213-L215 PolarHBondContact O-N 3.3Å; Q213-C216 WeakPolarHBondContact O-CB 3.48Å; Q213-C216 PolarHBondContact O-N 2.73Å; Q213-C216 VanDerWaalsContact O-N 3.15Å; Q213-D217 PolarHBondContact NE2-OD1 3.43Å; Q213-D217 PolarHBondContact NE2-OD2 3.38Å; Q213-D217 PolarHBondContact O-N 2.98Å
214T97.6Very high93.4Very high0 Ų038.4 Ų38.40%019%0.187CC..Hα-helixtrans-55.8-42.7173.2-54.90000111.7M163 L166 L195 N210 A211 D217 I218M163-T214 WeakPolarHBondContact CG-OG1 3.34Å; L166-T214 HydrophobicContact CB-CG2 4.47Å; L166-T214 HydrophobicContact CD1-CG2 4.09Å; L195-T214 HydrophobicContact CD1-CG2 3.92Å; L195-T214 HydrophobicContact CD2-CG2 4.19Å; N210-T214 WeakPolarHBondContact O-CB 3.49Å; N210-T214 PolarHBondContact O-N 3.35Å; N210-T214 PolarHBondContact O-OG1 3.46Å; A211-T214 PolarHBondContact O-N 3.11Å; T214-D217 PolarHBondContact O-N 3.33Å; T214-I218 HydrophobicContact CG2-CD1 3.9Å; T214-I218 HydrophobicContact CG2-CG1 4.47Å; T214-I218 WeakPolarHBondContact O-CB 3.4Å; T214-I218 WeakPolarHBondContact O-CG1 3.31Å; T214-I218 PolarHBondContact O-N 3.14Å
215L97.6Very high92.8Very high0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-64.3-45.4176.1-75.9165.5000112.4L195 I196 I199 A211 S212 Q213 D217 I218 I219 L242 V271L195-L215 HydrophobicContact CB-CD1 3.89Å; L195-L215 HydrophobicContact CB-CD2 3.77Å; L195-L215 HydrophobicContact CB-CG 3.75Å; L195-L215 HydrophobicContact CD1-CD2 3.92Å; L195-L215 HydrophobicContact CD1-CG 4.11Å; I196-L215 HydrophobicContact CG1-CD1 3.8Å; I196-L215 HydrophobicContact CG1-CD2 4.47Å; I199-L215 HydrophobicContact CD1-CD1 3.8Å; A211-L215 VanDerWaalsContact O-CG 3.31Å; A211-L215 WeakPolarHBondContact O-CG 3.4Å; A211-L215 PolarHBondContact O-N 3.35Å; S212-L215 WeakPolarHBondContact O-CB 3.32Å; S212-L215 PolarHBondContact O-N 3.19Å; Q213-L215 VanDerWaalsContact C-N 3.29Å; Q213-L215 PolarHBondContact O-N 3.3Å; L215-D217 VanDerWaalsContact C-N 3.33Å; L215-D217 PolarHBondContact O-N 2.74Å; L215-I218 PolarHBondContact O-N 2.93Å; L215-I219 WeakPolarHBondContact O-CD1 3.37Å; L215-I219 VanDerWaalsContact O-CG1 3.24Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 3.5Å; L215-L242 HydrophobicContact CD2-CD2 3.5Å; L215-L242 VanDerWaalsContact CD2-CD2 3.5Å; L215-V271 HydrophobicContact CB-CG1 4.29Å; L215-V271 HydrophobicContact CB-CG2 3.93Å; L215-V271 HydrophobicContact CD1-CG2 4.08Å
216C96.5Very high92Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-58.4-43.8175.6-72.80000112.1S212 Q213 I219 R220 T274S212-C216 PolarHBondContact O-N 3.43Å; S212-C216 PolarHBondContact O-SG 2.66Å; Q213-C216 WeakPolarHBondContact O-CB 3.48Å; Q213-C216 PolarHBondContact O-N 2.73Å; Q213-C216 VanDerWaalsContact O-N 3.15Å; C216-I219 PolarHBondContact O-N 3.48Å; C216-R220 WeakPolarHBondContact O-CG 3.25Å; C216-R220 PolarHBondContact O-N 2.88Å; C216-T274 HydrophobicContact CB-CG2 4.09Å; C216-T274 PolarHBondContact SG-OG1 3.14Å
217D95.8Very high91.1Very high36 Ų3627.8 Ų27.819%0.19315%0.149CC..Hα-helixtrans-73.4-35-178.1-63.5-30.2000112L167 Q213 T214 L215 R220 L221L167-D217 HydrophobicContact CD1-CB 4.19Å; L167-D217 HydrophobicContact CD2-CB 3.78Å; Q213-D217 PolarHBondContact NE2-OD1 3.43Å; Q213-D217 PolarHBondContact NE2-OD2 3.38Å; Q213-D217 PolarHBondContact O-N 2.98Å; T214-D217 PolarHBondContact O-N 3.33Å; L215-D217 VanDerWaalsContact C-N 3.33Å; L215-D217 PolarHBondContact O-N 2.74Å; D217-R220 PolarHBondContact O-N 2.81Å; D217-R220 IonicContact OD1-NH1 3.35Å; D217-L221 VanDerWaalsContact O-CB 3.3Å; D217-L221 WeakPolarHBondContact O-CB 3.45Å; D217-L221 VanDerWaalsContact O-CG 3.24Å; D217-L221 WeakPolarHBondContact O-CG 3.19Å; D217-L221 PolarHBondContact O-N 3.25Å
218I95Very high89.9Confident3 Ų333.1 Ų33.12%0.01518%0.175CC..Hα-helixtrans-60.3-47.5168.9-70.1171.1000110.7L167 I170 L191 L195 T214 L215 R220 L221 S222 L238 L242L167-I218 HydrophobicContact CD2-CG1 4.1Å; I170-I218 HydrophobicContact CD1-CD1 3.74Å; I170-I218 HydrophobicContact CD1-CG1 3.66Å; I170-I218 HydrophobicContact CD1-CG2 4.47Å; L191-I218 HydrophobicContact CD2-CD1 4.06Å; L195-I218 HydrophobicContact CD1-CD1 3.94Å; T214-I218 HydrophobicContact CG2-CD1 3.9Å; T214-I218 HydrophobicContact CG2-CG1 4.47Å; T214-I218 WeakPolarHBondContact O-CB 3.4Å; T214-I218 WeakPolarHBondContact O-CG1 3.31Å; T214-I218 PolarHBondContact O-N 3.14Å; L215-I218 PolarHBondContact O-N 2.93Å; I218-R220 VanDerWaalsContact C-N 3.3Å; I218-R220 PolarHBondContact O-N 3.49Å; I218-L221 PolarHBondContact O-N 3.33Å; I218-S222 WeakPolarHBondContact O-CB 3.32Å; I218-S222 PolarHBondContact O-N 3.02Å; I218-S222 PolarHBondContact O-OG 3.48Å; I218-L238 HydrophobicContact CG2-CB 4.42Å; I218-L238 HydrophobicContact CG2-CD1 4.42Å; I218-L242 HydrophobicContact CG2-CD1 3.75Å
219I92.9Very high88.3Confident0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-58.6-43.7178.9-67.3159000110.9L215 C216 R223 L239 L242 V271 T274 L275L215-I219 WeakPolarHBondContact O-CD1 3.37Å; L215-I219 VanDerWaalsContact O-CG1 3.24Å; L215-I219 WeakPolarHBondContact O-CG1 3.48Å; L215-I219 PolarHBondContact O-N 3.5Å; C216-I219 PolarHBondContact O-N 3.48Å; I219-R223 WeakPolarHBondContact O-CB 3.34Å; I219-R223 VanDerWaalsContact O-CG 3.29Å; I219-R223 WeakPolarHBondContact O-CG 3.48Å; I219-R223 PolarHBondContact O-N 2.94Å; I219-R223 VanDerWaalsContact O-N 3.15Å; I219-L239 HydrophobicContact CG2-CD1 4.19Å; I219-L242 HydrophobicContact CG1-CB 4.43Å; I219-L242 HydrophobicContact CG1-CD1 3.98Å; I219-V271 HydrophobicContact CD1-CG1 4.15Å; I219-T274 HydrophobicContact CB-CG2 4.12Å; I219-T274 HydrophobicContact CD1-CG2 4.46Å; I219-T274 HydrophobicContact CG2-CG2 4Å; I219-L275 HydrophobicContact CD1-CD2 3.65Å; I219-L275 HydrophobicContact CD1-CG 3.81Å; I219-L275 HydrophobicContact CG1-CD2 4.14Å
220R91.4Very high86.5Confident86 Ų8640.4 Ų40.433%0.32521%0.206SC..Hα-helixtrans-67.6-50.6178.8-71.1170.5179156.3-0.5111.7C216 D217 I218 S222 R223 D224 T274 E277C216-R220 WeakPolarHBondContact O-CG 3.25Å; C216-R220 PolarHBondContact O-N 2.88Å; D217-R220 PolarHBondContact O-N 2.81Å; D217-R220 IonicContact OD1-NH1 3.35Å; I218-R220 VanDerWaalsContact C-N 3.3Å; I218-R220 PolarHBondContact O-N 3.49Å; R220-S222 PolarHBondContact O-N 2.98Å; R220-R223 PolarHBondContact O-N 2.69Å; R220-D224 WeakPolarHBondContact O-CB 3.19Å; R220-D224 PolarHBondContact O-N 2.88Å; R220-T274 HydrophobicContact CG-CG2 3.96Å; R220-E277 IonicContact CZ-OE1 2.9Å; R220-E277 IonicContact CZ-OE2 3.32Å; R220-E277 IonicContact NE-OE1 3.12Å; R220-E277 IonicContact NE-OE2 3.91Å; R220-E277 PolarHBondContact NE-OE2 3.44Å; R220-E277 IonicContact NH2-OE1 3.64Å; R220-E277 PolarHBondContact NH2-OE1 2.97Å; R220-E277 IonicContact NH2-OE2 2.79Å; R220-E277 PolarHBondContact NH2-OE2 3.24Å
221L89.6Confident84.5Confident54 Ų5448.5 Ų48.528%0.28324%0.243SC..Hα-helixtrans-58.3-45.3178.1-73.7171.6000112.2L167 D217 I218 D224 Q225L167-L221 HydrophobicContact CB-CD1 4.45Å; L167-L221 HydrophobicContact CD2-CD1 3.8Å; D217-L221 VanDerWaalsContact O-CB 3.3Å; D217-L221 WeakPolarHBondContact O-CB 3.45Å; D217-L221 VanDerWaalsContact O-CG 3.24Å; D217-L221 WeakPolarHBondContact O-CG 3.19Å; D217-L221 PolarHBondContact O-N 3.25Å; I218-L221 PolarHBondContact O-N 3.33Å; L221-D224 PolarHBondContact O-N 3.48Å; L221-Q225 WeakPolarHBondContact O-CB 3.48Å; L221-Q225 VanDerWaalsContact O-CG 3.3Å; L221-Q225 WeakPolarHBondContact O-CG 3.49Å; L221-Q225 PolarHBondContact O-N 2.96Å
222S88.4Confident82.4Confident0 Ų052.2 Ų52.20%026%0.262CS..Hα-helixtrans-65.6-37.7179-70.20000112.8I218 R220 A226 D236I218-S222 WeakPolarHBondContact O-CB 3.32Å; I218-S222 PolarHBondContact O-N 3.02Å; I218-S222 PolarHBondContact O-OG 3.48Å; R220-S222 PolarHBondContact O-N 2.98Å; S222-A226 VanDerWaalsContact O-CB 3.26Å; S222-A226 WeakPolarHBondContact O-CB 3.24Å; S222-A226 PolarHBondContact O-N 3.48Å; S222-D236 WeakPolarHBondContact CB-OD2 3.46Å; S222-D236 PolarHBondContact OG-OD1 3.4Å; S222-D236 PolarHBondContact OG-OD2 3.32Å
223R86.8Confident80.4Confident22 Ų2258 Ų588%0.08330%0.303CS..Hα-helixtrans-68.2-39.1174.7-75.2174.9175.2169.20.3112I219 R220 A226 S227 L239 E243 T274 L275 Y296I219-R223 WeakPolarHBondContact O-CB 3.34Å; I219-R223 VanDerWaalsContact O-CG 3.29Å; I219-R223 WeakPolarHBondContact O-CG 3.48Å; I219-R223 PolarHBondContact O-N 2.94Å; I219-R223 VanDerWaalsContact O-N 3.15Å; R220-R223 PolarHBondContact O-N 2.69Å; R223-A226 PolarHBondContact O-N 3.21Å; R223-S227 PolarHBondContact O-N 3.31Å; R223-S227 VanDerWaalsContact O-N 3.11Å; R223-L239 HydrophobicContact CG-CD1 4.16Å; R223-L239 HydrophobicContact CG-CD2 3.73Å; R223-E243 IonicContact CZ-OE1 3.77Å; R223-E243 IonicContact NE-OE1 3.46Å; R223-E243 PolarHBondContact NE-OE1 3.42Å; R223-E243 IonicContact NH2-OE1 2.67Å; R223-E243 PolarHBondContact NH2-OE1 3.45Å; R223-T274 PolarHBondContact NH1-O 3.37Å; R223-L275 PolarHBondContact NH2-O 3.17Å; R223-Y296 HydrophobicContact CB-CE2 4.44Å; R223-Y296 HydrophobicContact CG-CD1 4.4Å; R223-Y296 HydrophobicContact CG-CD2 4.26Å; R223-Y296 HydrophobicContact CG-CE1 4.25Å; R223-Y296 HydrophobicContact CG-CE2 4.1Å; R223-Y296 HydrophobicContact CG-CG 4.41Å
224D83.4Confident78.8Confident47 Ų4760.9 Ų60.925%0.25132%0.316SS..Hα-helixtrans-68.9-45178.8-78.124.5000111.8R220 L221 A226 S227 Q228 R279R220-D224 WeakPolarHBondContact O-CB 3.19Å; R220-D224 PolarHBondContact O-N 2.88Å; L221-D224 PolarHBondContact O-N 3.48Å; D224-A226 VanDerWaalsContact C-N 3.31Å; D224-A226 PolarHBondContact O-N 3.47Å; D224-S227 WeakPolarHBondContact O-CB 3.22Å; D224-S227 PolarHBondContact O-N 2.77Å; D224-S227 VanDerWaalsContact O-N 3.12Å; D224-Q228 PolarHBondContact O-N 2.98Å; D224-R279 IonicContact OD1-CZ 2.96Å; D224-R279 IonicContact OD1-NE 3.37Å; D224-R279 IonicContact OD1-NH1 3.53Å; D224-R279 PolarHBondContact OD1-NH1 2.95Å; D224-R279 IonicContact OD1-NH2 2.78Å; D224-R279 PolarHBondContact OD1-NH2 3.26Å; D224-R279 IonicContact OD2-CZ 2.68Å; D224-R279 IonicContact OD2-NH1 2.72Å; D224-R279 PolarHBondContact OD2-NH1 3.03Å; D224-R279 IonicContact OD2-NH2 3.21Å; D224-R279 PolarHBondContact OD2-NH2 3.13Å
225Q79.5Confident77.6Confident19 Ų1965.8 Ų65.89%0.08935%0.348CS..Hα-helixtrans-60.8-39.5173.2-71-171.55100112I170 L221 S227 Q228 L229I170-Q225 PolarHBondContact O-NE2 3.47Å; L221-Q225 WeakPolarHBondContact O-CB 3.48Å; L221-Q225 VanDerWaalsContact O-CG 3.3Å; L221-Q225 WeakPolarHBondContact O-CG 3.49Å; L221-Q225 PolarHBondContact O-N 2.96Å; Q225-S227 VanDerWaalsContact C-N 3.27Å; Q225-S227 PolarHBondContact O-N 2.92Å; Q225-Q228 PolarHBondContact O-N 3.15Å; Q225-L229 WeakPolarHBondContact O-CB 3.45Å; Q225-L229 WeakPolarHBondContact O-CG 3.3Å; Q225-L229 PolarHBondContact O-N 2.95Å
226A75.5Confident77.2Confident48 Ų4866.7 Ų66.740%0.39735%0.353SS..Hα-helixtrans-66.4-26175.800000113.5S222 R223 D224S222-A226 VanDerWaalsContact O-CB 3.26Å; S222-A226 WeakPolarHBondContact O-CB 3.24Å; S222-A226 PolarHBondContact O-N 3.48Å; R223-A226 PolarHBondContact O-N 3.21Å; D224-A226 VanDerWaalsContact C-N 3.31Å; D224-A226 PolarHBondContact O-N 3.47Å
227S72.1Confident76.9Confident60 Ų6067.7 Ų67.742%0.4236%0.359SS..Hα-helixtrans-73.9-36.3173.7-158.10000112.3R223 D224 Q225 Q230R223-S227 PolarHBondContact O-N 3.31Å; R223-S227 VanDerWaalsContact O-N 3.11Å; D224-S227 WeakPolarHBondContact O-CB 3.22Å; D224-S227 PolarHBondContact O-N 2.77Å; D224-S227 VanDerWaalsContact O-N 3.12Å; Q225-S227 VanDerWaalsContact C-N 3.27Å; Q225-S227 PolarHBondContact O-N 2.92Å; S227-Q230 VanDerWaalsContact O-CG 3.31Å; S227-Q230 WeakPolarHBondContact O-CG 3.4Å; S227-Q230 PolarHBondContact O-NE2 3.4Å; S227-Q230 VanDerWaalsContact O-NE2 3.08Å
228Q68.9Low76.8Confident148 Ų14866 Ų6669%0.69235%0.351SS*.Hα-helixtrans-78.7-42.3-178.7-66175.1-000113D224 Q225 Q230D224-Q228 PolarHBondContact O-N 2.98Å; Q225-Q228 PolarHBondContact O-N 3.15Å; Q228-Q230 VanDerWaalsContact C-N 3.29Å; Q228-Q230 PolarHBondContact O-N 2.86Å
229L61.3Low76.7Confident62 Ų6266 Ų6633%0.32535%0.351SS..  trans-87.846.3-167.9-65.1172.7000114.1Q225 E231 I232Q225-L229 WeakPolarHBondContact O-CB 3.45Å; Q225-L229 WeakPolarHBondContact O-CG 3.3Å; Q225-L229 PolarHBondContact O-N 2.95Å; L229-E231 PolarHBondContact O-N 2.83Å; L229-I232 PolarHBondContact O-N 3.03Å
230Q56.6Low76.6Confident163 Ų16368.6 Ų68.676%0.76237%0.372SS*.THydrogen-bonded Turntrans-59.7-15.6-169.8-58.3-174.112.700115.7S227 Q228S227-Q230 VanDerWaalsContact O-CG 3.31Å; S227-Q230 WeakPolarHBondContact O-CG 3.4Å; S227-Q230 PolarHBondContact O-NE2 3.4Å; S227-Q230 VanDerWaalsContact O-NE2 3.08Å; Q228-Q230 VanDerWaalsContact C-N 3.29Å; Q228-Q230 PolarHBondContact O-N 2.86Å
231E53.5Low76.8Confident194 Ų19465.7 Ų65.791%0.90736%0.364SS*.THydrogen-bonded Turntrans-79-19.4174.6-59.8-165.9141.600113.8L229L229-E231 PolarHBondContact O-N 2.83Å
232I53.4Low77Confident77 Ų7763.4 Ų63.440%0.39535%0.352SS..  trans-99.696-176.3-55.4179.7000109.7P176 L229 Q234P176-I232 HydrophobicContact CB-CD1 3.88Å; L229-I232 PolarHBondContact O-N 3.03Å; I232-Q234 HydrophobicContact CG2-CB 4.42Å; I232-Q234 PolarHBondContact O-N 2.97Å
233S55.3Low77.2Confident128 Ų12864 Ų6490%0.89536%0.355SS*.  trans-75.140.2-177.9-159.50000114.3
234Q63.9Low77.5Confident131 Ų13164.7 Ų64.761%0.61236%0.362SS*.SBendtrans-124.4131.5174.4-63.3-167.621.700109.9I232I232-Q234 HydrophobicContact CG2-CB 4.42Å; I232-Q234 PolarHBondContact O-N 2.97Å
235P72.9Confident78Confident104 Ų10466.3 Ų66.368%0.67537%0.369SS*.  trans-68.9150.3176.230.8-35000110.7
236D87.6Confident78.7Confident19 Ų1973 Ų7310%0.10240%0.4CS..  trans-58.5127.5171.3177.8-54.2000110S222 L238 L239 A240S222-D236 WeakPolarHBondContact CB-OD2 3.46Å; S222-D236 PolarHBondContact OG-OD1 3.4Å; S222-D236 PolarHBondContact OG-OD2 3.32Å; D236-L238 PolarHBondContact O-N 3.31Å; D236-L238 WeakPolarHBondContact OD1-CA 3.37Å; D236-L238 WeakPolarHBondContact OD1-CB 3.45Å; D236-L238 PolarHBondContact OD1-N 3.12Å; D236-L239 HydrophobicContact CB-CB 3.89Å; D236-L239 PolarHBondContact O-N 3.12Å; D236-L239 PolarHBondContact OD1-N 3.23Å; D236-A240 VanDerWaalsContact O-CB 3.29Å; D236-A240 WeakPolarHBondContact O-CB 3.4Å; D236-A240 PolarHBondContact O-N 3.1Å
237P91.9Very high79.6Confident20 Ų2071 Ų7113%0.1338%0.382CS..Hα-helixtrans-73.6-24.1-17330.3-36000113.6L183 N187L183-P237 HydrophobicContact CB-CG 3.7Å; N187-P237 HydrophobicContact CB-CB 4.33Å; N187-P237 PolarHBondContact ND2-O 2.95Å
238L93.3Very high80.8Confident1 Ų168.1 Ų68.11%0.00536%0.363CS..Hα-helixtrans-78.2-45.8173.8-62.6176.1000109.9I170 L183 L186 N187 L191 I218 D236 A240 V241 L242I170-L238 HydrophobicContact CD1-CD1 3.83Å; I170-L238 HydrophobicContact CG1-CD1 4.29Å; L183-L238 HydrophobicContact CD2-CD1 3.91Å; L186-L238 HydrophobicContact CB-CD1 4.43Å; L186-L238 HydrophobicContact CB-CD2 4.28Å; N187-L238 HydrophobicContact CB-CD2 3.91Å; L191-L238 HydrophobicContact CB-CD2 4.27Å; L191-L238 HydrophobicContact CD2-CD1 4.09Å; L191-L238 HydrophobicContact CD2-CD2 4.48Å; I218-L238 HydrophobicContact CG2-CB 4.42Å; I218-L238 HydrophobicContact CG2-CD1 4.42Å; D236-L238 PolarHBondContact O-N 3.31Å; D236-L238 WeakPolarHBondContact OD1-CA 3.37Å; D236-L238 WeakPolarHBondContact OD1-CB 3.45Å; D236-L238 PolarHBondContact OD1-N 3.12Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-A240 PolarHBondContact O-N 3.44Å; L238-V241 PolarHBondContact O-N 2.98Å; L238-V241 VanDerWaalsContact O-N 3.12Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 2.78Å
239L92.2Very high82.1Confident4 Ų464.6 Ų64.62%0.02135%0.346CS..Hα-helixtrans-61.5-42.5176.8-173.464.2000111.7I219 R223 D236 V241 L242 E243 Y296I219-L239 HydrophobicContact CG2-CD1 4.19Å; R223-L239 HydrophobicContact CG-CD1 4.16Å; R223-L239 HydrophobicContact CG-CD2 3.73Å; D236-L239 HydrophobicContact CB-CB 3.89Å; D236-L239 PolarHBondContact O-N 3.12Å; D236-L239 PolarHBondContact OD1-N 3.23Å; L239-V241 PolarHBondContact O-N 3.27Å; L239-L242 PolarHBondContact O-N 2.78Å; L239-L242 VanDerWaalsContact O-N 3.13Å; L239-E243 HydrophobicContact CD1-CG 4Å; L239-E243 HydrophobicContact CG-CG 4.28Å; L239-E243 WeakPolarHBondContact O-CG 3.46Å; L239-E243 PolarHBondContact O-N 3.02Å; L239-Y296 HydrophobicContact CD2-CE1 4.4Å; L239-Y296 WeakPolarHBondContact CD2-OH 3.35Å
240A91.6Very high83.7Confident54 Ų5463.9 Ų63.945%0.44634%0.341SS..Hα-helixtrans-60.9-28.1176.300000113.2D236 L238D236-A240 VanDerWaalsContact O-CB 3.29Å; D236-A240 WeakPolarHBondContact O-CB 3.4Å; D236-A240 PolarHBondContact O-N 3.1Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-A240 PolarHBondContact O-N 3.44Å
241V94.3Very high85.6Confident25 Ų2556.2 Ų56.215%0.15231%0.306CS..Hα-helixtrans-80.7-43.1171.8164.30000111.4N187 A192 Q193 L238 L239 E243 S244 C247N187-V241 WeakPolarHBondContact OD1-CG2 3.38Å; A192-V241 HydrophobicContact CB-CG1 3.82Å; Q193-V241 VanDerWaalsContact NE2-CG1 3.33Å; L238-V241 PolarHBondContact O-N 2.98Å; L238-V241 VanDerWaalsContact O-N 3.12Å; L239-V241 PolarHBondContact O-N 3.27Å; V241-E243 VanDerWaalsContact C-N 3.33Å; V241-E243 PolarHBondContact O-N 3.28Å; V241-S244 VanDerWaalsContact O-CB 3.27Å; V241-S244 WeakPolarHBondContact O-CB 3.42Å; V241-S244 PolarHBondContact O-N 3.1Å; V241-S244 PolarHBondContact O-OG 2.68Å; V241-C247 WeakPolarHBondContact O-CB 3.19Å; V241-C247 PolarHBondContact O-SG 3.4Å; V241-C247 VanDerWaalsContact O-SG 3.38Å
242L94.2Very high87.7Confident6 Ų647 Ų473%0.03126%0.262CS..Hα-helixtrans-65.1-33.7-179.6-70.5164.6000113.1A192 L215 I218 I219 L238 L239 S244 L275A192-L242 HydrophobicContact CB-CD2 3.64Å; A192-L242 HydrophobicContact CB-CG 3.87Å; L215-L242 HydrophobicContact CD2-CD2 3.5Å; L215-L242 VanDerWaalsContact CD2-CD2 3.5Å; I218-L242 HydrophobicContact CG2-CD1 3.75Å; I219-L242 HydrophobicContact CG1-CB 4.43Å; I219-L242 HydrophobicContact CG1-CD1 3.98Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 2.78Å; L239-L242 PolarHBondContact O-N 2.78Å; L239-L242 VanDerWaalsContact O-N 3.13Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-L275 HydrophobicContact CB-CD2 4.49Å
243E92.3Very high89.6Confident13 Ų1350 Ų506%0.06127%0.274CS..THydrogen-bonded Turntrans-850.1173.1-60.5-167163.300113.5R223 L239 V241 L275 N299 S301 I302R223-E243 IonicContact CZ-OE1 3.77Å; R223-E243 IonicContact NE-OE1 3.46Å; R223-E243 PolarHBondContact NE-OE1 3.42Å; R223-E243 IonicContact NH2-OE1 2.67Å; R223-E243 PolarHBondContact NH2-OE1 3.45Å; L239-E243 HydrophobicContact CD1-CG 4Å; L239-E243 HydrophobicContact CG-CG 4.28Å; L239-E243 WeakPolarHBondContact O-CG 3.46Å; L239-E243 PolarHBondContact O-N 3.02Å; V241-E243 VanDerWaalsContact C-N 3.33Å; V241-E243 PolarHBondContact O-N 3.28Å; E243-L275 HydrophobicContact CG-CD2 4.13Å; E243-N299 HydrophobicContact CB-CB 4.21Å; E243-S301 WeakPolarHBondContact O-CB 3.48Å; E243-S301 PolarHBondContact O-OG 3.3Å; E243-I302 HydrophobicContact CB-CD1 4.06Å; E243-I302 HydrophobicContact CB-CG1 4.37Å; E243-I302 HydrophobicContact CG-CD1 4.04Å
244S93.7Very high91.5Very high35 Ų3544.9 Ų44.925%0.24524%0.237CC..SBendtrans-77.3146.2179.577.50000112.4V241 L242 E246 C247 V248V241-S244 VanDerWaalsContact O-CB 3.27Å; V241-S244 WeakPolarHBondContact O-CB 3.42Å; V241-S244 PolarHBondContact O-N 3.1Å; V241-S244 PolarHBondContact O-OG 2.68Å; L242-S244 VanDerWaalsContact C-N 3.32Å; S244-E246 VanDerWaalsContact C-N 3.35Å; S244-E246 PolarHBondContact O-N 3.19Å; S244-C247 WeakPolarHBondContact O-CB 3.43Å; S244-C247 PolarHBondContact O-N 3.25Å; S244-C247 VanDerWaalsContact OG-CB 3.3Å; S244-C247 WeakPolarHBondContact OG-CB 3.48Å; S244-V248 PolarHBondContact O-N 2.99Å
245Q93.7Very high92.9Very high82 Ų8238.8 Ų38.838%0.38321%0.209SC..Hα-helixtrans-59.9-42.8-176.3-169.1-178.2-30.100112.2C247 V248 E249 A305Q245-C247 VanDerWaalsContact C-N 3.31Å; Q245-C247 PolarHBondContact O-N 2.9Å; Q245-V248 PolarHBondContact O-N 3.5Å; Q245-E249 HydrophobicContact CG-CG 4.32Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.37Å; Q245-E249 PolarHBondContact NE2-OE1 3.01Å; Q245-E249 WeakPolarHBondContact O-CB 3.2Å; Q245-E249 VanDerWaalsContact O-CG 3.31Å; Q245-E249 WeakPolarHBondContact O-CG 3.42Å; Q245-E249 PolarHBondContact O-N 3.19Å; Q245-A305 HydrophobicContact CG-CB 4.01Å
246E94.7Very high93.8Very high160 Ų16036.1 Ų36.175%0.74819%0.187SC*.Hα-helixtrans-58.2-40.8177.9-178.2179.7174.600112.4S244 Q250S244-E246 VanDerWaalsContact C-N 3.35Å; S244-E246 PolarHBondContact O-N 3.19Å; E246-Q250 WeakPolarHBondContact O-CB 3.48Å; E246-Q250 PolarHBondContact O-N 3.41Å
247C95.1Very high93.8Very high4 Ų436.7 Ų36.73%0.02719%0.192CC..Hα-helixtrans-70.4-42.5-178.6-161.10000111.8I196 V241 S244 Q245 Q250 L251I196-C247 WeakPolarHBondContact CD1-SG 3.37Å; V241-C247 WeakPolarHBondContact O-CB 3.19Å; V241-C247 PolarHBondContact O-SG 3.4Å; V241-C247 VanDerWaalsContact O-SG 3.38Å; S244-C247 WeakPolarHBondContact O-CB 3.43Å; S244-C247 PolarHBondContact O-N 3.25Å; S244-C247 VanDerWaalsContact OG-CB 3.3Å; S244-C247 WeakPolarHBondContact OG-CB 3.48Å; Q245-C247 VanDerWaalsContact C-N 3.31Å; Q245-C247 PolarHBondContact O-N 2.9Å; C247-Q250 PolarHBondContact O-N 2.94Å; C247-L251 PolarHBondContact O-N 3.05Å; C247-L251 VanDerWaalsContact O-N 3.11Å
248V96.3Very high93.2Very high1 Ų139.9 Ų39.91%0.00623%0.229CC..Hα-helixtrans-70.1-37.8175.8-178.10000111.3S244 Q245 L251 L252 L272 L275 I302 A305 I306S244-V248 PolarHBondContact O-N 2.99Å; Q245-V248 PolarHBondContact O-N 3.5Å; V248-L251 PolarHBondContact O-N 2.87Å; V248-L252 HydrophobicContact CG1-CD1 3.94Å; V248-L252 WeakPolarHBondContact O-CB 3.39Å; V248-L252 WeakPolarHBondContact O-CD1 3.38Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.45Å; V248-L252 PolarHBondContact O-N 3.15Å; V248-L272 HydrophobicContact CG1-CD2 3.72Å; V248-L275 HydrophobicContact CG2-CD1 3.87Å; V248-I302 HydrophobicContact CG2-CG1 4.41Å; V248-A305 HydrophobicContact CB-CB 3.7Å; V248-A305 HydrophobicContact CG1-CB 3.52Å; V248-I306 HydrophobicContact CG1-CG1 4.27Å
249E95.6Very high92.5Very high74 Ų7447.8 Ų47.835%0.34627%0.266SS..Hα-helixtrans-64.6-39.6172.7-75.8177-18000112.1Q245 L252 Q253 A305Q245-E249 HydrophobicContact CG-CG 4.32Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.37Å; Q245-E249 PolarHBondContact NE2-OE1 3.01Å; Q245-E249 WeakPolarHBondContact O-CB 3.2Å; Q245-E249 VanDerWaalsContact O-CG 3.31Å; Q245-E249 WeakPolarHBondContact O-CG 3.42Å; Q245-E249 PolarHBondContact O-N 3.19Å; E249-L252 PolarHBondContact O-N 3.48Å; E249-Q253 VanDerWaalsContact O-CB 3.3Å; E249-Q253 WeakPolarHBondContact O-CB 3.46Å; E249-Q253 PolarHBondContact O-N 2.96Å; E249-A305 HydrophobicContact CG-CB 3.81Å
250Q96Very high92.1Very high47 Ų4752.8 Ų52.822%0.2228%0.284CS..Hα-helixtrans-61.6-43.9173.9-172.8-178.65.800111.7I196 E246 C247 Q253 N254I196-Q250 HydrophobicContact CG2-CB 4.41Å; I196-Q250 HydrophobicContact CG2-CG 4.07Å; E246-Q250 WeakPolarHBondContact O-CB 3.48Å; E246-Q250 PolarHBondContact O-N 3.41Å; C247-Q250 PolarHBondContact O-N 2.94Å; Q250-Q253 PolarHBondContact O-N 3.19Å; Q250-N254 PolarHBondContact O-N 2.72Å; Q250-N254 PolarHBondContact O-OD1 3.29Å
251L97Very high91.8Very high2 Ų251.5 Ų51.51%0.0127%0.274CS..Hα-helixtrans-61.6-48.5175.9-179.964.8000111.5I196 I199 C247 V248 Q253 N254 M255 V271 L272I196-L251 HydrophobicContact CG2-CB 3.95Å; I196-L251 HydrophobicContact CG2-CD1 4.13Å; I199-L251 HydrophobicContact CB-CD1 4.25Å; I199-L251 HydrophobicContact CD1-CD1 4.04Å; I199-L251 HydrophobicContact CG2-CD1 4.13Å; C247-L251 PolarHBondContact O-N 3.05Å; C247-L251 VanDerWaalsContact O-N 3.11Å; V248-L251 PolarHBondContact O-N 2.87Å; L251-Q253 VanDerWaalsContact C-N 3.32Å; L251-Q253 PolarHBondContact O-N 2.78Å; L251-N254 PolarHBondContact O-N 2.79Å; L251-M255 HydrophobicContact CG-SD 4.09Å; L251-M255 VanDerWaalsContact O-CG 3.26Å; L251-M255 WeakPolarHBondContact O-CG 3.46Å; L251-M255 PolarHBondContact O-N 3.37Å; L251-V271 HydrophobicContact CD2-CB 3.89Å; L251-V271 HydrophobicContact CD2-CG1 3.87Å; L251-L272 HydrophobicContact CD2-CD2 4.2Å; L251-L272 HydrophobicContact CD2-CG 4.19Å
252L96Very high91.6Very high0 Ų051.8 Ų51.80%027%0.273CS..Hα-helixtrans-61.7-39.2177.4-71.4163.5000111.9V248 E249 N254 M255 F256 L272 A305 I306 H309 F313V248-L252 HydrophobicContact CG1-CD1 3.94Å; V248-L252 WeakPolarHBondContact O-CB 3.39Å; V248-L252 WeakPolarHBondContact O-CD1 3.38Å; V248-L252 VanDerWaalsContact O-CG 3.28Å; V248-L252 WeakPolarHBondContact O-CG 3.45Å; V248-L252 PolarHBondContact O-N 3.15Å; E249-L252 PolarHBondContact O-N 3.48Å; L252-N254 PolarHBondContact O-N 3.48Å; L252-M255 HydrophobicContact CD2-SD 4.18Å; L252-M255 PolarHBondContact O-N 2.92Å; L252-F256 HydrophobicContact CD2-CE2 4.07Å; L252-F256 WeakPolarHBondContact O-CD2 3.28Å; L252-F256 PolarHBondContact O-N 2.92Å; L252-L272 HydrophobicContact CD2-CD1 3.77Å; L252-A305 HydrophobicContact CD1-CB 4.31Å; L252-A305 VanDerWaalsContact CD1-O 3.31Å; L252-A305 WeakPolarHBondContact CD1-O 3.3Å; L252-I306 HydrophobicContact CD1-CG1 4.19Å; L252-H309 HydrophobicContact CD1-CB 4.34Å; L252-H309 HydrophobicContact CD2-CB 4.14Å; L252-F313 HydrophobicContact CD2-CE2 3.7Å; L252-F313 HydrophobicContact CD2-CZ 3.63Å
253Q94.8Very high91.5Very high139 Ų13952.3 Ų52.365%0.6528%0.278SS*.Hα-helixtrans-61.8-42.9174.8-176.5174.81.800111.4E249 Q250 L251 F256 S257E249-Q253 VanDerWaalsContact O-CB 3.3Å; E249-Q253 WeakPolarHBondContact O-CB 3.46Å; E249-Q253 PolarHBondContact O-N 2.96Å; Q250-Q253 PolarHBondContact O-N 3.19Å; L251-Q253 VanDerWaalsContact C-N 3.32Å; L251-Q253 PolarHBondContact O-N 2.78Å; Q253-F256 PolarHBondContact O-N 3.36Å; Q253-S257 WeakPolarHBondContact O-CB 3.35Å; Q253-S257 PolarHBondContact O-N 3.43Å
254N94.1Very high91.5Very high22 Ų2251.8 Ų51.812%0.11828%0.275CS..Hα-helixtrans-65.8-43.5177.4-67.7-6.2000111.9I196 I199 Q250 L251 L252 F256 S257I196-N254 PolarHBondContact O-ND2 2.99Å; I199-N254 WeakPolarHBondContact O-CB 3.48Å; I199-N254 PolarHBondContact O-ND2 3.02Å; Q250-N254 PolarHBondContact O-N 2.72Å; Q250-N254 PolarHBondContact O-OD1 3.29Å; L251-N254 PolarHBondContact O-N 2.79Å; L252-N254 PolarHBondContact O-N 3.48Å; N254-F256 PolarHBondContact O-N 3.13Å; N254-S257 PolarHBondContact O-N 3.45Å; N254-S257 PolarHBondContact O-OG 2.94Å
255M94.4Very high91.6Very high3 Ų350.1 Ų50.12%0.01526%0.264CS..Hα-helixtrans-59.4-26.3178.1-68.4166.268.600114.1L251 L252 G268 I269 L272 F313L251-M255 HydrophobicContact CG-SD 4.09Å; L251-M255 VanDerWaalsContact O-CG 3.26Å; L251-M255 WeakPolarHBondContact O-CG 3.46Å; L251-M255 PolarHBondContact O-N 3.37Å; L252-M255 HydrophobicContact CD2-SD 4.18Å; L252-M255 PolarHBondContact O-N 2.92Å; M255-G268 VanDerWaalsContact SD-CA 3.56Å; M255-I269 HydrophobicContact CE-CG1 3.7Å; M255-L272 HydrophobicContact CE-CD1 4.1Å; M255-L272 HydrophobicContact SD-CD1 4.04Å; M255-F313 HydrophobicContact CE-CE1 3.66Å; M255-F313 HydrophobicContact CE-CZ 3.76Å
256F91.9Very high91.7Very high48 Ų4847.7 Ų47.721%0.21125%0.254CS..THydrogen-bonded Turntrans-116.19.9-177.1-57.6-53.1000114.1L252 Q253 N254 H309 H312 F313 L316L252-F256 HydrophobicContact CD2-CE2 4.07Å; L252-F256 WeakPolarHBondContact O-CD2 3.28Å; L252-F256 PolarHBondContact O-N 2.92Å; Q253-F256 PolarHBondContact O-N 3.36Å; N254-F256 PolarHBondContact O-N 3.13Å; F256-H309 HydrophobicContact CE2-CB 4.13Å; F256-H312 HydrophobicContact CD1-CB 3.83Å; F256-H312 AromaticContact CD1-ND1 3.96Å; F256-H312 HydrophobicContact CD2-CB 3.93Å; F256-H312 AromaticContact CD2-ND1 3.89Å; F256-H312 HydrophobicContact CE1-CB 3.57Å; F256-H312 HydrophobicContact CE2-CB 3.69Å; F256-H312 HydrophobicContact CG-CB 4Å; F256-H312 AromaticContact CG-ND1 3.57Å; F256-H312 HydrophobicContact CZ-CB 3.5Å; F256-H312 VanDerWaalsContact CZ-CB 3.5Å; F256-F313 HydrophobicContact CE1-CE1 4.49Å; F256-F313 HydrophobicContact CE2-CE1 4.43Å; F256-F313 HydrophobicContact CE2-CE2 4.21Å; F256-F313 HydrophobicContact CE2-CZ 4.09Å; F256-F313 AromaticContact CZ-CD1 3.86Å; F256-F313 HydrophobicContact CZ-CD1 3.86Å; F256-F313 HydrophobicContact CZ-CD2 4.26Å; F256-F313 AromaticContact CZ-CE1 3.63Å; F256-F313 HydrophobicContact CZ-CE1 3.63Å; F256-F313 HydrophobicContact CZ-CE2 4.05Å; F256-F313 HydrophobicContact CZ-CG 4.18Å; F256-F313 AromaticContact CZ-CZ 3.74Å; F256-F313 HydrophobicContact CZ-CZ 3.74Å; F256-L316 HydrophobicContact CE1-CD1 3.89Å
257S85.9Confident91.7Very high30 Ų3040.3 Ų40.321%0.2122%0.22CC..SBendtrans-78.8153.5170.768.40000111.6H200 Q253 N254 E259H200-S257 PolarHBondContact CD2-OG 2.75Å; H200-S257 PolarHBondContact NE2-OG 2.87Å; H200-S257 VanDerWaalsContact NE2-OG 3.15Å; Q253-S257 WeakPolarHBondContact O-CB 3.35Å; Q253-S257 PolarHBondContact O-N 3.43Å; N254-S257 PolarHBondContact O-N 3.45Å; N254-S257 PolarHBondContact O-OG 2.94Å; S257-E259 PolarHBondContact O-N 3.32Å
258G79.9Confident91.8Very high87 Ų8740.1 Ų40.190%0.89722%0.219SC*.SBendtrans58.9-130.9168.800000115.5
259E79.4Confident91.9Very high168 Ų16840.1 Ų40.179%0.78522%0.219SC*.SBendtrans-95145.3177.6-177.3161.5-155.400111S257 A261S257-E259 PolarHBondContact O-N 3.32Å; E259-A261 VanDerWaalsContact C-N 3.28Å; E259-A261 PolarHBondContact O-N 3.27Å
260R82.3Confident91.9Very high109 Ų10938.9 Ų38.941%0.41121%0.213SC..  trans-73.174-176-65.1-175.7-178.3171.28.1112.2E262 I265 E319 P321R260-E262 PolarHBondContact O-N 3Å; R260-I265 HydrophobicContact CB-CD1 4.06Å; R260-E319 PolarHBondContact NH1-O 3.48Å; R260-P321 HydrophobicContact CB-CG 4.26Å; R260-P321 WeakPolarHBondContact O-CG 3.44Å
261A86.8Confident92Very high27 Ų2736.8 Ų36.822%0.22320%0.203CC..  trans-66.1124.4169.300000110.4P201 E259 S263 C264 I265P201-A261 HydrophobicContact CB-CB 3.97Å; P201-A261 HydrophobicContact CG-CB 4.49Å; E259-A261 VanDerWaalsContact C-N 3.28Å; E259-A261 PolarHBondContact O-N 3.27Å; A261-S263 PolarHBondContact O-N 3.37Å; A261-C264 HydrophobicContact CB-CB 4.17Å; A261-C264 PolarHBondContact O-N 3.4Å; A261-I265 WeakPolarHBondContact O-CD1 3.42Å; A261-I265 WeakPolarHBondContact O-CG1 3.35Å; A261-I265 PolarHBondContact O-N 2.9Å
262E89.9Confident91.9Very high30 Ų3036.7 Ų36.714%0.1420%0.203CC..Hα-helixtrans-62.9-43.2179.6173.8163104.900111.9R260 C264 I265 V266 P321 R323 N339 T340R260-E262 PolarHBondContact O-N 3Å; E262-C264 VanDerWaalsContact C-N 3.28Å; E262-C264 PolarHBondContact O-N 3.49Å; E262-I265 PolarHBondContact O-N 3.27Å; E262-I265 VanDerWaalsContact O-N 3.14Å; E262-V266 HydrophobicContact CG-CG2 3.66Å; E262-V266 WeakPolarHBondContact O-CB 3.43Å; E262-V266 WeakPolarHBondContact O-CG2 2.86Å; E262-V266 PolarHBondContact O-N 3.26Å; E262-P321 HydrophobicContact CB-CB 4.38Å; E262-P321 HydrophobicContact CB-CG 4.17Å; E262-R323 IonicContact OE1-CZ 2.69Å; E262-R323 IonicContact OE1-NH1 2.68Å; E262-R323 PolarHBondContact OE1-NH1 3.5Å; E262-R323 IonicContact OE1-NH2 2.76Å; E262-R323 PolarHBondContact OE1-NH2 3.18Å; E262-R323 IonicContact OE2-CZ 3.89Å; E262-R323 IonicContact OE2-NH1 2.77Å; E262-R323 PolarHBondContact OE2-NH1 3Å; E262-N339 WeakPolarHBondContact OE1-CB 3.25Å; E262-N339 PolarHBondContact OE1-ND2 3.34Å; E262-N339 PolarHBondContact OE2-N 3.49Å; E262-T340 WeakPolarHBondContact CG-OG1 3.41Å; E262-T340 PolarHBondContact OE2-N 3.38Å; E262-T340 PolarHBondContact OE2-OG1 3.11Å
263S90.8Very high91.8Very high18 Ų1837.7 Ų37.713%0.12621%0.208CC..Hα-helixtrans-52.6-45.6179.446.20000112.4Q208 A261 V266 S267Q208-S263 PolarHBondContact OE1-OG 2.98Å; A261-S263 PolarHBondContact O-N 3.37Å; S263-V266 PolarHBondContact O-N 2.93Å; S263-S267 WeakPolarHBondContact O-CB 3.28Å; S263-S267 PolarHBondContact O-N 2.86Å; S263-S267 PolarHBondContact O-OG 3.24Å
