A0A077Z4W1_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z4W1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M39.3Very low58.8Low220 Ų22069.9 Ų69.9100%1.08443%0.428SS*.  062.80-73.417717200109.5
2G41.9Very low61.5Low72 Ų7265.3 Ų65.374%0.74240%0.399SS*.  trans-97.2-2.1-172.500000116.1
3G41.7Very low63.9Low47 Ų4769.4 Ų69.449%0.48541%0.41SS..SBendtrans-85.3-25.5-168.100000116.3G5 E7G3-G5 VanDerWaalsContact C-N 3.26Å; G3-G5 PolarHBondContact O-N 2.85Å; G3-E7 PolarHBondContact O-N 3.04Å
4G51.3Low66.1Low17 Ų1775.6 Ų75.618%0.17543%0.433CS..Hα-helixtrans-70.3-19.5-170.400000114.6A8 G32G4-A8 WeakPolarHBondContact O-CB 3.48Å; G4-A8 PolarHBondContact O-N 3.29Å; G4-G32 CarbonylContact C-O 3.53Å; G4-G32 WeakPolarHBondContact CA-O 3.41Å
5G53Low68Low7 Ų773.6 Ų73.67%0.07244%0.436CS..Hα-helixtrans-81.2-34.1-17800000114.9G3 E7 G9 G31 G32G3-G5 VanDerWaalsContact C-N 3.26Å; G3-G5 PolarHBondContact O-N 2.85Å; G5-E7 VanDerWaalsContact C-N 3.35Å; G5-G9 PolarHBondContact O-N 3.29Å; G5-G31 WeakPolarHBondContact CA-O 3.34Å; G5-G32 PolarHBondContact N-O 3.1Å
6E60.6Low69.8Low155 Ų15572.9 Ų72.972%0.72443%0.43SS*.Hα-helixtrans-66.2-42.1168.4-77.7-175150.200110.4G9 A10E6-G9 PolarHBondContact O-N 3Å; E6-A10 VanDerWaalsContact O-CB 3.27Å; E6-A10 WeakPolarHBondContact O-CB 3.4Å; E6-A10 PolarHBondContact O-N 2.79Å
7E67.8Low71.4Confident137 Ų13771.7 Ų71.764%0.6443%0.425SS*.Hα-helixtrans-59.3-48.2174.3-107.8-177.217000112.2G3 G5 A10 L11 L54G3-E7 PolarHBondContact O-N 3.04Å; G5-E7 VanDerWaalsContact C-N 3.35Å; E7-A10 PolarHBondContact O-N 3.44Å; E7-L11 PolarHBondContact O-N 3.12Å; E7-L54 HydrophobicContact CB-CD1 4.41Å
8A62.7Low72.8Confident0 Ų068 Ų680%040%0.403CS..Hα-helixtrans-63.1-47.2178.900000111.2G4 A10 L11 A35 Y37 L54G4-A8 WeakPolarHBondContact O-CB 3.48Å; G4-A8 PolarHBondContact O-N 3.29Å; A8-A10 PolarHBondContact O-N 3.08Å; A8-L11 WeakPolarHBondContact O-CB 3.38Å; A8-L11 PolarHBondContact O-N 2.89Å; A8-L11 VanDerWaalsContact O-N 3.1Å; A8-A35 HydrophobicContact CB-CB 4.32Å; A8-Y37 PolarHBondContact O-OH 3.34Å; A8-L54 HydrophobicContact CB-CD1 4.02Å; A8-L54 HydrophobicContact CB-CD2 4.33Å; A8-L54 HydrophobicContact CB-CG 4.04Å
9G66.3Low74Confident5 Ų568.4 Ų68.45%0.05240%0.403CS..Hα-helixtrans-67.7-19.9-179.700000114.7G5 E6 Y37G5-G9 PolarHBondContact O-N 3.29Å; E6-G9 PolarHBondContact O-N 3Å; G9-Y37 WeakPolarHBondContact CA-OH 3.38Å; G9-Y37 PolarHBondContact O-OH 2.69Å
10A77.1Confident75.1Confident55 Ų5571.9 Ų71.946%0.45542%0.42SS..THydrogen-bonded Turntrans-92.9-1.8174.500000113.2E6 E7 A8 H13E6-A10 VanDerWaalsContact O-CB 3.27Å; E6-A10 WeakPolarHBondContact O-CB 3.4Å; E6-A10 PolarHBondContact O-N 2.79Å; E7-A10 PolarHBondContact O-N 3.44Å; A8-A10 PolarHBondContact O-N 3.08Å; A10-H13 PolarHBondContact O-CE1 2.89Å
11L85.5Confident76.2Confident54 Ų5471 Ų7128%0.28341%0.41SS..SBendtrans-73-32.1-175.4-157.389.8000112.9E7 A8 I52 L54 Y92E7-L11 PolarHBondContact O-N 3.12Å; A8-L11 WeakPolarHBondContact O-CB 3.38Å; A8-L11 PolarHBondContact O-N 2.89Å; A8-L11 VanDerWaalsContact O-N 3.1Å; L11-I52 HydrophobicContact CB-CD1 4.3Å; L11-I52 HydrophobicContact CD2-CD1 4.01Å; L11-L54 HydrophobicContact CD1-CD2 4.17Å; L11-L54 HydrophobicContact CD2-CD2 4.22Å; L11-Y92 HydrophobicContact CD2-CD1 3.16Å; L11-Y92 HydrophobicContact CD2-CD2 4.44Å; L11-Y92 HydrophobicContact CD2-CE1 3.66Å; L11-Y92 HydrophobicContact CD2-CG 3.6Å; L11-Y92 HydrophobicContact CG-CD1 4.48Å
12L90.6Very high79Confident15 Ų1561.1 Ų61.18%0.07936%0.36CS..SBendtrans-127.5137.5178.1-63.8173.2000109.5D16 V18 V24 Y37 M50 I52 Y92L12-D16 HydrophobicContact CD2-CB 4.48Å; L12-V18 HydrophobicContact CD1-CG2 4.04Å; L12-V18 HydrophobicContact CD2-CG2 4.12Å; L12-V24 HydrophobicContact CB-CG2 4.23Å; L12-V24 HydrophobicContact CD1-CG2 4.29Å; L12-Y37 HydrophobicContact CB-CE1 3.89Å; L12-Y37 HydrophobicContact CB-CE2 4.42Å; L12-Y37 HydrophobicContact CD1-CD2 4.38Å; L12-Y37 HydrophobicContact CD1-CE2 4.12Å; L12-Y37 WeakPolarHBondContact O-CE1 3.32Å; L12-M50 HydrophobicContact CD1-SD 4.29Å; L12-I52 HydrophobicContact CD1-CG2 4.31Å; L12-Y92 HydrophobicContact CD1-CE2 4.35Å
13H92.5Very high81.7Confident118 Ų11861 Ų6155%0.54634%0.341SS..  trans-112.3158.7180-57.885.5000111.1A10 G15 D16 V24A10-H13 PolarHBondContact O-CE1 2.89Å; H13-G15 PolarHBondContact O-N 2.76Å; H13-D16 PolarHBondContact N-OD2 2.86Å; H13-D16 IonicContact ND1-OD2 3.38Å; H13-D16 VanDerWaalsContact O-CB 3.26Å; H13-D16 WeakPolarHBondContact O-CB 3.36Å; H13-D16 PolarHBondContact O-N 2.53Å; H13-V24 WeakPolarHBondContact O-CB 3.23Å; H13-V24 WeakPolarHBondContact O-CG1 3.45Å
14E94.9Very high84.3Confident156 Ų15658.8 Ų58.873%0.72932%0.318SS*.THydrogen-bonded Turntrans-53.8130.9170.7179.9174173.700110.5V24 E25E14-V24 WeakPolarHBondContact CA-O 3.47Å; E14-E25 WeakPolarHBondContact CG-O 3.3Å
15G95.1Very high86.5Confident46 Ų4660.4 Ų60.447%0.47432%0.321SS..THydrogen-bonded Turntrans90.8-15.9-174.400000115.3H13 V24H13-G15 PolarHBondContact O-N 2.76Å; G15-V24 PolarHBondContact N-O 3.34Å
16D96.5Very high88.5Confident63 Ų6365.1 Ų65.134%0.33734%0.34SS..  trans-62.3140.5175.2-75-19.9000110.5L12 H13 M23 V24L12-D16 HydrophobicContact CD2-CB 4.48Å; H13-D16 PolarHBondContact N-OD2 2.86Å; H13-D16 IonicContact ND1-OD2 3.38Å; H13-D16 VanDerWaalsContact O-CB 3.26Å; H13-D16 WeakPolarHBondContact O-CB 3.36Å; H13-D16 PolarHBondContact O-N 2.53Å; D16-M23 CarbonylContact O-C 3.55Å; D16-M23 WeakPolarHBondContact O-CA 3.2Å; D16-V24 HydrophobicContact CB-CG2 4.36Å; D16-V24 PolarHBondContact O-N 3.2Å
17C96.4Very high90.1Very high52 Ų5260.3 Ų60.335%0.35132%0.321SS..EExtended strand (participates in β ladder)trans-114.6116.5179-162.70000111.4W22 K42C17-W22 CarbonylContact C-O 3.53Å; C17-W22 WeakPolarHBondContact CA-O 3.33Å; C17-K42 VanDerWaalsContact SG-CE 3.58Å; C17-K42 PolarHBondContact SG-NZ 2.73Å
18V96.7Very high91.2Very high5 Ų555.6 Ų55.63%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-90.5127.7176.6-175.70000109.6L12 D20 R21 W22 M50 F94L12-V18 HydrophobicContact CD1-CG2 4.04Å; L12-V18 HydrophobicContact CD2-CG2 4.12Å; V18-D20 PolarHBondContact O-N 3.41Å; V18-R21 PolarHBondContact O-N 3.22Å; V18-R21 VanDerWaalsContact O-N 3.13Å; V18-W22 PolarHBondContact N-O 3.25Å; V18-W22 PolarHBondContact O-N 3.09Å; V18-M50 HydrophobicContact CB-CE 3.71Å; V18-M50 HydrophobicContact CB-SD 4.3Å; V18-M50 HydrophobicContact CG1-CE 3.99Å; V18-M50 HydrophobicContact CG1-SD 4.37Å; V18-M50 HydrophobicContact CG2-CE 3.94Å; V18-M50 HydrophobicContact CG2-SD 3.95Å; V18-F94 HydrophobicContact CG1-CD1 4.24Å; V18-F94 HydrophobicContact CG1-CE1 3.79Å; V18-F94 HydrophobicContact CG1-CE2 4.39Å; V18-F94 HydrophobicContact CG1-CZ 3.89Å
19D96Very high92.4Very high76 Ų7655.9 Ų55.941%0.40630%0.303SS..THydrogen-bonded Turntrans52.336.2178.9-78.2-27.5000114R21 W22 K89 F94D19-R21 PolarHBondContact O-N 3.27Å; D19-W22 HydrophobicContact CB-CE3 4.17Å; D19-W22 HydrophobicContact CB-CZ3 3.87Å; D19-K89 VanDerWaalsContact CG-NZ 3.34Å; D19-K89 IonicContact OD1-NZ 3.65Å; D19-K89 PolarHBondContact OD1-NZ 2.85Å; D19-K89 IonicContact OD2-NZ 3.53Å; D19-F94 WeakPolarHBondContact OD2-CZ 3.15Å
20D96.1Very high93.3Very high138 Ų13861.3 Ų61.374%0.73833%0.325SS*.THydrogen-bonded Turntrans51.122.2-178.4-62.2-49.3000113.9V18 K42V18-D20 PolarHBondContact O-N 3.41Å; D20-K42 VanDerWaalsContact C-CE 3.42Å; D20-K42 WeakPolarHBondContact O-CE 3.42Å; D20-K42 PolarHBondContact O-NZ 2.88Å
21R97.7Very high93.1Very high53 Ų5359.2 Ų59.220%0.231%0.308CS..THydrogen-bonded Turntrans-131-49.1-174.4-179.5174.9173-167.2-5.6113.1V18 D19 D41 K42 N43 F84V18-R21 PolarHBondContact O-N 3.22Å; V18-R21 VanDerWaalsContact O-N 3.13Å; D19-R21 PolarHBondContact O-N 3.27Å; R21-D41 IonicContact CZ-OD1 3.65Å; R21-D41 IonicContact CZ-OD2 3.63Å; R21-D41 IonicContact NE-OD1 3.33Å; R21-D41 PolarHBondContact NE-OD1 3.14Å; R21-D41 VanDerWaalsContact NE-OD1 3.1Å; R21-D41 IonicContact NE-OD2 3.72Å; R21-D41 PolarHBondContact NE-OD2 2.85Å; R21-D41 IonicContact NH2-OD1 3.63Å; R21-D41 IonicContact NH2-OD2 3.68Å; R21-D41 PolarHBondContact NH2-OD2 2.84Å; R21-K42 WeakPolarHBondContact O-CB 3.45Å; R21-K42 WeakPolarHBondContact O-CE 2.89Å; R21-K42 VanDerWaalsContact O-CG 3.31Å; R21-K42 WeakPolarHBondContact O-CG 3.35Å; R21-K42 PolarHBondContact O-N 2.81Å; R21-N43 WeakPolarHBondContact CD-ND2 3.21Å; R21-F84 PolarHBondContact NH1-O 2.94Å
22W98.3Very high92.3Very high13 Ų1357.1 Ų57.15%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-103109.9-172.9-60.1-71.3000109.9C17 V18 D19 V39 F40 D41 M50 F94 V96C17-W22 CarbonylContact C-O 3.53Å; C17-W22 WeakPolarHBondContact CA-O 3.33Å; V18-W22 PolarHBondContact N-O 3.25Å; V18-W22 PolarHBondContact O-N 3.09Å; D19-W22 HydrophobicContact CB-CE3 4.17Å; D19-W22 HydrophobicContact CB-CZ3 3.87Å; W22-V39 HydrophobicContact CB-CB 4.12Å; W22-V39 HydrophobicContact CB-CG2 4.09Å; W22-V39 HydrophobicContact CG-CG2 4.32Å; W22-F40 WeakPolarHBondContact CA-O 3.43Å; W22-D41 PolarHBondContact NE1-OD2 2.85Å; W22-D41 VanDerWaalsContact NE1-OD2 3.08Å; W22-M50 HydrophobicContact CB-CE 3.46Å; W22-M50 VanDerWaalsContact CB-CE 3.46Å; W22-M50 HydrophobicContact CD2-CE 4.17Å; W22-M50 HydrophobicContact CE3-CE 4.16Å; W22-M50 HydrophobicContact CG-CE 3.91Å; W22-F94 HydrophobicContact CE3-CE2 4.02Å; W22-F94 HydrophobicContact CE3-CZ 4.3Å; W22-F94 HydrophobicContact CH2-CE2 4.26Å; W22-F94 AromaticContact CZ3-CE2 3.67Å; W22-F94 HydrophobicContact CZ3-CE2 3.67Å; W22-F94 AromaticContact CZ3-CZ 3.8Å; W22-F94 HydrophobicContact CZ3-CZ 3.8Å; W22-V96 HydrophobicContact CD2-CG2 3.74Å; W22-V96 HydrophobicContact CE3-CG2 4.16Å; W22-V96 HydrophobicContact CG-CG1 4.48Å; W22-V96 HydrophobicContact CG-CG2 4.08Å; W22-V96 HydrophobicContact CH2-CG2 4.41Å; W22-V96 HydrophobicContact CZ2-CB 4.24Å; W22-V96 HydrophobicContact CZ2-CG2 4.02Å; W22-V96 HydrophobicContact CZ3-CG2 4.48Å
23M98.3Very high91.5Very high68 Ų6860.7 Ų60.734%0.33532%0.315SS..EExtended strand (participates in β ladder)trans-86.6128.1175.4-175.4173.6-68.600109.1D16 V39 F40D16-M23 CarbonylContact O-C 3.55Å; D16-M23 WeakPolarHBondContact O-CA 3.2Å; M23-V39 CarbonylContact O-C 3.58Å; M23-V39 WeakPolarHBondContact O-CA 3.46Å; M23-V39 WeakPolarHBondContact O-CB 3.5Å; M23-F40 HydrophobicContact CB-CB 4.43Å; M23-F40 PolarHBondContact N-O 3.43Å; M23-F40 PolarHBondContact O-N 2.98Å
24V97.8Very high91.1Very high2 Ų255.3 Ų55.31%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-76.3127.4179.41770000109.5L12 H13 E14 G15 D16 Y37 V39L12-V24 HydrophobicContact CB-CG2 4.23Å; L12-V24 HydrophobicContact CD1-CG2 4.29Å; H13-V24 WeakPolarHBondContact O-CB 3.23Å; H13-V24 WeakPolarHBondContact O-CG1 3.45Å; E14-V24 WeakPolarHBondContact CA-O 3.47Å; G15-V24 PolarHBondContact N-O 3.34Å; D16-V24 HydrophobicContact CB-CG2 4.36Å; D16-V24 PolarHBondContact O-N 3.2Å; V24-Y37 HydrophobicContact CG1-CD1 3.65Å; V24-Y37 HydrophobicContact CG1-CE1 4.35Å; V24-Y37 HydrophobicContact CG1-CG 4.28Å; V24-V39 HydrophobicContact CG2-CG1 4.21Å
25E97.2Very high90.9Very high50 Ų5047.9 Ų47.923%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-103.1-53.2-178.8-65.2-75.4154.300110.4E14 E38 F40 Y47E14-E25 WeakPolarHBondContact CG-O 3.3Å; E25-E38 HydrophobicContact CB-CB 4.48Å; E25-E38 WeakPolarHBondContact CB-O 3.29Å; E25-E38 PolarHBondContact N-O 2.69Å; E25-F40 HydrophobicContact CG-CB 4.19Å; E25-Y47 HydrophobicContact CG-CD1 4.07Å; E25-Y47 HydrophobicContact CG-CE1 3.69Å
26K94.7Very high90.8Very high106 Ų10645.7 Ų45.746%0.46123%0.234SC..EExtended strand (participates in β ladder)trans-158.4159.2178.261.6-177.5176.2-165.40111.4Y37 E38K26-Y37 CarbonylContact O-C 3.41Å; K26-Y37 VanDerWaalsContact O-CA 3.3Å; K26-Y37 WeakPolarHBondContact O-CA 3.3Å; K26-E38 VanDerWaalsContact CE-CD 3.41Å; K26-E38 WeakPolarHBondContact CE-OE2 3.3Å; K26-E38 HydrophobicContact CG-CB 3.89Å; K26-E38 PolarHBondContact N-O 3.07Å; K26-E38 IonicContact NZ-OE1 3.64Å; K26-E38 IonicContact NZ-OE2 3.57Å; K26-E38 PolarHBondContact NZ-OE2 3.31Å; K26-E38 PolarHBondContact O-N 2.81Å
27V93.7Very high90.8Very high54 Ų5442.7 Ų42.733%0.32722%0.218SC..EExtended strand (participates in β ladder)trans-74.1132.1167.1179.40000109.2K30 Y37V27-K30 HydrophobicContact CG1-CD 4.35Å; V27-K30 HydrophobicContact CG1-CG 3.7Å; V27-Y37 HydrophobicContact CB-CD1 4.47Å; V27-Y37 HydrophobicContact CG2-CD1 3.76Å; V27-Y37 HydrophobicContact CG2-CE1 3.46Å; V27-Y37 VanDerWaalsContact CG2-CE1 3.46Å
28L91.8Very high90.8Very high39 Ų3941 Ų4120%0.20421%0.205CC..EExtended strand (participates in β ladder)trans-93.4-44.3171.7-65.8176.5000111.4V36 E38 L99 D333L28-V36 HydrophobicContact CB-CB 4.49Å; L28-V36 HydrophobicContact CB-CG1 4.37Å; L28-V36 HydrophobicContact CD1-CG1 4.15Å; L28-V36 PolarHBondContact N-O 3.34Å; L28-E38 HydrophobicContact CD1-CB 4.05Å; L28-E38 HydrophobicContact CD2-CB 4.05Å; L28-E38 HydrophobicContact CG-CB 4.01Å; L28-L99 HydrophobicContact CD1-CD1 3.57Å; L28-D333 WeakPolarHBondContact O-CB 3.28Å
29G88.2Confident90.9Very high6 Ų640.8 Ų40.86%0.06220%0.204CC..EExtended strand (participates in β ladder)trans-153.1152.3-177.800000112.6A35 V36G29-A35 WeakPolarHBondContact O-CA 3.45Å; G29-V36 PolarHBondContact N-O 3.32Å; G29-V36 PolarHBondContact O-N 3.25Å
30K84.2Confident91Very high119 Ų11939.5 Ų39.552%0.51720%0.195SC..EExtended strand (participates in β ladder)trans-129.9133.1174.8-57.6-177.4-178.2-173.90108.5V27V27-K30 HydrophobicContact CG1-CD 4.35Å; V27-K30 HydrophobicContact CG1-CG 3.7Å
31G73.5Confident91.1Very high10 Ų1032.9 Ų32.910%0.10316%0.16CC..EExtended strand (participates in β ladder)trans-127.8169.9170.800000109.2G5 F33 G34 M335G5-G31 WeakPolarHBondContact CA-O 3.34Å; G31-F33 PolarHBondContact O-N 3.2Å; G31-G34 PolarHBondContact N-O 3.4Å; G31-G34 PolarHBondContact O-N 2.93Å; G31-M335 VanDerWaalsContact CA-CE 3.43Å
32G68.5Low91.1Very high11 Ų1133.5 Ų33.511%0.11316%0.164CC..THydrogen-bonded Turntrans-56-14.3-172.200000115.4G4 G5 E338G4-G32 CarbonylContact C-O 3.53Å; G4-G32 WeakPolarHBondContact CA-O 3.41Å; G5-G32 PolarHBondContact N-O 3.1Å; G32-E338 VanDerWaalsContact N-CD 3.35Å; G32-E338 PolarHBondContact N-OE1 3.07Å; G32-E338 PolarHBondContact N-OE2 3.2Å; G32-E338 VanDerWaalsContact N-OE2 3.08Å
33F72.3Confident91Very high89 Ų8938.2 Ų38.239%0.3919%0.19SC..THydrogen-bonded Turntrans-135-0.5-168.3-63.5-54.4000115.3G31 L54 Q57G31-F33 PolarHBondContact O-N 3.2Å; F33-L54 PolarHBondContact O-N 3.01Å; F33-Q57 VanDerWaalsContact CB-OE1 3.23Å; F33-Q57 VanDerWaalsContact CD1-CD 3.46Å; F33-Q57 HydrophobicContact CD1-CG 4.32Å; F33-Q57 VanDerWaalsContact CD1-NE2 3.32Å; F33-Q57 PolarHBondContact O-NE2 3.1Å
34G85.3Confident90.9Very high5 Ų538.8 Ų38.85%0.05219%0.194CC..EExtended strand (participates in β ladder)trans-169.5176.9-174.100000112.1G31 I52 M335G31-G34 PolarHBondContact N-O 3.4Å; G31-G34 PolarHBondContact O-N 2.93Å; G34-I52 WeakPolarHBondContact CA-O 3.18Å; G34-M335 WeakPolarHBondContact O-CE 3.22Å
35A90.9Very high90.9Very high0 Ų045.4 Ų45.40%022%0.222CC..EExtended strand (participates in β ladder)trans-145.6155.8175.700000109.5A8 G29 Y37 I52A8-A35 HydrophobicContact CB-CB 4.32Å; G29-A35 WeakPolarHBondContact O-CA 3.45Å; A35-Y37 HydrophobicContact CB-CD2 4.48Å; A35-Y37 HydrophobicContact CB-CE2 3.63Å; A35-I52 HydrophobicContact CB-CD1 4.4Å; A35-I52 HydrophobicContact CB-CG1 4.13Å; A35-I52 PolarHBondContact N-O 2.8Å; A35-I52 PolarHBondContact O-N 2.85Å
36V93.5Very high90.8Very high0 Ų049.5 Ų49.50%024%0.24CC..EExtended strand (participates in β ladder)trans-119137.1169.5-177.10000109.1L28 G29 A49 M50 K51 D333 M334 M335L28-V36 HydrophobicContact CB-CB 4.49Å; L28-V36 HydrophobicContact CB-CG1 4.37Å; L28-V36 HydrophobicContact CD1-CG1 4.15Å; L28-V36 PolarHBondContact N-O 3.34Å; G29-V36 PolarHBondContact N-O 3.32Å; G29-V36 PolarHBondContact O-N 3.25Å; V36-A49 HydrophobicContact CG1-CB 4.19Å; V36-M50 CarbonylContact C-O 3.58Å; V36-M50 VanDerWaalsContact CA-O 3.31Å; V36-M50 WeakPolarHBondContact CA-O 3.39Å; V36-K51 HydrophobicContact CG2-CB 3.88Å; V36-K51 HydrophobicContact CG2-CD 4.3Å; V36-K51 HydrophobicContact CG2-CG 3.78Å; V36-D333 WeakPolarHBondContact CB-O 3.37Å; V36-M334 HydrophobicContact CB-CB 4.43Å; V36-M334 HydrophobicContact CG1-CB 3.99Å; V36-M334 HydrophobicContact CG2-CB 4.07Å; V36-M335 HydrophobicContact CB-SD 4.32Å; V36-M335 HydrophobicContact CG2-CG 4.15Å; V36-M335 HydrophobicContact CG2-SD 3.59Å; V36-M335 VanDerWaalsContact CG2-SD 3.59Å
37Y95.6Very high90.9Very high0 Ų049.8 Ų49.80%024%0.238CC..EExtended strand (participates in β ladder)trans-119.7144.9180-57.8-95.8000110.1A8 G9 L12 V24 K26 V27 A35 A49 M50 I52A8-Y37 PolarHBondContact O-OH 3.34Å; G9-Y37 WeakPolarHBondContact CA-OH 3.38Å; G9-Y37 PolarHBondContact O-OH 2.69Å; L12-Y37 HydrophobicContact CB-CE1 3.89Å; L12-Y37 HydrophobicContact CB-CE2 4.42Å; L12-Y37 HydrophobicContact CD1-CD2 4.38Å; L12-Y37 HydrophobicContact CD1-CE2 4.12Å; L12-Y37 WeakPolarHBondContact O-CE1 3.32Å; V24-Y37 HydrophobicContact CG1-CD1 3.65Å; V24-Y37 HydrophobicContact CG1-CE1 4.35Å; V24-Y37 HydrophobicContact CG1-CG 4.28Å; K26-Y37 CarbonylContact O-C 3.41Å; K26-Y37 VanDerWaalsContact O-CA 3.3Å; K26-Y37 WeakPolarHBondContact O-CA 3.3Å; V27-Y37 HydrophobicContact CB-CD1 4.47Å; V27-Y37 HydrophobicContact CG2-CD1 3.76Å; V27-Y37 HydrophobicContact CG2-CE1 3.46Å; V27-Y37 VanDerWaalsContact CG2-CE1 3.46Å; A35-Y37 HydrophobicContact CB-CD2 4.48Å; A35-Y37 HydrophobicContact CB-CE2 3.63Å; Y37-A49 CarbonylContact O-C 3.54Å; Y37-A49 WeakPolarHBondContact O-CA 3.4Å; Y37-M50 PolarHBondContact N-O 3.28Å; Y37-M50 PolarHBondContact O-N 3.24Å; Y37-I52 HydrophobicContact CD2-CG2 4.38Å; Y37-I52 HydrophobicContact CE2-CD1 3.71Å; Y37-I52 HydrophobicContact CE2-CG1 3.93Å; Y37-I52 HydrophobicContact CE2-CG2 4.23Å
38E97.2Very high91.1Very high17 Ų1747.8 Ų47.88%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-77.4128.4157.6-166.9168.7122.300107E25 K26 L28 Y47 L99 R160E25-E38 HydrophobicContact CB-CB 4.48Å; E25-E38 WeakPolarHBondContact CB-O 3.29Å; E25-E38 PolarHBondContact N-O 2.69Å; K26-E38 VanDerWaalsContact CE-CD 3.41Å; K26-E38 WeakPolarHBondContact CE-OE2 3.3Å; K26-E38 HydrophobicContact CG-CB 3.89Å; K26-E38 PolarHBondContact N-O 3.07Å; K26-E38 IonicContact NZ-OE1 3.64Å; K26-E38 IonicContact NZ-OE2 3.57Å; K26-E38 PolarHBondContact NZ-OE2 3.31Å; K26-E38 PolarHBondContact O-N 2.81Å; L28-E38 HydrophobicContact CD1-CB 4.05Å; L28-E38 HydrophobicContact CD2-CB 4.05Å; L28-E38 HydrophobicContact CG-CB 4.01Å; E38-Y47 HydrophobicContact CG-CD1 4.15Å; E38-L99 HydrophobicContact CG-CD1 4.5Å; E38-L99 HydrophobicContact CG-CD2 3.76Å; E38-R160 IonicContact OE2-NH1 3.92Å
39V98.2Very high91.3Very high0 Ų045.9 Ų45.90%022%0.216CC..EExtended strand (participates in β ladder)trans-128.7140.4-179.8-60.20000110.7W22 M23 V24 Y47 E48 M50 V96W22-V39 HydrophobicContact CB-CB 4.12Å; W22-V39 HydrophobicContact CB-CG2 4.09Å; W22-V39 HydrophobicContact CG-CG2 4.32Å; M23-V39 CarbonylContact O-C 3.58Å; M23-V39 WeakPolarHBondContact O-CA 3.46Å; M23-V39 WeakPolarHBondContact O-CB 3.5Å; V24-V39 HydrophobicContact CG2-CG1 4.21Å; V39-Y47 CarbonylContact O-C 3.51Å; V39-Y47 VanDerWaalsContact O-CA 3.31Å; V39-Y47 WeakPolarHBondContact O-CA 3.27Å; V39-E48 HydrophobicContact CG2-CB 4.13Å; V39-E48 WeakPolarHBondContact CG2-O 3.45Å; V39-E48 PolarHBondContact N-O 3.05Å; V39-E48 PolarHBondContact O-N 2.83Å; V39-M50 HydrophobicContact CB-CB 4.46Å; V39-M50 HydrophobicContact CG1-CB 3.55Å; V39-M50 HydrophobicContact CG1-CE 4.1Å; V39-M50 HydrophobicContact CG1-SD 4.42Å; V39-M50 HydrophobicContact CG2-CB 3.98Å; V39-V96 HydrophobicContact CG2-CG1 4.12Å
40F98.4Very high91.7Very high49 Ų4945.6 Ų45.622%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-87.5117.5170.1-174-102.8000110.4W22 M23 E25 K42 K45 Y47W22-F40 WeakPolarHBondContact CA-O 3.43Å; M23-F40 HydrophobicContact CB-CB 4.43Å; M23-F40 PolarHBondContact N-O 3.43Å; M23-F40 PolarHBondContact O-N 2.98Å; E25-F40 HydrophobicContact CG-CB 4.19Å; F40-K42 HydrophobicContact CD1-CG 4.4Å; F40-K42 PolarHBondContact O-N 3.31Å; F40-K45 HydrophobicContact CE1-CD 4.19Å; F40-K45 HydrophobicContact CZ-CB 4.26Å; F40-K45 HydrophobicContact CZ-CD 4Å; F40-Y47 HydrophobicContact CB-CD1 4.14Å; F40-Y47 HydrophobicContact CB-CE1 4.03Å; F40-Y47 HydrophobicContact CD2-CD1 4.08Å; F40-Y47 AromaticContact CD2-CE1 3.86Å; F40-Y47 HydrophobicContact CD2-CE1 3.86Å; F40-Y47 HydrophobicContact CD2-CE2 4.32Å; F40-Y47 HydrophobicContact CD2-CG 4.4Å; F40-Y47 HydrophobicContact CG-CE1 4.4Å
41D98.2Very high92.2Very high0 Ų040.5 Ų40.50%019%0.191CC..EExtended strand (participates in β ladder)trans-78.4107.5173.4-170.1-38.8000109.9R21 W22 N43 L44 K45 K46 E48R21-D41 IonicContact CZ-OD1 3.65Å; R21-D41 IonicContact CZ-OD2 3.63Å; R21-D41 IonicContact NE-OD1 3.33Å; R21-D41 PolarHBondContact NE-OD1 3.14Å; R21-D41 VanDerWaalsContact NE-OD1 3.1Å; R21-D41 IonicContact NE-OD2 3.72Å; R21-D41 PolarHBondContact NE-OD2 2.85Å; R21-D41 IonicContact NH2-OD1 3.63Å; R21-D41 IonicContact NH2-OD2 3.68Å; R21-D41 PolarHBondContact NH2-OD2 2.84Å; W22-D41 PolarHBondContact NE1-OD2 2.85Å; W22-D41 VanDerWaalsContact NE1-OD2 3.08Å; D41-N43 PolarHBondContact O-N 3.14Å; D41-N43 VanDerWaalsContact O-N 3.16Å; D41-N43 WeakPolarHBondContact OD1-CA 3.46Å; D41-N43 WeakPolarHBondContact OD1-CB 2.99Å; D41-N43 PolarHBondContact OD1-N 3.45Å; D41-L44 HydrophobicContact CB-CB 4.18Å; D41-L44 PolarHBondContact O-N 3.16Å; D41-L44 PolarHBondContact OD1-N 3Å; D41-K45 VanDerWaalsContact O-CA 3.32Å; D41-K45 WeakPolarHBondContact O-CA 3.43Å; D41-K45 PolarHBondContact O-N 2.93Å; D41-K46 PolarHBondContact N-O 2.97Å; D41-E48 HydrophobicContact CB-CG 4.34Å
42K97.6Very high93.1Very high65 Ų6540.1 Ų40.128%0.28319%0.186SC..THydrogen-bonded Turntrans-62.5-22.1-179.2-68.8-175.7-58.8-1780113.5C17 D20 R21 F40 K45C17-K42 VanDerWaalsContact SG-CE 3.58Å; C17-K42 PolarHBondContact SG-NZ 2.73Å; D20-K42 VanDerWaalsContact C-CE 3.42Å; D20-K42 WeakPolarHBondContact O-CE 3.42Å; D20-K42 PolarHBondContact O-NZ 2.88Å; R21-K42 WeakPolarHBondContact O-CB 3.45Å; R21-K42 WeakPolarHBondContact O-CE 2.89Å; R21-K42 VanDerWaalsContact O-CG 3.31Å; R21-K42 WeakPolarHBondContact O-CG 3.35Å; R21-K42 PolarHBondContact O-N 2.81Å; F40-K42 HydrophobicContact CD1-CG 4.4Å; F40-K42 PolarHBondContact O-N 3.31Å; K42-K45 WeakPolarHBondContact O-CD 3.26Å; K42-K45 WeakPolarHBondContact O-CE 3.49Å; K42-K45 PolarHBondContact O-NZ 3.13Å
43N96.7Very high94.1Very high113 Ų11340.4 Ų40.460%0.60419%0.185SC*.THydrogen-bonded Turntrans-87.2-48.7-179.7-64.8-6.2000110.8R21 D41R21-N43 WeakPolarHBondContact CD-ND2 3.21Å; D41-N43 PolarHBondContact O-N 3.14Å; D41-N43 VanDerWaalsContact O-N 3.16Å; D41-N43 WeakPolarHBondContact OD1-CA 3.46Å; D41-N43 WeakPolarHBondContact OD1-CB 2.99Å; D41-N43 PolarHBondContact OD1-N 3.45Å
44L95.5Very high94.8Very high80 Ų8037 Ų3742%0.41917%0.17SC..THydrogen-bonded Turntrans-82.4-14.4-178.2-62.2179.4000113.5D41 K46 F84D41-L44 HydrophobicContact CB-CB 4.18Å; D41-L44 PolarHBondContact O-N 3.16Å; D41-L44 PolarHBondContact OD1-N 3Å; L44-K46 VanDerWaalsContact C-N 3.28Å; L44-K46 PolarHBondContact O-N 2.94Å; L44-F84 HydrophobicContact CD1-CD1 3.68Å; L44-F84 HydrophobicContact CD1-CE1 3.9Å; L44-F84 HydrophobicContact CD1-CG 4.37Å
45K96.6Very high94.8Very high140 Ų14038.4 Ų38.461%0.60918%0.177SC*.THydrogen-bonded Turntrans56.141.5-175.2-54.4-57.3-172.6-166.50112.5F40 D41 K42F40-K45 HydrophobicContact CE1-CD 4.19Å; F40-K45 HydrophobicContact CZ-CB 4.26Å; F40-K45 HydrophobicContact CZ-CD 4Å; D41-K45 VanDerWaalsContact O-CA 3.32Å; D41-K45 WeakPolarHBondContact O-CA 3.43Å; D41-K45 PolarHBondContact O-N 2.93Å; K42-K45 WeakPolarHBondContact O-CD 3.26Å; K42-K45 WeakPolarHBondContact O-CE 3.49Å; K42-K45 PolarHBondContact O-NZ 3.13Å
46K95.8Very high94.1Very high136 Ų13643.1 Ų43.159%0.59122%0.216SC*.EExtended strand (participates in β ladder)trans-138.4155.8-179.4-69-173.2-179.9-170.90110.9D41 L44D41-K46 PolarHBondContact N-O 2.97Å; L44-K46 VanDerWaalsContact C-N 3.28Å; L44-K46 PolarHBondContact O-N 2.94Å
47Y97.1Very high93.1Very high112 Ų11244.6 Ų44.644%0.43922%0.223SC..EExtended strand (participates in β ladder)trans-83.9134.8172.1-65.1-80.4000110.3E25 E38 V39 F40E25-Y47 HydrophobicContact CG-CD1 4.07Å; E25-Y47 HydrophobicContact CG-CE1 3.69Å; E38-Y47 HydrophobicContact CG-CD1 4.15Å; V39-Y47 CarbonylContact O-C 3.51Å; V39-Y47 VanDerWaalsContact O-CA 3.31Å; V39-Y47 WeakPolarHBondContact O-CA 3.27Å; F40-Y47 HydrophobicContact CB-CD1 4.14Å; F40-Y47 HydrophobicContact CB-CE1 4.03Å; F40-Y47 HydrophobicContact CD2-CD1 4.08Å; F40-Y47 AromaticContact CD2-CE1 3.86Å; F40-Y47 HydrophobicContact CD2-CE1 3.86Å; F40-Y47 HydrophobicContact CD2-CE2 4.32Å; F40-Y47 HydrophobicContact CD2-CG 4.4Å; F40-Y47 HydrophobicContact CG-CE1 4.4Å
48E97.3Very high91.7Very high12 Ų1252 Ų526%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-130.3168.5179.5-56.8-56.4169.200110.3V39 D41 F84 V96 T98 L99V39-E48 HydrophobicContact CG2-CB 4.13Å; V39-E48 WeakPolarHBondContact CG2-O 3.45Å; V39-E48 PolarHBondContact N-O 3.05Å; V39-E48 PolarHBondContact O-N 2.83Å; D41-E48 HydrophobicContact CB-CG 4.34Å; E48-F84 HydrophobicContact CB-CD2 4.39Å; E48-F84 HydrophobicContact CG-CD2 3.87Å; E48-F84 HydrophobicContact CG-CE2 4.01Å; E48-F84 WeakPolarHBondContact OE2-CE2 3.29Å; E48-V96 HydrophobicContact CB-CG1 3.66Å; E48-V96 HydrophobicContact CG-CG1 4.36Å; E48-T98 WeakPolarHBondContact OE2-CA 3.11Å; E48-L99 PolarHBondContact OE2-N 2.75Å
49A97.3Very high90.2Very high0 Ų059.2 Ų59.20%029%0.294CS..EExtended strand (participates in β ladder)trans-99.3123.917400000109.8V36 Y37 V96 M97 L99V36-A49 HydrophobicContact CG1-CB 4.19Å; Y37-A49 CarbonylContact O-C 3.54Å; Y37-A49 WeakPolarHBondContact O-CA 3.4Å; A49-V96 WeakPolarHBondContact O-CA 3.39Å; A49-M97 HydrophobicContact CB-CG 4.39Å; A49-M97 PolarHBondContact N-O 3.1Å; A49-M97 PolarHBondContact O-N 2.72Å; A49-L99 HydrophobicContact CB-CD1 3.95Å
50M96.6Very high88.9Confident0 Ų065.9 Ų65.90%032%0.319CS..EExtended strand (participates in β ladder)trans-103.3112.9170.2-175.9-178.7-66.500110.1L12 V18 W22 V36 Y37 V39 I52 F94 I95 V96L12-M50 HydrophobicContact CD1-SD 4.29Å; V18-M50 HydrophobicContact CB-CE 3.71Å; V18-M50 HydrophobicContact CB-SD 4.3Å; V18-M50 HydrophobicContact CG1-CE 3.99Å; V18-M50 HydrophobicContact CG1-SD 4.37Å; V18-M50 HydrophobicContact CG2-CE 3.94Å; V18-M50 HydrophobicContact CG2-SD 3.95Å; W22-M50 HydrophobicContact CB-CE 3.46Å; W22-M50 VanDerWaalsContact CB-CE 3.46Å; W22-M50 HydrophobicContact CD2-CE 4.17Å; W22-M50 HydrophobicContact CE3-CE 4.16Å; W22-M50 HydrophobicContact CG-CE 3.91Å; V36-M50 CarbonylContact C-O 3.58Å; V36-M50 VanDerWaalsContact CA-O 3.31Å; V36-M50 WeakPolarHBondContact CA-O 3.39Å; Y37-M50 PolarHBondContact N-O 3.28Å; Y37-M50 PolarHBondContact O-N 3.24Å; V39-M50 HydrophobicContact CB-CB 4.46Å; V39-M50 HydrophobicContact CG1-CB 3.55Å; V39-M50 HydrophobicContact CG1-CE 4.1Å; V39-M50 HydrophobicContact CG1-SD 4.42Å; V39-M50 HydrophobicContact CG2-CB 3.98Å; M50-I52 HydrophobicContact CG-CG2 4.16Å; M50-I52 HydrophobicContact SD-CG2 4.32Å; M50-F94 HydrophobicContact CE-CD2 4.14Å; M50-F94 HydrophobicContact CE-CE2 4.33Å; M50-F94 HydrophobicContact CG-CB 4.13Å; M50-F94 HydrophobicContact CG-CD2 4.15Å; M50-F94 HydrophobicContact CG-CG 4.47Å; M50-F94 HydrophobicContact SD-CB 4.3Å; M50-F94 HydrophobicContact SD-CD2 4.13Å; M50-F94 HydrophobicContact SD-CG 4.28Å; M50-I95 CarbonylContact C-O 3.57Å; M50-I95 VanDerWaalsContact CA-O 3.3Å; M50-I95 WeakPolarHBondContact CA-O 3.49Å; M50-V96 HydrophobicContact CB-CG2 4.24Å; M50-V96 HydrophobicContact CE-CG2 3.66Å; M50-V96 HydrophobicContact CG-CG2 4.06Å
51K93.7Very high88.1Confident11 Ų1166 Ų665%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-97.1129.7173.7-177174.8-174.4-178.50109.5V36 L62 E65 F94 I95 M97V36-K51 HydrophobicContact CG2-CB 3.88Å; V36-K51 HydrophobicContact CG2-CD 4.3Å; V36-K51 HydrophobicContact CG2-CG 3.78Å; K51-L62 HydrophobicContact CD-CD1 4.06Å; K51-L62 HydrophobicContact CG-CD1 4.17Å; K51-E65 IonicContact NZ-OE1 3.23Å; K51-E65 PolarHBondContact NZ-OE1 3.36Å; K51-E65 IonicContact NZ-OE2 2.74Å; K51-E65 PolarHBondContact NZ-OE2 2.99Å; K51-F94 CarbonylContact O-C 3.55Å; K51-F94 WeakPolarHBondContact O-CA 3.32Å; K51-I95 HydrophobicContact CB-CD1 4.37Å; K51-I95 HydrophobicContact CB-CG1 3.88Å; K51-I95 HydrophobicContact CD-CD1 4.47Å; K51-I95 PolarHBondContact N-O 2.94Å; K51-I95 PolarHBondContact O-N 3.33Å; K51-M97 HydrophobicContact CB-CE 4.05Å; K51-M97 HydrophobicContact CD-CE 4.14Å
52I92.2Very high87.4Confident3 Ų366.4 Ų66.42%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-116.8148.2177.576168.6000111.7L11 L12 G34 A35 Y37 M50 Y92 C93 F94L11-I52 HydrophobicContact CB-CD1 4.3Å; L11-I52 HydrophobicContact CD2-CD1 4.01Å; L12-I52 HydrophobicContact CD1-CG2 4.31Å; G34-I52 WeakPolarHBondContact CA-O 3.18Å; A35-I52 HydrophobicContact CB-CD1 4.4Å; A35-I52 HydrophobicContact CB-CG1 4.13Å; A35-I52 PolarHBondContact N-O 2.8Å; A35-I52 PolarHBondContact O-N 2.85Å; Y37-I52 HydrophobicContact CD2-CG2 4.38Å; Y37-I52 HydrophobicContact CE2-CD1 3.71Å; Y37-I52 HydrophobicContact CE2-CG1 3.93Å; Y37-I52 HydrophobicContact CE2-CG2 4.23Å; M50-I52 HydrophobicContact CG-CG2 4.16Å; M50-I52 HydrophobicContact SD-CG2 4.32Å; I52-Y92 HydrophobicContact CB-CD2 3.86Å; I52-Y92 HydrophobicContact CB-CE2 4.5Å; I52-Y92 HydrophobicContact CG2-CD2 3.77Å; I52-Y92 HydrophobicContact CG2-CE2 3.91Å; I52-C93 CarbonylContact C-O 3.57Å; I52-C93 VanDerWaalsContact CA-O 3.27Å; I52-C93 WeakPolarHBondContact CA-O 3.35Å; I52-F94 HydrophobicContact CG2-CB 3.84Å
