A0A060Y3S9_ONCMY Loading...

COMM domain containing 2

AlphaFold DB , UniProt , Accession A0A060Y3S9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene commd2, Length 200 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
1M60.9Low74.4Confident130 Ų13086.6 Ų86.664%0.6445%0.445SS*.  0115.50179174.6-179.100105.5D81M1-D81 PolarHBondContact N-OD1 2.92Å; M1-D81 PolarHBondContact N-OD2 3.33Å
2L68.6Low74.9Confident94 Ų9483.4 Ų83.449%0.49243%0.427SS..  trans-73.4144.9-174.6-61.6174.2000110.9D81 D84L2-D81 HydrophobicContact CD2-CB 4.49Å; L2-D84 HydrophobicContact CD2-CB 3.58Å
3L74.8Confident75.4Confident19 Ų1977.1 Ų77.110%0.09939%0.394CS..  trans-70.7128.4173.9-162.689.1000108.8L5 L68 E71 L75 I77 S85L3-L5 HydrophobicContact CD2-CD1 4.16Å; L3-L5 HydrophobicContact CD2-CD2 3.5Å; L3-L5 HydrophobicContact CD2-CG 3.72Å; L3-L5 HydrophobicContact CG-CD2 4.35Å; L3-L5 HydrophobicContact CG-CG 4.45Å; L3-L68 HydrophobicContact CD2-CD1 3.5Å; L3-E71 HydrophobicContact CD1-CB 3.79Å; L3-L75 HydrophobicContact CD1-CD1 4.41Å; L3-I77 HydrophobicContact CB-CD1 3.82Å; L3-I77 HydrophobicContact CD1-CD1 3.41Å; L3-I77 VanDerWaalsContact CD1-CD1 3.41Å; L3-I77 HydrophobicContact CG-CD1 4.23Å; L3-S85 PolarHBondContact N-OG 3.16Å
4V72.4Confident75.6Confident130 Ų13074.6 Ų74.679%0.78840%0.397SS*.  trans-104.3102.6174.2-1780000107.9
5L74.6Confident75.8Confident14 Ų1471.5 Ų71.57%0.07338%0.379CS..  trans-83.2136.1174.6-65.6169.2000109.9L3 H9 K10 L13 Y67 L68 L89L3-L5 HydrophobicContact CD2-CD1 4.16Å; L3-L5 HydrophobicContact CD2-CD2 3.5Å; L3-L5 HydrophobicContact CD2-CG 3.72Å; L3-L5 HydrophobicContact CG-CD2 4.35Å; L3-L5 HydrophobicContact CG-CG 4.45Å; L5-H9 HydrophobicContact CD2-CB 4.36Å; L5-K10 HydrophobicContact CB-CG 4.02Å; L5-K10 VanDerWaalsContact O-CE 3.27Å; L5-K10 WeakPolarHBondContact O-CE 3.27Å; L5-L13 HydrophobicContact CD1-CD1 4.12Å; L5-Y67 HydrophobicContact CD2-CD1 3.98Å; L5-Y67 HydrophobicContact CD2-CE1 3.9Å; L5-L68 HydrophobicContact CD1-CD1 4.22Å; L5-L68 HydrophobicContact CD2-CD1 4.35Å; L5-L89 HydrophobicContact CD1-CD1 3.8Å; L5-L89 HydrophobicContact CD1-CD2 3.84Å; L5-L89 HydrophobicContact CD1-CG 4.23Å
6S76.7Confident76Confident50 Ų5067.1 Ų67.135%0.3536%0.355SS..  trans-67.6159.616862.60000110.4E8 H9 K10S6-E8 VanDerWaalsContact C-N 3.29Å; S6-E8 PolarHBondContact O-N 3.3Å; S6-H9 PolarHBondContact O-N 3.27Å; S6-H9 VanDerWaalsContact O-N 3.14Å; S6-H9 PolarHBondContact OG-ND1 2.99Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 3.38Å; S6-K10 VanDerWaalsContact O-N 3.11Å