264C94.1Very high91.8Very high1 Ų131 Ų311%0.00718%0.177CC..Hα-helixtrans-66.5-41.8180-173.60000111.7P201 A261 E262 G268P201-C264 HydrophobicContact CG-CB 4.2Å; A261-C264 HydrophobicContact CB-CB 4.17Å; A261-C264 PolarHBondContact O-N 3.4Å; E262-C264 VanDerWaalsContact C-N 3.28Å; E262-C264 PolarHBondContact O-N 3.49Å; C264-G268 PolarHBondContact O-N 2.86Å
265I94.7Very high91.7Very high1 Ų130.1 Ų30.11%0.00517%0.172CC..Hα-helixtrans-68.7-44178.8-64.8164.8000110.9R260 A261 E262 I269 L316 P321 T340R260-I265 HydrophobicContact CB-CD1 4.06Å; A261-I265 WeakPolarHBondContact O-CD1 3.42Å; A261-I265 WeakPolarHBondContact O-CG1 3.35Å; A261-I265 PolarHBondContact O-N 2.9Å; E262-I265 PolarHBondContact O-N 3.27Å; E262-I265 VanDerWaalsContact O-N 3.14Å; I265-I269 HydrophobicContact CG2-CD1 3.8Å; I265-I269 WeakPolarHBondContact O-CB 3.41Å; I265-I269 WeakPolarHBondContact O-CG1 3.27Å; I265-I269 PolarHBondContact O-N 2.95Å; I265-L316 HydrophobicContact CD1-CD1 4.24Å; I265-L316 HydrophobicContact CD1-CD2 4Å; I265-L316 HydrophobicContact CG2-CD1 3.64Å; I265-P321 HydrophobicContact CD1-CG 4.29Å; I265-T340 HydrophobicContact CG2-CG2 4Å
266V95.1Very high91.5Very high30 Ų3030.2 Ų30.218%0.18217%0.173CC..Hα-helixtrans-67.2-45.8179.21700000110.8E262 S263 I269 Q270 N339E262-V266 HydrophobicContact CG-CG2 3.66Å; E262-V266 WeakPolarHBondContact O-CB 3.43Å; E262-V266 WeakPolarHBondContact O-CG2 2.86Å; E262-V266 PolarHBondContact O-N 3.26Å; S263-V266 PolarHBondContact O-N 2.93Å; V266-I269 PolarHBondContact O-N 3.45Å; V266-Q270 WeakPolarHBondContact O-CB 3.37Å; V266-Q270 PolarHBondContact O-N 2.82Å; V266-N339 HydrophobicContact CG2-CB 3.9Å
267S96.3Very high91.2Very high6 Ų631.2 Ų31.24%0.04218%0.178CC..Hα-helixtrans-56.2-52.7173.5-64.80000111.4S212 S263 I269 Q270 V271S212-S267 PolarHBondContact OG-O 2.88Å; S263-S267 WeakPolarHBondContact O-CB 3.28Å; S263-S267 PolarHBondContact O-N 2.86Å; S263-S267 PolarHBondContact O-OG 3.24Å; S267-I269 PolarHBondContact O-N 2.96Å; S267-Q270 WeakPolarHBondContact O-CB 3.24Å; S267-Q270 PolarHBondContact O-N 2.88Å; S267-V271 PolarHBondContact O-N 3.1Å; S267-V271 VanDerWaalsContact O-N 3.1Å
268G96.8Very high90.4Very high0 Ų032.6 Ų32.60%018%0.182CC..Hα-helixtrans-61.1-41.5178.500000113.2M255 C264 Q270 V271 L272M255-G268 VanDerWaalsContact SD-CA 3.56Å; C264-G268 PolarHBondContact O-N 2.86Å; G268-Q270 VanDerWaalsContact C-N 3.31Å; G268-Q270 PolarHBondContact O-N 3.34Å; G268-V271 PolarHBondContact O-N 3.44Å; G268-L272 VanDerWaalsContact O-CG 3.28Å; G268-L272 WeakPolarHBondContact O-CG 3.41Å; G268-L272 PolarHBondContact O-N 3.32Å
269I97.1Very high89.3Confident0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-63.8-36.2173.4-66.8166.7000111.5M255 I265 V266 S267 L272 L273 F313 H343 V344 L347M255-I269 HydrophobicContact CE-CG1 3.7Å; I265-I269 HydrophobicContact CG2-CD1 3.8Å; I265-I269 WeakPolarHBondContact O-CB 3.41Å; I265-I269 WeakPolarHBondContact O-CG1 3.27Å; I265-I269 PolarHBondContact O-N 2.95Å; V266-I269 PolarHBondContact O-N 3.45Å; S267-I269 PolarHBondContact O-N 2.96Å; I269-L272 PolarHBondContact O-N 3.05Å; I269-L273 HydrophobicContact CG2-CD1 3.87Å; I269-L273 HydrophobicContact CG2-CG 4.05Å; I269-L273 WeakPolarHBondContact O-CB 3.38Å; I269-L273 VanDerWaalsContact O-CG 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.34Å; I269-L273 PolarHBondContact O-N 3.36Å; I269-F313 HydrophobicContact CD1-CD1 4.37Å; I269-F313 HydrophobicContact CD1-CE1 4.03Å; I269-F313 HydrophobicContact CG1-CE1 3.75Å; I269-H343 HydrophobicContact CB-CB 4.22Å; I269-H343 HydrophobicContact CD1-CB 3.89Å; I269-H343 HydrophobicContact CG2-CB 3.85Å; I269-H343 WeakPolarHBondContact CG2-O 3.45Å; I269-V344 HydrophobicContact CD1-CG2 3.69Å; I269-L347 HydrophobicContact CG1-CD2 4.32Å; I269-L347 HydrophobicContact CG2-CB 4Å; I269-L347 HydrophobicContact CG2-CD2 4.39Å
270Q96.7Very high87.7Confident49 Ų4937.2 Ų37.223%0.22917%0.166CC..Hα-helixtrans-64.9-41178.9-173.851.462.800111.9V266 S267 G268 L273 T274V266-Q270 WeakPolarHBondContact O-CB 3.37Å; V266-Q270 PolarHBondContact O-N 2.82Å; S267-Q270 WeakPolarHBondContact O-CB 3.24Å; S267-Q270 PolarHBondContact O-N 2.88Å; G268-Q270 VanDerWaalsContact C-N 3.31Å; G268-Q270 PolarHBondContact O-N 3.34Å; Q270-L273 PolarHBondContact O-N 3.44Å; Q270-T274 PolarHBondContact NE2-OG1 2.81Å; Q270-T274 PolarHBondContact O-N 3.4Å; Q270-T274 VanDerWaalsContact O-N 3.07Å; Q270-T274 PolarHBondContact O-OG1 3.4Å
271V97.6Very high85.6Confident2 Ų234.6 Ų34.61%0.01216%0.163CC..Hα-helixtrans-64.2-43.6172-179.30000111.3I199 S212 L215 I219 L251 S267 G268 L273 T274 L275I199-V271 HydrophobicContact CD1-CG2 4.05Å; S212-V271 WeakPolarHBondContact OG-CG2 3.48Å; L215-V271 HydrophobicContact CB-CG1 4.29Å; L215-V271 HydrophobicContact CB-CG2 3.93Å; L215-V271 HydrophobicContact CD1-CG2 4.08Å; I219-V271 HydrophobicContact CD1-CG1 4.15Å; L251-V271 HydrophobicContact CD2-CB 3.89Å; L251-V271 HydrophobicContact CD2-CG1 3.87Å; S267-V271 PolarHBondContact O-N 3.1Å; S267-V271 VanDerWaalsContact O-N 3.1Å; G268-V271 PolarHBondContact O-N 3.44Å; V271-L273 VanDerWaalsContact C-N 3.35Å; V271-L273 PolarHBondContact O-N 2.88Å; V271-T274 PolarHBondContact O-N 3.06Å; V271-L275 HydrophobicContact CG1-CD1 4.37Å; V271-L275 WeakPolarHBondContact O-CG 3.49Å; V271-L275 PolarHBondContact O-N 3.39Å
272L96.1Very high83.2Confident0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-62.1-40176.4-66.4171.7000112.3V248 L251 L252 M255 G268 I269 L275 L276 I306 F313 L347V248-L272 HydrophobicContact CG1-CD2 3.72Å; L251-L272 HydrophobicContact CD2-CD2 4.2Å; L251-L272 HydrophobicContact CD2-CG 4.19Å; L252-L272 HydrophobicContact CD2-CD1 3.77Å; M255-L272 HydrophobicContact CE-CD1 4.1Å; M255-L272 HydrophobicContact SD-CD1 4.04Å; G268-L272 VanDerWaalsContact O-CG 3.28Å; G268-L272 WeakPolarHBondContact O-CG 3.41Å; G268-L272 PolarHBondContact O-N 3.32Å; I269-L272 PolarHBondContact O-N 3.05Å; L272-L275 PolarHBondContact O-N 2.98Å; L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.39Å; L272-L276 PolarHBondContact O-N 3.18Å; L272-I306 HydrophobicContact CD2-CD1 4.06Å; L272-I306 HydrophobicContact CD2-CG1 4.11Å; L272-F313 HydrophobicContact CD1-CZ 3.81Å; L272-L347 HydrophobicContact CB-CD1 4.1Å; L272-L347 HydrophobicContact CD1-CD2 4.3Å
273L94Very high80.7Confident21 Ų2143.6 Ų43.611%0.1122%0.216CC..Hα-helixtrans-61.4-44.3174.9-77.9170.7000111.1I269 Q270 V271 L276 E277 R346 L347I269-L273 HydrophobicContact CG2-CD1 3.87Å; I269-L273 HydrophobicContact CG2-CG 4.05Å; I269-L273 WeakPolarHBondContact O-CB 3.38Å; I269-L273 VanDerWaalsContact O-CG 3.3Å; I269-L273 WeakPolarHBondContact O-CG 3.34Å; I269-L273 PolarHBondContact O-N 3.36Å; Q270-L273 PolarHBondContact O-N 3.44Å; V271-L273 VanDerWaalsContact C-N 3.35Å; V271-L273 PolarHBondContact O-N 2.88Å; L273-L276 CarbonylContact O-C 3.33Å; L273-L276 VanDerWaalsContact O-C 3.23Å; L273-L276 WeakPolarHBondContact O-CA 3.45Å; L273-L276 PolarHBondContact O-N 3.25Å; L273-E277 PolarHBondContact O-N 2.92Å; L273-R346 HydrophobicContact CD1-CB 4Å; L273-R346 HydrophobicContact CD2-CB 4.26Å; L273-L347 HydrophobicContact CD2-CD1 4.4Å
274T94.4Very high77.9Confident0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-71.6-31.8178.1-58.40000113C216 I219 R220 R223 Q270 V271 L276 E277C216-T274 HydrophobicContact CB-CG2 4.09Å; C216-T274 PolarHBondContact SG-OG1 3.14Å; I219-T274 HydrophobicContact CB-CG2 4.12Å; I219-T274 HydrophobicContact CD1-CG2 4.46Å; I219-T274 HydrophobicContact CG2-CG2 4Å; R220-T274 HydrophobicContact CG-CG2 3.96Å; R223-T274 PolarHBondContact NH1-O 3.37Å; Q270-T274 PolarHBondContact NE2-OG1 2.81Å; Q270-T274 PolarHBondContact O-N 3.4Å; Q270-T274 VanDerWaalsContact O-N 3.07Å; Q270-T274 PolarHBondContact O-OG1 3.4Å; V271-T274 PolarHBondContact O-N 3.06Å; T274-L276 PolarHBondContact O-N 2.67Å; T274-E277 VanDerWaalsContact CA-OE1 3.29Å; T274-E277 WeakPolarHBondContact CA-OE1 3.34Å; T274-E277 WeakPolarHBondContact CB-OE1 3.48Å; T274-E277 WeakPolarHBondContact O-CB 3.38Å; T274-E277 PolarHBondContact O-N 3.16Å; T274-E277 PolarHBondContact OG1-OE1 3.24Å
275L92.3Very high75.3Confident3 Ų353.1 Ų53.12%0.01629%0.286CS..Hα-helixtrans-60.8-31.8166.4-73.9172.7000112.2I219 R223 L242 E243 V248 V271 L272 I302I219-L275 HydrophobicContact CD1-CD2 3.65Å; I219-L275 HydrophobicContact CD1-CG 3.81Å; I219-L275 HydrophobicContact CG1-CD2 4.14Å; R223-L275 PolarHBondContact NH2-O 3.17Å; L242-L275 HydrophobicContact CB-CD2 4.49Å; E243-L275 HydrophobicContact CG-CD2 4.13Å; V248-L275 HydrophobicContact CG2-CD1 3.87Å; V271-L275 HydrophobicContact CG1-CD1 4.37Å; V271-L275 WeakPolarHBondContact O-CG 3.49Å; V271-L275 PolarHBondContact O-N 3.39Å; L272-L275 PolarHBondContact O-N 2.98Å; L275-I302 HydrophobicContact CB-CD1 4.35Å; L275-I302 HydrophobicContact CB-CG2 4.29Å
276L89.4Confident72.5Confident5 Ų558.7 Ų58.73%0.02632%0.32CS..THydrogen-bonded Turntrans-95.49.5177.1-60.1171.5000114.4L272 L273 T274 I278 I298 I302 L303 I306 L347 S350 L351L272-L276 VanDerWaalsContact O-CG 3.27Å; L272-L276 WeakPolarHBondContact O-CG 3.39Å; L272-L276 PolarHBondContact O-N 3.18Å; L273-L276 CarbonylContact O-C 3.33Å; L273-L276 VanDerWaalsContact O-C 3.23Å; L273-L276 WeakPolarHBondContact O-CA 3.45Å; L273-L276 PolarHBondContact O-N 3.25Å; T274-L276 PolarHBondContact O-N 2.67Å; L276-I278 PolarHBondContact O-N 2.87Å; L276-I298 HydrophobicContact CB-CD1 4.27Å; L276-I298 HydrophobicContact CD2-CD1 4.11Å; L276-I298 HydrophobicContact CD2-CG2 3.83Å; L276-I298 WeakPolarHBondContact O-CD1 3.47Å; L276-I302 HydrophobicContact CD2-CG2 4.09Å; L276-L303 HydrophobicContact CD2-CD2 3.97Å; L276-I306 HydrophobicContact CD1-CD1 4.13Å; L276-L347 HydrophobicContact CD1-CD1 3.85Å; L276-S350 WeakPolarHBondContact CB-OG 3.41Å; L276-L351 HydrophobicContact CD1-CD2 3.65Å; L276-L351 HydrophobicContact CD1-CG 3.98Å
277E86.5Confident69.8Low68 Ų6866 Ų6632%0.31835%0.354SS..  trans-72.595176.1-87.8166.9-140.900111.2R220 L273 T274 R279R220-E277 IonicContact CZ-OE1 2.9Å; R220-E277 IonicContact CZ-OE2 3.32Å; R220-E277 IonicContact NE-OE1 3.12Å; R220-E277 IonicContact NE-OE2 3.91Å; R220-E277 PolarHBondContact NE-OE2 3.44Å; R220-E277 IonicContact NH2-OE1 3.64Å; R220-E277 PolarHBondContact NH2-OE1 2.97Å; R220-E277 IonicContact NH2-OE2 2.79Å; R220-E277 PolarHBondContact NH2-OE2 3.24Å; L273-E277 PolarHBondContact O-N 2.92Å; T274-E277 VanDerWaalsContact CA-OE1 3.29Å; T274-E277 WeakPolarHBondContact CA-OE1 3.34Å; T274-E277 WeakPolarHBondContact CB-OE1 3.48Å; T274-E277 WeakPolarHBondContact O-CB 3.38Å; T274-E277 PolarHBondContact O-N 3.16Å; T274-E277 PolarHBondContact OG1-OE1 3.24Å; E277-R279 PolarHBondContact O-N 3.1Å; E277-R279 VanDerWaalsContact O-N 3.12Å
278I68.3Low66.5Low59 Ų5972.3 Ų72.330%0.30339%0.387SS..  trans-73.199.7166.6-52.9-178.3000108.8L276 R280 I298L276-I278 PolarHBondContact O-N 2.87Å; I278-R280 PolarHBondContact O-N 3.09Å; I278-R280 VanDerWaalsContact O-N 3.12Å; I278-I298 HydrophobicContact CD1-CD1 3.94Å; I278-I298 HydrophobicContact CG1-CD1 3.42Å; I278-I298 VanDerWaalsContact CG1-CD1 3.42Å; I278-I298 HydrophobicContact CG1-CG1 4.12Å
279R57.3Low63.8Low158 Ų15877.3 Ų77.360%0.59643%0.428SS*.PPolyproline II helixtrans-59.6118165.6-117.4-168.7-166.6172.915.9109D224 E277 S295D224-R279 IonicContact OD1-CZ 2.96Å; D224-R279 IonicContact OD1-NE 3.37Å; D224-R279 IonicContact OD1-NH1 3.53Å; D224-R279 PolarHBondContact OD1-NH1 2.95Å; D224-R279 IonicContact OD1-NH2 2.78Å; D224-R279 PolarHBondContact OD1-NH2 3.26Å; D224-R279 IonicContact OD2-CZ 2.68Å; D224-R279 IonicContact OD2-NH1 2.72Å; D224-R279 PolarHBondContact OD2-NH1 3.03Å; D224-R279 IonicContact OD2-NH2 3.21Å; D224-R279 PolarHBondContact OD2-NH2 3.13Å; E277-R279 PolarHBondContact O-N 3.1Å; E277-R279 VanDerWaalsContact O-N 3.12Å; R279-S295 WeakPolarHBondContact O-CA 3.43Å; R279-S295 WeakPolarHBondContact O-CB 3.22Å; R279-S295 PolarHBondContact O-OG 3.06Å
280R45.6Very low60.8Low194 Ų19486.5 Ų86.573%0.73247%0.471SS*.PPolyproline II helixtrans-80.3132.8159.4-62.6-176.5-177.2179.33106.8I278 V282I278-R280 PolarHBondContact O-N 3.09Å; I278-R280 VanDerWaalsContact O-N 3.12Å; R280-V282 PolarHBondContact O-N 2.94Å
281P38.7Very low57.9Low54 Ų5487.1 Ų87.135%0.35149%0.491SS..PPolyproline II helixtrans-59.9133.3170.125.9-33000108.7V283 E293P281-V283 PolarHBondContact O-N 3.19Å; P281-E293 HydrophobicContact CB-CB 4.18Å
282V36.6Very low54.9Low116 Ų11695.5 Ų95.570%0.70353%0.528SS*.  trans-73.2108.6168.8177.10000105.9R280 D284R280-V282 PolarHBondContact O-N 2.94Å; V282-D284 PolarHBondContact O-N 3.41Å
283V36.2Very low52Low130 Ų130101.1 Ų101.179%0.78855%0.554SS**  trans-79.973.9174.6-175.30000107.9P281P281-V283 PolarHBondContact O-N 3.19Å
284D33.1Very low49.6Very low135 Ų135111.1 Ų111.172%0.72259%0.591SS**  trans-63.7142160.3-85.5-42.1000109.1V282 V286V282-D284 PolarHBondContact O-N 3.41Å; D284-V286 VanDerWaalsContact C-N 3.35Å; D284-V286 PolarHBondContact O-N 3.31Å
285G39.2Very low47.5Very low84 Ų84113.3 Ų113.387%0.86661%0.605SS**SBendtrans-75.964.2-154.700000117.2
286V35.1Very low45.8Very low119 Ų119117 Ų11772%0.72162%0.62SS**  trans-128114.1163.9-172.80000110.2D284 D288D284-V286 VanDerWaalsContact C-N 3.35Å; D284-V286 PolarHBondContact O-N 3.31Å; V286-D288 VanDerWaalsContact C-N 3.33Å; V286-D288 PolarHBondContact O-N 3.31Å
287M37.9Very low44.5Very low184 Ų184122.5 Ų122.591%0.90665%0.654SS**  trans-87.658.9-167.8-163.7178.264.800113.6A289M287-A289 PolarHBondContact O-N 2.7Å; M287-A289 VanDerWaalsContact O-N 3.16Å
288D28.2Very low43.9Very low138 Ų138119.8 Ų119.874%0.73864%0.641SS**  trans-78.398.1173.4-955.9000111V286 Q290 G291V286-D288 VanDerWaalsContact C-N 3.33Å; V286-D288 PolarHBondContact O-N 3.31Å; D288-Q290 PolarHBondContact O-N 3.07Å; D288-G291 PolarHBondContact O-N 3.45Å; D288-G291 VanDerWaalsContact O-N 3.16Å
289A38.8Very low44.4Very low104 Ų104120.2 Ų120.286%0.8664%0.644SS**THydrogen-bonded Turntrans-69.125.8-169.600000116.2M287M287-A289 PolarHBondContact O-N 2.7Å; M287-A289 VanDerWaalsContact O-N 3.16Å
290Q35.6Very low45.6Very low193 Ų193115.3 Ų115.390%0.90263%0.634SS**THydrogen-bonded Turntrans-127.1-9.1173.9-61.6-171.80.700113.2D288 F292D288-Q290 PolarHBondContact O-N 3.07Å; Q290-F292 VanDerWaalsContact C-N 3.32Å; Q290-F292 PolarHBondContact O-N 3.04Å
291G34.5Very low47.5Very low63 Ų63106.9 Ų106.965%0.64961%0.605SS**  trans-76.470.6174.800000113.5D288 E293D288-G291 PolarHBondContact O-N 3.45Å; D288-G291 VanDerWaalsContact O-N 3.16Å; G291-E293 PolarHBondContact O-N 3.35Å
292F34.7Very low50Low177 Ų177104.3 Ų104.378%0.77659%0.588SS**  trans-79.465.2172.5-125.1-74.8000110.7Q290 R294Q290-F292 VanDerWaalsContact C-N 3.32Å; Q290-F292 PolarHBondContact O-N 3.04Å; F292-R294 PolarHBondContact O-N 3Å; F292-R294 VanDerWaalsContact O-N 3.12Å
293E36.5Very low52.5Low119 Ų11999 Ų9956%0.55656%0.556SS**  trans-57.1117.5174.4-71.3-154.6141.200110P281 G291 S295P281-E293 HydrophobicContact CB-CB 4.18Å; G291-E293 PolarHBondContact O-N 3.35Å; E293-S295 PolarHBondContact O-N 3.36Å
294R43Very low55Low231 Ų23196.6 Ų96.687%0.87254%0.538SS*.  trans-80.2109.9-176.3-65.1177.6-178.1153.72.1108.9F292 Y296F292-R294 PolarHBondContact O-N 3Å; F292-R294 VanDerWaalsContact O-N 3.12Å; R294-Y296 PolarHBondContact O-N 3.4Å; R294-Y296 VanDerWaalsContact O-N 3.14Å
295S49.8Very low57.8Low45 Ų4590.1 Ų90.132%0.31550%0.504SS..  trans-48.4123.2156.3-77.10000108.7R279 E293 T297R279-S295 WeakPolarHBondContact O-CA 3.43Å; R279-S295 WeakPolarHBondContact O-CB 3.22Å; R279-S295 PolarHBondContact O-OG 3.06Å; E293-S295 PolarHBondContact O-N 3.36Å; S295-T297 PolarHBondContact O-N 3.22Å; S295-T297 VanDerWaalsContact O-N 3.12Å
296Y56.1Low60.3Low82 Ų8286.1 Ų86.132%0.32246%0.462SS..  trans-59.1117.7-170.6-143.2-93.2000109.9R223 L239 R294 I298R223-Y296 HydrophobicContact CB-CE2 4.44Å; R223-Y296 HydrophobicContact CG-CD1 4.4Å; R223-Y296 HydrophobicContact CG-CD2 4.26Å; R223-Y296 HydrophobicContact CG-CE1 4.25Å; R223-Y296 HydrophobicContact CG-CE2 4.1Å; R223-Y296 HydrophobicContact CG-CG 4.41Å; L239-Y296 HydrophobicContact CD2-CE1 4.4Å; L239-Y296 WeakPolarHBondContact CD2-OH 3.35Å; R294-Y296 PolarHBondContact O-N 3.4Å; R294-Y296 VanDerWaalsContact O-N 3.14Å; Y296-I298 PolarHBondContact O-N 2.9Å; Y296-I298 VanDerWaalsContact O-N 3.11Å
297T63.2Low63Low119 Ų11982.6 Ų82.673%0.7344%0.438SS*.  trans-73.2105.9-178.949.50000108.9S295 N299S295-T297 PolarHBondContact O-N 3.22Å; S295-T297 VanDerWaalsContact O-N 3.12Å; T297-N299 PolarHBondContact O-N 3.42Å
298I74Confident65.6Low12 Ų1277.1 Ų77.16%0.06242%0.416CS..  trans-50.8127.3-179-71.8167.3000110.2L276 I278 Y296 S300 I302 T354L276-I298 HydrophobicContact CB-CD1 4.27Å; L276-I298 HydrophobicContact CD2-CD1 4.11Å; L276-I298 HydrophobicContact CD2-CG2 3.83Å; L276-I298 WeakPolarHBondContact O-CD1 3.47Å; I278-I298 HydrophobicContact CD1-CD1 3.94Å; I278-I298 HydrophobicContact CG1-CD1 3.42Å; I278-I298 VanDerWaalsContact CG1-CD1 3.42Å; I278-I298 HydrophobicContact CG1-CG1 4.12Å; Y296-I298 PolarHBondContact O-N 2.9Å; Y296-I298 VanDerWaalsContact O-N 3.11Å; I298-S300 PolarHBondContact O-N 2.84Å; I298-I302 HydrophobicContact CG2-CD1 4.2Å; I298-T354 HydrophobicContact CB-CG2 4.08Å; I298-T354 HydrophobicContact CD1-CG2 3.65Å; I298-T354 HydrophobicContact CG1-CG2 4.46Å; I298-T354 HydrophobicContact CG2-CG2 4.02Å
299N77.8Confident68.8Low67 Ų6772.5 Ų72.536%0.35839%0.39SS..  trans-66.1130.7-177.4-161.7-15.1000110.8E243 T297 S301 I302E243-N299 HydrophobicContact CB-CB 4.21Å; T297-N299 PolarHBondContact O-N 3.42Å; N299-S301 PolarHBondContact ND2-OG 3.45Å; N299-S301 PolarHBondContact O-N 2.71Å; N299-S301 PolarHBondContact OD1-OG 3.01Å; N299-I302 HydrophobicContact CB-CD1 3.96Å; N299-I302 HydrophobicContact CB-CG1 4.35Å; N299-I302 WeakPolarHBondContact O-CB 3.4Å; N299-I302 PolarHBondContact O-N 2.91Å; N299-I302 VanDerWaalsContact O-N 3.09Å
300S82.8Confident71.5Confident56 Ų5667.8 Ų67.839%0.39235%0.35SS..Hα-helixtrans-66.3-22.3-173.4550000113.2I298 I302 L303 L304 S358I298-S300 PolarHBondContact O-N 2.84Å; S300-I302 VanDerWaalsContact C-N 3.28Å; S300-I302 PolarHBondContact O-N 3.46Å; S300-L303 PolarHBondContact O-N 2.74Å; S300-L304 VanDerWaalsContact O-CG 3.31Å; S300-L304 WeakPolarHBondContact O-CG 3.24Å; S300-L304 PolarHBondContact O-N 3.44Å; S300-L304 VanDerWaalsContact O-N 3.07Å; S300-S358 WeakPolarHBondContact CB-OG 3.4Å
301S86.8Confident74.3Confident17 Ų1762.4 Ų62.412%0.11933%0.327CS..Hα-helixtrans-51.7-42.3168.546.40000113.3E243 N299 L304 A305E243-S301 WeakPolarHBondContact O-CB 3.48Å; E243-S301 PolarHBondContact O-OG 3.3Å; N299-S301 PolarHBondContact ND2-OG 3.45Å; N299-S301 PolarHBondContact O-N 2.71Å; N299-S301 PolarHBondContact OD1-OG 3.01Å; S301-L304 PolarHBondContact O-N 3.35Å; S301-A305 PolarHBondContact O-N 3.04Å
302I90.5Very high77.2Confident0 Ų063.5 Ų63.50%032%0.315CS..Hα-helixtrans-64.6-45.7-176.8-57.9161.7000109.6E243 V248 L275 L276 I298 N299 S300 A305 I306E243-I302 HydrophobicContact CB-CD1 4.06Å; E243-I302 HydrophobicContact CB-CG1 4.37Å; E243-I302 HydrophobicContact CG-CD1 4.04Å; V248-I302 HydrophobicContact CG2-CG1 4.41Å; L275-I302 HydrophobicContact CB-CD1 4.35Å; L275-I302 HydrophobicContact CB-CG2 4.29Å; L276-I302 HydrophobicContact CD2-CG2 4.09Å; I298-I302 HydrophobicContact CG2-CD1 4.2Å; N299-I302 HydrophobicContact CB-CD1 3.96Å; N299-I302 HydrophobicContact CB-CG1 4.35Å; N299-I302 WeakPolarHBondContact O-CB 3.4Å; N299-I302 PolarHBondContact O-N 2.91Å; N299-I302 VanDerWaalsContact O-N 3.09Å; S300-I302 VanDerWaalsContact C-N 3.28Å; S300-I302 PolarHBondContact O-N 3.46Å; I302-A305 PolarHBondContact O-N 3.37Å; I302-I306 HydrophobicContact CG2-CD1 3.86Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.29Å; I302-I306 PolarHBondContact O-N 3.25Å; I302-I306 VanDerWaalsContact O-N 3.09Å
303L88.6Confident80.2Confident3 Ų355.2 Ų55.22%0.01628%0.279CS..Hα-helixtrans-67.4-36.8178.6-62.8171.9000112L276 S300 I306 Q307 L351 T354 V362L276-L303 HydrophobicContact CD2-CD2 3.97Å; S300-L303 PolarHBondContact O-N 2.74Å; L303-I306 PolarHBondContact O-N 2.95Å; L303-Q307 VanDerWaalsContact O-CB 3.27Å; L303-Q307 WeakPolarHBondContact O-CB 3.34Å; L303-Q307 PolarHBondContact O-N 3.4Å; L303-L351 HydrophobicContact CD2-CD2 3.72Å; L303-T354 HydrophobicContact CD1-CG2 3.8Å; L303-T354 HydrophobicContact CD2-CG2 4.04Å; L303-T354 HydrophobicContact CG-CG2 4.38Å; L303-V362 HydrophobicContact CB-CG2 4.47Å; L303-V362 HydrophobicContact CD2-CG2 4.47Å
304L88.4Confident83Confident80 Ų8050.8 Ų50.842%0.41926%0.258SS..Hα-helixtrans-67.3-36.8176.1-70.1169.8000112.4S300 S301 P308S300-L304 VanDerWaalsContact O-CG 3.31Å; S300-L304 WeakPolarHBondContact O-CG 3.24Å; S300-L304 PolarHBondContact O-N 3.44Å; S300-L304 VanDerWaalsContact O-N 3.07Å; S301-L304 PolarHBondContact O-N 3.35Å; L304-P308 WeakPolarHBondContact O-CD 3.3Å
305A91.5Very high85.5Confident0 Ų042.8 Ų42.80%023%0.23CC..Hα-helixtrans-67.1-42.617300000112.6Q245 V248 E249 L252 S301 I302 H309Q245-A305 HydrophobicContact CG-CB 4.01Å; V248-A305 HydrophobicContact CB-CB 3.7Å; V248-A305 HydrophobicContact CG1-CB 3.52Å; E249-A305 HydrophobicContact CG-CB 3.81Å; L252-A305 HydrophobicContact CD1-CB 4.31Å; L252-A305 VanDerWaalsContact CD1-O 3.31Å; L252-A305 WeakPolarHBondContact CD1-O 3.3Å; S301-A305 PolarHBondContact O-N 3.04Å; I302-A305 PolarHBondContact O-N 3.37Å; A305-H309 PolarHBondContact O-ND1 2.91Å
306I93.4Very high87.6Confident0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-70.9-37.1-178.3-66166.8000111.8V248 L252 L272 L276 I302 L303 H309 L310 F313 L351V248-I306 HydrophobicContact CG1-CG1 4.27Å; L252-I306 HydrophobicContact CD1-CG1 4.19Å; L272-I306 HydrophobicContact CD2-CD1 4.06Å; L272-I306 HydrophobicContact CD2-CG1 4.11Å; L276-I306 HydrophobicContact CD1-CD1 4.13Å; I302-I306 HydrophobicContact CG2-CD1 3.86Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.29Å; I302-I306 PolarHBondContact O-N 3.25Å; I302-I306 VanDerWaalsContact O-N 3.09Å; L303-I306 PolarHBondContact O-N 2.95Å; I306-H309 WeakPolarHBondContact O-CA 3.44Å; I306-H309 WeakPolarHBondContact O-CB 3.5Å; I306-H309 PolarHBondContact O-N 3.5Å; I306-L310 HydrophobicContact CG2-CD2 3.95Å; I306-L310 HydrophobicContact CG2-CG 4.46Å; I306-L310 PolarHBondContact O-N 3.39Å; I306-F313 HydrophobicContact CG2-CE2 4.46Å; I306-L351 HydrophobicContact CD1-CD2 4.24Å; I306-L351 HydrophobicContact CG2-CD1 4.13Å; I306-L351 HydrophobicContact CG2-CD2 4.21Å
307Q91.3Very high89.5Confident45 Ų4536.9 Ų36.921%0.2120%0.201CC..G310 helixtrans-55.8-45.2-169.2178.3-86.4-63.600115L303 H309 L310 V361 V362L303-Q307 VanDerWaalsContact O-CB 3.27Å; L303-Q307 WeakPolarHBondContact O-CB 3.34Å; L303-Q307 PolarHBondContact O-N 3.4Å; Q307-H309 PolarHBondContact O-N 3.06Å; Q307-L310 HydrophobicContact CG-CD1 4.49Å; Q307-L310 WeakPolarHBondContact O-CG 3.17Å; Q307-L310 PolarHBondContact O-N 3.43Å; Q307-V361 HydrophobicContact CG-CB 4.22Å; Q307-V361 HydrophobicContact CG-CG1 3.72Å; Q307-V362 HydrophobicContact CB-CG2 4.25Å
308P92.9Very high91Very high68 Ų6834.9 Ų34.944%0.44219%0.185SC..G310 helixtrans-62.5-27.7173.8-25.135000114.1L304L304-P308 WeakPolarHBondContact O-CD 3.3Å
309H94.8Very high91.7Very high41 Ų4139.4 Ų39.419%0.1921%0.206CC..G310 helixtrans-89.4-5-173.9-62.696000113.5L252 F256 A305 I306 Q307 I311 H312 F313L252-H309 HydrophobicContact CD1-CB 4.34Å; L252-H309 HydrophobicContact CD2-CB 4.14Å; F256-H309 HydrophobicContact CE2-CB 4.13Å; A305-H309 PolarHBondContact O-ND1 2.91Å; I306-H309 WeakPolarHBondContact O-CA 3.44Å; I306-H309 WeakPolarHBondContact O-CB 3.5Å; I306-H309 PolarHBondContact O-N 3.5Å; Q307-H309 PolarHBondContact O-N 3.06Å; H309-I311 PolarHBondContact O-N 2.98Å; H309-I311 VanDerWaalsContact O-N 3.15Å; H309-H312 WeakPolarHBondContact O-CB 3.36Å; H309-H312 PolarHBondContact O-N 3.31Å; H309-F313 HydrophobicContact CB-CE2 4.38Å; H309-F313 WeakPolarHBondContact O-CD2 3.45Å; H309-F313 PolarHBondContact O-N 2.99Å
310L94.9Very high92.2Very high5 Ų537.7 Ų37.73%0.02620%0.199CC..Hα-helixtrans-56.5-30.2177.2-67.7172.7000113.4I306 Q307 H312 F313 H314 L351 V362 E365 L366 L369I306-L310 HydrophobicContact CG2-CD2 3.95Å; I306-L310 HydrophobicContact CG2-CG 4.46Å; I306-L310 PolarHBondContact O-N 3.39Å; Q307-L310 HydrophobicContact CG-CD1 4.49Å; Q307-L310 WeakPolarHBondContact O-CG 3.17Å; Q307-L310 PolarHBondContact O-N 3.43Å; L310-H312 VanDerWaalsContact C-N 3.33Å; L310-H312 PolarHBondContact O-N 3.39Å; L310-F313 PolarHBondContact O-N 2.9Å; L310-H314 WeakPolarHBondContact O-CB 3.11Å; L310-H314 PolarHBondContact O-N 3.19Å; L310-L351 HydrophobicContact CD2-CD1 3.8Å; L310-V362 HydrophobicContact CD1-CB 4.48Å; L310-V362 HydrophobicContact CD1-CG1 4.1Å; L310-E365 HydrophobicContact CB-CG 3.97Å; L310-E365 HydrophobicContact CD1-CB 3.88Å; L310-E365 HydrophobicContact CD1-CG 3.8Å; L310-E365 HydrophobicContact CG-CG 4.5Å; L310-L366 HydrophobicContact CD1-CG 4.48Å; L310-L366 HydrophobicContact CD2-CD2 4.37Å; L310-L369 HydrophobicContact CB-CD1 3.94Å
311I95.4Very high92.4Very high80 Ų8036.2 Ų36.241%0.4119%0.188SC..Hα-helixtrans-66.1-32.3173.8-169.9168.6000112.9H309 Q315 L369H309-I311 PolarHBondContact O-N 2.98Å; H309-I311 VanDerWaalsContact O-N 3.15Å; I311-Q315 PolarHBondContact O-N 2.89Å; I311-L369 HydrophobicContact CB-CD1 4.38Å; I311-L369 HydrophobicContact CB-CD2 4.05Å; I311-L369 HydrophobicContact CD1-CD2 4.35Å; I311-L369 HydrophobicContact CG1-CD2 3.87Å
312H95.2Very high92.2Very high86 Ų8645.5 Ų45.540%0.39823%0.226SC..Hα-helixtrans-71.5-43.7175-66.8-120.1000110.6F256 H309 L310 H314 Q315 L316F256-H312 HydrophobicContact CD1-CB 3.83Å; F256-H312 AromaticContact CD1-ND1 3.96Å; F256-H312 HydrophobicContact CD2-CB 3.93Å; F256-H312 AromaticContact CD2-ND1 3.89Å; F256-H312 HydrophobicContact CE1-CB 3.57Å; F256-H312 HydrophobicContact CE2-CB 3.69Å; F256-H312 HydrophobicContact CG-CB 4Å; F256-H312 AromaticContact CG-ND1 3.57Å; F256-H312 HydrophobicContact CZ-CB 3.5Å; F256-H312 VanDerWaalsContact CZ-CB 3.5Å; H309-H312 WeakPolarHBondContact O-CB 3.36Å; H309-H312 PolarHBondContact O-N 3.31Å; L310-H312 VanDerWaalsContact C-N 3.33Å; L310-H312 PolarHBondContact O-N 3.39Å; H312-H314 PolarHBondContact O-N 2.9Å; H312-Q315 PolarHBondContact O-N 3.4Å; H312-Q315 VanDerWaalsContact O-N 3.17Å; H312-L316 WeakPolarHBondContact O-CG 3.41Å; H312-L316 PolarHBondContact O-N 3.15Å
313F96.4Very high91.8Very high4 Ų451.3 Ų51.32%0.01825%0.248CC..Hα-helixtrans-61.2-41.7173.8-69-61.8000112.4L252 M255 F256 I269 L272 I306 H309 L310 Q315 L316 L317 V344 L347L252-F313 HydrophobicContact CD2-CE2 3.7Å; L252-F313 HydrophobicContact CD2-CZ 3.63Å; M255-F313 HydrophobicContact CE-CE1 3.66Å; M255-F313 HydrophobicContact CE-CZ 3.76Å; F256-F313 HydrophobicContact CE1-CE1 4.49Å; F256-F313 HydrophobicContact CE2-CE1 4.43Å; F256-F313 HydrophobicContact CE2-CE2 4.21Å; F256-F313 HydrophobicContact CE2-CZ 4.09Å; F256-F313 AromaticContact CZ-CD1 3.86Å; F256-F313 HydrophobicContact CZ-CD1 3.86Å; F256-F313 HydrophobicContact CZ-CD2 4.26Å; F256-F313 AromaticContact CZ-CE1 3.63Å; F256-F313 HydrophobicContact CZ-CE1 3.63Å; F256-F313 HydrophobicContact CZ-CE2 4.05Å; F256-F313 HydrophobicContact CZ-CG 4.18Å; F256-F313 AromaticContact CZ-CZ 3.74Å; F256-F313 HydrophobicContact CZ-CZ 3.74Å; I269-F313 HydrophobicContact CD1-CD1 4.37Å; I269-F313 HydrophobicContact CD1-CE1 4.03Å; I269-F313 HydrophobicContact CG1-CE1 3.75Å; L272-F313 HydrophobicContact CD1-CZ 3.81Å; I306-F313 HydrophobicContact CG2-CE2 4.46Å; H309-F313 HydrophobicContact CB-CE2 4.38Å; H309-F313 WeakPolarHBondContact O-CD2 3.45Å; H309-F313 PolarHBondContact O-N 2.99Å; L310-F313 PolarHBondContact O-N 2.9Å; F313-Q315 PolarHBondContact O-N 2.99Å; F313-L316 HydrophobicContact CD1-CD1 4.4Å; F313-L316 WeakPolarHBondContact O-CB 3.26Å; F313-L316 PolarHBondContact O-N 3.02Å; F313-L316 VanDerWaalsContact O-N 3.16Å; F313-L317 PolarHBondContact O-N 2.79Å; F313-V344 HydrophobicContact CB-CG1 3.97Å; F313-V344 HydrophobicContact CD1-CG2 3.98Å; F313-L347 HydrophobicContact CD1-CD2 4Å; F313-L347 HydrophobicContact CD2-CD2 4.15Å; F313-L347 HydrophobicContact CE1-CD2 3.68Å; F313-L347 HydrophobicContact CE2-CD2 3.85Å; F313-L347 HydrophobicContact CG-CD2 4.23Å; F313-L347 HydrophobicContact CZ-CD2 3.59Å
314H96.3Very high91.7Very high26 Ų2658 Ų5812%0.1228%0.284CS..Hα-helixtrans-60.1-43.5172.1-175.9100.5000111.8L310 H312 L316 L317 L318 L369 T371L310-H314 WeakPolarHBondContact O-CB 3.11Å; L310-H314 PolarHBondContact O-N 3.19Å; H312-H314 PolarHBondContact O-N 2.9Å; H314-L316 PolarHBondContact O-N 2.76Å; H314-L317 WeakPolarHBondContact O-CB 3.47Å; H314-L317 PolarHBondContact O-N 2.9Å; H314-L318 PolarHBondContact O-N 2.96Å; H314-L369 HydrophobicContact CB-CD1 4.21Å; H314-L369 HydrophobicContact CB-CD2 4.48Å; H314-L369 PolarHBondContact CE1-O 3.01Å; H314-L369 PolarHBondContact ND1-O 2.85Å; H314-T371 PolarHBondContact ND1-OG1 3.39Å
315Q95.3Very high91.7Very high63 Ų6357.3 Ų57.329%0.29428%0.284SS..Hα-helixtrans-63.9-25176.9-164.364.622.400113I311 H312 F313 E319I311-Q315 PolarHBondContact O-N 2.89Å; H312-Q315 PolarHBondContact O-N 3.4Å; H312-Q315 VanDerWaalsContact O-N 3.17Å; F313-Q315 PolarHBondContact O-N 2.99Å; Q315-E319 PolarHBondContact NE2-OE2 3.35Å; Q315-E319 WeakPolarHBondContact O-CA 3.28Å; Q315-E319 PolarHBondContact O-N 2.86Å
316L94.8Very high91.5Very high1 Ų162 Ų621%0.00531%0.308CS..Hα-helixtrans-76.2-26.5172.1-68.2176.1000113.6F256 I265 H312 F313 H314 T340 V344F256-L316 HydrophobicContact CE1-CD1 3.89Å; I265-L316 HydrophobicContact CD1-CD1 4.24Å; I265-L316 HydrophobicContact CD1-CD2 4Å; I265-L316 HydrophobicContact CG2-CD1 3.64Å; H312-L316 WeakPolarHBondContact O-CG 3.41Å; H312-L316 PolarHBondContact O-N 3.15Å; F313-L316 HydrophobicContact CD1-CD1 4.4Å; F313-L316 WeakPolarHBondContact O-CB 3.26Å; F313-L316 PolarHBondContact O-N 3.02Å; F313-L316 VanDerWaalsContact O-N 3.16Å; H314-L316 PolarHBondContact O-N 2.76Å; L316-T340 HydrophobicContact CB-CG2 4Å; L316-T340 HydrophobicContact CD1-CG2 4.04Å; L316-T340 HydrophobicContact CD2-CG2 4.13Å; L316-T340 HydrophobicContact CG-CG2 4.29Å; L316-V344 HydrophobicContact CB-CG2 4.19Å; L316-V344 HydrophobicContact CD1-CG2 4.21Å
317L95.1Very high91.2Very high1 Ų168.7 Ų68.71%0.00534%0.342CS..Hα-helixtrans-70.3-38.5170.1-68.6173.5000111.1F313 H314 R341 V344 T371 L374 L375 L378F313-L317 PolarHBondContact O-N 2.79Å; H314-L317 WeakPolarHBondContact O-CB 3.47Å; H314-L317 PolarHBondContact O-N 2.9Å; L317-R341 HydrophobicContact CD2-CB 4.22Å; L317-R341 PolarHBondContact O-NE 3.38Å; L317-R341 PolarHBondContact O-NH2 3.38Å; L317-V344 HydrophobicContact CD1-CG1 3.94Å; L317-V344 HydrophobicContact CD2-CB 3.96Å; L317-V344 HydrophobicContact CD2-CG1 3.9Å; L317-V344 HydrophobicContact CG-CB 4.23Å; L317-V344 HydrophobicContact CG-CG1 3.68Å; L317-T371 HydrophobicContact CD1-CG2 3.85Å; L317-L374 HydrophobicContact CB-CD2 3.53Å; L317-L374 HydrophobicContact CB-CG 4.2Å; L317-L374 HydrophobicContact CD1-CD2 4.33Å; L317-L375 HydrophobicContact CD1-CD2 3.88Å; L317-L375 HydrophobicContact CD1-CG 4.17Å; L317-L375 HydrophobicContact CD2-CD2 3.98Å; L317-L378 HydrophobicContact CB-CD1 4.26Å; L317-L378 HydrophobicContact CD2-CD1 4.05Å
318L93.9Very high90.9Very high77 Ų7769 Ų6940%0.40335%0.347SS..Hα-helixtrans-69-58.6172.2-64.7174.9000111.3H314 P320 R341 L374H314-L318 PolarHBondContact O-N 2.96Å; L318-P320 WeakPolarHBondContact O-CD 3.25Å; L318-R341 PolarHBondContact O-NH2 2.93Å; L318-L374 HydrophobicContact CD2-CD1 3.83Å; L318-L374 HydrophobicContact CD2-CD2 3.63Å; L318-L374 HydrophobicContact CD2-CG 4.4Å; L318-L374 HydrophobicContact CG-CD2 3.83Å