53E89.9Confident87Confident17 Ų1771.2 Ų71.28%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-132131.2171.8-173176.6-141.200108.9R60 T61 L62 Y92 C93E53-R60 VanDerWaalsContact OE1-CA 3.23Å; E53-R60 WeakPolarHBondContact OE1-CA 3.36Å; E53-T61 PolarHBondContact OE1-N 3.25Å; E53-L62 HydrophobicContact CB-CB 4.14Å; E53-L62 HydrophobicContact CB-CD2 3.99Å; E53-L62 WeakPolarHBondContact OE2-CB 3.17Å; E53-L62 PolarHBondContact OE2-N 3.29Å; E53-L62 VanDerWaalsContact OE2-N 3.14Å; E53-Y92 CarbonylContact O-C 3.56Å; E53-Y92 VanDerWaalsContact O-CA 3.3Å; E53-Y92 WeakPolarHBondContact O-CA 3.36Å; E53-Y92 WeakPolarHBondContact O-CB 3.31Å; E53-C93 PolarHBondContact N-O 2.78Å; E53-C93 PolarHBondContact O-N 3.16Å
54L88.3Confident86.7Confident17 Ų1768.6 Ų68.69%0.08933%0.333CS..EExtended strand (participates in β ladder)trans-69.1137.1-177.8-63.9175.4000111.2E7 A8 L11 F33 A56E7-L54 HydrophobicContact CB-CD1 4.41Å; A8-L54 HydrophobicContact CB-CD1 4.02Å; A8-L54 HydrophobicContact CB-CD2 4.33Å; A8-L54 HydrophobicContact CB-CG 4.04Å; L11-L54 HydrophobicContact CD1-CD2 4.17Å; L11-L54 HydrophobicContact CD2-CD2 4.22Å; F33-L54 PolarHBondContact O-N 3.01Å; L54-A56 PolarHBondContact O-N 2.93Å
55N84.2Confident86.5Confident34 Ų3465 Ų6518%0.18231%0.314CS..THydrogen-bonded Turntrans-67.3-24.2-177.2-78.1-21000113.6Q57 K89 T90 S91 Y92 C93N55-Q57 PolarHBondContact O-N 2.8Å; N55-K89 PolarHBondContact ND2-O 3.08Å; N55-T90 PolarHBondContact ND2-O 2.85Å; N55-S91 WeakPolarHBondContact CB-O 3.26Å; N55-S91 PolarHBondContact N-O 3.35Å; N55-Y92 PolarHBondContact ND2-N 2.97Å; N55-C93 PolarHBondContact OD1-N 3.43Å; N55-C93 PolarHBondContact OD1-SG 2.91Å
56A77.2Confident86.4Confident100 Ų10059.3 Ų59.383%0.82629%0.291SS*.THydrogen-bonded Turntrans-73.311.1-173.600000114.3L54L54-A56 PolarHBondContact O-N 2.93Å
57Q70.7Confident86.4Confident30 Ų3056.1 Ų56.114%0.1428%0.282CS..  trans-108.6142.5-171.2-64.5179.617.100113.9F33 N55F33-Q57 VanDerWaalsContact CB-OE1 3.23Å; F33-Q57 VanDerWaalsContact CD1-CD 3.46Å; F33-Q57 HydrophobicContact CD1-CG 4.32Å; F33-Q57 VanDerWaalsContact CD1-NE2 3.32Å; F33-Q57 PolarHBondContact O-NE2 3.1Å; N55-Q57 PolarHBondContact O-N 2.8Å
58D67Low86.3Confident156 Ų15650.8 Ų50.883%0.83426%0.261SS*.SBendtrans-72.9-37.5177.7-69.9-31.5000112.4
59F65.1Low86.3Confident169 Ų16950.3 Ų50.374%0.74126%0.259SS*.  trans-104.597.4-177.5-72.8-79000110.7
60R71.6Confident86.3Confident139 Ų13956 Ų5653%0.52528%0.284SS..  trans-102111.5178.1-69.9175.9-69.6-165.6-7.3111.9E53E53-R60 VanDerWaalsContact OE1-CA 3.23Å; E53-R60 WeakPolarHBondContact OE1-CA 3.36Å
61T80.4Confident86.3Confident53 Ų5359.1 Ų59.133%0.32530%0.299SS..  trans-91.3-23.5177.159.60000112.2E53 K63 L64 E65E53-T61 PolarHBondContact OE1-N 3.25Å; T61-K63 PolarHBondContact O-N 2.86Å; T61-K63 VanDerWaalsContact O-N 3.16Å; T61-L64 WeakPolarHBondContact O-CB 3.05Å; T61-L64 PolarHBondContact O-N 2.79Å; T61-E65 PolarHBondContact O-N 3.45Å
62L85.4Confident86.5Confident7 Ų759 Ų594%0.03730%0.298CS..Hα-helixtrans-61-32.9-175.5-164.769000112.1K51 E53 L64 E65 V66 C93 I95K51-L62 HydrophobicContact CD-CD1 4.06Å; K51-L62 HydrophobicContact CG-CD1 4.17Å; E53-L62 HydrophobicContact CB-CB 4.14Å; E53-L62 HydrophobicContact CB-CD2 3.99Å; E53-L62 WeakPolarHBondContact OE2-CB 3.17Å; E53-L62 PolarHBondContact OE2-N 3.29Å; E53-L62 VanDerWaalsContact OE2-N 3.14Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.03Å; L62-E65 PolarHBondContact O-N 2.9Å; L62-V66 WeakPolarHBondContact O-CB 3.33Å; L62-V66 VanDerWaalsContact O-CG2 3.26Å; L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 3.19Å; L62-C93 HydrophobicContact CD2-CB 4.04Å; L62-I95 HydrophobicContact CD1-CD1 3.72Å; L62-I95 HydrophobicContact CD1-CG1 3.93Å; L62-I95 HydrophobicContact CD1-CG2 4.1Å; L62-I95 HydrophobicContact CD2-CG2 4.29Å; L62-I95 HydrophobicContact CG-CG2 4.11Å
63K88.2Confident86.8Confident167 Ų16760.2 Ų60.273%0.72631%0.305SS*.Hα-helixtrans-61.9-41.3175.5-173.5178-179.5-178.40112.2T61 V67T61-K63 PolarHBondContact O-N 2.86Å; T61-K63 VanDerWaalsContact O-N 3.16Å; K63-V67 WeakPolarHBondContact O-CG2 3.24Å; K63-V67 PolarHBondContact O-N 3.37Å
64L89.8Confident87.2Confident58 Ų5862.7 Ų62.730%0.30434%0.335SS..Hα-helixtrans-68.2-44.2176.8176.962.6000110.2T61 L62 V66 V67 V68 C175T61-L64 WeakPolarHBondContact O-CB 3.05Å; T61-L64 PolarHBondContact O-N 2.79Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.03Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 3.21Å; L64-V67 PolarHBondContact O-N 3.33Å; L64-V67 VanDerWaalsContact O-N 3.1Å; L64-V68 HydrophobicContact CD1-CG2 4.2Å; L64-V68 HydrophobicContact CG-CG2 4.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.32Å; L64-C175 HydrophobicContact CD2-CB 4.4Å; L64-C175 WeakPolarHBondContact CD2-O 3.27Å
65E92.4Very high87.6Confident5 Ų567.7 Ų67.72%0.02335%0.353CS..Hα-helixtrans-58.4-44.7178-171.7165.7-16200111.7K51 T61 L62 V67 V68 L69 I95 F172K51-E65 IonicContact NZ-OE1 3.23Å; K51-E65 PolarHBondContact NZ-OE1 3.36Å; K51-E65 IonicContact NZ-OE2 2.74Å; K51-E65 PolarHBondContact NZ-OE2 2.99Å; T61-E65 PolarHBondContact O-N 3.45Å; L62-E65 PolarHBondContact O-N 2.9Å; E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 2.83Å; E65-V68 PolarHBondContact O-N 3.27Å; E65-L69 HydrophobicContact CG-CD1 3.89Å; E65-L69 HydrophobicContact CG-CG 4.45Å; E65-L69 VanDerWaalsContact O-CB 3.28Å; E65-L69 WeakPolarHBondContact O-CB 3.38Å; E65-L69 WeakPolarHBondContact O-CG 3.25Å; E65-L69 PolarHBondContact O-N 3.32Å; E65-I95 HydrophobicContact CG-CD1 4.46Å; E65-F172 HydrophobicContact CB-CB 4.5Å; E65-F172 HydrophobicContact CG-CB 4.21Å; E65-F172 HydrophobicContact CG-CD2 4.31Å
66V93.7Very high88.3Confident20 Ų2074.3 Ų74.312%0.12138%0.383CS..Hα-helixtrans-57.7-44.8172.9169.20000112.1L62 L64 K70 I86 I95L62-V66 WeakPolarHBondContact O-CB 3.33Å; L62-V66 VanDerWaalsContact O-CG2 3.26Å; L62-V66 WeakPolarHBondContact O-CG2 3.46Å; L62-V66 PolarHBondContact O-N 3.19Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 3.21Å; V66-K70 HydrophobicContact CG1-CD 4.16Å; V66-K70 HydrophobicContact CG1-CG 4.34Å; V66-K70 VanDerWaalsContact O-CB 3.3Å; V66-K70 WeakPolarHBondContact O-CB 3.45Å; V66-K70 VanDerWaalsContact O-CG 3.29Å; V66-K70 WeakPolarHBondContact O-CG 3.27Å; V66-K70 PolarHBondContact O-N 2.91Å; V66-I86 HydrophobicContact CG1-CD1 3.67Å; V66-I86 HydrophobicContact CG1-CG1 4.36Å; V66-I86 HydrophobicContact CG2-CG1 4.48Å; V66-I86 HydrophobicContact CG2-CG2 4.3Å; V66-I95 HydrophobicContact CG2-CG2 3.25Å
67V95.3Very high89.3Confident68 Ų6870.1 Ų70.141%0.41235%0.348SS..Hα-helixtrans-63.4-46-178.8167.20000110.5K63 L64 E65 E71K63-V67 WeakPolarHBondContact O-CG2 3.24Å; K63-V67 PolarHBondContact O-N 3.37Å; L64-V67 PolarHBondContact O-N 3.33Å; L64-V67 VanDerWaalsContact O-N 3.1Å; E65-V67 VanDerWaalsContact C-N 3.34Å; E65-V67 PolarHBondContact O-N 2.83Å; V67-E71 PolarHBondContact O-N 2.92Å; V67-E71 VanDerWaalsContact O-N 3.16Å
68V96.6Very high90.6Very high0 Ų074 Ų740%036%0.361CS..Hα-helixtrans-67.2-48.6179.8178.40000110.5L64 E65 K70 E71 L72 L141 Y146 F172 C175L64-V68 HydrophobicContact CD1-CG2 4.2Å; L64-V68 HydrophobicContact CG-CG2 4.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.32Å; E65-V68 PolarHBondContact O-N 3.27Å; V68-K70 PolarHBondContact O-N 3.02Å; V68-E71 PolarHBondContact O-N 2.95Å; V68-L72 HydrophobicContact CG1-CD1 3.81Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 3.35Å; V68-L141 HydrophobicContact CG1-CD1 3.86Å; V68-Y146 HydrophobicContact CG2-CD1 3.78Å; V68-Y146 HydrophobicContact CG2-CE1 3.75Å; V68-Y146 HydrophobicContact CG2-CG 4.32Å; V68-F172 HydrophobicContact CB-CB 4Å; V68-F172 HydrophobicContact CB-CG 4.23Å; V68-F172 HydrophobicContact CG1-CB 3.98Å; V68-F172 HydrophobicContact CG1-CD1 3.65Å; V68-F172 HydrophobicContact CG1-CD2 4.49Å; V68-F172 HydrophobicContact CG1-CE1 4.28Å; V68-F172 HydrophobicContact CG1-CG 3.77Å; V68-F172 HydrophobicContact CG2-CB 4.41Å; V68-C175 HydrophobicContact CG2-CB 3.94Å
69L96.8Very high92.1Very high2 Ų267.3 Ų67.31%0.0133%0.325CS..Hα-helixtrans-57.9-45.7178.3-79.4172.1000112E65 E71 L72 N73 V80 L83 I95 M97 F172E65-L69 HydrophobicContact CG-CD1 3.89Å; E65-L69 HydrophobicContact CG-CG 4.45Å; E65-L69 VanDerWaalsContact O-CB 3.28Å; E65-L69 WeakPolarHBondContact O-CB 3.38Å; E65-L69 WeakPolarHBondContact O-CG 3.25Å; E65-L69 PolarHBondContact O-N 3.32Å; L69-E71 PolarHBondContact O-N 3.35Å; L69-L72 PolarHBondContact O-N 2.89Å; L69-N73 VanDerWaalsContact O-CB 3.27Å; L69-N73 WeakPolarHBondContact O-CB 3.47Å; L69-N73 PolarHBondContact O-N 3.49Å; L69-N73 PolarHBondContact O-ND2 3.46Å; L69-V80 HydrophobicContact CD2-CG2 3.56Å; L69-L83 HydrophobicContact CB-CD2 4.41Å; L69-L83 HydrophobicContact CD1-CD1 4.36Å; L69-I95 HydrophobicContact CD1-CD1 4.08Å; L69-M97 HydrophobicContact CD1-SD 4.44Å; L69-F172 HydrophobicContact CD2-CD2 3.82Å; L69-F172 HydrophobicContact CD2-CE2 3.42Å; L69-F172 VanDerWaalsContact CD2-CE2 3.42Å; L69-F172 HydrophobicContact CD2-CZ 4.42Å; L69-F172 HydrophobicContact CG-CD2 3.84Å; L69-F172 HydrophobicContact CG-CE2 4Å
70K97Very high93.6Very high119 Ų11959.5 Ų59.552%0.51729%0.291SS..Hα-helixtrans-59.1-45.5176.8-81.2-171.4-179.3-168.90112.4V66 V68 N73 G74 L83 I86V66-K70 HydrophobicContact CG1-CD 4.16Å; V66-K70 HydrophobicContact CG1-CG 4.34Å; V66-K70 VanDerWaalsContact O-CB 3.3Å; V66-K70 WeakPolarHBondContact O-CB 3.45Å; V66-K70 VanDerWaalsContact O-CG 3.29Å; V66-K70 WeakPolarHBondContact O-CG 3.27Å; V66-K70 PolarHBondContact O-N 2.91Å; V68-K70 PolarHBondContact O-N 3.02Å; K70-N73 PolarHBondContact O-N 2.83Å; K70-G74 PolarHBondContact O-N 3.16Å; K70-L83 HydrophobicContact CG-CD2 3.74Å; K70-I86 HydrophobicContact CD-CD1 4.31Å; K70-I86 HydrophobicContact CG-CD1 4.48Å
71E97.2Very high94.9Very high67 Ų6753 Ų5331%0.31327%0.267SS..Hα-helixtrans-62.6-46.8179.1-176.171-162.700110.7V67 V68 L69 G74 R75 A144 Y146V67-E71 PolarHBondContact O-N 2.92Å; V67-E71 VanDerWaalsContact O-N 3.16Å; V68-E71 PolarHBondContact O-N 2.95Å; L69-E71 PolarHBondContact O-N 3.35Å; E71-G74 PolarHBondContact O-N 3.21Å; E71-R75 WeakPolarHBondContact O-CB 3.42Å; E71-R75 WeakPolarHBondContact O-CG 3.09Å; E71-R75 PolarHBondContact O-N 2.92Å; E71-R75 IonicContact OE1-CZ 3.57Å; E71-R75 IonicContact OE1-NE 2.69Å; E71-R75 PolarHBondContact OE1-NE 2.98Å; E71-R75 IonicContact OE1-NH2 3.97Å; E71-R75 PolarHBondContact OE1-NH2 2.83Å; E71-A144 HydrophobicContact CG-CB 4.25Å; E71-Y146 HydrophobicContact CG-CE2 4.29Å
72L98.2Very high95.6Very high7 Ų754.8 Ų54.84%0.03727%0.272CS..Hα-helixtrans-65.2-40.9179.1-67.1177.3000112.5V68 L69 R75 Q76 A77 V80 L141 A144 F172V68-L72 HydrophobicContact CG1-CD1 3.81Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CG 3.48Å; V68-L72 PolarHBondContact O-N 3.35Å; L69-L72 PolarHBondContact O-N 2.89Å; L72-R75 CarbonylContact O-C 3.56Å; L72-R75 PolarHBondContact O-N 2.88Å; L72-Q76 PolarHBondContact O-N 2.94Å; L72-Q76 VanDerWaalsContact O-N 3.13Å; L72-A77 HydrophobicContact CB-CB 3.97Å; L72-A77 HydrophobicContact CD2-CB 4.09Å; L72-A77 WeakPolarHBondContact O-CB 3.44Å; L72-A77 PolarHBondContact O-N 2.69Å; L72-V80 HydrophobicContact CB-CB 4.34Å; L72-V80 HydrophobicContact CB-CG1 4.25Å; L72-V80 HydrophobicContact CB-CG2 3.92Å; L72-V80 HydrophobicContact CD1-CB 4.5Å; L72-V80 HydrophobicContact CD1-CG2 3.84Å; L72-L141 HydrophobicContact CD1-CD1 3.93Å; L72-L141 HydrophobicContact CD2-CD1 4.24Å; L72-A144 HydrophobicContact CD2-CB 3.78Å; L72-F172 HydrophobicContact CD1-CE1 3.87Å; L72-F172 HydrophobicContact CD1-CZ 3.89Å
73N98Very high96.1Very high30 Ų3056.2 Ų56.216%0.1628%0.279CS..Hα-helixtrans-63.5-45.8174.9-84.7-124.3000110.7L69 K70 R75 Q76 C81 Q82 L83L69-N73 VanDerWaalsContact O-CB 3.27Å; L69-N73 WeakPolarHBondContact O-CB 3.47Å; L69-N73 PolarHBondContact O-N 3.49Å; L69-N73 PolarHBondContact O-ND2 3.46Å; K70-N73 PolarHBondContact O-N 2.83Å; N73-R75 PolarHBondContact O-N 3.39Å; N73-Q76 PolarHBondContact O-N 2.8Å; N73-C81 PolarHBondContact ND2-O 3.21Å; N73-Q82 WeakPolarHBondContact OD1-CA 3.11Å; N73-Q82 PolarHBondContact OD1-OE1 3.37Å; N73-L83 PolarHBondContact OD1-N 3.41Å
74G97.8Very high96.5Very high69 Ų6951 Ų5171%0.71126%0.256SS*.Hα-helixtrans-63.1-27.4177.700000113.6K70 E71K70-G74 PolarHBondContact O-N 3.16Å; E71-G74 PolarHBondContact O-N 3.21Å
75R97.6Very high96.8Very high122 Ų12248.7 Ų48.746%0.4625%0.247SC..THydrogen-bonded Turntrans-88.6-0.5173.7-70.9174171.5-119.71.7114.2E71 L72 N73 A77 L143E71-R75 WeakPolarHBondContact O-CB 3.42Å; E71-R75 WeakPolarHBondContact O-CG 3.09Å; E71-R75 PolarHBondContact O-N 2.92Å; E71-R75 IonicContact OE1-CZ 3.57Å; E71-R75 IonicContact OE1-NE 2.69Å; E71-R75 PolarHBondContact OE1-NE 2.98Å; E71-R75 IonicContact OE1-NH2 3.97Å; E71-R75 PolarHBondContact OE1-NH2 2.83Å; L72-R75 CarbonylContact O-C 3.56Å; L72-R75 PolarHBondContact O-N 2.88Å; N73-R75 PolarHBondContact O-N 3.39Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 2.87Å; R75-L143 PolarHBondContact NH1-O 3.03Å
76Q97.5Very high97Very high173 Ų17351.9 Ų51.981%0.80826%0.263SS*.THydrogen-bonded Turntrans54.443.1-175.8-56.2178.2-25.600112.5L72 N73L72-Q76 PolarHBondContact O-N 2.94Å; L72-Q76 VanDerWaalsContact O-N 3.13Å; N73-Q76 PolarHBondContact O-N 2.8Å
77A98.3Very high97Very high12 Ų1251.7 Ų51.710%0.09927%0.265CS..  trans-57.2143.7175.900000111.1L72 R75 V80 D140L72-A77 HydrophobicContact CB-CB 3.97Å; L72-A77 HydrophobicContact CD2-CB 4.09Å; L72-A77 WeakPolarHBondContact O-CB 3.44Å; L72-A77 PolarHBondContact O-N 2.69Å; R75-A77 VanDerWaalsContact C-N 3.28Å; R75-A77 PolarHBondContact O-N 2.87Å; A77-V80 HydrophobicContact CB-CB 4.41Å; A77-V80 HydrophobicContact CB-CG1 3.96Å; A77-D140 HydrophobicContact CB-CB 3.86Å
78R98.1Very high96.9Very high112 Ų11255.7 Ų55.742%0.42328%0.277SS..THydrogen-bonded Turntrans-71.5-36.7-165.9-68.3169.1-76.3-177.3-3.9114.2E136 D140R78-E136 VanDerWaalsContact NH1-CG 3.3Å; R78-E136 IonicContact NH1-OE2 2.69Å; R78-E136 PolarHBondContact NH2-O 3.07Å; R78-D140 WeakPolarHBondContact CB-OD2 3.21Å; R78-D140 WeakPolarHBondContact CG-OD2 3.01Å; R78-D140 IonicContact CZ-OD1 3.75Å; R78-D140 IonicContact CZ-OD2 3.65Å; R78-D140 PolarHBondContact N-OD2 2.83Å; R78-D140 IonicContact NE-OD1 3.87Å; R78-D140 PolarHBondContact NE-OD1 2.98Å; R78-D140 IonicContact NE-OD2 3.83Å; R78-D140 PolarHBondContact NE-OD2 3.28Å; R78-D140 IonicContact NH2-OD1 3.73Å; R78-D140 PolarHBondContact NH2-OD1 3.11Å; R78-D140 IonicContact NH2-OD2 3.3Å
79H98.4Very high96.8Very high14 Ų1458.6 Ų58.67%0.06529%0.29CS..THydrogen-bonded Turntrans-126.249.7-167.1-60.6-61.7000111.8K133 E136 S137 V167 C169H79-K133 PolarHBondContact CD2-O 3.1Å; H79-K133 WeakPolarHBondContact CE1-CD 3.32Å; H79-E136 WeakPolarHBondContact CD2-CB 3.44Å; H79-E136 IonicContact CD2-OE2 3.69Å; H79-E136 IonicContact CE1-OE2 3.15Å; H79-E136 WeakPolarHBondContact NE2-CB 3.23Å; H79-E136 IonicContact NE2-OE2 3.94Å; H79-E136 PolarHBondContact NE2-OE2 2.84Å; H79-S137 PolarHBondContact O-OG 3.49Å; H79-V167 WeakPolarHBondContact CA-O 3.33Å; H79-V167 WeakPolarHBondContact CB-O 3.28Å; H79-V167 PolarHBondContact ND1-O 2.96Å; H79-C169 PolarHBondContact O-N 2.94Å
80V97.7Very high96.5Very high6 Ų665.4 Ų65.44%0.03633%0.331CS..BIsolated β-bridgetrans-126142.2-177.771.60000110.8L69 L72 A77 Q82 F172L69-V80 HydrophobicContact CD2-CG2 3.56Å; L72-V80 HydrophobicContact CB-CB 4.34Å; L72-V80 HydrophobicContact CB-CG1 4.25Å; L72-V80 HydrophobicContact CB-CG2 3.92Å; L72-V80 HydrophobicContact CD1-CB 4.5Å; L72-V80 HydrophobicContact CD1-CG2 3.84Å; A77-V80 HydrophobicContact CB-CB 4.41Å; A77-V80 HydrophobicContact CB-CG1 3.96Å; V80-Q82 PolarHBondContact O-N 3.44Å; V80-F172 HydrophobicContact CG2-CE2 4.32Å; V80-F172 HydrophobicContact CG2-CZ 4.2Å
81C97.4Very high96.1Very high2 Ų262.4 Ų62.41%0.01433%0.326CS..  trans-61.7134.6171.1-63.60000110.4N73 M97N73-C81 PolarHBondContact ND2-O 3.21Å; C81-M97 HydrophobicContact CB-CB 4.16Å; C81-M97 HydrophobicContact CB-SD 4.45Å
82Q97Very high95.9Very high91 Ų9160 Ų6043%0.42531%0.314SS..  trans-69.6140.2171.3-65.2-61.6-47.100109.6N73 V80 F84 M97 T98N73-Q82 WeakPolarHBondContact OD1-CA 3.11Å; N73-Q82 PolarHBondContact OD1-OE1 3.37Å; V80-Q82 PolarHBondContact O-N 3.44Å; Q82-F84 HydrophobicContact CB-CE1 4.02Å; Q82-F84 HydrophobicContact CB-CE2 4.16Å; Q82-F84 HydrophobicContact CB-CZ 3.68Å; Q82-M97 CarbonylContact O-C 2.98Å; Q82-M97 WeakPolarHBondContact O-CA 3.34Å; Q82-M97 WeakPolarHBondContact O-CB 3.43Å; Q82-T98 PolarHBondContact N-OG1 3.32Å; Q82-T98 PolarHBondContact O-N 3.07Å; Q82-T98 VanDerWaalsContact O-N 3.09Å
83L96Very high95.6Very high36 Ų3661.1 Ų61.119%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-101.9111.4-179.4-168.166.5000110.4L69 K70 N73 I86 I95L69-L83 HydrophobicContact CB-CD2 4.41Å; L69-L83 HydrophobicContact CD1-CD1 4.36Å; K70-L83 HydrophobicContact CG-CD2 3.74Å; N73-L83 PolarHBondContact OD1-N 3.41Å; L83-I86 HydrophobicContact CD1-CG1 4.28Å; L83-I86 HydrophobicContact CD2-CD1 3.64Å; L83-I86 HydrophobicContact CD2-CG1 3.9Å; L83-I86 HydrophobicContact CG-CD1 4.38Å; L83-I86 HydrophobicContact CG-CG1 4.17Å; L83-I95 HydrophobicContact CD1-CB 4.05Å; L83-I95 HydrophobicContact CD1-CG2 4.48Å
84F96.5Very high95.5Very high58 Ų5859.7 Ų59.725%0.25431%0.314SS..EExtended strand (participates in β ladder)trans-96.6-23.8-174.3-58.2-67000114.2R21 L44 E48 Q82 V96R21-F84 PolarHBondContact NH1-O 2.94Å; L44-F84 HydrophobicContact CD1-CD1 3.68Å; L44-F84 HydrophobicContact CD1-CE1 3.9Å; L44-F84 HydrophobicContact CD1-CG 4.37Å; E48-F84 HydrophobicContact CB-CD2 4.39Å; E48-F84 HydrophobicContact CG-CD2 3.87Å; E48-F84 HydrophobicContact CG-CE2 4.01Å; E48-F84 WeakPolarHBondContact OE2-CE2 3.29Å; Q82-F84 HydrophobicContact CB-CE1 4.02Å; Q82-F84 HydrophobicContact CB-CE2 4.16Å; Q82-F84 HydrophobicContact CB-CZ 3.68Å; F84-V96 HydrophobicContact CB-CB 4.37Å; F84-V96 HydrophobicContact CB-CG1 4.25Å; F84-V96 PolarHBondContact N-O 2.71Å
85G95.9Very high95.3Very high10 Ų1056.4 Ų56.410%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-162.7146.7-174.100000112.4I95 V96G85-I95 CarbonylContact O-C 3.54Å; G85-I95 WeakPolarHBondContact O-CA 3.3Å; G85-V96 PolarHBondContact N-O 3.49Å; G85-V96 PolarHBondContact O-N 3.38Å
86I96Very high95.3Very high72 Ų7250.6 Ų50.637%0.36926%0.258SS..EExtended strand (participates in β ladder)trans-141.4134.6169.8-54.8155.5000106.2V66 K70 L83 F94 I95V66-I86 HydrophobicContact CG1-CD1 3.67Å; V66-I86 HydrophobicContact CG1-CG1 4.36Å; V66-I86 HydrophobicContact CG2-CG1 4.48Å; V66-I86 HydrophobicContact CG2-CG2 4.3Å; K70-I86 HydrophobicContact CD-CD1 4.31Å; K70-I86 HydrophobicContact CG-CD1 4.48Å; L83-I86 HydrophobicContact CD1-CG1 4.28Å; L83-I86 HydrophobicContact CD2-CD1 3.64Å; L83-I86 HydrophobicContact CD2-CG1 3.9Å; L83-I86 HydrophobicContact CG-CD1 4.38Å; L83-I86 HydrophobicContact CG-CG1 4.17Å; I86-F94 WeakPolarHBondContact CA-O 3.16Å; I86-I95 HydrophobicContact CG1-CG2 4.31Å; I86-I95 HydrophobicContact CG2-CG2 4.44Å
87G94.5Very high95.3Very high16 Ų1642.7 Ų42.717%0.16522%0.221CC..EExtended strand (participates in β ladder)trans-151.8164175.100000112.9C93 F94G87-C93 WeakPolarHBondContact O-CA 3.38Å; G87-F94 PolarHBondContact N-O 3.02Å; G87-F94 PolarHBondContact O-N 3.14Å
88K93.4Very high95.3Very high151 Ų15143.1 Ų43.166%0.65722%0.223SC*.EExtended strand (participates in β ladder)trans-125.7124.4175-178.8175.3-177.9-169.60108.2
89K93.1Very high95.2Very high61 Ų6138.6 Ų38.627%0.26521%0.207SC..  trans-105.8176.3172.4-58.9-53.8-171.1175.10109.8D19 N55 Y92 F94D19-K89 VanDerWaalsContact CG-NZ 3.34Å; D19-K89 IonicContact OD1-NZ 3.65Å; D19-K89 PolarHBondContact OD1-NZ 2.85Å; D19-K89 IonicContact OD2-NZ 3.53Å; N55-K89 PolarHBondContact ND2-O 3.08Å; K89-Y92 CarbonylContact C-O 3.57Å; K89-Y92 WeakPolarHBondContact CA-O 3.36Å; K89-Y92 HydrophobicContact CB-CD1 3.64Å; K89-Y92 HydrophobicContact CB-CE1 3.52Å; K89-Y92 HydrophobicContact CB-CE2 4.46Å; K89-Y92 HydrophobicContact CB-CG 4.22Å; K89-Y92 WeakPolarHBondContact CB-O 3.15Å; K89-Y92 HydrophobicContact CG-CD1 4.1Å; K89-Y92 HydrophobicContact CG-CD2 4.43Å; K89-Y92 HydrophobicContact CG-CE1 3.56Å; K89-Y92 HydrophobicContact CG-CE2 3.92Å; K89-Y92 VanDerWaalsContact CG-CZ 3.46Å; K89-Y92 PolarHBondContact N-O 2.89Å; K89-F94 HydrophobicContact CG-CD1 4.45Å; K89-F94 HydrophobicContact CG-CE1 4.47Å
90T90.8Very high95.1Very high145 Ų14537.9 Ų37.989%0.8920%0.204SC*.SBendtrans-60.7-45.4179-510000111.5N55N55-T90 PolarHBondContact ND2-O 2.85Å
91S89.5Confident95.1Very high57 Ų5737.6 Ų37.640%0.39920%0.202SC..SBendtrans-96.6-20.3-175.842.40000114.8N55N55-S91 WeakPolarHBondContact CB-O 3.26Å; N55-S91 PolarHBondContact N-O 3.35Å
92Y91.8Very high95.1Very high17 Ų1738.1 Ų38.17%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-149.3161.8-173.366.6-75.9000113.3L11 L12 I52 E53 N55 K89 F94L11-Y92 HydrophobicContact CD2-CD1 3.16Å; L11-Y92 HydrophobicContact CD2-CD2 4.44Å; L11-Y92 HydrophobicContact CD2-CE1 3.66Å; L11-Y92 HydrophobicContact CD2-CG 3.6Å; L11-Y92 HydrophobicContact CG-CD1 4.48Å; L12-Y92 HydrophobicContact CD1-CE2 4.35Å; I52-Y92 HydrophobicContact CB-CD2 3.86Å; I52-Y92 HydrophobicContact CB-CE2 4.5Å; I52-Y92 HydrophobicContact CG2-CD2 3.77Å; I52-Y92 HydrophobicContact CG2-CE2 3.91Å; E53-Y92 CarbonylContact O-C 3.56Å; E53-Y92 VanDerWaalsContact O-CA 3.3Å; E53-Y92 WeakPolarHBondContact O-CA 3.36Å; E53-Y92 WeakPolarHBondContact O-CB 3.31Å; N55-Y92 PolarHBondContact ND2-N 2.97Å; K89-Y92 CarbonylContact C-O 3.57Å; K89-Y92 WeakPolarHBondContact CA-O 3.36Å; K89-Y92 HydrophobicContact CB-CD1 3.64Å; K89-Y92 HydrophobicContact CB-CE1 3.52Å; K89-Y92 HydrophobicContact CB-CE2 4.46Å; K89-Y92 HydrophobicContact CB-CG 4.22Å; K89-Y92 WeakPolarHBondContact CB-O 3.15Å; K89-Y92 HydrophobicContact CG-CD1 4.1Å; K89-Y92 HydrophobicContact CG-CD2 4.43Å; K89-Y92 HydrophobicContact CG-CE1 3.56Å; K89-Y92 HydrophobicContact CG-CE2 3.92Å; K89-Y92 VanDerWaalsContact CG-CZ 3.46Å; K89-Y92 PolarHBondContact N-O 2.89Å; Y92-F94 HydrophobicContact CD2-CB 4.13Å; Y92-F94 HydrophobicContact CD2-CD1 4.44Å; Y92-F94 HydrophobicContact CE2-CB 4.05Å; Y92-F94 AromaticContact CE2-CD1 3.93Å; Y92-F94 HydrophobicContact CE2-CD1 3.93Å; Y92-F94 HydrophobicContact CE2-CG 4.34Å
93C93Very high95.1Very high29 Ų2933.9 Ų33.920%0.19619%0.186CC..EExtended strand (participates in β ladder)trans-106152.9161.2-65.60000109.1I52 E53 N55 L62 G87I52-C93 CarbonylContact C-O 3.57Å; I52-C93 VanDerWaalsContact CA-O 3.27Å; I52-C93 WeakPolarHBondContact CA-O 3.35Å; E53-C93 PolarHBondContact N-O 2.78Å; E53-C93 PolarHBondContact O-N 3.16Å; N55-C93 PolarHBondContact OD1-N 3.43Å; N55-C93 PolarHBondContact OD1-SG 2.91Å; L62-C93 HydrophobicContact CD2-CB 4.04Å; G87-C93 WeakPolarHBondContact O-CA 3.38Å
94F94.3Very high95.1Very high1 Ų132.1 Ų32.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-139.8154.9176.474.8-89.4000112.8V18 D19 W22 M50 K51 I52 I86 G87 K89 Y92 V96V18-F94 HydrophobicContact CG1-CD1 4.24Å; V18-F94 HydrophobicContact CG1-CE1 3.79Å; V18-F94 HydrophobicContact CG1-CE2 4.39Å; V18-F94 HydrophobicContact CG1-CZ 3.89Å; D19-F94 WeakPolarHBondContact OD2-CZ 3.15Å; W22-F94 HydrophobicContact CE3-CE2 4.02Å; W22-F94 HydrophobicContact CE3-CZ 4.3Å; W22-F94 HydrophobicContact CH2-CE2 4.26Å; W22-F94 AromaticContact CZ3-CE2 3.67Å; W22-F94 HydrophobicContact CZ3-CE2 3.67Å; W22-F94 AromaticContact CZ3-CZ 3.8Å; W22-F94 HydrophobicContact CZ3-CZ 3.8Å; M50-F94 HydrophobicContact CE-CD2 4.14Å; M50-F94 HydrophobicContact CE-CE2 4.33Å; M50-F94 HydrophobicContact CG-CB 4.13Å; M50-F94 HydrophobicContact CG-CD2 4.15Å; M50-F94 HydrophobicContact CG-CG 4.47Å; M50-F94 HydrophobicContact SD-CB 4.3Å; M50-F94 HydrophobicContact SD-CD2 4.13Å; M50-F94 HydrophobicContact SD-CG 4.28Å; K51-F94 CarbonylContact O-C 3.55Å; K51-F94 WeakPolarHBondContact O-CA 3.32Å; I52-F94 HydrophobicContact CG2-CB 3.84Å; I86-F94 WeakPolarHBondContact CA-O 3.16Å; G87-F94 PolarHBondContact N-O 3.02Å; G87-F94 PolarHBondContact O-N 3.14Å; K89-F94 HydrophobicContact CG-CD1 4.45Å; K89-F94 HydrophobicContact CG-CE1 4.47Å; Y92-F94 HydrophobicContact CD2-CB 4.13Å; Y92-F94 HydrophobicContact CD2-CD1 4.44Å; Y92-F94 HydrophobicContact CE2-CB 4.05Å; Y92-F94 AromaticContact CE2-CD1 3.93Å; Y92-F94 HydrophobicContact CE2-CD1 3.93Å; Y92-F94 HydrophobicContact CE2-CG 4.34Å; F94-V96 HydrophobicContact CD2-CG2 3.83Å; F94-V96 HydrophobicContact CE2-CG2 3.84Å
95I95.5Very high95.2Very high0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-124148.2162.465.7179.7000109.2M50 K51 L62 E65 V66 L69 L83 G85 I86 M97M50-I95 CarbonylContact C-O 3.57Å; M50-I95 VanDerWaalsContact CA-O 3.3Å; M50-I95 WeakPolarHBondContact CA-O 3.49Å; K51-I95 HydrophobicContact CB-CD1 4.37Å; K51-I95 HydrophobicContact CB-CG1 3.88Å; K51-I95 HydrophobicContact CD-CD1 4.47Å; K51-I95 PolarHBondContact N-O 2.94Å; K51-I95 PolarHBondContact O-N 3.33Å; L62-I95 HydrophobicContact CD1-CD1 3.72Å; L62-I95 HydrophobicContact CD1-CG1 3.93Å; L62-I95 HydrophobicContact CD1-CG2 4.1Å; L62-I95 HydrophobicContact CD2-CG2 4.29Å; L62-I95 HydrophobicContact CG-CG2 4.11Å; E65-I95 HydrophobicContact CG-CD1 4.46Å; V66-I95 HydrophobicContact CG2-CG2 3.25Å; L69-I95 HydrophobicContact CD1-CD1 4.08Å; L83-I95 HydrophobicContact CD1-CB 4.05Å; L83-I95 HydrophobicContact CD1-CG2 4.48Å; G85-I95 CarbonylContact O-C 3.54Å; G85-I95 WeakPolarHBondContact O-CA 3.3Å; I86-I95 HydrophobicContact CG1-CG2 4.31Å; I86-I95 HydrophobicContact CG2-CG2 4.44Å; I95-M97 HydrophobicContact CD1-CE 4.18Å; I95-M97 HydrophobicContact CD1-SD 3.96Å
96V97.3Very high95.2Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-117125.6169.7-172.10000108.2W22 V39 E48 A49 M50 F84 G85 F94W22-V96 HydrophobicContact CD2-CG2 3.74Å; W22-V96 HydrophobicContact CE3-CG2 4.16Å; W22-V96 HydrophobicContact CG-CG1 4.48Å; W22-V96 HydrophobicContact CG-CG2 4.08Å; W22-V96 HydrophobicContact CH2-CG2 4.41Å; W22-V96 HydrophobicContact CZ2-CB 4.24Å; W22-V96 HydrophobicContact CZ2-CG2 4.02Å; W22-V96 HydrophobicContact CZ3-CG2 4.48Å; V39-V96 HydrophobicContact CG2-CG1 4.12Å; E48-V96 HydrophobicContact CB-CG1 3.66Å; E48-V96 HydrophobicContact CG-CG1 4.36Å; A49-V96 WeakPolarHBondContact O-CA 3.39Å; M50-V96 HydrophobicContact CB-CG2 4.24Å; M50-V96 HydrophobicContact CE-CG2 3.66Å; M50-V96 HydrophobicContact CG-CG2 4.06Å; F84-V96 HydrophobicContact CB-CB 4.37Å; F84-V96 HydrophobicContact CB-CG1 4.25Å; F84-V96 PolarHBondContact N-O 2.71Å; G85-V96 PolarHBondContact N-O 3.49Å; G85-V96 PolarHBondContact O-N 3.38Å; F94-V96 HydrophobicContact CD2-CG2 3.83Å; F94-V96 HydrophobicContact CE2-CG2 3.84Å
97M97.3Very high95.3Very high6 Ų627.5 Ų27.53%0.0315%0.154CC..EExtended strand (participates in β ladder)trans-143.6170.1-173.361.9-179.6165.600111.9A49 K51 L69 C81 Q82 I95 L99 M334A49-M97 HydrophobicContact CB-CG 4.39Å; A49-M97 PolarHBondContact N-O 3.1Å; A49-M97 PolarHBondContact O-N 2.72Å; K51-M97 HydrophobicContact CB-CE 4.05Å; K51-M97 HydrophobicContact CD-CE 4.14Å; L69-M97 HydrophobicContact CD1-SD 4.44Å; C81-M97 HydrophobicContact CB-CB 4.16Å; C81-M97 HydrophobicContact CB-SD 4.45Å; Q82-M97 CarbonylContact O-C 2.98Å; Q82-M97 WeakPolarHBondContact O-CA 3.34Å; Q82-M97 WeakPolarHBondContact O-CB 3.43Å; I95-M97 HydrophobicContact CD1-CE 4.18Å; I95-M97 HydrophobicContact CD1-SD 3.96Å; M97-L99 PolarHBondContact O-N 3.2Å; M97-M334 HydrophobicContact CE-CE 3.7Å; M97-M334 HydrophobicContact SD-CE 4.08Å
98T97Very high95.4Very high22 Ų2226.9 Ų26.914%0.13515%0.147CC..EExtended strand (participates in β ladder)trans-46.4128.1177.4-55.80000112.4E48 Q82 V100 F168E48-T98 WeakPolarHBondContact OE2-CA 3.11Å; Q82-T98 PolarHBondContact N-OG1 3.32Å; Q82-T98 PolarHBondContact O-N 3.07Å; Q82-T98 VanDerWaalsContact O-N 3.09Å; T98-V100 HydrophobicContact CG2-CG1 4.46Å; T98-F168 HydrophobicContact CG2-CE1 3.98Å; T98-F168 HydrophobicContact CG2-CZ 4.02Å
99L97Very high95.5Very high16 Ų1623.3 Ų23.38%0.08413%0.132CC..PPolyproline II helixtrans-79.3116.9169.7-17564.9000111L28 E38 E48 A49 M97L28-L99 HydrophobicContact CD1-CD1 3.57Å; E38-L99 HydrophobicContact CG-CD1 4.5Å; E38-L99 HydrophobicContact CG-CD2 3.76Å; E48-L99 PolarHBondContact OE2-N 2.75Å; A49-L99 HydrophobicContact CB-CD1 3.95Å; M97-L99 PolarHBondContact O-N 3.2Å
100V97.1Very high95.7Very high0 Ų021.5 Ų21.50%013%0.128CC..PPolyproline II helixtrans-100167.4-174.3-53.10000113T98 A157 R160 F168 L170 H332 M334T98-V100 HydrophobicContact CG2-CG1 4.46Å; V100-A157 HydrophobicContact CB-CB 3.98Å; V100-A157 HydrophobicContact CG2-CB 3.63Å; V100-R160 PolarHBondContact O-NE 2.92Å; V100-R160 PolarHBondContact O-NH2 2.81Å; V100-F168 HydrophobicContact CB-CD2 4.31Å; V100-F168 HydrophobicContact CG1-CB 3.92Å; V100-F168 HydrophobicContact CG1-CD1 4.41Å; V100-F168 HydrophobicContact CG1-CD2 3.72Å; V100-F168 HydrophobicContact CG1-CE2 4.4Å; V100-F168 HydrophobicContact CG1-CG 3.73Å; V100-L170 HydrophobicContact CG1-CD2 4.31Å; V100-L170 HydrophobicContact CG2-CD1 4.33Å; V100-H332 HydrophobicContact CG2-CB 4.09Å; V100-M334 HydrophobicContact CB-SD 4.45Å; V100-M334 HydrophobicContact CG1-CE 4.13Å; V100-M334 HydrophobicContact CG1-SD 4.41Å; V100-M334 HydrophobicContact CG2-CE 4.03Å; V100-M334 HydrophobicContact CG2-CG 4.15Å; V100-M334 HydrophobicContact CG2-SD 3.25Å; V100-M334 WeakPolarHBondContact CG2-SD 3.3Å