7D74.9Confident76.2Confident110 Ų11066.6 Ų66.659%0.58836%0.358SS*.Hα-helixtrans-64.3-35.4-176.4-61.8-33.9000112H9 K10 E11D7-H9 PolarHBondContact O-N 3.12Å; D7-K10 WeakPolarHBondContact O-CB 3.37Å; D7-K10 PolarHBondContact O-N 3.25Å; D7-K10 VanDerWaalsContact O-N 3.15Å; D7-K10 IonicContact OD1-NZ 2.83Å; D7-K10 PolarHBondContact OD1-NZ 3.25Å; D7-E11 WeakPolarHBondContact O-CG 3.01Å; D7-E11 PolarHBondContact O-N 3.26Å
8E77.5Confident76.4Confident137 Ų13772.4 Ų72.464%0.6438%0.382SS*.Hα-helixtrans-57.8-44.2171.3-64.6172.9178.500112.7S6 K10 E11 H12S6-E8 VanDerWaalsContact C-N 3.29Å; S6-E8 PolarHBondContact O-N 3.3Å; E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 2.98Å; E8-E11 WeakPolarHBondContact O-CB 3.37Å; E8-E11 PolarHBondContact O-N 2.87Å; E8-H12 PolarHBondContact O-CD2 3.35Å; E8-H12 PolarHBondContact O-N 3.22Å
9H77.9Confident76.5Confident39 Ų3970.2 Ų70.218%0.18137%0.371CS..Hα-helixtrans-69.7-30.4178.1-68.7121.2000112.3L5 S6 D7 H12 L13 Y67L5-H9 HydrophobicContact CD2-CB 4.36Å; S6-H9 PolarHBondContact O-N 3.27Å; S6-H9 VanDerWaalsContact O-N 3.14Å; S6-H9 PolarHBondContact OG-ND1 2.99Å; D7-H9 PolarHBondContact O-N 3.12Å; H9-H12 PolarHBondContact O-N 3.27Å; H9-L13 VanDerWaalsContact O-CG 3.26Å; H9-L13 WeakPolarHBondContact O-CG 3.41Å; H9-L13 PolarHBondContact O-N 3.38Å; H9-L13 VanDerWaalsContact O-N 3.09Å; H9-Y67 HydrophobicContact CB-CD1 4.43Å; H9-Y67 AromaticContact CD2-CD1 3.8Å; H9-Y67 AromaticContact CD2-CG 3.83Å; H9-Y67 AromaticContact CE1-CD1 3.7Å; H9-Y67 AromaticContact CE1-CD2 3.73Å; H9-Y67 AromaticContact CE1-CE1 3.58Å; H9-Y67 AromaticContact CE1-CE2 3.63Å; H9-Y67 AromaticContact CE1-CG 3.76Å; H9-Y67 AromaticContact CE1-CZ 3.54Å; H9-Y67 AromaticContact CG-CD1 3.73Å; H9-Y67 AromaticContact CG-CE1 3.97Å; H9-Y67 AromaticContact ND1-CD1 3.66Å; H9-Y67 AromaticContact ND1-CE1 3.45Å; H9-Y67 WeakPolarHBondContact ND1-CE1 3.46Å; H9-Y67 AromaticContact ND1-CZ 3.8Å; H9-Y67 AromaticContact NE2-CD1 3.78Å; H9-Y67 AromaticContact NE2-CD2 3.65Å; H9-Y67 AromaticContact NE2-CG 3.51Å