319E90.2Very high90.5Very high107 Ų10772.8 Ų72.850%0.537%0.37SS..SBendtrans-12582.2-169.6-64178156.700111.5R260 Q315R260-E319 PolarHBondContact NH1-O 3.48Å; Q315-E319 PolarHBondContact NE2-OE2 3.35Å; Q315-E319 WeakPolarHBondContact O-CA 3.28Å; Q315-E319 PolarHBondContact O-N 2.86Å
320P88.5Confident89.7Confident32 Ų3275.5 Ų75.521%0.20839%0.385CS..PPolyproline II helixtrans-70.1168174.231.8-37.5000111.7L318 K322 R341L318-P320 WeakPolarHBondContact O-CD 3.25Å; P320-K322 PolarHBondContact O-N 2.73Å; P320-R341 HydrophobicContact CB-CG 4.07Å; P320-R341 VanDerWaalsContact CD-CZ 3.47Å; P320-R341 HydrophobicContact CG-CG 4.24Å
321P87.2Confident89.2Confident25 Ų2576.8 Ų76.816%0.16240%0.4CS..PPolyproline II helixtrans-49.2137.8161.1-24.234.7000110.7R260 E262 I265 T340R260-P321 HydrophobicContact CB-CG 4.26Å; R260-P321 WeakPolarHBondContact O-CG 3.44Å; E262-P321 HydrophobicContact CB-CB 4.38Å; E262-P321 HydrophobicContact CB-CG 4.17Å; I265-P321 HydrophobicContact CD1-CG 4.29Å; P321-T340 WeakPolarHBondContact CD-OG1 3.31Å
322K82.3Confident88.8Confident212 Ų21277 Ų7792%0.92240%0.404SS*.PPolyproline II helixtrans-66.7139.6-176.5-69.1-176.8-179.6177.20110.7P320P320-K322 PolarHBondContact O-N 2.73Å
323R82.3Confident88.3Confident121 Ų12175.7 Ų75.746%0.45740%0.4SS..  trans-128.5153.3168.3-88.8-156.1163.591.80.5110.5E262 P336E262-R323 IonicContact OE1-CZ 2.69Å; E262-R323 IonicContact OE1-NH1 2.68Å; E262-R323 PolarHBondContact OE1-NH1 3.5Å; E262-R323 IonicContact OE1-NH2 2.76Å; E262-R323 PolarHBondContact OE1-NH2 3.18Å; E262-R323 IonicContact OE2-CZ 3.89Å; E262-R323 IonicContact OE2-NH1 2.77Å; E262-R323 PolarHBondContact OE2-NH1 3Å; R323-P336 HydrophobicContact CB-CG 3.75Å
324D85Confident87.7Confident143 Ų14382.1 Ų82.177%0.76543%0.43SS*.PPolyproline II helixtrans-70.3153.5173.3-61.6-62.4000111.9M326D324-M326 PolarHBondContact O-N 2.75Å
325P88.4Confident87.2Confident67 Ų6784.8 Ų84.844%0.43544%0.443SS..PPolyproline II helixtrans-55.2130.1174.6-29.537.5000113.1V332 L333 E334P325-V332 HydrophobicContact CB-CG1 3.63Å; P325-L333 WeakPolarHBondContact CA-O 3.02Å; P325-E334 WeakPolarHBondContact CG-OE2 3.45Å
326M87.3Confident86.9Confident99 Ų9982.6 Ų82.649%0.48843%0.434SS..EExtended strand (participates in β ladder)trans-97.9124.7-176.9-169.9175.380.400111D324 T328 L333 P336D324-M326 PolarHBondContact O-N 2.75Å; M326-T328 HydrophobicContact CE-CG2 3.88Å; M326-L333 HydrophobicContact CE-CD2 4.32Å; M326-L333 PolarHBondContact N-O 3.02Å; M326-L333 PolarHBondContact O-N 3.17Å; M326-P336 HydrophobicContact CB-CB 4.45Å
327L86.9Confident86.7Confident140 Ų14082.9 Ų82.973%0.73344%0.435SS*.EExtended strand (participates in β ladder)trans-74127.6172.3-176.963.2000110.2V332L327-V332 HydrophobicContact CD1-CG2 3.93Å
328T85.6Confident86.5Confident50 Ų5083.8 Ų83.831%0.30744%0.444SS..EExtended strand (participates in β ladder)trans-122167.1177.577.50000110.9M326 L330 G331 L333M326-T328 HydrophobicContact CE-CG2 3.88Å; T328-L330 PolarHBondContact O-N 3.17Å; T328-L330 VanDerWaalsContact O-N 3.08Å; T328-L330 PolarHBondContact OG1-N 3.25Å; T328-G331 WeakPolarHBondContact CA-O 3.3Å; T328-G331 WeakPolarHBondContact CB-O 3.49Å; T328-G331 PolarHBondContact N-O 2.8Å; T328-G331 PolarHBondContact O-N 3.04Å; T328-G331 VanDerWaalsContact O-N 3.08Å; T328-G331 PolarHBondContact OG1-N 3.07Å; T328-G331 PolarHBondContact OG1-O 3.16Å; T328-L333 HydrophobicContact CG2-CB 4.1Å
329T83.9Confident86.4Confident149 Ų14983.8 Ų83.891%0.91445%0.445SS*.THydrogen-bonded Turntrans-59.2-16.717449.60000114.3
330L79.5Confident86.5Confident97 Ų9778.7 Ų78.751%0.50842%0.421SS..THydrogen-bonded Turntrans-108.82.5178.5-63.6176.1000113.7T328 W384 M481T328-L330 PolarHBondContact O-N 3.17Å; T328-L330 VanDerWaalsContact O-N 3.08Å; T328-L330 PolarHBondContact OG1-N 3.25Å; L330-W384 HydrophobicContact CD1-CD2 4.05Å; L330-W384 VanDerWaalsContact CD1-CE2 3.46Å; L330-W384 HydrophobicContact CD1-CG 4.28Å; L330-W384 HydrophobicContact CD1-CZ2 3.81Å; L330-W384 VanDerWaalsContact CD1-NE1 3.32Å; L330-M481 HydrophobicContact CD2-SD 4.32Å
331G84.3Confident86.9Confident33 Ų3377.5 Ų77.534%0.3441%0.413SS..EExtended strand (participates in β ladder)trans129.2-172.1-179.300000113.6T328T328-G331 WeakPolarHBondContact CA-O 3.3Å; T328-G331 WeakPolarHBondContact CB-O 3.49Å; T328-G331 PolarHBondContact N-O 2.8Å; T328-G331 PolarHBondContact O-N 3.04Å; T328-G331 VanDerWaalsContact O-N 3.08Å; T328-G331 PolarHBondContact OG1-N 3.07Å; T328-G331 PolarHBondContact OG1-O 3.16Å
332V85.9Confident87.3Confident84 Ų8477 Ų7751%0.50941%0.409SS..EExtended strand (participates in β ladder)trans-80.4127.4177.6179.30000110.2P325 L327P325-V332 HydrophobicContact CB-CG1 3.63Å; L327-V332 HydrophobicContact CD1-CG2 3.93Å
333L86.1Confident87.9Confident58 Ų5867.7 Ų67.730%0.30437%0.368SS..EExtended strand (participates in β ladder)trans-95.993.4171-178.661.2000108.9P325 M326 T328 E335 P336 Y382P325-L333 WeakPolarHBondContact CA-O 3.02Å; M326-L333 HydrophobicContact CE-CD2 4.32Å; M326-L333 PolarHBondContact N-O 3.02Å; M326-L333 PolarHBondContact O-N 3.17Å; T328-L333 HydrophobicContact CG2-CB 4.1Å; L333-E335 VanDerWaalsContact C-N 3.26Å; L333-E335 PolarHBondContact O-N 3.47Å; L333-P336 HydrophobicContact CD2-CB 4.25Å; L333-Y382 HydrophobicContact CD1-CE1 4.19Å; L333-Y382 HydrophobicContact CD2-CE1 4.36Å
334E82.4Confident88.6Confident140 Ų14062 Ų6265%0.65435%0.347SS*.SBendtrans-55.2-36-176.9-64.6-66.616400113.9P325P325-E334 WeakPolarHBondContact CG-OE2 3.45Å
335E86.5Confident89.2Confident82 Ų8255.2 Ų55.238%0.38331%0.311SS..SBendtrans-127.886.6-179.3-170.4-160.7148.100109L333 R341 K381 Y382L333-E335 VanDerWaalsContact C-N 3.26Å; L333-E335 PolarHBondContact O-N 3.47Å; E335-R341 IonicContact OE1-CZ 2.66Å; E335-R341 IonicContact OE1-NH1 3.48Å; E335-R341 PolarHBondContact OE1-NH1 2.9Å; E335-R341 IonicContact OE1-NH2 3.48Å; E335-R341 PolarHBondContact OE1-NH2 3.05Å; E335-K381 IonicContact OE1-NZ 2.62Å; E335-K381 PolarHBondContact OE1-NZ 3.02Å; E335-K381 IonicContact OE2-NZ 3.65Å; E335-K381 PolarHBondContact OE2-NZ 3.27Å; E335-Y382 WeakPolarHBondContact O-CE1 3.41Å; E335-Y382 PolarHBondContact O-OH 3.39Å
336P89.3Confident89.5Confident16 Ų1655.7 Ų55.710%0.10430%0.304CS..  trans-64.3155.4177.827.4-34.7000111.7R323 M326 L333 G338R323-P336 HydrophobicContact CB-CG 3.75Å; M326-P336 HydrophobicContact CB-CB 4.45Å; L333-P336 HydrophobicContact CD2-CB 4.25Å; P336-G338 VanDerWaalsContact C-N 3.32Å; P336-G338 PolarHBondContact O-N 3.49Å
337L90.4Very high89.9Confident8 Ų851.1 Ų51.14%0.04228%0.281CS..  trans-61-41.8179.2-176.869.6000111.8R341 L342 Y382 L388L337-R341 HydrophobicContact CD1-CB 3.7Å; L337-R341 HydrophobicContact CD1-CG 4.38Å; L337-R341 HydrophobicContact CG-CB 4.02Å; L337-R341 WeakPolarHBondContact O-CB 3.45Å; L337-R341 WeakPolarHBondContact O-CD 3.27Å; L337-R341 WeakPolarHBondContact O-CG 3.48Å; L337-L342 HydrophobicContact CD2-CB 4.22Å; L337-Y382 HydrophobicContact CB-CD1 4.37Å; L337-Y382 HydrophobicContact CB-CE1 4.21Å; L337-Y382 HydrophobicContact CB-CE2 4.42Å; L337-Y382 HydrophobicContact CD1-CD2 3.78Å; L337-Y382 HydrophobicContact CD1-CE2 3.71Å; L337-Y382 HydrophobicContact CD1-CG 4.45Å; L337-L388 HydrophobicContact CD1-CD2 4Å; L337-L388 HydrophobicContact CD2-CB 3.85Å; L337-L388 HydrophobicContact CD2-CD1 4.4Å; L337-L388 HydrophobicContact CD2-CD2 4.13Å; L337-L388 HydrophobicContact CD2-CG 4.36Å
338G90.3Very high90.3Very high19 Ų1944.7 Ų44.720%0.19625%0.248CC..Hα-helixtrans72.8158.4-175.700000113.7P336 T340 L342P336-G338 VanDerWaalsContact C-N 3.32Å; P336-G338 PolarHBondContact O-N 3.49Å; G338-T340 VanDerWaalsContact C-N 3.27Å; G338-T340 PolarHBondContact O-N 2.83Å; G338-L342 PolarHBondContact O-N 3.43Å
339N91.4Very high90.5Very high78 Ų7842.5 Ų42.542%0.41724%0.235SC..Hα-helixtrans-66.3-34177.8-63.2-38.8000110.9E262 V266 R341 L342 H343E262-N339 WeakPolarHBondContact OE1-CB 3.25Å; E262-N339 PolarHBondContact OE1-ND2 3.34Å; E262-N339 PolarHBondContact OE2-N 3.49Å; V266-N339 HydrophobicContact CG2-CB 3.9Å; N339-R341 PolarHBondContact O-N 3.42Å; N339-L342 PolarHBondContact O-N 3.43Å; N339-H343 WeakPolarHBondContact O-CB 3.3Å; N339-H343 PolarHBondContact O-N 2.95Å; N339-H343 PolarHBondContact O-ND1 3.44Å
340T94Very high90.9Very high0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-51.4-57.8177.2-57.20000112.5E262 I265 L316 P321 G338 L342 H343 V344E262-T340 WeakPolarHBondContact CG-OG1 3.41Å; E262-T340 PolarHBondContact OE2-N 3.38Å; E262-T340 PolarHBondContact OE2-OG1 3.11Å; I265-T340 HydrophobicContact CG2-CG2 4Å; L316-T340 HydrophobicContact CB-CG2 4Å; L316-T340 HydrophobicContact CD1-CG2 4.04Å; L316-T340 HydrophobicContact CD2-CG2 4.13Å; L316-T340 HydrophobicContact CG-CG2 4.29Å; P321-T340 WeakPolarHBondContact CD-OG1 3.31Å; G338-T340 VanDerWaalsContact C-N 3.27Å; G338-T340 PolarHBondContact O-N 2.83Å; T340-L342 VanDerWaalsContact C-N 3.31Å; T340-L342 PolarHBondContact O-N 2.99Å; T340-H343 PolarHBondContact O-N 3.4Å; T340-V344 WeakPolarHBondContact O-CG2 3.43Å; T340-V344 PolarHBondContact O-N 3.39Å
341R95.3Very high91.3Very high7 Ų731.9 Ų31.93%0.02618%0.175CC..Hα-helixtrans-63.2-38-178.4-68-173.8165.7140.5-10.6112L317 L318 P320 E335 L337 N339 V344 A345 Y382L317-R341 HydrophobicContact CD2-CB 4.22Å; L317-R341 PolarHBondContact O-NE 3.38Å; L317-R341 PolarHBondContact O-NH2 3.38Å; L318-R341 PolarHBondContact O-NH2 2.93Å; P320-R341 HydrophobicContact CB-CG 4.07Å; P320-R341 VanDerWaalsContact CD-CZ 3.47Å; P320-R341 HydrophobicContact CG-CG 4.24Å; E335-R341 IonicContact OE1-CZ 2.66Å; E335-R341 IonicContact OE1-NH1 3.48Å; E335-R341 PolarHBondContact OE1-NH1 2.9Å; E335-R341 IonicContact OE1-NH2 3.48Å; E335-R341 PolarHBondContact OE1-NH2 3.05Å; L337-R341 HydrophobicContact CD1-CB 3.7Å; L337-R341 HydrophobicContact CD1-CG 4.38Å; L337-R341 HydrophobicContact CG-CB 4.02Å; L337-R341 WeakPolarHBondContact O-CB 3.45Å; L337-R341 WeakPolarHBondContact O-CD 3.27Å; L337-R341 WeakPolarHBondContact O-CG 3.48Å; N339-R341 PolarHBondContact O-N 3.42Å; R341-V344 PolarHBondContact O-N 2.91Å; R341-A345 WeakPolarHBondContact O-CB 3.49Å; R341-A345 PolarHBondContact O-N 3.25Å; R341-Y382 PolarHBondContact NH1-OH 3.31Å
342L95.6Very high91.4Very high15 Ų1530.9 Ų30.98%0.07916%0.161CC..Hα-helixtrans-66.4-40.7178.4-179.459.4000112.2L337 G338 N339 T340 A345 R346 F387 Q391L337-L342 HydrophobicContact CD2-CB 4.22Å; G338-L342 PolarHBondContact O-N 3.43Å; N339-L342 PolarHBondContact O-N 3.43Å; T340-L342 VanDerWaalsContact C-N 3.31Å; T340-L342 PolarHBondContact O-N 2.99Å; L342-A345 PolarHBondContact O-N 3.12Å; L342-R346 WeakPolarHBondContact O-CG 3.41Å; L342-R346 PolarHBondContact O-N 3.46Å; L342-F387 HydrophobicContact CD1-CB 3.79Å; L342-F387 HydrophobicContact CD2-CB 3.84Å; L342-F387 HydrophobicContact CD2-CG 4.42Å; L342-F387 HydrophobicContact CG-CB 4.49Å; L342-Q391 HydrophobicContact CD1-CG 4.15Å
343H96.2Very high91.2Very high16 Ų1630.7 Ų30.77%0.07415%0.152CC..Hα-helixtrans-69.7-36.9176.3-74.984.6000111.8I269 N339 T340 A345 R346 L347I269-H343 HydrophobicContact CB-CB 4.22Å; I269-H343 HydrophobicContact CD1-CB 3.89Å; I269-H343 HydrophobicContact CG2-CB 3.85Å; I269-H343 WeakPolarHBondContact CG2-O 3.45Å; N339-H343 WeakPolarHBondContact O-CB 3.3Å; N339-H343 PolarHBondContact O-N 2.95Å; N339-H343 PolarHBondContact O-ND1 3.44Å; T340-H343 PolarHBondContact O-N 3.4Å; H343-A345 VanDerWaalsContact C-N 3.35Å; H343-A345 PolarHBondContact O-N 2.92Å; H343-R346 PolarHBondContact CE1-NH1 3.21Å; H343-R346 PolarHBondContact NE2-NH1 3.41Å; H343-R346 WeakPolarHBondContact O-CB 3.3Å; H343-R346 PolarHBondContact O-N 3.22Å; H343-L347 WeakPolarHBondContact O-CB 3.39Å; H343-L347 PolarHBondContact O-N 3.45Å
344V97.2Very high90.7Very high1 Ų128.1 Ų28.11%0.00614%0.139CC..Hα-helixtrans-63.7-40.3170.9178.40000111.6I269 F313 L316 L317 T340 R341 R346 L347 V348I269-V344 HydrophobicContact CD1-CG2 3.69Å; F313-V344 HydrophobicContact CB-CG1 3.97Å; F313-V344 HydrophobicContact CD1-CG2 3.98Å; L316-V344 HydrophobicContact CB-CG2 4.19Å; L316-V344 HydrophobicContact CD1-CG2 4.21Å; L317-V344 HydrophobicContact CD1-CG1 3.94Å; L317-V344 HydrophobicContact CD2-CB 3.96Å; L317-V344 HydrophobicContact CD2-CG1 3.9Å; L317-V344 HydrophobicContact CG-CB 4.23Å; L317-V344 HydrophobicContact CG-CG1 3.68Å; T340-V344 WeakPolarHBondContact O-CG2 3.43Å; T340-V344 PolarHBondContact O-N 3.39Å; R341-V344 PolarHBondContact O-N 2.91Å; V344-R346 VanDerWaalsContact C-N 3.35Å; V344-R346 PolarHBondContact O-N 2.88Å; V344-L347 PolarHBondContact O-N 3.06Å; V344-V348 HydrophobicContact CG1-CG2 4.43Å; V344-V348 WeakPolarHBondContact O-CG2 3.39Å; V344-V348 PolarHBondContact O-N 3.49Å
345A96.9Very high89.4Confident1 Ų123.6 Ų23.61%0.00812%0.123CC..Hα-helixtrans-62.3-40.1174.200000112.4R341 L342 H343 V348 A349 L375 L388 Q391R341-A345 WeakPolarHBondContact O-CB 3.49Å; R341-A345 PolarHBondContact O-N 3.25Å; L342-A345 PolarHBondContact O-N 3.12Å; H343-A345 VanDerWaalsContact C-N 3.35Å; H343-A345 PolarHBondContact O-N 2.92Å; A345-V348 PolarHBondContact O-N 3.25Å; A345-A349 PolarHBondContact O-N 3.47Å; A345-L375 HydrophobicContact CB-CD2 3.82Å; A345-L388 HydrophobicContact CB-CD1 4.07Å; A345-Q391 HydrophobicContact CB-CB 3.84Å; A345-Q391 HydrophobicContact CB-CG 4.13Å
346R95.4Very high88.2Confident77 Ų7721.7 Ų21.729%0.29112%0.119SC..Hα-helixtrans-60.2-44.8171.4-71.5169.7174.5-179.9-6.3111.8L273 L342 H343 V344 A349 S350 Q391L273-R346 HydrophobicContact CD1-CB 4Å; L273-R346 HydrophobicContact CD2-CB 4.26Å; L342-R346 WeakPolarHBondContact O-CG 3.41Å; L342-R346 PolarHBondContact O-N 3.46Å; H343-R346 PolarHBondContact CE1-NH1 3.21Å; H343-R346 PolarHBondContact NE2-NH1 3.41Å; H343-R346 WeakPolarHBondContact O-CB 3.3Å; H343-R346 PolarHBondContact O-N 3.22Å; V344-R346 VanDerWaalsContact C-N 3.35Å; V344-R346 PolarHBondContact O-N 2.88Å; R346-A349 PolarHBondContact O-N 3.27Å; R346-S350 WeakPolarHBondContact O-CB 3.43Å; R346-S350 PolarHBondContact O-N 2.8Å; R346-Q391 HydrophobicContact CG-CG 3.84Å
347L95.3Very high86.5Confident2 Ų223.5 Ų23.51%0.0114%0.135CC..Hα-helixtrans-64.2-42.9179.7-176.360.8000111.7I269 L272 L273 L276 F313 H343 V344 A349 S350 L351I269-L347 HydrophobicContact CG1-CD2 4.32Å; I269-L347 HydrophobicContact CG2-CB 4Å; I269-L347 HydrophobicContact CG2-CD2 4.39Å; L272-L347 HydrophobicContact CB-CD1 4.1Å; L272-L347 HydrophobicContact CD1-CD2 4.3Å; L273-L347 HydrophobicContact CD2-CD1 4.4Å; L276-L347 HydrophobicContact CD1-CD1 3.85Å; F313-L347 HydrophobicContact CD1-CD2 4Å; F313-L347 HydrophobicContact CD2-CD2 4.15Å; F313-L347 HydrophobicContact CE1-CD2 3.68Å; F313-L347 HydrophobicContact CE2-CD2 3.85Å; F313-L347 HydrophobicContact CG-CD2 4.23Å; F313-L347 HydrophobicContact CZ-CD2 3.59Å; H343-L347 WeakPolarHBondContact O-CB 3.39Å; H343-L347 PolarHBondContact O-N 3.45Å; V344-L347 PolarHBondContact O-N 3.06Å; L347-A349 PolarHBondContact O-N 3.39Å; L347-S350 PolarHBondContact O-N 3.27Å; L347-L351 HydrophobicContact CD1-CD1 4.38Å; L347-L351 HydrophobicContact CD1-CG 4.36Å; L347-L351 HydrophobicContact CG-CD1 4.04Å; L347-L351 HydrophobicContact CG-CG 4.49Å; L347-L351 WeakPolarHBondContact O-CB 3.28Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.29Å; L347-L351 PolarHBondContact O-N 2.89Å
348V94.1Very high85.1Confident5 Ų524.7 Ų24.73%0.0314%0.144CC..Hα-helixtrans-61.9-43.1174.6175.50000110.9V344 A345 S350 L351 L352 L366 T371 M372 L375V344-V348 HydrophobicContact CG1-CG2 4.43Å; V344-V348 WeakPolarHBondContact O-CG2 3.39Å; V344-V348 PolarHBondContact O-N 3.49Å; A345-V348 PolarHBondContact O-N 3.25Å; V348-S350 PolarHBondContact O-N 3.13Å; V348-L351 PolarHBondContact O-N 2.88Å; V348-L352 HydrophobicContact CG1-CD1 3.91Å; V348-L352 HydrophobicContact CG1-CG 4.45Å; V348-L352 VanDerWaalsContact O-CG 3.22Å; V348-L352 WeakPolarHBondContact O-CG 3.47Å; V348-L352 PolarHBondContact O-N 3.12Å; V348-L366 HydrophobicContact CG1-CD1 4.33Å; V348-L366 HydrophobicContact CG1-CD2 4.37Å; V348-L366 HydrophobicContact CG2-CD2 4.29Å; V348-T371 HydrophobicContact CG2-CG2 4.1Å; V348-M372 HydrophobicContact CG1-SD 4.43Å; V348-L375 HydrophobicContact CB-CD1 4.15Å; V348-L375 HydrophobicContact CG1-CD1 3.82Å; V348-L375 HydrophobicContact CG2-CD1 4.5Å
349A91.6Very high84Confident4 Ų425.2 Ų25.23%0.03314%0.141CC..Hα-helixtrans-61.2-44.9175.600000112.6A345 R346 L347 L352 Y353 L394 C395A345-A349 PolarHBondContact O-N 3.47Å; R346-A349 PolarHBondContact O-N 3.27Å; L347-A349 PolarHBondContact O-N 3.39Å; A349-L352 PolarHBondContact O-N 3.45Å; A349-Y353 VanDerWaalsContact O-CD2 3.29Å; A349-Y353 WeakPolarHBondContact O-CD2 3.39Å; A349-Y353 PolarHBondContact O-N 3.47Å; A349-Y353 VanDerWaalsContact O-N 3.12Å; A349-L394 HydrophobicContact CB-CB 4.19Å; A349-C395 VanDerWaalsContact CA-SG 3.55Å
350S90.5Very high83.3Confident23 Ų2322.1 Ų22.116%0.16113%0.126CC..Hα-helixtrans-63.4-43.1177.91730000112.8L276 R346 L347 V348 L352 Y353 T354L276-S350 WeakPolarHBondContact CB-OG 3.41Å; R346-S350 WeakPolarHBondContact O-CB 3.43Å; R346-S350 PolarHBondContact O-N 2.8Å; L347-S350 PolarHBondContact O-N 3.27Å; V348-S350 PolarHBondContact O-N 3.13Å; S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact O-N 2.79Å; S350-Y353 PolarHBondContact O-N 3.19Å; S350-T354 PolarHBondContact O-N 3.49Å; S350-T354 PolarHBondContact O-OG1 2.91Å
351L89.3Confident82.8Confident1 Ų125 Ų251%0.00514%0.144CC..Hα-helixtrans-60.8-40.4174.7-75.2167.8000112.2L276 L303 I306 L310 L347 V348 T354 H359 V362L276-L351 HydrophobicContact CD1-CD2 3.65Å; L276-L351 HydrophobicContact CD1-CG 3.98Å; L303-L351 HydrophobicContact CD2-CD2 3.72Å; I306-L351 HydrophobicContact CD1-CD2 4.24Å; I306-L351 HydrophobicContact CG2-CD1 4.13Å; I306-L351 HydrophobicContact CG2-CD2 4.21Å; L310-L351 HydrophobicContact CD2-CD1 3.8Å; L347-L351 HydrophobicContact CD1-CD1 4.38Å; L347-L351 HydrophobicContact CD1-CG 4.36Å; L347-L351 HydrophobicContact CG-CD1 4.04Å; L347-L351 HydrophobicContact CG-CG 4.49Å; L347-L351 WeakPolarHBondContact O-CB 3.28Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.29Å; L347-L351 PolarHBondContact O-N 2.89Å; V348-L351 PolarHBondContact O-N 2.88Å; L351-T354 WeakPolarHBondContact O-CB 3.45Å; L351-T354 PolarHBondContact O-N 2.94Å; L351-H359 PolarHBondContact O-CD2 3.41Å; L351-V362 HydrophobicContact CB-CG1 4.14Å; L351-V362 HydrophobicContact CD1-CG1 4.43Å; L351-V362 HydrophobicContact CD2-CG1 4.34Å
352L86.5Confident82.4Confident11 Ų1124.8 Ų24.86%0.05814%0.143CC..Hα-helixtrans-71.5-26.3178.5-67.7169.5000113.6V348 A349 S350 T354 L366 M372 C395 A398 I399 M451V348-L352 HydrophobicContact CG1-CD1 3.91Å; V348-L352 HydrophobicContact CG1-CG 4.45Å; V348-L352 VanDerWaalsContact O-CG 3.22Å; V348-L352 WeakPolarHBondContact O-CG 3.47Å; V348-L352 PolarHBondContact O-N 3.12Å; A349-L352 PolarHBondContact O-N 3.45Å; S350-L352 VanDerWaalsContact C-N 3.33Å; S350-L352 PolarHBondContact O-N 2.79Å; L352-T354 VanDerWaalsContact C-N 3.34Å; L352-L366 HydrophobicContact CD2-CD1 3.9Å; L352-L366 HydrophobicContact CG-CD1 4.28Å; L352-M372 HydrophobicContact CD1-SD 3.97Å; L352-C395 HydrophobicContact CD1-CB 3.76Å; L352-A398 HydrophobicContact CB-CB 3.7Å; L352-I399 HydrophobicContact CD1-CD1 4.07Å; L352-I399 HydrophobicContact CD1-CG1 4.22Å; L352-I399 HydrophobicContact CD2-CD1 4.49Å; L352-I399 HydrophobicContact CD2-CG1 4.16Å; L352-M451 HydrophobicContact CD2-CE 3.72Å; L352-M451 HydrophobicContact CD2-SD 3.42Å; L352-M451 WeakPolarHBondContact CD2-SD 3.46Å
353Y80.7Confident82Confident81 Ų8124 Ų2432%0.31814%0.139SC..Hα-helixtrans-81.9-11.4172.1-81.4-60000113.9A349 S350 S355 L394 A398A349-Y353 VanDerWaalsContact O-CD2 3.29Å; A349-Y353 WeakPolarHBondContact O-CD2 3.39Å; A349-Y353 PolarHBondContact O-N 3.47Å; A349-Y353 VanDerWaalsContact O-N 3.12Å; S350-Y353 PolarHBondContact O-N 3.19Å; Y353-S355 PolarHBondContact O-N 3.1Å; Y353-S355 VanDerWaalsContact O-N 3.14Å; Y353-S355 PolarHBondContact O-OG 3.33Å; Y353-L394 HydrophobicContact CE2-CB 4.06Å; Y353-L394 HydrophobicContact CE2-CD2 3.94Å; Y353-L394 PolarHBondContact OH-O 3.37Å; Y353-A398 HydrophobicContact CD1-CB 3.88Å; Y353-A398 HydrophobicContact CD2-CB 4.25Å; Y353-A398 HydrophobicContact CE1-CB 3.74Å; Y353-A398 HydrophobicContact CE2-CB 4.15Å; Y353-A398 HydrophobicContact CG-CB 4.12Å
354T76.2Confident81.6Confident4 Ų429 Ų293%0.02516%0.163CC..  trans-71.6109.5-175.6-660000111.4I298 L303 S350 L351 L352 S356I298-T354 HydrophobicContact CB-CG2 4.08Å; I298-T354 HydrophobicContact CD1-CG2 3.65Å; I298-T354 HydrophobicContact CG1-CG2 4.46Å; I298-T354 HydrophobicContact CG2-CG2 4.02Å; L303-T354 HydrophobicContact CD1-CG2 3.8Å; L303-T354 HydrophobicContact CD2-CG2 4.04Å; L303-T354 HydrophobicContact CG-CG2 4.38Å; S350-T354 PolarHBondContact O-N 3.49Å; S350-T354 PolarHBondContact O-OG1 2.91Å; L351-T354 WeakPolarHBondContact O-CB 3.45Å; L351-T354 PolarHBondContact O-N 2.94Å; L352-T354 VanDerWaalsContact C-N 3.34Å; T354-S356 PolarHBondContact O-N 3.48Å
355S55.7Low81.3Confident44 Ų4430.2 Ų30.231%0.30817%0.168SC..  trans-87.895-169.5-55.70000112.3Y353 C403Y353-S355 PolarHBondContact O-N 3.1Å; Y353-S355 VanDerWaalsContact O-N 3.14Å; Y353-S355 PolarHBondContact O-OG 3.33Å; S355-C403 VanDerWaalsContact OG-CB 3.25Å; S355-C403 WeakPolarHBondContact OG-CB 3.49Å; S355-C403 PolarHBondContact OG-SG 3.43Å
356S59.9Low81.1Confident43 Ų4330.3 Ų30.330%0.30117%0.169SC..SBendtrans-168.7157.7172.8-85.80000112.1T354 S358 H359T354-S356 PolarHBondContact O-N 3.48Å; S356-S358 PolarHBondContact O-N 3.29Å; S356-S358 VanDerWaalsContact O-N 3.09Å; S356-H359 WeakPolarHBondContact O-CB 3.49Å; S356-H359 PolarHBondContact O-N 2.94Å
357A55Low81Confident54 Ų5427.4 Ų27.445%0.44616%0.16SC..THydrogen-bonded Turntrans-52.2-32.4173.900000113.7H359 A360 D444A357-H359 PolarHBondContact O-N 3.06Å; A357-H359 VanDerWaalsContact O-N 3.15Å; A357-A360 VanDerWaalsContact O-CB 3.24Å; A357-A360 WeakPolarHBondContact O-CB 3.36Å; A357-A360 PolarHBondContact O-N 2.96Å; A357-D444 VanDerWaalsContact CB-OD1 3.31Å; A357-D444 WeakPolarHBondContact CB-OD1 3.29Å
358S59.3Low81Confident33 Ų3334.2 Ų34.223%0.23119%0.185CC..THydrogen-bonded Turntrans-58.8-21.6173.4-58.40000114.3S300 S356 A360 V361S300-S358 WeakPolarHBondContact CB-OG 3.4Å; S356-S358 PolarHBondContact O-N 3.29Å; S356-S358 VanDerWaalsContact O-N 3.09Å; S358-A360 PolarHBondContact O-N 3.06Å; S358-V361 PolarHBondContact O-N 2.84Å
359H67.8Low81Confident30 Ų3035 Ų3514%0.13919%0.189CC..Hα-helixtrans-56.2-30.4170.8178.6-114000111.8L351 S356 A357 V361 V362 A363L351-H359 PolarHBondContact O-CD2 3.41Å; S356-H359 WeakPolarHBondContact O-CB 3.49Å; S356-H359 PolarHBondContact O-N 2.94Å; A357-H359 PolarHBondContact O-N 3.06Å; A357-H359 VanDerWaalsContact O-N 3.15Å; H359-V361 VanDerWaalsContact C-N 3.27Å; H359-V361 PolarHBondContact O-N 3.23Å; H359-V362 PolarHBondContact O-N 3.33Å; H359-V362 VanDerWaalsContact O-N 3.14Å; H359-A363 WeakPolarHBondContact O-CB 3.18Å; H359-A363 PolarHBondContact O-N 2.63Å
360A76.9Confident81.2Confident13 Ų1337.5 Ų37.511%0.10720%0.202CC..Hα-helixtrans-55.4-38.6-177.300000113.7A357 S358 Q364 A447A357-A360 VanDerWaalsContact O-CB 3.24Å; A357-A360 WeakPolarHBondContact O-CB 3.36Å; A357-A360 PolarHBondContact O-N 2.96Å; S358-A360 PolarHBondContact O-N 3.06Å; A360-Q364 VanDerWaalsContact O-CB 3.29Å; A360-Q364 WeakPolarHBondContact O-CB 3.49Å; A360-Q364 PolarHBondContact O-N 2.68Å; A360-A447 VanDerWaalsContact CA-CB 3.5Å; A360-A447 HydrophobicContact CB-CB 3.48Å; A360-A447 VanDerWaalsContact CB-CB 3.48Å
361V83.3Confident81.5Confident60 Ų6036.6 Ų36.636%0.36420%0.195SC..Hα-helixtrans-76.7-38.5-179.2-159.70000111.2Q307 S358 H359 Q364 E365Q307-V361 HydrophobicContact CG-CB 4.22Å; Q307-V361 HydrophobicContact CG-CG1 3.72Å; S358-V361 PolarHBondContact O-N 2.84Å; H359-V361 VanDerWaalsContact C-N 3.27Å; H359-V361 PolarHBondContact O-N 3.23Å; V361-Q364 PolarHBondContact O-N 2.93Å; V361-E365 WeakPolarHBondContact O-CB 3.42Å; V361-E365 PolarHBondContact O-N 3.48Å
362V87.3Confident81.7Confident2 Ų236.7 Ų36.71%0.01220%0.196CC..Hα-helixtrans-64.9-48174.91720000110.5L303 Q307 L310 L351 H359 Q364 E365 L366L303-V362 HydrophobicContact CB-CG2 4.47Å; L303-V362 HydrophobicContact CD2-CG2 4.47Å; Q307-V362 HydrophobicContact CB-CG2 4.25Å; L310-V362 HydrophobicContact CD1-CB 4.48Å; L310-V362 HydrophobicContact CD1-CG1 4.1Å; L351-V362 HydrophobicContact CB-CG1 4.14Å; L351-V362 HydrophobicContact CD1-CG1 4.43Å; L351-V362 HydrophobicContact CD2-CG1 4.34Å; H359-V362 PolarHBondContact O-N 3.33Å; H359-V362 VanDerWaalsContact O-N 3.14Å; V362-Q364 PolarHBondContact O-N 2.9Å; V362-E365 PolarHBondContact O-N 3.48Å; V362-L366 HydrophobicContact CG1-CD1 3.95Å; V362-L366 HydrophobicContact CG1-CG 4.4Å; V362-L366 WeakPolarHBondContact O-CB 3.26Å; V362-L366 VanDerWaalsContact O-CG 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 2.89Å
363A86.9Confident82.2Confident0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-56.1-47.4174.400000112.4H359 E365 L366 C367 M451H359-A363 WeakPolarHBondContact O-CB 3.18Å; H359-A363 PolarHBondContact O-N 2.63Å; A363-E365 PolarHBondContact O-N 2.95Å; A363-L366 PolarHBondContact O-N 2.9Å; A363-C367 WeakPolarHBondContact O-CB 3.37Å; A363-C367 PolarHBondContact O-N 3.26Å; A363-C367 PolarHBondContact O-SG 3.48Å; A363-M451 HydrophobicContact CB-CG 3.64Å; A363-M451 HydrophobicContact CB-SD 3.5Å; A363-M451 WeakPolarHBondContact CB-SD 3.3Å
364Q88.1Confident83Confident120 Ų12034.6 Ų34.656%0.56119%0.19SC*.Hα-helixtrans-61.8-42.5177.4-175.7177.78.300111.8A360 V361 V362 C367 R368 L450A360-Q364 VanDerWaalsContact O-CB 3.29Å; A360-Q364 WeakPolarHBondContact O-CB 3.49Å; A360-Q364 PolarHBondContact O-N 2.68Å; V361-Q364 PolarHBondContact O-N 2.93Å; V362-Q364 PolarHBondContact O-N 2.9Å; Q364-C367 PolarHBondContact O-N 3.06Å; Q364-R368 WeakPolarHBondContact O-CB 3.46Å; Q364-R368 PolarHBondContact O-N 2.86Å; Q364-L450 HydrophobicContact CB-CD2 4.45Å; Q364-L450 HydrophobicContact CG-CD2 4.36Å
365E91.1Very high84Confident26 Ų2634.5 Ų34.512%0.12119%0.19CC..Hα-helixtrans-71.9-38.5179.8-175.560.5-168.800112.4L310 V361 V362 A363 C367 R368 L369L310-E365 HydrophobicContact CB-CG 3.97Å; L310-E365 HydrophobicContact CD1-CB 3.88Å; L310-E365 HydrophobicContact CD1-CG 3.8Å; L310-E365 HydrophobicContact CG-CG 4.5Å; V361-E365 WeakPolarHBondContact O-CB 3.42Å; V361-E365 PolarHBondContact O-N 3.48Å; V362-E365 PolarHBondContact O-N 3.48Å; A363-E365 PolarHBondContact O-N 2.95Å; E365-C367 VanDerWaalsContact C-N 3.3Å; E365-C367 PolarHBondContact O-N 2.69Å; E365-R368 VanDerWaalsContact CD-NE 3.34Å; E365-R368 PolarHBondContact O-N 3.38Å; E365-R368 IonicContact OE1-CZ 3.19Å; E365-R368 IonicContact OE1-NE 3.74Å; E365-R368 PolarHBondContact OE1-NE 2.99Å; E365-R368 IonicContact OE1-NH2 3.49Å; E365-R368 PolarHBondContact OE1-NH2 3.1Å; E365-R368 WeakPolarHBondContact OE2-CD 3.37Å; E365-R368 IonicContact OE2-CZ 2.76Å; E365-R368 IonicContact OE2-NE 2.77Å; E365-R368 PolarHBondContact OE2-NE 3.03Å; E365-R368 IonicContact OE2-NH2 3.67Å; E365-L369 HydrophobicContact CG-CD1 4.01Å; E365-L369 WeakPolarHBondContact O-CB 3.16Å; E365-L369 VanDerWaalsContact O-CG 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.35Å; E365-L369 PolarHBondContact O-N 2.77Å
366L92.9Very high86Confident4 Ų432.5 Ų32.52%0.02118%0.175CC..Hα-helixtrans-61.7-36.6172.1-72.2173.7000112.3L310 V348 L352 V362 A363 N370 T371 M451L310-L366 HydrophobicContact CD1-CG 4.48Å; L310-L366 HydrophobicContact CD2-CD2 4.37Å; V348-L366 HydrophobicContact CG1-CD1 4.33Å; V348-L366 HydrophobicContact CG1-CD2 4.37Å; V348-L366 HydrophobicContact CG2-CD2 4.29Å; L352-L366 HydrophobicContact CD2-CD1 3.9Å; L352-L366 HydrophobicContact CG-CD1 4.28Å; V362-L366 HydrophobicContact CG1-CD1 3.95Å; V362-L366 HydrophobicContact CG1-CG 4.4Å; V362-L366 WeakPolarHBondContact O-CB 3.26Å; V362-L366 VanDerWaalsContact O-CG 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 2.89Å; A363-L366 PolarHBondContact O-N 2.9Å; L366-N370 PolarHBondContact O-N 3.44Å; L366-T371 HydrophobicContact CD2-CG2 4.04Å; L366-T371 PolarHBondContact O-N 2.9Å; L366-M451 HydrophobicContact CB-CE 4.44Å
367C92.6Very high87.8Confident15 Ų1534.2 Ų34.210%0.10118%0.181CC..Hα-helixtrans-69.2-44.7170.7-66.70000111.6A363 Q364 E365 L369 N370 H454A363-C367 WeakPolarHBondContact O-CB 3.37Å; A363-C367 PolarHBondContact O-N 3.26Å; A363-C367 PolarHBondContact O-SG 3.48Å; Q364-C367 PolarHBondContact O-N 3.06Å; E365-C367 VanDerWaalsContact C-N 3.3Å; E365-C367 PolarHBondContact O-N 2.69Å; C367-L369 PolarHBondContact O-N 2.94Å; C367-N370 PolarHBondContact O-N 3.26Å; C367-H454 PolarHBondContact O-NE2 2.92Å; C367-H454 VanDerWaalsContact O-NE2 3.17Å
368R94.4Very high89.7Confident146 Ų14631.9 Ų31.955%0.55116%0.161SC*.Hα-helixtrans-61.4-29.8178.7-163.3-158.862.668.5-7112.7Q364 E365Q364-R368 WeakPolarHBondContact O-CB 3.46Å; Q364-R368 PolarHBondContact O-N 2.86Å; E365-R368 VanDerWaalsContact CD-NE 3.34Å; E365-R368 PolarHBondContact O-N 3.38Å; E365-R368 IonicContact OE1-CZ 3.19Å; E365-R368 IonicContact OE1-NE 3.74Å; E365-R368 PolarHBondContact OE1-NE 2.99Å; E365-R368 IonicContact OE1-NH2 3.49Å; E365-R368 PolarHBondContact OE1-NH2 3.1Å; E365-R368 WeakPolarHBondContact OE2-CD 3.37Å; E365-R368 IonicContact OE2-CZ 2.76Å; E365-R368 IonicContact OE2-NE 2.77Å; E365-R368 PolarHBondContact OE2-NE 3.03Å; E365-R368 IonicContact OE2-NH2 3.67Å
369L95.3Very high91.5Very high20 Ų2030.3 Ų30.311%0.10515%0.15CC..THydrogen-bonded Turntrans-88.3-7.6175.3-68.9167.9000113.4L310 I311 H314 E365 C367 T371L310-L369 HydrophobicContact CB-CD1 3.94Å; I311-L369 HydrophobicContact CB-CD1 4.38Å; I311-L369 HydrophobicContact CB-CD2 4.05Å; I311-L369 HydrophobicContact CD1-CD2 4.35Å; I311-L369 HydrophobicContact CG1-CD2 3.87Å; H314-L369 HydrophobicContact CB-CD1 4.21Å; H314-L369 HydrophobicContact CB-CD2 4.48Å; H314-L369 PolarHBondContact CE1-O 3.01Å; H314-L369 PolarHBondContact ND1-O 2.85Å; E365-L369 HydrophobicContact CG-CD1 4.01Å; E365-L369 WeakPolarHBondContact O-CB 3.16Å; E365-L369 VanDerWaalsContact O-CG 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.35Å; E365-L369 PolarHBondContact O-N 2.77Å; C367-L369 PolarHBondContact O-N 2.94Å; L369-T371 WeakPolarHBondContact CB-OG1 3.3Å; L369-T371 PolarHBondContact O-N 2.91Å
370N95.4Very high92.9Very high58 Ų5830.8 Ų30.831%0.3115%0.152SC..THydrogen-bonded Turntrans54.930-173.1-162.735000113.4L366 C367 M372 D373 L374 H454L366-N370 PolarHBondContact O-N 3.44Å; C367-N370 PolarHBondContact O-N 3.26Å; N370-M372 VanDerWaalsContact C-N 3.28Å; N370-M372 PolarHBondContact O-N 3.15Å; N370-D373 VanDerWaalsContact CG-CB 3.44Å; N370-D373 VanDerWaalsContact ND2-CB 3.35Å; N370-D373 WeakPolarHBondContact ND2-CB 3.43Å; N370-D373 PolarHBondContact ND2-OD2 3.1Å; N370-D373 WeakPolarHBondContact O-CB 3.34Å; N370-D373 PolarHBondContact O-N 2.93Å; N370-D373 VanDerWaalsContact O-N 3.17Å; N370-D373 WeakPolarHBondContact OD1-CB 3.44Å; N370-L374 PolarHBondContact O-N 3.07Å; N370-H454 PolarHBondContact OD1-CE1 3.41Å; N370-H454 PolarHBondContact OD1-NE2 3.06Å