101G96.8Very high96Very high0 Ų014.6 Ų14.60%09%0.085CC..  trans-81.8-154.6175.100000113.5T158 H332G101-T158 WeakPolarHBondContact CA-O 3.4Å; G101-T158 PolarHBondContact N-O 2.85Å; G101-H332 VanDerWaalsContact O-CB 3.25Å; G101-H332 WeakPolarHBondContact O-CB 3.34Å; G101-H332 PolarHBondContact O-N 2.77Å
102P96.6Very high96.4Very high12 Ų1218 Ų188%0.0789%0.09CC..  trans-69.5150.9177.730.8-36.1000111.9M107 A157 T158 A329 P330 M331P102-M107 HydrophobicContact CB-CG 3.86Å; P102-M107 HydrophobicContact CG-CG 3.67Å; P102-M107 HydrophobicContact CG-SD 3.98Å; P102-A157 WeakPolarHBondContact O-CA 3.24Å; P102-A157 WeakPolarHBondContact O-CB 3.49Å; P102-T158 WeakPolarHBondContact CD-OG1 3.42Å; P102-T158 PolarHBondContact O-N 2.81Å; P102-T158 PolarHBondContact O-OG1 2.95Å; P102-A329 HydrophobicContact CB-CB 3.82Å; P102-A329 HydrophobicContact CG-CB 4.33Å; P102-P330 WeakPolarHBondContact CB-O 3.48Å; P102-M331 HydrophobicContact CG-CE 4.44Å
103S97Very high96.5Very high2 Ų222.3 Ų22.31%0.01412%0.119CC..BIsolated β-bridgetrans-72162.217169.80000111.9N105 S106 M107 F156S103-N105 PolarHBondContact O-N 3.42Å; S103-N105 PolarHBondContact OG-N 3.08Å; S103-S106 PolarHBondContact O-N 2.9Å; S103-S106 WeakPolarHBondContact OG-CB 3.48Å; S103-S106 PolarHBondContact OG-N 3.35Å; S103-S106 PolarHBondContact OG-OG 2.98Å; S103-M107 WeakPolarHBondContact O-CG 3.31Å; S103-M107 PolarHBondContact O-N 2.85Å; S103-F156 CarbonylContact C-O 3.56Å; S103-F156 WeakPolarHBondContact CA-O 3.27Å; S103-F156 WeakPolarHBondContact CB-O 3.49Å
104F97.8Very high96.7Very high0 Ų025.7 Ų25.70%013%0.131CC..Hα-helixtrans-58.4-36.6171.3-59.6-3.3000110.3M107 L108 L130 P153 F156 T158 V167 M223 M227F104-M107 HydrophobicContact CD1-CE 3.92Å; F104-L108 WeakPolarHBondContact O-CB 3.45Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.38Å; F104-L108 PolarHBondContact O-N 2.83Å; F104-L130 HydrophobicContact CD1-CD1 4.02Å; F104-L130 HydrophobicContact CD1-CD2 4.09Å; F104-L130 HydrophobicContact CD2-CD1 4.22Å; F104-L130 HydrophobicContact CE1-CD1 4.17Å; F104-L130 HydrophobicContact CE1-CD2 3.46Å; F104-L130 VanDerWaalsContact CE1-CD2 3.46Å; F104-L130 HydrophobicContact CE1-CG 4.24Å; F104-L130 HydrophobicContact CE2-CB 3.92Å; F104-L130 HydrophobicContact CE2-CD1 4.33Å; F104-L130 HydrophobicContact CE2-CD2 4.35Å; F104-L130 HydrophobicContact CE2-CG 4.42Å; F104-L130 HydrophobicContact CG-CD1 4.06Å; F104-L130 HydrophobicContact CZ-CB 3.93Å; F104-L130 HydrophobicContact CZ-CD1 4.3Å; F104-L130 HydrophobicContact CZ-CD2 3.59Å; F104-L130 HydrophobicContact CZ-CG 4.13Å; F104-P153 HydrophobicContact CB-CB 3.9Å; F104-P153 WeakPolarHBondContact CB-O 3.49Å; F104-P153 PolarHBondContact N-O 3.37Å; F104-F156 HydrophobicContact CD1-CB 3.99Å; F104-F156 HydrophobicContact CD2-CB 3.62Å; F104-F156 HydrophobicContact CD2-CG 4.32Å; F104-F156 HydrophobicContact CE1-CB 3.74Å; F104-F156 HydrophobicContact CE2-CB 3.38Å; F104-F156 HydrophobicContact CE2-CD1 4.39Å; F104-F156 HydrophobicContact CE2-CD2 4.43Å; F104-F156 AromaticContact CE2-CG 3.84Å; F104-F156 HydrophobicContact CE2-CG 3.84Å; F104-F156 HydrophobicContact CG-CB 3.93Å; F104-F156 HydrophobicContact CZ-CB 3.44Å; F104-F156 VanDerWaalsContact CZ-CB 3.44Å; F104-F156 HydrophobicContact CZ-CD1 4.43Å; F104-F156 HydrophobicContact CZ-CG 4.14Å; F104-F156 PolarHBondContact N-O 3.12Å; F104-T158 HydrophobicContact CE1-CG2 4.47Å; F104-V167 HydrophobicContact CE1-CG1 4.07Å; F104-V167 HydrophobicContact CE1-CG2 4.22Å; F104-V167 HydrophobicContact CZ-CG1 3.6Å; F104-V167 HydrophobicContact CZ-CG2 4.13Å; F104-M223 HydrophobicContact CD2-CE 4.33Å; F104-M223 HydrophobicContact CD2-SD 4.16Å; F104-M223 HydrophobicContact CE2-CE 4.21Å; F104-M227 HydrophobicContact CB-SD 4.46Å; F104-M227 HydrophobicContact CD2-SD 3.89Å; F104-M227 HydrophobicContact CG-SD 4.49Å
105N96.6Very high96.8Very high28 Ų2826.1 Ų26.115%0.1513%0.132CC..Hα-helixtrans-62.8-49.9175.6-16868.3000112.1S103 M107 L108 E109 P153 Q154S103-N105 PolarHBondContact O-N 3.42Å; S103-N105 PolarHBondContact OG-N 3.08Å; N105-M107 VanDerWaalsContact C-N 3.29Å; N105-M107 PolarHBondContact O-N 2.94Å; N105-L108 CarbonylContact O-C 3.03Å; N105-L108 WeakPolarHBondContact O-CB 3.36Å; N105-L108 PolarHBondContact O-N 3.02Å; N105-L108 VanDerWaalsContact O-N 3.11Å; N105-E109 PolarHBondContact ND2-OE1 3.38Å; N105-E109 WeakPolarHBondContact O-CG 3.46Å; N105-E109 PolarHBondContact O-N 3.12Å; N105-P153 HydrophobicContact CB-CB 3.91Å; N105-P153 PolarHBondContact N-O 3.04Å; N105-Q154 HydrophobicContact CB-CB 4.47Å; N105-Q154 HydrophobicContact CB-CG 3.69Å; N105-Q154 PolarHBondContact ND2-NE2 2.6Å; N105-Q154 PolarHBondContact OD1-NE2 2.61Å; N105-Q154 VanDerWaalsContact OD1-NE2 3.11Å
106S96.3Very high96.7Very high14 Ų1432.3 Ų32.310%0.09817%0.173CC..Hα-helixtrans-60.4-41.3-178.8-56.30000111.4S103 E109 S110 P330S103-S106 PolarHBondContact O-N 2.9Å; S103-S106 WeakPolarHBondContact OG-CB 3.48Å; S103-S106 PolarHBondContact OG-N 3.35Å; S103-S106 PolarHBondContact OG-OG 2.98Å; S106-E109 PolarHBondContact O-N 3.4Å; S106-S110 PolarHBondContact O-N 3.13Å; S106-P330 WeakPolarHBondContact CB-O 2.82Å
107M97.8Very high96.6Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-65.1-44.2173.6-68.2-169.7-65.200111.5P102 S103 F104 N105 E109 S110 L111 F122 L130 T158 W316 T326 A329P102-M107 HydrophobicContact CB-CG 3.86Å; P102-M107 HydrophobicContact CG-CG 3.67Å; P102-M107 HydrophobicContact CG-SD 3.98Å; S103-M107 WeakPolarHBondContact O-CG 3.31Å; S103-M107 PolarHBondContact O-N 2.85Å; F104-M107 HydrophobicContact CD1-CE 3.92Å; N105-M107 VanDerWaalsContact C-N 3.29Å; N105-M107 PolarHBondContact O-N 2.94Å; M107-E109 VanDerWaalsContact C-N 3.3Å; M107-E109 PolarHBondContact O-N 3.28Å; M107-S110 PolarHBondContact O-N 3.37Å; M107-S110 PolarHBondContact O-OG 2.65Å; M107-L111 WeakPolarHBondContact O-CG 3.44Å; M107-L111 PolarHBondContact O-N 3.26Å; M107-F122 HydrophobicContact CB-CE1 3.76Å; M107-F122 HydrophobicContact CB-CZ 3.71Å; M107-F122 HydrophobicContact CE-CZ 4.14Å; M107-L130 HydrophobicContact CE-CD1 4.48Å; M107-T158 HydrophobicContact CE-CG2 3.55Å; M107-T158 HydrophobicContact SD-CG2 4.11Å; M107-W316 HydrophobicContact CE-CE3 4.11Å; M107-W316 HydrophobicContact CE-CZ3 4.22Å; M107-W316 HydrophobicContact SD-CB 4.25Å; M107-W316 HydrophobicContact SD-CD2 3.9Å; M107-W316 HydrophobicContact SD-CE3 3.69Å; M107-W316 HydrophobicContact SD-CG 4.16Å; M107-W316 HydrophobicContact SD-CZ3 4.39Å; M107-T326 HydrophobicContact CB-CG2 4.48Å; M107-A329 HydrophobicContact CG-CB 4.05Å
108L97.4Very high96.3Very high4 Ų436.7 Ų36.72%0.02120%0.202CC..Hα-helixtrans-62.1-36.7174.9-75.9170.7000112.7F104 N105 L111 T120 F122 M227F104-L108 WeakPolarHBondContact O-CB 3.45Å; F104-L108 VanDerWaalsContact O-CG 3.3Å; F104-L108 WeakPolarHBondContact O-CG 3.38Å; F104-L108 PolarHBondContact O-N 2.83Å; N105-L108 CarbonylContact O-C 3.03Å; N105-L108 WeakPolarHBondContact O-CB 3.36Å; N105-L108 PolarHBondContact O-N 3.02Å; N105-L108 VanDerWaalsContact O-N 3.11Å; L108-L111 WeakPolarHBondContact O-CB 3.48Å; L108-L111 PolarHBondContact O-N 3.46Å; L108-T120 WeakPolarHBondContact O-CB 3.5Å; L108-T120 WeakPolarHBondContact O-CG2 3.47Å; L108-T120 PolarHBondContact O-OG1 2.97Å; L108-F122 HydrophobicContact CD1-CE2 4.31Å; L108-F122 HydrophobicContact CD2-CD1 4.35Å; L108-F122 HydrophobicContact CD2-CD2 3.84Å; L108-F122 HydrophobicContact CD2-CE1 4.15Å; L108-F122 HydrophobicContact CD2-CE2 3.63Å; L108-F122 HydrophobicContact CD2-CG 4.19Å; L108-F122 HydrophobicContact CD2-CZ 3.79Å; L108-F122 HydrophobicContact CG-CD2 4.35Å; L108-F122 HydrophobicContact CG-CE1 4.33Å; L108-F122 HydrophobicContact CG-CE2 3.63Å; L108-F122 HydrophobicContact CG-CZ 3.61Å; L108-M227 HydrophobicContact CD1-CG 4.08Å
109E96Very high96.3Very high75 Ų7540.3 Ų40.335%0.3521%0.213SC..Hα-helixtrans-69.8-37.5178.6-77.1173.9176.500112.2N105 S106 M107 L111 R112N105-E109 PolarHBondContact ND2-OE1 3.38Å; N105-E109 WeakPolarHBondContact O-CG 3.46Å; N105-E109 PolarHBondContact O-N 3.12Å; S106-E109 PolarHBondContact O-N 3.4Å; M107-E109 VanDerWaalsContact C-N 3.3Å; M107-E109 PolarHBondContact O-N 3.28Å; E109-L111 PolarHBondContact O-N 2.67Å; E109-R112 WeakPolarHBondContact O-CB 3.4Å; E109-R112 WeakPolarHBondContact O-CG 3.31Å; E109-R112 PolarHBondContact O-N 3.4Å; E109-R112 VanDerWaalsContact O-N 3.07Å
110S96.9Very high96.3Very high24 Ų2439.9 Ų39.917%0.16821%0.212CC..Hα-helixtrans-65.6-20.6177.380.40000112.6S106 M107 R112 P113 E325S106-S110 PolarHBondContact O-N 3.13Å; M107-S110 PolarHBondContact O-N 3.37Å; M107-S110 PolarHBondContact O-OG 2.65Å; S110-R112 VanDerWaalsContact C-N 3.3Å; S110-R112 PolarHBondContact O-N 3.2Å; S110-P113 WeakPolarHBondContact O-CD 3.44Å; S110-E325 WeakPolarHBondContact CB-O 3.32Å; S110-E325 PolarHBondContact OG-O 2.9Å
111L97.6Very high96.3Very high0 Ų043.6 Ų43.60%023%0.226CC..THydrogen-bonded Turntrans-76.8-6.3174-61.8178.8000114.7M107 L108 E109 P113 K114 F115 T120 R121 F122 Y322 E325 T326M107-L111 WeakPolarHBondContact O-CG 3.44Å; M107-L111 PolarHBondContact O-N 3.26Å; L108-L111 WeakPolarHBondContact O-CB 3.48Å; L108-L111 PolarHBondContact O-N 3.46Å; E109-L111 PolarHBondContact O-N 2.67Å; L111-P113 VanDerWaalsContact C-N 3.27Å; L111-P113 VanDerWaalsContact O-N 3.11Å; L111-K114 WeakPolarHBondContact O-CB 3.46Å; L111-K114 PolarHBondContact O-N 3.36Å; L111-F115 HydrophobicContact CB-CD2 3.86Å; L111-F115 HydrophobicContact CB-CE2 3.83Å; L111-F115 HydrophobicContact CD1-CE2 4.13Å; L111-F115 HydrophobicContact CG-CE2 4.46Å; L111-F115 VanDerWaalsContact O-CD2 3.3Å; L111-F115 WeakPolarHBondContact O-CD2 3.48Å; L111-T120 HydrophobicContact CB-CG2 4.25Å; L111-R121 WeakPolarHBondContact CD1-O 3.35Å; L111-F122 HydrophobicContact CD1-CD1 3.82Å; L111-F122 HydrophobicContact CD1-CE1 3.99Å; L111-Y322 HydrophobicContact CD1-CD2 3.92Å; L111-Y322 HydrophobicContact CD1-CE2 4.49Å; L111-Y322 HydrophobicContact CD2-CD1 4.44Å; L111-Y322 HydrophobicContact CD2-CD2 3.79Å; L111-Y322 HydrophobicContact CD2-CG 3.61Å; L111-E325 HydrophobicContact CD2-CB 3.89Å; L111-T326 HydrophobicContact CD2-CG2 3.77Å; L111-T326 HydrophobicContact CG-CG2 4.25Å
112R96.3Very high96.4Very high129 Ų12943.9 Ų43.949%0.48723%0.227SC..G310 helixtrans-46.1-42.7-179.8-79.8176.7-170.5-1431.2114.1E109 S110 K114 F115 T120 D344E109-R112 WeakPolarHBondContact O-CB 3.4Å; E109-R112 WeakPolarHBondContact O-CG 3.31Å; E109-R112 PolarHBondContact O-N 3.4Å; E109-R112 VanDerWaalsContact O-N 3.07Å; S110-R112 VanDerWaalsContact C-N 3.3Å; S110-R112 PolarHBondContact O-N 3.2Å; R112-K114 PolarHBondContact O-N 2.97Å; R112-F115 CarbonylContact O-C 3.46Å; R112-F115 PolarHBondContact O-N 2.89Å; R112-F115 VanDerWaalsContact O-N 3.07Å; R112-T120 HydrophobicContact CB-CG2 4.39Å; R112-T120 HydrophobicContact CG-CG2 3.87Å; R112-D344 IonicContact CZ-OD2 2.72Å; R112-D344 IonicContact NH1-OD2 3.51Å; R112-D344 IonicContact NH2-OD2 3.42Å; R112-D344 PolarHBondContact NH2-OD2 3.25Å
113P95.8Very high96.5Very high106 Ų10644.4 Ų44.469%0.68823%0.23SC*.G310 helixtrans-61-25.6178.3-24.436.3000114.7S110 L111S110-P113 WeakPolarHBondContact O-CD 3.44Å; L111-P113 VanDerWaalsContact C-N 3.27Å; L111-P113 VanDerWaalsContact O-N 3.11Å
114K96.3Very high96.6Very high101 Ų10145.8 Ų45.844%0.43924%0.237SC..G310 helixtrans-82.9-16.1177.2-63.4-66.7177.6-178.70113.5L111 R112 P116 Y322 E325L111-K114 WeakPolarHBondContact O-CB 3.46Å; L111-K114 PolarHBondContact O-N 3.36Å; R112-K114 PolarHBondContact O-N 2.97Å; K114-P116 WeakPolarHBondContact O-CD 3.41Å; K114-Y322 HydrophobicContact CG-CD1 4.28Å; K114-E325 WeakPolarHBondContact CE-OE1 3.43Å; K114-E325 WeakPolarHBondContact CE-OE2 3.37Å; K114-E325 HydrophobicContact CG-CG 4.24Å; K114-E325 IonicContact NZ-OE1 2.75Å; K114-E325 PolarHBondContact NZ-OE1 3.02Å; K114-E325 IonicContact NZ-OE2 2.8Å
115F96.7Very high96.6Very high9 Ų946.1 Ų46.14%0.03924%0.238CC..  trans-127.479.8-172.8-60.2-67000110.4L111 R112 D117 G118 T120 R121 Y322L111-F115 HydrophobicContact CB-CD2 3.86Å; L111-F115 HydrophobicContact CB-CE2 3.83Å; L111-F115 HydrophobicContact CD1-CE2 4.13Å; L111-F115 HydrophobicContact CG-CE2 4.46Å; L111-F115 VanDerWaalsContact O-CD2 3.3Å; L111-F115 WeakPolarHBondContact O-CD2 3.48Å; R112-F115 CarbonylContact O-C 3.46Å; R112-F115 PolarHBondContact O-N 2.89Å; R112-F115 VanDerWaalsContact O-N 3.07Å; F115-D117 PolarHBondContact O-N 3.36Å; F115-D117 VanDerWaalsContact O-N 3.12Å; F115-G118 WeakPolarHBondContact O-CA 3.11Å; F115-G118 PolarHBondContact O-N 2.91Å; F115-T120 HydrophobicContact CB-CG2 4.22Å; F115-T120 HydrophobicContact CD2-CG2 4.09Å; F115-R121 HydrophobicContact CD1-CG 4.29Å; F115-R121 HydrophobicContact CE1-CG 3.61Å; F115-R121 VanDerWaalsContact CE1-NH2 3.33Å; F115-R121 HydrophobicContact CE2-CG 4.18Å; F115-R121 VanDerWaalsContact CE2-O 3.3Å; F115-R121 WeakPolarHBondContact CE2-O 3.44Å; F115-R121 HydrophobicContact CZ-CG 3.5Å; F115-R121 WeakPolarHBondContact CZ-O 3.44Å; F115-Y322 HydrophobicContact CE2-CE2 4.2Å; F115-Y322 HydrophobicContact CZ-CE1 4.39Å; F115-Y322 AromaticContact CZ-CE2 3.84Å; F115-Y322 HydrophobicContact CZ-CE2 3.84Å; F115-Y322 AromaticContact CZ-CZ 3.66Å
116P93.8Very high96.7Very high130 Ų13044.8 Ų44.884%0.84423%0.231SC*.THydrogen-bonded Turntrans-60.3-22-179-24.133.8000114.3K114 G118K114-P116 WeakPolarHBondContact O-CD 3.41Å; P116-G118 PolarHBondContact O-N 3.14Å
117D94.1Very high96.8Very high72 Ų7244.1 Ų44.139%0.38523%0.227SC..THydrogen-bonded Turntrans-77.11.1172.766.2-1.3000113.3F115 R119 R121F115-D117 PolarHBondContact O-N 3.36Å; F115-D117 VanDerWaalsContact O-N 3.12Å; D117-R119 PolarHBondContact O-N 3.42Å; D117-R119 WeakPolarHBondContact OD1-CB 3.05Å; D117-R119 PolarHBondContact OD1-N 2.98Å; D117-R119 IonicContact OD2-CZ 3.1Å; D117-R119 IonicContact OD2-NE 3.2Å; D117-R119 PolarHBondContact OD2-NE 2.95Å; D117-R119 IonicContact OD2-NH2 2.75Å; D117-R119 PolarHBondContact OD2-NH2 3.31Å; D117-R121 IonicContact OD1-NH1 2.94Å; D117-R121 IonicContact OD2-NH1 3.84Å
118G92.4Very high96.8Very high26 Ų2644.1 Ų44.127%0.26823%0.227SC..SBendtrans70.21.6-176.200000114.2F115 P116 T120 R235F115-G118 WeakPolarHBondContact O-CA 3.11Å; F115-G118 PolarHBondContact O-N 2.91Å; P116-G118 PolarHBondContact O-N 3.14Å; G118-T120 VanDerWaalsContact C-N 3.26Å; G118-T120 PolarHBondContact O-N 3.23Å; G118-T120 VanDerWaalsContact O-N 3.09Å; G118-R235 VanDerWaalsContact C-NH1 3.3Å; G118-R235 VanDerWaalsContact C-NH2 3.34Å; G118-R235 VanDerWaalsContact O-CZ 3.22Å; G118-R235 PolarHBondContact O-NH1 3.34Å; G118-R235 PolarHBondContact O-NH2 3.46Å
119R95.5Very high96.9Very high98 Ų9844.2 Ų44.237%0.3723%0.227SC..  trans-88.263.9-178.2-66.8179-64.7-172.2-5.2110.7D117 R121 Q231D117-R119 PolarHBondContact O-N 3.42Å; D117-R119 WeakPolarHBondContact OD1-CB 3.05Å; D117-R119 PolarHBondContact OD1-N 2.98Å; D117-R119 IonicContact OD2-CZ 3.1Å; D117-R119 IonicContact OD2-NE 3.2Å; D117-R119 PolarHBondContact OD2-NE 2.95Å; D117-R119 IonicContact OD2-NH2 2.75Å; D117-R119 PolarHBondContact OD2-NH2 3.31Å; R119-R121 PolarHBondContact O-N 3.16Å; R119-R121 PolarHBondContact O-NH1 3.25Å; R119-Q231 HydrophobicContact CG-CB 4.43Å
120T97.5Very high97Very high7 Ų740.6 Ų40.64%0.04321%0.21CC..  trans-57.8134177.958.20000111.2L108 L111 R112 F115 G118 R226 G230L108-T120 WeakPolarHBondContact O-CB 3.5Å; L108-T120 WeakPolarHBondContact O-CG2 3.47Å; L108-T120 PolarHBondContact O-OG1 2.97Å; L111-T120 HydrophobicContact CB-CG2 4.25Å; R112-T120 HydrophobicContact CB-CG2 4.39Å; R112-T120 HydrophobicContact CG-CG2 3.87Å; F115-T120 HydrophobicContact CB-CG2 4.22Å; F115-T120 HydrophobicContact CD2-CG2 4.09Å; G118-T120 VanDerWaalsContact C-N 3.26Å; G118-T120 PolarHBondContact O-N 3.23Å; G118-T120 VanDerWaalsContact O-N 3.09Å; T120-R226 PolarHBondContact O-NH1 2.96Å; T120-R226 PolarHBondContact OG1-NH2 3.41Å; T120-R226 VanDerWaalsContact OG1-NH2 3.1Å; T120-G230 VanDerWaalsContact O-CA 3.26Å; T120-G230 WeakPolarHBondContact O-CA 3.25Å
121R97.9Very high97.1Very high79 Ų7939.5 Ų39.530%0.29820%0.202SC..  trans-153.8148.2-172.455-161.1178-96.52.9109L111 F115 D117 R119 M227 Y322L111-R121 WeakPolarHBondContact CD1-O 3.35Å; F115-R121 HydrophobicContact CD1-CG 4.29Å; F115-R121 HydrophobicContact CE1-CG 3.61Å; F115-R121 VanDerWaalsContact CE1-NH2 3.33Å; F115-R121 HydrophobicContact CE2-CG 4.18Å; F115-R121 VanDerWaalsContact CE2-O 3.3Å; F115-R121 WeakPolarHBondContact CE2-O 3.44Å; F115-R121 HydrophobicContact CZ-CG 3.5Å; F115-R121 WeakPolarHBondContact CZ-O 3.44Å; D117-R121 IonicContact OD1-NH1 2.94Å; D117-R121 IonicContact OD2-NH1 3.84Å; R119-R121 PolarHBondContact O-N 3.16Å; R119-R121 PolarHBondContact O-NH1 3.25Å; R121-M227 VanDerWaalsContact CA-O 3.31Å; R121-M227 WeakPolarHBondContact CA-O 3.37Å; R121-M227 WeakPolarHBondContact CB-O 3.35Å; R121-Y322 WeakPolarHBondContact O-CE2 3.45Å
122F98.5Very high97.1Very high5 Ų540.1 Ų40.12%0.02221%0.205CC..  trans-81.9165.2171.3-62.8-58.2000110M107 L108 L111 L130 M227 D315M107-F122 HydrophobicContact CB-CE1 3.76Å; M107-F122 HydrophobicContact CB-CZ 3.71Å; M107-F122 HydrophobicContact CE-CZ 4.14Å; L108-F122 HydrophobicContact CD1-CE2 4.31Å; L108-F122 HydrophobicContact CD2-CD1 4.35Å; L108-F122 HydrophobicContact CD2-CD2 3.84Å; L108-F122 HydrophobicContact CD2-CE1 4.15Å; L108-F122 HydrophobicContact CD2-CE2 3.63Å; L108-F122 HydrophobicContact CD2-CG 4.19Å; L108-F122 HydrophobicContact CD2-CZ 3.79Å; L108-F122 HydrophobicContact CG-CD2 4.35Å; L108-F122 HydrophobicContact CG-CE1 4.33Å; L108-F122 HydrophobicContact CG-CE2 3.63Å; L108-F122 HydrophobicContact CG-CZ 3.61Å; L111-F122 HydrophobicContact CD1-CD1 3.82Å; L111-F122 HydrophobicContact CD1-CE1 3.99Å; F122-L130 HydrophobicContact CD2-CD1 3.8Å; F122-L130 HydrophobicContact CE2-CD1 3.52Å; F122-L130 HydrophobicContact CZ-CD1 4.17Å; F122-M227 HydrophobicContact CD2-CB 4.11Å; F122-M227 HydrophobicContact CD2-CG 4.12Å; F122-M227 HydrophobicContact CD2-SD 4.19Å; F122-M227 HydrophobicContact CE2-CG 4.14Å; F122-M227 HydrophobicContact CE2-SD 3.99Å; F122-M227 PolarHBondContact N-O 3.28Å; F122-M227 VanDerWaalsContact N-O 3.07Å; F122-D315 WeakPolarHBondContact CA-OD2 3.41Å; F122-D315 WeakPolarHBondContact CB-OD2 3.31Å; F122-D315 HydrophobicContact CD1-CB 4.34Å; F122-D315 WeakPolarHBondContact CD1-OD2 3.46Å
123T98.2Very high97.2Very high23 Ų2336.5 Ų36.514%0.14119%0.193CC..  trans-60.4155.4162.869.80000109.8R125 S126 C127 D315 E321 Y322T123-R125 VanDerWaalsContact C-N 3.26Å; T123-R125 PolarHBondContact O-N 3.09Å; T123-S126 PolarHBondContact O-N 2.81Å; T123-S126 PolarHBondContact OG1-N 3.43Å; T123-S126 PolarHBondContact OG1-OG 2.75Å; T123-C127 PolarHBondContact O-N 3.14Å; T123-C127 PolarHBondContact O-SG 3.41Å; T123-D315 VanDerWaalsContact CB-OD1 3.29Å; T123-D315 WeakPolarHBondContact CB-OD1 3.4Å; T123-D315 WeakPolarHBondContact CG2-OD1 3.39Å; T123-D315 PolarHBondContact N-OD2 3.43Å; T123-D315 PolarHBondContact OG1-OD1 2.87Å; T123-E321 HydrophobicContact CG2-CB 3.75Å; T123-E321 HydrophobicContact CG2-CG 4.36Å; T123-E321 VanDerWaalsContact CG2-OE2 3.28Å; T123-E321 WeakPolarHBondContact CG2-OE2 3.3Å; T123-Y322 HydrophobicContact CG2-CD2 4.4Å; T123-Y322 HydrophobicContact CG2-CE2 3.98Å
124L98.3Very high97.4Very high32 Ų3231.4 Ų31.417%0.16816%0.16CC..Hα-helixtrans-60.6-37.8-179.2-179.460.3000111.7S126 C127 L128 T228 P271 I302 K306 Y308L124-S126 VanDerWaalsContact C-N 3.35Å; L124-S126 PolarHBondContact O-N 2.76Å; L124-C127 WeakPolarHBondContact O-CB 3.02Å; L124-C127 PolarHBondContact O-N 3.35Å; L124-L128 HydrophobicContact CD1-CD1 4.35Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 4.11Å; L124-L128 HydrophobicContact CG-CG 4.43Å; L124-L128 VanDerWaalsContact O-CG 3.24Å; L124-L128 WeakPolarHBondContact O-CG 3.25Å; L124-L128 PolarHBondContact O-N 3.47Å; L124-T228 HydrophobicContact CD1-CG2 4.13Å; L124-P271 HydrophobicContact CD1-CG 3.83Å; L124-P271 HydrophobicContact CD2-CG 4.28Å; L124-I302 HydrophobicContact CD2-CG2 3.94Å; L124-I302 HydrophobicContact CG-CG2 4.43Å; L124-K306 HydrophobicContact CD2-CD 4.5Å; L124-K306 HydrophobicContact CD2-CG 4.17Å; L124-Y308 HydrophobicContact CB-CE2 4.3Å; L124-Y308 HydrophobicContact CD2-CE2 4.24Å; L124-Y308 HydrophobicContact CG-CE2 4.15Å
125R98Very high97.5Very high7 Ų726.6 Ų26.63%0.02614%0.139CC..Hα-helixtrans-58.9-46.7176.9172.463.3-167.898.4-3.8111.5T123 L128 H129 Y308 Q309 E310 F312 L314T123-R125 VanDerWaalsContact C-N 3.26Å; T123-R125 PolarHBondContact O-N 3.09Å; R125-L128 PolarHBondContact O-N 3.01Å; R125-H129 PolarHBondContact O-N 3.44Å; R125-H129 VanDerWaalsContact O-N 3.15Å; R125-Y308 HydrophobicContact CB-CD1 4.41Å; R125-Y308 HydrophobicContact CB-CD2 4.2Å; R125-Y308 HydrophobicContact CB-CE1 4.27Å; R125-Y308 HydrophobicContact CB-CE2 4.05Å; R125-Y308 HydrophobicContact CB-CG 4.39Å; R125-Q309 PolarHBondContact NE-O 3.07Å; R125-Q309 VanDerWaalsContact NE-O 3.14Å; R125-E310 PolarHBondContact NH2-O 3.42Å; R125-E310 IonicContact NH2-OE2 3.52Å; R125-E310 PolarHBondContact NH2-OE2 3.2Å; R125-E310 VanDerWaalsContact NH2-OE2 3.15Å; R125-F312 HydrophobicContact CG-CB 4.35Å; R125-L314 HydrophobicContact CG-CD2 4.11Å
126S98.5Very high97.6Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-66.5-42.2177.8-64.40000112T123 L124 L128 H129 L130 L314 D315T123-S126 PolarHBondContact O-N 2.81Å; T123-S126 PolarHBondContact OG1-N 3.43Å; T123-S126 PolarHBondContact OG1-OG 2.75Å; L124-S126 VanDerWaalsContact C-N 3.35Å; L124-S126 PolarHBondContact O-N 2.76Å; S126-L128 VanDerWaalsContact C-N 3.32Å; S126-L128 PolarHBondContact O-N 3.31Å; S126-H129 WeakPolarHBondContact O-CB 3.4Å; S126-H129 PolarHBondContact O-N 2.84Å; S126-L130 WeakPolarHBondContact O-CG 3.46Å; S126-L130 PolarHBondContact O-N 2.81Å; S126-L314 WeakPolarHBondContact OG-CA 3.37Å; S126-D315 WeakPolarHBondContact CB-OD1 3.31Å; S126-D315 PolarHBondContact OG-N 3.41Å; S126-D315 PolarHBondContact OG-OD1 2.82Å
127C98.5Very high97.8Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-55.3-47173-69.80000112T123 L124 L130 A131 M227 T228T123-C127 PolarHBondContact O-N 3.14Å; T123-C127 PolarHBondContact O-SG 3.41Å; L124-C127 WeakPolarHBondContact O-CB 3.02Å; L124-C127 PolarHBondContact O-N 3.35Å; C127-L130 PolarHBondContact O-N 3Å; C127-A131 WeakPolarHBondContact O-CB 3.49Å; C127-A131 PolarHBondContact O-N 3.21Å; C127-M227 VanDerWaalsContact SG-C 3.54Å; C127-M227 PolarHBondContact SG-O 3.33Å; C127-M227 VanDerWaalsContact SG-O 3.38Å; C127-T228 VanDerWaalsContact SG-CA 3.59Å
128L98.7Very high98.1Very high0 Ų018.5 Ų18.50%09%0.089CC..Hα-helixtrans-64.3-41.2-178.5-68.3170.2000111.9L124 R125 S126 A131 Q132 L299 I302 M303 Y308L124-L128 HydrophobicContact CD1-CD1 4.35Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 4.11Å; L124-L128 HydrophobicContact CG-CG 4.43Å; L124-L128 VanDerWaalsContact O-CG 3.24Å; L124-L128 WeakPolarHBondContact O-CG 3.25Å; L124-L128 PolarHBondContact O-N 3.47Å; R125-L128 PolarHBondContact O-N 3.01Å; S126-L128 VanDerWaalsContact C-N 3.32Å; S126-L128 PolarHBondContact O-N 3.31Å; L128-A131 PolarHBondContact O-N 3.43Å; L128-Q132 WeakPolarHBondContact O-CG 3.18Å; L128-Q132 PolarHBondContact O-N 3.4Å; L128-Q132 PolarHBondContact O-OE1 2.79Å; L128-L299 HydrophobicContact CD2-CB 4.36Å; L128-L299 HydrophobicContact CD2-CD2 3.78Å; L128-I302 HydrophobicContact CD1-CB 4.05Å; L128-I302 HydrophobicContact CD1-CG2 3.66Å; L128-I302 HydrophobicContact CD2-CB 4.16Å; L128-I302 HydrophobicContact CD2-CD1 3.77Å; L128-I302 HydrophobicContact CD2-CG2 4.28Å; L128-M303 HydrophobicContact CB-SD 4Å; L128-M303 HydrophobicContact CD1-CG 3.93Å; L128-M303 HydrophobicContact CD1-SD 3.57Å; L128-M303 VanDerWaalsContact CD1-SD 3.57Å; L128-M303 HydrophobicContact CG-SD 4.42Å; L128-Y308 HydrophobicContact CD1-CD2 4.09Å; L128-Y308 HydrophobicContact CD1-CE2 4.34Å
129H98.6Very high98.4Very high5 Ų519.9 Ų19.92%0.0239%0.088CC..Hα-helixtrans-57.5-55.2173.9-174.574000111.3R125 S126 A131 Q132 K133 R165 L314R125-H129 PolarHBondContact O-N 3.44Å; R125-H129 VanDerWaalsContact O-N 3.15Å; S126-H129 WeakPolarHBondContact O-CB 3.4Å; S126-H129 PolarHBondContact O-N 2.84Å; H129-A131 VanDerWaalsContact C-N 3.27Å; H129-A131 PolarHBondContact O-N 3.13Å; H129-Q132 PolarHBondContact O-N 3.2Å; H129-K133 VanDerWaalsContact O-CG 3.27Å; H129-K133 WeakPolarHBondContact O-CG 3.35Å; H129-K133 PolarHBondContact O-N 3.37Å; H129-K133 VanDerWaalsContact O-N 3.09Å; H129-R165 PolarHBondContact CE1-O 2.67Å; H129-R165 PolarHBondContact NE2-O 3.04Å; H129-L314 HydrophobicContact CB-CD1 4.16Å; H129-L314 HydrophobicContact CB-CD2 3.9Å; H129-L314 VanDerWaalsContact CD2-CD1 3.4Å; H129-L314 WeakPolarHBondContact CD2-CD1 3.3Å
130L98.8Very high98.5Very high0 Ų016.4 Ų16.40%08%0.077CC..Hα-helixtrans-61.5-38-179.3-63.1-174.6000111.5F104 M107 F122 S126 C127 S134 T158 V167 M227 W316F104-L130 HydrophobicContact CD1-CD1 4.02Å; F104-L130 HydrophobicContact CD1-CD2 4.09Å; F104-L130 HydrophobicContact CD2-CD1 4.22Å; F104-L130 HydrophobicContact CE1-CD1 4.17Å; F104-L130 HydrophobicContact CE1-CD2 3.46Å; F104-L130 VanDerWaalsContact CE1-CD2 3.46Å; F104-L130 HydrophobicContact CE1-CG 4.24Å; F104-L130 HydrophobicContact CE2-CB 3.92Å; F104-L130 HydrophobicContact CE2-CD1 4.33Å; F104-L130 HydrophobicContact CE2-CD2 4.35Å; F104-L130 HydrophobicContact CE2-CG 4.42Å; F104-L130 HydrophobicContact CG-CD1 4.06Å; F104-L130 HydrophobicContact CZ-CB 3.93Å; F104-L130 HydrophobicContact CZ-CD1 4.3Å; F104-L130 HydrophobicContact CZ-CD2 3.59Å; F104-L130 HydrophobicContact CZ-CG 4.13Å; M107-L130 HydrophobicContact CE-CD1 4.48Å; F122-L130 HydrophobicContact CD2-CD1 3.8Å; F122-L130 HydrophobicContact CE2-CD1 3.52Å; F122-L130 HydrophobicContact CZ-CD1 4.17Å; S126-L130 WeakPolarHBondContact O-CG 3.46Å; S126-L130 PolarHBondContact O-N 2.81Å; C127-L130 PolarHBondContact O-N 3Å; L130-S134 VanDerWaalsContact O-CB 3.25Å; L130-S134 WeakPolarHBondContact O-CB 3.47Å; L130-S134 PolarHBondContact O-N 2.86Å; L130-S134 PolarHBondContact O-OG 3.05Å; L130-T158 HydrophobicContact CD2-CG2 4.43Å; L130-V167 HydrophobicContact CD2-CG2 3.99Å; L130-M227 HydrophobicContact CB-CE 4.34Å; L130-M227 HydrophobicContact CD1-SD 4.09Å; L130-W316 HydrophobicContact CD1-CH2 3.97Å; L130-W316 HydrophobicContact CD1-CZ3 4.04Å; L130-W316 HydrophobicContact CD2-CH2 3.35Å; L130-W316 HydrophobicContact CD2-CZ2 3.85Å; L130-W316 HydrophobicContact CD2-CZ3 4.2Å; L130-W316 HydrophobicContact CG-CH2 3.64Å; L130-W316 HydrophobicContact CG-CZ3 4.21Å
131A98.8Very high98.6Very high0 Ų016.2 Ų16.20%08%0.075CC..Hα-helixtrans-63.9-48.5178.600000112.2C127 L128 H129 S134 L135 W220 L224 L299C127-A131 WeakPolarHBondContact O-CB 3.49Å; C127-A131 PolarHBondContact O-N 3.21Å; L128-A131 PolarHBondContact O-N 3.43Å; H129-A131 VanDerWaalsContact C-N 3.27Å; H129-A131 PolarHBondContact O-N 3.13Å; A131-S134 PolarHBondContact O-OG 3.04Å; A131-L135 WeakPolarHBondContact O-CB 3.5Å; A131-L135 PolarHBondContact O-N 2.8Å; A131-W220 HydrophobicContact CB-CZ2 4.02Å; A131-W220 PolarHBondContact O-NE1 3.18Å; A131-W220 VanDerWaalsContact O-NE1 3.12Å; A131-L224 HydrophobicContact CB-CD1 3.61Å; A131-L224 HydrophobicContact CB-CD2 4.39Å; A131-L299 HydrophobicContact CB-CD1 3.96Å; A131-L299 HydrophobicContact CB-CD2 4.18Å
132Q98.7Very high98.6Very high13 Ų1312.6 Ų12.66%0.0616%0.062CC..Hα-helixtrans-60.2-53.2178.2-73.8167.5-39.900110.3L128 H129 S134 L135 E136 L299 N300L128-Q132 WeakPolarHBondContact O-CG 3.18Å; L128-Q132 PolarHBondContact O-N 3.4Å; L128-Q132 PolarHBondContact O-OE1 2.79Å; H129-Q132 PolarHBondContact O-N 3.2Å; Q132-S134 PolarHBondContact O-N 3.13Å; Q132-L135 WeakPolarHBondContact O-CB 3.15Å; Q132-L135 PolarHBondContact O-N 3.39Å; Q132-L135 VanDerWaalsContact O-N 3.15Å; Q132-E136 VanDerWaalsContact O-CG 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.42Å; Q132-E136 PolarHBondContact O-N 3.33Å; Q132-L299 HydrophobicContact CG-CB 4.19Å; Q132-L299 HydrophobicContact CG-CD1 3.79Å; Q132-N300 PolarHBondContact NE2-OD1 3.15Å
133K98.7Very high98.6Very high53 Ų5318.4 Ų18.423%0.239%0.093CC..Hα-helixtrans-65.3-41.9-175.7-57.4-70.9163.6-160.30112.7H79 H129 L135 E136 S137 V167H79-K133 PolarHBondContact CD2-O 3.1Å; H79-K133 WeakPolarHBondContact CE1-CD 3.32Å; H129-K133 VanDerWaalsContact O-CG 3.27Å; H129-K133 WeakPolarHBondContact O-CG 3.35Å; H129-K133 PolarHBondContact O-N 3.37Å; H129-K133 VanDerWaalsContact O-N 3.09Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-L135 PolarHBondContact O-N 3.19Å; K133-E136 IonicContact NZ-OE1 3.49Å; K133-E136 IonicContact NZ-OE2 2.63Å; K133-E136 PolarHBondContact O-N 3.04Å; K133-S137 PolarHBondContact O-N 2.79Å; K133-V167 HydrophobicContact CB-CB 3.7Å; K133-V167 HydrophobicContact CB-CG1 4.17Å; K133-V167 HydrophobicContact CB-CG2 3.71Å; K133-V167 HydrophobicContact CG-CB 4.46Å; K133-V167 HydrophobicContact CG-CG2 4.13Å