10K79.4Confident76.8Confident81 Ų8171.7 Ų71.735%0.35238%0.38SS..Hα-helixtrans-68.4-38.7173.2-63.6175.9-164.11510111L5 S6 D7 E8 L13 G14 L89L5-K10 HydrophobicContact CB-CG 4.02Å; L5-K10 VanDerWaalsContact O-CE 3.27Å; L5-K10 WeakPolarHBondContact O-CE 3.27Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 3.38Å; S6-K10 VanDerWaalsContact O-N 3.11Å; D7-K10 WeakPolarHBondContact O-CB 3.37Å; D7-K10 PolarHBondContact O-N 3.25Å; D7-K10 VanDerWaalsContact O-N 3.15Å; D7-K10 IonicContact OD1-NZ 2.83Å; D7-K10 PolarHBondContact OD1-NZ 3.25Å; E8-K10 VanDerWaalsContact C-N 3.31Å; E8-K10 PolarHBondContact O-N 2.98Å; K10-L13 PolarHBondContact O-N 3.28Å; K10-G14 WeakPolarHBondContact O-CA 3.37Å; K10-G14 PolarHBondContact O-N 3.47Å; K10-L89 HydrophobicContact CB-CD2 4.37Å; K10-L89 HydrophobicContact CG-CD2 3.88Å
11E80.4Confident76.8Confident149 Ų14970.8 Ų70.870%0.69638%0.379SS*.Hα-helixtrans-62.8-45173.7-71.8178.4179.700111.2D7 E8 L13 G14D7-E11 WeakPolarHBondContact O-CG 3.01Å; D7-E11 PolarHBondContact O-N 3.26Å; E8-E11 WeakPolarHBondContact O-CB 3.37Å; E8-E11 PolarHBondContact O-N 2.87Å; E11-L13 PolarHBondContact O-N 3Å; E11-G14 PolarHBondContact O-N 2.96Å
12H80.4Confident77.8Confident48 Ų4867.5 Ų67.522%0.22237%0.373CS..Hα-helixtrans-61.9-30.5176.4-72-170.2000113.4E8 H9 F15 H60E8-H12 PolarHBondContact O-CD2 3.35Å; E8-H12 PolarHBondContact O-N 3.22Å; H9-H12 PolarHBondContact O-N 3.27Å; H12-F15 WeakPolarHBondContact O-CD1 3.23Å; H12-F15 WeakPolarHBondContact O-CE1 3.38Å; H12-H60 HydrophobicContact CB-CB 4.23Å; H12-H60 AromaticContact CD2-CG 3.98Å; H12-H60 AromaticContact CE1-CD2 3.77Å; H12-H60 AromaticContact NE2-CD2 3.67Å
13L81.2Confident78.4Confident1 Ų164.2 Ų64.21%0.00536%0.356CS..Hα-helixtrans-91.1-12176.4-62.9170.2000112.7L5 H9 K10 E11 F15 L16 L65 L68 L89 F91L5-L13 HydrophobicContact CD1-CD1 4.12Å; H9-L13 VanDerWaalsContact O-CG 3.26Å; H9-L13 WeakPolarHBondContact O-CG 3.41Å; H9-L13 PolarHBondContact O-N 3.38Å; H9-L13 VanDerWaalsContact O-N 3.09Å; K10-L13 PolarHBondContact O-N 3.28Å; E11-L13 PolarHBondContact O-N 3Å; L13-F15 PolarHBondContact O-N 3.28Å; L13-L16 HydrophobicContact CB-CD1 4.17Å; L13-L16 HydrophobicContact CD2-CD1 3.55Å; L13-L16 HydrophobicContact CG-CD1 4.49Å; L13-L16 WeakPolarHBondContact O-CB 3.5Å; L13-L16 WeakPolarHBondContact O-CG 3.39Å; L13-L16 PolarHBondContact O-N 3.45Å; L13-L16 VanDerWaalsContact O-N 3.13Å; L13-L65 HydrophobicContact CD2-CD2 4.14Å; L13-L65 HydrophobicContact CD2-CG 4.31Å; L13-L68 HydrophobicContact CD1-CD1 4.5Å; L13-L89 HydrophobicContact CD1-CD1 4.06Å; L13-F91 HydrophobicContact CB-CZ 3.85Å; L13-F91 WeakPolarHBondContact O-CZ 3.49Å
14G78Confident78.9Confident42 Ų4263.3 Ų63.343%0.43335%0.352SS..THydrogen-bonded Turntrans-66.9-20.9-170.800000114.7K10 E11 P17K10-G14 WeakPolarHBondContact O-CA 3.37Å; K10-G14 PolarHBondContact O-N 3.47Å; E11-G14 PolarHBondContact O-N 2.96Å; G14-P17 WeakPolarHBondContact O-CD 3.37Å