371T96.2Very high93.6Very high3 Ų334.9 Ų34.92%0.01817%0.167CC..Hα-helixtrans-62.4-32.9-170.4-61.80000113.2H314 L317 V348 L366 L369 D373 L374 L375H314-T371 PolarHBondContact ND1-OG1 3.39Å; L317-T371 HydrophobicContact CD1-CG2 3.85Å; V348-T371 HydrophobicContact CG2-CG2 4.1Å; L366-T371 HydrophobicContact CD2-CG2 4.04Å; L366-T371 PolarHBondContact O-N 2.9Å; L369-T371 WeakPolarHBondContact CB-OG1 3.3Å; L369-T371 PolarHBondContact O-N 2.91Å; T371-D373 VanDerWaalsContact C-N 3.35Å; T371-D373 PolarHBondContact O-N 3.35Å; T371-L374 PolarHBondContact O-N 3.28Å; T371-L375 HydrophobicContact CG2-CD1 4.4Å; T371-L375 WeakPolarHBondContact O-CG 3.2Å; T371-L375 PolarHBondContact O-N 3.01Å
372M95.1Very high94.1Very high4 Ų432.7 Ų32.72%0.0215%0.152CC..Hα-helixtrans-67.6-32.8178.6-79.2-55.5-50.700113.7V348 L352 N370 L375 L376 C395 V396 I399 M451V348-M372 HydrophobicContact CG1-SD 4.43Å; L352-M372 HydrophobicContact CD1-SD 3.97Å; N370-M372 VanDerWaalsContact C-N 3.28Å; N370-M372 PolarHBondContact O-N 3.15Å; M372-L375 PolarHBondContact O-N 2.76Å; M372-L375 HydrophobicContact SD-CD1 4.18Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 2.73Å; M372-L376 VanDerWaalsContact O-N 3.16Å; M372-C395 HydrophobicContact CE-CB 3.56Å; M372-C395 HydrophobicContact SD-CB 3.66Å; M372-V396 HydrophobicContact CE-CG2 4.3Å; M372-I399 HydrophobicContact CE-CD1 3.98Å; M372-I399 HydrophobicContact CG-CD1 3.74Å; M372-I399 HydrophobicContact SD-CD1 3.82Å; M372-M451 HydrophobicContact CG-CE 4.42Å
373D96.4Very high94.3Very high25 Ų2534 Ų3413%0.13416%0.159CC..Hα-helixtrans-71.8-42.3178.2-168.643.7000110.5N370 T371 L375 L376 D377 C459 R464N370-D373 VanDerWaalsContact CG-CB 3.44Å; N370-D373 VanDerWaalsContact ND2-CB 3.35Å; N370-D373 WeakPolarHBondContact ND2-CB 3.43Å; N370-D373 PolarHBondContact ND2-OD2 3.1Å; N370-D373 WeakPolarHBondContact O-CB 3.34Å; N370-D373 PolarHBondContact O-N 2.93Å; N370-D373 VanDerWaalsContact O-N 3.17Å; N370-D373 WeakPolarHBondContact OD1-CB 3.44Å; T371-D373 VanDerWaalsContact C-N 3.35Å; T371-D373 PolarHBondContact O-N 3.35Å; D373-L375 VanDerWaalsContact C-N 3.34Å; D373-L375 PolarHBondContact O-N 2.7Å; D373-L376 CarbonylContact O-C 3.59Å; D373-L376 WeakPolarHBondContact O-CB 3.43Å; D373-L376 PolarHBondContact O-N 3.32Å; D373-L376 VanDerWaalsContact O-N 3.1Å; D373-D377 PolarHBondContact O-N 2.81Å; D373-C459 HydrophobicContact CB-CB 4.26Å; D373-C459 WeakPolarHBondContact OD1-CA 3.29Å; D373-R464 IonicContact OD1-CZ 3.28Å; D373-R464 IonicContact OD1-NE 3.99Å; D373-R464 IonicContact OD1-NH2 2.84Å; D373-R464 PolarHBondContact OD1-NH2 3.37Å; D373-R464 IonicContact OD2-NH2 2.81Å
374L97.5Very high94.5Very high23 Ų2340 Ų4012%0.1218%0.182CC..Hα-helixtrans-61-38.9171.7177.659.1000112.6L317 L318 N370 T371 L376 D377 L378L317-L374 HydrophobicContact CB-CD2 3.53Å; L317-L374 HydrophobicContact CB-CG 4.2Å; L317-L374 HydrophobicContact CD1-CD2 4.33Å; L318-L374 HydrophobicContact CD2-CD1 3.83Å; L318-L374 HydrophobicContact CD2-CD2 3.63Å; L318-L374 HydrophobicContact CD2-CG 4.4Å; L318-L374 HydrophobicContact CG-CD2 3.83Å; N370-L374 PolarHBondContact O-N 3.07Å; T371-L374 PolarHBondContact O-N 3.28Å; L374-L376 VanDerWaalsContact C-N 3.3Å; L374-L376 PolarHBondContact O-N 2.84Å; L374-D377 PolarHBondContact O-N 3.08Å; L374-L378 HydrophobicContact CD1-CD1 4.37Å; L374-L378 HydrophobicContact CD1-CG 4.37Å; L374-L378 HydrophobicContact CG-CD1 4.25Å; L374-L378 WeakPolarHBondContact O-CB 3.26Å; L374-L378 VanDerWaalsContact O-CG 3.25Å; L374-L378 WeakPolarHBondContact O-CG 3.44Å; L374-L378 PolarHBondContact O-N 3Å
375L97.4Very high94.7Very high2 Ų236.3 Ų36.31%0.0117%0.166CC..Hα-helixtrans-65.3-33.3174-73.9173.7000112.3L317 A345 V348 T371 M372 D373 F379L317-L375 HydrophobicContact CD1-CD2 3.88Å; L317-L375 HydrophobicContact CD1-CG 4.17Å; L317-L375 HydrophobicContact CD2-CD2 3.98Å; A345-L375 HydrophobicContact CB-CD2 3.82Å; V348-L375 HydrophobicContact CB-CD1 4.15Å; V348-L375 HydrophobicContact CG1-CD1 3.82Å; V348-L375 HydrophobicContact CG2-CD1 4.5Å; T371-L375 HydrophobicContact CG2-CD1 4.4Å; T371-L375 WeakPolarHBondContact O-CG 3.2Å; T371-L375 PolarHBondContact O-N 3.01Å; M372-L375 PolarHBondContact O-N 2.76Å; M372-L375 HydrophobicContact SD-CD1 4.18Å; D373-L375 VanDerWaalsContact C-N 3.34Å; D373-L375 PolarHBondContact O-N 2.7Å; L375-F379 WeakPolarHBondContact O-CB 3.3Å; L375-F379 PolarHBondContact O-N 3.27Å
376L97.3Very high94.8Very high2 Ų239.6 Ų39.61%0.0119%0.185CC..Hα-helixtrans-73.7-38.3173.6-70.4166000112.1M372 D373 L374 L378 F379 F380 L455 C459 L461M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 2.73Å; M372-L376 VanDerWaalsContact O-N 3.16Å; D373-L376 CarbonylContact O-C 3.59Å; D373-L376 WeakPolarHBondContact O-CB 3.43Å; D373-L376 PolarHBondContact O-N 3.32Å; D373-L376 VanDerWaalsContact O-N 3.1Å; L374-L376 VanDerWaalsContact C-N 3.3Å; L374-L376 PolarHBondContact O-N 2.84Å; L376-L378 VanDerWaalsContact C-N 3.32Å; L376-L378 PolarHBondContact O-N 3.41Å; L376-F379 WeakPolarHBondContact O-CB 3.49Å; L376-F379 PolarHBondContact O-N 3.39Å; L376-F380 WeakPolarHBondContact O-CD2 3.49Å; L376-F380 PolarHBondContact O-N 2.99Å; L376-F380 VanDerWaalsContact O-N 3.12Å; L376-L455 HydrophobicContact CD1-CD1 4.36Å; L376-C459 HydrophobicContact CD1-CB 3.88Å; L376-L461 HydrophobicContact CD1-CD1 4.29Å; L376-L461 HydrophobicContact CD2-CD1 4.33Å
377D97.1Very high95Very high78 Ų7845.7 Ų45.742%0.41721%0.211SC..Hα-helixtrans-58.8-44.4170.5-78.5-11.7000111.6D373 L374 F380 K381 R464D373-D377 PolarHBondContact O-N 2.81Å; L374-D377 PolarHBondContact O-N 3.08Å; D377-F380 PolarHBondContact O-N 3.23Å; D377-K381 WeakPolarHBondContact O-CB 3.43Å; D377-K381 PolarHBondContact O-N 3.35Å; D377-R464 IonicContact OD1-CZ 3.25Å; D377-R464 IonicContact OD1-NH1 3.55Å; D377-R464 PolarHBondContact OD1-NH1 2.83Å; D377-R464 IonicContact OD1-NH2 3.96Å; D377-R464 PolarHBondContact OD1-NH2 3.42Å
378L96.4Very high95.1Very high6 Ų645 Ų453%0.03121%0.207CC..Hα-helixtrans-64.4-39.5175.6-67.4167.9000111.7L317 L374 L376 F380 K381 Y382 L388L317-L378 HydrophobicContact CB-CD1 4.26Å; L317-L378 HydrophobicContact CD2-CD1 4.05Å; L374-L378 HydrophobicContact CD1-CD1 4.37Å; L374-L378 HydrophobicContact CD1-CG 4.37Å; L374-L378 HydrophobicContact CG-CD1 4.25Å; L374-L378 WeakPolarHBondContact O-CB 3.26Å; L374-L378 VanDerWaalsContact O-CG 3.25Å; L374-L378 WeakPolarHBondContact O-CG 3.44Å; L374-L378 PolarHBondContact O-N 3Å; L376-L378 VanDerWaalsContact C-N 3.32Å; L376-L378 PolarHBondContact O-N 3.41Å; L378-F380 PolarHBondContact O-N 3.12Å; L378-K381 HydrophobicContact CD2-CD 4.49Å; L378-K381 PolarHBondContact O-N 3.03Å; L378-Y382 HydrophobicContact CD2-CD2 4.28Å; L378-Y382 HydrophobicContact CD2-CE2 3.79Å; L378-Y382 WeakPolarHBondContact O-CD2 3.04Å; L378-Y382 PolarHBondContact O-N 2.86Å; L378-L388 HydrophobicContact CB-CD2 4Å; L378-L388 WeakPolarHBondContact O-CD2 3.31Å
379F96.8Very high95.3Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-55.1-49.2175.1176.8-81.1000112L375 L376 H389 A392 Y485 H488 L489 I492L375-F379 WeakPolarHBondContact O-CB 3.3Å; L375-F379 PolarHBondContact O-N 3.27Å; L376-F379 WeakPolarHBondContact O-CB 3.49Å; L376-F379 PolarHBondContact O-N 3.39Å; F379-H389 HydrophobicContact CD2-CB 4Å; F379-H389 AromaticContact CD2-CD2 3.41Å; F379-H389 VanDerWaalsContact CD2-CD2 3.41Å; F379-H389 WeakPolarHBondContact CD2-CD2 3.34Å; F379-H389 AromaticContact CD2-CG 4Å; F379-H389 HydrophobicContact CE2-CB 3.69Å; F379-H389 AromaticContact CE2-CD2 3.75Å; F379-H389 AromaticContact CE2-CG 3.91Å; F379-H389 AromaticContact CG-CD2 3.76Å; F379-H389 PolarHBondContact O-NE2 3.38Å; F379-A392 HydrophobicContact CB-CB 4.43Å; F379-A392 HydrophobicContact CD2-CB 3.69Å; F379-A392 HydrophobicContact CE2-CB 4.42Å; F379-A392 HydrophobicContact CG-CB 4.48Å; F379-Y485 HydrophobicContact CD1-CD1 4.42Å; F379-Y485 HydrophobicContact CD1-CG 4.43Å; F379-Y485 HydrophobicContact CE1-CD1 4.21Å; F379-Y485 HydrophobicContact CE1-CD2 4.13Å; F379-Y485 AromaticContact CE1-CG 3.79Å; F379-Y485 HydrophobicContact CE1-CG 3.79Å; F379-Y485 HydrophobicContact CZ-CG 4.32Å; F379-H488 HydrophobicContact CE2-CB 4.09Å; F379-H488 HydrophobicContact CZ-CB 4.18Å; F379-L489 HydrophobicContact CE1-CD1 4.23Å; F379-L489 HydrophobicContact CZ-CD1 4.48Å; F379-I492 HydrophobicContact CE2-CD1 3.96Å; F379-I492 HydrophobicContact CZ-CD1 4.05Å
380F95.6Very high95.3Very high39 Ų3940 Ų4017%0.17119%0.191CC..Hα-helixtrans-77.2-31.8-179.7-63.9-66.7000113L376 D377 L378 N383 R464 A468 Y485 L489L376-F380 WeakPolarHBondContact O-CD2 3.49Å; L376-F380 PolarHBondContact O-N 2.99Å; L376-F380 VanDerWaalsContact O-N 3.12Å; D377-F380 PolarHBondContact O-N 3.23Å; L378-F380 PolarHBondContact O-N 3.12Å; F380-N383 PolarHBondContact O-ND2 3.41Å; F380-R464 HydrophobicContact CE2-CB 3.89Å; F380-R464 HydrophobicContact CE2-CG 4.34Å; F380-R464 HydrophobicContact CZ-CB 4.15Å; F380-A468 HydrophobicContact CD1-CB 3.96Å; F380-A468 HydrophobicContact CE1-CB 3.39Å; F380-A468 HydrophobicContact CZ-CB 4.16Å; F380-Y485 HydrophobicContact CD1-CD1 4.22Å; F380-Y485 AromaticContact CD1-CE1 3.66Å; F380-Y485 HydrophobicContact CD1-CE1 3.66Å; F380-Y485 HydrophobicContact CD1-CE2 4.25Å; F380-Y485 AromaticContact CD1-CZ 3.7Å; F380-Y485 HydrophobicContact CE1-CE1 4.41Å; F380-Y485 HydrophobicContact CE1-CE2 4.25Å; F380-L489 HydrophobicContact CE1-CD1 4.14Å; F380-L489 HydrophobicContact CZ-CD1 4.09Å
381K93.3Very high95.3Very high100 Ų10038.2 Ų38.244%0.43518%0.18SC..Hα-helixtrans-64.4-38.9174.3-179.5-178178.3-1770112.8E335 D377 L378 N383E335-K381 IonicContact OE1-NZ 2.62Å; E335-K381 PolarHBondContact OE1-NZ 3.02Å; E335-K381 IonicContact OE2-NZ 3.65Å; E335-K381 PolarHBondContact OE2-NZ 3.27Å; D377-K381 WeakPolarHBondContact O-CB 3.43Å; D377-K381 PolarHBondContact O-N 3.35Å; L378-K381 HydrophobicContact CD2-CD 4.49Å; L378-K381 PolarHBondContact O-N 3.03Å; K381-N383 PolarHBondContact O-OD1 3.33Å
382Y93.3Very high95.3Very high13 Ų1338.2 Ų38.25%0.05118%0.18CC..SBendtrans-103.268.6-177.9-69-75000111.2L333 E335 L337 R341 L378 W384 N385 L388 H389L333-Y382 HydrophobicContact CD1-CE1 4.19Å; L333-Y382 HydrophobicContact CD2-CE1 4.36Å; E335-Y382 WeakPolarHBondContact O-CE1 3.41Å; E335-Y382 PolarHBondContact O-OH 3.39Å; L337-Y382 HydrophobicContact CB-CD1 4.37Å; L337-Y382 HydrophobicContact CB-CE1 4.21Å; L337-Y382 HydrophobicContact CB-CE2 4.42Å; L337-Y382 HydrophobicContact CD1-CD2 3.78Å; L337-Y382 HydrophobicContact CD1-CE2 3.71Å; L337-Y382 HydrophobicContact CD1-CG 4.45Å; R341-Y382 PolarHBondContact NH1-OH 3.31Å; L378-Y382 HydrophobicContact CD2-CD2 4.28Å; L378-Y382 HydrophobicContact CD2-CE2 3.79Å; L378-Y382 WeakPolarHBondContact O-CD2 3.04Å; L378-Y382 PolarHBondContact O-N 2.86Å; Y382-W384 PolarHBondContact O-N 3.48Å; Y382-N385 PolarHBondContact O-N 2.95Å; Y382-N385 VanDerWaalsContact O-N 3.1Å; Y382-L388 HydrophobicContact CD2-CD2 4.13Å; Y382-H389 PolarHBondContact O-CE1 2.97Å; Y382-H389 PolarHBondContact O-NE2 2.9Å
383N91.9Very high95.3Very high30 Ų3038.6 Ų38.616%0.1618%0.182CC..THydrogen-bonded Turntrans-54.7-13.4-169-50.589.5000116.8F380 K381 G484 Y485F380-N383 PolarHBondContact O-ND2 3.41Å; K381-N383 PolarHBondContact O-OD1 3.33Å; N383-G484 VanDerWaalsContact O-CA 3.27Å; N383-G484 WeakPolarHBondContact O-CA 3.46Å; N383-G484 PolarHBondContact O-N 2.94Å; N383-G484 VanDerWaalsContact O-N 3.17Å; N383-Y485 HydrophobicContact CB-CD1 4.43Å; N383-Y485 HydrophobicContact CB-CE1 4.47Å; N383-Y485 WeakPolarHBondContact ND2-CE1 3.28Å; N383-Y485 PolarHBondContact O-N 2.89Å
384W90.4Very high95.1Very high127 Ų12739.9 Ų39.948%0.48119%0.189SC..THydrogen-bonded Turntrans-126.311.8-173.5-52.7105.4000113.9L330 Y382 N386 M481 R482L330-W384 HydrophobicContact CD1-CD2 4.05Å; L330-W384 VanDerWaalsContact CD1-CE2 3.46Å; L330-W384 HydrophobicContact CD1-CG 4.28Å; L330-W384 HydrophobicContact CD1-CZ2 3.81Å; L330-W384 VanDerWaalsContact CD1-NE1 3.32Å; Y382-W384 PolarHBondContact O-N 3.48Å; W384-N386 PolarHBondContact O-N 2.9Å; W384-M481 HydrophobicContact CH2-CB 4.39Å; W384-R482 VanDerWaalsContact CH2-O 3.22Å; W384-R482 WeakPolarHBondContact CH2-O 3.47Å
385N92.6Very high94.8Very high41 Ų4138.8 Ų38.822%0.21918%0.183CC..  trans-97.481.5-179.7-164.1-64.2000112.3Y382 F387 L388 H389Y382-N385 PolarHBondContact O-N 2.95Å; Y382-N385 VanDerWaalsContact O-N 3.1Å; N385-F387 PolarHBondContact O-N 3.15Å; N385-F387 VanDerWaalsContact O-N 3.13Å; N385-L388 HydrophobicContact CB-CB 4.19Å; N385-L388 PolarHBondContact O-N 3.46Å; N385-L388 VanDerWaalsContact O-N 3.09Å; N385-L388 WeakPolarHBondContact OD1-CB 3.45Å; N385-L388 PolarHBondContact OD1-N 2.91Å; N385-H389 PolarHBondContact N-CE1 3.37Å; N385-H389 VanDerWaalsContact O-CG 3.24Å; N385-H389 PolarHBondContact O-N 3.29Å; N385-H389 PolarHBondContact O-ND1 3.31Å
386N93.9Very high94.6Very high96 Ų9638.7 Ų38.751%0.51318%0.183SC..Hα-helixtrans-54.7-33.4-178.2-610.1000113.2W384 H389 L390W384-N386 PolarHBondContact O-N 2.9Å; N386-H389 PolarHBondContact O-N 2.73Å; N386-L390 WeakPolarHBondContact O-CB 3.42Å; N386-L390 PolarHBondContact O-N 2.88Å
387F95.5Very high94.2Very high131 Ų13139.4 Ų39.458%0.57519%0.189SC*.Hα-helixtrans-64.5-44.3178.3-62-65.9000112.3L342 N385 Q391L342-F387 HydrophobicContact CD1-CB 3.79Å; L342-F387 HydrophobicContact CD2-CB 3.84Å; L342-F387 HydrophobicContact CD2-CG 4.42Å; L342-F387 HydrophobicContact CG-CB 4.49Å; N385-F387 PolarHBondContact O-N 3.15Å; N385-F387 VanDerWaalsContact O-N 3.13Å; F387-Q391 WeakPolarHBondContact O-CG 3.48Å; F387-Q391 PolarHBondContact O-N 2.85Å
388L96.4Very high93.7Very high1 Ų136.1 Ų36.11%0.00517%0.173CC..Hα-helixtrans-65.3-42172.9177.867.7000111.3L337 A345 L378 Y382 N385 L390 Q391 A392L337-L388 HydrophobicContact CD1-CD2 4Å; L337-L388 HydrophobicContact CD2-CB 3.85Å; L337-L388 HydrophobicContact CD2-CD1 4.4Å; L337-L388 HydrophobicContact CD2-CD2 4.13Å; L337-L388 HydrophobicContact CD2-CG 4.36Å; A345-L388 HydrophobicContact CB-CD1 4.07Å; L378-L388 HydrophobicContact CB-CD2 4Å; L378-L388 WeakPolarHBondContact O-CD2 3.31Å; Y382-L388 HydrophobicContact CD2-CD2 4.13Å; N385-L388 HydrophobicContact CB-CB 4.19Å; N385-L388 PolarHBondContact O-N 3.46Å; N385-L388 VanDerWaalsContact O-N 3.09Å; N385-L388 WeakPolarHBondContact OD1-CB 3.45Å; N385-L388 PolarHBondContact OD1-N 2.91Å; L388-L390 VanDerWaalsContact C-N 3.31Å; L388-L390 PolarHBondContact O-N 3.37Å; L388-Q391 PolarHBondContact O-N 2.77Å; L388-Q391 VanDerWaalsContact O-N 3.1Å; L388-A392 PolarHBondContact O-N 3.45Å
389H97.1Very high93.2Very high0 Ų036.1 Ų36.10%017%0.172CC..Hα-helixtrans-62.2-40.2-179.9-57.7151.3000112F379 Y382 N385 N386 A392 E393 H488F379-H389 HydrophobicContact CD2-CB 4Å; F379-H389 AromaticContact CD2-CD2 3.41Å; F379-H389 VanDerWaalsContact CD2-CD2 3.41Å; F379-H389 WeakPolarHBondContact CD2-CD2 3.34Å; F379-H389 AromaticContact CD2-CG 4Å; F379-H389 HydrophobicContact CE2-CB 3.69Å; F379-H389 AromaticContact CE2-CD2 3.75Å; F379-H389 AromaticContact CE2-CG 3.91Å; F379-H389 AromaticContact CG-CD2 3.76Å; F379-H389 PolarHBondContact O-NE2 3.38Å; Y382-H389 PolarHBondContact O-CE1 2.97Å; Y382-H389 PolarHBondContact O-NE2 2.9Å; N385-H389 PolarHBondContact N-CE1 3.37Å; N385-H389 VanDerWaalsContact O-CG 3.24Å; N385-H389 PolarHBondContact O-N 3.29Å; N385-H389 PolarHBondContact O-ND1 3.31Å; N386-H389 PolarHBondContact O-N 2.73Å; H389-A392 PolarHBondContact O-N 3.09Å; H389-E393 WeakPolarHBondContact O-CB 3.31Å; H389-E393 PolarHBondContact O-N 3.47Å; H389-H488 HydrophobicContact CB-CB 3.96Å; H389-H488 WeakPolarHBondContact CB-CD2 3.3Å
390L95.9Very high92.6Very high61 Ų6136.1 Ų36.132%0.31917%0.172SC..Hα-helixtrans-61.6-43.2170.9-179.861.8000112.2N386 L388 E393 L394N386-L390 WeakPolarHBondContact O-CB 3.42Å; N386-L390 PolarHBondContact O-N 2.88Å; L388-L390 VanDerWaalsContact C-N 3.31Å; L388-L390 PolarHBondContact O-N 3.37Å; L390-E393 PolarHBondContact O-N 3.47Å; L390-L394 HydrophobicContact CD1-CD1 4.18Å; L390-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 HydrophobicContact CG-CG 4.49Å; L390-L394 WeakPolarHBondContact O-CB 3.49Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 3.49Å
391Q95.1Very high91.8Very high21 Ų2142.2 Ų42.210%0.09819%0.194CC..Hα-helixtrans-65.9-41.5178.2-61.8-37.2-67.200112.4L342 A345 R346 F387 L388 L394 C395L342-Q391 HydrophobicContact CD1-CG 4.15Å; A345-Q391 HydrophobicContact CB-CB 3.84Å; A345-Q391 HydrophobicContact CB-CG 4.13Å; R346-Q391 HydrophobicContact CG-CG 3.84Å; F387-Q391 WeakPolarHBondContact O-CG 3.48Å; F387-Q391 PolarHBondContact O-N 2.85Å; L388-Q391 PolarHBondContact O-N 2.77Å; L388-Q391 VanDerWaalsContact O-N 3.1Å; Q391-L394 PolarHBondContact O-N 3.04Å; Q391-C395 PolarHBondContact O-N 3.05Å; Q391-C395 PolarHBondContact O-SG 3.16Å
392A96.2Very high90.4Very high2 Ų238.5 Ų38.52%0.01718%0.181CC..Hα-helixtrans-66.5-40.1176.800000112F379 L388 H389 C395 V396F379-A392 HydrophobicContact CB-CB 4.43Å; F379-A392 HydrophobicContact CD2-CB 3.69Å; F379-A392 HydrophobicContact CE2-CB 4.42Å; F379-A392 HydrophobicContact CG-CB 4.48Å; L388-A392 PolarHBondContact O-N 3.45Å; H389-A392 PolarHBondContact O-N 3.09Å; A392-C395 PolarHBondContact O-N 3.43Å; A392-V396 WeakPolarHBondContact O-CG2 3.28Å; A392-V396 PolarHBondContact O-N 3.35Å
393E94.8Very high88.6Confident13 Ų1340.9 Ų40.96%0.06120%0.198CC..Hα-helixtrans-58.5-47.5171.5-178.9-169.9141.400111.1H389 L390 C395 V396 A397 H488 R491 I492H389-E393 WeakPolarHBondContact O-CB 3.31Å; H389-E393 PolarHBondContact O-N 3.47Å; L390-E393 PolarHBondContact O-N 3.47Å; E393-C395 PolarHBondContact O-N 2.86Å; E393-V396 PolarHBondContact O-N 3.43Å; E393-A397 WeakPolarHBondContact O-CB 3.27Å; E393-A397 PolarHBondContact O-N 3.18Å; E393-H488 IonicContact OE2-CE1 2.69Å; E393-H488 IonicContact OE2-CG 3.12Å; E393-H488 IonicContact OE2-ND1 2.75Å; E393-H488 PolarHBondContact OE2-ND1 2.9Å; E393-R491 VanDerWaalsContact CD-NE 3.25Å; E393-R491 IonicContact OE1-CZ 3.79Å; E393-R491 IonicContact OE1-NE 3.49Å; E393-R491 PolarHBondContact OE1-NE 3.22Å; E393-R491 IonicContact OE1-NH2 2.7Å; E393-R491 PolarHBondContact OE1-NH2 3.36Å; E393-R491 IonicContact OE2-CZ 2.88Å; E393-R491 IonicContact OE2-NE 2.73Å; E393-R491 PolarHBondContact OE2-NE 3.11Å; E393-R491 IonicContact OE2-NH2 3.76Å; E393-I492 HydrophobicContact CB-CD1 4.25Å; E393-I492 HydrophobicContact CB-CG1 4.04Å; E393-I492 HydrophobicContact CG-CG1 3.96Å
394L91.8Very high86.2Confident51 Ų5143.3 Ų43.327%0.26722%0.223SC..Hα-helixtrans-61.2-42177.5-76171.1000112.2A349 Y353 L390 Q391 A397 A398A349-L394 HydrophobicContact CB-CB 4.19Å; Y353-L394 HydrophobicContact CE2-CB 4.06Å; Y353-L394 HydrophobicContact CE2-CD2 3.94Å; Y353-L394 PolarHBondContact OH-O 3.37Å; L390-L394 HydrophobicContact CD1-CD1 4.18Å; L390-L394 HydrophobicContact CD1-CG 4.25Å; L390-L394 HydrophobicContact CG-CD1 4Å; L390-L394 HydrophobicContact CG-CG 4.49Å; L390-L394 WeakPolarHBondContact O-CB 3.49Å; L390-L394 WeakPolarHBondContact O-CG 3.44Å; L390-L394 PolarHBondContact O-N 3.49Å; Q391-L394 PolarHBondContact O-N 3.04Å; L394-A397 PolarHBondContact O-N 3.21Å; L394-A398 WeakPolarHBondContact O-CB 3.05Å; L394-A398 PolarHBondContact O-N 2.65Å
395C92.1Very high83.9Confident0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-61.7-45.4174.2-65.60000112.1A349 L352 M372 Q391 A392 E393 A398 I399A349-C395 VanDerWaalsContact CA-SG 3.55Å; L352-C395 HydrophobicContact CD1-CB 3.76Å; M372-C395 HydrophobicContact CE-CB 3.56Å; M372-C395 HydrophobicContact SD-CB 3.66Å; Q391-C395 PolarHBondContact O-N 3.05Å; Q391-C395 PolarHBondContact O-SG 3.16Å; A392-C395 PolarHBondContact O-N 3.43Å; E393-C395 PolarHBondContact O-N 2.86Å; C395-A398 PolarHBondContact O-N 3.1Å; C395-I399 WeakPolarHBondContact O-CD1 3.39Å; C395-I399 WeakPolarHBondContact O-CG1 3.26Å; C395-I399 PolarHBondContact O-N 3.34Å; C395-I399 VanDerWaalsContact O-N 3.11Å
396V92.3Very high81.4Confident1 Ų144.7 Ų44.71%0.00623%0.233CC..Hα-helixtrans-63.9-43.2176.4169.50000110.9M372 A392 E393 A398 I399 V400 L455 L461 I492M372-V396 HydrophobicContact CE-CG2 4.3Å; A392-V396 WeakPolarHBondContact O-CG2 3.28Å; A392-V396 PolarHBondContact O-N 3.35Å; E393-V396 PolarHBondContact O-N 3.43Å; V396-A398 PolarHBondContact O-N 3.49Å; V396-I399 PolarHBondContact O-N 3.5Å; V396-V400 HydrophobicContact CG1-CG2 4.18Å; V396-V400 VanDerWaalsContact O-CB 3.3Å; V396-V400 WeakPolarHBondContact O-CB 3.34Å; V396-V400 VanDerWaalsContact O-CG2 3.27Å; V396-V400 WeakPolarHBondContact O-CG2 3.41Å; V396-V400 PolarHBondContact O-N 3.49Å; V396-L455 HydrophobicContact CG1-CD2 4.24Å; V396-L455 HydrophobicContact CG2-CD1 4.29Å; V396-L455 HydrophobicContact CG2-CD2 4.48Å; V396-L461 HydrophobicContact CG1-CD2 4.04Å; V396-I492 HydrophobicContact CG1-CG2 4.18Å
397A89.4Confident78.9Confident17 Ų1745.1 Ų45.114%0.1423%0.233CC..Hα-helixtrans-63.1-39.3177.800000112.3E393 L394 R401 T495E393-A397 WeakPolarHBondContact O-CB 3.27Å; E393-A397 PolarHBondContact O-N 3.18Å; L394-A397 PolarHBondContact O-N 3.21Å; A397-R401 VanDerWaalsContact O-CB 3.27Å; A397-R401 WeakPolarHBondContact O-CB 3.49Å; A397-R401 PolarHBondContact O-N 2.91Å; A397-T495 HydrophobicContact CB-CG2 4.25Å
398A86Confident76Confident9 Ų948.5 Ų48.57%0.07424%0.242CC..Hα-helixtrans-63.8-43.7174.800000112.6L352 Y353 L394 C395 V396L352-A398 HydrophobicContact CB-CB 3.7Å; Y353-A398 HydrophobicContact CD1-CB 3.88Å; Y353-A398 HydrophobicContact CD2-CB 4.25Å; Y353-A398 HydrophobicContact CE1-CB 3.74Å; Y353-A398 HydrophobicContact CE2-CB 4.15Å; Y353-A398 HydrophobicContact CG-CB 4.12Å; L394-A398 WeakPolarHBondContact O-CB 3.05Å; L394-A398 PolarHBondContact O-N 2.65Å; C395-A398 PolarHBondContact O-N 3.1Å; V396-A398 PolarHBondContact O-N 3.49Å
399I87.4Confident73.1Confident5 Ų554.8 Ų54.83%0.02628%0.275CS..Hα-helixtrans-69.6-33.2178.7-66.3163.1000112.3L352 M372 C395 V396 H448 M451 V452 L455L352-I399 HydrophobicContact CD1-CD1 4.07Å; L352-I399 HydrophobicContact CD1-CG1 4.22Å; L352-I399 HydrophobicContact CD2-CD1 4.49Å; L352-I399 HydrophobicContact CD2-CG1 4.16Å; M372-I399 HydrophobicContact CE-CD1 3.98Å; M372-I399 HydrophobicContact CG-CD1 3.74Å; M372-I399 HydrophobicContact SD-CD1 3.82Å; C395-I399 WeakPolarHBondContact O-CD1 3.39Å; C395-I399 WeakPolarHBondContact O-CG1 3.26Å; C395-I399 PolarHBondContact O-N 3.34Å; C395-I399 VanDerWaalsContact O-N 3.11Å; V396-I399 PolarHBondContact O-N 3.5Å; I399-H448 PolarHBondContact O-CE1 2.63Å; I399-H448 VanDerWaalsContact O-CE1 3.26Å; I399-H448 PolarHBondContact O-NE2 2.87Å; I399-M451 HydrophobicContact CD1-CE 3.8Å; I399-M451 HydrophobicContact CG1-CB 4.36Å; I399-M451 HydrophobicContact CG1-CE 4.06Å; I399-M451 HydrophobicContact CG1-SD 4.21Å; I399-M451 HydrophobicContact CG2-CB 3.85Å; I399-V452 HydrophobicContact CG2-CG2 4.24Å; I399-V452 VanDerWaalsContact O-CG2 3.26Å; I399-V452 WeakPolarHBondContact O-CG2 3.45Å; I399-L455 HydrophobicContact CB-CD2 4.1Å; I399-L455 HydrophobicContact CD1-CD2 4.49Å; I399-L455 HydrophobicContact CG2-CB 4.21Å; I399-L455 HydrophobicContact CG2-CD2 3.69Å
400V84Confident70.2Confident0 Ų060.4 Ų60.40%030%0.301CS..Hα-helixtrans-90.7-24.5-174.5173.10000112.5V396 P402 L455 F456 T495 N499 I509V396-V400 HydrophobicContact CG1-CG2 4.18Å; V396-V400 VanDerWaalsContact O-CB 3.3Å; V396-V400 WeakPolarHBondContact O-CB 3.34Å; V396-V400 VanDerWaalsContact O-CG2 3.27Å; V396-V400 WeakPolarHBondContact O-CG2 3.41Å; V396-V400 PolarHBondContact O-N 3.49Å; V400-P402 WeakPolarHBondContact O-CD 3.43Å; V400-L455 HydrophobicContact CG2-CD2 3.82Å; V400-F456 HydrophobicContact CG2-CE2 4.37Å; V400-T495 HydrophobicContact CG1-CG2 4.36Å; V400-N499 HydrophobicContact CG1-CB 3.53Å; V400-N499 PolarHBondContact O-OD1 3.23Å; V400-I509 HydrophobicContact CG1-CD1 4.02Å
401R78.9Confident66.9Low167 Ų16763.2 Ų63.263%0.6332%0.321SS*.SBendtrans-120.984.9-178.9-170.9-176.4-177163.82.6110.8A397A397-R401 VanDerWaalsContact O-CB 3.27Å; A397-R401 WeakPolarHBondContact O-CB 3.49Å; A397-R401 PolarHBondContact O-N 2.91Å
402P63.8Low63.9Low23 Ų2365 Ų6515%0.14935%0.345CS..  trans-55.6147.1176.514.4-24000111.9V400 A404 H448 P504 V505V400-P402 WeakPolarHBondContact O-CD 3.43Å; P402-A404 PolarHBondContact O-N 2.94Å; P402-H448 WeakPolarHBondContact CB-NE2 3.42Å; P402-H448 WeakPolarHBondContact CD-NE2 3.29Å; P402-P504 HydrophobicContact CG-CB 3.92Å; P402-P504 HydrophobicContact CG-CG 4Å; P402-V505 HydrophobicContact CG-CG1 4.39Å
403C54.4Low60.7Low63 Ų6374.2 Ų74.243%0.42639%0.385SS..  trans-69.1125.4-171.7-160.50000111.2S355 H405 E406S355-C403 VanDerWaalsContact OG-CB 3.25Å; S355-C403 WeakPolarHBondContact OG-CB 3.49Å; S355-C403 PolarHBondContact OG-SG 3.43Å; C403-H405 PolarHBondContact O-N 3.46Å; C403-E406 PolarHBondContact O-N 2.89Å
404A43Very low57.6Low81 Ų8179 Ų7967%0.66942%0.42SS*.THydrogen-bonded Turntrans-63.4-6.6-167.500000115.6P402P402-A404 PolarHBondContact O-N 2.94Å
405H40.6Very low54.5Low133 Ų13382.4 Ų82.462%0.61645%0.448SS*.Hα-helixtrans-65.7-36.1175.8-16077.7000112.4C403 M407C403-H405 PolarHBondContact O-N 3.46Å; H405-M407 PolarHBondContact O-N 3.38Å
406E41.4Very low51.5Low63 Ų6389.5 Ų89.529%0.29448%0.481SS..Hα-helixtrans-69.2-37.1-174.3-62.9-175.1145.500112.9C403 R408C403-E406 PolarHBondContact O-N 2.89Å; E406-R408 PolarHBondContact O-N 3.37Å
407M40Very low48.3Very low105 Ų10597.2 Ų97.252%0.51752%0.523SS..Hα-helixtrans-69.4-34.7-175.5-61.2-169.585.500113.2H405 L409 Q410 T411 P504H405-M407 PolarHBondContact O-N 3.38Å; M407-L409 PolarHBondContact O-N 3.47Å; M407-Q410 PolarHBondContact O-N 3.06Å; M407-Q410 VanDerWaalsContact O-N 3.09Å; M407-T411 PolarHBondContact O-N 3.13Å; M407-P504 HydrophobicContact CE-CB 3.97Å; M407-P504 HydrophobicContact CE-CG 4.42Å; M407-P504 HydrophobicContact SD-CB 3.7Å; M407-P504 HydrophobicContact SD-CG 3.62Å
408R35.7Very low45.5Very low203 Ų203103.9 Ų103.977%0.76655%0.548SS*.Hα-helixtrans-67.5-24.1-175.9-164.7178.9-73.1-160.10.3112.6E406 T411E406-R408 PolarHBondContact O-N 3.37Å; R408-T411 PolarHBondContact O-OG1 2.9Å
409L34.3Very low42.5Very low133 Ų133109.1 Ų109.170%0.69658%0.584SS**Hα-helixtrans-78.8-27.7173.5-72.3167.1000113.1M407M407-L409 PolarHBondContact O-N 3.47Å
410Q36.5Very low39.5Very low117 Ų117118.2 Ų118.255%0.54762%0.624SS.*Hα-helixtrans-82.3-29.8-176.1-64.2-175.618.300113.2M407 G412M407-Q410 PolarHBondContact O-N 3.06Å; M407-Q410 VanDerWaalsContact O-N 3.09Å; Q410-G412 PolarHBondContact O-N 3.48Å; Q410-G412 VanDerWaalsContact O-N 3.1Å
411T27.8Very low37.1Very low121 Ų121124.5 Ų124.574%0.74267%0.665SS**THydrogen-bonded Turntrans-67.2-7.5179.541.30000115.2M407 R408M407-T411 PolarHBondContact O-N 3.13Å; R408-T411 PolarHBondContact O-OG1 2.9Å
412G30.5Very low34.4Very low59 Ų59122 Ų12261%0.60867%0.672SS**THydrogen-bonded Turntrans-78.7-20.7-178.600000116Q410Q410-G412 PolarHBondContact O-N 3.48Å; Q410-G412 VanDerWaalsContact O-N 3.1Å
413F30.7Very low33.3Very low194 Ų194126.6 Ų126.685%0.85170%0.702SS**SBendtrans-129.164.2-168.7-81.7-80.6000114.1
414S29.4Very low31.9Very low114 Ų114131.9 Ų131.980%0.79773%0.726SS**  trans-157.391164.2-86.40000113.1
415S27.3Very low31Very low122 Ų122132.3 Ų132.385%0.85373%0.73SS**  trans-153.386.1168.4-86.20000113.5
416Q28.7Very low30.8Very low150 Ų150131.6 Ų131.670%0.70174%0.737SS**  trans30.1104.6151.3-59.5178.72600118.6
417D25.3Very low30.2Very low163 Ų163137.3 Ų137.387%0.87276%0.764SS**  trans-85.8142.4139.5-165-4.2000109.1
418K28.9Very low29.5Very low157 Ų157141.6 Ų141.668%0.68378%0.783SS**  trans-141.890.2-173.3-97179.3171.5163.60111
419S23.2Very low29Very low118 Ų118139.4 Ų139.483%0.82578%0.781SS**PPolyproline II helixtrans-88.4159.7167.358.20000111.9
420K26Very low28.5Very low197 Ų197139.3 Ų139.386%0.85778%0.781SS**PPolyproline II helixtrans-93.9154.4-163.8-69.9176.8-179.4173.30113.5
421P32.1Very low27.8Very low132 Ų132139.1 Ų139.186%0.85779%0.788SS**PPolyproline II helixtrans-81.4150.1174.733.9-35.7000113.2
422S22Very low27.6Very low113 Ų113138.4 Ų138.479%0.7979%0.788SS**  trans-147.4137.3159.854.90000108.9
423P40.8Very low27.4Very low120 Ų120144 Ų14478%0.77980%0.799SS**  trans-89.4147-172.135.3-34.8000113.2
424D25.7Very low27Very low174 Ų174140.4 Ų140.493%0.9380%0.798SS**  trans-167.9166.8132.1-101.4-28.3000110.6
425A24.7Very low27.5Very low90 Ų90140.1 Ų140.174%0.74479%0.793SS**  trans-127.1173.2-174.200000110
426P34.9Very low27.5Very low119 Ų119140.9 Ų140.977%0.77379%0.793SS**  cis-137.8-161.614.443.9-23.9000115.9
427Q29.8Very low27.5Very low183 Ų183139.3 Ų139.386%0.85580%0.798SS**  trans-62.4156.1-176.1-52.4153.6-70.500115.1
428E24.9Very low27.6Very low195 Ų195140.6 Ų140.691%0.91180%0.799SS**  -158.9-178.1124.4-118.7173.5-151.500113.6
429Q26.2Very low27.8Very low156 Ų156139.1 Ų139.173%0.72981%0.805SS**  trans-106.8174.7-147.9-55.2171.3-16.100116.5
430N23.6Very low28.3Very low131 Ų131138.5 Ų138.570%0.70180%0.801SS**  trans75.9150.6152.7-56.9-36000117.5
431T22Very low28.9Very low114 Ų114135.6 Ų135.670%0.69980%0.8SS**  cis-167.4156.9-11.420.70000109.5
432S23.9Very low29.2Very low106 Ų106135.2 Ų135.274%0.74180%0.795SS**  trans62.4159.6156.963.30000119.9
433E25.1Very low30.2Very low176 Ų176133.1 Ų133.182%0.82278%0.781SS**  cis-163.6103.5-30-104.4-174.816200109.3
434S22.6Very low30.5Very low119 Ų119130.9 Ų130.983%0.83276%0.762SS**  trans60169.215979.10000120.2
435P40.8Very low31.8Very low107 Ų107126.4 Ų126.470%0.69574%0.738SS**  cis-120.7-154.7-34.637.4-20.9000111.2
436T26.8Very low33.7Very low138 Ų138125.6 Ų125.685%0.84773%0.727SS**  trans64.691.6165.6400000119.1
437S27.6Very low35.3Very low118 Ų118120.3 Ų120.383%0.82569%0.693SS**  trans-153.9128.3132.959.40000109.4
438E27.6Very low37.4Very low189 Ų189112.6 Ų112.688%0.88366%0.657SS**  trans-77.6139.9177.5-61.5172.5143.800111.1S440E438-S440 PolarHBondContact O-N 2.99Å
439P34.4Very low39.9Very low126 Ų126106.3 Ų106.382%0.81863%0.63SS**  trans-87101.2171.232.9-30000110.4
440S33.8Very low42.8Very low105 Ų105102.5 Ų102.573%0.73461%0.614SS**  trans-79.8153.7171.656.40000112.3E438E438-S440 PolarHBondContact O-N 2.99Å
441V38.6Very low45.8Very low136 Ų13696.4 Ų96.482%0.82458%0.581SS**SBendtrans7375.3169.2-162.10000116.7
442T36.9Very low49Very low125 Ų12591 Ų9177%0.76755%0.548SS*.  trans-156.226.2152.720.60000112.5
443S44.8Very low52.1Low69 Ų6987.6 Ų87.648%0.48352%0.523SS..Hα-helixtrans-63.8-51.1-165.6-172.20000114.5S446 A447S443-S446 WeakPolarHBondContact O-CA 3.38Å; S443-S446 VanDerWaalsContact O-CB 3.3Å; S443-S446 WeakPolarHBondContact O-CB 3.18Å; S443-S446 PolarHBondContact O-N 3.33Å; S443-S446 PolarHBondContact O-OG 3.33Å; S443-A447 PolarHBondContact O-N 3.06Å
444D45.1Very low55.3Low72 Ų7279.8 Ų79.839%0.38549%0.487SS..Hα-helixtrans-73.8-44.8-155.4-46.8-40.7000112.6A357 S446 A447 H448A357-D444 VanDerWaalsContact CB-OD1 3.31Å; A357-D444 WeakPolarHBondContact CB-OD1 3.29Å; D444-S446 PolarHBondContact O-N 3.12Å; D444-S446 VanDerWaalsContact O-N 3.17Å; D444-A447 PolarHBondContact O-N 3.45Å; D444-A447 VanDerWaalsContact O-N 3.16Å; D444-H448 PolarHBondContact O-N 3.49Å
445N54.8Low58.6Low81 Ų8174.2 Ų74.243%0.43345%0.447SS..Hα-helixtrans-55.3-32.5169.4-76.24.8000112N449N445-N449 VanDerWaalsContact O-CB 3.24Å; N445-N449 WeakPolarHBondContact O-CB 3.22Å; N445-N449 PolarHBondContact O-N 3.21Å; N445-N449 PolarHBondContact O-ND2 2.94Å; N445-N449 PolarHBondContact O-OD1 3.04Å
446S64.1Low61.1Low72 Ų7269.2 Ų69.250%0.50342%0.415SS..Hα-helixtrans-69.8-35.2-178.983.30000112.6S443 D444 L450S443-S446 WeakPolarHBondContact O-CA 3.38Å; S443-S446 VanDerWaalsContact O-CB 3.3Å; S443-S446 WeakPolarHBondContact O-CB 3.18Å; S443-S446 PolarHBondContact O-N 3.33Å; S443-S446 PolarHBondContact O-OG 3.33Å; D444-S446 PolarHBondContact O-N 3.12Å; D444-S446 VanDerWaalsContact O-N 3.17Å; S446-L450 WeakPolarHBondContact O-CB 3.18Å; S446-L450 PolarHBondContact O-N 2.84Å