134S98.8Very high98.5Very high0 Ų017.5 Ų17.50%09%0.087CC..Hα-helixtrans-65.3-36.3174.156.70000112.4L130 A131 Q132 S137 L138 W220L130-S134 VanDerWaalsContact O-CB 3.25Å; L130-S134 WeakPolarHBondContact O-CB 3.47Å; L130-S134 PolarHBondContact O-N 2.86Å; L130-S134 PolarHBondContact O-OG 3.05Å; A131-S134 PolarHBondContact O-OG 3.04Å; Q132-S134 PolarHBondContact O-N 3.13Å; S134-S137 VanDerWaalsContact O-CB 3.32Å; S134-S137 WeakPolarHBondContact O-CB 3.45Å; S134-S137 PolarHBondContact O-N 3.25Å; S134-L138 WeakPolarHBondContact O-CG 3.45Å; S134-L138 PolarHBondContact O-N 2.94Å; S134-L138 VanDerWaalsContact O-N 3.1Å; S134-W220 VanDerWaalsContact OG-CD1 3.26Å; S134-W220 PolarHBondContact OG-NE1 3.26Å
135L98.9Very high98.5Very high0 Ų016.2 Ų16.20%08%0.082CC..Hα-helixtrans-67.8-41.7175.9-177.362.9000112.3A131 Q132 K133 S137 L138 Q139 L217 W220 Y292 C295 Y296A131-L135 WeakPolarHBondContact O-CB 3.5Å; A131-L135 PolarHBondContact O-N 2.8Å; Q132-L135 WeakPolarHBondContact O-CB 3.15Å; Q132-L135 PolarHBondContact O-N 3.39Å; Q132-L135 VanDerWaalsContact O-N 3.15Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-L135 PolarHBondContact O-N 3.19Å; L135-S137 VanDerWaalsContact C-N 3.27Å; L135-S137 PolarHBondContact O-N 2.72Å; L135-L138 PolarHBondContact O-N 3.43Å; L135-Q139 PolarHBondContact O-N 3.48Å; L135-L217 HydrophobicContact CD1-CD2 4.48Å; L135-L217 HydrophobicContact CD1-CG 4.35Å; L135-W220 HydrophobicContact CB-CZ2 3.87Å; L135-W220 HydrophobicContact CD1-CD2 4.35Å; L135-W220 HydrophobicContact CD1-CE3 4.47Å; L135-W220 HydrophobicContact CD1-CZ2 4.38Å; L135-W220 HydrophobicContact CD2-CH2 4.05Å; L135-W220 HydrophobicContact CD2-CZ2 4.02Å; L135-W220 HydrophobicContact CG-CZ2 4.31Å; L135-Y292 HydrophobicContact CD1-CD1 3.97Å; L135-C295 HydrophobicContact CD2-CB 3.45Å; L135-C295 VanDerWaalsContact CD2-CB 3.45Å; L135-Y296 HydrophobicContact CB-CE1 4.03Å; L135-Y296 HydrophobicContact CD2-CD1 3.74Å; L135-Y296 HydrophobicContact CD2-CE1 3.45Å; L135-Y296 VanDerWaalsContact CD2-CE1 3.45Å; L135-Y296 HydrophobicContact CD2-CG 4.4Å; L135-Y296 HydrophobicContact CG-CE1 3.74Å
136E98.8Very high98.5Very high30 Ų3016.4 Ų16.414%0.148%0.083CC..Hα-helixtrans-55.1-43170.6-69.2175.5-15000111.5R78 H79 Q132 K133 L138 Q139 D140 Y296R78-E136 VanDerWaalsContact NH1-CG 3.3Å; R78-E136 IonicContact NH1-OE2 2.69Å; R78-E136 PolarHBondContact NH2-O 3.07Å; H79-E136 WeakPolarHBondContact CD2-CB 3.44Å; H79-E136 IonicContact CD2-OE2 3.69Å; H79-E136 IonicContact CE1-OE2 3.15Å; H79-E136 WeakPolarHBondContact NE2-CB 3.23Å; H79-E136 IonicContact NE2-OE2 3.94Å; H79-E136 PolarHBondContact NE2-OE2 2.84Å; Q132-E136 VanDerWaalsContact O-CG 3.28Å; Q132-E136 WeakPolarHBondContact O-CG 3.42Å; Q132-E136 PolarHBondContact O-N 3.33Å; K133-E136 IonicContact NZ-OE1 3.49Å; K133-E136 IonicContact NZ-OE2 2.63Å; K133-E136 PolarHBondContact O-N 3.04Å; E136-L138 PolarHBondContact O-N 3.44Å; E136-Q139 PolarHBondContact O-N 2.82Å; E136-D140 PolarHBondContact O-N 2.86Å; E136-Y296 WeakPolarHBondContact CA-OH 3.5Å; E136-Y296 HydrophobicContact CG-CE1 3.92Å; E136-Y296 PolarHBondContact N-OH 2.96Å
137S98.7Very high98.4Very high10 Ų1016.4 Ų16.47%0.078%0.083CC..Hα-helixtrans-60.2-46.1175.5-164.10000112.5H79 K133 S134 L135 Q139 D140 L141 C169H79-S137 PolarHBondContact O-OG 3.49Å; K133-S137 PolarHBondContact O-N 2.79Å; S134-S137 VanDerWaalsContact O-CB 3.32Å; S134-S137 WeakPolarHBondContact O-CB 3.45Å; S134-S137 PolarHBondContact O-N 3.25Å; L135-S137 VanDerWaalsContact C-N 3.27Å; L135-S137 PolarHBondContact O-N 2.72Å; S137-Q139 VanDerWaalsContact C-N 3.35Å; S137-Q139 PolarHBondContact O-N 2.96Å; S137-D140 PolarHBondContact O-N 3.39Å; S137-L141 WeakPolarHBondContact O-CB 3.46Å; S137-L141 PolarHBondContact O-N 2.89Å; S137-C169 WeakPolarHBondContact OG-CB 3.27Å
138L98.8Very high98.4Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-64.7-40177.3-64.1-175.8000111.9S134 L135 E136 D140 L141 H142 I151 F156 L217 W220S134-L138 WeakPolarHBondContact O-CG 3.45Å; S134-L138 PolarHBondContact O-N 2.94Å; S134-L138 VanDerWaalsContact O-N 3.1Å; L135-L138 PolarHBondContact O-N 3.43Å; E136-L138 PolarHBondContact O-N 3.44Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 3.45Å; L138-L141 PolarHBondContact O-N 2.89Å; L138-H142 VanDerWaalsContact O-CB 3.31Å; L138-H142 WeakPolarHBondContact O-CB 3.42Å; L138-H142 PolarHBondContact O-N 2.98Å; L138-H142 PolarHBondContact O-ND1 2.8Å; L138-I151 HydrophobicContact CD2-CD1 3.43Å; L138-I151 VanDerWaalsContact CD2-CD1 3.43Å; L138-I151 HydrophobicContact CD2-CG1 3.88Å; L138-F156 HydrophobicContact CD2-CZ 4.5Å; L138-L217 HydrophobicContact CD1-CD1 4.33Å; L138-W220 HydrophobicContact CD1-CB 3.71Å; L138-W220 HydrophobicContact CD1-CG 4.1Å
139Q98.8Very high98.3Very high56 Ų5618.1 Ų18.126%0.2629%0.089SC..Hα-helixtrans-59.5-46.4176.8-171.4-177.530.900110.7L135 E136 S137 H142 L143 Y292 Y296L135-Q139 PolarHBondContact O-N 3.48Å; E136-Q139 PolarHBondContact O-N 2.82Å; S137-Q139 VanDerWaalsContact C-N 3.35Å; S137-Q139 PolarHBondContact O-N 2.96Å; Q139-H142 PolarHBondContact O-N 3.06Å; Q139-L143 WeakPolarHBondContact O-CB 3.11Å; Q139-L143 PolarHBondContact O-N 3.49Å; Q139-Y292 HydrophobicContact CB-CD1 3.74Å; Q139-Y292 HydrophobicContact CB-CE1 3.94Å; Q139-Y292 HydrophobicContact CB-CG 4.2Å; Q139-Y292 HydrophobicContact CG-CD1 3.94Å; Q139-Y292 HydrophobicContact CG-CD2 4.09Å; Q139-Y292 HydrophobicContact CG-CE1 4.26Å; Q139-Y292 HydrophobicContact CG-CE2 4.43Å; Q139-Y292 HydrophobicContact CG-CG 3.87Å; Q139-Y296 PolarHBondContact OE1-OH 3.32Å; Q139-Y296 VanDerWaalsContact OE1-OH 3.06Å
140D98.7Very high98.1Very high24 Ų2418.4 Ų18.413%0.1289%0.091CC..Hα-helixtrans-65.9-41179.9-66.2-8.8000111.8A77 R78 E136 S137 L138 L143 A144A77-D140 HydrophobicContact CB-CB 3.86Å; R78-D140 WeakPolarHBondContact CB-OD2 3.21Å; R78-D140 WeakPolarHBondContact CG-OD2 3.01Å; R78-D140 IonicContact CZ-OD1 3.75Å; R78-D140 IonicContact CZ-OD2 3.65Å; R78-D140 PolarHBondContact N-OD2 2.83Å; R78-D140 IonicContact NE-OD1 3.87Å; R78-D140 PolarHBondContact NE-OD1 2.98Å; R78-D140 IonicContact NE-OD2 3.83Å; R78-D140 PolarHBondContact NE-OD2 3.28Å; R78-D140 IonicContact NH2-OD1 3.73Å; R78-D140 PolarHBondContact NH2-OD1 3.11Å; R78-D140 IonicContact NH2-OD2 3.3Å; E136-D140 PolarHBondContact O-N 2.86Å; S137-D140 PolarHBondContact O-N 3.39Å; L138-D140 VanDerWaalsContact C-N 3.33Å; L138-D140 PolarHBondContact O-N 3.45Å; D140-L143 PolarHBondContact O-N 3.34Å; D140-A144 PolarHBondContact O-N 3.49Å
141L98.6Very high98.1Very high3 Ų318.5 Ų18.52%0.0169%0.092CC..Hα-helixtrans-62.3-44.9175.5-175.170.8000112.1V68 L72 S137 L138 A144 G145 Y146 H148 F172V68-L141 HydrophobicContact CG1-CD1 3.86Å; L72-L141 HydrophobicContact CD1-CD1 3.93Å; L72-L141 HydrophobicContact CD2-CD1 4.24Å; S137-L141 WeakPolarHBondContact O-CB 3.46Å; S137-L141 PolarHBondContact O-N 2.89Å; L138-L141 PolarHBondContact O-N 2.89Å; L141-A144 WeakPolarHBondContact O-CB 3.4Å; L141-A144 PolarHBondContact O-N 3.3Å; L141-G145 PolarHBondContact O-N 2.98Å; L141-Y146 CarbonylContact C-O 3.41Å; L141-Y146 PolarHBondContact O-N 2.87Å; L141-Y146 VanDerWaalsContact O-N 3.14Å; L141-H148 HydrophobicContact CD2-CB 3.56Å; L141-F172 HydrophobicContact CD1-CD1 4.27Å; L141-F172 HydrophobicContact CD1-CE1 4.17Å
142H98.6Very high98Very high4 Ų418.8 Ų18.82%0.0199%0.093CC..Hα-helixtrans-65.7-39.6177.7-69135.4000111.7L138 Q139 A144 G145 Y146 Y178 R213 D216 Y292L138-H142 VanDerWaalsContact O-CB 3.31Å; L138-H142 WeakPolarHBondContact O-CB 3.42Å; L138-H142 PolarHBondContact O-N 2.98Å; L138-H142 PolarHBondContact O-ND1 2.8Å; Q139-H142 PolarHBondContact O-N 3.06Å; H142-A144 VanDerWaalsContact C-N 3.26Å; H142-A144 PolarHBondContact O-N 2.75Å; H142-G145 WeakPolarHBondContact O-CA 3.32Å; H142-G145 PolarHBondContact O-N 2.82Å; H142-Y146 PolarHBondContact CD2-O 3.46Å; H142-Y146 VanDerWaalsContact CD2-O 3.25Å; H142-Y178 PolarHBondContact O-OH 3.32Å; H142-R213 HydrophobicContact CB-CG 4.32Å; H142-D216 IonicContact CE1-OD2 2.83Å; H142-D216 IonicContact NE2-OD2 3.52Å; H142-D216 PolarHBondContact NE2-OD2 2.96Å; H142-D216 VanDerWaalsContact NE2-OD2 3.16Å; H142-Y292 WeakPolarHBondContact CB-OH 3.44Å; H142-Y292 VanDerWaalsContact CG-OH 3.26Å; H142-Y292 AromaticContact ND1-CE1 3.88Å; H142-Y292 AromaticContact ND1-CZ 3.72Å; H142-Y292 PolarHBondContact ND1-OH 2.91Å
143L97.4Very high97.9Very high126 Ų12618.1 Ų18.166%0.669%0.09SC*.Hα-helixtrans-64.1-30.8174.2-175.464000112.2R75 Q139 D140 G145R75-L143 PolarHBondContact NH1-O 3.03Å; Q139-L143 WeakPolarHBondContact O-CB 3.11Å; Q139-L143 PolarHBondContact O-N 3.49Å; D140-L143 PolarHBondContact O-N 3.34Å; L143-G145 PolarHBondContact O-N 2.88Å
144A97.3Very high97.7Very high4 Ų417.4 Ų17.43%0.0339%0.087CC..THydrogen-bonded Turntrans-73.6-5.4170.300000113.8E71 L72 D140 L141 H142 Y146E71-A144 HydrophobicContact CG-CB 4.25Å; L72-A144 HydrophobicContact CD2-CB 3.78Å; D140-A144 PolarHBondContact O-N 3.49Å; L141-A144 WeakPolarHBondContact O-CB 3.4Å; L141-A144 PolarHBondContact O-N 3.3Å; H142-A144 VanDerWaalsContact C-N 3.26Å; H142-A144 PolarHBondContact O-N 2.75Å; A144-Y146 HydrophobicContact CB-CD2 4.07Å; A144-Y146 VanDerWaalsContact O-CD2 3.25Å; A144-Y146 WeakPolarHBondContact O-CD2 3.44Å; A144-Y146 WeakPolarHBondContact O-CE2 2.97Å
145G97.6Very high97.6Very high5 Ų517.5 Ų17.55%0.0529%0.087CC..THydrogen-bonded Turntrans84.519.5176.800000114.2L141 H142 L143 K177 Y178L141-G145 PolarHBondContact O-N 2.98Å; H142-G145 WeakPolarHBondContact O-CA 3.32Å; H142-G145 PolarHBondContact O-N 2.82Å; L143-G145 PolarHBondContact O-N 2.88Å; G145-K177 CarbonylContact O-C 3.54Å; G145-K177 VanDerWaalsContact O-CA 3.32Å; G145-K177 WeakPolarHBondContact O-CA 3.48Å; G145-K177 WeakPolarHBondContact O-CG 3.42Å; G145-Y178 VanDerWaalsContact CA-CE1 3.5Å; G145-Y178 WeakPolarHBondContact O-CD1 3.36Å; G145-Y178 WeakPolarHBondContact O-CE1 3.19Å; G145-Y178 PolarHBondContact O-N 3.32Å
146Y98Very high97.6Very high11 Ų1117.5 Ų17.54%0.0439%0.087CC..EExtended strand (participates in β ladder)trans-113.8147.8178-66-91.7000111.8V68 E71 L141 H142 A144 C175 R176 K177V68-Y146 HydrophobicContact CG2-CD1 3.78Å; V68-Y146 HydrophobicContact CG2-CE1 3.75Å; V68-Y146 HydrophobicContact CG2-CG 4.32Å; E71-Y146 HydrophobicContact CG-CE2 4.29Å; L141-Y146 CarbonylContact C-O 3.41Å; L141-Y146 PolarHBondContact O-N 2.87Å; L141-Y146 VanDerWaalsContact O-N 3.14Å; H142-Y146 PolarHBondContact CD2-O 3.46Å; H142-Y146 VanDerWaalsContact CD2-O 3.25Å; A144-Y146 HydrophobicContact CB-CD2 4.07Å; A144-Y146 VanDerWaalsContact O-CD2 3.25Å; A144-Y146 WeakPolarHBondContact O-CD2 3.44Å; A144-Y146 WeakPolarHBondContact O-CE2 2.97Å; Y146-C175 HydrophobicContact CD1-CB 4.5Å; Y146-R176 WeakPolarHBondContact CA-O 3.49Å; Y146-K177 HydrophobicContact CD1-CB 3.95Å; Y146-K177 HydrophobicContact CD1-CG 4.24Å; Y146-K177 HydrophobicContact CE1-CB 3.68Å; Y146-K177 HydrophobicContact CE1-CD 4.2Å; Y146-K177 HydrophobicContact CE1-CG 3.89Å; Y146-K177 HydrophobicContact CE2-CD 4.43Å; Y146-K177 HydrophobicContact CE2-CG 4.33Å
147L97.8Very high97.5Very high0 Ų016 Ų160%08%0.081CC..EExtended strand (participates in β ladder)trans-102.4141.8162.9-54.6176.7000107.8R149 C175 R176 Y178 Q211 R213 D216L147-R149 HydrophobicContact CB-CG 3.77Å; L147-C175 CarbonylContact O-C 3.37Å; L147-C175 WeakPolarHBondContact O-CA 2.98Å; L147-C175 PolarHBondContact O-SG 3.35Å; L147-R176 PolarHBondContact N-O 2.81Å; L147-R176 PolarHBondContact O-N 3.33Å; L147-Y178 HydrophobicContact CD1-CG 4.49Å; L147-Y178 HydrophobicContact CD2-CD1 3.65Å; L147-Y178 HydrophobicContact CD2-CE1 4.07Å; L147-Y178 HydrophobicContact CD2-CG 4.04Å; L147-Y178 HydrophobicContact CG-CD1 3.7Å; L147-Y178 HydrophobicContact CG-CG 4Å; L147-Q211 HydrophobicContact CD1-CB 4.14Å; L147-Q211 WeakPolarHBondContact CD1-O 3.36Å; L147-R213 HydrophobicContact CD2-CB 4.36Å; L147-R213 HydrophobicContact CD2-CG 3.85Å; L147-D216 WeakPolarHBondContact CA-OD2 3.22Å
148H97.4Very high97.5Very high0 Ų015.7 Ų15.70%08%0.078CC..  trans-75.5-48.1176.4-166.7-61.8000111.8L141 D150 I151 C169 L170 D171 M174 D216L141-H148 HydrophobicContact CD2-CB 3.56Å; H148-D150 VanDerWaalsContact C-N 3.25Å; H148-D150 PolarHBondContact ND1-N 3.22Å; H148-D150 PolarHBondContact O-N 2.74Å; H148-I151 HydrophobicContact CB-CD1 3.43Å; H148-I151 VanDerWaalsContact CB-CD1 3.43Å; H148-I151 HydrophobicContact CB-CG1 3.99Å; H148-C169 PolarHBondContact CD2-SG 3.23Å; H148-L170 PolarHBondContact NE2-O 2.82Å; H148-D171 PolarHBondContact CE1-O 3.49Å; H148-D171 PolarHBondContact NE2-O 3.33Å; H148-M174 CarbonylContact O-C 3.51Å; H148-D216 PolarHBondContact N-OD2 2.69Å
149R96.1Very high97.4Very high36 Ų3616 Ų1614%0.1368%0.081CC..SBendtrans69.97.5178.2-50-162-65.6162.6-0.4116.9L147 M174 C175 D216L147-R149 HydrophobicContact CB-CG 3.77Å; R149-M174 PolarHBondContact NE-O 3.3Å; R149-M174 PolarHBondContact NH2-O 3.36Å; R149-C175 PolarHBondContact NH2-O 3.29Å; R149-D216 WeakPolarHBondContact CA-OD1 3.34Å; R149-D216 PolarHBondContact N-OD1 2.78Å
150D95.5Very high97.2Very high12 Ų1216.3 Ų16.36%0.0648%0.08CC..  trans-152.450.9178.2-161.337.4000112.1H148 K152 N155 M174 G196 T197H148-D150 VanDerWaalsContact C-N 3.25Å; H148-D150 PolarHBondContact ND1-N 3.22Å; H148-D150 PolarHBondContact O-N 2.74Å; D150-K152 PolarHBondContact O-N 3.1Å; D150-K152 IonicContact OD1-NZ 3.63Å; D150-K152 WeakPolarHBondContact OD2-CE 3.39Å; D150-K152 IonicContact OD2-NZ 2.6Å; D150-K152 PolarHBondContact OD2-NZ 2.8Å; D150-N155 PolarHBondContact O-ND2 3.37Å; D150-N155 PolarHBondContact OD2-ND2 2.93Å; D150-M174 HydrophobicContact CB-CB 4.2Å; D150-M174 HydrophobicContact CB-CG 4.34Å; D150-G196 VanDerWaalsContact OD1-CA 3.25Å; D150-G196 WeakPolarHBondContact OD1-CA 3.44Å; D150-T197 PolarHBondContact OD1-N 3.09Å; D150-T197 PolarHBondContact OD1-OG1 3.2Å
151I97.8Very high96.7Very high2 Ų220.8 Ų20.81%0.0111%0.11CC..  trans-75.7119.7-179.9-62.4-50.9000110.3L138 H148 F156 Y200 D216 W220L138-I151 HydrophobicContact CD2-CD1 3.43Å; L138-I151 VanDerWaalsContact CD2-CD1 3.43Å; L138-I151 HydrophobicContact CD2-CG1 3.88Å; H148-I151 HydrophobicContact CB-CD1 3.43Å; H148-I151 VanDerWaalsContact CB-CD1 3.43Å; H148-I151 HydrophobicContact CB-CG1 3.99Å; I151-F156 HydrophobicContact CD1-CE2 4.16Å; I151-F156 HydrophobicContact CD1-CZ 4.1Å; I151-F156 HydrophobicContact CG2-CE2 4.04Å; I151-Y200 WeakPolarHBondContact O-CB 3.34Å; I151-D216 HydrophobicContact CG1-CB 4.07Å; I151-W220 HydrophobicContact CG2-CB 4.08Å
152K96.5Very high96.4Very high5 Ų525.5 Ų25.52%0.02214%0.141CC..SBendtrans-161.9159.3-178.263.2-167.4-174.3-156.70110.8D150 Q154 N155 F156 T197 Y200D150-K152 PolarHBondContact O-N 3.1Å; D150-K152 IonicContact OD1-NZ 3.63Å; D150-K152 WeakPolarHBondContact OD2-CE 3.39Å; D150-K152 IonicContact OD2-NZ 2.6Å; D150-K152 PolarHBondContact OD2-NZ 2.8Å; K152-Q154 HydrophobicContact CG-CB 4.24Å; K152-Q154 PolarHBondContact O-N 3.29Å; K152-N155 HydrophobicContact CG-CB 4.22Å; K152-N155 PolarHBondContact O-N 3.45Å; K152-F156 WeakPolarHBondContact O-CD2 3.46Å; K152-T197 HydrophobicContact CD-CG2 4.42Å; K152-T197 WeakPolarHBondContact CD-OG1 3.32Å; K152-T197 PolarHBondContact NZ-OG1 2.93Å; K152-Y200 HydrophobicContact CB-CD2 3.48Å; K152-Y200 VanDerWaalsContact CB-CD2 3.48Å; K152-Y200 HydrophobicContact CB-CE2 3.86Å; K152-Y200 HydrophobicContact CB-CG 4.21Å
153P96.9Very high96.2Very high0 Ų029.7 Ų29.70%016%0.163CC..G310 helixtrans-54.6-27.9-179.1-25.431.4000115.3F104 N105 N155 F156 Y200 M223F104-P153 HydrophobicContact CB-CB 3.9Å; F104-P153 WeakPolarHBondContact CB-O 3.49Å; F104-P153 PolarHBondContact N-O 3.37Å; N105-P153 HydrophobicContact CB-CB 3.91Å; N105-P153 PolarHBondContact N-O 3.04Å; P153-N155 VanDerWaalsContact C-N 3.33Å; P153-F156 VanDerWaalsContact O-O 3.1Å; P153-Y200 VanDerWaalsContact CD-CE2 3.4Å; P153-Y200 WeakPolarHBondContact CD-OH 3.4Å; P153-Y200 HydrophobicContact CG-CE1 4.42Å; P153-Y200 HydrophobicContact CG-CE2 4.25Å; P153-Y200 WeakPolarHBondContact CG-OH 3.28Å; P153-M223 HydrophobicContact CB-SD 4.46Å; P153-M223 HydrophobicContact CG-CG 3.91Å; P153-M223 HydrophobicContact CG-SD 4.14Å
154Q95.7Very high96Very high37 Ų3728 Ų2817%0.17315%0.149CC..G310 helixtrans-70-31.3178.1-63.178.90.300112.4N105 K152 F156 H332 N337N105-Q154 HydrophobicContact CB-CB 4.47Å; N105-Q154 HydrophobicContact CB-CG 3.69Å; N105-Q154 PolarHBondContact ND2-NE2 2.6Å; N105-Q154 PolarHBondContact OD1-NE2 2.61Å; N105-Q154 VanDerWaalsContact OD1-NE2 3.11Å; K152-Q154 HydrophobicContact CG-CB 4.24Å; K152-Q154 PolarHBondContact O-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.32Å; Q154-H332 PolarHBondContact O-NE2 2.99Å; Q154-H332 VanDerWaalsContact O-NE2 3.14Å; Q154-N337 WeakPolarHBondContact CB-ND2 2.75Å; Q154-N337 WeakPolarHBondContact CG-ND2 3.45Å
155N96.6Very high96Very high2 Ų230.8 Ų30.81%0.01116%0.158CC..G310 helixtrans-88.815.2-177.1-69.9-3.8000112.4D150 K152 P153 L170D150-N155 PolarHBondContact O-ND2 3.37Å; D150-N155 PolarHBondContact OD2-ND2 2.93Å; K152-N155 HydrophobicContact CG-CB 4.22Å; K152-N155 PolarHBondContact O-N 3.45Å; P153-N155 VanDerWaalsContact C-N 3.33Å; N155-L170 PolarHBondContact O-N 3.35Å
156F98.1Very high96Very high0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-131134.6169-67.2-89.8000110S103 F104 L138 I151 K152 P153 Q154 V167 F168 C169 M223S103-F156 CarbonylContact C-O 3.56Å; S103-F156 WeakPolarHBondContact CA-O 3.27Å; S103-F156 WeakPolarHBondContact CB-O 3.49Å; F104-F156 HydrophobicContact CD1-CB 3.99Å; F104-F156 HydrophobicContact CD2-CB 3.62Å; F104-F156 HydrophobicContact CD2-CG 4.32Å; F104-F156 HydrophobicContact CE1-CB 3.74Å; F104-F156 HydrophobicContact CE2-CB 3.38Å; F104-F156 HydrophobicContact CE2-CD1 4.39Å; F104-F156 HydrophobicContact CE2-CD2 4.43Å; F104-F156 AromaticContact CE2-CG 3.84Å; F104-F156 HydrophobicContact CE2-CG 3.84Å; F104-F156 HydrophobicContact CG-CB 3.93Å; F104-F156 HydrophobicContact CZ-CB 3.44Å; F104-F156 VanDerWaalsContact CZ-CB 3.44Å; F104-F156 HydrophobicContact CZ-CD1 4.43Å; F104-F156 HydrophobicContact CZ-CG 4.14Å; F104-F156 PolarHBondContact N-O 3.12Å; L138-F156 HydrophobicContact CD2-CZ 4.5Å; I151-F156 HydrophobicContact CD1-CE2 4.16Å; I151-F156 HydrophobicContact CD1-CZ 4.1Å; I151-F156 HydrophobicContact CG2-CE2 4.04Å; K152-F156 WeakPolarHBondContact O-CD2 3.46Å; P153-F156 VanDerWaalsContact O-O 3.1Å; Q154-F156 PolarHBondContact O-N 3.32Å; F156-V167 HydrophobicContact CD1-CG1 4.1Å; F156-F168 VanDerWaalsContact CA-O 3.28Å; F156-F168 WeakPolarHBondContact CA-O 3.24Å; F156-C169 HydrophobicContact CD1-CB 4.07Å; F156-C169 HydrophobicContact CE1-CB 3.7Å; F156-C169 HydrophobicContact CZ-CB 4.4Å; F156-M223 HydrophobicContact CD2-CE 4.03Å; F156-M223 HydrophobicContact CD2-SD 4.06Å; F156-M223 HydrophobicContact CE2-CE 4.04Å; F156-M223 HydrophobicContact CE2-SD 4.36Å
157A97.9Very high96Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-131.2153.5176.900000111.6V100 P102 V167 F168 L170 H332V100-A157 HydrophobicContact CB-CB 3.98Å; V100-A157 HydrophobicContact CG2-CB 3.63Å; P102-A157 WeakPolarHBondContact O-CA 3.24Å; P102-A157 WeakPolarHBondContact O-CB 3.49Å; A157-V167 CarbonylContact O-C 3.59Å; A157-V167 WeakPolarHBondContact O-CA 3.49Å; A157-F168 PolarHBondContact N-O 3.04Å; A157-F168 PolarHBondContact O-N 3.14Å; A157-L170 HydrophobicContact CB-CD1 3.78Å; A157-H332 HydrophobicContact CB-CB 4.4Å
158T98Very high96.1Very high3 Ų334.8 Ų34.82%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-79.2164.3170.552.30000111G101 P102 F104 M107 L130 D166 W316G101-T158 WeakPolarHBondContact CA-O 3.4Å; G101-T158 PolarHBondContact N-O 2.85Å; P102-T158 WeakPolarHBondContact CD-OG1 3.42Å; P102-T158 PolarHBondContact O-N 2.81Å; P102-T158 PolarHBondContact O-OG1 2.95Å; F104-T158 HydrophobicContact CE1-CG2 4.47Å; M107-T158 HydrophobicContact CE-CG2 3.55Å; M107-T158 HydrophobicContact SD-CG2 4.11Å; L130-T158 HydrophobicContact CD2-CG2 4.43Å; T158-D166 CarbonylContact C-O 3.55Å; T158-D166 VanDerWaalsContact CA-O 3.22Å; T158-D166 WeakPolarHBondContact CA-O 3.32Å; T158-W316 HydrophobicContact CG2-CD2 4.45Å; T158-W316 HydrophobicContact CG2-CZ2 3.95Å
159G96.5Very high96.1Very high5 Ų534.9 Ų34.95%0.05218%0.179CC..PPolyproline II helixtrans-69.6171.9167.700000113D163 D166G159-D163 VanDerWaalsContact CA-O 3.32Å; G159-D163 WeakPolarHBondContact CA-O 3.31Å; G159-D166 PolarHBondContact N-O 3.32Å
160R94.1Very high96Very high64 Ų6433.5 Ų33.524%0.24217%0.174CC..PPolyproline II helixtrans-95.4157.8172.1-68.3-169.7172.1-154.44.7109.8E38 V100 D163E38-R160 IonicContact OE2-NH1 3.92Å; V100-R160 PolarHBondContact O-NE 2.92Å; V100-R160 PolarHBondContact O-NH2 2.81Å; R160-D163 CarbonylContact O-C 3.53Å; R160-D163 WeakPolarHBondContact O-CA 3.42Å; R160-D163 PolarHBondContact O-N 2.83Å
161P89Confident95.8Very high117 Ų11733.8 Ų33.876%0.7618%0.176SC*.THydrogen-bonded Turntrans-50.4134.5173.3-26.934.9000111.8
162P91.6Very high95.6Very high102 Ų10233.9 Ų33.966%0.66218%0.176SC*.THydrogen-bonded Turncis-85.4-6.65.535.3-35.6000115.1Y164P162-Y164 VanDerWaalsContact C-N 3.27Å; P162-Y164 VanDerWaalsContact O-CD1 3.32Å; P162-Y164 WeakPolarHBondContact O-CD1 3.22Å; P162-Y164 WeakPolarHBondContact O-CE1 3.33Å; P162-Y164 PolarHBondContact O-N 3.03Å; P162-Y164 VanDerWaalsContact O-N 3.14Å
163D94.6Very high95.2Very high92 Ų9234.1 Ų34.149%0.49218%0.18SC..  trans-88.637-170.4-51.2-52.1000113.1G159 R160 R165 D166G159-D163 VanDerWaalsContact CA-O 3.32Å; G159-D163 WeakPolarHBondContact CA-O 3.31Å; R160-D163 CarbonylContact O-C 3.53Å; R160-D163 WeakPolarHBondContact O-CA 3.42Å; R160-D163 PolarHBondContact O-N 2.83Å; D163-R165 PolarHBondContact O-N 3.37Å; D163-D166 WeakPolarHBondContact O-CB 3.25Å; D163-D166 PolarHBondContact O-N 3.41Å
164Y93.3Very high94.9Very high92 Ų9236 Ų3636%0.36119%0.189SC..THydrogen-bonded Turntrans-61.3-14.5-17651.7-107.8000114.2P162 W316 E317P162-Y164 VanDerWaalsContact C-N 3.27Å; P162-Y164 VanDerWaalsContact O-CD1 3.32Å; P162-Y164 WeakPolarHBondContact O-CD1 3.22Å; P162-Y164 WeakPolarHBondContact O-CE1 3.33Å; P162-Y164 PolarHBondContact O-N 3.03Å; P162-Y164 VanDerWaalsContact O-N 3.14Å; Y164-W316 PolarHBondContact O-NE1 3.08Å; Y164-E317 HydrophobicContact CD2-CG 3.41Å; Y164-E317 VanDerWaalsContact CD2-CG 3.41Å; Y164-E317 WeakPolarHBondContact CD2-OE1 3.44Å; Y164-E317 HydrophobicContact CE2-CB 4.41Å; Y164-E317 HydrophobicContact CE2-CG 3.32Å; Y164-E317 WeakPolarHBondContact CE2-OE1 3.44Å; Y164-E317 HydrophobicContact CG-CG 4.29Å
165R97.1Very high94.8Very high61 Ų6134.4 Ų34.423%0.2318%0.182CC..THydrogen-bonded Turntrans-85.9-15176.3-68.9-173.3172.5-158.2-5.8113.6H129 D163 E310 W311 F312 L314 E317H129-R165 PolarHBondContact CE1-O 2.67Å; H129-R165 PolarHBondContact NE2-O 3.04Å; D163-R165 PolarHBondContact O-N 3.37Å; R165-E310 PolarHBondContact NH1-O 3.49Å; R165-W311 PolarHBondContact NH2-O 3.15Å; R165-F312 PolarHBondContact NH2-O 3.42Å; R165-L314 HydrophobicContact CG-CD1 4.03Å; R165-E317 WeakPolarHBondContact CD-OE1 3.47Å; R165-E317 WeakPolarHBondContact CG-OE1 3.25Å; R165-E317 IonicContact CZ-OE1 3Å; R165-E317 IonicContact CZ-OE2 2.7Å; R165-E317 IonicContact NE-OE1 2.85Å; R165-E317 PolarHBondContact NE-OE1 3.3Å; R165-E317 IonicContact NE-OE2 3.32Å; R165-E317 PolarHBondContact NE-OE2 3.16Å; R165-E317 IonicContact NH2-OE1 3.83Å; R165-E317 IonicContact NH2-OE2 2.81Å; R165-E317 PolarHBondContact NH2-OE2 2.85Å
166D98Very high94.7Very high77 Ų7737 Ų3741%0.41219%0.192SC..  trans-68.1150.2176-72.3-6.7000109.9T158 G159 D163 F168T158-D166 CarbonylContact C-O 3.55Å; T158-D166 VanDerWaalsContact CA-O 3.22Å; T158-D166 WeakPolarHBondContact CA-O 3.32Å; G159-D166 PolarHBondContact N-O 3.32Å; D163-D166 WeakPolarHBondContact O-CB 3.25Å; D163-D166 PolarHBondContact O-N 3.41Å; D166-F168 HydrophobicContact CB-CE2 3.76Å; D166-F168 HydrophobicContact CB-CZ 4Å
167V98.4Very high94.6Very high1 Ų141 Ų411%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-128.4136.5176.7169.20000108H79 F104 L130 K133 F156 A157H79-V167 WeakPolarHBondContact CA-O 3.33Å; H79-V167 WeakPolarHBondContact CB-O 3.28Å; H79-V167 PolarHBondContact ND1-O 2.96Å; F104-V167 HydrophobicContact CE1-CG1 4.07Å; F104-V167 HydrophobicContact CE1-CG2 4.22Å; F104-V167 HydrophobicContact CZ-CG1 3.6Å; F104-V167 HydrophobicContact CZ-CG2 4.13Å; L130-V167 HydrophobicContact CD2-CG2 3.99Å; K133-V167 HydrophobicContact CB-CB 3.7Å; K133-V167 HydrophobicContact CB-CG1 4.17Å; K133-V167 HydrophobicContact CB-CG2 3.71Å; K133-V167 HydrophobicContact CG-CB 4.46Å; K133-V167 HydrophobicContact CG-CG2 4.13Å; F156-V167 HydrophobicContact CD1-CG1 4.1Å; A157-V167 CarbonylContact O-C 3.59Å; A157-V167 WeakPolarHBondContact O-CA 3.49Å
168F98.5Very high94.6Very high23 Ų2341.8 Ų41.810%0.10121%0.212CC..EExtended strand (participates in β ladder)trans-119.9128.1179.6-61.5-85.4000109.2T98 V100 F156 A157 D166 L170T98-F168 HydrophobicContact CG2-CE1 3.98Å; T98-F168 HydrophobicContact CG2-CZ 4.02Å; V100-F168 HydrophobicContact CB-CD2 4.31Å; V100-F168 HydrophobicContact CG1-CB 3.92Å; V100-F168 HydrophobicContact CG1-CD1 4.41Å; V100-F168 HydrophobicContact CG1-CD2 3.72Å; V100-F168 HydrophobicContact CG1-CE2 4.4Å; V100-F168 HydrophobicContact CG1-CG 3.73Å; F156-F168 VanDerWaalsContact CA-O 3.28Å; F156-F168 WeakPolarHBondContact CA-O 3.24Å; A157-F168 PolarHBondContact N-O 3.04Å; A157-F168 PolarHBondContact O-N 3.14Å; D166-F168 HydrophobicContact CB-CE2 3.76Å; D166-F168 HydrophobicContact CB-CZ 4Å; F168-L170 HydrophobicContact CB-CD2 3.95Å
169C98Very high94.5Very high1 Ų142.9 Ų42.91%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-83.5134.3164.6-177.80000109.6H79 S137 H148 F156 F172H79-C169 PolarHBondContact O-N 2.94Å; S137-C169 WeakPolarHBondContact OG-CB 3.27Å; H148-C169 PolarHBondContact CD2-SG 3.23Å; F156-C169 HydrophobicContact CD1-CB 4.07Å; F156-C169 HydrophobicContact CE1-CB 3.7Å; F156-C169 HydrophobicContact CZ-CB 4.4Å; C169-F172 HydrophobicContact CB-CZ 4.47Å; C169-F172 WeakPolarHBondContact O-CZ 3.4Å
170L95Very high94.5Very high7 Ų746.6 Ų46.64%0.03723%0.234CC..  trans-124.1163.2-168.8-51.5180000111V100 H148 N155 A157 F168 H332 M334V100-L170 HydrophobicContact CG1-CD2 4.31Å; V100-L170 HydrophobicContact CG2-CD1 4.33Å; H148-L170 PolarHBondContact NE2-O 2.82Å; N155-L170 PolarHBondContact O-N 3.35Å; A157-L170 HydrophobicContact CB-CD1 3.78Å; F168-L170 HydrophobicContact CB-CD2 3.95Å; L170-H332 WeakPolarHBondContact CD1-ND1 3.48Å; L170-M334 HydrophobicContact CD1-SD 3.6Å; L170-M334 HydrophobicContact CD2-CE 3.71Å; L170-M334 HydrophobicContact CD2-SD 3.82Å; L170-M334 HydrophobicContact CG-SD 4.3Å
171D90.6Very high94.4Very high18 Ų1853 Ų5310%0.09627%0.266CS..  trans5976.1173.9-165.61.4000115H148 G173H148-D171 PolarHBondContact CE1-O 3.49Å; H148-D171 PolarHBondContact NE2-O 3.33Å; D171-G173 PolarHBondContact O-N 2.8Å; D171-G173 PolarHBondContact OD1-N 2.8Å; D171-G173 VanDerWaalsContact OD1-N 3.1Å
172F93.1Very high94.6Very high5 Ų552 Ų522%0.02225%0.254CS..G310 helixtrans-82.89.9172.8-53.7-75.1000113.2E65 V68 L69 L72 V80 L141 C169 M174 C175E65-F172 HydrophobicContact CB-CB 4.5Å; E65-F172 HydrophobicContact CG-CB 4.21Å; E65-F172 HydrophobicContact CG-CD2 4.31Å; V68-F172 HydrophobicContact CB-CB 4Å; V68-F172 HydrophobicContact CB-CG 4.23Å; V68-F172 HydrophobicContact CG1-CB 3.98Å; V68-F172 HydrophobicContact CG1-CD1 3.65Å; V68-F172 HydrophobicContact CG1-CD2 4.49Å; V68-F172 HydrophobicContact CG1-CE1 4.28Å; V68-F172 HydrophobicContact CG1-CG 3.77Å; V68-F172 HydrophobicContact CG2-CB 4.41Å; L69-F172 HydrophobicContact CD2-CD2 3.82Å; L69-F172 HydrophobicContact CD2-CE2 3.42Å; L69-F172 VanDerWaalsContact CD2-CE2 3.42Å; L69-F172 HydrophobicContact CD2-CZ 4.42Å; L69-F172 HydrophobicContact CG-CD2 3.84Å; L69-F172 HydrophobicContact CG-CE2 4Å; L72-F172 HydrophobicContact CD1-CE1 3.87Å; L72-F172 HydrophobicContact CD1-CZ 3.89Å; V80-F172 HydrophobicContact CG2-CE2 4.32Å; V80-F172 HydrophobicContact CG2-CZ 4.2Å; L141-F172 HydrophobicContact CD1-CD1 4.27Å; L141-F172 HydrophobicContact CD1-CE1 4.17Å; C169-F172 HydrophobicContact CB-CZ 4.47Å; C169-F172 WeakPolarHBondContact O-CZ 3.4Å; F172-M174 PolarHBondContact O-N 3.21Å; F172-M174 VanDerWaalsContact O-N 3.14Å; F172-C175 HydrophobicContact CB-CB 4.45Å; F172-C175 VanDerWaalsContact O-CB 3.29Å; F172-C175 WeakPolarHBondContact O-CB 3.49Å; F172-C175 PolarHBondContact O-N 3.47Å
173G88.5Confident94.6Very high9 Ų949.7 Ų49.79%0.09325%0.25CC..G310 helixtrans-62.6-22.3-178.200000113.4D171D171-G173 PolarHBondContact O-N 2.8Å; D171-G173 PolarHBondContact OD1-N 2.8Å; D171-G173 VanDerWaalsContact OD1-N 3.1Å
174M89.9Confident94.6Very high40 Ų4051.8 Ų51.820%0.19725%0.254CS..G310 helixtrans-98.80.8178.1-60.9-59.4-78.600113.5H148 R149 D150 F172 R195H148-M174 CarbonylContact O-C 3.51Å; R149-M174 PolarHBondContact NE-O 3.3Å; R149-M174 PolarHBondContact NH2-O 3.36Å; D150-M174 HydrophobicContact CB-CB 4.2Å; D150-M174 HydrophobicContact CB-CG 4.34Å; F172-M174 PolarHBondContact O-N 3.21Å; F172-M174 VanDerWaalsContact O-N 3.14Å; M174-R195 HydrophobicContact CE-CB 3.49Å; M174-R195 VanDerWaalsContact CE-CB 3.49Å; M174-R195 HydrophobicContact CE-CG 4.13Å