15F79.2Confident79.4Confident29 Ų2957.7 Ų57.713%0.12732%0.32CS..THydrogen-bonded Turntrans-88.4-12.7177.378.7-93.1000113.4H12 L13 P17 E18 V19 F27 T57 H60 G61H12-F15 WeakPolarHBondContact O-CD1 3.23Å; H12-F15 WeakPolarHBondContact O-CE1 3.38Å; L13-F15 PolarHBondContact O-N 3.28Å; F15-P17 VanDerWaalsContact C-N 3.29Å; F15-E18 WeakPolarHBondContact O-CB 3.3Å; F15-E18 PolarHBondContact O-N 3.44Å; F15-V19 HydrophobicContact CD2-CG2 3.86Å; F15-V19 HydrophobicContact CE2-CG2 4.18Å; F15-F27 HydrophobicContact CE2-CE2 4.04Å; F15-T57 HydrophobicContact CD1-CG2 4.15Å; F15-T57 HydrophobicContact CD2-CG2 3.53Å; F15-T57 HydrophobicContact CE1-CG2 4.03Å; F15-T57 WeakPolarHBondContact CE1-O 3.45Å; F15-T57 HydrophobicContact CE2-CG2 3.45Å; F15-T57 VanDerWaalsContact CE2-CG2 3.45Å; F15-T57 HydrophobicContact CG-CG2 3.89Å; F15-T57 HydrophobicContact CZ-CG2 3.68Å; F15-T57 WeakPolarHBondContact CZ-O 3.36Å; F15-H60 HydrophobicContact CE1-CB 4.36Å; F15-G61 VanDerWaalsContact CE1-CA 3.47Å
16L79.1Confident79.9Confident0 Ų061 Ų610%034%0.335CS..G310 helixtrans-55.6-34.7-179.5-66.8177.8000114L13 E18 V19 V24 F27 L65 F91 L95L13-L16 HydrophobicContact CB-CD1 4.17Å; L13-L16 HydrophobicContact CD2-CD1 3.55Å; L13-L16 HydrophobicContact CG-CD1 4.49Å; L13-L16 WeakPolarHBondContact O-CB 3.5Å; L13-L16 WeakPolarHBondContact O-CG 3.39Å; L13-L16 PolarHBondContact O-N 3.45Å; L13-L16 VanDerWaalsContact O-N 3.13Å; L16-E18 VanDerWaalsContact C-N 3.26Å; L16-E18 PolarHBondContact O-N 3.01Å; L16-V19 PolarHBondContact O-N 2.94Å; L16-V24 HydrophobicContact CD2-CG1 4.32Å; L16-V24 HydrophobicContact CD2-CG2 4.22Å; L16-F27 HydrophobicContact CD2-CD2 4.19Å; L16-L65 HydrophobicContact CD1-CD2 4.05Å; L16-L65 HydrophobicContact CD1-CG 4.45Å; L16-F91 HydrophobicContact CD1-CE2 4.46Å; L16-F91 HydrophobicContact CD1-CZ 4.46Å; L16-L95 HydrophobicContact CB-CD1 4.22Å
17P80.2Confident80.4Confident60 Ų6058.6 Ų58.639%0.3932%0.319SS..G310 helixtrans-67.8-20.4174.4-23.236.8000114.9G14 F15 V19 F91G14-P17 WeakPolarHBondContact O-CD 3.37Å; F15-P17 VanDerWaalsContact C-N 3.29Å; P17-V19 VanDerWaalsContact C-N 3.29Å; P17-F91 HydrophobicContact CG-CD1 3.37Å; P17-F91 HydrophobicContact CG-CE1 3.7Å; P17-F91 HydrophobicContact CG-CG 4.36Å