447A68.3Low64.1Low8 Ų866.3 Ų66.37%0.06639%0.392CS..Hα-helixtrans-79.3-36.1-179.600000112.6A360 S443 D444 L450 M451A360-A447 VanDerWaalsContact CA-CB 3.5Å; A360-A447 HydrophobicContact CB-CB 3.48Å; A360-A447 VanDerWaalsContact CB-CB 3.48Å; S443-A447 PolarHBondContact O-N 3.06Å; D444-A447 PolarHBondContact O-N 3.45Å; D444-A447 VanDerWaalsContact O-N 3.16Å; A447-L450 WeakPolarHBondContact O-CB 3.48Å; A447-L450 PolarHBondContact O-N 2.72Å; A447-M451 PolarHBondContact O-N 3.29Å; A447-M451 VanDerWaalsContact O-N 3.11Å
448H72.9Confident67Low21 Ų2166 Ų6610%0.09738%0.377CS..Hα-helixtrans-60.6-47.5168.2-174.4-78.7000110.7I399 P402 D444 L450 M451 V452I399-H448 PolarHBondContact O-CE1 2.63Å; I399-H448 VanDerWaalsContact O-CE1 3.26Å; I399-H448 PolarHBondContact O-NE2 2.87Å; P402-H448 WeakPolarHBondContact CB-NE2 3.42Å; P402-H448 WeakPolarHBondContact CD-NE2 3.29Å; D444-H448 PolarHBondContact O-N 3.49Å; H448-L450 VanDerWaalsContact C-N 3.26Å; H448-L450 PolarHBondContact O-N 3.28Å; H448-M451 PolarHBondContact O-N 3.14Å; H448-M451 VanDerWaalsContact O-N 3.11Å; H448-V452 VanDerWaalsContact CE1-CG2 3.5Å; H448-V452 WeakPolarHBondContact CE1-CG2 3.41Å; H448-V452 PolarHBondContact O-N 3.15Å
449N78.6Confident70.2Confident64 Ų6457 Ų5734%0.34234%0.335SS..Hα-helixtrans-63.6-31.5177.9-66.8-1.1000112.1N445 T453 Q508N445-N449 VanDerWaalsContact O-CB 3.24Å; N445-N449 WeakPolarHBondContact O-CB 3.22Å; N445-N449 PolarHBondContact O-N 3.21Å; N445-N449 PolarHBondContact O-ND2 2.94Å; N445-N449 PolarHBondContact O-OD1 3.04Å; N449-T453 WeakPolarHBondContact O-CB 3.33Å; N449-T453 PolarHBondContact O-N 3.27Å; N449-T453 PolarHBondContact O-OG1 3.36Å; N449-Q508 VanDerWaalsContact CG-OE1 3.32Å; N449-Q508 PolarHBondContact O-NE2 3.44Å; N449-Q508 PolarHBondContact OD1-OE1 3.12Å
450L86.5Confident73Confident75 Ų7555.4 Ų55.439%0.39332%0.316SS..Hα-helixtrans-62.3-46.8171.8178.163.9000111.3Q364 S446 A447 H448 T453 H454Q364-L450 HydrophobicContact CB-CD2 4.45Å; Q364-L450 HydrophobicContact CG-CD2 4.36Å; S446-L450 WeakPolarHBondContact O-CB 3.18Å; S446-L450 PolarHBondContact O-N 2.84Å; A447-L450 WeakPolarHBondContact O-CB 3.48Å; A447-L450 PolarHBondContact O-N 2.72Å; H448-L450 VanDerWaalsContact C-N 3.26Å; H448-L450 PolarHBondContact O-N 3.28Å; L450-T453 PolarHBondContact O-N 2.96Å; L450-H454 WeakPolarHBondContact O-CB 3.48Å; L450-H454 PolarHBondContact O-N 3.3Å
451M87.6Confident75.9Confident4 Ų450.5 Ų50.52%0.0228%0.282CS..Hα-helixtrans-62.7-43.5177.4-65.1-137.971.500112.8L352 A363 L366 M372 I399 A447 H448 T453 H454 L455L352-M451 HydrophobicContact CD2-CE 3.72Å; L352-M451 HydrophobicContact CD2-SD 3.42Å; L352-M451 WeakPolarHBondContact CD2-SD 3.46Å; A363-M451 HydrophobicContact CB-CG 3.64Å; A363-M451 HydrophobicContact CB-SD 3.5Å; A363-M451 WeakPolarHBondContact CB-SD 3.3Å; L366-M451 HydrophobicContact CB-CE 4.44Å; M372-M451 HydrophobicContact CG-CE 4.42Å; I399-M451 HydrophobicContact CD1-CE 3.8Å; I399-M451 HydrophobicContact CG1-CB 4.36Å; I399-M451 HydrophobicContact CG1-CE 4.06Å; I399-M451 HydrophobicContact CG1-SD 4.21Å; I399-M451 HydrophobicContact CG2-CB 3.85Å; A447-M451 PolarHBondContact O-N 3.29Å; A447-M451 VanDerWaalsContact O-N 3.11Å; H448-M451 PolarHBondContact O-N 3.14Å; H448-M451 VanDerWaalsContact O-N 3.11Å; M451-T453 VanDerWaalsContact C-N 3.34Å; M451-T453 PolarHBondContact O-N 3.49Å; M451-H454 PolarHBondContact O-N 2.81Å; M451-L455 WeakPolarHBondContact O-CB 3.37Å; M451-L455 PolarHBondContact O-N 3.36Å
452V88.4Confident78.6Confident0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-60.9-44.8175.1175.90000110.5I399 H448 H454 L455 F456 Q508 I509 L512I399-V452 HydrophobicContact CG2-CG2 4.24Å; I399-V452 VanDerWaalsContact O-CG2 3.26Å; I399-V452 WeakPolarHBondContact O-CG2 3.45Å; H448-V452 VanDerWaalsContact CE1-CG2 3.5Å; H448-V452 WeakPolarHBondContact CE1-CG2 3.41Å; H448-V452 PolarHBondContact O-N 3.15Å; V452-H454 PolarHBondContact O-N 2.82Å; V452-L455 PolarHBondContact O-N 3.43Å; V452-F456 HydrophobicContact CG1-CD2 4.48Å; V452-F456 VanDerWaalsContact O-CD2 3.31Å; V452-F456 WeakPolarHBondContact O-CD2 3.35Å; V452-F456 PolarHBondContact O-N 3.12Å; V452-Q508 HydrophobicContact CG1-CG 4.38Å; V452-I509 HydrophobicContact CG1-CG1 3.99Å; V452-L512 HydrophobicContact CG1-CD1 3.84Å
453T89.5Confident81.4Confident35 Ų3539.2 Ų39.222%0.21521%0.211CC..Hα-helixtrans-60.6-48.1176.8-54.60000111.1N449 L450 M451 L455 F456 Q457 Q508 L512N449-T453 WeakPolarHBondContact O-CB 3.33Å; N449-T453 PolarHBondContact O-N 3.27Å; N449-T453 PolarHBondContact O-OG1 3.36Å; L450-T453 PolarHBondContact O-N 2.96Å; M451-T453 VanDerWaalsContact C-N 3.34Å; M451-T453 PolarHBondContact O-N 3.49Å; T453-L455 PolarHBondContact O-N 2.96Å; T453-F456 PolarHBondContact O-N 3.39Å; T453-Q457 HydrophobicContact CG2-CG 4.26Å; T453-Q457 VanDerWaalsContact CG2-OE1 3.3Å; T453-Q457 WeakPolarHBondContact O-CB 3.41Å; T453-Q457 PolarHBondContact O-N 2.73Å; T453-Q508 PolarHBondContact OG1-NE2 2.9Å; T453-L512 HydrophobicContact CG2-CD2 4.14Å
454H90.9Very high83.8Confident12 Ų1238 Ų386%0.05620%0.196CC..Hα-helixtrans-59.7-44179.4-175.4-66.1000112.2C367 N370 L450 M451 V452 F456 H458 C459C367-H454 PolarHBondContact O-NE2 2.92Å; C367-H454 VanDerWaalsContact O-NE2 3.17Å; N370-H454 PolarHBondContact OD1-CE1 3.41Å; N370-H454 PolarHBondContact OD1-NE2 3.06Å; L450-H454 WeakPolarHBondContact O-CB 3.48Å; L450-H454 PolarHBondContact O-N 3.3Å; M451-H454 PolarHBondContact O-N 2.81Å; V452-H454 PolarHBondContact O-N 2.82Å; H454-F456 VanDerWaalsContact C-N 3.3Å; H454-F456 PolarHBondContact O-N 3.12Å; H454-H458 AromaticContact CD2-CD2 3.73Å; H454-H458 WeakPolarHBondContact O-CA 3.43Å; H454-H458 WeakPolarHBondContact O-CB 3.32Å; H454-H458 PolarHBondContact O-N 3.11Å; H454-C459 PolarHBondContact CE1-SG 2.85Å; H454-C459 PolarHBondContact ND1-SG 2.64Å; H454-C459 PolarHBondContact O-N 2.95Å
455L93.1Very high86.2Confident1 Ų134.6 Ų34.61%0.00518%0.178CC..Hα-helixtrans-63-33.8-178.3-177.661.3000113.1L376 V396 I399 V400 M451 V452 T453 C459 L461L376-L455 HydrophobicContact CD1-CD1 4.36Å; V396-L455 HydrophobicContact CG1-CD2 4.24Å; V396-L455 HydrophobicContact CG2-CD1 4.29Å; V396-L455 HydrophobicContact CG2-CD2 4.48Å; I399-L455 HydrophobicContact CB-CD2 4.1Å; I399-L455 HydrophobicContact CD1-CD2 4.49Å; I399-L455 HydrophobicContact CG2-CB 4.21Å; I399-L455 HydrophobicContact CG2-CD2 3.69Å; V400-L455 HydrophobicContact CG2-CD2 3.82Å; M451-L455 WeakPolarHBondContact O-CB 3.37Å; M451-L455 PolarHBondContact O-N 3.36Å; V452-L455 PolarHBondContact O-N 3.43Å; T453-L455 PolarHBondContact O-N 2.96Å; L455-C459 HydrophobicContact CD1-CB 4.21Å; L455-C459 WeakPolarHBondContact O-CB 3.46Å; L455-L461 HydrophobicContact CD1-CB 4.32Å; L455-L461 HydrophobicContact CD1-CD2 4.09Å; L455-L461 HydrophobicContact CD2-CD2 3.95Å; L455-L461 HydrophobicContact CG-CB 4.34Å; L455-L461 HydrophobicContact CG-CD2 3.84Å; L455-L461 WeakPolarHBondContact O-CB 3.46Å; L455-L461 PolarHBondContact O-N 2.97Å
456F92.3Very high88.2Confident3 Ų331 Ų311%0.01316%0.158CC..Hα-helixtrans-92.6-42.1-179.8-74-108.6000112.7V400 V452 T453 H454 I462 V496 I509 L512 I513V400-F456 HydrophobicContact CG2-CE2 4.37Å; V452-F456 HydrophobicContact CG1-CD2 4.48Å; V452-F456 VanDerWaalsContact O-CD2 3.31Å; V452-F456 WeakPolarHBondContact O-CD2 3.35Å; V452-F456 PolarHBondContact O-N 3.12Å; T453-F456 PolarHBondContact O-N 3.39Å; H454-F456 VanDerWaalsContact C-N 3.3Å; H454-F456 PolarHBondContact O-N 3.12Å; F456-I462 HydrophobicContact CD1-CD1 4.38Å; F456-I462 HydrophobicContact CD1-CG1 3.91Å; F456-I462 HydrophobicContact CE1-CD1 3.91Å; F456-I462 HydrophobicContact CE1-CG1 3.96Å; F456-V496 HydrophobicContact CE1-CG1 4.05Å; F456-V496 HydrophobicContact CZ-CG1 3.9Å; F456-V496 HydrophobicContact CZ-CG2 4.26Å; F456-I509 HydrophobicContact CE1-CG2 3.85Å; F456-I509 HydrophobicContact CZ-CG1 4.43Å; F456-I509 HydrophobicContact CZ-CG2 3.76Å; F456-L512 HydrophobicContact CB-CB 4.2Å; F456-L512 HydrophobicContact CB-CD1 4.26Å; F456-L512 HydrophobicContact CG-CD1 4.47Å; F456-I513 HydrophobicContact CD1-CG1 4.38Å; F456-I513 HydrophobicContact CE1-CD1 4.37Å; F456-I513 HydrophobicContact CE1-CG1 4.25Å
457Q90.2Very high89.6Confident77 Ų7731.6 Ų31.636%0.3615%0.153SC..Hα-helixtrans-87.7-32.4-176.6-69.5-177-7.100114.7T453 H460 L512 E515T453-Q457 HydrophobicContact CG2-CG 4.26Å; T453-Q457 VanDerWaalsContact CG2-OE1 3.3Å; T453-Q457 WeakPolarHBondContact O-CB 3.41Å; T453-Q457 PolarHBondContact O-N 2.73Å; Q457-H460 PolarHBondContact O-CE1 2.92Å; Q457-H460 PolarHBondContact O-ND1 3.16Å; Q457-L512 HydrophobicContact CG-CD2 3.94Å; Q457-E515 PolarHBondContact NE2-OE2 3.49Å
458H89.2Confident90.9Very high111 Ų11131.5 Ų31.551%0.51415%0.153SC..THydrogen-bonded Turntrans-104.7-46.3-177.3-64.3-40.3000112.4H454 H460H454-H458 AromaticContact CD2-CD2 3.73Å; H454-H458 WeakPolarHBondContact O-CA 3.43Å; H454-H458 WeakPolarHBondContact O-CB 3.32Å; H454-H458 PolarHBondContact O-N 3.11Å; H458-H460 PolarHBondContact O-N 3.05Å
459C93.9Very high91.9Very high0 Ų031.5 Ų31.50%015%0.152CC..SBendtrans-76.9-7.1176-50.10000113.9D373 L376 H454 L455 L461 R464D373-C459 HydrophobicContact CB-CB 4.26Å; D373-C459 WeakPolarHBondContact OD1-CA 3.29Å; L376-C459 HydrophobicContact CD1-CB 3.88Å; H454-C459 PolarHBondContact CE1-SG 2.85Å; H454-C459 PolarHBondContact ND1-SG 2.64Å; H454-C459 PolarHBondContact O-N 2.95Å; L455-C459 HydrophobicContact CD1-CB 4.21Å; L455-C459 WeakPolarHBondContact O-CB 3.46Å; C459-L461 VanDerWaalsContact C-N 3.29Å; C459-L461 PolarHBondContact O-N 2.95Å; C459-R464 WeakPolarHBondContact O-CD 3.38Å; C459-R464 PolarHBondContact O-NE 3.38Å
460H93.8Very high92.7Very high93 Ų9333.2 Ų33.243%0.43116%0.158SC..  trans49.542.5179.4-59.1-44.2000114.3Q457 H458 I462 Q463 R464Q457-H460 PolarHBondContact O-CE1 2.92Å; Q457-H460 PolarHBondContact O-ND1 3.16Å; H458-H460 PolarHBondContact O-N 3.05Å; H460-I462 VanDerWaalsContact C-N 3.34Å; H460-I462 PolarHBondContact O-N 3.05Å; H460-Q463 HydrophobicContact CB-CB 4.21Å; H460-Q463 HydrophobicContact CB-CG 4.36Å; H460-Q463 WeakPolarHBondContact O-CB 3.33Å; H460-Q463 PolarHBondContact O-N 2.81Å; H460-Q463 PolarHBondContact O-OE1 2.71Å; H460-R464 WeakPolarHBondContact O-CG 3.4Å; H460-R464 PolarHBondContact O-N 3.45Å
461L95.3Very high93Very high2 Ų233.6 Ų33.61%0.0116%0.157CC..Hα-helixtrans-54.7-43.2-170.717963.1000113.7L376 V396 L455 C459 R464 I465 I492 V496L376-L461 HydrophobicContact CD1-CD1 4.29Å; L376-L461 HydrophobicContact CD2-CD1 4.33Å; V396-L461 HydrophobicContact CG1-CD2 4.04Å; L455-L461 HydrophobicContact CD1-CB 4.32Å; L455-L461 HydrophobicContact CD1-CD2 4.09Å; L455-L461 HydrophobicContact CD2-CD2 3.95Å; L455-L461 HydrophobicContact CG-CB 4.34Å; L455-L461 HydrophobicContact CG-CD2 3.84Å; L455-L461 WeakPolarHBondContact O-CB 3.46Å; L455-L461 PolarHBondContact O-N 2.97Å; C459-L461 VanDerWaalsContact C-N 3.29Å; C459-L461 PolarHBondContact O-N 2.95Å; L461-R464 PolarHBondContact O-N 3.48Å; L461-I465 HydrophobicContact CD1-CD1 3.99Å; L461-I465 HydrophobicContact CD1-CG1 4.26Å; L461-I465 HydrophobicContact CG-CD1 3.87Å; L461-I465 WeakPolarHBondContact O-CD1 3.31Å; L461-I465 VanDerWaalsContact O-CG1 3.23Å; L461-I465 WeakPolarHBondContact O-CG1 3.26Å; L461-I465 PolarHBondContact O-N 3.22Å; L461-I492 HydrophobicContact CD1-CG2 4.19Å; L461-V496 HydrophobicContact CD2-CG2 4.01Å
462I94.3Very high93.3Very high0 Ų033.4 Ų33.40%016%0.157CC..Hα-helixtrans-66.2-43.2-178.7-61.7-58.9000111.2F456 H460 I465 L466 V496 L516 W524F456-I462 HydrophobicContact CD1-CD1 4.38Å; F456-I462 HydrophobicContact CD1-CG1 3.91Å; F456-I462 HydrophobicContact CE1-CD1 3.91Å; F456-I462 HydrophobicContact CE1-CG1 3.96Å; H460-I462 VanDerWaalsContact C-N 3.34Å; H460-I462 PolarHBondContact O-N 3.05Å; I462-I465 PolarHBondContact O-N 3.08Å; I462-L466 HydrophobicContact CG2-CD1 4.11Å; I462-L466 WeakPolarHBondContact O-CG 3.3Å; I462-L466 PolarHBondContact O-N 3.21Å; I462-L466 VanDerWaalsContact O-N 3.11Å; I462-V496 HydrophobicContact CD1-CG1 4.09Å; I462-L516 HydrophobicContact CB-CD1 3.94Å; I462-L516 HydrophobicContact CG1-CD1 4.05Å; I462-L516 HydrophobicContact CG2-CD1 3.81Å; I462-W524 HydrophobicContact CD1-CD2 4.05Å; I462-W524 HydrophobicContact CD1-CE3 4.07Å; I462-W524 HydrophobicContact CD1-CH2 3.88Å; I462-W524 HydrophobicContact CD1-CZ2 3.86Å; I462-W524 HydrophobicContact CD1-CZ3 3.98Å; I462-W524 HydrophobicContact CG2-CB 4.05Å; I462-W524 HydrophobicContact CG2-CD2 3.89Å; I462-W524 HydrophobicContact CG2-CE3 3.8Å; I462-W524 HydrophobicContact CG2-CG 4.01Å
463Q95.1Very high93.5Very high24 Ų2436.6 Ų36.611%0.11217%0.174CC..Hα-helixtrans-61-50.1176.7-59.586-33.100110.2H460 I465 L466 E467 Y520H460-Q463 HydrophobicContact CB-CB 4.21Å; H460-Q463 HydrophobicContact CB-CG 4.36Å; H460-Q463 WeakPolarHBondContact O-CB 3.33Å; H460-Q463 PolarHBondContact O-N 2.81Å; H460-Q463 PolarHBondContact O-OE1 2.71Å; Q463-I465 VanDerWaalsContact C-N 3.32Å; Q463-I465 PolarHBondContact O-N 2.8Å; Q463-L466 PolarHBondContact O-N 2.85Å; Q463-E467 WeakPolarHBondContact O-CB 3.3Å; Q463-E467 VanDerWaalsContact O-CG 3.31Å; Q463-E467 WeakPolarHBondContact O-CG 3.45Å; Q463-E467 PolarHBondContact O-N 3.26Å; Q463-Y520 HydrophobicContact CB-CD1 3.98Å; Q463-Y520 HydrophobicContact CB-CE1 3.67Å; Q463-Y520 HydrophobicContact CG-CD1 3.56Å; Q463-Y520 HydrophobicContact CG-CE1 3.57Å; Q463-Y520 HydrophobicContact CG-CG 4.05Å
464R95.9Very high93.8Very high42 Ų4240.6 Ų40.616%0.15819%0.188CC..Hα-helixtrans-57.8-39.6176.9-70.9178.2178.1-92.78.1112.7D373 D377 F380 C459 H460 L461 A468D373-R464 IonicContact OD1-CZ 3.28Å; D373-R464 IonicContact OD1-NE 3.99Å; D373-R464 IonicContact OD1-NH2 2.84Å; D373-R464 PolarHBondContact OD1-NH2 3.37Å; D373-R464 IonicContact OD2-NH2 2.81Å; D377-R464 IonicContact OD1-CZ 3.25Å; D377-R464 IonicContact OD1-NH1 3.55Å; D377-R464 PolarHBondContact OD1-NH1 2.83Å; D377-R464 IonicContact OD1-NH2 3.96Å; D377-R464 PolarHBondContact OD1-NH2 3.42Å; F380-R464 HydrophobicContact CE2-CB 3.89Å; F380-R464 HydrophobicContact CE2-CG 4.34Å; F380-R464 HydrophobicContact CZ-CB 4.15Å; C459-R464 WeakPolarHBondContact O-CD 3.38Å; C459-R464 PolarHBondContact O-NE 3.38Å; H460-R464 WeakPolarHBondContact O-CG 3.4Å; H460-R464 PolarHBondContact O-N 3.45Å; L461-R464 PolarHBondContact O-N 3.48Å; R464-A468 WeakPolarHBondContact O-CB 3.44Å; R464-A468 PolarHBondContact O-N 2.91Å
465I96Very high93.8Very high1 Ų141.7 Ų41.71%0.00519%0.194CC..Hα-helixtrans-65-47.1176.8-68.5161.1000111.4L461 I462 Q463 W469 L489 I492 A493 W524 F527L461-I465 HydrophobicContact CD1-CD1 3.99Å; L461-I465 HydrophobicContact CD1-CG1 4.26Å; L461-I465 HydrophobicContact CG-CD1 3.87Å; L461-I465 WeakPolarHBondContact O-CD1 3.31Å; L461-I465 VanDerWaalsContact O-CG1 3.23Å; L461-I465 WeakPolarHBondContact O-CG1 3.26Å; L461-I465 PolarHBondContact O-N 3.22Å; I462-I465 PolarHBondContact O-N 3.08Å; Q463-I465 VanDerWaalsContact C-N 3.32Å; Q463-I465 PolarHBondContact O-N 2.8Å; I465-W469 PolarHBondContact O-N 2.94Å; I465-W469 VanDerWaalsContact O-N 3.14Å; I465-L489 HydrophobicContact CB-CD1 4.43Å; I465-L489 HydrophobicContact CG1-CD1 3.92Å; I465-L489 HydrophobicContact CG2-CG 4.45Å; I465-I492 HydrophobicContact CD1-CG2 3.94Å; I465-I492 HydrophobicContact CG1-CG2 4.44Å; I465-A493 HydrophobicContact CG2-CB 4.3Å; I465-W524 HydrophobicContact CD1-CZ3 4.39Å; I465-W524 HydrophobicContact CG2-CZ3 4.06Å; I465-F527 HydrophobicContact CG2-CE1 4.19Å; I465-F527 HydrophobicContact CG2-CZ 4.29Å
466L95.6Very high93.7Very high5 Ų545.4 Ų45.43%0.02621%0.211CC..Hα-helixtrans-66.5-45.9-179-70.1169.2000111.9I462 Q463 W469 E470 Y520 R523 W524 F527I462-L466 HydrophobicContact CG2-CD1 4.11Å; I462-L466 WeakPolarHBondContact O-CG 3.3Å; I462-L466 PolarHBondContact O-N 3.21Å; I462-L466 VanDerWaalsContact O-N 3.11Å; Q463-L466 PolarHBondContact O-N 2.85Å; L466-W469 PolarHBondContact O-N 2.94Å; L466-E470 WeakPolarHBondContact O-CG 3.12Å; L466-E470 PolarHBondContact O-N 2.81Å; L466-Y520 HydrophobicContact CD1-CD1 4.17Å; L466-R523 HydrophobicContact CD1-CB 3.92Å; L466-R523 HydrophobicContact CD2-CB 4.37Å; L466-W524 HydrophobicContact CD1-CB 4.25Å; L466-W524 HydrophobicContact CD2-CE3 4.38Å; L466-W524 HydrophobicContact CG-CE3 4.41Å; L466-F527 HydrophobicContact CD2-CB 3.67Å; L466-F527 HydrophobicContact CD2-CD1 4.24Å; L466-F527 HydrophobicContact CD2-CD2 4.3Å; L466-F527 HydrophobicContact CD2-CG 3.82Å
467E95.3Very high93.7Very high85 Ų8550 Ų5040%0.39724%0.244SC..Hα-helixtrans-64.6-42.1179.9-71.7167.5-164.500111.9Q463 W469 E470 E471 Y520Q463-E467 WeakPolarHBondContact O-CB 3.3Å; Q463-E467 VanDerWaalsContact O-CG 3.31Å; Q463-E467 WeakPolarHBondContact O-CG 3.45Å; Q463-E467 PolarHBondContact O-N 3.26Å; E467-W469 VanDerWaalsContact C-N 3.33Å; E467-W469 PolarHBondContact O-N 3.31Å; E467-E470 PolarHBondContact O-N 2.95Å; E467-E471 WeakPolarHBondContact O-CB 3.35Å; E467-E471 PolarHBondContact O-N 3.03Å; E467-Y520 WeakPolarHBondContact OE1-CE1 3.12Å; E467-Y520 PolarHBondContact OE1-OH 3.1Å
468A95.1Very high93.9Very high6 Ų652.1 Ų52.15%0.0525%0.254CS..Hα-helixtrans-66.8-32.6176.100000113F380 R464 N472 Y485 L489F380-A468 HydrophobicContact CD1-CB 3.96Å; F380-A468 HydrophobicContact CE1-CB 3.39Å; F380-A468 HydrophobicContact CZ-CB 4.16Å; R464-A468 WeakPolarHBondContact O-CB 3.44Å; R464-A468 PolarHBondContact O-N 2.91Å; A468-N472 WeakPolarHBondContact O-CB 3.32Å; A468-N472 PolarHBondContact O-N 2.66Å; A468-Y485 HydrophobicContact CB-CE2 4.15Å; A468-L489 HydrophobicContact CB-CD2 3.83Å
469W94.3Very high93.8Very high22 Ų2250 Ų508%0.08326%0.262CS..Hα-helixtrans-67.3-48.9171.7-107.295.6000112I465 L466 E467 E471 N472 D473 M486 F527 T531 T535I465-W469 PolarHBondContact O-N 2.94Å; I465-W469 VanDerWaalsContact O-N 3.14Å; L466-W469 PolarHBondContact O-N 2.94Å; E467-W469 VanDerWaalsContact C-N 3.33Å; E467-W469 PolarHBondContact O-N 3.31Å; W469-E471 PolarHBondContact O-N 3.39Å; W469-N472 PolarHBondContact O-N 3.25Å; W469-D473 WeakPolarHBondContact CZ3-OD2 3.19Å; W469-D473 WeakPolarHBondContact O-CB 3.37Å; W469-D473 PolarHBondContact O-N 2.85Å; W469-M486 HydrophobicContact CD2-CE 3.52Å; W469-M486 VanDerWaalsContact CE2-CE 3.44Å; W469-M486 HydrophobicContact CE3-CE 4.07Å; W469-M486 HydrophobicContact CG-CE 3.78Å; W469-M486 HydrophobicContact CH2-CE 4.47Å; W469-M486 HydrophobicContact CZ2-CE 3.97Å; W469-F527 HydrophobicContact CB-CE2 4.39Å; W469-F527 AromaticContact CD1-CE2 3.53Å; W469-F527 AromaticContact CD1-CZ 3.64Å; W469-F527 AromaticContact CD2-CE2 3.77Å; W469-F527 HydrophobicContact CD2-CE2 3.77Å; W469-F527 HydrophobicContact CD2-CZ 4.49Å; W469-F527 AromaticContact CE2-CE2 3.72Å; W469-F527 AromaticContact CG-CE2 3.66Å; W469-F527 HydrophobicContact CG-CE2 3.66Å; W469-F527 HydrophobicContact CG-CZ 4.23Å; W469-F527 HydrophobicContact CZ2-CE2 4.44Å; W469-F527 AromaticContact NE1-CE2 3.57Å; W469-F527 AromaticContact NE1-CZ 3.53Å; W469-T531 HydrophobicContact CD2-CG2 4.26Å; W469-T531 HydrophobicContact CE3-CG2 3.77Å; W469-T531 HydrophobicContact CH2-CG2 3.76Å; W469-T531 HydrophobicContact CZ2-CG2 4.26Å; W469-T531 HydrophobicContact CZ3-CG2 3.5Å; W469-T531 VanDerWaalsContact CZ3-CG2 3.5Å; W469-T535 HydrophobicContact CH2-CG2 4.39Å; W469-T535 WeakPolarHBondContact CH2-OG1 3.38Å; W469-T535 HydrophobicContact CZ2-CG2 4.24Å
470E94.4Very high93.5Very high100 Ų10051.7 Ų51.747%0.46728%0.279SS..Hα-helixtrans-64.4-37.6179.5-72.8171.1-16700112.3L466 E467 K474 R523L466-E470 WeakPolarHBondContact O-CG 3.12Å; L466-E470 PolarHBondContact O-N 2.81Å; E467-E470 PolarHBondContact O-N 2.95Å; E470-K474 VanDerWaalsContact O-CB 3.26Å; E470-K474 WeakPolarHBondContact O-CB 3.45Å; E470-K474 PolarHBondContact O-N 2.68Å; E470-R523 IonicContact OE1-CZ 2.9Å; E470-R523 VanDerWaalsContact OE1-CZ 3.28Å; E470-R523 IonicContact OE1-NE 3.79Å; E470-R523 PolarHBondContact OE1-NE 3.25Å; E470-R523 IonicContact OE1-NH2 3.78Å; E470-R523 PolarHBondContact OE1-NH2 2.89Å; E470-R523 IonicContact OE2-CZ 2.89Å; E470-R523 IonicContact OE2-NE 2.64Å; E470-R523 IonicContact OE2-NH2 2.74Å; E470-R523 PolarHBondContact OE2-NH2 3.01Å
471E93.9Very high93.1Very high82 Ų8253.4 Ų53.438%0.38329%0.289SS..Hα-helixtrans-65.2-46172.7-165.2-150.7106.400111.5E467 W469 D473 K474 I475 R483E467-E471 WeakPolarHBondContact O-CB 3.35Å; E467-E471 PolarHBondContact O-N 3.03Å; W469-E471 PolarHBondContact O-N 3.39Å; E471-D473 PolarHBondContact O-N 3.23Å; E471-K474 PolarHBondContact O-N 3.24Å; E471-I475 HydrophobicContact CG-CD1 4.02Å; E471-I475 WeakPolarHBondContact O-CB 3.47Å; E471-I475 VanDerWaalsContact O-CG1 3.28Å; E471-I475 WeakPolarHBondContact O-CG1 3.44Å; E471-I475 PolarHBondContact O-N 2.91Å; E471-I475 VanDerWaalsContact OE1-CD1 3.25Å; E471-I475 WeakPolarHBondContact OE1-CD1 3.31Å; E471-R483 IonicContact OE1-CZ 2.94Å; E471-R483 IonicContact OE1-NE 2.7Å; E471-R483 PolarHBondContact OE1-NE 2.9Å; E471-R483 VanDerWaalsContact OE1-NE 3.16Å; E471-R483 IonicContact OE1-NH2 3.41Å; E471-R483 PolarHBondContact OE1-NH2 3.19Å
472N93.3Very high92.9Very high1 Ų158.3 Ų58.31%0.00531%0.307CS..Hα-helixtrans-61.6-42.8178.2170.683.6000112.3A468 W469 I475 Q476 R482 R483 M486A468-N472 WeakPolarHBondContact O-CB 3.32Å; A468-N472 PolarHBondContact O-N 2.66Å; W469-N472 PolarHBondContact O-N 3.25Å; N472-I475 PolarHBondContact O-N 3.44Å; N472-Q476 PolarHBondContact ND2-NE2 2.75Å; N472-Q476 WeakPolarHBondContact O-CG 3.46Å; N472-Q476 PolarHBondContact O-N 3.1Å; N472-R482 WeakPolarHBondContact OD1-CA 3.49Å; N472-R482 WeakPolarHBondContact OD1-CG 3.27Å; N472-R483 HydrophobicContact CB-CG 4.23Å; N472-R483 PolarHBondContact OD1-N 3.38Å; N472-M486 HydrophobicContact CB-CE 4.07Å; N472-M486 HydrophobicContact CB-CG 4.4Å; N472-M486 HydrophobicContact CB-SD 3.75Å; N472-M486 WeakPolarHBondContact OD1-CG 3.48Å
473D93.1Very high92.8Very high66 Ų6661.2 Ų61.235%0.35332%0.318SS..Hα-helixtrans-72.4-36.6-179.9-75.41.8000111.7W469 E471 Q476 S477W469-D473 WeakPolarHBondContact CZ3-OD2 3.19Å; W469-D473 WeakPolarHBondContact O-CB 3.37Å; W469-D473 PolarHBondContact O-N 2.85Å; E471-D473 PolarHBondContact O-N 3.23Å; D473-Q476 PolarHBondContact O-N 3.17Å; D473-Q476 PolarHBondContact OD1-NE2 3.05Å; D473-Q476 VanDerWaalsContact OD1-NE2 3.1Å; D473-S477 WeakPolarHBondContact O-CB 3.49Å; D473-S477 PolarHBondContact O-N 3.22Å
474K94.1Very high92.6Very high120 Ų12061.2 Ų61.252%0.52233%0.325SS..Hα-helixtrans-57.7-51.1168.1-179.9-173.2167.4-170.30111.1E470 E471 Q476 S477 E478E470-K474 VanDerWaalsContact O-CB 3.26Å; E470-K474 WeakPolarHBondContact O-CB 3.45Å; E470-K474 PolarHBondContact O-N 2.68Å; E471-K474 PolarHBondContact O-N 3.24Å; K474-Q476 VanDerWaalsContact C-N 3.33Å; K474-Q476 PolarHBondContact O-N 3.23Å; K474-S477 WeakPolarHBondContact O-CB 3.41Å; K474-S477 PolarHBondContact O-N 2.97Å; K474-S477 PolarHBondContact O-OG 3.18Å; K474-E478 WeakPolarHBondContact CE-OE1 3.23Å; K474-E478 IonicContact NZ-OE1 2.66Å; K474-E478 WeakPolarHBondContact O-CG 3.45Å; K474-E478 PolarHBondContact O-N 3.41Å
475I91.3Very high92.5Very high35 Ų3559.3 Ų59.318%0.17932%0.318CS..Hα-helixtrans-58.9-43.7-179.8-73.5167.5000111.1E471 N472 S477 E478 G479 G480E471-I475 HydrophobicContact CG-CD1 4.02Å; E471-I475 WeakPolarHBondContact O-CB 3.47Å; E471-I475 VanDerWaalsContact O-CG1 3.28Å; E471-I475 WeakPolarHBondContact O-CG1 3.44Å; E471-I475 PolarHBondContact O-N 2.91Å; E471-I475 VanDerWaalsContact OE1-CD1 3.25Å; E471-I475 WeakPolarHBondContact OE1-CD1 3.31Å; N472-I475 PolarHBondContact O-N 3.44Å; I475-S477 PolarHBondContact O-N 2.87Å; I475-E478 PolarHBondContact O-N 3.25Å; I475-G479 PolarHBondContact O-N 2.99Å; I475-G480 WeakPolarHBondContact O-CA 3.36Å; I475-G480 PolarHBondContact O-N 3.33Å
476Q91Very high92.4Very high79 Ų7959.3 Ų59.337%0.36932%0.317SS..Hα-helixtrans-63.1-39.6174.5-71.2177.4110.800112.2N472 D473 K474 E478 G479 R482N472-Q476 PolarHBondContact ND2-NE2 2.75Å; N472-Q476 WeakPolarHBondContact O-CG 3.46Å; N472-Q476 PolarHBondContact O-N 3.1Å; D473-Q476 PolarHBondContact O-N 3.17Å; D473-Q476 PolarHBondContact OD1-NE2 3.05Å; D473-Q476 VanDerWaalsContact OD1-NE2 3.1Å; K474-Q476 VanDerWaalsContact C-N 3.33Å; K474-Q476 PolarHBondContact O-N 3.23Å; Q476-E478 VanDerWaalsContact C-N 3.28Å; Q476-E478 PolarHBondContact O-N 3.47Å; Q476-G479 PolarHBondContact O-N 3.07Å; Q476-R482 HydrophobicContact CG-CB 4.22Å
477S92.9Very high92.3Very high99 Ų9960.7 Ų60.769%0.69233%0.333SS*.Hα-helixtrans-66.2-28.4176.280.70000113.4D473 K474 I475 G479D473-S477 WeakPolarHBondContact O-CB 3.49Å; D473-S477 PolarHBondContact O-N 3.22Å; K474-S477 WeakPolarHBondContact O-CB 3.41Å; K474-S477 PolarHBondContact O-N 2.97Å; K474-S477 PolarHBondContact O-OG 3.18Å; I475-S477 PolarHBondContact O-N 2.87Å; S477-G479 PolarHBondContact O-N 3.48Å
478E93.9Very high92.3Very high121 Ų12158.1 Ų58.157%0.56532%0.321SS*.THydrogen-bonded Turntrans-81.73.3173.2-68.317617000112.6K474 I475 Q476K474-E478 WeakPolarHBondContact CE-OE1 3.23Å; K474-E478 IonicContact NZ-OE1 2.66Å; K474-E478 WeakPolarHBondContact O-CG 3.45Å; K474-E478 PolarHBondContact O-N 3.41Å; I475-E478 PolarHBondContact O-N 3.25Å; Q476-E478 VanDerWaalsContact C-N 3.28Å; Q476-E478 PolarHBondContact O-N 3.47Å
479G87.8Confident92.4Very high67 Ų6757.9 Ų57.969%0.69132%0.319SS*.THydrogen-bonded Turntrans83.210.6179.800000114.7I475 Q476 S477I475-G479 PolarHBondContact O-N 2.99Å; Q476-G479 PolarHBondContact O-N 3.07Å; S477-G479 PolarHBondContact O-N 3.48Å
480G86.6Confident92.4Very high35 Ų3557.1 Ų57.136%0.36132%0.317SS..PPolyproline II helixtrans-80.5170.9174.800000113.7I475I475-G480 WeakPolarHBondContact O-CA 3.36Å; I475-G480 PolarHBondContact O-N 3.33Å
481M87.1Confident92.3Very high130 Ų13058.9 Ų58.964%0.6432%0.319SS*.PPolyproline II helixtrans-79.6140.6179.5-59.5177-174.200111.5L330 W384L330-M481 HydrophobicContact CD2-SD 4.32Å; W384-M481 HydrophobicContact CH2-CB 4.39Å
482R90.8Very high92.4Very high105 Ų10555 Ų5540%0.39630%0.301SS..PPolyproline II helixtrans-54.8137167.5-173.1178.3-179.2-115.18.6110.2W384 N472 Q476 M486W384-R482 VanDerWaalsContact CH2-O 3.22Å; W384-R482 WeakPolarHBondContact CH2-O 3.47Å; N472-R482 WeakPolarHBondContact OD1-CA 3.49Å; N472-R482 WeakPolarHBondContact OD1-CG 3.27Å; Q476-R482 HydrophobicContact CG-CB 4.22Å; R482-M486 HydrophobicContact CG-CB 4.38Å; R482-M486 HydrophobicContact CG-CG 4.04Å; R482-M486 VanDerWaalsContact CZ-CB 3.44Å
483R90.7Very high92.4Very high60 Ų6055 Ų5523%0.22630%0.301CS..PPolyproline II helixtrans-65.6141.1179.6-57-61.2-153.6163.26110.9E471 N472 Y485 M486E471-R483 IonicContact OE1-CZ 2.94Å; E471-R483 IonicContact OE1-NE 2.7Å; E471-R483 PolarHBondContact OE1-NE 2.9Å; E471-R483 VanDerWaalsContact OE1-NE 3.16Å; E471-R483 IonicContact OE1-NH2 3.41Å; E471-R483 PolarHBondContact OE1-NH2 3.19Å; N472-R483 HydrophobicContact CB-CG 4.23Å; N472-R483 PolarHBondContact OD1-N 3.38Å; R483-Y485 HydrophobicContact CB-CD1 4.42Å; R483-Y485 HydrophobicContact CB-CD2 4.16Å; R483-Y485 HydrophobicContact CB-CE1 4.13Å; R483-Y485 HydrophobicContact CB-CE2 3.81Å; R483-Y485 HydrophobicContact CB-CG 4.42Å; R483-Y485 HydrophobicContact CG-CE1 4.4Å; R483-Y485 HydrophobicContact CG-CE2 4.26Å; R483-Y485 PolarHBondContact O-N 2.98Å; R483-M486 HydrophobicContact CB-CG 4.03Å; R483-M486 WeakPolarHBondContact O-CB 3.35Å; R483-M486 WeakPolarHBondContact O-CG 3.41Å; R483-M486 PolarHBondContact O-N 2.69Å
484G90.9Very high92.4Very high24 Ų2454.2 Ų54.225%0.24730%0.297CS..THydrogen-bonded Turntrans-59.8-41.3-178.900000113.7N383 M486N383-G484 VanDerWaalsContact O-CA 3.27Å; N383-G484 WeakPolarHBondContact O-CA 3.46Å; N383-G484 PolarHBondContact O-N 2.94Å; N383-G484 VanDerWaalsContact O-N 3.17Å; G484-M486 PolarHBondContact O-N 3.26Å
485Y94.8Very high92.3Very high3 Ų350 Ų501%0.01228%0.282CS..THydrogen-bonded Turntrans-61.1-12.4-179.559-126.6000115.6F379 F380 N383 A468 R483 G487 H488 L489F379-Y485 HydrophobicContact CD1-CD1 4.42Å; F379-Y485 HydrophobicContact CD1-CG 4.43Å; F379-Y485 HydrophobicContact CE1-CD1 4.21Å; F379-Y485 HydrophobicContact CE1-CD2 4.13Å; F379-Y485 AromaticContact CE1-CG 3.79Å; F379-Y485 HydrophobicContact CE1-CG 3.79Å; F379-Y485 HydrophobicContact CZ-CG 4.32Å; F380-Y485 HydrophobicContact CD1-CD1 4.22Å; F380-Y485 AromaticContact CD1-CE1 3.66Å; F380-Y485 HydrophobicContact CD1-CE1 3.66Å; F380-Y485 HydrophobicContact CD1-CE2 4.25Å; F380-Y485 AromaticContact CD1-CZ 3.7Å; F380-Y485 HydrophobicContact CE1-CE1 4.41Å; F380-Y485 HydrophobicContact CE1-CE2 4.25Å; N383-Y485 HydrophobicContact CB-CD1 4.43Å; N383-Y485 HydrophobicContact CB-CE1 4.47Å; N383-Y485 WeakPolarHBondContact ND2-CE1 3.28Å; N383-Y485 PolarHBondContact O-N 2.89Å; A468-Y485 HydrophobicContact CB-CE2 4.15Å; R483-Y485 HydrophobicContact CB-CD1 4.42Å; R483-Y485 HydrophobicContact CB-CD2 4.16Å; R483-Y485 HydrophobicContact CB-CE1 4.13Å; R483-Y485 HydrophobicContact CB-CE2 3.81Å; R483-Y485 HydrophobicContact CB-CG 4.42Å; R483-Y485 HydrophobicContact CG-CE1 4.4Å; R483-Y485 HydrophobicContact CG-CE2 4.26Å; R483-Y485 PolarHBondContact O-N 2.98Å; Y485-G487 PolarHBondContact O-N 3.34Å; Y485-G487 VanDerWaalsContact O-N 3.1Å; Y485-H488 PolarHBondContact O-N 3.38Å; Y485-L489 HydrophobicContact CD2-CB 4.4Å; Y485-L489 HydrophobicContact CD2-CD2 4.38Å; Y485-L489 HydrophobicContact CE2-CD2 4.23Å; Y485-L489 PolarHBondContact O-N 3.09Å
486M94.3Very high92.3Very high0 Ų048.4 Ų48.40%027%0.273CS..Hα-helixtrans-62-25-168.6-68.8-60.3-65.600114.2W469 N472 R482 R483 G484 L489 T490W469-M486 HydrophobicContact CD2-CE 3.52Å; W469-M486 VanDerWaalsContact CE2-CE 3.44Å; W469-M486 HydrophobicContact CE3-CE 4.07Å; W469-M486 HydrophobicContact CG-CE 3.78Å; W469-M486 HydrophobicContact CH2-CE 4.47Å; W469-M486 HydrophobicContact CZ2-CE 3.97Å; N472-M486 HydrophobicContact CB-CE 4.07Å; N472-M486 HydrophobicContact CB-CG 4.4Å; N472-M486 HydrophobicContact CB-SD 3.75Å; N472-M486 WeakPolarHBondContact OD1-CG 3.48Å; R482-M486 HydrophobicContact CG-CB 4.38Å; R482-M486 HydrophobicContact CG-CG 4.04Å; R482-M486 VanDerWaalsContact CZ-CB 3.44Å; R483-M486 HydrophobicContact CB-CG 4.03Å; R483-M486 WeakPolarHBondContact O-CB 3.35Å; R483-M486 WeakPolarHBondContact O-CG 3.41Å; R483-M486 PolarHBondContact O-N 2.69Å; G484-M486 PolarHBondContact O-N 3.26Å; M486-L489 HydrophobicContact CE-CD2 4.18Å; M486-L489 HydrophobicContact SD-CD2 3.81Å; M486-T490 PolarHBondContact O-N 3.2Å; M486-T490 VanDerWaalsContact O-N 3.08Å; M486-T490 PolarHBondContact O-OG1 3.45Å
487G93.6Very high92.2Very high35 Ų3545.7 Ų45.736%0.36126%0.262SS..Hα-helixtrans-65.9-50.8171.300000112.2Y485 L489 T490 R491Y485-G487 PolarHBondContact O-N 3.34Å; Y485-G487 VanDerWaalsContact O-N 3.1Å; G487-L489 VanDerWaalsContact C-N 3.35Å; G487-L489 PolarHBondContact O-N 3.35Å; G487-T490 WeakPolarHBondContact O-CB 3.27Å; G487-T490 PolarHBondContact O-N 3.15Å; G487-R491 WeakPolarHBondContact O-CG 3.27Å; G487-R491 PolarHBondContact O-N 3.45Å