175C94.8Very high94.7Very high4 Ų449.9 Ų49.93%0.02725%0.25CC..  trans-59.6159-176.5-83.70000113.6L64 V68 Y146 L147 R149 F172L64-C175 HydrophobicContact CD2-CB 4.4Å; L64-C175 WeakPolarHBondContact CD2-O 3.27Å; V68-C175 HydrophobicContact CG2-CB 3.94Å; Y146-C175 HydrophobicContact CD1-CB 4.5Å; L147-C175 CarbonylContact O-C 3.37Å; L147-C175 WeakPolarHBondContact O-CA 2.98Å; L147-C175 PolarHBondContact O-SG 3.35Å; R149-C175 PolarHBondContact NH2-O 3.29Å; F172-C175 HydrophobicContact CB-CB 4.45Å; F172-C175 VanDerWaalsContact O-CB 3.29Å; F172-C175 WeakPolarHBondContact O-CB 3.49Å; F172-C175 PolarHBondContact O-N 3.47Å
176R94.3Very high94.7Very high57 Ų5752.1 Ų52.122%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-144.6128171.8178.7-177.3173.3104-11.5110.3Y146 L147 Y178 R189 E210Y146-R176 WeakPolarHBondContact CA-O 3.49Å; L147-R176 PolarHBondContact N-O 2.81Å; L147-R176 PolarHBondContact O-N 3.33Å; R176-Y178 PolarHBondContact O-N 3.16Å; R176-R189 VanDerWaalsContact CZ-CZ 3.41Å; R176-R189 VanDerWaalsContact NH2-CZ 3.31Å; R176-E210 IonicContact CZ-OE1 2.69Å; R176-E210 IonicContact CZ-OE2 3.83Å; R176-E210 IonicContact NE-OE1 2.81Å; R176-E210 IonicContact NE-OE2 2.98Å; R176-E210 IonicContact NH2-OE1 3.54Å; R176-E210 IonicContact NH2-OE2 3.8Å; R176-E210 PolarHBondContact NH2-OE2 2.99Å
177K96Very high94.6Very high83 Ų8358.5 Ų58.536%0.36128%0.277SS..EExtended strand (participates in β ladder)trans-69.9112.6170.9-154.3174.4-172.81640109.4G145 Y146 R186G145-K177 CarbonylContact O-C 3.54Å; G145-K177 VanDerWaalsContact O-CA 3.32Å; G145-K177 WeakPolarHBondContact O-CA 3.48Å; G145-K177 WeakPolarHBondContact O-CG 3.42Å; Y146-K177 HydrophobicContact CD1-CB 3.95Å; Y146-K177 HydrophobicContact CD1-CG 4.24Å; Y146-K177 HydrophobicContact CE1-CB 3.68Å; Y146-K177 HydrophobicContact CE1-CD 4.2Å; Y146-K177 HydrophobicContact CE1-CG 3.89Å; Y146-K177 HydrophobicContact CE2-CD 4.43Å; Y146-K177 HydrophobicContact CE2-CG 4.33Å; K177-R186 VanDerWaalsContact O-CD 3.3Å; K177-R186 WeakPolarHBondContact O-CD 3.42Å; K177-R186 PolarHBondContact O-NE 3.2Å
178Y96.9Very high94.4Very high17 Ų1760.9 Ų60.97%0.06729%0.292CS..  trans-95.2-14.8-178.573.9-83.6000112.6H142 G145 L147 R176 L185 R186 R213H142-Y178 PolarHBondContact O-OH 3.32Å; G145-Y178 VanDerWaalsContact CA-CE1 3.5Å; G145-Y178 WeakPolarHBondContact O-CD1 3.36Å; G145-Y178 WeakPolarHBondContact O-CE1 3.19Å; G145-Y178 PolarHBondContact O-N 3.32Å; L147-Y178 HydrophobicContact CD1-CG 4.49Å; L147-Y178 HydrophobicContact CD2-CD1 3.65Å; L147-Y178 HydrophobicContact CD2-CE1 4.07Å; L147-Y178 HydrophobicContact CD2-CG 4.04Å; L147-Y178 HydrophobicContact CG-CD1 3.7Å; L147-Y178 HydrophobicContact CG-CG 4Å; R176-Y178 PolarHBondContact O-N 3.16Å; Y178-L185 HydrophobicContact CD2-CD2 3.67Å; Y178-L185 HydrophobicContact CE2-CD2 3.55Å; Y178-R186 WeakPolarHBondContact O-CB 3.16Å; Y178-R186 WeakPolarHBondContact O-CG 3.15Å; Y178-R186 PolarHBondContact O-N 2.82Å; Y178-R213 HydrophobicContact CE1-CG 4.3Å; Y178-R213 HydrophobicContact CE2-CG 4.07Å; Y178-R213 WeakPolarHBondContact OH-CD 3.5Å
179V96.7Very high94.2Very high26 Ų2664.8 Ų64.816%0.15831%0.306CS..BIsolated β-bridgetrans-99.5142.5174.9-167.40000110G183 L185V179-G183 VanDerWaalsContact CG1-C 3.46Å; V179-G183 WeakPolarHBondContact CG1-O 3.27Å; V179-L185 HydrophobicContact CG2-CD2 4.23Å
180K95.4Very high93.8Very high83 Ų8374.1 Ų74.136%0.36135%0.35SS..  trans-83.8173.4172.5-67-179.8-174.6-179.60110.9D182 G183 K184 R186K180-D182 WeakPolarHBondContact CB-OD1 3.36Å; K180-D182 PolarHBondContact O-N 3.47Å; K180-G183 PolarHBondContact O-N 2.95Å; K180-G183 VanDerWaalsContact O-N 3.14Å; K180-K184 WeakPolarHBondContact CB-O 3.28Å; K180-K184 PolarHBondContact N-O 3.12Å; K180-R186 HydrophobicContact CG-CG 3.76Å
181E92Very high93.4Very high198 Ų19882.6 Ų82.693%0.92539%0.386SS*.THydrogen-bonded Turntrans-63.3-28.8176.1-66.2177.1177.600112.8G183E181-G183 PolarHBondContact O-N 2.98Å
182D93.8Very high93.2Very high95 Ų9582.8 Ų82.851%0.50839%0.388SS..THydrogen-bonded Turntrans-819.2176.371-11.7000113.7K180 K184K180-D182 WeakPolarHBondContact CB-OD1 3.36Å; K180-D182 PolarHBondContact O-N 3.47Å; D182-K184 PolarHBondContact O-N 3.2Å; D182-K184 WeakPolarHBondContact OD1-CB 3.35Å; D182-K184 PolarHBondContact OD1-N 3.3Å; D182-K184 VanDerWaalsContact OD1-N 3.08Å; D182-K184 WeakPolarHBondContact OD2-CD 3.49Å; D182-K184 IonicContact OD2-NZ 3.99Å
183G91.7Very high92.7Very high55 Ų5585.5 Ų85.557%0.56742%0.417SS*.SBendtrans76-4.4-178.500000114.7V179 K180 E181V179-G183 VanDerWaalsContact CG1-C 3.46Å; V179-G183 WeakPolarHBondContact CG1-O 3.27Å; K180-G183 PolarHBondContact O-N 2.95Å; K180-G183 VanDerWaalsContact O-N 3.14Å; E181-G183 PolarHBondContact O-N 2.98Å
184K94.6Very high92.5Very high136 Ų13686.8 Ų86.859%0.59142%0.421SS*.PPolyproline II helixtrans-81149179.1-62.2-178.7-172.4165.30111.5K180 D182K180-K184 WeakPolarHBondContact CB-O 3.28Å; K180-K184 PolarHBondContact N-O 3.12Å; D182-K184 PolarHBondContact O-N 3.2Å; D182-K184 WeakPolarHBondContact OD1-CB 3.35Å; D182-K184 PolarHBondContact OD1-N 3.3Å; D182-K184 VanDerWaalsContact OD1-N 3.08Å; D182-K184 WeakPolarHBondContact OD2-CD 3.49Å; D182-K184 IonicContact OD2-NZ 3.99Å
185L96Very high92Very high51 Ų5192 Ų9227%0.26744%0.438SS..BIsolated β-bridgetrans-63141.6171.6-55.7-176.9000110.6Y178 V179 Y287Y178-L185 HydrophobicContact CD2-CD2 3.67Å; Y178-L185 HydrophobicContact CE2-CD2 3.55Å; V179-L185 HydrophobicContact CG2-CD2 4.23Å; L185-Y287 HydrophobicContact CD1-CD1 4.02Å
186R96.4Very high91.4Very high108 Ų10892.4 Ų92.441%0.40844%0.443SS..PPolyproline II helixtrans-65.5148.7168-70.6179.3177.9-88.6-3.2109.2K177 Y178 K180 Y286K177-R186 VanDerWaalsContact O-CD 3.3Å; K177-R186 WeakPolarHBondContact O-CD 3.42Å; K177-R186 PolarHBondContact O-NE 3.2Å; Y178-R186 WeakPolarHBondContact O-CB 3.16Å; Y178-R186 WeakPolarHBondContact O-CG 3.15Å; Y178-R186 PolarHBondContact O-N 2.82Å; K180-R186 HydrophobicContact CG-CG 3.76Å; R186-Y286 WeakPolarHBondContact O-CE1 3.49Å; R186-Y286 PolarHBondContact O-OH 3.12Å; R186-Y286 VanDerWaalsContact O-OH 3.09Å
187R95.1Very high91.2Very high212 Ų21290.5 Ų90.580%0.844%0.438SS*.PPolyproline II helixtrans-71.5140.1173.1-70.2-176.3179.5175-0.8109.1
188P95.4Very high91.1Very high51 Ų5187 Ų8733%0.33142%0.423SS..PPolyproline II helixtrans-65.1138.9176.227.8-33.3000110.1E210 Y286 Y287P188-E210 HydrophobicContact CB-CB 3.67Å; P188-E210 HydrophobicContact CB-CG 4.16Å; P188-Y286 HydrophobicContact CB-CD1 4.23Å; P188-Y286 HydrophobicContact CB-CD2 4.14Å; P188-Y286 HydrophobicContact CB-CE1 4.07Å; P188-Y286 HydrophobicContact CB-CE2 4.02Å; P188-Y286 HydrophobicContact CB-CG 4.26Å; P188-Y286 HydrophobicContact CG-CD1 4.13Å; P188-Y286 HydrophobicContact CG-CE1 4.16Å; P188-Y286 HydrophobicContact CG-CG 4.48Å; P188-Y287 VanDerWaalsContact CD-OH 3.24Å; P188-Y287 WeakPolarHBondContact CD-OH 3.43Å
189R93.7Very high91Very high104 Ų10487.5 Ų87.539%0.39243%0.425SS..PPolyproline II helixtrans-74.9145.5169.5-68.1171.8-67.5167.57.4109.4R176 K191 V192 E210R176-R189 VanDerWaalsContact CZ-CZ 3.41Å; R176-R189 VanDerWaalsContact NH2-CZ 3.31Å; R189-K191 VanDerWaalsContact C-N 3.32Å; R189-K191 PolarHBondContact O-N 3.29Å; R189-V192 HydrophobicContact CB-CG2 4.02Å; R189-V192 VanDerWaalsContact NH2-CG1 3.25Å; R189-E210 WeakPolarHBondContact CG-OE2 3.39Å; R189-E210 IonicContact CZ-OE1 2.53Å; R189-E210 IonicContact CZ-OE2 3.16Å; R189-E210 PolarHBondContact N-OE2 2.94Å; R189-E210 IonicContact NE-OE1 3.32Å; R189-E210 IonicContact NE-OE2 3.66Å; R189-E210 PolarHBondContact NE-OE2 2.98Å; R189-E210 IonicContact NH2-OE1 3.42Å; R189-E210 PolarHBondContact NH2-OE1 3.34Å; R189-E210 IonicContact NH2-OE2 2.72Å; R189-E210 PolarHBondContact NH2-OE2 3.46Å
190E89.5Confident90.9Very high197 Ų19787.1 Ų87.192%0.92142%0.421SS*.SBendtrans-60.4-39.9-179-68.4-176.3173.800113.3
191K86.4Confident91Very high186 Ų18683.5 Ų83.581%0.80941%0.407SS*.  trans-139.5138.4174.2-75.3-171.7176.5178.40110.9R189R189-K191 VanDerWaalsContact C-N 3.32Å; R189-K191 PolarHBondContact O-N 3.29Å
192V87.4Confident91.2Very high21 Ų2174.1 Ų74.113%0.12736%0.363CS..  trans-124127177.4-176.20000109R189 F194 G208 E210R189-V192 HydrophobicContact CB-CG2 4.02Å; R189-V192 VanDerWaalsContact NH2-CG1 3.25Å; V192-F194 PolarHBondContact O-N 3.35Å; V192-G208 PolarHBondContact N-O 3Å; V192-E210 HydrophobicContact CG2-CB 4.2Å
193G82.6Confident91.4Very high62 Ų6270.4 Ų70.464%0.63934%0.344SS*.  trans-63.5130.6170.200000110.1
194F83Confident91.6Very high37 Ų3769.4 Ų69.416%0.16233%0.325CS..  trans-59.3138.1179180-97.4000111.4V192 G196 L198 A201 V205 L206 V245V192-F194 PolarHBondContact O-N 3.35Å; F194-G196 WeakPolarHBondContact CE1-O 3.21Å; F194-G196 VanDerWaalsContact CZ-O 3.31Å; F194-G196 WeakPolarHBondContact CZ-O 3.35Å; F194-L198 HydrophobicContact CD1-CD2 3.69Å; F194-L198 HydrophobicContact CD1-CG 4.3Å; F194-L198 HydrophobicContact CD2-CD2 4.34Å; F194-L198 HydrophobicContact CE1-CD2 3.34Å; F194-L198 HydrophobicContact CE1-CG 3.6Å; F194-L198 HydrophobicContact CE2-CD2 4.07Å; F194-L198 HydrophobicContact CG-CD2 4.18Å; F194-L198 HydrophobicContact CZ-CB 4.43Å; F194-L198 HydrophobicContact CZ-CD2 3.58Å; F194-L198 HydrophobicContact CZ-CG 3.96Å; F194-A201 HydrophobicContact CE2-CB 3.62Å; F194-A201 HydrophobicContact CZ-CB 4.05Å; F194-V205 HydrophobicContact CD2-CG1 3.65Å; F194-V205 HydrophobicContact CE2-CG1 3.63Å; F194-L206 HydrophobicContact CD2-CD2 4.45Å; F194-L206 HydrophobicContact CE2-CD2 4.17Å; F194-V245 HydrophobicContact CB-CG1 4.31Å; F194-V245 HydrophobicContact CD1-CG1 3.75Å; F194-V245 HydrophobicContact CG-CG1 4.46Å
195R80.4Confident91.6Very high148 Ų14863.3 Ų63.356%0.55830%0.3SS*.  trans-149.9135.2-178.9-83.7-160.6-171.5-1521.3107.4M174M174-R195 HydrophobicContact CE-CB 3.49Å; M174-R195 VanDerWaalsContact CE-CB 3.49Å; M174-R195 HydrophobicContact CE-CG 4.13Å
196G82.9Confident91.6Very high13 Ų1361.2 Ų61.213%0.13429%0.289CS..SBendtrans108.9-167.8-175.700000112.7D150 F194 N340D150-G196 VanDerWaalsContact OD1-CA 3.25Å; D150-G196 WeakPolarHBondContact OD1-CA 3.44Å; F194-G196 WeakPolarHBondContact CE1-O 3.21Å; F194-G196 VanDerWaalsContact CZ-O 3.31Å; F194-G196 WeakPolarHBondContact CZ-O 3.35Å; G196-N340 PolarHBondContact O-OD1 3.26Å
197T89.4Confident91.4Very high18 Ų1862 Ų6211%0.1130%0.295CS..  trans-90.6116.9-177.5-65.10000112.4D150 K152 Y199 Y200 A201D150-T197 PolarHBondContact OD1-N 3.09Å; D150-T197 PolarHBondContact OD1-OG1 3.2Å; K152-T197 HydrophobicContact CD-CG2 4.42Å; K152-T197 WeakPolarHBondContact CD-OG1 3.32Å; K152-T197 PolarHBondContact NZ-OG1 2.93Å; T197-Y199 PolarHBondContact O-N 3.21Å; T197-Y199 VanDerWaalsContact O-N 3.16Å; T197-Y200 HydrophobicContact CG2-CD2 4.21Å; T197-Y200 PolarHBondContact O-N 3.36Å; T197-A201 PolarHBondContact O-N 3.41Å; T197-A201 VanDerWaalsContact O-N 3.15Å
198L93.2Very high91.4Very high10 Ų1052.8 Ų52.85%0.05227%0.266CS..THydrogen-bonded Turntrans-54-37.6-179.1-70.7171000113.1F194 Y200 A201 L206 Q248 A249 F252 K256F194-L198 HydrophobicContact CD1-CD2 3.69Å; F194-L198 HydrophobicContact CD1-CG 4.3Å; F194-L198 HydrophobicContact CD2-CD2 4.34Å; F194-L198 HydrophobicContact CE1-CD2 3.34Å; F194-L198 HydrophobicContact CE1-CG 3.6Å; F194-L198 HydrophobicContact CE2-CD2 4.07Å; F194-L198 HydrophobicContact CG-CD2 4.18Å; F194-L198 HydrophobicContact CZ-CB 4.43Å; F194-L198 HydrophobicContact CZ-CD2 3.58Å; F194-L198 HydrophobicContact CZ-CG 3.96Å; L198-Y200 VanDerWaalsContact C-N 3.31Å; L198-Y200 PolarHBondContact O-N 3.09Å; L198-A201 PolarHBondContact O-N 2.89Å; L198-L206 HydrophobicContact CD2-CD2 3.5Å; L198-Q248 HydrophobicContact CD1-CB 3.73Å; L198-A249 HydrophobicContact CD2-CB 3.8Å; L198-F252 HydrophobicContact CB-CD2 3.88Å; L198-F252 HydrophobicContact CB-CE2 3.99Å; L198-F252 HydrophobicContact CB-CG 4.45Å; L198-F252 HydrophobicContact CD1-CD2 4.17Å; L198-F252 HydrophobicContact CD1-CE2 4.23Å; L198-F252 HydrophobicContact CG-CD2 4.49Å; L198-K256 PolarHBondContact O-NZ 3.48Å
199Y94.6Very high91.3Very high27 Ų2754.8 Ų54.811%0.10627%0.27CS..THydrogen-bonded Turntrans-60-37.9-174-167.9-89.3000113T197 V232 W234 R235 F252 K256T197-Y199 PolarHBondContact O-N 3.21Å; T197-Y199 VanDerWaalsContact O-N 3.16Å; Y199-V232 HydrophobicContact CE1-CG2 3.79Å; Y199-V232 WeakPolarHBondContact OH-CG2 3.4Å; Y199-W234 PolarHBondContact O-NE1 3.26Å; Y199-R235 WeakPolarHBondContact OH-CA 3.37Å; Y199-F252 HydrophobicContact CD2-CE1 4.45Å; Y199-K256 VanDerWaalsContact C-NZ 3.29Å; Y199-K256 WeakPolarHBondContact O-CE 3.3Å; Y199-K256 PolarHBondContact O-NZ 3.49Å
200Y96.5Very high91.4Very high17 Ų1750.2 Ų50.27%0.06725%0.254CS..THydrogen-bonded Turntrans-103.6-12.8-179.8-63-74.9000113.9I151 K152 P153 T197 L198 S219 F222 M223I151-Y200 WeakPolarHBondContact O-CB 3.34Å; K152-Y200 HydrophobicContact CB-CD2 3.48Å; K152-Y200 VanDerWaalsContact CB-CD2 3.48Å; K152-Y200 HydrophobicContact CB-CE2 3.86Å; K152-Y200 HydrophobicContact CB-CG 4.21Å; P153-Y200 VanDerWaalsContact CD-CE2 3.4Å; P153-Y200 WeakPolarHBondContact CD-OH 3.4Å; P153-Y200 HydrophobicContact CG-CE1 4.42Å; P153-Y200 HydrophobicContact CG-CE2 4.25Å; P153-Y200 WeakPolarHBondContact CG-OH 3.28Å; T197-Y200 HydrophobicContact CG2-CD2 4.21Å; T197-Y200 PolarHBondContact O-N 3.36Å; L198-Y200 VanDerWaalsContact C-N 3.31Å; L198-Y200 PolarHBondContact O-N 3.09Å; Y200-S219 WeakPolarHBondContact O-CA 3.26Å; Y200-S219 WeakPolarHBondContact O-CB 3.38Å; Y200-S219 PolarHBondContact O-OG 3.29Å; Y200-F222 HydrophobicContact CD1-CB 4.12Å; Y200-F222 WeakPolarHBondContact O-CD2 3.43Å; Y200-M223 HydrophobicContact CD1-CB 4.48Å; Y200-M223 HydrophobicContact CE1-CB 4.4Å
201A96.5Very high91.7Very high8 Ų841.4 Ų41.47%0.06621%0.213CC..  trans-57.5143.2-179.700000114.4F194 T197 L198 V205 L206 K256F194-A201 HydrophobicContact CE2-CB 3.62Å; F194-A201 HydrophobicContact CZ-CB 4.05Å; T197-A201 PolarHBondContact O-N 3.41Å; T197-A201 VanDerWaalsContact O-N 3.15Å; L198-A201 PolarHBondContact O-N 2.89Å; A201-V205 HydrophobicContact CB-CB 4.42Å; A201-V205 HydrophobicContact CB-CG1 4.15Å; A201-L206 HydrophobicContact CB-CD1 4.47Å; A201-L206 HydrophobicContact CB-CD2 4.04Å; A201-L206 HydrophobicContact CB-CG 4.04Å; A201-K256 WeakPolarHBondContact O-CD 3.35Å; A201-K256 PolarHBondContact O-NZ 3.22Å
202S97.2Very high92.3Very high1 Ų132.7 Ų32.71%0.00718%0.175CC..  trans-65.9163.3175.986.60000112.1D204 V205 L206 D215S202-D204 VanDerWaalsContact C-N 3.29Å; S202-D204 PolarHBondContact O-N 3.46Å; S202-D204 PolarHBondContact OG-N 3.42Å; S202-V205 PolarHBondContact O-N 3.15Å; S202-V205 WeakPolarHBondContact OG-CG2 3.28Å; S202-V205 PolarHBondContact OG-N 2.7Å; S202-L206 WeakPolarHBondContact O-CD1 3.48Å; S202-L206 VanDerWaalsContact O-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.32Å; S202-L206 PolarHBondContact O-N 3.06Å; S202-L206 VanDerWaalsContact O-N 3.13Å; S202-D215 WeakPolarHBondContact CB-OD1 3.39Å; S202-D215 PolarHBondContact OG-OD1 3.46Å
203V96.8Very high92.8Very high17 Ų1732.7 Ų32.710%0.10317%0.173CC..Hα-helixtrans-58.4-41.3177.5170.80000111.7L206 K207 K256 S257 L260V203-L206 WeakPolarHBondContact O-CB 3.24Å; V203-L206 PolarHBondContact O-N 3.5Å; V203-K207 HydrophobicContact CG1-CD 4.18Å; V203-K207 VanDerWaalsContact CG1-CE 3.42Å; V203-K207 WeakPolarHBondContact O-CG 3.22Å; V203-K207 PolarHBondContact O-N 3.48Å; V203-K256 HydrophobicContact CG2-CB 3.63Å; V203-S257 VanDerWaalsContact CG1-OG 3.27Å; V203-S257 WeakPolarHBondContact CG1-OG 3.27Å; V203-L260 HydrophobicContact CG2-CD1 3.97Å
204D95.8Very high93.5Very high34 Ų3430.2 Ų30.218%0.18215%0.145CC..Hα-helixtrans-70.6-37.5-175.2-59.3-27.9000111.2S202 L206 K207 G208 E209 K214S202-D204 VanDerWaalsContact C-N 3.29Å; S202-D204 PolarHBondContact O-N 3.46Å; S202-D204 PolarHBondContact OG-N 3.42Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.48Å; D204-K207 WeakPolarHBondContact O-CB 3.46Å; D204-K207 PolarHBondContact O-N 3.22Å; D204-K207 VanDerWaalsContact O-N 3.13Å; D204-K207 IonicContact OD1-NZ 2.7Å; D204-G208 PolarHBondContact O-N 3.3Å; D204-E209 HydrophobicContact CB-CB 4.17Å; D204-E209 HydrophobicContact CB-CG 4.4Å; D204-E209 WeakPolarHBondContact CB-OE2 3.31Å; D204-E209 WeakPolarHBondContact O-CB 3.32Å; D204-E209 PolarHBondContact O-N 3.12Å; D204-K214 IonicContact OD2-NZ 3.17Å; D204-K214 PolarHBondContact OD2-NZ 3.23Å
205V95.6Very high94.2Very high8 Ų828.5 Ų28.55%0.04814%0.137CC..Hα-helixtrans-60.4-41.6171.5177.20000111.8F194 A201 S202 K207 G208 Q211 D215F194-V205 HydrophobicContact CD2-CG1 3.65Å; F194-V205 HydrophobicContact CE2-CG1 3.63Å; A201-V205 HydrophobicContact CB-CB 4.42Å; A201-V205 HydrophobicContact CB-CG1 4.15Å; S202-V205 PolarHBondContact O-N 3.15Å; S202-V205 WeakPolarHBondContact OG-CG2 3.28Å; S202-V205 PolarHBondContact OG-N 2.7Å; V205-K207 VanDerWaalsContact C-N 3.26Å; V205-K207 PolarHBondContact O-N 3.06Å; V205-G208 PolarHBondContact O-N 3.34Å; V205-Q211 HydrophobicContact CB-CG 4.3Å; V205-Q211 HydrophobicContact CG1-CG 4.22Å; V205-Q211 VanDerWaalsContact CG1-NE2 3.32Å; V205-Q211 HydrophobicContact CG2-CB 4.49Å; V205-Q211 HydrophobicContact CG2-CG 3.19Å; V205-D215 HydrophobicContact CG2-CB 3.86Å
206L95Very high95.1Very high7 Ų721.5 Ų21.54%0.03711%0.111CC..Hα-helixtrans-70.8-22.6178.9-67.4167.7000112.8F194 L198 A201 S202 V203 D204 G208 A249 F252 K256F194-L206 HydrophobicContact CD2-CD2 4.45Å; F194-L206 HydrophobicContact CE2-CD2 4.17Å; L198-L206 HydrophobicContact CD2-CD2 3.5Å; A201-L206 HydrophobicContact CB-CD1 4.47Å; A201-L206 HydrophobicContact CB-CD2 4.04Å; A201-L206 HydrophobicContact CB-CG 4.04Å; S202-L206 WeakPolarHBondContact O-CD1 3.48Å; S202-L206 VanDerWaalsContact O-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.32Å; S202-L206 PolarHBondContact O-N 3.06Å; S202-L206 VanDerWaalsContact O-N 3.13Å; V203-L206 WeakPolarHBondContact O-CB 3.24Å; V203-L206 PolarHBondContact O-N 3.5Å; D204-L206 VanDerWaalsContact C-N 3.29Å; D204-L206 PolarHBondContact O-N 3.48Å; L206-G208 VanDerWaalsContact C-N 3.3Å; L206-A249 HydrophobicContact CD2-CB 3.94Å; L206-F252 HydrophobicContact CD1-CB 3.86Å; L206-F252 HydrophobicContact CD2-CB 4.15Å; L206-K256 HydrophobicContact CD1-CD 3.62Å
207K93.5Very high95.9Very high125 Ų12520.9 Ų20.954%0.54310%0.104SC..THydrogen-bonded Turntrans-80.9-7.9169.5-68.2169.3-176.2163.60113.3V203 D204 V205 E209V203-K207 HydrophobicContact CG1-CD 4.18Å; V203-K207 VanDerWaalsContact CG1-CE 3.42Å; V203-K207 WeakPolarHBondContact O-CG 3.22Å; V203-K207 PolarHBondContact O-N 3.48Å; D204-K207 WeakPolarHBondContact O-CB 3.46Å; D204-K207 PolarHBondContact O-N 3.22Å; D204-K207 VanDerWaalsContact O-N 3.13Å; D204-K207 IonicContact OD1-NZ 2.7Å; V205-K207 VanDerWaalsContact C-N 3.26Å; V205-K207 PolarHBondContact O-N 3.06Å; K207-E209 HydrophobicContact CB-CG 4.31Å
208G93.5Very high96.3Very high18 Ų1820.7 Ų20.719%0.18610%0.102CC..THydrogen-bonded Turntrans85.318.4-179.600000114.1V192 D204 V205 L206V192-G208 PolarHBondContact N-O 3Å; D204-G208 PolarHBondContact O-N 3.3Å; V205-G208 PolarHBondContact O-N 3.34Å; L206-G208 VanDerWaalsContact C-N 3.3Å
209E94.8Very high96.6Very high92 Ų9220.7 Ų20.743%0.4310%0.102SC..PPolyproline II helixtrans-73.1160.2173.2-58.5-175.8-166.700111.1D204 K207 Q211D204-E209 HydrophobicContact CB-CB 4.17Å; D204-E209 HydrophobicContact CB-CG 4.4Å; D204-E209 WeakPolarHBondContact CB-OE2 3.31Å; D204-E209 WeakPolarHBondContact O-CB 3.32Å; D204-E209 PolarHBondContact O-N 3.12Å; K207-E209 HydrophobicContact CB-CG 4.31Å; E209-Q211 PolarHBondContact O-N 2.95Å
210E95.3Very high96.8Very high9 Ų919.4 Ų19.44%0.04210%0.097CC..PPolyproline II helixtrans-68.9129.1175.3-175.776.7-92.700110.6R176 P188 R189 V192 Y286R176-E210 IonicContact CZ-OE1 2.69Å; R176-E210 IonicContact CZ-OE2 3.83Å; R176-E210 IonicContact NE-OE1 2.81Å; R176-E210 IonicContact NE-OE2 2.98Å; R176-E210 IonicContact NH2-OE1 3.54Å; R176-E210 IonicContact NH2-OE2 3.8Å; R176-E210 PolarHBondContact NH2-OE2 2.99Å; P188-E210 HydrophobicContact CB-CB 3.67Å; P188-E210 HydrophobicContact CB-CG 4.16Å; R189-E210 WeakPolarHBondContact CG-OE2 3.39Å; R189-E210 IonicContact CZ-OE1 2.53Å; R189-E210 IonicContact CZ-OE2 3.16Å; R189-E210 PolarHBondContact N-OE2 2.94Å; R189-E210 IonicContact NE-OE1 3.32Å; R189-E210 IonicContact NE-OE2 3.66Å; R189-E210 PolarHBondContact NE-OE2 2.98Å; R189-E210 IonicContact NH2-OE1 3.42Å; R189-E210 PolarHBondContact NH2-OE1 3.34Å; R189-E210 IonicContact NH2-OE2 2.72Å; R189-E210 PolarHBondContact NH2-OE2 3.46Å; V192-E210 HydrophobicContact CG2-CB 4.2Å; E210-Y286 HydrophobicContact CB-CD2 4.28Å; E210-Y286 HydrophobicContact CB-CE2 3.9Å; E210-Y286 HydrophobicContact CG-CD2 4.32Å; E210-Y286 HydrophobicContact CG-CE2 3.47Å; E210-Y286 VanDerWaalsContact CG-CE2 3.47Å
211Q96.2Very high96.9Very high12 Ų1218.6 Ų18.66%0.0569%0.094CC..PPolyproline II helixtrans-63.4138.3175.5-80.2-176.441.100112.3L147 V205 E209 D215 Y286L147-Q211 HydrophobicContact CD1-CB 4.14Å; L147-Q211 WeakPolarHBondContact CD1-O 3.36Å; V205-Q211 HydrophobicContact CB-CG 4.3Å; V205-Q211 HydrophobicContact CG1-CG 4.22Å; V205-Q211 VanDerWaalsContact CG1-NE2 3.32Å; V205-Q211 HydrophobicContact CG2-CB 4.49Å; V205-Q211 HydrophobicContact CG2-CG 3.19Å; E209-Q211 PolarHBondContact O-N 2.95Å; Q211-D215 WeakPolarHBondContact CA-OD2 3.4Å; Q211-D215 HydrophobicContact CG-CB 4.45Å; Q211-Y286 WeakPolarHBondContact O-CE2 3.41Å
212A97.2Very high97Very high3 Ų318.2 Ų18.23%0.0259%0.091CC..  trans-128178173.200000111.2K214 D215 Y286A212-K214 HydrophobicContact CB-CG 4.31Å; A212-K214 PolarHBondContact O-N 3.22Å; A212-D215 PolarHBondContact N-OD2 2.98Å; A212-D215 WeakPolarHBondContact O-CB 3.5Å; A212-D215 PolarHBondContact O-N 2.98Å; A212-Y286 HydrophobicContact CB-CD2 3.69Å; A212-Y286 HydrophobicContact CB-CE2 4.12Å; A212-Y286 HydrophobicContact CB-CG 4.3Å; A212-Y286 WeakPolarHBondContact CB-O 3.45Å
213R98.4Very high97Very high21 Ų2118.1 Ų18.18%0.0799%0.091CC..Hα-helixtrans-54.1-39.3178.6-64.8173.8-80.9-161.2-1.3112.6H142 L147 Y178 D215 D216 L217 Y287 D288 E289 P290H142-R213 HydrophobicContact CB-CG 4.32Å; L147-R213 HydrophobicContact CD2-CB 4.36Å; L147-R213 HydrophobicContact CD2-CG 3.85Å; Y178-R213 HydrophobicContact CE1-CG 4.3Å; Y178-R213 HydrophobicContact CE2-CG 4.07Å; Y178-R213 WeakPolarHBondContact OH-CD 3.5Å; R213-D215 PolarHBondContact O-N 2.98Å; R213-D216 PolarHBondContact O-N 3.26Å; R213-L217 WeakPolarHBondContact O-CD1 3.18Å; R213-L217 PolarHBondContact O-N 2.9Å; R213-Y287 PolarHBondContact NH2-O 3.35Å; R213-Y287 VanDerWaalsContact NH2-O 3.12Å; R213-D288 PolarHBondContact NE-O 3.18Å; R213-D288 PolarHBondContact NH2-O 3.22Å; R213-E289 IonicContact NH1-OE2 3.94Å; R213-P290 HydrophobicContact CB-CG 3.81Å
214K98.3Very high97.1Very high10 Ų1017.3 Ų17.34%0.0439%0.086CC..Hα-helixtrans-59.3-27.8177.969.4174.9176.963.90113D204 A212 L217 W218 L284D204-K214 IonicContact OD2-NZ 3.17Å; D204-K214 PolarHBondContact OD2-NZ 3.23Å; A212-K214 HydrophobicContact CB-CG 4.31Å; A212-K214 PolarHBondContact O-N 3.22Å; K214-L217 PolarHBondContact O-N 2.8Å; K214-W218 VanDerWaalsContact O-CD1 3.23Å; K214-W218 PolarHBondContact O-N 3.48Å; K214-L284 HydrophobicContact CB-CB 3.88Å; K214-L284 HydrophobicContact CB-CD1 3.88Å; K214-L284 HydrophobicContact CD-CB 3.82Å; K214-L284 WeakPolarHBondContact CD-O 3.43Å; K214-L284 WeakPolarHBondContact CE-O 3.49Å; K214-L284 HydrophobicContact CG-CB 4.47Å
215D98.3Very high97.2Very high1 Ų115.8 Ų15.81%0.0058%0.077CC..Hα-helixtrans-79.3-33.5-174.5-57.7-56.5000112S202 V205 Q211 A212 R213 L217 S219S202-D215 WeakPolarHBondContact CB-OD1 3.39Å; S202-D215 PolarHBondContact OG-OD1 3.46Å; V205-D215 HydrophobicContact CG2-CB 3.86Å; Q211-D215 WeakPolarHBondContact CA-OD2 3.4Å; Q211-D215 HydrophobicContact CG-CB 4.45Å; A212-D215 PolarHBondContact N-OD2 2.98Å; A212-D215 WeakPolarHBondContact O-CB 3.5Å; A212-D215 PolarHBondContact O-N 2.98Å; R213-D215 PolarHBondContact O-N 2.98Å; D215-L217 VanDerWaalsContact C-N 3.32Å; D215-S219 PolarHBondContact O-N 2.82Å; D215-S219 VanDerWaalsContact O-N 3.12Å; D215-S219 PolarHBondContact O-OG 3.34Å
216D98.6Very high97.3Very high1 Ų116.6 Ų16.61%0.0058%0.079CC..Hα-helixtrans-63.4-40.3166.9-77-24.7000110.5H142 L147 H148 R149 I151 R213 S219 W220H142-D216 IonicContact CE1-OD2 2.83Å; H142-D216 IonicContact NE2-OD2 3.52Å; H142-D216 PolarHBondContact NE2-OD2 2.96Å; H142-D216 VanDerWaalsContact NE2-OD2 3.16Å; L147-D216 WeakPolarHBondContact CA-OD2 3.22Å; H148-D216 PolarHBondContact N-OD2 2.69Å; R149-D216 WeakPolarHBondContact CA-OD1 3.34Å; R149-D216 PolarHBondContact N-OD1 2.78Å; I151-D216 HydrophobicContact CG1-CB 4.07Å; R213-D216 PolarHBondContact O-N 3.26Å; D216-S219 WeakPolarHBondContact O-CB 3.5Å; D216-S219 PolarHBondContact O-N 3.06Å; D216-W220 PolarHBondContact O-N 2.86Å
217L98.8Very high97.5Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-70.7-35.8177.2-9070.5000113.4L135 L138 R213 K214 D215 S219 W220 Y221 L281 P290 Y292L135-L217 HydrophobicContact CD1-CD2 4.48Å; L135-L217 HydrophobicContact CD1-CG 4.35Å; L138-L217 HydrophobicContact CD1-CD1 4.33Å; R213-L217 WeakPolarHBondContact O-CD1 3.18Å; R213-L217 PolarHBondContact O-N 2.9Å; K214-L217 PolarHBondContact O-N 2.8Å; D215-L217 VanDerWaalsContact C-N 3.32Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.02Å; L217-W220 PolarHBondContact O-N 3.24Å; L217-Y221 VanDerWaalsContact O-CB 3.27Å; L217-Y221 WeakPolarHBondContact O-CB 3.36Å; L217-Y221 PolarHBondContact O-N 3.41Å; L217-L281 HydrophobicContact CB-CD1 4.3Å; L217-L281 HydrophobicContact CB-CD2 3.68Å; L217-L281 HydrophobicContact CD2-CD2 3.84Å; L217-L281 HydrophobicContact CG-CD2 4.42Å; L217-P290 HydrophobicContact CD1-CG 4.4Å; L217-P290 HydrophobicContact CD2-CB 3.43Å; L217-P290 VanDerWaalsContact CD2-CB 3.43Å; L217-P290 HydrophobicContact CD2-CG 3.94Å; L217-Y292 HydrophobicContact CD1-CE1 3.87Å; L217-Y292 HydrophobicContact CD2-CE1 4.28Å
218W98.6Very high97.7Very high14 Ų1411.2 Ų11.25%0.0536%0.058CC..Hα-helixtrans-59.5-43171.1-90.7118.1000111.3K214 Y221 F222 L260 I263 L281 N282K214-W218 VanDerWaalsContact O-CD1 3.23Å; K214-W218 PolarHBondContact O-N 3.48Å; W218-Y221 AromaticContact CE3-CD1 3.9Å; W218-Y221 HydrophobicContact CE3-CD1 3.9Å; W218-Y221 AromaticContact CZ3-CD1 3.7Å; W218-Y221 HydrophobicContact CZ3-CD1 3.7Å; W218-Y221 AromaticContact CZ3-CE1 3.98Å; W218-Y221 HydrophobicContact CZ3-CE1 3.98Å; W218-Y221 WeakPolarHBondContact O-CB 3.47Å; W218-Y221 PolarHBondContact O-N 3.03Å; W218-F222 HydrophobicContact CB-CE2 4.4Å; W218-F222 HydrophobicContact CB-CZ 4.42Å; W218-F222 HydrophobicContact CD2-CZ 4.31Å; W218-F222 HydrophobicContact CE3-CD1 4.46Å; W218-F222 AromaticContact CE3-CE1 3.54Å; W218-F222 HydrophobicContact CE3-CE1 3.54Å; W218-F222 AromaticContact CE3-CZ 3.61Å; W218-F222 HydrophobicContact CE3-CZ 3.61Å; W218-F222 AromaticContact CZ3-CE1 3.9Å; W218-F222 HydrophobicContact CZ3-CE1 3.9Å; W218-F222 HydrophobicContact CZ3-CZ 4.27Å; W218-F222 VanDerWaalsContact O-CD2 3.28Å; W218-F222 WeakPolarHBondContact O-CD2 3.42Å; W218-F222 VanDerWaalsContact O-CG 3.24Å; W218-F222 WeakPolarHBondContact O-CG 3.39Å; W218-F222 PolarHBondContact O-N 3.36Å; W218-L260 HydrophobicContact CH2-CD1 4.28Å; W218-L260 HydrophobicContact CH2-CD2 4.31Å; W218-L260 HydrophobicContact CZ3-CD1 4.1Å; W218-L260 HydrophobicContact CZ3-CD2 3.96Å; W218-I263 HydrophobicContact CH2-CD1 4.04Å; W218-L281 HydrophobicContact CD2-CB 4Å; W218-L281 HydrophobicContact CD2-CD1 4.1Å; W218-L281 HydrophobicContact CE3-CB 4.4Å; W218-L281 HydrophobicContact CE3-CD1 4.1Å; W218-L281 HydrophobicContact CG-CD1 4.46Å; W218-L281 HydrophobicContact CH2-CB 4.02Å; W218-L281 HydrophobicContact CZ2-CB 3.59Å; W218-L281 HydrophobicContact CZ3-CB 4.41Å; W218-L281 HydrophobicContact CZ3-CD1 4.49Å; W218-L281 PolarHBondContact NE1-O 3.38Å; W218-N282 HydrophobicContact CH2-CB 4.44Å; W218-N282 HydrophobicContact CZ2-CB 4.1Å
219S98.5Very high97.9Very high9 Ų912 Ų126%0.0636%0.059CC..Hα-helixtrans-65.9-42.4178.2-54.40000111.3Y200 D215 D216 L217 Y221 F222 M223Y200-S219 WeakPolarHBondContact O-CA 3.26Å; Y200-S219 WeakPolarHBondContact O-CB 3.38Å; Y200-S219 PolarHBondContact O-OG 3.29Å; D215-S219 PolarHBondContact O-N 2.82Å; D215-S219 VanDerWaalsContact O-N 3.12Å; D215-S219 PolarHBondContact O-OG 3.34Å; D216-S219 WeakPolarHBondContact O-CB 3.5Å; D216-S219 PolarHBondContact O-N 3.06Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.02Å; S219-Y221 VanDerWaalsContact C-N 3.34Å; S219-Y221 PolarHBondContact O-N 3Å; S219-F222 PolarHBondContact O-N 3.37Å; S219-M223 WeakPolarHBondContact O-CB 3.46Å; S219-M223 PolarHBondContact O-N 3.06Å