488H95.1Very high91.9Very high30 Ų3045.2 Ų45.214%0.13925%0.249CC..Hα-helixtrans-63.8-38.2174.3-66.7-73.6000112F379 H389 E393 Y485 T490 R491 I492F379-H488 HydrophobicContact CE2-CB 4.09Å; F379-H488 HydrophobicContact CZ-CB 4.18Å; H389-H488 HydrophobicContact CB-CB 3.96Å; H389-H488 WeakPolarHBondContact CB-CD2 3.3Å; E393-H488 IonicContact OE2-CE1 2.69Å; E393-H488 IonicContact OE2-CG 3.12Å; E393-H488 IonicContact OE2-ND1 2.75Å; E393-H488 PolarHBondContact OE2-ND1 2.9Å; Y485-H488 PolarHBondContact O-N 3.38Å; H488-T490 VanDerWaalsContact C-N 3.31Å; H488-T490 PolarHBondContact O-N 2.81Å; H488-R491 PolarHBondContact O-N 2.84Å; H488-R491 VanDerWaalsContact O-N 3.15Å; H488-I492 WeakPolarHBondContact O-CB 3.43Å; H488-I492 VanDerWaalsContact O-CG1 3.3Å; H488-I492 WeakPolarHBondContact O-CG1 3.43Å; H488-I492 PolarHBondContact O-N 2.89Å
489L95.9Very high91.5Very high2 Ų239.7 Ų39.71%0.0122%0.223CC..Hα-helixtrans-62.3-38.1176.1-164.568.3000112.1F379 F380 I465 A468 Y485 M486 G487 A493F379-L489 HydrophobicContact CE1-CD1 4.23Å; F379-L489 HydrophobicContact CZ-CD1 4.48Å; F380-L489 HydrophobicContact CE1-CD1 4.14Å; F380-L489 HydrophobicContact CZ-CD1 4.09Å; I465-L489 HydrophobicContact CB-CD1 4.43Å; I465-L489 HydrophobicContact CG1-CD1 3.92Å; I465-L489 HydrophobicContact CG2-CG 4.45Å; A468-L489 HydrophobicContact CB-CD2 3.83Å; Y485-L489 HydrophobicContact CD2-CB 4.4Å; Y485-L489 HydrophobicContact CD2-CD2 4.38Å; Y485-L489 HydrophobicContact CE2-CD2 4.23Å; Y485-L489 PolarHBondContact O-N 3.09Å; M486-L489 HydrophobicContact CE-CD2 4.18Å; M486-L489 HydrophobicContact SD-CD2 3.81Å; G487-L489 VanDerWaalsContact C-N 3.35Å; G487-L489 PolarHBondContact O-N 3.35Å; L489-A493 WeakPolarHBondContact O-CB 3.38Å; L489-A493 PolarHBondContact O-N 3.36Å
490T94.1Very high91.2Very high5 Ų538.8 Ų38.83%0.03120%0.202CC..Hα-helixtrans-65.4-43.1172.7-57.50000111.3M486 G487 H488 A493 N494 L532 T535M486-T490 PolarHBondContact O-N 3.2Å; M486-T490 VanDerWaalsContact O-N 3.08Å; M486-T490 PolarHBondContact O-OG1 3.45Å; G487-T490 WeakPolarHBondContact O-CB 3.27Å; G487-T490 PolarHBondContact O-N 3.15Å; H488-T490 VanDerWaalsContact C-N 3.31Å; H488-T490 PolarHBondContact O-N 2.81Å; T490-A493 PolarHBondContact O-N 2.99Å; T490-N494 WeakPolarHBondContact O-CB 3.45Å; T490-N494 VanDerWaalsContact O-CG 3.27Å; T490-N494 PolarHBondContact O-N 3.46Å; T490-N494 PolarHBondContact O-ND2 2.96Å; T490-L532 HydrophobicContact CG2-CD1 4.02Å; T490-T535 HydrophobicContact CG2-CG2 4.22Å
491R94.3Very high90.9Very high137 Ų13743.1 Ų43.152%0.51721%0.213SC..Hα-helixtrans-63.4-41.1176.3-70.9167.556.5130-0.5112.2E393 G487 H488 T495E393-R491 VanDerWaalsContact CD-NE 3.25Å; E393-R491 IonicContact OE1-CZ 3.79Å; E393-R491 IonicContact OE1-NE 3.49Å; E393-R491 PolarHBondContact OE1-NE 3.22Å; E393-R491 IonicContact OE1-NH2 2.7Å; E393-R491 PolarHBondContact OE1-NH2 3.36Å; E393-R491 IonicContact OE2-CZ 2.88Å; E393-R491 IonicContact OE2-NE 2.73Å; E393-R491 PolarHBondContact OE2-NE 3.11Å; E393-R491 IonicContact OE2-NH2 3.76Å; G487-R491 WeakPolarHBondContact O-CG 3.27Å; G487-R491 PolarHBondContact O-N 3.45Å; H488-R491 PolarHBondContact O-N 2.84Å; H488-R491 VanDerWaalsContact O-N 3.15Å; R491-T495 WeakPolarHBondContact O-CB 3.25Å; R491-T495 PolarHBondContact O-N 3.44Å; R491-T495 PolarHBondContact O-OG1 3.11Å
492I94.9Very high90.3Very high2 Ų244.3 Ų44.31%0.0121%0.214CC..Hα-helixtrans-60.9-50.4173.1-72.7168000110.7F379 E393 V396 L461 I465 H488 N494 T495 V496F379-I492 HydrophobicContact CE2-CD1 3.96Å; F379-I492 HydrophobicContact CZ-CD1 4.05Å; E393-I492 HydrophobicContact CB-CD1 4.25Å; E393-I492 HydrophobicContact CB-CG1 4.04Å; E393-I492 HydrophobicContact CG-CG1 3.96Å; V396-I492 HydrophobicContact CG1-CG2 4.18Å; L461-I492 HydrophobicContact CD1-CG2 4.19Å; I465-I492 HydrophobicContact CD1-CG2 3.94Å; I465-I492 HydrophobicContact CG1-CG2 4.44Å; H488-I492 WeakPolarHBondContact O-CB 3.43Å; H488-I492 VanDerWaalsContact O-CG1 3.3Å; H488-I492 WeakPolarHBondContact O-CG1 3.43Å; H488-I492 PolarHBondContact O-N 2.89Å; I492-N494 PolarHBondContact O-N 3.33Å; I492-T495 WeakPolarHBondContact O-CB 3.47Å; I492-T495 PolarHBondContact O-N 3.14Å; I492-T495 VanDerWaalsContact O-N 3.15Å; I492-V496 PolarHBondContact O-N 3.24Å
493A94.3Very high89.3Confident0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-60.3-45.8178.800000112I465 L489 T490 T495 V496 V497 W524 F527 L532I465-A493 HydrophobicContact CG2-CB 4.3Å; L489-A493 WeakPolarHBondContact O-CB 3.38Å; L489-A493 PolarHBondContact O-N 3.36Å; T490-A493 PolarHBondContact O-N 2.99Å; A493-T495 VanDerWaalsContact C-N 3.31Å; A493-T495 PolarHBondContact O-N 3.15Å; A493-V496 PolarHBondContact O-N 3.17Å; A493-V497 WeakPolarHBondContact O-CG2 3.4Å; A493-V497 PolarHBondContact O-N 3.11Å; A493-W524 HydrophobicContact CB-CH2 4.34Å; A493-F527 HydrophobicContact CB-CE1 4.12Å; A493-F527 HydrophobicContact CB-CZ 4.49Å; A493-L532 HydrophobicContact CB-CD1 3.91Å; A493-L532 HydrophobicContact CB-CD2 3.97Å
494N92.6Very high88.3Confident49 Ų4939.4 Ų39.426%0.26221%0.205SC..Hα-helixtrans-60.4-38174.5-72.5-18.4000112.6T490 I492 V497 H498 L532 N536T490-N494 WeakPolarHBondContact O-CB 3.45Å; T490-N494 VanDerWaalsContact O-CG 3.27Å; T490-N494 PolarHBondContact O-N 3.46Å; T490-N494 PolarHBondContact O-ND2 2.96Å; I492-N494 PolarHBondContact O-N 3.33Å; N494-V497 PolarHBondContact O-N 3.26Å; N494-H498 VanDerWaalsContact O-CB 3.26Å; N494-H498 WeakPolarHBondContact O-CB 3.26Å; N494-H498 PolarHBondContact O-N 3.4Å; N494-L532 WeakPolarHBondContact OD1-CD1 3.42Å; N494-L532 WeakPolarHBondContact OD1-CG 3.43Å; N494-N536 PolarHBondContact ND2-ND2 3.25Å; N494-N536 PolarHBondContact ND2-OD1 3Å; N494-N536 PolarHBondContact OD1-ND2 3.23Å; N494-N536 PolarHBondContact OD1-OD1 3.06Å
495T91.3Very high87.4Confident33 Ų3338.8 Ų38.820%0.20220%0.196CC..Hα-helixtrans-64.7-39177-60.80000111.9A397 V400 R491 I492 A493 N499A397-T495 HydrophobicContact CB-CG2 4.25Å; V400-T495 HydrophobicContact CG1-CG2 4.36Å; R491-T495 WeakPolarHBondContact O-CB 3.25Å; R491-T495 PolarHBondContact O-N 3.44Å; R491-T495 PolarHBondContact O-OG1 3.11Å; I492-T495 WeakPolarHBondContact O-CB 3.47Å; I492-T495 PolarHBondContact O-N 3.14Å; I492-T495 VanDerWaalsContact O-N 3.15Å; A493-T495 VanDerWaalsContact C-N 3.31Å; A493-T495 PolarHBondContact O-N 3.15Å; T495-N499 PolarHBondContact O-N 3.14Å; T495-N499 PolarHBondContact O-ND2 3.28Å
496V90.8Very high86.6Confident0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-66.5-49.3174.3172.10000111.2F456 L461 I462 I492 A493 H498 N499 L500 W524F456-V496 HydrophobicContact CE1-CG1 4.05Å; F456-V496 HydrophobicContact CZ-CG1 3.9Å; F456-V496 HydrophobicContact CZ-CG2 4.26Å; L461-V496 HydrophobicContact CD2-CG2 4.01Å; I462-V496 HydrophobicContact CD1-CG1 4.09Å; I492-V496 PolarHBondContact O-N 3.24Å; A493-V496 PolarHBondContact O-N 3.17Å; V496-H498 PolarHBondContact O-N 3.23Å; V496-N499 PolarHBondContact O-N 2.79Å; V496-L500 WeakPolarHBondContact O-CB 3.42Å; V496-L500 PolarHBondContact O-N 2.94Å; V496-W524 HydrophobicContact CG1-CH2 4.37Å; V496-W524 HydrophobicContact CG1-CZ2 3.93Å
497V89.5Confident86Confident22 Ų2246.6 Ų46.613%0.13324%0.239CC..Hα-helixtrans-61.3-45.9179.8174.50000111.5A493 N494 N499 L500 E501 W524 V528 L532A493-V497 WeakPolarHBondContact O-CG2 3.4Å; A493-V497 PolarHBondContact O-N 3.11Å; N494-V497 PolarHBondContact O-N 3.26Å; V497-N499 VanDerWaalsContact C-N 3.29Å; V497-N499 PolarHBondContact O-N 3.07Å; V497-L500 WeakPolarHBondContact O-CB 3.45Å; V497-L500 PolarHBondContact O-N 2.95Å; V497-L500 VanDerWaalsContact O-N 3.1Å; V497-E501 PolarHBondContact O-N 3.47Å; V497-W524 HydrophobicContact CG2-CH2 4.38Å; V497-W524 HydrophobicContact CG2-CZ2 3.84Å; V497-V528 HydrophobicContact CG1-CG1 4.1Å; V497-V528 HydrophobicContact CG2-CB 4.48Å; V497-V528 HydrophobicContact CG2-CG1 3.91Å; V497-V528 HydrophobicContact CG2-CG2 3.65Å; V497-L532 HydrophobicContact CG2-CD2 4Å
498H86.9Confident85.4Confident90 Ų9046.4 Ų46.442%0.41723%0.228SC..Hα-helixtrans-58.4-40.2178.7-178.489000112.6N494 V496 E501 K502N494-H498 VanDerWaalsContact O-CB 3.26Å; N494-H498 WeakPolarHBondContact O-CB 3.26Å; N494-H498 PolarHBondContact O-N 3.4Å; V496-H498 PolarHBondContact O-N 3.23Å; H498-E501 PolarHBondContact O-N 2.99Å; H498-K502 PolarHBondContact O-N 3.12Å
499N84.6Confident84.8Confident5 Ų545 Ų453%0.02722%0.221CC..Hα-helixtrans-82-17.6178.8-72.3-82000113.5V400 T495 V496 V497 G503 H506 I509V400-N499 HydrophobicContact CG1-CB 3.53Å; V400-N499 PolarHBondContact O-OD1 3.23Å; T495-N499 PolarHBondContact O-N 3.14Å; T495-N499 PolarHBondContact O-ND2 3.28Å; V496-N499 PolarHBondContact O-N 2.79Å; V497-N499 VanDerWaalsContact C-N 3.29Å; V497-N499 PolarHBondContact O-N 3.07Å; N499-G503 VanDerWaalsContact O-CA 3.26Å; N499-G503 WeakPolarHBondContact O-CA 3.38Å; N499-G503 PolarHBondContact O-N 3.46Å; N499-G503 VanDerWaalsContact O-N 3.13Å; N499-H506 WeakPolarHBondContact O-CA 3.38Å; N499-H506 VanDerWaalsContact O-CB 3.28Å; N499-H506 WeakPolarHBondContact O-CB 3.37Å; N499-I509 HydrophobicContact CB-CD1 4.12Å
500L83.3Confident84.3Confident48 Ų4847.6 Ų47.625%0.25124%0.24SC..Hα-helixtrans-72.7-31.4166.8178.663.5000112.3V496 V497 H506 I509 I513V496-L500 WeakPolarHBondContact O-CB 3.42Å; V496-L500 PolarHBondContact O-N 2.94Å; V497-L500 WeakPolarHBondContact O-CB 3.45Å; V497-L500 PolarHBondContact O-N 2.95Å; V497-L500 VanDerWaalsContact O-N 3.1Å; L500-H506 WeakPolarHBondContact O-CB 3.48Å; L500-I509 HydrophobicContact CB-CG2 4.36Å; L500-I509 HydrophobicContact CD1-CB 4.45Å; L500-I509 HydrophobicContact CD1-CG2 4.13Å; L500-I513 HydrophobicContact CD1-CD1 4.32Å; L500-I513 HydrophobicContact CD2-CD1 3.87Å
501E79.4Confident83.9Confident125 Ų12552.3 Ų52.358%0.58427%0.265SS*.Hα-helixtrans-87-44.8176.6-66.9-177.617800113.7V497 H498V497-E501 PolarHBondContact O-N 3.47Å; H498-E501 PolarHBondContact O-N 2.99Å
502K73.9Confident83.6Confident155 Ų15546.3 Ų46.367%0.67424%0.243SC*.Hα-helixtrans-130.73-163.7-61.7173.1-170.1173.40113.5H498H498-K502 PolarHBondContact O-N 3.12Å
503G71.3Confident83.1Confident4 Ų446.8 Ų46.84%0.04125%0.246CC..  trans-81.5155.4-173.400000114.2N499 V505 H506N499-G503 VanDerWaalsContact O-CA 3.26Å; N499-G503 WeakPolarHBondContact O-CA 3.38Å; N499-G503 PolarHBondContact O-N 3.46Å; N499-G503 VanDerWaalsContact O-N 3.13Å; G503-V505 PolarHBondContact O-N 2.76Å; G503-H506 WeakPolarHBondContact O-CB 3.44Å; G503-H506 PolarHBondContact O-N 3.22Å; G503-H506 PolarHBondContact O-ND1 3.39Å
504P67.9Low82.7Confident59 Ų5949.1 Ų49.138%0.38327%0.265SS..THydrogen-bonded Turntrans-57.4-33.3173.8-27.337.7000113.4P402 M407P402-P504 HydrophobicContact CG-CB 3.92Å; P402-P504 HydrophobicContact CG-CG 4Å; M407-P504 HydrophobicContact CE-CB 3.97Å; M407-P504 HydrophobicContact CE-CG 4.42Å; M407-P504 HydrophobicContact SD-CB 3.7Å; M407-P504 HydrophobicContact SD-CG 3.62Å
505V72.3Confident82.4Confident11 Ų1152.8 Ų52.87%0.06728%0.28CS..THydrogen-bonded Turntrans-100.415.6-177.6-69.90000113.7P402 G503 T507 Q508 I509P402-V505 HydrophobicContact CG-CG1 4.39Å; G503-V505 PolarHBondContact O-N 2.76Å; V505-T507 VanDerWaalsContact C-N 3.25Å; V505-T507 PolarHBondContact O-N 3.15Å; V505-T507 VanDerWaalsContact O-N 3.14Å; V505-Q508 WeakPolarHBondContact O-CB 3.29Å; V505-Q508 PolarHBondContact O-N 2.93Å; V505-I509 HydrophobicContact CG2-CD1 3.72Å; V505-I509 HydrophobicContact CG2-CG1 4.14Å; V505-I509 PolarHBondContact O-N 2.83Å
506H78.8Confident82.3Confident83 Ų8351.9 Ų51.938%0.38428%0.275SS..Hα-helixtrans-53.7-38.2-174.969.9-85.6000113.7N499 L500 G503 Q508 I509 S510N499-H506 WeakPolarHBondContact O-CA 3.38Å; N499-H506 VanDerWaalsContact O-CB 3.28Å; N499-H506 WeakPolarHBondContact O-CB 3.37Å; L500-H506 WeakPolarHBondContact O-CB 3.48Å; G503-H506 WeakPolarHBondContact O-CB 3.44Å; G503-H506 PolarHBondContact O-N 3.22Å; G503-H506 PolarHBondContact O-ND1 3.39Å; H506-Q508 PolarHBondContact O-N 3.43Å; H506-I509 PolarHBondContact O-N 3.48Å; H506-S510 WeakPolarHBondContact O-CB 3.31Å; H506-S510 PolarHBondContact O-N 3.48Å
507T80.9Confident82.1Confident84 Ų8455.3 Ų55.352%0.51530%0.296SS..Hα-helixtrans-64.4-38.6176.852.30000112.4V505 N511V505-T507 VanDerWaalsContact C-N 3.25Å; V505-T507 PolarHBondContact O-N 3.15Å; V505-T507 VanDerWaalsContact O-N 3.14Å; T507-N511 WeakPolarHBondContact O-CB 3.33Å; T507-N511 PolarHBondContact O-N 3.41Å; T507-N511 PolarHBondContact O-ND2 2.89Å
508Q80.9Confident81.9Confident30 Ų3062.5 Ų62.514%0.1433%0.329CS..Hα-helixtrans-71.6-47.4177.1-169.6-172.50.500110.9N449 V452 T453 V505 H506 S510 N511 L512N449-Q508 VanDerWaalsContact CG-OE1 3.32Å; N449-Q508 PolarHBondContact O-NE2 3.44Å; N449-Q508 PolarHBondContact OD1-OE1 3.12Å; V452-Q508 HydrophobicContact CG1-CG 4.38Å; T453-Q508 PolarHBondContact OG1-NE2 2.9Å; V505-Q508 WeakPolarHBondContact O-CB 3.29Å; V505-Q508 PolarHBondContact O-N 2.93Å; H506-Q508 PolarHBondContact O-N 3.43Å; Q508-S510 VanDerWaalsContact C-N 3.29Å; Q508-S510 PolarHBondContact O-N 3.04Å; Q508-N511 PolarHBondContact O-N 3.27Å; Q508-L512 HydrophobicContact CG-CD1 3.91Å; Q508-L512 HydrophobicContact CG-CG 4.38Å; Q508-L512 VanDerWaalsContact O-CG 3.25Å; Q508-L512 WeakPolarHBondContact O-CG 3.5Å; Q508-L512 PolarHBondContact O-N 3.39Å
509I84.1Confident82Confident0 Ų062.6 Ų62.60%033%0.332CS..Hα-helixtrans-60.8-41.8177.8-61.3176.9000110.2V400 V452 F456 N499 L500 V505 H506 L512 I513V400-I509 HydrophobicContact CG1-CD1 4.02Å; V452-I509 HydrophobicContact CG1-CG1 3.99Å; F456-I509 HydrophobicContact CE1-CG2 3.85Å; F456-I509 HydrophobicContact CZ-CG1 4.43Å; F456-I509 HydrophobicContact CZ-CG2 3.76Å; N499-I509 HydrophobicContact CB-CD1 4.12Å; L500-I509 HydrophobicContact CB-CG2 4.36Å; L500-I509 HydrophobicContact CD1-CB 4.45Å; L500-I509 HydrophobicContact CD1-CG2 4.13Å; V505-I509 HydrophobicContact CG2-CD1 3.72Å; V505-I509 HydrophobicContact CG2-CG1 4.14Å; V505-I509 PolarHBondContact O-N 2.83Å; H506-I509 PolarHBondContact O-N 3.48Å; I509-L512 PolarHBondContact O-N 2.83Å; I509-I513 HydrophobicContact CG2-CD1 3.84Å; I509-I513 HydrophobicContact CG2-CG1 4.43Å; I509-I513 WeakPolarHBondContact O-CB 3.42Å; I509-I513 WeakPolarHBondContact O-CG1 3.21Å; I509-I513 PolarHBondContact O-N 3.28Å
510S84.1Confident82.2Confident58 Ų5864.9 Ų64.941%0.40634%0.341SS..Hα-helixtrans-60.7-45.5174.6-173.60000112.1H506 Q508 L512 I513 A514H506-S510 WeakPolarHBondContact O-CB 3.31Å; H506-S510 PolarHBondContact O-N 3.48Å; Q508-S510 VanDerWaalsContact C-N 3.29Å; Q508-S510 PolarHBondContact O-N 3.04Å; S510-L512 PolarHBondContact O-N 2.95Å; S510-I513 PolarHBondContact O-N 3.46Å; S510-A514 WeakPolarHBondContact O-CB 3.31Å; S510-A514 PolarHBondContact O-N 2.74Å
511N85.9Confident82.5Confident103 Ų10365.7 Ų65.755%0.55134%0.341SS*.Hα-helixtrans-62.4-42174.7-72.7-18.1000112.6T507 Q508 A514 E515T507-N511 WeakPolarHBondContact O-CB 3.33Å; T507-N511 PolarHBondContact O-N 3.41Å; T507-N511 PolarHBondContact O-ND2 2.89Å; Q508-N511 PolarHBondContact O-N 3.27Å; N511-A514 CarbonylContact O-C 3.32Å; N511-A514 WeakPolarHBondContact O-CA 3.36Å; N511-A514 WeakPolarHBondContact O-CB 3.39Å; N511-A514 PolarHBondContact O-N 3.45Å; N511-A514 VanDerWaalsContact O-N 3.08Å; N511-E515 WeakPolarHBondContact O-CG 3.07Å; N511-E515 PolarHBondContact O-N 3.17Å
512L87.5Confident82.9Confident11 Ų1161.1 Ų61.16%0.05833%0.327CS..Hα-helixtrans-68-40.2179.9-67.5166.7000111.8V452 T453 F456 Q457 Q508 I509 S510 A514 E515 L516V452-L512 HydrophobicContact CG1-CD1 3.84Å; T453-L512 HydrophobicContact CG2-CD2 4.14Å; F456-L512 HydrophobicContact CB-CB 4.2Å; F456-L512 HydrophobicContact CB-CD1 4.26Å; F456-L512 HydrophobicContact CG-CD1 4.47Å; Q457-L512 HydrophobicContact CG-CD2 3.94Å; Q508-L512 HydrophobicContact CG-CD1 3.91Å; Q508-L512 HydrophobicContact CG-CG 4.38Å; Q508-L512 VanDerWaalsContact O-CG 3.25Å; Q508-L512 WeakPolarHBondContact O-CG 3.5Å; Q508-L512 PolarHBondContact O-N 3.39Å; I509-L512 PolarHBondContact O-N 2.83Å; S510-L512 PolarHBondContact O-N 2.95Å; L512-A514 VanDerWaalsContact C-N 3.25Å; L512-A514 PolarHBondContact O-N 3.04Å; L512-E515 PolarHBondContact O-N 2.76Å; L512-L516 PolarHBondContact O-N 2.85Å
513I85.9Confident83.8Confident12 Ų1256.8 Ų56.86%0.06231%0.306CS..Hα-helixtrans-64.9-33.7169.3-67.5171.9000110.3F456 L500 I509 S510 E515 L516F456-I513 HydrophobicContact CD1-CG1 4.38Å; F456-I513 HydrophobicContact CE1-CD1 4.37Å; F456-I513 HydrophobicContact CE1-CG1 4.25Å; L500-I513 HydrophobicContact CD1-CD1 4.32Å; L500-I513 HydrophobicContact CD2-CD1 3.87Å; I509-I513 HydrophobicContact CG2-CD1 3.84Å; I509-I513 HydrophobicContact CG2-CG1 4.43Å; I509-I513 WeakPolarHBondContact O-CB 3.42Å; I509-I513 WeakPolarHBondContact O-CG1 3.21Å; I509-I513 PolarHBondContact O-N 3.28Å; S510-I513 PolarHBondContact O-N 3.46Å; I513-E515 VanDerWaalsContact C-N 3.26Å; I513-E515 PolarHBondContact O-N 3.48Å; I513-L516 HydrophobicContact CB-CD1 4.49Å; I513-L516 HydrophobicContact CG1-CD1 4.43Å; I513-L516 HydrophobicContact CG2-CD1 4.43Å; I513-L516 WeakPolarHBondContact O-CB 3.43Å; I513-L516 PolarHBondContact O-N 3.42Å
514A84.8Confident84.9Confident49 Ų4957 Ų5741%0.40531%0.305SS..Hα-helixtrans-75.4-7.9174.700000114.7S510 N511 L512 R521S510-A514 WeakPolarHBondContact O-CB 3.31Å; S510-A514 PolarHBondContact O-N 2.74Å; N511-A514 CarbonylContact O-C 3.32Å; N511-A514 WeakPolarHBondContact O-CA 3.36Å; N511-A514 WeakPolarHBondContact O-CB 3.39Å; N511-A514 PolarHBondContact O-N 3.45Å; N511-A514 VanDerWaalsContact O-N 3.08Å; L512-A514 VanDerWaalsContact C-N 3.25Å; L512-A514 PolarHBondContact O-N 3.04Å; A514-R521 PolarHBondContact O-NH1 3.34Å; A514-R521 PolarHBondContact O-NH2 3.02Å
515E87.4Confident86Confident126 Ų12659.5 Ų59.559%0.58931%0.312SS*.Hα-helixtrans-94.6-12.5168.2-73.3173.2170.600112.7Q457 N511 L512 I513Q457-E515 PolarHBondContact NE2-OE2 3.49Å; N511-E515 WeakPolarHBondContact O-CG 3.07Å; N511-E515 PolarHBondContact O-N 3.17Å; L512-E515 PolarHBondContact O-N 2.76Å; I513-E515 VanDerWaalsContact C-N 3.26Å; I513-E515 PolarHBondContact O-N 3.48Å
516L87.3Confident87Confident15 Ų1562.6 Ų62.68%0.07933%0.331CS..SBendtrans-64.9146.3175.9-66.3176.1000111.8I462 L512 I513 R521I462-L516 HydrophobicContact CB-CD1 3.94Å; I462-L516 HydrophobicContact CG1-CD1 4.05Å; I462-L516 HydrophobicContact CG2-CD1 3.81Å; L512-L516 PolarHBondContact O-N 2.85Å; I513-L516 HydrophobicContact CB-CD1 4.49Å; I513-L516 HydrophobicContact CG1-CD1 4.43Å; I513-L516 HydrophobicContact CG2-CD1 4.43Å; I513-L516 WeakPolarHBondContact O-CB 3.43Å; I513-L516 PolarHBondContact O-N 3.42Å; L516-R521 PolarHBondContact O-NH2 3.15Å
517P88.5Confident87.7Confident71 Ų7159.1 Ų59.146%0.46132%0.315SS..  trans-49146169.2-29.737.6000113.3D519 Y520 R521P517-D519 WeakPolarHBondContact CB-OD1 3.3Å; P517-D519 PolarHBondContact O-N 3.49Å; P517-Y520 HydrophobicContact CB-CD2 4.39Å; P517-Y520 PolarHBondContact O-N 3.03Å; P517-R521 WeakPolarHBondContact O-CB 3.11Å; P517-R521 PolarHBondContact O-N 3.02Å
518E84.3Confident88.2Confident174 Ų17456.7 Ų56.781%0.81330%0.3SS*.Hα-helixtrans-60-31.1-173-63.7-176.9161.300113.3G522E518-G522 PolarHBondContact O-N 3.14Å
519D88.6Confident88.7Confident91 Ų9161.8 Ų61.849%0.48732%0.324SS..Hα-helixtrans-71.5-46.9178.265.7-40.7000112.5P517 R521 R523P517-D519 WeakPolarHBondContact CB-OD1 3.3Å; P517-D519 PolarHBondContact O-N 3.49Å; D519-R521 VanDerWaalsContact C-N 3.35Å; D519-R523 WeakPolarHBondContact O-CB 3.46Å; D519-R523 WeakPolarHBondContact O-CD 3.42Å; D519-R523 VanDerWaalsContact O-CG 3.3Å; D519-R523 WeakPolarHBondContact O-CG 3.25Å; D519-R523 PolarHBondContact O-N 3.18Å
520Y88.5Confident89Confident53 Ų5366.8 Ų66.821%0.20835%0.347CS..Hα-helixtrans-67.3-35.4175-78.2-86000112.2Q463 L466 E467 P517 W524Q463-Y520 HydrophobicContact CB-CD1 3.98Å; Q463-Y520 HydrophobicContact CB-CE1 3.67Å; Q463-Y520 HydrophobicContact CG-CD1 3.56Å; Q463-Y520 HydrophobicContact CG-CE1 3.57Å; Q463-Y520 HydrophobicContact CG-CG 4.05Å; L466-Y520 HydrophobicContact CD1-CD1 4.17Å; E467-Y520 WeakPolarHBondContact OE1-CE1 3.12Å; E467-Y520 PolarHBondContact OE1-OH 3.1Å; P517-Y520 HydrophobicContact CB-CD2 4.39Å; P517-Y520 PolarHBondContact O-N 3.03Å; Y520-W524 WeakPolarHBondContact O-CB 3.34Å; Y520-W524 PolarHBondContact O-N 2.93Å
521R89.4Confident89.3Confident66 Ų6666.4 Ų66.425%0.24934%0.342CS..Hα-helixtrans-65.6-51.3174.9-171.7-164.5-45-136.3-8.3112A514 L516 P517 D519 R523 W524 E525A514-R521 PolarHBondContact O-NH1 3.34Å; A514-R521 PolarHBondContact O-NH2 3.02Å; L516-R521 PolarHBondContact O-NH2 3.15Å; P517-R521 WeakPolarHBondContact O-CB 3.11Å; P517-R521 PolarHBondContact O-N 3.02Å; D519-R521 VanDerWaalsContact C-N 3.35Å; R521-R523 VanDerWaalsContact C-N 3.27Å; R521-R523 PolarHBondContact O-N 3.42Å; R521-W524 WeakPolarHBondContact O-CB 3.33Å; R521-W524 PolarHBondContact O-N 3.43Å; R521-E525 WeakPolarHBondContact CD-OE1 3.47Å; R521-E525 HydrophobicContact CG-CG 4.5Å; R521-E525 WeakPolarHBondContact CG-OE1 3.46Å; R521-E525 WeakPolarHBondContact O-CG 3.34Å; R521-E525 PolarHBondContact O-N 3.49Å
522G89.5Confident89.6Confident28 Ų2861.7 Ų61.729%0.28932%0.317SS..Hα-helixtrans-61.7-36.5178.300000112.4E518 T526E518-G522 PolarHBondContact O-N 3.14Å; G522-T526 WeakPolarHBondContact O-CB 3.37Å; G522-T526 PolarHBondContact O-N 3.34Å; G522-T526 PolarHBondContact O-OG1 2.79Å
523R92.4Very high89.7Confident65 Ų6564 Ų6425%0.24533%0.334CS..Hα-helixtrans-64-43.2170.6-77.6163.366.3-145.94.3112L466 E470 D519 R521 F527L466-R523 HydrophobicContact CD1-CB 3.92Å; L466-R523 HydrophobicContact CD2-CB 4.37Å; E470-R523 IonicContact OE1-CZ 2.9Å; E470-R523 VanDerWaalsContact OE1-CZ 3.28Å; E470-R523 IonicContact OE1-NE 3.79Å; E470-R523 PolarHBondContact OE1-NE 3.25Å; E470-R523 IonicContact OE1-NH2 3.78Å; E470-R523 PolarHBondContact OE1-NH2 2.89Å; E470-R523 IonicContact OE2-CZ 2.89Å; E470-R523 IonicContact OE2-NE 2.64Å; E470-R523 IonicContact OE2-NH2 2.74Å; E470-R523 PolarHBondContact OE2-NH2 3.01Å; D519-R523 WeakPolarHBondContact O-CB 3.46Å; D519-R523 WeakPolarHBondContact O-CD 3.42Å; D519-R523 VanDerWaalsContact O-CG 3.3Å; D519-R523 WeakPolarHBondContact O-CG 3.25Å; D519-R523 PolarHBondContact O-N 3.18Å; R521-R523 VanDerWaalsContact C-N 3.27Å; R521-R523 PolarHBondContact O-N 3.42Å; R523-F527 WeakPolarHBondContact O-CB 3.39Å; R523-F527 PolarHBondContact O-N 3Å
524W93.8Very high89.8Confident7 Ų767.1 Ų67.13%0.02735%0.349CS..Hα-helixtrans-63.6-47.9176.6179.7-107.6000112.8I462 I465 L466 A493 V496 V497 Y520 R521 T526 F527 V528I462-W524 HydrophobicContact CD1-CD2 4.05Å; I462-W524 HydrophobicContact CD1-CE3 4.07Å; I462-W524 HydrophobicContact CD1-CH2 3.88Å; I462-W524 HydrophobicContact CD1-CZ2 3.86Å; I462-W524 HydrophobicContact CD1-CZ3 3.98Å; I462-W524 HydrophobicContact CG2-CB 4.05Å; I462-W524 HydrophobicContact CG2-CD2 3.89Å; I462-W524 HydrophobicContact CG2-CE3 3.8Å; I462-W524 HydrophobicContact CG2-CG 4.01Å; I465-W524 HydrophobicContact CD1-CZ3 4.39Å; I465-W524 HydrophobicContact CG2-CZ3 4.06Å; L466-W524 HydrophobicContact CD1-CB 4.25Å; L466-W524 HydrophobicContact CD2-CE3 4.38Å; L466-W524 HydrophobicContact CG-CE3 4.41Å; A493-W524 HydrophobicContact CB-CH2 4.34Å; V496-W524 HydrophobicContact CG1-CH2 4.37Å; V496-W524 HydrophobicContact CG1-CZ2 3.93Å; V497-W524 HydrophobicContact CG2-CH2 4.38Å; V497-W524 HydrophobicContact CG2-CZ2 3.84Å; Y520-W524 WeakPolarHBondContact O-CB 3.34Å; Y520-W524 PolarHBondContact O-N 2.93Å; R521-W524 WeakPolarHBondContact O-CB 3.33Å; R521-W524 PolarHBondContact O-N 3.43Å; W524-T526 PolarHBondContact O-N 3.49Å; W524-F527 AromaticContact CE3-CD1 3.86Å; W524-F527 HydrophobicContact CE3-CD1 3.86Å; W524-F527 HydrophobicContact CE3-CE1 4.39Å; W524-F527 HydrophobicContact CH2-CE1 4.45Å; W524-F527 AromaticContact CZ3-CD1 3.78Å; W524-F527 HydrophobicContact CZ3-CD1 3.78Å; W524-F527 AromaticContact CZ3-CE1 3.84Å; W524-F527 HydrophobicContact CZ3-CE1 3.84Å; W524-F527 PolarHBondContact O-N 3Å; W524-V528 HydrophobicContact CD2-CG2 4.05Å; W524-V528 HydrophobicContact CE3-CG2 4.49Å; W524-V528 HydrophobicContact CH2-CG2 4.27Å; W524-V528 HydrophobicContact CZ2-CG2 3.77Å; W524-V528 WeakPolarHBondContact O-CG2 3.48Å; W524-V528 PolarHBondContact O-N 3.09Å
525E91.3Very high90Very high112 Ų11265.5 Ų65.552%0.52333%0.333SS..Hα-helixtrans-58.8-49.1177.4-70.6167.7-176.500110.8R521 F527 V528 E529R521-E525 WeakPolarHBondContact CD-OE1 3.47Å; R521-E525 HydrophobicContact CG-CG 4.5Å; R521-E525 WeakPolarHBondContact CG-OE1 3.46Å; R521-E525 WeakPolarHBondContact O-CG 3.34Å; R521-E525 PolarHBondContact O-N 3.49Å; E525-F527 VanDerWaalsContact C-N 3.35Å; E525-F527 PolarHBondContact O-N 3.22Å; E525-V528 PolarHBondContact O-N 3.41Å; E525-E529 PolarHBondContact O-N 2.92Å
526T92.7Very high90.1Very high77 Ų7761.6 Ų61.647%0.47232%0.317SS..Hα-helixtrans-61.5-40.8175.7-52.50000112.2G522 W524 H530G522-T526 WeakPolarHBondContact O-CB 3.37Å; G522-T526 PolarHBondContact O-N 3.34Å; G522-T526 PolarHBondContact O-OG1 2.79Å; W524-T526 PolarHBondContact O-N 3.49Å; T526-H530 WeakPolarHBondContact O-CB 3.42Å; T526-H530 PolarHBondContact O-N 3.34Å
527F93.9Very high90.2Very high10 Ų1067.1 Ų67.14%0.04434%0.337CS..Iπ-helixtrans-64.3-42.8178.4169.5-99.7000111.8I465 L466 W469 A493 R523 W524 E525 T531 L532I465-F527 HydrophobicContact CG2-CE1 4.19Å; I465-F527 HydrophobicContact CG2-CZ 4.29Å; L466-F527 HydrophobicContact CD2-CB 3.67Å; L466-F527 HydrophobicContact CD2-CD1 4.24Å; L466-F527 HydrophobicContact CD2-CD2 4.3Å; L466-F527 HydrophobicContact CD2-CG 3.82Å; W469-F527 HydrophobicContact CB-CE2 4.39Å; W469-F527 AromaticContact CD1-CE2 3.53Å; W469-F527 AromaticContact CD1-CZ 3.64Å; W469-F527 AromaticContact CD2-CE2 3.77Å; W469-F527 HydrophobicContact CD2-CE2 3.77Å; W469-F527 HydrophobicContact CD2-CZ 4.49Å; W469-F527 AromaticContact CE2-CE2 3.72Å; W469-F527 AromaticContact CG-CE2 3.66Å; W469-F527 HydrophobicContact CG-CE2 3.66Å; W469-F527 HydrophobicContact CG-CZ 4.23Å; W469-F527 HydrophobicContact CZ2-CE2 4.44Å; W469-F527 AromaticContact NE1-CE2 3.57Å; W469-F527 AromaticContact NE1-CZ 3.53Å; A493-F527 HydrophobicContact CB-CE1 4.12Å; A493-F527 HydrophobicContact CB-CZ 4.49Å; R523-F527 WeakPolarHBondContact O-CB 3.39Å; R523-F527 PolarHBondContact O-N 3Å; W524-F527 AromaticContact CE3-CD1 3.86Å; W524-F527 HydrophobicContact CE3-CD1 3.86Å; W524-F527 HydrophobicContact CE3-CE1 4.39Å; W524-F527 HydrophobicContact CH2-CE1 4.45Å; W524-F527 AromaticContact CZ3-CD1 3.78Å; W524-F527 HydrophobicContact CZ3-CD1 3.78Å; W524-F527 AromaticContact CZ3-CE1 3.84Å; W524-F527 HydrophobicContact CZ3-CE1 3.84Å; W524-F527 PolarHBondContact O-N 3Å; E525-F527 VanDerWaalsContact C-N 3.35Å; E525-F527 PolarHBondContact O-N 3.22Å; F527-T531 HydrophobicContact CD2-CG2 3.89Å; F527-T531 HydrophobicContact CE2-CG2 3.85Å; F527-T531 PolarHBondContact O-N 3.15Å; F527-L532 HydrophobicContact CD1-CB 4.33Å; F527-L532 HydrophobicContact CE1-CB 3.93Å; F527-L532 HydrophobicContact CE1-CD1 4.29Å; F527-L532 HydrophobicContact CE1-CD2 4.09Å; F527-L532 HydrophobicContact CE1-CG 4.34Å; F527-L532 HydrophobicContact CZ-CB 4.04Å; F527-L532 HydrophobicContact CZ-CD1 4.13Å; F527-L532 WeakPolarHBondContact O-CB 3.48Å; F527-L532 PolarHBondContact O-N 2.85Å
528V92.1Very high90Very high32 Ų3268.9 Ų68.919%0.19434%0.337CS..Iπ-helixtrans-68.8-48.5178.3174.30000111.1V497 W524 E525 H530 L532 S533V497-V528 HydrophobicContact CG1-CG1 4.1Å; V497-V528 HydrophobicContact CG2-CB 4.48Å; V497-V528 HydrophobicContact CG2-CG1 3.91Å; V497-V528 HydrophobicContact CG2-CG2 3.65Å; W524-V528 HydrophobicContact CD2-CG2 4.05Å; W524-V528 HydrophobicContact CE3-CG2 4.49Å; W524-V528 HydrophobicContact CH2-CG2 4.27Å; W524-V528 HydrophobicContact CZ2-CG2 3.77Å; W524-V528 WeakPolarHBondContact O-CG2 3.48Å; W524-V528 PolarHBondContact O-N 3.09Å; E525-V528 PolarHBondContact O-N 3.41Å; V528-H530 PolarHBondContact O-N 3.27Å; V528-L532 HydrophobicContact CG2-CD2 4.34Å; V528-S533 WeakPolarHBondContact O-CB 3.47Å; V528-S533 PolarHBondContact O-N 3.01Å; V528-S533 PolarHBondContact O-OG 3.36Å
529E90.8Very high89.9Confident137 Ų13765.5 Ų65.564%0.6433%0.325SS*.Iπ-helixtrans-65.8-35.4-178-167.6-176.1159.800112.8E525 S533E525-E529 PolarHBondContact O-N 2.92Å; E529-S533 WeakPolarHBondContact O-CB 3.18Å
530H91Very high89.4Confident106 Ų10666.9 Ų66.949%0.49134%0.337SS..Iπ-helixtrans-111.7-71.9-175-59.3-18.7000112.7T526 V528 L532 S533 E534T526-H530 WeakPolarHBondContact O-CB 3.42Å; T526-H530 PolarHBondContact O-N 3.34Å; V528-H530 PolarHBondContact O-N 3.27Å; H530-L532 PolarHBondContact O-N 3.35Å; H530-S533 PolarHBondContact O-N 3.3Å; H530-E534 VanDerWaalsContact O-CB 3.25Å; H530-E534 WeakPolarHBondContact O-CB 3.35Å; H530-E534 PolarHBondContact O-N 2.88Å
531T89.9Confident88.6Confident50 Ų5069.2 Ų69.231%0.30735%0.351SS..Iπ-helixtrans-63.1-48.4-167.5-52.60000113.3W469 F527 T535W469-T531 HydrophobicContact CD2-CG2 4.26Å; W469-T531 HydrophobicContact CE3-CG2 3.77Å; W469-T531 HydrophobicContact CH2-CG2 3.76Å; W469-T531 HydrophobicContact CZ2-CG2 4.26Å; W469-T531 HydrophobicContact CZ3-CG2 3.5Å; W469-T531 VanDerWaalsContact CZ3-CG2 3.5Å; F527-T531 HydrophobicContact CD2-CG2 3.89Å; F527-T531 HydrophobicContact CE2-CG2 3.85Å; F527-T531 PolarHBondContact O-N 3.15Å; T531-T535 VanDerWaalsContact O-CB 3.26Å; T531-T535 WeakPolarHBondContact O-CB 3.24Å; T531-T535 PolarHBondContact O-N 3.47Å; T531-T535 PolarHBondContact O-OG1 2.71Å
532L91.4Very high86.9Confident3 Ų371.3 Ų71.32%0.01637%0.368CS..Iπ-helixtrans-70-45.6-180-173.164000110.8T490 A493 N494 V497 F527 V528 H530 E534 T535 N536T490-L532 HydrophobicContact CG2-CD1 4.02Å; A493-L532 HydrophobicContact CB-CD1 3.91Å; A493-L532 HydrophobicContact CB-CD2 3.97Å; N494-L532 WeakPolarHBondContact OD1-CD1 3.42Å; N494-L532 WeakPolarHBondContact OD1-CG 3.43Å; V497-L532 HydrophobicContact CG2-CD2 4Å; F527-L532 HydrophobicContact CD1-CB 4.33Å; F527-L532 HydrophobicContact CE1-CB 3.93Å; F527-L532 HydrophobicContact CE1-CD1 4.29Å; F527-L532 HydrophobicContact CE1-CD2 4.09Å; F527-L532 HydrophobicContact CE1-CG 4.34Å; F527-L532 HydrophobicContact CZ-CB 4.04Å; F527-L532 HydrophobicContact CZ-CD1 4.13Å; F527-L532 WeakPolarHBondContact O-CB 3.48Å; F527-L532 PolarHBondContact O-N 2.85Å; V528-L532 HydrophobicContact CG2-CD2 4.34Å; H530-L532 PolarHBondContact O-N 3.35Å; L532-E534 PolarHBondContact O-N 3.06Å; L532-T535 PolarHBondContact O-N 3.26Å; L532-N536 WeakPolarHBondContact O-CB 3.39Å; L532-N536 VanDerWaalsContact O-CG 3.25Å; L532-N536 PolarHBondContact O-N 3.43Å; L532-N536 PolarHBondContact O-ND2 2.84Å
533S89.4Confident85.4Confident60 Ų6078.2 Ų78.242%0.4240%0.397SS..Hα-helixtrans-61.2-41.1176.9-69.80000112.5V528 E529 H530 R537V528-S533 WeakPolarHBondContact O-CB 3.47Å; V528-S533 PolarHBondContact O-N 3.01Å; V528-S533 PolarHBondContact O-OG 3.36Å; E529-S533 WeakPolarHBondContact O-CB 3.18Å; H530-S533 PolarHBondContact O-N 3.3Å; S533-R537 WeakPolarHBondContact O-CB 3.49Å; S533-R537 PolarHBondContact O-N 3.49Å
534E89.6Confident83.1Confident78 Ų7880.3 Ų80.336%0.36442%0.417SS..Hα-helixtrans-72.8-31.5176.2-149.5-133.1159.600112.6H530 L532 R537 K538H530-E534 VanDerWaalsContact O-CB 3.25Å; H530-E534 WeakPolarHBondContact O-CB 3.35Å; H530-E534 PolarHBondContact O-N 2.88Å; L532-E534 PolarHBondContact O-N 3.06Å; E534-R537 IonicContact OE1-CZ 2.68Å; E534-R537 IonicContact OE1-NH2 2.74Å; E534-R537 PolarHBondContact OE1-NH2 3.33Å; E534-K538 VanDerWaalsContact CD-CE 3.45Å; E534-K538 WeakPolarHBondContact O-CD 3.26Å; E534-K538 VanDerWaalsContact O-CG 3.28Å; E534-K538 WeakPolarHBondContact O-CG 3.25Å; E534-K538 PolarHBondContact O-N 2.9Å; E534-K538 WeakPolarHBondContact OE1-CE 3.5Å; E534-K538 IonicContact OE1-NZ 3.16Å; E534-K538 PolarHBondContact OE1-NZ 3.31Å; E534-K538 IonicContact OE2-NZ 3.32Å; E534-K538 PolarHBondContact OE2-NZ 3.3Å