220W98.8Very high98Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-60-40.9171.2169.786.8000112.5A131 S134 L135 L138 I151 D216 L217 M223 L224 I277 C295 L299A131-W220 HydrophobicContact CB-CZ2 4.02Å; A131-W220 PolarHBondContact O-NE1 3.18Å; A131-W220 VanDerWaalsContact O-NE1 3.12Å; S134-W220 VanDerWaalsContact OG-CD1 3.26Å; S134-W220 PolarHBondContact OG-NE1 3.26Å; L135-W220 HydrophobicContact CB-CZ2 3.87Å; L135-W220 HydrophobicContact CD1-CD2 4.35Å; L135-W220 HydrophobicContact CD1-CE3 4.47Å; L135-W220 HydrophobicContact CD1-CZ2 4.38Å; L135-W220 HydrophobicContact CD2-CH2 4.05Å; L135-W220 HydrophobicContact CD2-CZ2 4.02Å; L135-W220 HydrophobicContact CG-CZ2 4.31Å; L138-W220 HydrophobicContact CD1-CB 3.71Å; L138-W220 HydrophobicContact CD1-CG 4.1Å; I151-W220 HydrophobicContact CG2-CB 4.08Å; D216-W220 PolarHBondContact O-N 2.86Å; L217-W220 PolarHBondContact O-N 3.24Å; W220-M223 WeakPolarHBondContact O-CB 3.48Å; W220-M223 PolarHBondContact O-N 2.93Å; W220-L224 HydrophobicContact CH2-CD2 3.77Å; W220-L224 HydrophobicContact CZ2-CD2 4.01Å; W220-L224 HydrophobicContact CZ3-CD2 4.25Å; W220-L224 WeakPolarHBondContact O-CB 3.45Å; W220-L224 PolarHBondContact O-N 2.99Å; W220-I277 HydrophobicContact CH2-CD1 4.31Å; W220-I277 HydrophobicContact CZ3-CG2 3.91Å; W220-C295 HydrophobicContact CH2-CB 4.45Å; W220-L299 HydrophobicContact CH2-CD1 4.28Å; W220-L299 HydrophobicContact CZ2-CD1 4.08Å
221Y98.8Very high98Very high0 Ų010.8 Ų10.80%05%0.053CC..Hα-helixtrans-66.1-42179.3178.9-111.6000112.2L217 W218 S219 M223 L224 V225 F266 C267 F274 I277 L281L217-Y221 VanDerWaalsContact O-CB 3.27Å; L217-Y221 WeakPolarHBondContact O-CB 3.36Å; L217-Y221 PolarHBondContact O-N 3.41Å; W218-Y221 AromaticContact CE3-CD1 3.9Å; W218-Y221 HydrophobicContact CE3-CD1 3.9Å; W218-Y221 AromaticContact CZ3-CD1 3.7Å; W218-Y221 HydrophobicContact CZ3-CD1 3.7Å; W218-Y221 AromaticContact CZ3-CE1 3.98Å; W218-Y221 HydrophobicContact CZ3-CE1 3.98Å; W218-Y221 WeakPolarHBondContact O-CB 3.47Å; W218-Y221 PolarHBondContact O-N 3.03Å; S219-Y221 VanDerWaalsContact C-N 3.34Å; S219-Y221 PolarHBondContact O-N 3Å; Y221-M223 VanDerWaalsContact C-N 3.31Å; Y221-M223 PolarHBondContact O-N 3.46Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 PolarHBondContact O-N 2.96Å; Y221-V225 HydrophobicContact CE1-CG2 4.49Å; Y221-V225 HydrophobicContact CE2-CG2 4.29Å; Y221-V225 PolarHBondContact O-N 3.05Å; Y221-F266 HydrophobicContact CD1-CE1 4.08Å; Y221-F266 AromaticContact CE1-CD1 3.83Å; Y221-F266 HydrophobicContact CE1-CD1 3.83Å; Y221-F266 AromaticContact CE1-CE1 3.39Å; Y221-F266 HydrophobicContact CE1-CE1 3.39Å; Y221-F266 HydrophobicContact CE1-CZ 4.44Å; Y221-C267 PolarHBondContact OH-SG 3.49Å; Y221-F274 HydrophobicContact CE2-CB 4.26Å; Y221-F274 WeakPolarHBondContact CE2-O 3.43Å; Y221-F274 PolarHBondContact OH-O 3.13Å; Y221-F274 VanDerWaalsContact OH-O 3.07Å; Y221-I277 HydrophobicContact CD2-CB 4.39Å; Y221-I277 HydrophobicContact CD2-CG2 3.76Å; Y221-I277 HydrophobicContact CE2-CB 4.19Å; Y221-I277 HydrophobicContact CE2-CG2 4.05Å; Y221-L281 HydrophobicContact CG-CD1 4.07Å
222F98.6Very high98Very high0 Ų010.4 Ų10.40%05%0.052CC..Hα-helixtrans-64.5-37.7173-57.5-28.7000112Y200 W218 S219 R226 W234 K256 L260 F266Y200-F222 HydrophobicContact CD1-CB 4.12Å; Y200-F222 WeakPolarHBondContact O-CD2 3.43Å; W218-F222 HydrophobicContact CB-CE2 4.4Å; W218-F222 HydrophobicContact CB-CZ 4.42Å; W218-F222 HydrophobicContact CD2-CZ 4.31Å; W218-F222 HydrophobicContact CE3-CD1 4.46Å; W218-F222 AromaticContact CE3-CE1 3.54Å; W218-F222 HydrophobicContact CE3-CE1 3.54Å; W218-F222 AromaticContact CE3-CZ 3.61Å; W218-F222 HydrophobicContact CE3-CZ 3.61Å; W218-F222 AromaticContact CZ3-CE1 3.9Å; W218-F222 HydrophobicContact CZ3-CE1 3.9Å; W218-F222 HydrophobicContact CZ3-CZ 4.27Å; W218-F222 VanDerWaalsContact O-CD2 3.28Å; W218-F222 WeakPolarHBondContact O-CD2 3.42Å; W218-F222 VanDerWaalsContact O-CG 3.24Å; W218-F222 WeakPolarHBondContact O-CG 3.39Å; W218-F222 PolarHBondContact O-N 3.36Å; S219-F222 PolarHBondContact O-N 3.37Å; F222-R226 VanDerWaalsContact O-CB 3.22Å; F222-R226 WeakPolarHBondContact O-CB 3.36Å; F222-R226 PolarHBondContact O-N 3.5Å; F222-W234 HydrophobicContact CB-CZ2 4.45Å; F222-W234 AromaticContact CD1-CH2 3.83Å; F222-W234 HydrophobicContact CD1-CH2 3.83Å; F222-W234 HydrophobicContact CD1-CZ2 4.01Å; F222-W234 HydrophobicContact CD2-CH2 4.39Å; F222-W234 AromaticContact CD2-CZ2 3.93Å; F222-W234 HydrophobicContact CD2-CZ2 3.93Å; F222-W234 AromaticContact CE1-CH2 3.74Å; F222-W234 HydrophobicContact CE1-CH2 3.74Å; F222-W234 HydrophobicContact CE1-CZ2 4.23Å; F222-W234 HydrophobicContact CE2-CH2 4.33Å; F222-W234 HydrophobicContact CE2-CZ2 4.18Å; F222-W234 HydrophobicContact CG-CH2 4.18Å; F222-W234 AromaticContact CG-CZ2 3.86Å; F222-W234 HydrophobicContact CG-CZ2 3.86Å; F222-W234 HydrophobicContact CZ-CH2 4.01Å; F222-W234 HydrophobicContact CZ-CZ2 4.32Å; F222-K256 HydrophobicContact CE2-CD 4.25Å; F222-L260 HydrophobicContact CE1-CD1 4.05Å; F222-L260 HydrophobicContact CE1-CD2 4.14Å; F222-L260 HydrophobicContact CZ-CD1 3.91Å; F222-F266 HydrophobicContact CD1-CE1 4.32Å; F222-F266 HydrophobicContact CD1-CE2 4.48Å; F222-F266 AromaticContact CD1-CZ 3.7Å; F222-F266 HydrophobicContact CD1-CZ 3.7Å; F222-F266 HydrophobicContact CE1-CZ 4.11Å
223M97.9Very high97.9Very high0 Ų013.9 Ų13.90%07%0.074CC..Hα-helixtrans-61.2-46.5172.6178.8174.879.200111.3F104 P153 F156 Y200 S219 W220 Y221 R226 M227F104-M223 HydrophobicContact CD2-CE 4.33Å; F104-M223 HydrophobicContact CD2-SD 4.16Å; F104-M223 HydrophobicContact CE2-CE 4.21Å; P153-M223 HydrophobicContact CB-SD 4.46Å; P153-M223 HydrophobicContact CG-CG 3.91Å; P153-M223 HydrophobicContact CG-SD 4.14Å; F156-M223 HydrophobicContact CD2-CE 4.03Å; F156-M223 HydrophobicContact CD2-SD 4.06Å; F156-M223 HydrophobicContact CE2-CE 4.04Å; F156-M223 HydrophobicContact CE2-SD 4.36Å; Y200-M223 HydrophobicContact CD1-CB 4.48Å; Y200-M223 HydrophobicContact CE1-CB 4.4Å; S219-M223 WeakPolarHBondContact O-CB 3.46Å; S219-M223 PolarHBondContact O-N 3.06Å; W220-M223 WeakPolarHBondContact O-CB 3.48Å; W220-M223 PolarHBondContact O-N 2.93Å; Y221-M223 VanDerWaalsContact C-N 3.31Å; Y221-M223 PolarHBondContact O-N 3.46Å; M223-R226 PolarHBondContact O-N 2.76Å; M223-M227 HydrophobicContact CE-CE 4.35Å; M223-M227 HydrophobicContact CG-CE 3.9Å; M223-M227 HydrophobicContact CG-CG 4.44Å; M223-M227 HydrophobicContact CG-SD 4.1Å; M223-M227 WeakPolarHBondContact O-CB 3.47Å; M223-M227 VanDerWaalsContact O-CG 3.29Å; M223-M227 WeakPolarHBondContact O-CG 3.35Å; M223-M227 PolarHBondContact O-N 3.37Å
224L98.6Very high97.8Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-57.8-50.2177.117454.2000112.1A131 W220 Y221 M227 T228 F274 L299A131-L224 HydrophobicContact CB-CD1 3.61Å; A131-L224 HydrophobicContact CB-CD2 4.39Å; W220-L224 HydrophobicContact CH2-CD2 3.77Å; W220-L224 HydrophobicContact CZ2-CD2 4.01Å; W220-L224 HydrophobicContact CZ3-CD2 4.25Å; W220-L224 WeakPolarHBondContact O-CB 3.45Å; W220-L224 PolarHBondContact O-N 2.99Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 PolarHBondContact O-N 2.96Å; L224-M227 PolarHBondContact O-N 2.85Å; L224-T228 WeakPolarHBondContact O-CB 3.5Å; L224-T228 PolarHBondContact O-N 3.23Å; L224-T228 PolarHBondContact O-OG1 2.91Å; L224-F274 HydrophobicContact CD1-CE1 4.25Å; L224-F274 HydrophobicContact CD1-CE2 3.87Å; L224-F274 HydrophobicContact CD1-CZ 3.44Å; L224-F274 VanDerWaalsContact CD1-CZ 3.44Å; L224-F274 HydrophobicContact CD2-CD1 4.28Å; L224-F274 HydrophobicContact CD2-CD2 4.42Å; L224-F274 HydrophobicContact CD2-CE1 3.84Å; L224-F274 HydrophobicContact CD2-CE2 4.01Å; L224-F274 HydrophobicContact CD2-CZ 3.71Å; L224-F274 HydrophobicContact CG-CD2 4.26Å; L224-F274 HydrophobicContact CG-CE1 4.17Å; L224-F274 HydrophobicContact CG-CE2 3.54Å; L224-F274 HydrophobicContact CG-CZ 3.49Å; L224-F274 VanDerWaalsContact CG-CZ 3.49Å; L224-L299 HydrophobicContact CD2-CD2 4.15Å
225V98.5Very high97.5Very high1 Ų116 Ų161%0.0068%0.081CC..Hα-helixtrans-61.6-47.1176.5170.20000110.6Y221 M227 T228 V229 V232 F266 F274Y221-V225 HydrophobicContact CE1-CG2 4.49Å; Y221-V225 HydrophobicContact CE2-CG2 4.29Å; Y221-V225 PolarHBondContact O-N 3.05Å; V225-M227 VanDerWaalsContact C-N 3.33Å; V225-M227 PolarHBondContact O-N 2.79Å; V225-T228 PolarHBondContact O-N 3.03Å; V225-T228 VanDerWaalsContact O-N 3.11Å; V225-V229 HydrophobicContact CG1-CG2 3.95Å; V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 3.11Å; V225-V232 HydrophobicContact CG1-CG1 4.22Å; V225-F266 HydrophobicContact CB-CE1 4.24Å; V225-F266 HydrophobicContact CB-CZ 4.42Å; V225-F266 HydrophobicContact CG1-CE1 4.18Å; V225-F266 HydrophobicContact CG1-CZ 4.22Å; V225-F266 HydrophobicContact CG2-CE1 3.79Å; V225-F266 HydrophobicContact CG2-CZ 4.44Å; V225-F274 HydrophobicContact CG2-CD2 4.06Å
226R97.8Very high97.1Very high25 Ų2521.9 Ų21.99%0.09412%0.118CC..Hα-helixtrans-58.3-42.9178.6175.158.4-17177.2-4.7112.2T120 F222 M223 T228 G230 Q231 V232T120-R226 PolarHBondContact O-NH1 2.96Å; T120-R226 PolarHBondContact OG1-NH2 3.41Å; T120-R226 VanDerWaalsContact OG1-NH2 3.1Å; F222-R226 VanDerWaalsContact O-CB 3.22Å; F222-R226 WeakPolarHBondContact O-CB 3.36Å; F222-R226 PolarHBondContact O-N 3.5Å; M223-R226 PolarHBondContact O-N 2.76Å; R226-T228 VanDerWaalsContact C-N 3.32Å; R226-G230 PolarHBondContact NE-O 2.82Å; R226-G230 VanDerWaalsContact NH1-C 3.31Å; R226-G230 VanDerWaalsContact NH1-CA 3.31Å; R226-G230 PolarHBondContact NH1-O 3.08Å; R226-G230 CarbonylContact O-C 3.39Å; R226-G230 WeakPolarHBondContact O-CA 3.41Å; R226-G230 PolarHBondContact O-N 3.39Å; R226-Q231 VanDerWaalsContact CD-CA 3.48Å; R226-V232 HydrophobicContact CB-CG1 4.24Å
227M98.2Very high96.5Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-66.4-35.4178.3-74.3-174.8-51.800112.1F104 L108 R121 F122 C127 L130 M223 L224 V225F104-M227 HydrophobicContact CB-SD 4.46Å; F104-M227 HydrophobicContact CD2-SD 3.89Å; F104-M227 HydrophobicContact CG-SD 4.49Å; L108-M227 HydrophobicContact CD1-CG 4.08Å; R121-M227 VanDerWaalsContact CA-O 3.31Å; R121-M227 WeakPolarHBondContact CA-O 3.37Å; R121-M227 WeakPolarHBondContact CB-O 3.35Å; F122-M227 HydrophobicContact CD2-CB 4.11Å; F122-M227 HydrophobicContact CD2-CG 4.12Å; F122-M227 HydrophobicContact CD2-SD 4.19Å; F122-M227 HydrophobicContact CE2-CG 4.14Å; F122-M227 HydrophobicContact CE2-SD 3.99Å; F122-M227 PolarHBondContact N-O 3.28Å; F122-M227 VanDerWaalsContact N-O 3.07Å; C127-M227 VanDerWaalsContact SG-C 3.54Å; C127-M227 PolarHBondContact SG-O 3.33Å; C127-M227 VanDerWaalsContact SG-O 3.38Å; L130-M227 HydrophobicContact CB-CE 4.34Å; L130-M227 HydrophobicContact CD1-SD 4.09Å; M223-M227 HydrophobicContact CE-CE 4.35Å; M223-M227 HydrophobicContact CG-CE 3.9Å; M223-M227 HydrophobicContact CG-CG 4.44Å; M223-M227 HydrophobicContact CG-SD 4.1Å; M223-M227 WeakPolarHBondContact O-CB 3.47Å; M223-M227 VanDerWaalsContact O-CG 3.29Å; M223-M227 WeakPolarHBondContact O-CG 3.35Å; M223-M227 PolarHBondContact O-N 3.37Å; L224-M227 PolarHBondContact O-N 2.85Å; V225-M227 VanDerWaalsContact C-N 3.33Å; V225-M227 PolarHBondContact O-N 2.79Å
228T98.1Very high95.6Very high20 Ų2029.3 Ų29.312%0.12316%0.161CC..Hα-helixtrans-79.1-50.1-174.4-54.90000112.6L124 C127 L224 V225 R226 F274L124-T228 HydrophobicContact CD1-CG2 4.13Å; C127-T228 VanDerWaalsContact SG-CA 3.59Å; L224-T228 WeakPolarHBondContact O-CB 3.5Å; L224-T228 PolarHBondContact O-N 3.23Å; L224-T228 PolarHBondContact O-OG1 2.91Å; V225-T228 PolarHBondContact O-N 3.03Å; V225-T228 VanDerWaalsContact O-N 3.11Å; R226-T228 VanDerWaalsContact C-N 3.32Å; T228-F274 HydrophobicContact CG2-CE2 4.2Å
229V96.8Very high94.6Very high35 Ų3529.4 Ų29.421%0.21216%0.163CC..Hα-helixtrans-106.7-2.1-174.9-59.80000113.6V225 Q231 G269 C270V225-V229 HydrophobicContact CG1-CG2 3.95Å; V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 3.11Å; V229-Q231 VanDerWaalsContact C-N 3.32Å; V229-Q231 WeakPolarHBondContact CG2-O 3.18Å; V229-Q231 PolarHBondContact O-N 3.47Å; V229-G269 WeakPolarHBondContact CG1-O 3.49Å; V229-C270 VanDerWaalsContact CG1-SG 3.53Å
230G97.2Very high93.6Very high0 Ų032.2 Ų32.20%018%0.181CC..SBendtrans82.82.3175.900000115.4T120 R226 R235T120-G230 VanDerWaalsContact O-CA 3.26Å; T120-G230 WeakPolarHBondContact O-CA 3.25Å; R226-G230 PolarHBondContact NE-O 2.82Å; R226-G230 VanDerWaalsContact NH1-C 3.31Å; R226-G230 VanDerWaalsContact NH1-CA 3.31Å; R226-G230 PolarHBondContact NH1-O 3.08Å; R226-G230 CarbonylContact O-C 3.39Å; R226-G230 WeakPolarHBondContact O-CA 3.41Å; R226-G230 PolarHBondContact O-N 3.39Å; G230-R235 PolarHBondContact O-NH1 2.9Å; G230-R235 VanDerWaalsContact O-NH1 3.15Å
231Q95.6Very high92.3Very high75 Ų7543.9 Ų43.935%0.3523%0.225SC..  trans-159.6167.617863.1179.322.100113.4R119 R226 V229 R235R119-Q231 HydrophobicContact CG-CB 4.43Å; R226-Q231 VanDerWaalsContact CD-CA 3.48Å; V229-Q231 VanDerWaalsContact C-N 3.32Å; V229-Q231 WeakPolarHBondContact CG2-O 3.18Å; V229-Q231 PolarHBondContact O-N 3.47Å; Q231-R235 HydrophobicContact CB-CB 4.31Å
232V96.4Very high91.6Very high4 Ų451.8 Ų51.82%0.02427%0.267CS..  trans-125159.7160.2-71.50000108.1Y199 V225 R226 W234 R235 F266Y199-V232 HydrophobicContact CE1-CG2 3.79Å; Y199-V232 WeakPolarHBondContact OH-CG2 3.4Å; V225-V232 HydrophobicContact CG1-CG1 4.22Å; R226-V232 HydrophobicContact CB-CG1 4.24Å; V232-W234 HydrophobicContact CB-CD2 4.37Å; V232-W234 HydrophobicContact CB-CZ2 4.09Å; V232-W234 HydrophobicContact CG1-CZ2 4.45Å; V232-W234 HydrophobicContact CG2-CD2 4.11Å; V232-W234 HydrophobicContact CG2-CG 4.25Å; V232-W234 HydrophobicContact CG2-CZ2 4.09Å; V232-W234 PolarHBondContact O-N 3.45Å; V232-R235 WeakPolarHBondContact O-CB 3.27Å; V232-R235 PolarHBondContact O-N 3.29Å; V232-F266 HydrophobicContact CG1-CZ 4.27Å
233P95.4Very high91Very high76 Ų7652.4 Ų52.449%0.49427%0.273SS..THydrogen-bonded Turntrans-59.7-24.3-171.2-29.639.3000115.6A259 F266P233-A259 HydrophobicContact CB-CB 3.94Å; P233-A259 HydrophobicContact CG-CB 4.01Å; P233-F266 VanDerWaalsContact CD-CE2 3.46Å; P233-F266 HydrophobicContact CG-CD2 3.81Å; P233-F266 HydrophobicContact CG-CE2 4.07Å
234W95.2Very high90.6Very high5 Ų556 Ų562%0.01930%0.298CS..THydrogen-bonded Turntrans-95.217.9175.854.783.7000113.3Y199 F222 V232 T236 F237 F252 A255 K256 A259 F266Y199-W234 PolarHBondContact O-NE1 3.26Å; F222-W234 HydrophobicContact CB-CZ2 4.45Å; F222-W234 AromaticContact CD1-CH2 3.83Å; F222-W234 HydrophobicContact CD1-CH2 3.83Å; F222-W234 HydrophobicContact CD1-CZ2 4.01Å; F222-W234 HydrophobicContact CD2-CH2 4.39Å; F222-W234 AromaticContact CD2-CZ2 3.93Å; F222-W234 HydrophobicContact CD2-CZ2 3.93Å; F222-W234 AromaticContact CE1-CH2 3.74Å; F222-W234 HydrophobicContact CE1-CH2 3.74Å; F222-W234 HydrophobicContact CE1-CZ2 4.23Å; F222-W234 HydrophobicContact CE2-CH2 4.33Å; F222-W234 HydrophobicContact CE2-CZ2 4.18Å; F222-W234 HydrophobicContact CG-CH2 4.18Å; F222-W234 AromaticContact CG-CZ2 3.86Å; F222-W234 HydrophobicContact CG-CZ2 3.86Å; F222-W234 HydrophobicContact CZ-CH2 4.01Å; F222-W234 HydrophobicContact CZ-CZ2 4.32Å; V232-W234 HydrophobicContact CB-CD2 4.37Å; V232-W234 HydrophobicContact CB-CZ2 4.09Å; V232-W234 HydrophobicContact CG1-CZ2 4.45Å; V232-W234 HydrophobicContact CG2-CD2 4.11Å; V232-W234 HydrophobicContact CG2-CG 4.25Å; V232-W234 HydrophobicContact CG2-CZ2 4.09Å; V232-W234 PolarHBondContact O-N 3.45Å; W234-T236 VanDerWaalsContact C-N 3.35Å; W234-T236 PolarHBondContact O-N 3.09Å; W234-F237 HydrophobicContact CB-CB 4.08Å; W234-F237 VanDerWaalsContact O-CB 3.22Å; W234-F237 WeakPolarHBondContact O-CB 3.07Å; W234-F237 PolarHBondContact O-N 3.48Å; W234-F237 VanDerWaalsContact O-N 3.11Å; W234-F252 AromaticContact CD1-CE1 3.91Å; W234-F252 HydrophobicContact CG-CD1 4.46Å; W234-F252 HydrophobicContact CG-CE1 4.49Å; W234-A255 HydrophobicContact CB-CB 4.38Å; W234-K256 HydrophobicContact CD2-CD 4.38Å; W234-K256 HydrophobicContact CD2-CG 3.67Å; W234-K256 VanDerWaalsContact CE2-CE 3.4Å; W234-K256 HydrophobicContact CE3-CB 4.31Å; W234-K256 HydrophobicContact CE3-CG 3.6Å; W234-K256 HydrophobicContact CG-CG 4.4Å; W234-K256 HydrophobicContact CH2-CB 4.37Å; W234-K256 HydrophobicContact CH2-CD 4.08Å; W234-K256 HydrophobicContact CH2-CG 3.74Å; W234-K256 HydrophobicContact CZ2-CD 3.84Å; W234-K256 HydrophobicContact CZ2-CG 3.82Å; W234-K256 HydrophobicContact CZ3-CB 4.08Å; W234-K256 HydrophobicContact CZ3-CD 4.47Å; W234-K256 HydrophobicContact CZ3-CG 3.64Å; W234-A259 HydrophobicContact CE3-CB 4.03Å; W234-A259 HydrophobicContact CZ3-CB 3.78Å; W234-F266 AromaticContact CH2-CE2 3.56Å; W234-F266 HydrophobicContact CH2-CE2 3.56Å; W234-F266 HydrophobicContact CH2-CZ 4.09Å; W234-F266 HydrophobicContact CZ3-CD2 4.28Å; W234-F266 AromaticContact CZ3-CE2 3.64Å; W234-F266 HydrophobicContact CZ3-CE2 3.64Å
235R92.9Very high90.1Very high69 Ų6959 Ų5926%0.2632%0.316SS..THydrogen-bonded Turntrans-54.2-49.2-178.9174.5-174.6164.7157.5-0112.7G118 Y199 G230 Q231 V232 F237G118-R235 VanDerWaalsContact C-NH1 3.3Å; G118-R235 VanDerWaalsContact C-NH2 3.34Å; G118-R235 VanDerWaalsContact O-CZ 3.22Å; G118-R235 PolarHBondContact O-NH1 3.34Å; G118-R235 PolarHBondContact O-NH2 3.46Å; Y199-R235 WeakPolarHBondContact OH-CA 3.37Å; G230-R235 PolarHBondContact O-NH1 2.9Å; G230-R235 VanDerWaalsContact O-NH1 3.15Å; Q231-R235 HydrophobicContact CB-CB 4.31Å; V232-R235 WeakPolarHBondContact O-CB 3.27Å; V232-R235 PolarHBondContact O-N 3.29Å; R235-F237 PolarHBondContact O-N 3.07Å
236T89Confident89.6Confident125 Ų12562.4 Ų62.477%0.76734%0.344SS*.THydrogen-bonded Turntrans-87.910.6-177.354.40000112.6W234 C238W234-T236 VanDerWaalsContact C-N 3.35Å; W234-T236 PolarHBondContact O-N 3.09Å; T236-C238 PolarHBondContact O-N 3.3Å
237F87.2Confident89.2Confident65 Ų6567.4 Ų67.429%0.28537%0.367SS..  trans-79.1109.9-179.8179.9-100.3000110.3W234 R235 P239 A251 F252W234-F237 HydrophobicContact CB-CB 4.08Å; W234-F237 VanDerWaalsContact O-CB 3.22Å; W234-F237 WeakPolarHBondContact O-CB 3.07Å; W234-F237 PolarHBondContact O-N 3.48Å; W234-F237 VanDerWaalsContact O-N 3.11Å; R235-F237 PolarHBondContact O-N 3.07Å; F237-P239 HydrophobicContact CE1-CB 4.17Å; F237-A251 HydrophobicContact CE1-CB 4.11Å; F237-A251 HydrophobicContact CZ-CB 3.66Å; F237-F252 AromaticContact CD1-CD1 3.95Å; F237-F252 HydrophobicContact CD1-CD1 3.95Å; F237-F252 HydrophobicContact CD1-CD2 4.18Å; F237-F252 AromaticContact CD1-CE1 3.7Å; F237-F252 HydrophobicContact CD1-CE1 3.7Å; F237-F252 AromaticContact CD1-CE2 3.96Å; F237-F252 HydrophobicContact CD1-CE2 3.96Å; F237-F252 HydrophobicContact CD1-CG 4.18Å; F237-F252 AromaticContact CD1-CZ 3.71Å; F237-F252 HydrophobicContact CD1-CZ 3.71Å; F237-F252 HydrophobicContact CE1-CD1 4.41Å; F237-F252 HydrophobicContact CE1-CD2 4Å; F237-F252 HydrophobicContact CE1-CE1 4.46Å; F237-F252 HydrophobicContact CE1-CE2 4.06Å; F237-F252 HydrophobicContact CE1-CG 4.19Å; F237-F252 HydrophobicContact CE1-CZ 4.29Å
238C80.3Confident89Confident93 Ų9369.1 Ų69.163%0.62838%0.375SS*.  trans-96.7113172.1-64.20000109.5T236T236-C238 PolarHBondContact O-N 3.3Å
239P75.9Confident88.7Confident16 Ų1668.3 Ų68.310%0.10437%0.37CS..  trans-62.3154.7171.127.6-34.1000110.2F237 R241 Q248 F252F237-P239 HydrophobicContact CE1-CB 4.17Å; P239-R241 PolarHBondContact O-N 2.99Å; P239-Q248 HydrophobicContact CB-CB 3.93Å; P239-Q248 HydrophobicContact CB-CG 3.77Å; P239-Q248 HydrophobicContact CG-CB 4.49Å; P239-Q248 HydrophobicContact CG-CG 4.33Å; P239-F252 HydrophobicContact CB-CE2 4.38Å; P239-F252 HydrophobicContact CG-CE2 3.95Å
240P77.8Confident88.5Confident68 Ų6869.5 Ų69.544%0.44238%0.384SS..  trans-58.9126.8179.6-17.427.9000110.5N242 A243P240-N242 PolarHBondContact O-N 3.27Å; P240-A243 HydrophobicContact CB-CB 3.96Å; P240-A243 HydrophobicContact CG-CB 4.17Å; P240-A243 VanDerWaalsContact O-CB 3.23Å; P240-A243 WeakPolarHBondContact O-CB 3.47Å; P240-A243 PolarHBondContact O-N 2.83Å
241R73Confident88.3Confident245 Ų24570.7 Ų70.793%0.92539%0.393SS*.THydrogen-bonded Turntrans-51.8-31-171.4-74.1-175.4-179.8171.7-0.2114.9P239P239-R241 PolarHBondContact O-N 2.99Å
242N82.7Confident88.2Confident165 Ų16567.2 Ų67.288%0.88238%0.377SS*.THydrogen-bonded Turntrans-106.212.9-178.6-60.6-17.7000113.2P240P240-N242 PolarHBondContact O-N 3.27Å
243A85.8Confident88.1Confident13 Ų1367.3 Ų67.311%0.10738%0.379CS..  trans-74.8138.3176.200000110.6P240 K247 Q248P240-A243 HydrophobicContact CB-CB 3.96Å; P240-A243 HydrophobicContact CG-CB 4.17Å; P240-A243 VanDerWaalsContact O-CB 3.23Å; P240-A243 WeakPolarHBondContact O-CB 3.47Å; P240-A243 PolarHBondContact O-N 2.83Å; A243-K247 HydrophobicContact CB-CB 4.05Å; A243-K247 HydrophobicContact CB-CD 3.91Å; A243-K247 HydrophobicContact CB-CG 4Å; A243-Q248 HydrophobicContact CB-CG 3.8Å; A243-Q248 PolarHBondContact O-NE2 3.09Å
244S89.9Confident88.1Confident76 Ų7670.8 Ų70.853%0.53139%0.388SS..  trans-57.7152.4169660000110.6A246 K247 Q248S244-A246 PolarHBondContact O-N 3.44Å; S244-A246 VanDerWaalsContact O-N 3.11Å; S244-K247 WeakPolarHBondContact O-CA 3.38Å; S244-K247 WeakPolarHBondContact O-CB 3.4Å; S244-K247 PolarHBondContact O-N 3.12Å; S244-K247 PolarHBondContact OG-N 3.25Å; S244-Q248 WeakPolarHBondContact O-CG 3.32Å; S244-Q248 PolarHBondContact O-N 3.34Å
245V87.6Confident88.1Confident62 Ų6272 Ų7238%0.37640%0.399SS..Hα-helixtrans-50.9-39.5177.8176.30000111.6F194 K247 Q248 A249F194-V245 HydrophobicContact CB-CG1 4.31Å; F194-V245 HydrophobicContact CD1-CG1 3.75Å; F194-V245 HydrophobicContact CG-CG1 4.46Å; V245-K247 PolarHBondContact O-N 3.43Å; V245-Q248 PolarHBondContact O-N 3.16Å; V245-A249 VanDerWaalsContact O-CB 3.3Å; V245-A249 WeakPolarHBondContact O-CB 3.38Å; V245-A249 PolarHBondContact O-N 3.34Å
246A88.5Confident88.3Confident73 Ų7368.7 Ų68.760%0.60339%0.387SS*.Hα-helixtrans-62.1-39.9176.100000113.1S244 A249 A250S244-A246 PolarHBondContact O-N 3.44Å; S244-A246 VanDerWaalsContact O-N 3.11Å; A246-A249 PolarHBondContact O-N 2.95Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 2.95Å
247K90.7Very high88.7Confident130 Ų13065.1 Ų65.157%0.56537%0.367SS*.Hα-helixtrans-72-37177.1-177.4174.8-177178.40111.7A243 S244 V245 A251A243-K247 HydrophobicContact CB-CB 4.05Å; A243-K247 HydrophobicContact CB-CD 3.91Å; A243-K247 HydrophobicContact CB-CG 4Å; S244-K247 WeakPolarHBondContact O-CA 3.38Å; S244-K247 WeakPolarHBondContact O-CB 3.4Å; S244-K247 PolarHBondContact O-N 3.12Å; S244-K247 PolarHBondContact OG-N 3.25Å; V245-K247 PolarHBondContact O-N 3.43Å; K247-A251 WeakPolarHBondContact O-CB 3.22Å; K247-A251 PolarHBondContact O-N 2.85Å; K247-A251 VanDerWaalsContact O-N 3.12Å
248Q92.2Very high89.1Confident36 Ų3670.5 Ų70.517%0.16839%0.39CS..Hα-helixtrans-64.2-44.4172.6-55.4-171.520.600110.9L198 P239 A243 S244 V245 A251 F252L198-Q248 HydrophobicContact CD1-CB 3.73Å; P239-Q248 HydrophobicContact CB-CB 3.93Å; P239-Q248 HydrophobicContact CB-CG 3.77Å; P239-Q248 HydrophobicContact CG-CB 4.49Å; P239-Q248 HydrophobicContact CG-CG 4.33Å; A243-Q248 HydrophobicContact CB-CG 3.8Å; A243-Q248 PolarHBondContact O-NE2 3.09Å; S244-Q248 WeakPolarHBondContact O-CG 3.32Å; S244-Q248 PolarHBondContact O-N 3.34Å; V245-Q248 PolarHBondContact O-N 3.16Å; Q248-A251 PolarHBondContact O-N 2.63Å; Q248-F252 WeakPolarHBondContact O-CD2 3.29Å; Q248-F252 PolarHBondContact O-N 3.4Å
249A92.7Very high89.9Confident4 Ų467 Ų673%0.03337%0.368CS..Hα-helixtrans-58.9-48.6176.800000111.7L198 L206 V245 A246 A251 F252 G253L198-A249 HydrophobicContact CD2-CB 3.8Å; L206-A249 HydrophobicContact CD2-CB 3.94Å; V245-A249 VanDerWaalsContact O-CB 3.3Å; V245-A249 WeakPolarHBondContact O-CB 3.38Å; V245-A249 PolarHBondContact O-N 3.34Å; A246-A249 PolarHBondContact O-N 2.95Å; A249-A251 VanDerWaalsContact C-N 3.29Å; A249-A251 PolarHBondContact O-N 3.32Å; A249-F252 PolarHBondContact O-N 3.36Å; A249-G253 PolarHBondContact O-N 3.04Å
250A91.8Very high90.9Very high60 Ų6067 Ų6750%0.49637%0.367SS..Hα-helixtrans-58-41.317600000112.6A246 G253 Q254A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 2.95Å; A250-G253 PolarHBondContact O-N 2.78Å; A250-Q254 PolarHBondContact O-N 2.77Å
251A93.2Very high91.8Very high24 Ų2468 Ų6820%0.19838%0.381CS..Hα-helixtrans-68.8-44.1-179.600000112.5F237 K247 Q248 A249 G253 Q254 A255F237-A251 HydrophobicContact CE1-CB 4.11Å; F237-A251 HydrophobicContact CZ-CB 3.66Å; K247-A251 WeakPolarHBondContact O-CB 3.22Å; K247-A251 PolarHBondContact O-N 2.85Å; K247-A251 VanDerWaalsContact O-N 3.12Å; Q248-A251 PolarHBondContact O-N 2.63Å; A249-A251 VanDerWaalsContact C-N 3.29Å; A249-A251 PolarHBondContact O-N 3.32Å; A251-G253 VanDerWaalsContact C-N 3.31Å; A251-G253 PolarHBondContact O-N 3.46Å; A251-Q254 PolarHBondContact O-N 3.14Å; A251-A255 PolarHBondContact O-N 3.47Å
252F94.4Very high92.9Very high3 Ų358.5 Ų58.51%0.01335%0.352CS..Hα-helixtrans-60.4-42169.8-89.7-76000111.3L198 Y199 L206 W234 F237 P239 Q248 A249 Q254 A255 K256L198-F252 HydrophobicContact CB-CD2 3.88Å; L198-F252 HydrophobicContact CB-CE2 3.99Å; L198-F252 HydrophobicContact CB-CG 4.45Å; L198-F252 HydrophobicContact CD1-CD2 4.17Å; L198-F252 HydrophobicContact CD1-CE2 4.23Å; L198-F252 HydrophobicContact CG-CD2 4.49Å; Y199-F252 HydrophobicContact CD2-CE1 4.45Å; L206-F252 HydrophobicContact CD1-CB 3.86Å; L206-F252 HydrophobicContact CD2-CB 4.15Å; W234-F252 AromaticContact CD1-CE1 3.91Å; W234-F252 HydrophobicContact CG-CD1 4.46Å; W234-F252 HydrophobicContact CG-CE1 4.49Å; F237-F252 AromaticContact CD1-CD1 3.95Å; F237-F252 HydrophobicContact CD1-CD1 3.95Å; F237-F252 HydrophobicContact CD1-CD2 4.18Å; F237-F252 AromaticContact CD1-CE1 3.7Å; F237-F252 HydrophobicContact CD1-CE1 3.7Å; F237-F252 AromaticContact CD1-CE2 3.96Å; F237-F252 HydrophobicContact CD1-CE2 3.96Å; F237-F252 HydrophobicContact CD1-CG 4.18Å; F237-F252 AromaticContact CD1-CZ 3.71Å; F237-F252 HydrophobicContact CD1-CZ 3.71Å; F237-F252 HydrophobicContact CE1-CD1 4.41Å; F237-F252 HydrophobicContact CE1-CD2 4Å; F237-F252 HydrophobicContact CE1-CE1 4.46Å; F237-F252 HydrophobicContact CE1-CE2 4.06Å; F237-F252 HydrophobicContact CE1-CG 4.19Å; F237-F252 HydrophobicContact CE1-CZ 4.29Å; P239-F252 HydrophobicContact CB-CE2 4.38Å; P239-F252 HydrophobicContact CG-CE2 3.95Å; Q248-F252 WeakPolarHBondContact O-CD2 3.29Å; Q248-F252 PolarHBondContact O-N 3.4Å; A249-F252 PolarHBondContact O-N 3.36Å; F252-Q254 VanDerWaalsContact C-N 3.31Å; F252-Q254 PolarHBondContact O-N 3.17Å; F252-A255 PolarHBondContact O-N 3.28Å; F252-K256 WeakPolarHBondContact O-CB 3.29Å; F252-K256 VanDerWaalsContact O-CG 3.26Å; F252-K256 WeakPolarHBondContact O-CG 3.45Å; F252-K256 PolarHBondContact O-N 2.82Å
253G94.9Very high93.6Very high5 Ų551.3 Ų51.35%0.05231%0.314CS..Hα-helixtrans-58.8-42.1179.100000112.1A249 A250 A251 S257A249-G253 PolarHBondContact O-N 3.04Å; A250-G253 PolarHBondContact O-N 2.78Å; A251-G253 VanDerWaalsContact C-N 3.31Å; A251-G253 PolarHBondContact O-N 3.46Å; G253-S257 VanDerWaalsContact O-CB 3.31Å; G253-S257 WeakPolarHBondContact O-CB 3.47Å; G253-S257 PolarHBondContact O-N 3.47Å; G253-S257 PolarHBondContact O-OG 3.35Å
254Q94.8Very high94.2Very high150 Ų15054.6 Ų54.670%0.70133%0.333SS*.Hα-helixtrans-66.5-46.8175.2-171.7179.315.500112.2A250 A251 F252 K256 S257 K258A250-Q254 PolarHBondContact O-N 2.77Å; A251-Q254 PolarHBondContact O-N 3.14Å; F252-Q254 VanDerWaalsContact C-N 3.31Å; F252-Q254 PolarHBondContact O-N 3.17Å; Q254-K256 VanDerWaalsContact C-N 3.34Å; Q254-K256 PolarHBondContact O-N 2.98Å; Q254-S257 PolarHBondContact O-N 2.87Å; Q254-K258 PolarHBondContact O-N 3.42Å
255A95Very high94.5Very high30 Ų3054.8 Ų54.825%0.24833%0.334CS..Hα-helixtrans-60.3-44.1178.400000111.8W234 A251 F252 K258 A259W234-A255 HydrophobicContact CB-CB 4.38Å; A251-A255 PolarHBondContact O-N 3.47Å; F252-A255 PolarHBondContact O-N 3.28Å; A255-K258 PolarHBondContact O-N 2.91Å; A255-A259 WeakPolarHBondContact O-CB 3.45Å; A255-A259 PolarHBondContact O-N 2.87Å
256K96.7Very high95Very high0 Ų052.3 Ų52.30%032%0.318CS..Hα-helixtrans-66.2-44.5176.7-68.7-171.8-172.6-174.80112L198 Y199 A201 V203 L206 F222 W234 F252 Q254 K258 A259 L260L198-K256 PolarHBondContact O-NZ 3.48Å; Y199-K256 VanDerWaalsContact C-NZ 3.29Å; Y199-K256 WeakPolarHBondContact O-CE 3.3Å; Y199-K256 PolarHBondContact O-NZ 3.49Å; A201-K256 WeakPolarHBondContact O-CD 3.35Å; A201-K256 PolarHBondContact O-NZ 3.22Å; V203-K256 HydrophobicContact CG2-CB 3.63Å; L206-K256 HydrophobicContact CD1-CD 3.62Å; F222-K256 HydrophobicContact CE2-CD 4.25Å; W234-K256 HydrophobicContact CD2-CD 4.38Å; W234-K256 HydrophobicContact CD2-CG 3.67Å; W234-K256 VanDerWaalsContact CE2-CE 3.4Å; W234-K256 HydrophobicContact CE3-CB 4.31Å; W234-K256 HydrophobicContact CE3-CG 3.6Å; W234-K256 HydrophobicContact CG-CG 4.4Å; W234-K256 HydrophobicContact CH2-CB 4.37Å; W234-K256 HydrophobicContact CH2-CD 4.08Å; W234-K256 HydrophobicContact CH2-CG 3.74Å; W234-K256 HydrophobicContact CZ2-CD 3.84Å; W234-K256 HydrophobicContact CZ2-CG 3.82Å; W234-K256 HydrophobicContact CZ3-CB 4.08Å; W234-K256 HydrophobicContact CZ3-CD 4.47Å; W234-K256 HydrophobicContact CZ3-CG 3.64Å; F252-K256 WeakPolarHBondContact O-CB 3.29Å; F252-K256 VanDerWaalsContact O-CG 3.26Å; F252-K256 WeakPolarHBondContact O-CG 3.45Å; F252-K256 PolarHBondContact O-N 2.82Å; Q254-K256 VanDerWaalsContact C-N 3.34Å; Q254-K256 PolarHBondContact O-N 2.98Å; K256-K258 VanDerWaalsContact C-N 3.29Å; K256-K258 PolarHBondContact O-N 3.42Å; K256-A259 PolarHBondContact O-N 3.12Å; K256-L260 WeakPolarHBondContact O-CB 3.34Å; K256-L260 VanDerWaalsContact O-CG 3.29Å; K256-L260 WeakPolarHBondContact O-CG 3.43Å; K256-L260 PolarHBondContact O-N 2.95Å
257S96.9Very high95.4Very high49 Ų4949.1 Ų49.134%0.34329%0.291SS..Hα-helixtrans-59.1-41.6177-59.20000111.7V203 G253 Q254 L260 A261V203-S257 VanDerWaalsContact CG1-OG 3.27Å; V203-S257 WeakPolarHBondContact CG1-OG 3.27Å; G253-S257 VanDerWaalsContact O-CB 3.31Å; G253-S257 WeakPolarHBondContact O-CB 3.47Å; G253-S257 PolarHBondContact O-N 3.47Å; G253-S257 PolarHBondContact O-OG 3.35Å; Q254-S257 PolarHBondContact O-N 2.87Å; S257-L260 PolarHBondContact O-N 3.18Å; S257-A261 PolarHBondContact O-N 3.03Å; S257-A261 VanDerWaalsContact O-N 3.12Å
258K96.4Very high95.7Very high178 Ų17850.9 Ų50.977%0.77430%0.301SS*.Hα-helixtrans-64.6-44.8175.9-177.7179.7177.1-177.20111.7Q254 A255 K256 L260 A261Q254-K258 PolarHBondContact O-N 3.42Å; A255-K258 PolarHBondContact O-N 2.91Å; K256-K258 VanDerWaalsContact C-N 3.29Å; K256-K258 PolarHBondContact O-N 3.42Å; K258-L260 VanDerWaalsContact C-N 3.32Å; K258-L260 PolarHBondContact O-N 3.29Å; K258-A261 WeakPolarHBondContact O-CB 3.48Å; K258-A261 PolarHBondContact O-N 3.06Å
259A96.3Very high95.8Very high20 Ų2052.4 Ų52.417%0.16533%0.327CS..Hα-helixtrans-64.6-36.6179.300000112.4P233 W234 A255 K256 F266P233-A259 HydrophobicContact CB-CB 3.94Å; P233-A259 HydrophobicContact CG-CB 4.01Å; W234-A259 HydrophobicContact CE3-CB 4.03Å; W234-A259 HydrophobicContact CZ3-CB 3.78Å; A255-A259 WeakPolarHBondContact O-CB 3.45Å; A255-A259 PolarHBondContact O-N 2.87Å; K256-A259 PolarHBondContact O-N 3.12Å; A259-F266 HydrophobicContact CB-CD2 4.31Å
260L97.2Very high96.1Very high15 Ų1553.3 Ų53.38%0.07933%0.333CS..Hα-helixtrans-88-0.1-178.3-63.1171.8000113.9V203 W218 F222 K256 S257 K258 S262 I263 F266V203-L260 HydrophobicContact CG2-CD1 3.97Å; W218-L260 HydrophobicContact CH2-CD1 4.28Å; W218-L260 HydrophobicContact CH2-CD2 4.31Å; W218-L260 HydrophobicContact CZ3-CD1 4.1Å; W218-L260 HydrophobicContact CZ3-CD2 3.96Å; F222-L260 HydrophobicContact CE1-CD1 4.05Å; F222-L260 HydrophobicContact CE1-CD2 4.14Å; F222-L260 HydrophobicContact CZ-CD1 3.91Å; K256-L260 WeakPolarHBondContact O-CB 3.34Å; K256-L260 VanDerWaalsContact O-CG 3.29Å; K256-L260 WeakPolarHBondContact O-CG 3.43Å; K256-L260 PolarHBondContact O-N 2.95Å; S257-L260 PolarHBondContact O-N 3.18Å; K258-L260 VanDerWaalsContact C-N 3.32Å; K258-L260 PolarHBondContact O-N 3.29Å; L260-S262 PolarHBondContact O-N 3.45Å; L260-S262 VanDerWaalsContact O-N 3.17Å; L260-I263 HydrophobicContact CB-CD1 4.26Å; L260-I263 HydrophobicContact CD2-CD1 3.81Å; L260-F266 HydrophobicContact CD2-CB 4.37Å; L260-F266 HydrophobicContact CD2-CD1 4.07Å; L260-F266 HydrophobicContact CD2-CD2 3.88Å; L260-F266 HydrophobicContact CD2-CE1 4.34Å; L260-F266 HydrophobicContact CD2-CE2 4.18Å; L260-F266 HydrophobicContact CD2-CG 3.83Å; L260-F266 HydrophobicContact CD2-CZ 4.41Å
261A96.8Very high96.4Very high89 Ų8951.1 Ų51.174%0.73631%0.314SS*.THydrogen-bonded Turntrans-59.6-25.1173.700000112.5S257 K258S257-A261 PolarHBondContact O-N 3.03Å; S257-A261 VanDerWaalsContact O-N 3.12Å; K258-A261 WeakPolarHBondContact O-CB 3.48Å; K258-A261 PolarHBondContact O-N 3.06Å
262S97.2Very high96.6Very high47 Ų4753.1 Ų53.133%0.32933%0.33SS..  trans-133103.4168.7170.20000108.3L260 T264 S265 F266L260-S262 PolarHBondContact O-N 3.45Å; L260-S262 VanDerWaalsContact O-N 3.17Å; S262-T264 PolarHBondContact O-N 3.01Å; S262-S265 WeakPolarHBondContact CB-OG 3.42Å; S262-S265 PolarHBondContact O-N 3.07Å; S262-S265 VanDerWaalsContact O-N 3.15Å; S262-S265 WeakPolarHBondContact OG-CB 3.11Å; S262-S265 PolarHBondContact OG-N 3.27Å; S262-S265 VanDerWaalsContact OG-N 3.1Å; S262-S265 PolarHBondContact OG-OG 2.83Å; S262-F266 PolarHBondContact O-N 3.35Å
263I97.7Very high96.7Very high13 Ų1354 Ų547%0.06734%0.335CS..Hα-helixtrans-58.7-39.1175.9-60.5-59.7000110.1W218 L260 S265 F266 C267 I275 E279W218-I263 HydrophobicContact CH2-CD1 4.04Å; L260-I263 HydrophobicContact CB-CD1 4.26Å; L260-I263 HydrophobicContact CD2-CD1 3.81Å; I263-S265 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.39Å; I263-F266 WeakPolarHBondContact O-CB 3.22Å; I263-F266 PolarHBondContact O-N 3.39Å; I263-C267 WeakPolarHBondContact O-CB 3.28Å; I263-C267 PolarHBondContact O-N 3.11Å; I263-C267 PolarHBondContact O-SG 3.38Å; I263-I275 HydrophobicContact CG2-CG2 4.15Å; I263-E279 HydrophobicContact CB-CG 4.36Å; I263-E279 HydrophobicContact CG1-CG 4.47Å; I263-E279 HydrophobicContact CG2-CG 4.42Å
264T97.4Very high96.9Very high83 Ų8353.8 Ų53.851%0.50933%0.332SS..Hα-helixtrans-55.2-47.1174.4-50.30000112.4S262 C267 I275S262-T264 PolarHBondContact O-N 3.01Å; T264-C267 PolarHBondContact O-N 3.43Å; T264-I275 HydrophobicContact CG2-CD1 4Å
265S96.9Very high97.1Very high79 Ų7948.2 Ų48.255%0.55231%0.307SS*.Hα-helixtrans-70.5-35178.6-56.70000112S262 I263 C267 E268S262-S265 WeakPolarHBondContact CB-OG 3.42Å; S262-S265 PolarHBondContact O-N 3.07Å; S262-S265 VanDerWaalsContact O-N 3.15Å; S262-S265 WeakPolarHBondContact OG-CB 3.11Å; S262-S265 PolarHBondContact OG-N 3.27Å; S262-S265 VanDerWaalsContact OG-N 3.1Å; S262-S265 PolarHBondContact OG-OG 2.83Å; I263-S265 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.39Å; S265-C267 VanDerWaalsContact C-N 3.26Å; S265-C267 PolarHBondContact O-N 3.37Å; S265-E268 WeakPolarHBondContact O-CB 3.36Å; S265-E268 PolarHBondContact O-N 3.42Å
266F97.6Very high97.3Very high10 Ų1051 Ų514%0.04432%0.316CS..Hα-helixtrans-61.4-36.2173.5176.3-97.7000112.2Y221 F222 V225 V232 P233 W234 A259 L260 S262 I263 E268Y221-F266 HydrophobicContact CD1-CE1 4.08Å; Y221-F266 AromaticContact CE1-CD1 3.83Å; Y221-F266 HydrophobicContact CE1-CD1 3.83Å; Y221-F266 AromaticContact CE1-CE1 3.39Å; Y221-F266 HydrophobicContact CE1-CE1 3.39Å; Y221-F266 HydrophobicContact CE1-CZ 4.44Å; F222-F266 HydrophobicContact CD1-CE1 4.32Å; F222-F266 HydrophobicContact CD1-CE2 4.48Å; F222-F266 AromaticContact CD1-CZ 3.7Å; F222-F266 HydrophobicContact CD1-CZ 3.7Å; F222-F266 HydrophobicContact CE1-CZ 4.11Å; V225-F266 HydrophobicContact CB-CE1 4.24Å; V225-F266 HydrophobicContact CB-CZ 4.42Å; V225-F266 HydrophobicContact CG1-CE1 4.18Å; V225-F266 HydrophobicContact CG1-CZ 4.22Å; V225-F266 HydrophobicContact CG2-CE1 3.79Å; V225-F266 HydrophobicContact CG2-CZ 4.44Å; V232-F266 HydrophobicContact CG1-CZ 4.27Å; P233-F266 VanDerWaalsContact CD-CE2 3.46Å; P233-F266 HydrophobicContact CG-CD2 3.81Å; P233-F266 HydrophobicContact CG-CE2 4.07Å; W234-F266 AromaticContact CH2-CE2 3.56Å; W234-F266 HydrophobicContact CH2-CE2 3.56Å; W234-F266 HydrophobicContact CH2-CZ 4.09Å; W234-F266 HydrophobicContact CZ3-CD2 4.28Å; W234-F266 AromaticContact CZ3-CE2 3.64Å; W234-F266 HydrophobicContact CZ3-CE2 3.64Å; A259-F266 HydrophobicContact CB-CD2 4.31Å; L260-F266 HydrophobicContact CD2-CB 4.37Å; L260-F266 HydrophobicContact CD2-CD1 4.07Å; L260-F266 HydrophobicContact CD2-CD2 3.88Å; L260-F266 HydrophobicContact CD2-CE1 4.34Å; L260-F266 HydrophobicContact CD2-CE2 4.18Å; L260-F266 HydrophobicContact CD2-CG 3.83Å; L260-F266 HydrophobicContact CD2-CZ 4.41Å; S262-F266 PolarHBondContact O-N 3.35Å; I263-F266 WeakPolarHBondContact O-CB 3.22Å; I263-F266 PolarHBondContact O-N 3.39Å; F266-E268 VanDerWaalsContact C-N 3.26Å; F266-E268 PolarHBondContact O-N 3.11Å
267C97.2Very high97.4Very high7 Ų751 Ų515%0.04732%0.316CS..THydrogen-bonded Turntrans-82.613.9179.2-65.30000114.6Y221 I263 T264 S265 G269 C270 I275Y221-C267 PolarHBondContact OH-SG 3.49Å; I263-C267 WeakPolarHBondContact O-CB 3.28Å; I263-C267 PolarHBondContact O-N 3.11Å; I263-C267 PolarHBondContact O-SG 3.38Å; T264-C267 PolarHBondContact O-N 3.43Å; S265-C267 VanDerWaalsContact C-N 3.26Å; S265-C267 PolarHBondContact O-N 3.37Å; C267-G269 PolarHBondContact O-N 2.63Å; C267-C270 HydrophobicContact CB-CB 4.24Å; C267-C270 VanDerWaalsContact O-CB 3.25Å; C267-C270 WeakPolarHBondContact O-CB 3.4Å; C267-C270 PolarHBondContact O-N 2.89Å; C267-I275 HydrophobicContact CB-CD1 4.43Å; C267-I275 HydrophobicContact CB-CG1 3.66Å
268E95.8Very high97.4Very high166 Ų16648.7 Ų48.778%0.77630%0.299SS*.THydrogen-bonded Turntrans-55.8126.9179.2-171176.2-173.500111.1S265 F266 C270S265-E268 WeakPolarHBondContact O-CB 3.36Å; S265-E268 PolarHBondContact O-N 3.42Å; F266-E268 VanDerWaalsContact C-N 3.26Å; F266-E268 PolarHBondContact O-N 3.11Å; E268-C270 VanDerWaalsContact C-N 3.3Å; E268-C270 PolarHBondContact O-N 3.33Å
269G95.8Very high97.5Very high69 Ų6944.4 Ų44.471%0.71128%0.282SS*.THydrogen-bonded Turntrans82.6-6.7-175.100000115.6V229 C267V229-G269 WeakPolarHBondContact CG1-O 3.49Å; C267-G269 PolarHBondContact O-N 2.63Å
270C97.8Very high97.6Very high22 Ų2244.6 Ų44.615%0.14928%0.28CS..SBendtrans-87.5162.2174.9-61.50000112.1V229 C267 E268 F274V229-C270 VanDerWaalsContact CG1-SG 3.53Å; C267-C270 HydrophobicContact CB-CB 4.24Å; C267-C270 VanDerWaalsContact O-CB 3.25Å; C267-C270 WeakPolarHBondContact O-CB 3.4Å; C267-C270 PolarHBondContact O-N 2.89Å; E268-C270 VanDerWaalsContact C-N 3.3Å; E268-C270 PolarHBondContact O-N 3.33Å; C270-F274 HydrophobicContact CB-CB 4.29Å; C270-F274 HydrophobicContact CB-CD2 3.6Å; C270-F274 HydrophobicContact CB-CE2 4.22Å; C270-F274 HydrophobicContact CB-CG 4.2Å
271P98Very high97.7Very high15 Ų1544 Ų4410%0.09728%0.276CS..  trans-55141.8163.5-22.834000111.7L124 E273 F274 I302L124-P271 HydrophobicContact CD1-CG 3.83Å; L124-P271 HydrophobicContact CD2-CG 4.28Å; P271-E273 VanDerWaalsContact CB-OE2 3.24Å; P271-E273 WeakPolarHBondContact CB-OE2 3.38Å; P271-E273 PolarHBondContact O-N 3.17Å; P271-E273 VanDerWaalsContact O-N 3.16Å; P271-F274 HydrophobicContact CB-CD1 4.44Å; P271-F274 HydrophobicContact CG-CE1 4.29Å; P271-F274 HydrophobicContact CG-CZ 4.38Å; P271-F274 WeakPolarHBondContact O-CB 3.29Å; P271-F274 PolarHBondContact O-N 2.85Å; P271-I302 HydrophobicContact CB-CD1 3.64Å; P271-I302 HydrophobicContact CB-CG1 3.88Å; P271-I302 HydrophobicContact CB-CG2 4.41Å; P271-I302 HydrophobicContact CG-CD1 3.95Å; P271-I302 HydrophobicContact CG-CG1 4.46Å; P271-I302 HydrophobicContact CG-CG2 4.33Å
272A97.1Very high97.7Very high66 Ų6644.5 Ų44.555%0.54527%0.267SS..THydrogen-bonded Turntrans-60.3-28.7-176.600000112.7F274 I275A272-F274 PolarHBondContact O-N 2.85Å; A272-I275 VanDerWaalsContact O-CB 3.29Å; A272-I275 WeakPolarHBondContact O-CB 3.41Å; A272-I275 PolarHBondContact O-N 3.24Å
273E98.3Very high97.7Very high22 Ų2248.3 Ų48.310%0.10328%0.282CS..Hα-helixtrans-60.5-24.1177.5-59.789158.400112.5P271 I275 M276 I277 Q298 A301 I302 R305P271-E273 VanDerWaalsContact CB-OE2 3.24Å; P271-E273 WeakPolarHBondContact CB-OE2 3.38Å; P271-E273 PolarHBondContact O-N 3.17Å; P271-E273 VanDerWaalsContact O-N 3.16Å; E273-I275 VanDerWaalsContact C-N 3.27Å; E273-I275 PolarHBondContact O-N 3.42Å; E273-M276 PolarHBondContact O-N 3.15Å; E273-I277 PolarHBondContact O-N 2.7Å; E273-Q298 HydrophobicContact CB-CB 4.05Å; E273-A301 HydrophobicContact CG-CB 4.31Å; E273-I302 HydrophobicContact CB-CD1 3.95Å; E273-I302 HydrophobicContact CB-CG1 3.81Å; E273-I302 HydrophobicContact CG-CD1 4.46Å; E273-I302 HydrophobicContact CG-CG1 3.76Å; E273-I302 WeakPolarHBondContact OE2-CG1 3.36Å; E273-R305 IonicContact OE1-CZ 3.86Å; E273-R305 IonicContact OE1-NE 3.93Å; E273-R305 PolarHBondContact OE1-NE 3.32Å; E273-R305 IonicContact OE1-NH2 3.75Å; E273-R305 PolarHBondContact OE1-NH2 3.48Å; E273-R305 IonicContact OE2-CZ 2.87Å; E273-R305 IonicContact OE2-NH2 3.2Å; E273-R305 PolarHBondContact OE2-NH2 3.38Å
274F98.4Very high97.8Very high0 Ų048.7 Ų48.70%028%0.284CS..Hα-helixtrans-67.6-29.1174.9-7414.7000112.2Y221 L224 V225 T228 C270 P271 A272 M276 I277 G278 L299 I302Y221-F274 HydrophobicContact CE2-CB 4.26Å; Y221-F274 WeakPolarHBondContact CE2-O 3.43Å; Y221-F274 PolarHBondContact OH-O 3.13Å; Y221-F274 VanDerWaalsContact OH-O 3.07Å; L224-F274 HydrophobicContact CD1-CE1 4.25Å; L224-F274 HydrophobicContact CD1-CE2 3.87Å; L224-F274 HydrophobicContact CD1-CZ 3.44Å; L224-F274 VanDerWaalsContact CD1-CZ 3.44Å; L224-F274 HydrophobicContact CD2-CD1 4.28Å; L224-F274 HydrophobicContact CD2-CD2 4.42Å; L224-F274 HydrophobicContact CD2-CE1 3.84Å; L224-F274 HydrophobicContact CD2-CE2 4.01Å; L224-F274 HydrophobicContact CD2-CZ 3.71Å; L224-F274 HydrophobicContact CG-CD2 4.26Å; L224-F274 HydrophobicContact CG-CE1 4.17Å; L224-F274 HydrophobicContact CG-CE2 3.54Å; L224-F274 HydrophobicContact CG-CZ 3.49Å; L224-F274 VanDerWaalsContact CG-CZ 3.49Å; V225-F274 HydrophobicContact CG2-CD2 4.06Å; T228-F274 HydrophobicContact CG2-CE2 4.2Å; C270-F274 HydrophobicContact CB-CB 4.29Å; C270-F274 HydrophobicContact CB-CD2 3.6Å; C270-F274 HydrophobicContact CB-CE2 4.22Å; C270-F274 HydrophobicContact CB-CG 4.2Å; P271-F274 HydrophobicContact CB-CD1 4.44Å; P271-F274 HydrophobicContact CG-CE1 4.29Å; P271-F274 HydrophobicContact CG-CZ 4.38Å; P271-F274 WeakPolarHBondContact O-CB 3.29Å; P271-F274 PolarHBondContact O-N 2.85Å; A272-F274 PolarHBondContact O-N 2.85Å; F274-M276 VanDerWaalsContact C-N 3.31Å; F274-M276 PolarHBondContact O-N 2.88Å; F274-I277 HydrophobicContact CD1-CD1 4.5Å; F274-I277 WeakPolarHBondContact O-CB 3.24Å; F274-I277 PolarHBondContact O-N 3.46Å; F274-G278 PolarHBondContact O-N 3.42Å; F274-L299 HydrophobicContact CE1-CD2 4.09Å; F274-I302 HydrophobicContact CD1-CD1 3.91Å; F274-I302 HydrophobicContact CE1-CD1 3.53Å
275I98.6Very high97.8Very high32 Ų3248.1 Ų48.116%0.16428%0.281CS..Hα-helixtrans-61.4-45.4177.1-61168.7000109.5I263 T264 C267 A272 E273 I277 G278 E279I263-I275 HydrophobicContact CG2-CG2 4.15Å; T264-I275 HydrophobicContact CG2-CD1 4Å; C267-I275 HydrophobicContact CB-CD1 4.43Å; C267-I275 HydrophobicContact CB-CG1 3.66Å; A272-I275 VanDerWaalsContact O-CB 3.29Å; A272-I275 WeakPolarHBondContact O-CB 3.41Å; A272-I275 PolarHBondContact O-N 3.24Å; E273-I275 VanDerWaalsContact C-N 3.27Å; E273-I275 PolarHBondContact O-N 3.42Å; I275-I277 VanDerWaalsContact C-N 3.29Å; I275-I277 PolarHBondContact O-N 3.36Å; I275-G278 PolarHBondContact O-N 3.02Å; I275-G278 VanDerWaalsContact O-N 3.12Å; I275-E279 HydrophobicContact CG2-CG 4.2Å; I275-E279 WeakPolarHBondContact O-CB 3.29Å; I275-E279 WeakPolarHBondContact O-CG 3.27Å; I275-E279 PolarHBondContact O-N 3.07Å
276M98.3Very high97.8Very high89 Ų8946 Ų4644%0.43826%0.261SS..Hα-helixtrans-60.8-38.8178.9-58-55.8-58.500112.1E273 F274 H280 Q298E273-M276 PolarHBondContact O-N 3.15Å; F274-M276 VanDerWaalsContact C-N 3.31Å; F274-M276 PolarHBondContact O-N 2.88Å; M276-H280 WeakPolarHBondContact O-CB 3.5Å; M276-H280 PolarHBondContact O-N 3.28Å; M276-H280 VanDerWaalsContact O-N 3.09Å; M276-Q298 HydrophobicContact CB-CG 4.02Å
277I98.7Very high97.8Very high0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-63.3-50.7173.9-61.7176.8000109.8W220 Y221 E273 F274 I275 E279 H280 L281 Q298 L299W220-I277 HydrophobicContact CH2-CD1 4.31Å; W220-I277 HydrophobicContact CZ3-CG2 3.91Å; Y221-I277 HydrophobicContact CD2-CB 4.39Å; Y221-I277 HydrophobicContact CD2-CG2 3.76Å; Y221-I277 HydrophobicContact CE2-CB 4.19Å; Y221-I277 HydrophobicContact CE2-CG2 4.05Å; E273-I277 PolarHBondContact O-N 2.7Å; F274-I277 HydrophobicContact CD1-CD1 4.5Å; F274-I277 WeakPolarHBondContact O-CB 3.24Å; F274-I277 PolarHBondContact O-N 3.46Å; I275-I277 VanDerWaalsContact C-N 3.29Å; I275-I277 PolarHBondContact O-N 3.36Å; I277-E279 PolarHBondContact O-N 3.19Å; I277-H280 WeakPolarHBondContact O-CB 3.35Å; I277-H280 PolarHBondContact O-N 3.04Å; I277-L281 HydrophobicContact CG2-CD1 4.41Å; I277-L281 WeakPolarHBondContact O-CG 3.47Å; I277-L281 PolarHBondContact O-N 3.4Å; I277-Q298 HydrophobicContact CD1-CB 3.85Å; I277-Q298 HydrophobicContact CD1-CG 4.49Å; I277-Q298 HydrophobicContact CG1-CB 3.77Å; I277-Q298 HydrophobicContact CG1-CG 3.86Å; I277-L299 HydrophobicContact CD1-CD2 4.4Å
278G98.5Very high97.8Very high0 Ų054.4 Ų54.40%030%0.297CS..Hα-helixtrans-62-40-17900000113.3F274 I275 L281 N282F274-G278 PolarHBondContact O-N 3.42Å; I275-G278 PolarHBondContact O-N 3.02Å; I275-G278 VanDerWaalsContact O-N 3.12Å; G278-L281 PolarHBondContact O-N 2.98Å; G278-N282 WeakPolarHBondContact O-CB 3.13Å; G278-N282 PolarHBondContact O-N 2.72Å
279E98.3Very high97.9Very high89 Ų8952.8 Ų52.842%0.41629%0.289SS..Hα-helixtrans-63.9-42.8175.3-73.8178.616700112I263 I275 I277 N282 I283I263-E279 HydrophobicContact CB-CG 4.36Å; I263-E279 HydrophobicContact CG1-CG 4.47Å; I263-E279 HydrophobicContact CG2-CG 4.42Å; I275-E279 HydrophobicContact CG2-CG 4.2Å; I275-E279 WeakPolarHBondContact O-CB 3.29Å; I275-E279 WeakPolarHBondContact O-CG 3.27Å; I275-E279 PolarHBondContact O-N 3.07Å; I277-E279 PolarHBondContact O-N 3.19Å; E279-N282 WeakPolarHBondContact O-CB 2.91Å; E279-N282 PolarHBondContact O-N 3.42Å; E279-I283 PolarHBondContact O-N 2.92Å
280H98.6Very high98Very high24 Ų2449.7 Ų49.711%0.11126%0.256CS..Hα-helixtrans-58.8-47.3173169.163.3000111.4M276 I277 N282 I283 L284 N291 L294M276-H280 WeakPolarHBondContact O-CB 3.5Å; M276-H280 PolarHBondContact O-N 3.28Å; M276-H280 VanDerWaalsContact O-N 3.09Å; I277-H280 WeakPolarHBondContact O-CB 3.35Å; I277-H280 PolarHBondContact O-N 3.04Å; H280-N282 PolarHBondContact O-N 3.15Å; H280-I283 WeakPolarHBondContact O-CG1 3.4Å; H280-I283 PolarHBondContact O-N 3.29Å; H280-L284 WeakPolarHBondContact O-CG 3.4Å; H280-N291 PolarHBondContact CE1-N 3.42Å; H280-N291 PolarHBondContact NE2-N 2.75Å; H280-L294 HydrophobicContact CB-CD1 4.24Å; H280-L294 HydrophobicContact CB-CD2 4Å
281L98.5Very high98.1Very high1 Ų152.3 Ų52.31%0.00527%0.269CS..Hα-helixtrans-63.6-28.9178.5-62.8-176.7000113.3L217 W218 Y221 I277 G278 I283 L284L217-L281 HydrophobicContact CB-CD1 4.3Å; L217-L281 HydrophobicContact CB-CD2 3.68Å; L217-L281 HydrophobicContact CD2-CD2 3.84Å; L217-L281 HydrophobicContact CG-CD2 4.42Å; W218-L281 HydrophobicContact CD2-CB 4Å; W218-L281 HydrophobicContact CD2-CD1 4.1Å; W218-L281 HydrophobicContact CE3-CB 4.4Å; W218-L281 HydrophobicContact CE3-CD1 4.1Å; W218-L281 HydrophobicContact CG-CD1 4.46Å; W218-L281 HydrophobicContact CH2-CB 4.02Å; W218-L281 HydrophobicContact CZ2-CB 3.59Å; W218-L281 HydrophobicContact CZ3-CB 4.41Å; W218-L281 HydrophobicContact CZ3-CD1 4.49Å; W218-L281 PolarHBondContact NE1-O 3.38Å; Y221-L281 HydrophobicContact CG-CD1 4.07Å; I277-L281 HydrophobicContact CG2-CD1 4.41Å; I277-L281 WeakPolarHBondContact O-CG 3.47Å; I277-L281 PolarHBondContact O-N 3.4Å; G278-L281 PolarHBondContact O-N 2.98Å; L281-I283 VanDerWaalsContact C-N 3.33Å; L281-I283 PolarHBondContact O-N 2.7Å; L281-L284 HydrophobicContact CD2-CD1 4.03Å; L281-L284 PolarHBondContact O-N 3.17Å
282N97.3Very high98.1Very high101 Ų10152 Ų5254%0.5427%0.266SS..Hα-helixtrans-73-21.9-177.3-165.355.9000114.1W218 G278 E279 H280W218-N282 HydrophobicContact CH2-CB 4.44Å; W218-N282 HydrophobicContact CZ2-CB 4.1Å; G278-N282 WeakPolarHBondContact O-CB 3.13Å; G278-N282 PolarHBondContact O-N 2.72Å; E279-N282 WeakPolarHBondContact O-CB 2.91Å; E279-N282 PolarHBondContact O-N 3.42Å; H280-N282 PolarHBondContact O-N 3.15Å
283I97.5Very high98.2Very high127 Ų12754 Ų5465%0.65126%0.264SS*.Hα-helixtrans-93.2-11.5178.363.8162.6000113.5E279 H280 L281E279-I283 PolarHBondContact O-N 2.92Å; H280-I283 WeakPolarHBondContact O-CG1 3.4Å; H280-I283 PolarHBondContact O-N 3.29Å; L281-I283 VanDerWaalsContact C-N 3.33Å; L281-I283 PolarHBondContact O-N 2.7Å
284L98.4Very high98.2Very high21 Ų2155 Ų5511%0.1127%0.27CS..  trans-73.6140.9-176.2-63.6176.5000112K214 H280 L281 D288 P290K214-L284 HydrophobicContact CB-CB 3.88Å; K214-L284 HydrophobicContact CB-CD1 3.88Å; K214-L284 HydrophobicContact CD-CB 3.82Å; K214-L284 WeakPolarHBondContact CD-O 3.43Å; K214-L284 WeakPolarHBondContact CE-O 3.49Å; K214-L284 HydrophobicContact CG-CB 4.47Å; H280-L284 WeakPolarHBondContact O-CG 3.4Å; L281-L284 HydrophobicContact CD2-CD1 4.03Å; L281-L284 PolarHBondContact O-N 3.17Å; L284-D288 HydrophobicContact CB-CB 4.47Å; L284-D288 HydrophobicContact CD2-CB 3.73Å; L284-P290 HydrophobicContact CD1-CB 3.89Å; L284-P290 HydrophobicContact CD1-CG 4.06Å
285T97.4Very high98.2Very high70 Ų7055 Ų5543%0.42927%0.27SS..  trans-104.3-179.1173.274.90000111.4Y287 D288T285-Y287 PolarHBondContact O-N 2.87Å; T285-Y287 PolarHBondContact OG1-N 3.1Å; T285-D288 WeakPolarHBondContact CA-OD2 3.47Å; T285-D288 VanDerWaalsContact CB-OD2 3.27Å; T285-D288 WeakPolarHBondContact CB-OD2 3.32Å; T285-D288 WeakPolarHBondContact CG2-OD2 3.48Å; T285-D288 PolarHBondContact N-OD2 2.95Å; T285-D288 PolarHBondContact O-N 3.38Å; T285-D288 PolarHBondContact OG1-OD2 3.2Å
286Y97.3Very high98.2Very high35 Ų3554.6 Ų54.614%0.13727%0.266CS..SBendtrans-55.5-36.1174.9178.3-95.2000113.5R186 P188 E210 Q211 A212R186-Y286 WeakPolarHBondContact O-CE1 3.49Å; R186-Y286 PolarHBondContact O-OH 3.12Å; R186-Y286 VanDerWaalsContact O-OH 3.09Å; P188-Y286 HydrophobicContact CB-CD1 4.23Å; P188-Y286 HydrophobicContact CB-CD2 4.14Å; P188-Y286 HydrophobicContact CB-CE1 4.07Å; P188-Y286 HydrophobicContact CB-CE2 4.02Å; P188-Y286 HydrophobicContact CB-CG 4.26Å; P188-Y286 HydrophobicContact CG-CD1 4.13Å; P188-Y286 HydrophobicContact CG-CE1 4.16Å; P188-Y286 HydrophobicContact CG-CG 4.48Å; E210-Y286 HydrophobicContact CB-CD2 4.28Å; E210-Y286 HydrophobicContact CB-CE2 3.9Å; E210-Y286 HydrophobicContact CG-CD2 4.32Å; E210-Y286 HydrophobicContact CG-CE2 3.47Å; E210-Y286 VanDerWaalsContact CG-CE2 3.47Å; Q211-Y286 WeakPolarHBondContact O-CE2 3.41Å; A212-Y286 HydrophobicContact CB-CD2 3.69Å; A212-Y286 HydrophobicContact CB-CE2 4.12Å; A212-Y286 HydrophobicContact CB-CG 4.3Å; A212-Y286 WeakPolarHBondContact CB-O 3.45Å
287Y97.5Very high98.2Very high129 Ų12954 Ų5451%0.50627%0.265SS..SBendtrans-89.7-17.5-171.5-63.8-74.5000113.3L185 P188 R213 T285L185-Y287 HydrophobicContact CD1-CD1 4.02Å; P188-Y287 VanDerWaalsContact CD-OH 3.24Å; P188-Y287 WeakPolarHBondContact CD-OH 3.43Å; R213-Y287 PolarHBondContact NH2-O 3.35Å; R213-Y287 VanDerWaalsContact NH2-O 3.12Å; T285-Y287 PolarHBondContact O-N 2.87Å; T285-Y287 PolarHBondContact OG1-N 3.1Å
288D97.7Very high98.2Very high64 Ų6456 Ų5634%0.34227%0.274SS..PPolyproline II helixtrans-72.5148.1-173.3-61.9-47.1000112.1R213 L284 T285R213-D288 PolarHBondContact NE-O 3.18Å; R213-D288 PolarHBondContact NH2-O 3.22Å; L284-D288 HydrophobicContact CB-CB 4.47Å; L284-D288 HydrophobicContact CD2-CB 3.73Å; T285-D288 WeakPolarHBondContact CA-OD2 3.47Å; T285-D288 VanDerWaalsContact CB-OD2 3.27Å; T285-D288 WeakPolarHBondContact CB-OD2 3.32Å; T285-D288 WeakPolarHBondContact CG2-OD2 3.48Å; T285-D288 PolarHBondContact N-OD2 2.95Å; T285-D288 PolarHBondContact O-N 3.38Å; T285-D288 PolarHBondContact OG1-OD2 3.2Å
289E97.8Very high98.2Very high133 Ų13356 Ų5662%0.62127%0.274SS*.PPolyproline II helixtrans-90.7123.6166.4-174.4164.7167.900108.6R213 N291 Y292R213-E289 IonicContact NH1-OE2 3.94Å; E289-N291 PolarHBondContact O-N 2.89Å; E289-Y292 HydrophobicContact CG-CE2 4.43Å
290P98.5Very high98.2Very high3 Ų355 Ų552%0.01927%0.272CS..PPolyproline II helixtrans-62.2138.6176.2-20.130.9000111.4R213 L217 L284 Y292R213-P290 HydrophobicContact CB-CG 3.81Å; L217-P290 HydrophobicContact CD1-CG 4.4Å; L217-P290 HydrophobicContact CD2-CB 3.43Å; L217-P290 VanDerWaalsContact CD2-CB 3.43Å; L217-P290 HydrophobicContact CD2-CG 3.94Å; L284-P290 HydrophobicContact CD1-CB 3.89Å; L284-P290 HydrophobicContact CD1-CG 4.06Å; P290-Y292 VanDerWaalsContact C-N 3.33Å; P290-Y292 HydrophobicContact CB-CE2 4.17Å; P290-Y292 HydrophobicContact CG-CE2 4.43Å; P290-Y292 WeakPolarHBondContact O-CD2 3.31Å; P290-Y292 WeakPolarHBondContact O-CE2 3.14Å; P290-Y292 PolarHBondContact O-N 3.33Å
291N98.6Very high98.2Very high77 Ų7755.6 Ų55.641%0.41228%0.281SS..  trans-74.484.2169.5-169.9-15.4000110.7H280 E289 E293 L294 C295H280-N291 PolarHBondContact CE1-N 3.42Å; H280-N291 PolarHBondContact NE2-N 2.75Å; E289-N291 PolarHBondContact O-N 2.89Å; N291-E293 PolarHBondContact O-N 3.46Å; N291-E293 WeakPolarHBondContact OD1-CB 3.44Å; N291-E293 PolarHBondContact OD1-N 3.38Å; N291-L294 HydrophobicContact CB-CB 4.02Å; N291-L294 WeakPolarHBondContact O-CB 3.18Å; N291-L294 PolarHBondContact O-N 2.86Å; N291-L294 PolarHBondContact OD1-N 3.3Å; N291-C295 PolarHBondContact O-N 3.06Å
292Y98.7Very high98.2Very high10 Ų1055.5 Ų55.54%0.03928%0.281CS..Hα-helixtrans-58.6-35.4176.5-59-92.5000111.8L135 Q139 H142 L217 E289 P290 L294 C295 Y296L135-Y292 HydrophobicContact CD1-CD1 3.97Å; Q139-Y292 HydrophobicContact CB-CD1 3.74Å; Q139-Y292 HydrophobicContact CB-CE1 3.94Å; Q139-Y292 HydrophobicContact CB-CG 4.2Å; Q139-Y292 HydrophobicContact CG-CD1 3.94Å; Q139-Y292 HydrophobicContact CG-CD2 4.09Å; Q139-Y292 HydrophobicContact CG-CE1 4.26Å; Q139-Y292 HydrophobicContact CG-CE2 4.43Å; Q139-Y292 HydrophobicContact CG-CG 3.87Å; H142-Y292 WeakPolarHBondContact CB-OH 3.44Å; H142-Y292 VanDerWaalsContact CG-OH 3.26Å; H142-Y292 AromaticContact ND1-CE1 3.88Å; H142-Y292 AromaticContact ND1-CZ 3.72Å; H142-Y292 PolarHBondContact ND1-OH 2.91Å; L217-Y292 HydrophobicContact CD1-CE1 3.87Å; L217-Y292 HydrophobicContact CD2-CE1 4.28Å; E289-Y292 HydrophobicContact CG-CE2 4.43Å; P290-Y292 VanDerWaalsContact C-N 3.33Å; P290-Y292 HydrophobicContact CB-CE2 4.17Å; P290-Y292 HydrophobicContact CG-CE2 4.43Å; P290-Y292 WeakPolarHBondContact O-CD2 3.31Å; P290-Y292 WeakPolarHBondContact O-CE2 3.14Å; P290-Y292 PolarHBondContact O-N 3.33Å; Y292-L294 VanDerWaalsContact C-N 3.34Å; Y292-L294 PolarHBondContact O-N 2.66Å; Y292-C295 WeakPolarHBondContact O-CB 3.33Å; Y292-C295 PolarHBondContact O-N 3.38Å; Y292-C295 VanDerWaalsContact O-N 3.09Å; Y292-Y296 WeakPolarHBondContact O-CD2 3.13Å; Y292-Y296 PolarHBondContact O-N 3.33Å
293E98.6Very high98.3Very high107 Ų10751.3 Ų51.350%0.526%0.258SS..Hα-helixtrans-63.2-38.5179.3-172.355.8-149.600112.1N291 C295 Y296 N297N291-E293 PolarHBondContact O-N 3.46Å; N291-E293 WeakPolarHBondContact OD1-CB 3.44Å; N291-E293 PolarHBondContact OD1-N 3.38Å; E293-C295 VanDerWaalsContact C-N 3.32Å; E293-C295 PolarHBondContact O-N 3.43Å; E293-Y296 PolarHBondContact O-N 3.21Å; E293-N297 WeakPolarHBondContact O-CB 3.33Å; E293-N297 VanDerWaalsContact O-CG 3.28Å; E293-N297 PolarHBondContact O-N 3.11Å; E293-N297 PolarHBondContact O-ND2 2.83Å; E293-N297 PolarHBondContact OE1-ND2 2.77Å; E293-N297 VanDerWaalsContact OE1-ND2 3.08Å
294L98.7Very high98.3Very high44 Ų4452.5 Ų52.523%0.2326%0.261CS..Hα-helixtrans-57.8-47.9171.1178.5152.9000110.6H280 N291 Y292 Y296 N297 Q298H280-L294 HydrophobicContact CB-CD1 4.24Å; H280-L294 HydrophobicContact CB-CD2 4Å; N291-L294 HydrophobicContact CB-CB 4.02Å; N291-L294 WeakPolarHBondContact O-CB 3.18Å; N291-L294 PolarHBondContact O-N 2.86Å; N291-L294 PolarHBondContact OD1-N 3.3Å; Y292-L294 VanDerWaalsContact C-N 3.34Å; Y292-L294 PolarHBondContact O-N 2.66Å; L294-Y296 PolarHBondContact O-N 3.35Å; L294-N297 PolarHBondContact O-N 3.34Å; L294-Q298 HydrophobicContact CD2-CG 4.18Å; L294-Q298 WeakPolarHBondContact O-CG 3.11Å; L294-Q298 PolarHBondContact O-N 3.2Å
295C98.7Very high98.3Very high0 Ų057.7 Ų57.70%028%0.279CS..Hα-helixtrans-61.2-45.1179-61.60000111.5L135 W220 N291 Y292 E293 N297 Q298 L299L135-C295 HydrophobicContact CD2-CB 3.45Å; L135-C295 VanDerWaalsContact CD2-CB 3.45Å; W220-C295 HydrophobicContact CH2-CB 4.45Å; N291-C295 PolarHBondContact O-N 3.06Å; Y292-C295 WeakPolarHBondContact O-CB 3.33Å; Y292-C295 PolarHBondContact O-N 3.38Å; Y292-C295 VanDerWaalsContact O-N 3.09Å; E293-C295 VanDerWaalsContact C-N 3.32Å; E293-C295 PolarHBondContact O-N 3.43Å; C295-N297 PolarHBondContact O-N 3.07Å; C295-Q298 PolarHBondContact O-N 2.94Å; C295-L299 WeakPolarHBondContact O-CG 3.46Å; C295-L299 PolarHBondContact O-N 2.95Å; C295-L299 VanDerWaalsContact O-N 3.07Å
296Y98.7Very high98.3Very high22 Ų2259 Ų599%0.08628%0.279CS..Hα-helixtrans-59.8-45.5175.6-65.5-50.3000112.1L135 E136 Q139 Y292 E293 L294 Q298 L299 N300L135-Y296 HydrophobicContact CB-CE1 4.03Å; L135-Y296 HydrophobicContact CD2-CD1 3.74Å; L135-Y296 HydrophobicContact CD2-CE1 3.45Å; L135-Y296 VanDerWaalsContact CD2-CE1 3.45Å; L135-Y296 HydrophobicContact CD2-CG 4.4Å; L135-Y296 HydrophobicContact CG-CE1 3.74Å; E136-Y296 WeakPolarHBondContact CA-OH 3.5Å; E136-Y296 HydrophobicContact CG-CE1 3.92Å; E136-Y296 PolarHBondContact N-OH 2.96Å; Q139-Y296 PolarHBondContact OE1-OH 3.32Å; Q139-Y296 VanDerWaalsContact OE1-OH 3.06Å; Y292-Y296 WeakPolarHBondContact O-CD2 3.13Å; Y292-Y296 PolarHBondContact O-N 3.33Å; E293-Y296 PolarHBondContact O-N 3.21Å; L294-Y296 PolarHBondContact O-N 3.35Å; Y296-Q298 VanDerWaalsContact C-N 3.31Å; Y296-Q298 PolarHBondContact O-N 3.28Å; Y296-L299 PolarHBondContact O-N 3.34Å; Y296-N300 WeakPolarHBondContact O-CB 3.19Å; Y296-N300 PolarHBondContact O-N 3.44Å; Y296-N300 PolarHBondContact O-ND2 3.24Å
297N98.7Very high98.3Very high77 Ų7763.1 Ų63.141%0.41230%0.303SS..Hα-helixtrans-61.8-38.6178.9-75.5-43.7000112.5E293 L294 C295 N300 A301E293-N297 WeakPolarHBondContact O-CB 3.33Å; E293-N297 VanDerWaalsContact O-CG 3.28Å; E293-N297 PolarHBondContact O-N 3.11Å; E293-N297 PolarHBondContact O-ND2 2.83Å; E293-N297 PolarHBondContact OE1-ND2 2.77Å; E293-N297 VanDerWaalsContact OE1-ND2 3.08Å; L294-N297 PolarHBondContact O-N 3.34Å; C295-N297 PolarHBondContact O-N 3.07Å; N297-N300 PolarHBondContact O-N 2.97Å; N297-A301 VanDerWaalsContact O-CB 3.28Å; N297-A301 WeakPolarHBondContact O-CB 3.21Å; N297-A301 PolarHBondContact O-N 3.33Å