535T88.1Confident80.5Confident14 Ų1483 Ų839%0.08645%0.447CS..Hα-helixtrans-68.6-45.1173.5-62.40000111.3W469 T490 T531 L532 K538 N539W469-T535 HydrophobicContact CH2-CG2 4.39Å; W469-T535 WeakPolarHBondContact CH2-OG1 3.38Å; W469-T535 HydrophobicContact CZ2-CG2 4.24Å; T490-T535 HydrophobicContact CG2-CG2 4.22Å; T531-T535 VanDerWaalsContact O-CB 3.26Å; T531-T535 WeakPolarHBondContact O-CB 3.24Å; T531-T535 PolarHBondContact O-N 3.47Å; T531-T535 PolarHBondContact O-OG1 2.71Å; L532-T535 PolarHBondContact O-N 3.26Å; T535-K538 WeakPolarHBondContact O-CB 3.31Å; T535-K538 PolarHBondContact O-N 3.23Å; T535-K538 VanDerWaalsContact O-N 3.16Å; T535-N539 PolarHBondContact O-N 3.2Å; T535-N539 PolarHBondContact O-ND2 3.05Å; T535-N539 PolarHBondContact O-OD1 3.1Å
536N89.7Confident78.1Confident45 Ų4584.5 Ų84.524%0.24146%0.464CS..Hα-helixtrans-59.5-48.4173.1-70.5-22.3000110.3N494 L532 K538 N539 T540N494-N536 PolarHBondContact ND2-ND2 3.25Å; N494-N536 PolarHBondContact ND2-OD1 3Å; N494-N536 PolarHBondContact OD1-ND2 3.23Å; N494-N536 PolarHBondContact OD1-OD1 3.06Å; L532-N536 WeakPolarHBondContact O-CB 3.39Å; L532-N536 VanDerWaalsContact O-CG 3.25Å; L532-N536 PolarHBondContact O-N 3.43Å; L532-N536 PolarHBondContact O-ND2 2.84Å; N536-K538 VanDerWaalsContact C-N 3.27Å; N536-K538 PolarHBondContact O-N 3.29Å; N536-N539 CarbonylContact O-C 3.58Å; N536-N539 PolarHBondContact O-N 3.49Å; N536-T540 PolarHBondContact O-N 2.96Å; N536-T540 PolarHBondContact O-OG1 2.83Å; N536-T540 VanDerWaalsContact O-OG1 3.1Å
537R89.1Confident75.4Confident131 Ų13183.8 Ų83.849%0.49447%0.472SS..Hα-helixtrans-54.3-40.8173.4-173.7-169.366.976.6-0.5112.5S533 E534 I541S533-R537 WeakPolarHBondContact O-CB 3.49Å; S533-R537 PolarHBondContact O-N 3.49Å; E534-R537 IonicContact OE1-CZ 2.68Å; E534-R537 IonicContact OE1-NH2 2.74Å; E534-R537 PolarHBondContact OE1-NH2 3.33Å; R537-I541 VanDerWaalsContact O-CG1 3.3Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 3Å
538K85.4Confident72.8Confident107 Ų10790.8 Ų90.847%0.46551%0.51SS..Hα-helixtrans-66.9-39.2175.5-76.6161.1174.9159.20112.5E534 T535 N536 T540E534-K538 VanDerWaalsContact CD-CE 3.45Å; E534-K538 WeakPolarHBondContact O-CD 3.26Å; E534-K538 VanDerWaalsContact O-CG 3.28Å; E534-K538 WeakPolarHBondContact O-CG 3.25Å; E534-K538 PolarHBondContact O-N 2.9Å; E534-K538 WeakPolarHBondContact OE1-CE 3.5Å; E534-K538 IonicContact OE1-NZ 3.16Å; E534-K538 PolarHBondContact OE1-NZ 3.31Å; E534-K538 IonicContact OE2-NZ 3.32Å; E534-K538 PolarHBondContact OE2-NZ 3.3Å; T535-K538 WeakPolarHBondContact O-CB 3.31Å; T535-K538 PolarHBondContact O-N 3.23Å; T535-K538 VanDerWaalsContact O-N 3.16Å; N536-K538 VanDerWaalsContact C-N 3.27Å; N536-K538 PolarHBondContact O-N 3.29Å; K538-T540 VanDerWaalsContact C-N 3.33Å
539N82Confident70.4Confident104 Ų10494.2 Ų94.256%0.55653%0.533SS*.Hα-helixtrans-75-21179.8-62.1-17.4000113.3T535 N536T535-N539 PolarHBondContact O-N 3.2Å; T535-N539 PolarHBondContact O-ND2 3.05Å; T535-N539 PolarHBondContact O-OD1 3.1Å; N536-N539 CarbonylContact O-C 3.58Å; N536-N539 PolarHBondContact O-N 3.49Å
540T77.4Confident68Low120 Ų12099.1 Ų99.174%0.73655%0.546SS*.THydrogen-bonded Turntrans-100.36.6177.1-480000112.7N536 K538 D542N536-T540 PolarHBondContact O-N 2.96Å; N536-T540 PolarHBondContact O-OG1 2.83Å; N536-T540 VanDerWaalsContact O-OG1 3.1Å; K538-T540 VanDerWaalsContact C-N 3.33Å; T540-D542 PolarHBondContact O-N 3.34Å
541I72Confident65.3Low101 Ų101100.4 Ų100.452%0.51857%0.566SS.*SBendtrans-78.5111.6166.3-75.1162.1000107.8R537R537-I541 VanDerWaalsContact O-CG1 3.3Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 3Å
542D52.9Low62.5Low111 Ų111103.2 Ų103.259%0.59459%0.588SS**  trans-59.1135.9173.9-169.8-2.1000111T540 V544T540-D542 PolarHBondContact O-N 3.34Å; D542-V544 VanDerWaalsContact C-N 3.33Å; D542-V544 PolarHBondContact OD1-N 2.86Å
543L57.7Low59.7Low173 Ų173108.4 Ų108.491%0.90662%0.624SS**SBendtrans-78.2-20.8175.1-71.4169.1000111.6G545L543-G545 PolarHBondContact O-N 3.43Å
544V45.4Very low57.4Low108 Ų108113.8 Ų113.866%0.65564%0.643SS**SBendtrans-7971.7168.6-170.80000109.1D542 T546D542-V544 VanDerWaalsContact C-N 3.33Å; D542-V544 PolarHBondContact OD1-N 2.86Å; V544-T546 PolarHBondContact O-N 3.24Å
545G39.2Very low55.1Low64 Ų64117.8 Ų117.866%0.6667%0.667SS**  trans-58.6107.7174.500000111L543 G547L543-G545 PolarHBondContact O-N 3.43Å; G545-G547 PolarHBondContact O-N 2.9Å
546T40Very low52.6Low143 Ų143125.1 Ų125.188%0.87771%0.706SS**  trans-68.362.3165.141.20000109.9V544 N548V544-T546 PolarHBondContact O-N 3.24Å; T546-N548 PolarHBondContact O-N 2.72Å
547G37.2Very low50.3Low63 Ų63130.6 Ų130.665%0.64973%0.732SS**  trans-69.5102.2-171.600000111G545 P549G545-G547 PolarHBondContact O-N 2.9Å; G547-P549 WeakPolarHBondContact O-CD 3.45Å
548N39.4Very low48.1Very low156 Ų156133.1 Ų133.183%0.83475%0.749SS**  trans-67.9105.2150.5-169.531.3000106.6T546T546-N548 PolarHBondContact O-N 2.72Å
549P42Very low45.5Very low105 Ų105133.8 Ų133.868%0.68277%0.767SS**  trans-66.3144.5-169.928.8-34.7000110G547 S551G547-P549 WeakPolarHBondContact O-CD 3.45Å; P549-S551 PolarHBondContact O-N 2.97Å
550R38.6Very low43.6Very low240 Ų240134.1 Ų134.191%0.90678%0.775SS**  trans-60.1124.6175.5-80.4-176.9171.5149-0.1109.5S552R550-S552 PolarHBondContact O-N 3.16Å
551S34.8Very low41.6Very low133 Ų133137.4 Ų137.493%0.9378%0.78SS**  trans-56.4111167.6-1780000109.2P549P549-S551 PolarHBondContact O-N 2.97Å
552S30.5Very low40.5Very low109 Ų109137.6 Ų137.676%0.76279%0.787SS**  trans-133.1147170.1-177.70000106.9R550R550-S552 PolarHBondContact O-N 3.16Å
553S32.6Very low40.1Very low111 Ų111140.3 Ų140.378%0.77679%0.794SS**  trans-41.3147.2-171.8-170.30000115.4
554E41.3Very low39.8Very low174 Ų174139.6 Ų139.681%0.81379%0.786SS**  trans-58.3172.4165.6-63.7160.6112.200112.4
555D42.2Very low40.1Very low162 Ų162140.7 Ų140.787%0.86679%0.787SS**  trans73.891.1178.1-59.2-24.3000117.4
556D35.1Very low40.7Very low168 Ų168142.4 Ų142.490%0.89879%0.785SS**  -159.3166102.1-137.1-28.7000112.4
557M42.1Very low41.2Very low160 Ų160142.2 Ų142.279%0.78878%0.776SS**  trans-101147.2-169.1-77.9-90.2-7200115.5
558E41.7Very low42.1Very low183 Ų183145.7 Ų145.786%0.85578%0.775SS**  trans63.691.6146.1-163.2165-128.400119.4
559S31.4Very low42.7Very low121 Ų121143 Ų14385%0.84676%0.758SS**  trans-153.2144.9159.3-166.90000111.5
560P41.9Very low43.2Very low112 Ų112140.8 Ų140.873%0.72775%0.748SS**  trans-102.6139.7-158.936.9-34.5000117
561F36.3Very low43.8Very low189 Ų189135.9 Ų135.983%0.82973%0.734SS**  trans39.3127.3155.6-85.8-90.3000120.9K563F561-K563 PolarHBondContact O-N 3.16Å; F561-K563 VanDerWaalsContact O-N 3.13Å
562P47.4Very low44.4Very low105 Ų105131.9 Ų131.968%0.68271%0.705SS**  trans-71.1108.6179.530.3-35000112.4
563K46.3Very low45.2Very low167 Ų167130.1 Ų130.173%0.72669%0.687SS**  trans-88.5-5.5173.9-69.7-176.6177.1178.90114.3F561 T566 M567F561-K563 PolarHBondContact O-N 3.16Å; F561-K563 VanDerWaalsContact O-N 3.13Å; K563-T566 PolarHBondContact O-N 2.85Å; K563-M567 PolarHBondContact O-N 3.31Å; K563-M567 VanDerWaalsContact O-N 3.16Å
564E51.2Low46.1Very low159 Ų159129.8 Ų129.874%0.74367%0.67SS**Hα-helixtrans-69.2-41.8-173.3-157.7143.3-140.700111.4T566 M567 Q568E564-T566 PolarHBondContact O-N 3.33Å; E564-M567 PolarHBondContact O-N 3.46Å; E564-M567 VanDerWaalsContact O-N 3.15Å; E564-Q568 WeakPolarHBondContact O-CB 3.47Å; E564-Q568 PolarHBondContact O-N 3.09Å
565L50.9Low46.4Very low130 Ų130126.1 Ų126.168%0.68165%0.653SS**Hα-helixtrans-58.3-43.9175.4-125.9158.9000112.3Q568 Q569L565-Q568 PolarHBondContact O-N 3.47Å; L565-Q569 WeakPolarHBondContact O-CB 3.33Å; L565-Q569 PolarHBondContact O-N 3.45Å
566T51.5Low47.1Very low101 Ų101122.9 Ų122.962%0.6264%0.635SS**Hα-helixtrans-68.8-34.7177-37.70000112.4K563 E564 A570K563-T566 PolarHBondContact O-N 2.85Å; E564-T566 PolarHBondContact O-N 3.33Å; T566-A570 WeakPolarHBondContact O-CB 3.36Å; T566-A570 PolarHBondContact O-N 3.21Å; T566-A570 VanDerWaalsContact O-N 3.07Å
567M50.2Low47.7Very low139 Ų139121.9 Ų121.969%0.68563%0.625SS**Hα-helixtrans-72.3-36.4176.8-168.4176.1-60.600111.8K563 E564 F571K563-M567 PolarHBondContact O-N 3.31Å; K563-M567 VanDerWaalsContact O-N 3.16Å; E564-M567 PolarHBondContact O-N 3.46Å; E564-M567 VanDerWaalsContact O-N 3.15Å; M567-F571 PolarHBondContact O-N 3.28Å; M567-F571 VanDerWaalsContact O-N 3.16Å
568Q56.1Low47.8Very low136 Ų136116.6 Ų116.664%0.63660%0.598SS**Hα-helixtrans-71.7-41.9176.1-170.1161.8-12.100111.5E564 L565 A570 F571 S572E564-Q568 WeakPolarHBondContact O-CB 3.47Å; E564-Q568 PolarHBondContact O-N 3.09Å; L565-Q568 PolarHBondContact O-N 3.47Å; Q568-A570 PolarHBondContact O-N 3.06Å; Q568-F571 WeakPolarHBondContact O-CB 3.5Å; Q568-F571 PolarHBondContact O-N 3.2Å; Q568-S572 PolarHBondContact O-N 3.32Å; Q568-S572 PolarHBondContact O-OG 3.41Å
569Q53.4Low47.9Very low100 Ų100109.2 Ų109.247%0.46756%0.564SS.*Hα-helixtrans-56-51.2171.4-170.765.250.300111.1L565 F571 S572 D573L565-Q569 WeakPolarHBondContact O-CB 3.33Å; L565-Q569 PolarHBondContact O-N 3.45Å; Q569-F571 PolarHBondContact O-N 2.97Å; Q569-F571 VanDerWaalsContact O-N 3.11Å; Q569-S572 WeakPolarHBondContact O-CA 3.44Å; Q569-S572 WeakPolarHBondContact O-CB 3.28Å; Q569-S572 PolarHBondContact O-N 3.29Å; Q569-D573 PolarHBondContact NE2-OD1 3.44Å; Q569-D573 PolarHBondContact O-N 3.5Å
570A51.8Low48.6Very low57 Ų57106.9 Ų106.947%0.47155%0.545SS..Hα-helixtrans-61.8-21.6177.100000113.9T566 Q568 Y574T566-A570 WeakPolarHBondContact O-CB 3.36Å; T566-A570 PolarHBondContact O-N 3.21Å; T566-A570 VanDerWaalsContact O-N 3.07Å; Q568-A570 PolarHBondContact O-N 3.06Å; A570-Y574 VanDerWaalsContact O-CB 3.24Å; A570-Y574 WeakPolarHBondContact O-CB 3.36Å; A570-Y574 PolarHBondContact O-N 2.64Å
571F50.4Low48.6Very low138 Ų138105.1 Ų105.161%0.60554%0.539SS*.Hα-helixtrans-82.6-30.6173.6-130.8-84000112.7M567 Q568 Q569 Q575M567-F571 PolarHBondContact O-N 3.28Å; M567-F571 VanDerWaalsContact O-N 3.16Å; Q568-F571 WeakPolarHBondContact O-CB 3.5Å; Q568-F571 PolarHBondContact O-N 3.2Å; Q569-F571 PolarHBondContact O-N 2.97Å; Q569-F571 VanDerWaalsContact O-N 3.11Å; F571-Q575 PolarHBondContact O-N 3.49Å; F571-Q575 PolarHBondContact O-NE2 2.91Å
572S47.6Very low48.5Very low48 Ų48100.6 Ų100.634%0.33652%0.524SS..Hα-helixtrans-69.4-52.4169.5-57.70000110.6Q568 Q569 Y574 Q575 I576Q568-S572 PolarHBondContact O-N 3.32Å; Q568-S572 PolarHBondContact O-OG 3.41Å; Q569-S572 WeakPolarHBondContact O-CA 3.44Å; Q569-S572 WeakPolarHBondContact O-CB 3.28Å; Q569-S572 PolarHBondContact O-N 3.29Å; S572-Y574 PolarHBondContact O-N 2.84Å; S572-Q575 PolarHBondContact O-N 2.86Å; S572-I576 WeakPolarHBondContact O-CG1 3.26Å; S572-I576 PolarHBondContact O-N 2.71Å
573D46.8Very low48Very low72 Ų72100.2 Ų100.239%0.38551%0.511SS..Hα-helixtrans-58-36.4-179.1-55.3-18.4000111.4Q569 I576 Q577Q569-D573 PolarHBondContact NE2-OD1 3.44Å; Q569-D573 PolarHBondContact O-N 3.5Å; D573-I576 PolarHBondContact O-N 3.33Å; D573-Q577 PolarHBondContact O-N 3.11Å
574Y52.8Low47.7Very low105 Ų10596.9 Ų96.941%0.41251%0.505SS..Hα-helixtrans-69.8-34.4176.8-175.3-102.6000114A570 S572 Q578 L812A570-Y574 VanDerWaalsContact O-CB 3.24Å; A570-Y574 WeakPolarHBondContact O-CB 3.36Å; A570-Y574 PolarHBondContact O-N 2.64Å; S572-Y574 PolarHBondContact O-N 2.84Å; Y574-Q578 VanDerWaalsContact CZ-NE2 3.35Å; Y574-Q578 PolarHBondContact OH-NE2 3.3Å; Y574-Q578 VanDerWaalsContact OH-NE2 3.12Å; Y574-L812 HydrophobicContact CE1-CD2 4.15Å; Y574-L812 WeakPolarHBondContact OH-CD1 3.24Å
575Q46.3Very low47.1Very low97 Ų9796.9 Ų96.945%0.45351%0.51SS..Hα-helixtrans-69.6-46.9170.5-81.1164.399.300110F571 S572 Q577 Q578 M579F571-Q575 PolarHBondContact O-N 3.49Å; F571-Q575 PolarHBondContact O-NE2 2.91Å; S572-Q575 PolarHBondContact O-N 2.86Å; Q575-Q577 VanDerWaalsContact C-N 3.3Å; Q575-Q577 PolarHBondContact O-N 3.29Å; Q575-Q578 CarbonylContact O-C 3.57Å; Q575-Q578 WeakPolarHBondContact O-CA 3.41Å; Q575-Q578 PolarHBondContact O-N 3.31Å; Q575-M579 VanDerWaalsContact C-SD 3.59Å; Q575-M579 HydrophobicContact CB-SD 4.38Å; Q575-M579 PolarHBondContact O-N 2.83Å
576I58Low46.5Very low94 Ų9498.8 Ų98.848%0.48252%0.516SS..Hα-helixtrans-60.2-37.3179.9-64.6165.3000111.7S572 D573 Q578 M579 T580S572-I576 WeakPolarHBondContact O-CG1 3.26Å; S572-I576 PolarHBondContact O-N 2.71Å; D573-I576 PolarHBondContact O-N 3.33Å; I576-Q578 VanDerWaalsContact C-N 3.25Å; I576-Q578 PolarHBondContact O-N 2.91Å; I576-M579 WeakPolarHBondContact O-CB 3.3Å; I576-M579 PolarHBondContact O-N 2.95Å; I576-T580 PolarHBondContact O-N 3.34Å; I576-T580 PolarHBondContact O-OG1 3.11Å; I576-T580 VanDerWaalsContact O-OG1 3.11Å
577Q47Very low45.8Very low147 Ų147100.3 Ų100.369%0.68751%0.514SS*.Hα-helixtrans-66.3-23.4172.6-78.4-168.1-24.800114D573 Q575 A581D573-Q577 PolarHBondContact O-N 3.11Å; Q575-Q577 VanDerWaalsContact C-N 3.3Å; Q575-Q577 PolarHBondContact O-N 3.29Å; Q577-A581 WeakPolarHBondContact O-CB 3.47Å
578Q45.6Very low45.1Very low48 Ų4897.8 Ų97.822%0.22452%0.523CS..Hα-helixtrans-92.2-16.3172.9-66.8-165.414.800113.6Y574 Q575 I576 A814Y574-Q578 VanDerWaalsContact CZ-NE2 3.35Å; Y574-Q578 PolarHBondContact OH-NE2 3.3Å; Y574-Q578 VanDerWaalsContact OH-NE2 3.12Å; Q575-Q578 CarbonylContact O-C 3.57Å; Q575-Q578 WeakPolarHBondContact O-CA 3.41Å; Q575-Q578 PolarHBondContact O-N 3.31Å; I576-Q578 VanDerWaalsContact C-N 3.25Å; I576-Q578 PolarHBondContact O-N 2.91Å; Q578-A814 HydrophobicContact CB-CB 3.88Å; Q578-A814 HydrophobicContact CG-CB 4.19Å
579M43.8Very low43.9Very low28 Ų2899.6 Ų99.614%0.13853%0.53CS..Hα-helixtrans-61.3-67.5157.4-86.276.9-169.700110Q575 I576 A581 D816Q575-M579 VanDerWaalsContact C-SD 3.59Å; Q575-M579 HydrophobicContact CB-SD 4.38Å; Q575-M579 PolarHBondContact O-N 2.83Å; I576-M579 WeakPolarHBondContact O-CB 3.3Å; I576-M579 PolarHBondContact O-N 2.95Å; M579-A581 PolarHBondContact O-N 3.16Å; M579-D816 WeakPolarHBondContact CA-O 3.43Å; M579-D816 HydrophobicContact CB-CB 4.14Å; M579-D816 HydrophobicContact CE-CB 3.94Å; M579-D816 WeakPolarHBondContact CE-OD1 3.18Å; M579-D816 HydrophobicContact CG-CB 3.71Å; M579-D816 HydrophobicContact SD-CB 3.69Å
580T45.6Very low43.1Very low73 Ų73101 Ų10145%0.44854%0.54SS..Hα-helixtrans-74.8-30.9-155-41.30000113.2I576 N582 F583 V584I576-T580 PolarHBondContact O-N 3.34Å; I576-T580 PolarHBondContact O-OG1 3.11Å; I576-T580 VanDerWaalsContact O-OG1 3.11Å; T580-N582 PolarHBondContact O-N 3.2Å; T580-F583 PolarHBondContact O-N 2.97Å; T580-F583 VanDerWaalsContact O-N 3.07Å; T580-V584 HydrophobicContact CG2-CG2 4.49Å
581A42.5Very low42.2Very low74 Ų74105.3 Ų105.361%0.61256%0.555SS**THydrogen-bonded Turntrans-62.7-24.9-176.800000114.5Q577 M579Q577-A581 WeakPolarHBondContact O-CB 3.47Å; M579-A581 PolarHBondContact O-N 3.16Å
582N33.4Very low41.7Very low94 Ų94103.6 Ų103.650%0.50355%0.552SS.*THydrogen-bonded Turntrans-101.9-2.4176.8-731.3000113.2T580 A814T580-N582 PolarHBondContact O-N 3.2Å; N582-A814 PolarHBondContact ND2-O 3.24Å
583F37.5Very low41.5Very low97 Ų97108.7 Ų108.743%0.42557%0.571SS.*THydrogen-bonded Turntrans-94.3-25-173.3-167.6-106.1000113.3T580 S817T580-F583 PolarHBondContact O-N 2.97Å; T580-F583 VanDerWaalsContact O-N 3.07Å; F583-S817 WeakPolarHBondContact CD2-OG 3.11Å
584V40.2Very low40.9Very low98 Ų98114.8 Ų114.859%0.59459%0.594SS**G310 helixtrans-73-40.9-174.3176.20000112.8T580 Q586T580-V584 HydrophobicContact CG2-CG2 4.49Å; V584-Q586 PolarHBondContact O-N 3.2Å; V584-Q586 VanDerWaalsContact O-N 3.13Å
585D38.2Very low40.3Very low159 Ų159114.3 Ų114.385%0.8560%0.603SS**G310 helixtrans-69.4-11.1-172.8-82.7-8.6000115.2
586Q37.5Very low40.1Very low170 Ų170115.1 Ų115.179%0.79461%0.61SS**G310 helixtrans-111.9-2.3-174.7-161.7157.327.600115V584V584-Q586 PolarHBondContact O-N 3.2Å; V584-Q586 VanDerWaalsContact O-N 3.13Å
587F37.2Very low39.2Very low132 Ų132117.7 Ų117.758%0.57962%0.62SS**SBendtrans-132.3105.6167.9-76.6-84.8000109.3F589F587-F589 VanDerWaalsContact C-N 3.31Å; F587-F589 HydrophobicContact CB-CD2 4.26Å; F587-F589 HydrophobicContact CB-CE2 4.25Å; F587-F589 PolarHBondContact O-N 3.35Å
588G34.7Very low38.8Very low86 Ų86117 Ų11789%0.88762%0.621SS**  trans-70.779.1-177.800000113.3
589F30.5Very low38.6Very low175 Ų175122 Ų12277%0.76865%0.649SS**  trans-74131.3162.1-80.1-91.4000109.5F587F587-F589 VanDerWaalsContact C-N 3.31Å; F587-F589 HydrophobicContact CB-CD2 4.26Å; F587-F589 HydrophobicContact CB-CE2 4.25Å; F587-F589 PolarHBondContact O-N 3.35Å
590N37.3Very low38.4Very low128 Ų128126 Ų12668%0.68467%0.671SS**  trans-79.8117.7166.3-72.2-25.3000108.4D592 E593N590-D592 PolarHBondContact O-N 3.47Å; N590-E593 PolarHBondContact O-N 3.39Å
591D33.6Very low38.4Very low149 Ų149127.2 Ų127.280%0.79767%0.674SS**G310 helixtrans-60.7-21.4171.7-85.1-30.9000112.5E593 F594D591-E593 PolarHBondContact O-N 3.47Å; D591-E593 VanDerWaalsContact O-N 3.14Å; D591-F594 PolarHBondContact O-N 2.89Å
592D40.5Very low38.2Very low101 Ų101125.7 Ų125.754%0.5467%0.666SS.*G310 helixtrans-57.5-23178.5-67.2-12000114N590 F594 T595N590-D592 PolarHBondContact O-N 3.47Å; D592-F594 VanDerWaalsContact C-N 3.33Å; D592-F594 PolarHBondContact O-N 3.18Å; D592-T595 PolarHBondContact O-OG1 3.03Å
593E43.2Very low38.7Very low155 Ų155123.9 Ų123.972%0.72466%0.664SS**G310 helixtrans-74-21.9-177.8-169.5167.5-167.600113.3N590 D591N590-E593 PolarHBondContact O-N 3.39Å; D591-E593 PolarHBondContact O-N 3.47Å; D591-E593 VanDerWaalsContact O-N 3.14Å
594F32.8Very low38.8Very low200 Ų200123.4 Ų123.488%0.87767%0.668SS**G310 helixtrans-94.5-2.4-176.7-127.8-88.2000114.6D591 D592D591-F594 PolarHBondContact O-N 2.89Å; D592-F594 VanDerWaalsContact C-N 3.33Å; D592-F594 PolarHBondContact O-N 3.18Å
595T41.7Very low38.7Very low96 Ų96125.8 Ų125.859%0.58967%0.671SS**THydrogen-bonded Turntrans-96.6-28.9176480000114.2D592 H597D592-T595 PolarHBondContact O-OG1 3.03Å; T595-H597 VanDerWaalsContact C-N 3.32Å; T595-H597 PolarHBondContact O-N 3.03Å
596D40.4Very low38.8Very low114 Ų114124.2 Ų124.261%0.6166%0.663SS**THydrogen-bonded Turntrans-86.46.2-161-75.822.9000114.9
597H40.4Very low39Very low147 Ų147125.9 Ų125.968%0.68166%0.662SS**THydrogen-bonded Turntrans-86.7-16.9-176.6-94.482.7000115.7T595T595-H597 VanDerWaalsContact C-N 3.32Å; T595-H597 PolarHBondContact O-N 3.03Å
598D39.2Very low39.3Very low134 Ų134125.1 Ų125.172%0.71766%0.662SS**SBendtrans-74.6-34.5179-96.2-22.2000112.8N600 I601D598-N600 VanDerWaalsContact C-N 3.35Å; D598-N600 PolarHBondContact O-N 2.98Å; D598-I601 PolarHBondContact O-N 3.22Å
599D40.6Very low39.5Very low152 Ų152125.1 Ų125.181%0.81365%0.654SS**THydrogen-bonded Turntrans-69-28.6-175.2-89.8-16.2000113.5I601D599-I601 VanDerWaalsContact C-N 3.29Å; D599-I601 PolarHBondContact O-N 3.17Å
600N40.4Very low40.3Very low112 Ų112125.1 Ų125.160%0.59966%0.657SS**Hα-helixtrans-78.4-12.7-175.9-153.83.8000113.3D598 G602D598-N600 VanDerWaalsContact C-N 3.35Å; D598-N600 PolarHBondContact O-N 2.98Å; N600-G602 VanDerWaalsContact C-N 3.3Å; N600-G602 PolarHBondContact O-N 2.87Å
601I43.8Very low40.3Very low98 Ų98124.6 Ų124.650%0.50365%0.653SS.*Hα-helixtrans-68.4-31.1177.7-62.2177.6000110.8D598 D599 T604D598-I601 PolarHBondContact O-N 3.22Å; D599-I601 VanDerWaalsContact C-N 3.29Å; D599-I601 PolarHBondContact O-N 3.17Å; I601-T604 PolarHBondContact O-OG1 2.95Å
602G38.8Very low40.6Very low43 Ų43124.6 Ų124.644%0.44365%0.653SS.*Hα-helixtrans-62.3-44.1177.100000113.6N600 T604 F605 D606N600-G602 VanDerWaalsContact C-N 3.3Å; N600-G602 PolarHBondContact O-N 2.87Å; G602-T604 VanDerWaalsContact C-N 3.25Å; G602-T604 PolarHBondContact O-N 2.99Å; G602-F605 PolarHBondContact O-N 3.14Å; G602-F605 VanDerWaalsContact O-N 3.12Å; G602-D606 PolarHBondContact O-N 3.5Å
603A44.4Very low40.5Very low56 Ų56125.8 Ų125.846%0.46366%0.658SS.*Hα-helixtrans-65.6-24.8-175.300000114
604T39.8Very low40.3Very low86 Ų86125.7 Ų125.753%0.52866%0.662SS.*Hα-helixtrans-80-31.817561.50000112.6I601 G602I601-T604 PolarHBondContact O-OG1 2.95Å; G602-T604 VanDerWaalsContact C-N 3.25Å; G602-T604 PolarHBondContact O-N 2.99Å
605F37Very low40.6Very low148 Ų148122.7 Ų122.765%0.64965%0.654SS**Hα-helixtrans-72.3-41.5178.6-113.1-88.3000113G602 R607 I608G602-F605 PolarHBondContact O-N 3.14Å; G602-F605 VanDerWaalsContact O-N 3.12Å; F605-R607 VanDerWaalsContact C-N 3.29Å; F605-R607 PolarHBondContact O-N 2.88Å; F605-I608 WeakPolarHBondContact O-CB 3.35Å; F605-I608 PolarHBondContact O-N 3.23Å; F605-I608 VanDerWaalsContact O-N 3.1Å
606D40.2Very low40.2Very low126 Ų126125.2 Ų125.267%0.67466%0.664SS**Hα-helixtrans-63.7-33.5177.9-85.1-19.8000112.4G602 I608 A609G602-D606 PolarHBondContact O-N 3.5Å; D606-I608 PolarHBondContact O-N 3.44Å; D606-A609 WeakPolarHBondContact O-CB 3.45Å; D606-A609 PolarHBondContact O-N 3.13Å; D606-A609 VanDerWaalsContact O-N 3.1Å
607R43.7Very low40.3Very low206 Ų206124.7 Ų124.778%0.77768%0.675SS**Hα-helixtrans-66.6-20.8175.1-77.4-173.7176.11763.1114F605 A609 I611F605-R607 VanDerWaalsContact C-N 3.29Å; F605-R607 PolarHBondContact O-N 2.88Å; R607-A609 VanDerWaalsContact C-N 3.32Å; R607-I611 WeakPolarHBondContact O-CG1 3.43Å
608I41.6Very low40.9Very low115 Ų115120.1 Ų120.159%0.5967%0.668SS**Hα-helixtrans-75.5-24.4174.9-63.7169.5000110.8F605 D606 E610F605-I608 WeakPolarHBondContact O-CB 3.35Å; F605-I608 PolarHBondContact O-N 3.23Å; F605-I608 VanDerWaalsContact O-N 3.1Å; D606-I608 PolarHBondContact O-N 3.44Å; I608-E610 PolarHBondContact O-N 3.21Å
609A40.5Very low41.2Very low87 Ų87122.3 Ų122.372%0.71967%0.673SS**Hα-helixtrans-73.9-22.6-179.200000114.4D606 R607D606-A609 WeakPolarHBondContact O-CB 3.45Å; D606-A609 PolarHBondContact O-N 3.13Å; D606-A609 VanDerWaalsContact O-N 3.1Å; R607-A609 VanDerWaalsContact C-N 3.32Å
610E46Very low41.3Very low174 Ų174119.2 Ų119.281%0.81366%0.657SS**THydrogen-bonded Turntrans-1053.2-174.2-64-154.5134.100115.4I608 N612I608-E610 PolarHBondContact O-N 3.21Å; E610-N612 VanDerWaalsContact C-N 3.35Å; E610-N612 PolarHBondContact O-N 2.99Å
611I38.7Very low41.9Very low118 Ų118120.6 Ų120.661%0.60567%0.669SS**  trans-75.884.3178.8-45.6-174000111.2R607 I613R607-I611 WeakPolarHBondContact O-CG1 3.43Å; I611-I613 VanDerWaalsContact C-N 3.35Å; I611-I613 HydrophobicContact CG2-CD1 4.35Å; I611-I613 HydrophobicContact CG2-CG1 3.72Å; I611-I613 PolarHBondContact O-N 3.5Å
612N38.7Very low42.4Very low148 Ų148118.8 Ų118.879%0.79167%0.669SS**  trans-74.679.8174.7-17415.3000111.8E610 N614E610-N612 VanDerWaalsContact C-N 3.35Å; E610-N612 PolarHBondContact O-N 2.99Å; N612-N614 PolarHBondContact O-N 3.34Å
613I38.2Very low42.9Very low127 Ų127121.5 Ų121.565%0.65167%0.674SS**  trans-70.997178-49.6179.9000110.2I611 I615I611-I613 VanDerWaalsContact C-N 3.35Å; I611-I613 HydrophobicContact CG2-CD1 4.35Å; I611-I613 HydrophobicContact CG2-CG1 3.72Å; I611-I613 PolarHBondContact O-N 3.5Å; I613-I615 HydrophobicContact CB-CG1 4.45Å; I613-I615 HydrophobicContact CG2-CD1 4.37Å; I613-I615 HydrophobicContact CG2-CG1 3.62Å; I613-I615 PolarHBondContact O-N 3.34Å
614N39.2Very low43.3Very low152 Ų152123.8 Ų123.881%0.81368%0.682SS**  trans-7982.2173.6-167.748.4000110.6N612 D616N612-N614 PolarHBondContact O-N 3.34Å; N614-D616 PolarHBondContact O-N 3.32Å
615I38.7Very low43.9Very low137 Ų137122.9 Ų122.970%0.70368%0.683SS**  trans-68.7114.2-177.7-58.3175.8000110.5I613 A617I613-I615 HydrophobicContact CB-CG1 4.45Å; I613-I615 HydrophobicContact CG2-CD1 4.37Å; I613-I615 HydrophobicContact CG2-CG1 3.62Å; I613-I615 PolarHBondContact O-N 3.34Å; I615-A617 PolarHBondContact O-N 2.77Å
616D33.4Very low44.9Very low150 Ų150120.8 Ų120.880%0.80268%0.682SS**  trans-72.3121.5164.6-171.820.3000109.5N614 G618N614-D616 PolarHBondContact O-N 3.32Å; D616-G618 PolarHBondContact O-N 2.63Å
617A43.8Very low45.2Very low102 Ų102122.8 Ų122.884%0.84369%0.685SS**  trans-81.560.8-170.200000111.7I615I615-A617 PolarHBondContact O-N 2.77Å
618G51.4Low45.8Very low51 Ų51118.8 Ų118.853%0.52668%0.675SS.*  trans-106.8-24.9-160.200000118.2D616D616-G618 PolarHBondContact O-N 2.63Å
619H47.3Very low46.4Very low180 Ų180116.2 Ų116.283%0.83367%0.671SS**SBendtrans-160.2175.2-178.5-132.9-100.8000115.7
620D42.3Very low46.7Very low88 Ų88116.7 Ų116.747%0.47167%0.668SS.*  trans68.348.1164.8-77.220.7000119.6A622 N623D620-A622 PolarHBondContact O-N 2.98Å; D620-A622 VanDerWaalsContact O-N 3.09Å; D620-N623 PolarHBondContact OD2-ND2 3.47Å
621T51.7Low46.6Very low140 Ų140112.4 Ų112.486%0.85966%0.657SS**THydrogen-bonded Turntrans-65.30.4158.8-14.60000114.5
622A54.5Low47.1Very low60 Ų60113.2 Ų113.250%0.49666%0.656SS.*THydrogen-bonded Turntrans-87-41.2-172.900000113.7D620 T624 A625D620-A622 PolarHBondContact O-N 2.98Å; D620-A622 VanDerWaalsContact O-N 3.09Å; A622-T624 PolarHBondContact O-N 3.49Å; A622-A625 PolarHBondContact O-N 2.85Å
623N50.4Low47.5Very low101 Ų101114.4 Ų114.454%0.5466%0.657SS.*Hα-helixtrans-72.4-34-167.4-59.6-28.5000112.4D620 A625 V626 F627D620-N623 PolarHBondContact OD2-ND2 3.47Å; N623-A625 VanDerWaalsContact C-N 3.27Å; N623-A625 PolarHBondContact O-N 2.74Å; N623-V626 PolarHBondContact O-N 2.92Å; N623-F627 PolarHBondContact O-N 3.4Å
624T51.4Low47.7Very low104 Ų104119.7 Ų119.764%0.63867%0.669SS**Hα-helixtrans-60.4-34.6176.2-41.40000112.8A622 V626 F627 E628A622-T624 PolarHBondContact O-N 3.49Å; T624-V626 VanDerWaalsContact C-N 3.34Å; T624-V626 PolarHBondContact O-N 3.31Å; T624-F627 PolarHBondContact O-N 3.19Å; T624-E628 PolarHBondContact O-N 3.19Å
625A53.9Low48.1Very low66 Ų66120.3 Ų120.355%0.54567%0.671SS.*Hα-helixtrans-72.4-26.5-179.400000113.1A622 N623A622-A625 PolarHBondContact O-N 2.85Å; N623-A625 VanDerWaalsContact C-N 3.27Å; N623-A625 PolarHBondContact O-N 2.74Å
626V57.6Low47.8Very low104 Ų104122.2 Ų122.263%0.6368%0.677SS**Hα-helixtrans-75.7-39175.6-177.60000110.5N623 T624 A629 C630N623-V626 PolarHBondContact O-N 2.92Å; T624-V626 VanDerWaalsContact C-N 3.34Å; T624-V626 PolarHBondContact O-N 3.31Å; V626-A629 PolarHBondContact O-N 2.88Å; V626-C630 PolarHBondContact O-N 3.08Å
627F47.1Very low48.2Very low169 Ų169119.7 Ų119.774%0.74167%0.668SS**Hα-helixtrans-63.1-44.7178.3-168.7-99.9000112.6N623 T624 A629 C630 S631N623-F627 PolarHBondContact O-N 3.4Å; T624-F627 PolarHBondContact O-N 3.19Å; F627-A629 PolarHBondContact O-N 3.31Å; F627-C630 PolarHBondContact O-N 2.82Å; F627-S631 PolarHBondContact O-N 3Å
628E54.4Low47.6Very low121 Ų121124.8 Ų124.857%0.56567%0.672SS**Hα-helixtrans-74-9.5-179.4-147-152.2137.100114.5T624 S631 K632T624-E628 PolarHBondContact O-N 3.19Å; E628-S631 PolarHBondContact O-OG 3.49Å; E628-K632 PolarHBondContact O-NZ 3.23Å; E628-K632 IonicContact OE1-NZ 3.66Å; E628-K632 PolarHBondContact OE1-NZ 3.09Å
629A54.9Low46.6Very low61 Ų61128.9 Ų128.950%0.50468%0.682SS.*Hα-helixtrans-84.4-48.5172.600000111V626 F627 S631 K632V626-A629 PolarHBondContact O-N 2.88Å; F627-A629 PolarHBondContact O-N 3.31Å; A629-S631 VanDerWaalsContact C-N 3.28Å; A629-S631 PolarHBondContact O-N 2.85Å; A629-K632 PolarHBondContact O-N 3.31Å
630C46.1Very low46Very low97 Ų97127.2 Ų127.266%0.65568%0.679SS**Hα-helixtrans-64.6-32.2-176.9-163.30000112.6V626 F627 K632 E633V626-C630 PolarHBondContact O-N 3.08Å; F627-C630 PolarHBondContact O-N 2.82Å; C630-K632 PolarHBondContact O-N 3.38Å; C630-E633 PolarHBondContact O-N 3.28Å
631S45.5Very low45.5Very low85 Ų85129.8 Ų129.859%0.59469%0.693SS**THydrogen-bonded Turntrans-68.4-1.3177.567.90000115.4F627 E628 A629F627-S631 PolarHBondContact O-N 3Å; E628-S631 PolarHBondContact O-OG 3.49Å; A629-S631 VanDerWaalsContact C-N 3.28Å; A629-S631 PolarHBondContact O-N 2.85Å
632K47.8Very low44.7Very low134 Ų134130.9 Ų130.958%0.58369%0.688SS**THydrogen-bonded Turntrans-113.2-0.6-178-69.8176.8-172.9121.60114.7E628 A629 C630E628-K632 PolarHBondContact O-NZ 3.23Å; E628-K632 IonicContact OE1-NZ 3.66Å; E628-K632 PolarHBondContact OE1-NZ 3.09Å; A629-K632 PolarHBondContact O-N 3.31Å; C630-K632 PolarHBondContact O-N 3.38Å
633E48.5Very low43.7Very low174 Ų174135.8 Ų135.881%0.81370%0.701SS**SBendtrans-101.22.3-172.4-152.6172.9-174.800114.6C630C630-E633 PolarHBondContact O-N 3.28Å
634R42.3Very low43Very low238 Ų238136.6 Ų136.690%0.89871%0.705SS**SBendtrans-129.529.2-177.4-143178.3-173.586.5-1.2116.3
635I46.2Very low42.2Very low164 Ų164138.1 Ų138.184%0.84171%0.708SS**  trans-126.6106159.4-57.6178.4000107.1
636Q34Very low41.2Very low178 Ų178144.1 Ų144.183%0.83272%0.717SS**  trans-116.4126.2172.1-168.5169.833.200108.2
637P42.1Very low40Very low96 Ų96146.6 Ų146.662%0.62372%0.721SS**PPolyproline II helixtrans-75.9154.7178.832.3-34.8000111.1
638F30Very low39.3Very low209 Ų209144.9 Ų144.992%0.91772%0.716SS**PPolyproline II helixtrans-96.2117.3153.5-75.5-86.8000106.9
639D30.6Very low38.1Very low138 Ų138145.5 Ų145.574%0.73872%0.716SS**PPolyproline II helixtrans-76155.2171.5-71-35.9000110.8
640D35Very low36.8Very low144 Ų144149.1 Ų149.177%0.7772%0.723SS**  trans-18.4156.1147.8-53-31.1000116
641D31Very low36.1Very low143 Ų143150.9 Ų150.977%0.76572%0.724SS**  cis-163.5-169.326.7-143.8-28.5000111.9
642E35.8Very low35.3Very low162 Ų162151.7 Ų151.776%0.75772%0.722SS**  trans79.6133.6162.2-68.4-165.8-158.800119.5
643E32.5Very low34.2Very low164 Ų164155.3 Ų155.377%0.76673%0.734SS**  cis-160.3165.8-15.7-140.4-169.2-168.900113.3
644D37.3Very low33.1Very low117 Ų117151.4 Ų151.463%0.62673%0.731SS**  trans79.6156.3147.3-156.424.2000121.1W646D644-W646 PolarHBondContact OD1-NE1 3.35Å
645I34.5Very low32.4Very low137 Ų137145.1 Ų145.170%0.70373%0.73SS**  trans104.268.8162.1-46.3-177.4000118.1
646W32.7Very low31.3Very low192 Ų192145.6 Ų145.673%0.72773%0.729SS**  trans49.6112.3132.1-58.595000120.3D644D644-W646 PolarHBondContact OD1-NE1 3.35Å
647E31Very low30.9Very low156 Ų156142.2 Ų142.273%0.72972%0.72SS**  28.9139.6115.6-66.1-171.1154.900119
648E32.5Very low30.1Very low133 Ų133146.8 Ų146.862%0.62173%0.73SS**  cis-172.6171.138.6-143.1-167.3168.700112.8
649K30.8Very low29.9Very low133 Ų133141.8 Ų141.858%0.57872%0.721SS**  trans71.3138.9152.7-70-175157.657.90121.6
650E27.8Very low29.6Very low138 Ų138144.6 Ų144.665%0.64572%0.721SS**  cis-161.3122.1-15.2-122.3173.1-160.400113.6
651I31.2Very low29.2Very low133 Ų133143.2 Ų143.268%0.68271%0.714SS**  trans45.3150.214713.1168.1000127.4
652N28.1Very low29Very low102 Ų102145.3 Ų145.355%0.54571%0.711SS.*  trans93.4142134.4-82.9-29.1000119.9
653Y25.2Very low28.5Very low211 Ų211146.1 Ų146.183%0.82771%0.712SS**  cis-135.6159.25.3-113.4-65.7000112.1
654A24.6Very low28.1Very low92 Ų92141.7 Ų141.776%0.7671%0.711SS**  trans-112.8155.6176.400000113.5
655A27.9Very low27.4Very low106 Ų106140 Ų14088%0.87672%0.722SS**  trans-146.9141.7163.200000110.8
656Q23.7Very low26.8Very low174 Ų174139.2 Ų139.281%0.81373%0.728SS**  trans-120.9143.7-166.1-80.6-174.4-21.200114.8
657T24.1Very low27.2Very low106 Ų106135.6 Ų135.665%0.6573%0.729SS**  trans42.6138.2138.871.90000123.1
658K25.7Very low26.8Very low193 Ų193133.4 Ų133.484%0.83973%0.731SS**  trans174.1126.8130.1-91.1147.3-169.5167.90107.5
659S26.7Very low26.5Very low103 Ų103132.6 Ų132.672%0.7274%0.74SS**  cis70.8127.114.696.60000117
660R24.5Very low26.3Very low198 Ų198135 Ų13575%0.74775%0.754SS**  149.3106.3119.9-171.617217292.2-7.9116.2
661N26Very low26.1Very low114 Ų114133.4 Ų133.461%0.6176%0.757SS**  trans75.1168.6141.7-62.26.6000119.7
662R26.9Very low25.8Very low188 Ų188136.4 Ų136.471%0.70977%0.769SS**  cis-162.716712.1-142.9160.1-168.1-160.5-0.2115.5
663F24.1Very low25.6Very low178 Ų178136.9 Ų136.978%0.78179%0.786SS**  trans66.8146.4159-85.5-79.8000118.1
664G24.5Very low25.6Very low71 Ų71131.1 Ų131.173%0.73278%0.783SS**  cis128.7126.3-15.600000115.8