298Q98.8Very high98.4Very high41 Ų4159.9 Ų59.919%0.19229%0.29CS..Hα-helixtrans-64.7-43174.1-68.1-45.6-56.400112.1E273 M276 I277 L294 C295 Y296 A301 I302E273-Q298 HydrophobicContact CB-CB 4.05Å; M276-Q298 HydrophobicContact CB-CG 4.02Å; I277-Q298 HydrophobicContact CD1-CB 3.85Å; I277-Q298 HydrophobicContact CD1-CG 4.49Å; I277-Q298 HydrophobicContact CG1-CB 3.77Å; I277-Q298 HydrophobicContact CG1-CG 3.86Å; L294-Q298 HydrophobicContact CD2-CG 4.18Å; L294-Q298 WeakPolarHBondContact O-CG 3.11Å; L294-Q298 PolarHBondContact O-N 3.2Å; C295-Q298 PolarHBondContact O-N 2.94Å; Y296-Q298 VanDerWaalsContact C-N 3.31Å; Y296-Q298 PolarHBondContact O-N 3.28Å; Q298-A301 PolarHBondContact O-N 2.97Å; Q298-I302 WeakPolarHBondContact O-CG1 3.31Å; Q298-I302 PolarHBondContact O-N 3.44Å
299L98.7Very high98.4Very high0 Ų060.4 Ų60.40%029%0.29CS..Hα-helixtrans-65.7-42.3176.7-61.5175.8000111.9L128 A131 Q132 W220 L224 F274 I277 C295 Y296 I302 M303L128-L299 HydrophobicContact CD2-CB 4.36Å; L128-L299 HydrophobicContact CD2-CD2 3.78Å; A131-L299 HydrophobicContact CB-CD1 3.96Å; A131-L299 HydrophobicContact CB-CD2 4.18Å; Q132-L299 HydrophobicContact CG-CB 4.19Å; Q132-L299 HydrophobicContact CG-CD1 3.79Å; W220-L299 HydrophobicContact CH2-CD1 4.28Å; W220-L299 HydrophobicContact CZ2-CD1 4.08Å; L224-L299 HydrophobicContact CD2-CD2 4.15Å; F274-L299 HydrophobicContact CE1-CD2 4.09Å; I277-L299 HydrophobicContact CD1-CD2 4.4Å; C295-L299 WeakPolarHBondContact O-CG 3.46Å; C295-L299 PolarHBondContact O-N 2.95Å; C295-L299 VanDerWaalsContact O-N 3.07Å; Y296-L299 PolarHBondContact O-N 3.34Å; L299-I302 WeakPolarHBondContact O-CB 3.07Å; L299-I302 PolarHBondContact O-N 2.94Å; L299-M303 PolarHBondContact O-N 2.89Å; L299-M303 VanDerWaalsContact O-N 3.13Å
300N98.4Very high98.3Very high70 Ų7058.4 Ų58.437%0.37428%0.281SS..Hα-helixtrans-67.5-35.7178.6-68.6-18000112.3Q132 Y296 N297 I302 M303 Q304Q132-N300 PolarHBondContact NE2-OD1 3.15Å; Y296-N300 WeakPolarHBondContact O-CB 3.19Å; Y296-N300 PolarHBondContact O-N 3.44Å; Y296-N300 PolarHBondContact O-ND2 3.24Å; N297-N300 PolarHBondContact O-N 2.97Å; N300-I302 VanDerWaalsContact C-N 3.28Å; N300-I302 PolarHBondContact O-N 2.65Å; N300-M303 WeakPolarHBondContact O-CB 3.26Å; N300-M303 PolarHBondContact O-N 3.15Å; N300-Q304 PolarHBondContact O-N 3Å
301A98.6Very high98.1Very high35 Ų3566.4 Ų66.429%0.28931%0.311SS..Hα-helixtrans-61-38.5173.700000111.6E273 N297 Q298 Q304 R305E273-A301 HydrophobicContact CG-CB 4.31Å; N297-A301 VanDerWaalsContact O-CB 3.28Å; N297-A301 WeakPolarHBondContact O-CB 3.21Å; N297-A301 PolarHBondContact O-N 3.33Å; Q298-A301 PolarHBondContact O-N 2.97Å; A301-Q304 PolarHBondContact O-N 2.73Å; A301-R305 VanDerWaalsContact O-CB 3.23Å; A301-R305 WeakPolarHBondContact O-CB 3.04Å; A301-R305 PolarHBondContact O-N 3.1Å
302I98.5Very high98Very high0 Ų066.3 Ų66.30%031%0.307CS..Hα-helixtrans-65.1-46.4174.2-56.9160.8000110.4L124 L128 P271 E273 F274 Q298 L299 N300 Q304 R305 K306L124-I302 HydrophobicContact CD2-CG2 3.94Å; L124-I302 HydrophobicContact CG-CG2 4.43Å; L128-I302 HydrophobicContact CD1-CB 4.05Å; L128-I302 HydrophobicContact CD1-CG2 3.66Å; L128-I302 HydrophobicContact CD2-CB 4.16Å; L128-I302 HydrophobicContact CD2-CD1 3.77Å; L128-I302 HydrophobicContact CD2-CG2 4.28Å; P271-I302 HydrophobicContact CB-CD1 3.64Å; P271-I302 HydrophobicContact CB-CG1 3.88Å; P271-I302 HydrophobicContact CB-CG2 4.41Å; P271-I302 HydrophobicContact CG-CD1 3.95Å; P271-I302 HydrophobicContact CG-CG1 4.46Å; P271-I302 HydrophobicContact CG-CG2 4.33Å; E273-I302 HydrophobicContact CB-CD1 3.95Å; E273-I302 HydrophobicContact CB-CG1 3.81Å; E273-I302 HydrophobicContact CG-CD1 4.46Å; E273-I302 HydrophobicContact CG-CG1 3.76Å; E273-I302 WeakPolarHBondContact OE2-CG1 3.36Å; F274-I302 HydrophobicContact CD1-CD1 3.91Å; F274-I302 HydrophobicContact CE1-CD1 3.53Å; Q298-I302 WeakPolarHBondContact O-CG1 3.31Å; Q298-I302 PolarHBondContact O-N 3.44Å; L299-I302 WeakPolarHBondContact O-CB 3.07Å; L299-I302 PolarHBondContact O-N 2.94Å; N300-I302 VanDerWaalsContact C-N 3.28Å; N300-I302 PolarHBondContact O-N 2.65Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; I302-Q304 PolarHBondContact O-N 3.35Å; I302-R305 PolarHBondContact O-N 3.09Å; I302-K306 HydrophobicContact CG2-CG 4.18Å; I302-K306 WeakPolarHBondContact O-CB 3.19Å; I302-K306 WeakPolarHBondContact O-CG 3.48Å; I302-K306 PolarHBondContact O-N 3.46Å
303M98.3Very high97.9Very high12 Ų1268 Ų686%0.05932%0.32CS..Hα-helixtrans-55-49.1177.1-71.7-69.4-7400111.1L128 L299 N300 K306 N307 Y308L128-M303 HydrophobicContact CB-SD 4Å; L128-M303 HydrophobicContact CD1-CG 3.93Å; L128-M303 HydrophobicContact CD1-SD 3.57Å; L128-M303 VanDerWaalsContact CD1-SD 3.57Å; L128-M303 HydrophobicContact CG-SD 4.42Å; L299-M303 PolarHBondContact O-N 2.89Å; L299-M303 VanDerWaalsContact O-N 3.13Å; N300-M303 WeakPolarHBondContact O-CB 3.26Å; N300-M303 PolarHBondContact O-N 3.15Å; M303-K306 PolarHBondContact O-N 3.41Å; M303-N307 PolarHBondContact O-N 3.41Å; M303-N307 VanDerWaalsContact O-N 3.08Å; M303-Y308 PolarHBondContact O-N 3.21Å; M303-Y308 HydrophobicContact SD-CD2 3.9Å; M303-Y308 HydrophobicContact SD-CG 4.24Å
304Q98Very high97.9Very high153 Ų15363 Ų6372%0.71530%0.296SS*.Hα-helixtrans-62.6-48.9178.1-173.3-179.29.300111.7N300 A301 I302 K306 N307N300-Q304 PolarHBondContact O-N 3Å; A301-Q304 PolarHBondContact O-N 2.73Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; I302-Q304 PolarHBondContact O-N 3.35Å; Q304-K306 VanDerWaalsContact C-N 3.26Å; Q304-K306 PolarHBondContact O-N 2.75Å; Q304-N307 PolarHBondContact O-N 3.31Å; Q304-N307 PolarHBondContact O-OD1 2.83Å
305R97.9Very high97.9Very high130 Ų13060.9 Ų60.949%0.49129%0.285SS..Hα-helixtrans-62.4-32.2-179.3-178.4169.962.292.3-4.9112.9E273 A301 I302E273-R305 IonicContact OE1-CZ 3.86Å; E273-R305 IonicContact OE1-NE 3.93Å; E273-R305 PolarHBondContact OE1-NE 3.32Å; E273-R305 IonicContact OE1-NH2 3.75Å; E273-R305 PolarHBondContact OE1-NH2 3.48Å; E273-R305 IonicContact OE2-CZ 2.87Å; E273-R305 IonicContact OE2-NH2 3.2Å; E273-R305 PolarHBondContact OE2-NH2 3.38Å; A301-R305 VanDerWaalsContact O-CB 3.23Å; A301-R305 WeakPolarHBondContact O-CB 3.04Å; A301-R305 PolarHBondContact O-N 3.1Å; I302-R305 PolarHBondContact O-N 3.09Å
306K97.7Very high97.7Very high98 Ų9861.8 Ų61.843%0.42629%0.288SS..THydrogen-bonded Turntrans-88.8-1.1176.6-66.8-65.9-172.8174.40113.5L124 I302 M303 Q304 Y308L124-K306 HydrophobicContact CD2-CD 4.5Å; L124-K306 HydrophobicContact CD2-CG 4.17Å; I302-K306 HydrophobicContact CG2-CG 4.18Å; I302-K306 WeakPolarHBondContact O-CB 3.19Å; I302-K306 WeakPolarHBondContact O-CG 3.48Å; I302-K306 PolarHBondContact O-N 3.46Å; M303-K306 PolarHBondContact O-N 3.41Å; Q304-K306 VanDerWaalsContact C-N 3.26Å; Q304-K306 PolarHBondContact O-N 2.75Å; K306-Y308 HydrophobicContact CB-CD1 4.24Å; K306-Y308 HydrophobicContact CB-CD2 3.56Å; K306-Y308 HydrophobicContact CB-CE1 4.24Å; K306-Y308 HydrophobicContact CB-CE2 3.55Å; K306-Y308 HydrophobicContact CB-CG 3.92Å; K306-Y308 HydrophobicContact CG-CD2 4.29Å; K306-Y308 HydrophobicContact CG-CE2 3.9Å; K306-Y308 PolarHBondContact O-N 3.42Å
307N98Very high97.6Very high120 Ų12061.1 Ų61.164%0.64229%0.286SS*.THydrogen-bonded Turntrans52.332.8-172.5-62.5-49.7000113.2M303 Q304M303-N307 PolarHBondContact O-N 3.41Å; M303-N307 VanDerWaalsContact O-N 3.08Å; Q304-N307 PolarHBondContact O-N 3.31Å; Q304-N307 PolarHBondContact O-OD1 2.83Å
308Y98.2Very high97.2Very high61 Ų6165 Ų6524%0.23930%0.302CS..  trans-74.1141.4175.6-71.8-32000110.9L124 R125 L128 M303 K306 F312L124-Y308 HydrophobicContact CB-CE2 4.3Å; L124-Y308 HydrophobicContact CD2-CE2 4.24Å; L124-Y308 HydrophobicContact CG-CE2 4.15Å; R125-Y308 HydrophobicContact CB-CD1 4.41Å; R125-Y308 HydrophobicContact CB-CD2 4.2Å; R125-Y308 HydrophobicContact CB-CE1 4.27Å; R125-Y308 HydrophobicContact CB-CE2 4.05Å; R125-Y308 HydrophobicContact CB-CG 4.39Å; L128-Y308 HydrophobicContact CD1-CD2 4.09Å; L128-Y308 HydrophobicContact CD1-CE2 4.34Å; M303-Y308 PolarHBondContact O-N 3.21Å; M303-Y308 HydrophobicContact SD-CD2 3.9Å; M303-Y308 HydrophobicContact SD-CG 4.24Å; K306-Y308 HydrophobicContact CB-CD1 4.24Å; K306-Y308 HydrophobicContact CB-CD2 3.56Å; K306-Y308 HydrophobicContact CB-CE1 4.24Å; K306-Y308 HydrophobicContact CB-CE2 3.55Å; K306-Y308 HydrophobicContact CB-CG 3.92Å; K306-Y308 HydrophobicContact CG-CD2 4.29Å; K306-Y308 HydrophobicContact CG-CE2 3.9Å; K306-Y308 PolarHBondContact O-N 3.42Å; Y308-F312 AromaticContact CD1-CD2 3.82Å; Y308-F312 HydrophobicContact CD1-CD2 3.82Å; Y308-F312 HydrophobicContact CD1-CE2 4.05Å
309Q97.2Very high97Very high75 Ų7571.2 Ų71.235%0.3533%0.331SS..  trans-112.7155.5175.6-56.9-62.6-35.200110.1R125 W311 F312R125-Q309 PolarHBondContact NE-O 3.07Å; R125-Q309 VanDerWaalsContact NE-O 3.14Å; Q309-W311 VanDerWaalsContact C-N 3.25Å; Q309-W311 HydrophobicContact CB-CD2 3.61Å; Q309-W311 HydrophobicContact CB-CE3 3.83Å; Q309-W311 HydrophobicContact CB-CG 4.31Å; Q309-W311 HydrophobicContact CB-CH2 3.69Å; Q309-W311 HydrophobicContact CB-CZ2 3.47Å; Q309-W311 VanDerWaalsContact CB-CZ2 3.47Å; Q309-W311 HydrophobicContact CB-CZ3 3.86Å; Q309-W311 HydrophobicContact CG-CD2 4.45Å; Q309-W311 HydrophobicContact CG-CH2 3.65Å; Q309-W311 HydrophobicContact CG-CZ2 3.36Å; Q309-W311 HydrophobicContact CG-CZ3 4.31Å; Q309-W311 PolarHBondContact O-N 2.81Å; Q309-F312 HydrophobicContact CB-CD1 3.73Å; Q309-F312 HydrophobicContact CB-CE1 3.74Å; Q309-F312 HydrophobicContact CB-CG 4.25Å; Q309-F312 HydrophobicContact CB-CZ 4.26Å; Q309-F312 HydrophobicContact CG-CD1 4.24Å; Q309-F312 HydrophobicContact CG-CE1 3.72Å; Q309-F312 HydrophobicContact CG-CZ 3.93Å; Q309-F312 WeakPolarHBondContact O-CB 3.17Å; Q309-F312 PolarHBondContact O-N 3Å; Q309-F312 VanDerWaalsContact O-N 3.13Å
310E95.7Very high96.9Very high91 Ų9171.7 Ų71.743%0.42534%0.335SS..THydrogen-bonded Turntrans-58.7-40.7180-75-54.6144.100111.5R125 R165 F312R125-E310 PolarHBondContact NH2-O 3.42Å; R125-E310 IonicContact NH2-OE2 3.52Å; R125-E310 PolarHBondContact NH2-OE2 3.2Å; R125-E310 VanDerWaalsContact NH2-OE2 3.15Å; R165-E310 PolarHBondContact NH1-O 3.49Å; E310-F312 VanDerWaalsContact C-N 3.27Å; E310-F312 PolarHBondContact O-N 2.9Å
311W95.2Very high96.9Very high172 Ų17274.6 Ų74.665%0.65235%0.347SS*.THydrogen-bonded Turntrans-73.7-7.8-179.260.987.4000115R165 Q309R165-W311 PolarHBondContact NH2-O 3.15Å; Q309-W311 VanDerWaalsContact C-N 3.25Å; Q309-W311 HydrophobicContact CB-CD2 3.61Å; Q309-W311 HydrophobicContact CB-CE3 3.83Å; Q309-W311 HydrophobicContact CB-CG 4.31Å; Q309-W311 HydrophobicContact CB-CH2 3.69Å; Q309-W311 HydrophobicContact CB-CZ2 3.47Å; Q309-W311 VanDerWaalsContact CB-CZ2 3.47Å; Q309-W311 HydrophobicContact CB-CZ3 3.86Å; Q309-W311 HydrophobicContact CG-CD2 4.45Å; Q309-W311 HydrophobicContact CG-CH2 3.65Å; Q309-W311 HydrophobicContact CG-CZ2 3.36Å; Q309-W311 HydrophobicContact CG-CZ3 4.31Å; Q309-W311 PolarHBondContact O-N 2.81Å
312F97.3Very high96.8Very high75 Ų7574.2 Ų74.233%0.32934%0.338SS..SBendtrans-59136.4177.9-77.88.8000110.8R125 R165 Y308 Q309 E310 L314R125-F312 HydrophobicContact CG-CB 4.35Å; R165-F312 PolarHBondContact NH2-O 3.42Å; Y308-F312 AromaticContact CD1-CD2 3.82Å; Y308-F312 HydrophobicContact CD1-CD2 3.82Å; Y308-F312 HydrophobicContact CD1-CE2 4.05Å; Q309-F312 HydrophobicContact CB-CD1 3.73Å; Q309-F312 HydrophobicContact CB-CE1 3.74Å; Q309-F312 HydrophobicContact CB-CG 4.25Å; Q309-F312 HydrophobicContact CB-CZ 4.26Å; Q309-F312 HydrophobicContact CG-CD1 4.24Å; Q309-F312 HydrophobicContact CG-CE1 3.72Å; Q309-F312 HydrophobicContact CG-CZ 3.93Å; Q309-F312 WeakPolarHBondContact O-CB 3.17Å; Q309-F312 PolarHBondContact O-N 3Å; Q309-F312 VanDerWaalsContact O-N 3.13Å; E310-F312 VanDerWaalsContact C-N 3.27Å; E310-F312 PolarHBondContact O-N 2.9Å; F312-L314 PolarHBondContact O-N 2.92Å
313P96.8Very high96.7Very high46 Ų4677.3 Ų77.330%0.29935%0.352SS..PPolyproline II helixtrans-54.5131.3-177.8-27.133.9000112.1E317 E319P313-E317 WeakPolarHBondContact CA-OE2 3.24Å; P313-E317 HydrophobicContact CB-CB 4.48Å; P313-E319 HydrophobicContact CB-CB 4.25Å; P313-E319 HydrophobicContact CG-CB 3.85Å
314L97.8Very high96.6Very high0 Ų079.9 Ų79.90%038%0.376CS..PPolyproline II helixtrans-82.8165.5168-52.8-178.8000110.1R125 S126 H129 R165 F312 W316 E317 G320R125-L314 HydrophobicContact CG-CD2 4.11Å; S126-L314 WeakPolarHBondContact OG-CA 3.37Å; H129-L314 HydrophobicContact CB-CD1 4.16Å; H129-L314 HydrophobicContact CB-CD2 3.9Å; H129-L314 VanDerWaalsContact CD2-CD1 3.4Å; H129-L314 WeakPolarHBondContact CD2-CD1 3.3Å; R165-L314 HydrophobicContact CG-CD1 4.03Å; F312-L314 PolarHBondContact O-N 2.92Å; L314-W316 HydrophobicContact CB-CD2 4.17Å; L314-W316 HydrophobicContact CB-CE3 4.42Å; L314-W316 HydrophobicContact CB-CH2 4.08Å; L314-W316 HydrophobicContact CB-CZ2 3.88Å; L314-W316 HydrophobicContact CB-CZ3 4.38Å; L314-W316 HydrophobicContact CD1-CH2 3.93Å; L314-W316 HydrophobicContact CD1-CZ2 3.33Å; L314-W316 HydrophobicContact CG-CZ2 4.22Å; L314-W316 PolarHBondContact O-N 3.31Å; L314-E317 HydrophobicContact CB-CG 3.97Å; L314-E317 VanDerWaalsContact CD1-OE1 3.29Å; L314-E317 WeakPolarHBondContact CD1-OE1 3.38Å; L314-E317 VanDerWaalsContact CG-OE1 3.27Å; L314-E317 WeakPolarHBondContact CG-OE1 3.21Å; L314-E317 PolarHBondContact N-OE2 3.37Å; L314-E317 WeakPolarHBondContact O-CB 3.36Å; L314-E317 PolarHBondContact O-N 3.41Å; L314-G320 VanDerWaalsContact O-CA 3.26Å; L314-G320 WeakPolarHBondContact O-CA 3.25Å
315D97.7Very high96.5Very high1 Ų174.3 Ų74.31%0.00535%0.35CS..THydrogen-bonded Turntrans-60.1-25.8-171.1-69.24.9000112.6F122 T123 S126 Y322 H323 T326F122-D315 WeakPolarHBondContact CA-OD2 3.41Å; F122-D315 WeakPolarHBondContact CB-OD2 3.31Å; F122-D315 HydrophobicContact CD1-CB 4.34Å; F122-D315 WeakPolarHBondContact CD1-OD2 3.46Å; T123-D315 VanDerWaalsContact CB-OD1 3.29Å; T123-D315 WeakPolarHBondContact CB-OD1 3.4Å; T123-D315 WeakPolarHBondContact CG2-OD1 3.39Å; T123-D315 PolarHBondContact N-OD2 3.43Å; T123-D315 PolarHBondContact OG1-OD1 2.87Å; S126-D315 WeakPolarHBondContact CB-OD1 3.31Å; S126-D315 PolarHBondContact OG-N 3.41Å; S126-D315 PolarHBondContact OG-OD1 2.82Å; D315-Y322 HydrophobicContact CB-CD2 4.36Å; D315-Y322 CarbonylContact O-C 3.56Å; D315-Y322 WeakPolarHBondContact OD2-CD2 3.29Å; D315-H323 WeakPolarHBondContact O-CA 3.22Å; D315-H323 PolarHBondContact O-N 2.89Å; D315-T326 HydrophobicContact CB-CG2 4.21Å; D315-T326 PolarHBondContact O-OG1 2.8Å
316W95.9Very high96.4Very high19 Ų1968.2 Ų68.27%0.07233%0.327CS..THydrogen-bonded Turntrans-99.66.9179.555.888.6000114.7M107 L130 T158 Y164 L314 H323 T326M107-W316 HydrophobicContact CE-CE3 4.11Å; M107-W316 HydrophobicContact CE-CZ3 4.22Å; M107-W316 HydrophobicContact SD-CB 4.25Å; M107-W316 HydrophobicContact SD-CD2 3.9Å; M107-W316 HydrophobicContact SD-CE3 3.69Å; M107-W316 HydrophobicContact SD-CG 4.16Å; M107-W316 HydrophobicContact SD-CZ3 4.39Å; L130-W316 HydrophobicContact CD1-CH2 3.97Å; L130-W316 HydrophobicContact CD1-CZ3 4.04Å; L130-W316 HydrophobicContact CD2-CH2 3.35Å; L130-W316 HydrophobicContact CD2-CZ2 3.85Å; L130-W316 HydrophobicContact CD2-CZ3 4.2Å; L130-W316 HydrophobicContact CG-CH2 3.64Å; L130-W316 HydrophobicContact CG-CZ3 4.21Å; T158-W316 HydrophobicContact CG2-CD2 4.45Å; T158-W316 HydrophobicContact CG2-CZ2 3.95Å; Y164-W316 PolarHBondContact O-NE1 3.08Å; L314-W316 HydrophobicContact CB-CD2 4.17Å; L314-W316 HydrophobicContact CB-CE3 4.42Å; L314-W316 HydrophobicContact CB-CH2 4.08Å; L314-W316 HydrophobicContact CB-CZ2 3.88Å; L314-W316 HydrophobicContact CB-CZ3 4.38Å; L314-W316 HydrophobicContact CD1-CH2 3.93Å; L314-W316 HydrophobicContact CD1-CZ2 3.33Å; L314-W316 HydrophobicContact CG-CZ2 4.22Å; L314-W316 PolarHBondContact O-N 3.31Å; W316-H323 PolarHBondContact O-ND1 2.92Å; W316-T326 WeakPolarHBondContact CA-OG1 3.33Å
317E95.5Very high96.2Very high7 Ų767.7 Ų67.73%0.03333%0.332CS..SBendtrans-100.7160.5179.7-64175.2-177.700111.5Y164 R165 P313 L314 E319 G320 H323Y164-E317 HydrophobicContact CD2-CG 3.41Å; Y164-E317 VanDerWaalsContact CD2-CG 3.41Å; Y164-E317 WeakPolarHBondContact CD2-OE1 3.44Å; Y164-E317 HydrophobicContact CE2-CB 4.41Å; Y164-E317 HydrophobicContact CE2-CG 3.32Å; Y164-E317 WeakPolarHBondContact CE2-OE1 3.44Å; Y164-E317 HydrophobicContact CG-CG 4.29Å; R165-E317 WeakPolarHBondContact CD-OE1 3.47Å; R165-E317 WeakPolarHBondContact CG-OE1 3.25Å; R165-E317 IonicContact CZ-OE1 3Å; R165-E317 IonicContact CZ-OE2 2.7Å; R165-E317 IonicContact NE-OE1 2.85Å; R165-E317 PolarHBondContact NE-OE1 3.3Å; R165-E317 IonicContact NE-OE2 3.32Å; R165-E317 PolarHBondContact NE-OE2 3.16Å; R165-E317 IonicContact NH2-OE1 3.83Å; R165-E317 IonicContact NH2-OE2 2.81Å; R165-E317 PolarHBondContact NH2-OE2 2.85Å; P313-E317 WeakPolarHBondContact CA-OE2 3.24Å; P313-E317 HydrophobicContact CB-CB 4.48Å; L314-E317 HydrophobicContact CB-CG 3.97Å; L314-E317 VanDerWaalsContact CD1-OE1 3.29Å; L314-E317 WeakPolarHBondContact CD1-OE1 3.38Å; L314-E317 VanDerWaalsContact CG-OE1 3.27Å; L314-E317 WeakPolarHBondContact CG-OE1 3.21Å; L314-E317 PolarHBondContact N-OE2 3.37Å; L314-E317 WeakPolarHBondContact O-CB 3.36Å; L314-E317 PolarHBondContact O-N 3.41Å; E317-E319 PolarHBondContact O-N 3.14Å; E317-G320 WeakPolarHBondContact O-CA 3.43Å; E317-G320 PolarHBondContact O-N 3.15Å; E317-H323 VanDerWaalsContact C-ND1 3.29Å; E317-H323 VanDerWaalsContact O-CB 3.26Å; E317-H323 WeakPolarHBondContact O-CB 3.23Å; E317-H323 PolarHBondContact O-ND1 3.13Å
318Q92.1Very high96Very high160 Ų16065.6 Ų65.675%0.74833%0.331SS*.THydrogen-bonded Turntrans-56.2132169.9-167.6169.35.600109G320Q318-G320 VanDerWaalsContact C-N 3.27Å; Q318-G320 PolarHBondContact O-N 3.2Å
319E94.6Very high95.8Very high170 Ų17062.9 Ų62.979%0.79432%0.321SS*.THydrogen-bonded Turntrans74.80-171.7-48178.8173.300116.2P313 E317P313-E319 HydrophobicContact CB-CB 4.25Å; P313-E319 HydrophobicContact CG-CB 3.85Å; E317-E319 PolarHBondContact O-N 3.14Å
320G96.6Very high95.6Very high10 Ų1063.2 Ų63.210%0.10333%0.33CS..  trans-64.6142.517000000112.6L314 E317 Q318 Y322 H323L314-G320 VanDerWaalsContact O-CA 3.26Å; L314-G320 WeakPolarHBondContact O-CA 3.25Å; E317-G320 WeakPolarHBondContact O-CA 3.43Å; E317-G320 PolarHBondContact O-N 3.15Å; Q318-G320 VanDerWaalsContact C-N 3.27Å; Q318-G320 PolarHBondContact O-N 3.2Å; G320-Y322 PolarHBondContact O-N 2.89Å; G320-Y322 VanDerWaalsContact O-N 3.13Å; G320-H323 WeakPolarHBondContact O-CB 3.11Å; G320-H323 PolarHBondContact O-N 2.88Å; G320-H323 VanDerWaalsContact O-N 3.12Å
321E97Very high95.4Very high131 Ų13163 Ų6361%0.61233%0.33SS*.THydrogen-bonded Turntrans-55.2-36-176.6-170.3-179.3142.600112.7T123T123-E321 HydrophobicContact CG2-CB 3.75Å; T123-E321 HydrophobicContact CG2-CG 4.36Å; T123-E321 VanDerWaalsContact CG2-OE2 3.28Å; T123-E321 WeakPolarHBondContact CG2-OE2 3.3Å
322Y96.9Very high95.1Very high28 Ų2855.4 Ų55.411%0.1130%0.302CS..THydrogen-bonded Turntrans-115.228.8-179.1-50-42.3000113.7L111 K114 F115 R121 T123 D315 G320 A324 E325 T326L111-Y322 HydrophobicContact CD1-CD2 3.92Å; L111-Y322 HydrophobicContact CD1-CE2 4.49Å; L111-Y322 HydrophobicContact CD2-CD1 4.44Å; L111-Y322 HydrophobicContact CD2-CD2 3.79Å; L111-Y322 HydrophobicContact CD2-CG 3.61Å; K114-Y322 HydrophobicContact CG-CD1 4.28Å; F115-Y322 HydrophobicContact CE2-CE2 4.2Å; F115-Y322 HydrophobicContact CZ-CE1 4.39Å; F115-Y322 AromaticContact CZ-CE2 3.84Å; F115-Y322 HydrophobicContact CZ-CE2 3.84Å; F115-Y322 AromaticContact CZ-CZ 3.66Å; R121-Y322 WeakPolarHBondContact O-CE2 3.45Å; T123-Y322 HydrophobicContact CG2-CD2 4.4Å; T123-Y322 HydrophobicContact CG2-CE2 3.98Å; D315-Y322 HydrophobicContact CB-CD2 4.36Å; D315-Y322 CarbonylContact O-C 3.56Å; D315-Y322 WeakPolarHBondContact OD2-CD2 3.29Å; G320-Y322 PolarHBondContact O-N 2.89Å; G320-Y322 VanDerWaalsContact O-N 3.13Å; Y322-A324 VanDerWaalsContact C-N 3.34Å; Y322-A324 PolarHBondContact O-N 3.45Å; Y322-E325 PolarHBondContact O-N 3.31Å; Y322-T326 WeakPolarHBondContact O-CB 3.26Å; Y322-T326 WeakPolarHBondContact O-CG2 3.47Å; Y322-T326 PolarHBondContact O-N 2.57Å; Y322-T326 PolarHBondContact O-OG1 3.13Å
323H96.4Very high94.6Very high64 Ų6454.7 Ų54.730%0.29630%0.301SS..Hα-helixtrans-56.7-46.8-174176.856.9000112.5D315 W316 E317 G320 E325 T326 V327D315-H323 WeakPolarHBondContact O-CA 3.22Å; D315-H323 PolarHBondContact O-N 2.89Å; W316-H323 PolarHBondContact O-ND1 2.92Å; E317-H323 VanDerWaalsContact C-ND1 3.29Å; E317-H323 VanDerWaalsContact O-CB 3.26Å; E317-H323 WeakPolarHBondContact O-CB 3.23Å; E317-H323 PolarHBondContact O-ND1 3.13Å; G320-H323 WeakPolarHBondContact O-CB 3.11Å; G320-H323 PolarHBondContact O-N 2.88Å; G320-H323 VanDerWaalsContact O-N 3.12Å; H323-E325 VanDerWaalsContact C-N 3.26Å; H323-E325 PolarHBondContact O-N 3.45Å; H323-T326 PolarHBondContact O-N 3.03Å; H323-T326 PolarHBondContact O-OG1 3.12Å; H323-V327 VanDerWaalsContact O-CB 3.31Å; H323-V327 WeakPolarHBondContact O-CB 3.49Å; H323-V327 WeakPolarHBondContact O-CG1 3.26Å; H323-V327 PolarHBondContact O-N 3.31Å
324A95.7Very high94.1Very high66 Ų6652.9 Ų52.955%0.54529%0.289SS..Hα-helixtrans-60.4-36.6-176.500000112.5Y322Y322-A324 VanDerWaalsContact C-N 3.34Å; Y322-A324 PolarHBondContact O-N 3.45Å
325E96.9Very high93.4Very high37 Ų3753.6 Ų53.617%0.17329%0.292CS..Hα-helixtrans-83.6-42-178.7-66.473.5-158.500112.3S110 L111 K114 Y322 H323 A328 A329S110-E325 WeakPolarHBondContact CB-O 3.32Å; S110-E325 PolarHBondContact OG-O 2.9Å; L111-E325 HydrophobicContact CD2-CB 3.89Å; K114-E325 WeakPolarHBondContact CE-OE1 3.43Å; K114-E325 WeakPolarHBondContact CE-OE2 3.37Å; K114-E325 HydrophobicContact CG-CG 4.24Å; K114-E325 IonicContact NZ-OE1 2.75Å; K114-E325 PolarHBondContact NZ-OE1 3.02Å; K114-E325 IonicContact NZ-OE2 2.8Å; Y322-E325 PolarHBondContact O-N 3.31Å; H323-E325 VanDerWaalsContact C-N 3.26Å; H323-E325 PolarHBondContact O-N 3.45Å; E325-A328 PolarHBondContact O-N 3.24Å; E325-A329 PolarHBondContact O-N 3.34Å
326T95Very high91.8Very high1 Ų155.1 Ų55.11%0.00630%0.302CS..Hα-helixtrans-75.4-32.2-176.251.50000112.6M107 L111 D315 W316 Y322 H323 A328 A329M107-T326 HydrophobicContact CB-CG2 4.48Å; L111-T326 HydrophobicContact CD2-CG2 3.77Å; L111-T326 HydrophobicContact CG-CG2 4.25Å; D315-T326 HydrophobicContact CB-CG2 4.21Å; D315-T326 PolarHBondContact O-OG1 2.8Å; W316-T326 WeakPolarHBondContact CA-OG1 3.33Å; Y322-T326 WeakPolarHBondContact O-CB 3.26Å; Y322-T326 WeakPolarHBondContact O-CG2 3.47Å; Y322-T326 PolarHBondContact O-N 2.57Å; Y322-T326 PolarHBondContact O-OG1 3.13Å; H323-T326 PolarHBondContact O-N 3.03Å; H323-T326 PolarHBondContact O-OG1 3.12Å; T326-A328 PolarHBondContact O-N 3.31Å; T326-A329 WeakPolarHBondContact O-CB 3.3Å; T326-A329 PolarHBondContact O-N 2.97Å; T326-A329 VanDerWaalsContact O-N 3.07Å
327V93.3Very high90.2Very high88 Ų8857 Ų5753%0.53331%0.314SS..THydrogen-bonded Turntrans-67.5-24.9172.579.50000111.9H323 A329H323-V327 VanDerWaalsContact O-CB 3.31Å; H323-V327 WeakPolarHBondContact O-CB 3.49Å; H323-V327 WeakPolarHBondContact O-CG1 3.26Å; H323-V327 PolarHBondContact O-N 3.31Å; V327-A329 VanDerWaalsContact C-N 3.28Å
328A93.5Very high88Confident75 Ų7561.9 Ų61.962%0.6234%0.337SS*.THydrogen-bonded Turntrans-83.7-2.1174.200000113.1E325 T326E325-A328 PolarHBondContact O-N 3.24Å; T326-A328 PolarHBondContact O-N 3.31Å
329A94.5Very high85.6Confident4 Ų461.2 Ų61.23%0.03333%0.331CS..SBendtrans-60.7137.1177.100000110.4P102 M107 E325 T326 V327 M331P102-A329 HydrophobicContact CB-CB 3.82Å; P102-A329 HydrophobicContact CG-CB 4.33Å; M107-A329 HydrophobicContact CG-CB 4.05Å; E325-A329 PolarHBondContact O-N 3.34Å; T326-A329 WeakPolarHBondContact O-CB 3.3Å; T326-A329 PolarHBondContact O-N 2.97Å; T326-A329 VanDerWaalsContact O-N 3.07Å; V327-A329 VanDerWaalsContact C-N 3.28Å; A329-M331 PolarHBondContact O-N 2.8Å
330P92.8Very high82.9Confident83 Ų8357.5 Ų57.554%0.53932%0.317SS..PPolyproline II helixtrans-61.7136.8176.325.7-32.6000109.9P102 S106P102-P330 WeakPolarHBondContact CB-O 3.48Å; S106-P330 WeakPolarHBondContact CB-O 2.82Å
331M92.2Very high79.9Confident87 Ų8761.7 Ų61.743%0.42934%0.337SS..PPolyproline II helixtrans-60.6147.1174.3-62.7-63.5121.900110.1P102 A329 D333P102-M331 HydrophobicContact CG-CE 4.44Å; A329-M331 PolarHBondContact O-N 2.8Å; M331-D333 PolarHBondContact O-N 2.75Å
332H89.5Confident76.6Confident12 Ų1257.6 Ų57.66%0.05633%0.33CS..PPolyproline II helixtrans-66.7134.3179.1-166.9-103.9000111V100 G101 Q154 A157 L170 M334V100-H332 HydrophobicContact CG2-CB 4.09Å; G101-H332 VanDerWaalsContact O-CB 3.25Å; G101-H332 WeakPolarHBondContact O-CB 3.34Å; G101-H332 PolarHBondContact O-N 2.77Å; Q154-H332 PolarHBondContact O-NE2 2.99Å; Q154-H332 VanDerWaalsContact O-NE2 3.14Å; A157-H332 HydrophobicContact CB-CB 4.4Å; L170-H332 WeakPolarHBondContact CD1-ND1 3.48Å; H332-M334 VanDerWaalsContact C-N 3.29Å; H332-M334 PolarHBondContact CE1-N 2.9Å; H332-M334 VanDerWaalsContact ND1-CA 3.31Å; H332-M334 WeakPolarHBondContact ND1-CA 3.45Å; H332-M334 PolarHBondContact ND1-N 2.87Å; H332-M334 PolarHBondContact ND1-SD 2.8Å; H332-M334 VanDerWaalsContact ND1-SD 3.35Å
333D85Confident73.3Confident59 Ų5958.1 Ų58.132%0.31634%0.343SS..  trans-83.1-7.9-177.971.21.8000113.3L28 V36 M331 M335L28-D333 WeakPolarHBondContact O-CB 3.28Å; V36-D333 WeakPolarHBondContact CB-O 3.37Å; M331-D333 PolarHBondContact O-N 2.75Å; D333-M335 PolarHBondContact O-N 3.21Å; D333-M335 PolarHBondContact OD1-N 3.34Å
334M87.1Confident70Confident9 Ų964.1 Ų64.14%0.04438%0.378CS..  trans60.313.5177.8-59.4-72.2-86.600114.1V36 M97 V100 L170 H332V36-M334 HydrophobicContact CB-CB 4.43Å; V36-M334 HydrophobicContact CG1-CB 3.99Å; V36-M334 HydrophobicContact CG2-CB 4.07Å; M97-M334 HydrophobicContact CE-CE 3.7Å; M97-M334 HydrophobicContact SD-CE 4.08Å; V100-M334 HydrophobicContact CB-SD 4.45Å; V100-M334 HydrophobicContact CG1-CE 4.13Å; V100-M334 HydrophobicContact CG1-SD 4.41Å; V100-M334 HydrophobicContact CG2-CE 4.03Å; V100-M334 HydrophobicContact CG2-CG 4.15Å; V100-M334 HydrophobicContact CG2-SD 3.25Å; V100-M334 WeakPolarHBondContact CG2-SD 3.3Å; L170-M334 HydrophobicContact CD1-SD 3.6Å; L170-M334 HydrophobicContact CD2-CE 3.71Å; L170-M334 HydrophobicContact CD2-SD 3.82Å; L170-M334 HydrophobicContact CG-SD 4.3Å; H332-M334 VanDerWaalsContact C-N 3.29Å; H332-M334 PolarHBondContact CE1-N 2.9Å; H332-M334 VanDerWaalsContact ND1-CA 3.31Å; H332-M334 WeakPolarHBondContact ND1-CA 3.45Å; H332-M334 PolarHBondContact ND1-N 2.87Å; H332-M334 PolarHBondContact ND1-SD 2.8Å; H332-M334 VanDerWaalsContact ND1-SD 3.35Å
335M82.2Confident68.8Low14 Ų1464.1 Ų64.17%0.06937%0.369CS..  trans-81.8145.7172.7-74.2-61.9-54.600110.1G31 G34 V36 D333 N337G31-M335 VanDerWaalsContact CA-CE 3.43Å; G34-M335 WeakPolarHBondContact O-CE 3.22Å; V36-M335 HydrophobicContact CB-SD 4.32Å; V36-M335 HydrophobicContact CG2-CG 4.15Å; V36-M335 HydrophobicContact CG2-SD 3.59Å; V36-M335 VanDerWaalsContact CG2-SD 3.59Å; D333-M335 PolarHBondContact O-N 3.21Å; D333-M335 PolarHBondContact OD1-N 3.34Å; M335-N337 PolarHBondContact O-N 2.82Å
336P65.4Low67.3Low33 Ų3365.5 Ų65.521%0.21438%0.38CS..  trans-60.3130.6167.8-15.129.4000108.8E338P336-E338 PolarHBondContact O-N 3.12Å
337N62.8Low65.7Low59 Ų5969.1 Ų69.132%0.31640%0.401SS..  trans-67.598.8174.3-88.3-54.7000109.6Q154 M335 K339Q154-N337 WeakPolarHBondContact CB-ND2 2.75Å; Q154-N337 WeakPolarHBondContact CG-ND2 3.45Å; M335-N337 PolarHBondContact O-N 2.82Å; N337-K339 PolarHBondContact O-N 2.89Å
338E49.2Very low64.1Low110 Ų11067.9 Ų67.951%0.51439%0.393SS..  trans-70.3-13.5179.2-69.7-174.1168.500112.7G32 P336G32-E338 VanDerWaalsContact N-CD 3.35Å; G32-E338 PolarHBondContact N-OE1 3.07Å; G32-E338 PolarHBondContact N-OE2 3.2Å; G32-E338 VanDerWaalsContact N-OE2 3.08Å; P336-E338 PolarHBondContact O-N 3.12Å
339K41.9Very low62.3Low145 Ų14567.5 Ų67.563%0.6338%0.379SS*.  trans-90.8119.8179.7-62.4-176-179.4173.90111.1N337 D341N337-K339 PolarHBondContact O-N 2.89Å; K339-D341 VanDerWaalsContact CB-CG 3.49Å; K339-D341 WeakPolarHBondContact CB-OD1 3.44Å; K339-D341 WeakPolarHBondContact CD-OD1 3.42Å; K339-D341 PolarHBondContact O-N 3.38Å
340N37.2Very low60.1Low93 Ų9371.7 Ų71.750%0.49740%0.402SS..  trans-64.576.4151.7-99.3-21.9000107.2G196 G342G196-N340 PolarHBondContact O-OD1 3.26Å; N340-G342 PolarHBondContact O-N 3.03Å
341D33.4Very low57.8Low98 Ų9870.9 Ų70.952%0.52439%0.392SS..  trans-72.487.1176-73.6-32.3000108.4K339 G343K339-D341 VanDerWaalsContact CB-CG 3.49Å; K339-D341 WeakPolarHBondContact CB-OD1 3.44Å; K339-D341 WeakPolarHBondContact CD-OD1 3.42Å; K339-D341 PolarHBondContact O-N 3.38Å; D341-G343 VanDerWaalsContact C-N 3.25Å; D341-G343 PolarHBondContact O-N 3.29Å; D341-G343 VanDerWaalsContact O-N 3.12Å
342G27.7Very low55.2Low45 Ų4569.7 Ų69.746%0.46439%0.389SS..  trans-71.987157.200000108.6N340N340-G342 PolarHBondContact O-N 3.03Å
343G27.6Very low52.3Low38 Ų3874.5 Ų74.539%0.39242%0.417SS..  trans64.8123.3157.900000117.2D341D341-G343 VanDerWaalsContact C-N 3.25Å; D341-G343 PolarHBondContact O-N 3.29Å; D341-G343 VanDerWaalsContact O-N 3.12Å
344D28Very low49.3Very low191 Ų19175.9 Ų75.9100%1.02143%0.426SS*.  trans-57.80152.6-87.8-28.5000112.3R112R112-D344 IonicContact CZ-OD2 2.72Å; R112-D344 IonicContact NH1-OD2 3.51Å; R112-D344 IonicContact NH2-OD2 3.42Å; R112-D344 PolarHBondContact NH2-OD2 3.25Å

Retrieved 344 of 344 residues in 398.3 ms (Link to these results)

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