665G24.1Very low25.8Very low83 Ų83131.6 Ų131.686%0.85678%0.78SS**  trans146.8119.7167.400000115.9
666S21.8Very low25.8Very low120 Ų120134.8 Ų134.884%0.83978%0.777SS**  trans-101.9-172.5170.1-29.40000110.2
667P39.6Very low25.8Very low115 Ų115132 Ų13275%0.74777%0.772SS**  cis-130.2-177.7-17.841.1-26.2000113
668S23.7Very low25.9Very low110 Ų110132.7 Ų132.777%0.76978%0.78SS**  164.7151.5125.250.30000115.9
669S26.5Very low25.8Very low116 Ų116130.2 Ų130.281%0.81177%0.771SS**  trans57.5102.5148.7-580000122.7
670Q24.9Very low25.8Very low185 Ų185133.2 Ų133.286%0.86477%0.767SS**  trans12.5139.1130.1-75.1-178.2-20.300122.2
671S23.8Very low25.8Very low104 Ų104129.1 Ų129.173%0.72776%0.764SS**  91.713713076.90000122.6
672Q24.5Very low25.9Very low196 Ų196128 Ų12892%0.91677%0.771SS**  trans48.9117.7155-67.5-178-5.600119.8
673A24Very low25.8Very low111 Ų111123.6 Ų123.692%0.91778%0.775SS**  trans-135.2130.8153.200000110.1
674A26.7Very low26.1Very low91 Ų91120.4 Ų120.475%0.75277%0.774SS**  trans-139.3154.316800000109.4
675S27.6Very low26.2Very low102 Ų102121.5 Ų121.571%0.71377%0.771SS**  trans60.6102.5168.252.60000120
676Q28.1Very low26.3Very low173 Ų173123.1 Ų123.181%0.80876%0.764SS**  90.8122.6112.6-75.8-179.3-6.600123.7
677T24Very low26.5Very low116 Ų116124.7 Ų124.771%0.71276%0.763SS**  89.6130.2129.553.10000123.2
678C26Very low26Very low119 Ų119123.3 Ų123.380%0.80476%0.761SS**  trans68.6148.1153.5-65.80000117.5
679E23.7Very low27.2Very low141 Ų141123.3 Ų123.366%0.65976%0.759SS**  cis-165.2165.2-9.2-103.3-136.5125.500106.8
680R26.5Very low27.2Very low166 Ų166125.1 Ų125.163%0.62676%0.759SS**  cis-178.7162-19.5-178.2-14946.4-112.2-12.8106.5
681T25.2Very low27.4Very low113 Ų113127.1 Ų127.169%0.69376%0.759SS**  trans67.3155.8166.940.10000117
682A27.3Very low28.2Very low91 Ų91128.1 Ų128.175%0.75276%0.763SS**  cis-173.6-178.7-21.600000110.3
683A26.1Very low28.5Very low95 Ų95122.2 Ų122.279%0.78575%0.747SS**  trans74.4136.2176.300000115.7
684S28.7Very low28.6Very low110 Ų110124.6 Ų124.677%0.76975%0.745SS**  cis80.313746.6-156.30000112
685S27Very low28.9Very low95 Ų95124.6 Ų124.666%0.66474%0.739SS**  cis-154.3179.726.7-38.60000113.9
686T26.1Very low28.9Very low117 Ų117126.6 Ų126.672%0.71874%0.742SS**  trans-5.7156.3153.762.60000120.2
687D27.1Very low29Very low153 Ų153122.8 Ų122.882%0.81874%0.735SS**  -163.917755.1-111.8-59000116.6
688A29.1Very low29.4Very low86 Ų86124.9 Ų124.971%0.71174%0.736SS**  trans-105-159.9174.300000110.5
689P48.2Very low29.8Very low109 Ų109127.3 Ų127.371%0.70874%0.736SS**  cis-133.5-175.2-7.344.8-27.8000114.6
690D26Very low30.3Very low154 Ų154129.5 Ų129.582%0.82475%0.746SS**  -177.6171.8107.5-123.3-37000115.4
691R29.8Very low30.5Very low228 Ų228127.5 Ų127.586%0.8675%0.748SS**  trans-108.8-176.5172.5-92.9-176.7177-169.4-1.3110.5
692P41.3Very low30.9Very low124 Ų124127.8 Ų127.881%0.80575%0.745SS**  cis-133.5-148.113.939.5-16.5000112.8
693A31.4Very low31.2Very low72 Ų72129.8 Ų129.860%0.59574%0.737SS**  -163.2-178.6-65.700000108.8
694D25.5Very low31.5Very low161 Ų161130.4 Ų130.486%0.86173%0.727SS**  trans67.1155.1162.4-50.5-20.8000118.5
695S31.8Very low31.7Very low91 Ų91131.1 Ų131.164%0.63672%0.718SS**  cis-167.9174.3-32.2-161.40000109.7
696D27.4Very low31.8Very low145 Ų145134.9 Ų134.978%0.77572%0.723SS**  trans69.4157.5155.7-54.1-13.4000118
697S32Very low32.1Very low93 Ų93134.4 Ų134.465%0.6572%0.716SS**  cis-167.2-172.2-21.159.60000108.1
698E32Very low32.8Very low159 Ų159132.7 Ų132.774%0.74371%0.713SS**  cis-166.91481-130.1152141.900108.5
699E33Very low32.6Very low170 Ų170137 Ų13779%0.79472%0.716SS**  trans56.1-179.9162.6-40.1-61.269.400119.8
700E34.2Very low31.6Very low187 Ų187136.1 Ų136.187%0.87471%0.713SS**  cis-155149.10.8-122-163.5127.500105.6
701D32.5Very low31.7Very low125 Ų125133.9 Ų133.967%0.66871%0.709SS**  cis-162.7170.7-25-167.227.2000111.5
702N31.7Very low31.5Very low118 Ų118132.4 Ų132.463%0.63171%0.712SS**  trans4160.6153.5-73.3-42.3000123.4
703K35.6Very low30.8Very low133 Ų133129.9 Ų129.958%0.57871%0.708SS**  cis-162.6-167.72.4-122.5164.6154.2-93.70107.9E705K703-E705 VanDerWaalsContact NZ-CD 3.35Å; K703-E705 IonicContact NZ-OE1 2.76Å; K703-E705 PolarHBondContact NZ-OE1 3.47Å; K703-E705 IonicContact NZ-OE2 3Å
704D32.4Very low30.5Very low109 Ų109135.1 Ų135.158%0.58372%0.72SS**  cis-166.1174.16.7-122.3-24.4000108.9
705E32Very low30.6Very low125 Ų125134.2 Ų134.258%0.58472%0.721SS**  cis-160.7173.7-29.6-132.7163.6-154.200103.8K703K703-E705 VanDerWaalsContact NZ-CD 3.35Å; K703-E705 IonicContact NZ-OE1 2.76Å; K703-E705 PolarHBondContact NZ-OE1 3.47Å; K703-E705 IonicContact NZ-OE2 3Å
706F28.1Very low30.3Very low173 Ų173133.8 Ų133.876%0.75973%0.73SS**  cis-160.9153.911.5-137-50000107.8
707D34.1Very low30.2Very low108 Ų108131.3 Ų131.358%0.57873%0.73SS**  trans-130.2161.4163.7175.557.4000108.8F709D707-F709 WeakPolarHBondContact OD2-CD2 3.42Å; D707-F709 PolarHBondContact OD2-N 3.1Å
708P40.1Very low31.2Very low117 Ų117132.7 Ų132.776%0.7674%0.737SS**  -152.7119.2120.333.7-13.7000117.7
709F26.6Very low31.9Very low177 Ų177130.1 Ų130.178%0.77673%0.734SS**  16.8124.7124.8-103.4-118.4000122.7D707D707-F709 WeakPolarHBondContact OD2-CD2 3.42Å; D707-F709 PolarHBondContact OD2-N 3.1Å
710S26.2Very low31.5Very low90 Ų90127.1 Ų127.163%0.62973%0.732SS**  78.7121.8121.7-75.20000126.2
711S27.3Very low31.2Very low107 Ų107122.7 Ų122.775%0.74872%0.722SS**  85.5126.812677.10000123.1
712Q27.3Very low30.8Very low197 Ų197122.6 Ų122.692%0.92172%0.721SS**  177.1152.3114.5-96.4-172.97.200114.2
713G26Very low30.4Very low70 Ų70127.7 Ų127.772%0.72273%0.731SS**  trans78.597.5164.700000116.5
714Q26Very low30Very low182 Ų182127 Ų12785%0.8574%0.739SS**  58.8105.758.8-61.5-165.7-0.900116.8
715T26Very low29.7Very low143 Ų143126.1 Ų126.188%0.87775%0.746SS**  159.1150.2107.642.60000112.8
716G25.4Very low29.5Very low81 Ų81125.6 Ų125.684%0.83575%0.747SS**  trans103123.9154.600000118.2
717A25.8Very low29.5Very low94 Ų94125.8 Ų125.878%0.77775%0.748SS**  trans-152.8179.9166.200000107.8
718P53.1Low29Very low122 Ų122123.3 Ų123.379%0.79275%0.748SS**  -108.2-144.5-57.737-20.7000107.7
719P46.4Very low28.4Very low105 Ų105126 Ų12668%0.68275%0.75SS**  cis-138.3-176.2-11.741.9-23.1000117.1
720S25.3Very low28.5Very low107 Ų107123.2 Ų123.275%0.74875%0.748SS**  trans82.7141.714466.70000123.1
721S28.3Very low28.5Very low94 Ų94125.7 Ų125.766%0.65775%0.754SS**  trans71.3111.1153.3-81.90000122.8
722D22.9Very low28.7Very low122 Ų122125.2 Ų125.265%0.65275%0.75SS**  84.2125.5114.1-63.6-36.3000123.9
723W23.3Very low28.6Very low225 Ų225122.5 Ų122.585%0.85275%0.747SS**  trans33.3146.4139.1-57.884.1000122.2
724V27.3Very low28.4Very low120 Ų120123.2 Ų123.273%0.72775%0.747SS**  cis-174.2-169.8-19.484.50000108.2
725A26.1Very low29Very low89 Ų89120.4 Ų120.474%0.73674%0.744SS**  trans76.5152.8159.500000118.5
726D28.6Very low29Very low114 Ų114117.8 Ų117.861%0.6174%0.737SS**  cis-167.3152.3-21.1-164.918.8000105.9
727F26.5Very low29Very low178 Ų178119.2 Ų119.278%0.78174%0.741SS**  179.7156.577.8-89.9-85.3000108.5
728G24.4Very low28.9Very low56 Ų56118.7 Ų118.758%0.57775%0.745SS**  cis176178.5-5.200000114
729E28.1Very low27.5Very low172 Ų172117.7 Ų117.780%0.80475%0.747SS**  trans57.5126.3145.6-60.4-158.1128.100120.2
730V28Very low26.4Very low120 Ų120116.9 Ų116.973%0.72775%0.749SS**  cis-158.4-179.13.1-100.70000107.7
731N27.1Very low26.4Very low142 Ų142121.7 Ų121.776%0.75976%0.757SS**  cis-154.3-149.824-151.7-78.5000112.3
732S30.4Very low26.5Very low96 Ų96122.2 Ų122.267%0.67176%0.761SS**  trans-111.6175.3-175.5-57.20000111.9
733T25.1Very low27.3Very low140 Ų140121.7 Ų121.786%0.85976%0.764SS**  cis-160.1165.325.8-31.70000112.2
734A21.9Very low27.5Very low86 Ų86122.4 Ų122.471%0.71177%0.767SS**  trans-111.8-160.4175.900000110.8
735P39.3Very low27.4Very low122 Ų122124.3 Ų124.379%0.79277%0.772SS**  cis-147.8-176.1145.8-25.7000119
736A25.5Very low27.5Very low89 Ų89123.8 Ų123.874%0.73677%0.768SS**  trans72.3116.7138.800000125.5
737A25.2Very low27.9Very low110 Ų110123.9 Ų123.991%0.90978%0.775SS**  54.2133.5124.400000124.3
738G24.3Very low27.8Very low83 Ų83121.9 Ų121.986%0.85678%0.777SS**  trans171.8139.6163.200000112.5
739A24.1Very low27.9Very low102 Ų102125 Ų12584%0.84379%0.791SS**  trans-115.6154.8-161.800000117.3
740A23.6Very low27.8Very low87 Ų87125.8 Ų125.872%0.71979%0.794SS**  trans84.4157.7143.600000122.7
741F24.4Very low28.4Very low208 Ų208125.6 Ų125.691%0.91280%0.795SS**  trans82.8115.5166-77.2-84000122.2
742S30Very low28.2Very low106 Ų106123.5 Ų123.574%0.74180%0.798SS**  trans-76.6174.4148.1-38.80000109.9
743P39.3Very low28.1Very low110 Ų110123.2 Ų123.271%0.71480%0.801SS**  cis-145.9179.626.643.4-22.4000118.8
744W28.5Very low28.1Very low241 Ų241122.3 Ų122.391%0.91380%0.795SS**  trans45.4119.4150.6-71.930.6000120.5
745D24.1Very low28.5Very low159 Ų159126 Ų12685%0.8580%0.798SS**  -170.4169.6103.4-126.9-31.3000113.5
746A29Very low27.9Very low79 Ų79126.2 Ų126.265%0.65380%0.797SS**  trans-97-179.7175.100000111.7
747P36.5Very low28Very low116 Ų116130.7 Ų130.775%0.75380%0.803SS**  cis-143.9171.211.643.7-23.8000119.2
748V25.1Very low28.3Very low135 Ų135132.1 Ų132.182%0.81880%0.795SS**  trans25.4115.1148.1-174.90000120.7
749S27Very low28.6Very low123 Ų123138.5 Ų138.586%0.8680%0.799SS**  -178.2159.7120.435.60000114.1
750Q25Very low28.8Very low187 Ų187136.9 Ų136.987%0.87479%0.793SS**  trans-95.7176.3-176.1-81.9-178.9-18.200112.9
751P41.6Very low29.3Very low117 Ų117145.4 Ų145.476%0.7681%0.807SS**  cis-136.5-179.1-16.928.6-6.1000116.1
752A23.3Very low29.6Very low98 Ų98139 Ų13981%0.8179%0.793SS**  trans106.4142.9138.500000121.8
753A26.8Very low29.6Very low89 Ų89143 Ų14374%0.73680%0.796SS**  trans79.6109.2163.500000120.5
754T26.7Very low29.4Very low121 Ų121147.2 Ų147.274%0.74280%0.804SS**  trans4014113054.30000120.8
755E28.4Very low29.7Very low165 Ų165141.7 Ų141.777%0.77180%0.797SS**  cis-163.8159.731.3-137.4155.3-135.300112.1
756T27.4Very low29.8Very low126 Ų126141.3 Ų141.377%0.77380%0.795SS**  trans19.415115353.80000122.7
757E28.9Very low29.9Very low182 Ų182147.9 Ų147.985%0.8581%0.809SS**  cis-137.3149.412.3-59.5176.4139.600107.9
758D29.6Very low29.6Very low141 Ų141150.7 Ų150.775%0.75481%0.812SS**  cis98.3106.532.1-156.237.5000115.2
759K30.8Very low29.8Very low216 Ų216150.1 Ų150.194%0.93981%0.811SS**  trans-175.992.9165.9-110.8165.9-172.1168.10111.2
760G29.4Very low29.6Very low69 Ų69153.9 Ų153.971%0.71181%0.812SS**  trans-165.6134.1171.900000109.6
761W33.2Very low29.7Very low266 Ų266150.6 Ų150.6100%1.00881%0.809SS**SBendtrans-87.4123.3-168-145.517.6000111.2
762A32Very low28.9Very low74 Ų74151.6 Ų151.661%0.61282%0.817SS**  trans70.2137.3-179.200000118.1F764A762-F764 HydrophobicContact CB-CE2 4.27Å
763K28.5Very low28.9Very low188 Ų188151.7 Ų151.782%0.81781%0.812SS**  trans-141.7135.3163.5-75179.9179.11690107.7
764F35.3Very low28.9Very low199 Ų199156 Ų15687%0.87382%0.817SS**  trans-11966.5-176.8-82.8-82.9000112.1A762A762-F764 HydrophobicContact CB-CE2 4.27Å
765T35.7Very low28.8Very low125 Ų125157.4 Ų157.477%0.76783%0.825SS**  trans-144.760176.758.50000112.3
766D26.4Very low28.7Very low151 Ų151152.7 Ų152.781%0.80782%0.821SS**  trans-161.1109.6167.5-114.4-32.3000112.1
767F30.2Very low29.1Very low218 Ų218151.8 Ų151.896%0.95682%0.817SS**  trans-166.3118148.6-86.3-55.5000110.2
768Q29.9Very low28.9Very low175 Ų175154.1 Ų154.182%0.81882%0.818SS**PPolyproline II helixtrans-91.8153.8166.1-83.8-167.2-15.300111.5
769P29.5Very low28.6Very low122 Ų122152.4 Ų152.479%0.79282%0.816SS**PPolyproline II helixtrans-77.8128.5-172.730.3-35.1000113
770F24.2Very low28.3Very low202 Ų202147 Ų14789%0.88681%0.806SS**PPolyproline II helixtrans-85121.2172.2-89.5-88.4000112.2
771C26.7Very low28.1Very low119 Ų119148.5 Ų148.580%0.80481%0.805SS**PPolyproline II helixtrans-92.9134.1158.7-69.10000109.9
772C25.1Very low28.1Very low138 Ų138141.3 Ų141.393%0.93279%0.793SS**  trans-152.1161.9158.5-100.20000110.5
773S23.2Very low27.9Very low100 Ų100143.1 Ų143.170%0.69980%0.796SS**  trans-119.9155.4-15253.70000115.2
774E25.8Very low27.9Very low179 Ų179141.3 Ų141.384%0.83680%0.795SS**  trans50.3118.9152.9-65.9-171.413300120.4
775T25Very low27.7Very low150 Ų150135.7 Ų135.792%0.9278%0.781SS**  -164.6138.4120.29.60000111.2
776G25.1Very low27.3Very low67 Ų67136.6 Ų136.669%0.69178%0.781SS**  trans-97.8-159.4165.200000111.5
777P36.7Very low27.5Very low106 Ų106137.3 Ų137.369%0.68878%0.784SS**  cis-144-176.45.545.2-28000116.3
778R25.6Very low27.6Very low231 Ų231132.5 Ų132.587%0.87278%0.777SS**  trans73.6153.7159.1-68.4168-174.8159.31.9116.8
779C23.1Very low27.5Very low106 Ų106127 Ų12772%0.71677%0.767SS**  cis-158.1154.93.5-131.80000114.4
780S23.9Very low27.7Very low103 Ų103127.1 Ų127.172%0.7277%0.771SS**  trans58.4121.8149.2-50.70000120.9
781S25.4Very low27.9Very low100 Ų100124.3 Ų124.370%0.69977%0.766SS**  62137.964.8-160.20000114.2
782P32.1Very low28.1Very low115 Ų115124.2 Ų124.275%0.74777%0.766SS**  cis-121.916921.841.2-26.5000115.5
783V29.6Very low28.3Very low111 Ų111122.9 Ų122.967%0.67375%0.754SS**  cis82.8112.735.3-160.20000116.2
784D26.9Very low28.8Very low151 Ų151127 Ų12781%0.80776%0.759SS**  trans-153.7129.1131.7-100.2-37.4000107.9
785S32.1Very low29.4Very low81 Ų81123.6 Ų123.657%0.56675%0.753SS**  76.1126.663.8-47.70000112.6
786D26.8Very low29.5Very low143 Ų143124.2 Ų124.277%0.76575%0.75SS**  cis-159.7159.9-11.7-108.6-40.1000106.9
787L31.5Very low30Very low167 Ų167125.5 Ų125.587%0.87475%0.746SS**  -179.1145.388.1-87.3171.5000113.8
788S30.7Very low29.6Very low117 Ų117127.8 Ų127.882%0.81875%0.753SS**  trans-33.4154.5168.11780000119.6
789G28.8Very low29.6Very low59 Ų59122.6 Ų122.661%0.60875%0.749SS**  cis149.1-176.8-3.600000116
790S33Very low29.7Very low125 Ų125123.6 Ų123.687%0.87476%0.756SS**  trans72.4152.6174.675.10000119.6
791D28.6Very low29.8Very low143 Ų143125.6 Ų125.677%0.76576%0.764SS**  cis-167.4136.1-35.3-178.619.8000109.7
792S30.5Very low29.8Very low116 Ų116131.4 Ų131.481%0.81177%0.77SS**  trans-178.9126.5148.427.70000114.8
793T29.3Very low29.4Very low111 Ų111132.1 Ų132.168%0.68178%0.778SS**  trans-67.1160.5166.950.10000113.4
794K34.7Very low29.2Very low186 Ų186131.4 Ų131.481%0.80978%0.784SS**  cis-179.7-175.310.9-109.6168.2-172.8172.50106.9
795P37.1Very low29Very low108 Ų108130.1 Ų130.170%0.70179%0.785SS**  -140.3137.6-50.237.1-17.5000116.3
796N28.2Very low28.6Very low162 Ų162132.6 Ų132.687%0.86680%0.797SS**  trans56.6172148.8-112.713.5000120.9
797P36.3Very low28.6Very low94 Ų94130.2 Ų130.261%0.6180%0.797SS**  cis-125.4156.4-18.239.1-25.2000114.6
798N26.5Very low28.3Very low154 Ų154134.6 Ų134.682%0.82480%0.802SS**  -179.2127.3129.4-94.7-12.2000109.9
799P27.1Very low28.2Very low122 Ų122139 Ų13979%0.79281%0.806SS**  trans-97.7109.6-173.734.9-31.3000113.6
800C25.5Very low27.9Very low128 Ų128140.5 Ų140.587%0.86581%0.813SS**  trans-127.1106.1158-73.30000108.6
801V24.3Very low27.5Very low145 Ų145140.6 Ų140.688%0.87981%0.811SS**  trans-142.9135.7170.7-174.40000108.7
802W26.2Very low27.4Very low222 Ų222139.1 Ų139.184%0.84180%0.802SS**  trans-68.5176.5177.5-60.7-56.7000113.6
803S23.9Very low27.2Very low129 Ų129140.8 Ų140.890%0.90281%0.807SS**  trans-140115149.8-72.30000109.1
804A24.6Very low26.9Very low97 Ų97137 Ų13780%0.80279%0.787SS**  trans-95142174.200000110.1
805C24.5Very low26.4Very low124 Ų124133.5 Ų133.584%0.83879%0.786SS**  trans-162111.9159.8-116.80000113.3
806V23.4Very low25.8Very low133 Ų133131.5 Ų131.581%0.80677%0.769SS**  trans33.6109.5141.1-170.70000119.3
807A26.6Very low25.7Very low93 Ų93127.1 Ų127.177%0.76975%0.751SS**  trans18.6118.8144.400000120.6
808R24.9Very low25.3Very low259 Ų259126.3 Ų126.398%0.97775%0.748SS**  trans-127.8160.4145.2-72.5-175.4173.7170.7-1.5108.9
809K27.7Very low25.4Very low208 Ų208124.4 Ų124.490%0.90475%0.747SS**  trans-115.4150.9-159.3-166.3173.5-176.1177.10113.2
810A23.9Very low25.4Very low91 Ų91124.3 Ų124.375%0.75275%0.749SS**  trans77.2156.5172.100000117.2
811P24.1Very low25.6Very low128 Ų128123.6 Ų123.683%0.83175%0.746SS**  cis-109.8-172.2-7.140-28.4000113.5
812L26Very low25.7Very low112 Ų112121.2 Ų121.259%0.58674%0.735SS**  trans-96155.6-173.9-60.3133.4000113Y574Y574-L812 HydrophobicContact CE1-CD2 4.15Å; Y574-L812 WeakPolarHBondContact OH-CD1 3.24Å
813V25.8Very low25.7Very low151 Ų151116.5 Ų116.592%0.91574%0.736SS**  trans-148.2126.4153.4-110.20000108
814A23.6Very low25.7Very low30 Ų30117.1 Ų117.125%0.24873%0.729CS.*  trans-88.1139.2-173.200000112.2Q578 N582Q578-A814 HydrophobicContact CB-CB 3.88Å; Q578-A814 HydrophobicContact CG-CB 4.19Å; N582-A814 PolarHBondContact ND2-O 3.24Å
815S24.7Very low25.7Very low114 Ų114118.4 Ų118.480%0.79773%0.733SS**  trans-163.584.9163.7-75.90000107.7
816D23.9Very low25.8Very low65 Ų65120.2 Ų120.235%0.34873%0.734SS.*  trans-129.5154.7-176-97.4-51.1000108.7M579M579-D816 WeakPolarHBondContact CA-O 3.43Å; M579-D816 HydrophobicContact CB-CB 4.14Å; M579-D816 HydrophobicContact CE-CB 3.94Å; M579-D816 WeakPolarHBondContact CE-OD1 3.18Å; M579-D816 HydrophobicContact CG-CB 3.71Å; M579-D816 HydrophobicContact SD-CB 3.69Å
817S26.4Very low25.9Very low70 Ų70122.7 Ų122.749%0.4974%0.736SS.*  trans-155.4138.9173.1-57.50000109.1F583F583-S817 WeakPolarHBondContact CD2-OG 3.11Å
818S28.8Very low26Very low78 Ų78125.9 Ų125.955%0.54574%0.736SS.*  trans-154.3118.5173.7-77.30000113.4
819S27.8Very low26Very low114 Ų114121.4 Ų121.480%0.79773%0.726SS**  trans4.1147.6135.756.70000120.1
820S27.9Very low25.9Very low120 Ų120114.9 Ų114.984%0.83972%0.718SS**  trans-123.9132.2143.458.50000112.6
821S28.4Very low26Very low113 Ų113119.6 Ų119.679%0.7972%0.721SS**  trans-135.4167.1140.674.80000104.4
822S26Very low26.1Very low94 Ų94119.3 Ų119.366%0.65772%0.717SS**  cis-160.6-179.810.725.60000107.1
823S26.5Very low26Very low123 Ų123122.6 Ų122.686%0.8673%0.73SS**  trans-123.2146.6160.5-71.40000110.3
824D24Very low26Very low143 Ų143120.3 Ų120.377%0.76572%0.72SS**  trans-93168.8-169.3-50.9-70.3000114
825S25.2Very low26Very low124 Ų124125.7 Ų125.787%0.86775%0.75SS**  trans-159.4132.4159.9-73.70000110
826D25.4Very low26.2Very low162 Ų162125.9 Ų125.987%0.86675%0.752SS**  trans-100156.8-176.8-74.4-52.8000114
827E25.4Very low26.2Very low184 Ų184128.2 Ų128.286%0.8677%0.773SS**  trans-128.8157.8167.5-80.4-174.3175.900107.4
828E28.6Very low26.3Very low161 Ų161134.2 Ų134.275%0.75279%0.793SS**  cis-166.6-170.610.6-123-94.3-131.300110.5
829E26.9Very low26.2Very low165 Ų165136.5 Ų136.577%0.77180%0.804SS**  trans82.4138.2157.3-79.3-157.8-163.500122
830G25.3Very low26.4Very low71 Ų71136.2 Ų136.273%0.73280%0.797SS**  trans-161.9-38.5-179.800000123.5
831K25.8Very low26.5Very low189 Ų189135.4 Ų135.482%0.82279%0.788SS**  trans61.6155.8-176.4-65168.8170.6127.40116.1
832T24.7Very low26.8Very low123 Ų123134.2 Ų134.276%0.75578%0.775SS**  cis-157.3151.13445.70000115.2
833E25.1Very low27.1Very low181 Ų181137.1 Ų137.185%0.84678%0.779SS**  trans52.8111.8142.4-64.7-161.6146.600125.7
834S25Very low27.4Very low102 Ų102135.1 Ų135.171%0.71376%0.761SS**  106.2152.6116.379.80000123.8
835T23.4Very low27.9Very low144 Ų144134.3 Ų134.388%0.88376%0.756SS**  trans88.8163171.772.60000118.4
836S28.8Very low28.2Very low118 Ų118133 Ų13383%0.82574%0.743SS**  trans-139.3141.2-142.758.60000115.8
837S25.6Very low28.6Very low114 Ų114130 Ų13080%0.79773%0.73SS**  trans-151.5151.1160.253.40000111.6
838E27.1Very low29.2Very low195 Ų195125.2 Ų125.291%0.91173%0.73SS**  trans-95.9138.2175.3-62.8176.5148.200110
839T28.5Very low29.7Very low126 Ų126123.1 Ų123.177%0.77374%0.741SS**  trans-130.7131174530000111.2
840V30.3Very low30Very low109 Ų109117.2 Ų117.266%0.66172%0.724SS**  trans-113.6123.2179.1178.20000109.2
841T31.5Very low30.4Very low103 Ų103122 Ų12263%0.63273%0.725SS**  trans-104.4143.7177.344.80000111.5
842T33Very low30.9Very low87 Ų87120.6 Ų120.653%0.53472%0.721SS.*  trans-140.6118.3175.658.40000109.8R855T842-R855 HydrophobicContact CG2-CG 4.14Å
843E33.6Very low31.4Very low156 Ų156119.3 Ų119.373%0.72971%0.713SS**  trans-109.1158.4177.7-63.8-170.715300111.1
844T32.9Very low32Very low80 Ų80115.3 Ų115.349%0.49170%0.696SS.*  trans-135105.2179.5-62.30000109.2
845I34.8Very low32.6Very low126 Ų126117.5 Ų117.565%0.64669%0.689SS**  trans-84.9134.3179.5-58.2176.1000108.4T847I845-T847 HydrophobicContact CG2-CG2 4.48Å
846T29.9Very low33.1Very low97 Ų97113.9 Ų113.960%0.59566%0.664SS**EExtended strand (participates in β ladder)trans-120.4108.5178.9-49.20000110
847T34.5Very low33.5Very low98 Ų98112.2 Ų112.260%0.60165%0.649SS**EExtended strand (participates in β ladder)trans-105.9157.217149.70000110.5I845 A849 G850I845-T847 HydrophobicContact CG2-CG2 4.48Å; T847-A849 PolarHBondContact O-N 3.15Å; T847-A849 VanDerWaalsContact O-N 3.15Å; T847-G850 PolarHBondContact O-N 3.44Å
848G37.9Very low34.2Very low84 Ų84111.8 Ų111.887%0.86664%0.641SS**THydrogen-bonded Turntrans-57.1120.6179.800000111.5
849A38.5Very low34.5Very low118 Ų118108 Ų10898%0.97563%0.628SS**THydrogen-bonded Turntrans74.633-17700000117.6T847T847-A849 PolarHBondContact O-N 3.15Å; T847-A849 VanDerWaalsContact O-N 3.15Å
850G34.5Very low35.1Very low40 Ų40107.1 Ų107.141%0.41263%0.632SS.*EExtended strand (participates in β ladder)trans-168.4153.416300000114.7T847T847-G850 PolarHBondContact O-N 3.44Å
851K33.9Very low35.4Very low172 Ų172110.4 Ų110.475%0.74864%0.638SS**EExtended strand (participates in β ladder)trans-126.9113.8162.8-74.7-166.1175.9-166.50108.8
852E35.6Very low35.9Very low159 Ų159112.7 Ų112.774%0.74365%0.646SS**  trans-116.6145.5165-67.6-167.3144.900108.9
853T35.6Very low36.2Very low97 Ų97117.7 Ų117.760%0.59566%0.664SS**  trans-121.1113.6179.5-55.20000108.1
854I38Very low36.2Very low96 Ų96120.1 Ų120.149%0.49267%0.666SS.*  trans-97.9132.3179.7-58.8177.8000108.6F867I854-F867 HydrophobicContact CG2-CD1 3.7Å; I854-F867 HydrophobicContact CG2-CE1 3.97Å
855R36.2Very low36.2Very low148 Ų148119 Ų11956%0.55866%0.664SS**  trans-104.9135.8169-74.9-178.7169.1153.4-3.6109.7T842T842-R855 HydrophobicContact CG2-CG 4.14Å
856L34.3Very low36.1Very low69 Ų69116.9 Ų116.936%0.36166%0.658SS.*EExtended strand (participates in β ladder)trans-113.3135.2171-93.4160.5000108.9A865 F867L856-A865 HydrophobicContact CD2-CB 4.17Å; L856-F867 HydrophobicContact CD1-CE1 3.99Å; L856-F867 HydrophobicContact CD1-CZ 4.39Å; L856-F867 HydrophobicContact CD2-CD1 4.09Å; L856-F867 HydrophobicContact CD2-CE1 3.63Å; L856-F867 HydrophobicContact CD2-CE2 4.41Å; L856-F867 HydrophobicContact CD2-CZ 3.82Å; L856-F867 HydrophobicContact CG-CD1 4.22Å; L856-F867 HydrophobicContact CG-CE1 3.72Å; L856-F867 HydrophobicContact CG-CZ 4.32Å
857T38.3Very low36.3Very low83 Ų83119 Ų11951%0.50966%0.659SS.*EExtended strand (participates in β ladder)trans-134.4142.416744.80000109.1
858V39.2Very low36.2Very low104 Ų104118.8 Ų118.863%0.6366%0.657SS**EExtended strand (participates in β ladder)trans-125.1120.8-179.9-178.90000107.7
859D34.1Very low35.9Very low117 Ų117120.5 Ų120.563%0.62666%0.656SS**  trans-85.9115.6172.1-175.7-31.6000108.4K861D859-K861 PolarHBondContact O-N 3.23Å; D859-K861 PolarHBondContact OD1-N 3.28Å
860A39.7Very low35.5Very low106 Ų106123.4 Ų123.488%0.87665%0.65SS**THydrogen-bonded Turntrans-71.319.7-17100000114.8
861K37.1Very low35.1Very low179 Ų179125 Ų12578%0.77867%0.667SS**THydrogen-bonded Turntrans-122.70.3-176.1-144166-169.1164.40115.8D859D859-K861 PolarHBondContact O-N 3.23Å; D859-K861 PolarHBondContact OD1-N 3.28Å
862N43.1Very low34.7Very low151 Ų151124.7 Ų124.781%0.80767%0.673SS**SBendtrans-15614.8-179.7-104.2-22.7000114.9R864N862-R864 PolarHBondContact O-N 2.87Å
863E37.6Very low34.3Very low192 Ų192125.6 Ų125.690%0.89767%0.674SS**  trans42.355.9172.9-64.5-171165.300115.7
864R34.3Very low34.1Very low207 Ų207126.6 Ų126.678%0.78168%0.68SS**  trans-144.2116.3175.9-155.9176-169.6-160.11.2112.3N862N862-R864 PolarHBondContact O-N 2.87Å
865A33.5Very low33.6Very low55 Ų55128.2 Ų128.246%0.45570%0.697SS.*EExtended strand (participates in β ladder)trans-68.9145.717300000111.4L856L856-A865 HydrophobicContact CD2-CB 4.17Å
866V33.1Very low33.4Very low83 Ų83128.5 Ų128.550%0.50371%0.708SS.*EExtended strand (participates in β ladder)trans-129.5131.1176-179.80000109.1T868V866-T868 HydrophobicContact CG1-CG2 4.36Å
867F33.2Very low32.9Very low140 Ų140133 Ų13361%0.61473%0.732SS**EExtended strand (participates in β ladder)trans-99.7137.3172.7-67.4-83.3000110.3I854 L856I854-F867 HydrophobicContact CG2-CD1 3.7Å; I854-F867 HydrophobicContact CG2-CE1 3.97Å; L856-F867 HydrophobicContact CD1-CE1 3.99Å; L856-F867 HydrophobicContact CD1-CZ 4.39Å; L856-F867 HydrophobicContact CD2-CD1 4.09Å; L856-F867 HydrophobicContact CD2-CE1 3.63Å; L856-F867 HydrophobicContact CD2-CE2 4.41Å; L856-F867 HydrophobicContact CD2-CZ 3.82Å; L856-F867 HydrophobicContact CG-CD1 4.22Å; L856-F867 HydrophobicContact CG-CE1 3.72Å; L856-F867 HydrophobicContact CG-CZ 4.32Å
868T32.8Very low32.3Very low94 Ų94131.8 Ų131.858%0.57774%0.737SS**  trans-131.8117.8175.356.30000111.2V866V866-T868 HydrophobicContact CG1-CG2 4.36Å
869S31.5Very low31.6Very low120 Ų120135.3 Ų135.384%0.83975%0.751SS**  trans-98.9115.8172.9570000110.8G871S869-G871 PolarHBondContact O-N 3.3Å
870E30.5Very low31.3Very low179 Ų179133.8 Ų133.884%0.83675%0.749SS**  trans-79.5104.2173.1-68.5-172.4116.500110.4
871G26.7Very low30.7Very low75 Ų75135.8 Ų135.877%0.77374%0.744SS**  trans-96.796.4175.500000112S869S869-G871 PolarHBondContact O-N 3.3Å
872D25.6Very low30.2Very low165 Ų165137.1 Ų137.188%0.88275%0.749SS**  trans-86.1155.7-175.5-153-2.6000113.7
873K26.1Very low29.4Very low177 Ų177137.5 Ų137.577%0.7775%0.747SS**  trans-113.7119.1-164.3-72.1178.6-179.4171.30114.5
874V31.2Very low28.9Very low119 Ų119135.7 Ų135.772%0.72174%0.735SS**  trans17.2123.5136.8-173.80000117.5I876V874-I876 HydrophobicContact CG1-CG1 3.93Å
875P28.1Very low28.4Very low129 Ų129131.4 Ų131.484%0.83873%0.728SS**  trans-103.2146.5134.733.2-30.4000111.7
876I30.8Very low28.1Very low155 Ų155138.7 Ų138.780%0.79575%0.75SS**  trans-94.9138.7-178.8-62.3157.9000109.1V874V874-I876 HydrophobicContact CG1-CG1 3.93Å
877D24.5Very low27.8Very low163 Ų163143.1 Ų143.187%0.87277%0.765SS**  trans-151.7159.2141.7-140.5-21.5000110.6
878G25.6Very low27.6Very low58 Ų58143.3 Ų143.360%0.59877%0.772SS**  trans-174.7154.9-178.500000115.8
879L25.4Very low27.5Very low178 Ų178145.6 Ų145.693%0.93278%0.776SS**  trans-165153.4169.2-91143.9000107.4
880S26.4Very low27.4Very low84 Ų84147.2 Ų147.259%0.58777%0.768SS**  cis167.1133.8-30.2-174.20000106.4
881I28.4Very low27.5Very low148 Ų148145.2 Ų145.276%0.75976%0.759SS**  trans62.9114.6159.3-61.8157.6000118.5
882K25.5Very low27.7Very low207 Ų207148.7 Ų148.790%0.975%0.753SS**  -152.7139.2108.7-131.8174.5-174.81770113.4
883E25.9Very low28.1Very low160 Ų160148.5 Ų148.575%0.74874%0.744SS**  trans-100.9173-178.5-50.3178.7130.300113.2
884K27.3Very low28.5Very low153 Ų153147.6 Ų147.667%0.66574%0.742SS**  trans101.3115.9140.8-79.9-170.3167.3-82.20121.6
885D25.6Very low28.4Very low118 Ų118144.8 Ų144.863%0.63174%0.738SS**  51.6116.6124-45-10.1000119.4
886K25.6Very low28.5Very low208 Ų208147 Ų14790%0.90474%0.742SS**  -168.3139.8106.2-111.7-177.1179.3-168.30116.4
887E26.7Very low28.3Very low175 Ų175142.9 Ų142.982%0.81874%0.738SS**  trans-72.9167.4153.3-63.8155.8125.200108.8
888D29.1Very low28.6Very low144 Ų144140.6 Ų140.677%0.7774%0.735SS**  -178174.370.5-143.5-19.9000114
889E31.9Very low28.9Very low142 Ų142142.8 Ų142.866%0.66474%0.741SS**  trans-46164-179.4-58.9-173.2127.300118.5
890K29.7Very low29.2Very low154 Ų154140 Ų14067%0.6773%0.731SS**  -179.5140.573.8-123166.5-171.770.30117.3
891E31.6Very low29.4Very low137 Ų137141.6 Ų141.664%0.6474%0.737SS**  trans55.6154.6143.1-78.9-168.3131.700121.7
892K30.2Very low29.4Very low148 Ų148140.5 Ų140.564%0.64374%0.738SS**  cis-160.5146.412-133.9160.5-177.5127.60112.5
893K35.7Very low29.5Very low161 Ų161134.7 Ų134.770%0.773%0.728SS**  trans32.2147.2140.9-73.2177.7159.1-149.80121.6
894H32.9Very low29.7Very low159 Ų159132.5 Ų132.574%0.73673%0.731SS**  cis-154.9166.712.7-98.7-53.8000108.4
895G29.2Very low30.8Very low60 Ų60130.6 Ų130.662%0.61973%0.734SS**  cis164.8162.6-3.500000113.2
896N30.2Very low31Very low175 Ų175131 Ų13194%0.93674%0.741SS**  trans67.4136.8176.1-63.82.9000118.4
897G27.7Very low31.3Very low69 Ų69128.2 Ų128.271%0.71174%0.736SS**  cis173.5156.4-11.100000116.5
898S30.4Very low31.4Very low115 Ų115129.3 Ų129.380%0.80474%0.741SS**  trans66125.1170.1-740000118.8
899S32Very low31.6Very low103 Ų103128.2 Ų128.272%0.7274%0.744SS**  cis91.5138.146.8-68.70000112.8
900T30.3Very low31.5Very low119 Ų119126.5 Ų126.573%0.7376%0.755SS**  cis-172148.21.921.30000112.2
901V30.6Very low31.7Very low118 Ų118126.5 Ų126.572%0.71576%0.762SS**  trans76107.2132.8172.20000123.1
902T28.5Very low31.6Very low126 Ų126125.4 Ų125.477%0.77377%0.765SS**  trans54.9138.9133.672.30000126.6
903A28.1Very low31.5Very low84 Ų84126.6 Ų126.669%0.69477%0.77SS**  trans78.2113.4134.400000122.7
904S30.4Very low31.3Very low115 Ų115126.9 Ų126.980%0.80477%0.774SS**  35.6157106.7-47.80000121.8
905P50.6Low31Very low113 Ų113128.1 Ų128.173%0.73478%0.779SS**  cis-141-166.7-13.928.7-2.9000115.2
906T29.8Very low31.2Very low127 Ų127133 Ų13378%0.77979%0.788SS**  trans98.7133.6143.6-48.10000120.7
907N31.8Very low31.1Very low148 Ų148133.9 Ų133.979%0.79179%0.787SS**  trans-53.5154.1176-51.7-17.1000116.2
908Q28.9Very low31.5Very low199 Ų199136 Ų13693%0.9379%0.791SS**  -159.8160.3112.8-111.5174.519.800112.7
909S32.6Very low32.7Very low120 Ų120136.7 Ų136.784%0.83979%0.792SS**  trans-115.2152.3-176480000112
910A29.8Very low33.2Very low106 Ų106135.7 Ų135.788%0.87679%0.79SS**  trans-154.6138.3164.400000110.6
911D33.7Very low33.8Very low155 Ų155137.9 Ų137.983%0.82980%0.798SS**  trans-100.2-176.5178.2-154-34.5000110.3
912V29.9Very low33.8Very low114 Ų114135.7 Ų135.769%0.69180%0.799SS**  trans138.4103.7145.3171.30000115
913K29.2Very low35.9Very low172 Ų172136 Ų13675%0.74880%0.803SS**  trans60139137.7-62-179-176-177.50120.6
914Q31.3Very low36.5Very low168 Ų168140.1 Ų140.179%0.78584%0.837SS**  cis101.6106.623.5-176.3-171.134.700114
915E27Very low36.8Very low184 Ų184141.4 Ų141.486%0.8684%0.839SS**  trans162.3162.4144.1-94.3-173.3161.800109.2
916M32.5Very low36Very low162 Ų162142.9 Ų142.980%0.79884%0.844SS**  cis179.5124-43.1-178.6179.4-163.700107.8
917Q28.1Very low36.4Very low195 Ų195143.8 Ų143.891%0.91185%0.848SS**  trans-173149.8155.4-111.9162.243.500114.5
918S35.1Very low36.7Very low113 Ų113143.5 Ų143.579%0.7985%0.851SS**  trans-125.2157.5173.4-43.60000109
919P57.3Low37.1Very low129 Ų129140.1 Ų140.184%0.83885%0.846SS**  -151.2-173.984.935.2-14.4000113.6
920A42.3Very low37.5Very low82 Ų82141.4 Ų141.468%0.67885%0.847SS**  cis-173.7170.8-35.300000109.5
921N43.1Very low38Very low166 Ų166143.9 Ų143.989%0.88885%0.845SS**  trans82.5137.9166.3-58.8-13.2000120.3
922G31Very low38.3Very low72 Ų72143.1 Ų143.174%0.74285%0.846SS**  trans-96.1-133.7172.800000113
923P70.8Confident39Very low133 Ų133145.5 Ų145.586%0.86486%0.859SS**  cis-121.5-164.417.847.2-33.7000111.8
924A40.9Very low39.9Very low170 Ų170143.1 Ų143.1100%1.40587%0.869SS**  cis-141.902.900000110.2

Retrieved 924 of 924 residues in 217.3 ms (Link to these results)

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