18E79.8Confident80.9Confident170 Ų17053.3 Ų53.379%0.79429%0.291SS*.G310 helixtrans-81.3-14.3-179.6-56.7-173.8166.200112.3F15 L16F15-E18 WeakPolarHBondContact O-CB 3.3Å; F15-E18 PolarHBondContact O-N 3.44Å; L16-E18 VanDerWaalsContact C-N 3.26Å; L16-E18 PolarHBondContact O-N 3.01Å
19V78.2Confident81.4Confident30 Ų3054.4 Ų54.418%0.18229%0.289CS..SBendtrans-107.7146.8-175.7-159.30000110F15 L16 P17 S21 V23F15-V19 HydrophobicContact CD2-CG2 3.86Å; F15-V19 HydrophobicContact CE2-CG2 4.18Å; L16-V19 PolarHBondContact O-N 2.94Å; P17-V19 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 3.23Å; V19-V23 HydrophobicContact CG1-CB 3.53Å; V19-V23 HydrophobicContact CG1-CG1 3.47Å; V19-V23 VanDerWaalsContact CG1-CG1 3.47Å; V19-V23 HydrophobicContact CG1-CG2 3.97Å
20D80.9Confident81.8Confident101 Ų10153.4 Ų53.454%0.5429%0.285SS..  trans-57.4138.9177-172.7-6000111.5A22 V23 V24D20-A22 PolarHBondContact O-N 3.13Å; D20-A22 VanDerWaalsContact O-N 3.08Å; D20-A22 PolarHBondContact OD1-N 2.92Å; D20-V23 HydrophobicContact CB-CG2 4.23Å; D20-V23 WeakPolarHBondContact O-CA 3.39Å; D20-V23 VanDerWaalsContact O-CB 3.31Å; D20-V23 WeakPolarHBondContact O-CB 3.26Å; D20-V23 PolarHBondContact O-N 3.48Å; D20-V24 PolarHBondContact O-N 3.43Å; D20-V24 VanDerWaalsContact O-N 3.15Å
21S78.4Confident82.3Confident52 Ų5249.6 Ų49.636%0.36427%0.268SS..Hα-helixtrans-43.7-38.2172.663.10000113.8V19 V23 V24 G25 L98V19-S21 PolarHBondContact O-N 3.23Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.43Å; S21-V24 PolarHBondContact O-N 3.04Å; S21-G25 PolarHBondContact O-N 3.37Å; S21-L98 WeakPolarHBondContact O-CD2 3.47Å
22A80.9Confident82.7Confident62 Ų6242.9 Ų42.951%0.51224%0.237SC..Hα-helixtrans-63.6-37.3177.500000112.4D20 G25 E26D20-A22 PolarHBondContact O-N 3.13Å; D20-A22 VanDerWaalsContact O-N 3.08Å; D20-A22 PolarHBondContact OD1-N 2.92Å; A22-G25 PolarHBondContact O-N 3.47Å; A22-E26 PolarHBondContact O-N 3.01Å
23V82.2Confident83.1Confident24 Ų2444 Ų4415%0.14524%0.243CC..Hα-helixtrans-73.8-39.4178.9-179.80000111V19 D20 S21 G25 E26 F27 L51V19-V23 HydrophobicContact CG1-CB 3.53Å; V19-V23 HydrophobicContact CG1-CG1 3.47Å; V19-V23 VanDerWaalsContact CG1-CG1 3.47Å; V19-V23 HydrophobicContact CG1-CG2 3.97Å; D20-V23 HydrophobicContact CB-CG2 4.23Å; D20-V23 WeakPolarHBondContact O-CA 3.39Å; D20-V23 VanDerWaalsContact O-CB 3.31Å; D20-V23 WeakPolarHBondContact O-CB 3.26Å; D20-V23 PolarHBondContact O-N 3.48Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.43Å; V23-G25 PolarHBondContact O-N 2.89Å; V23-E26 WeakPolarHBondContact O-CB 3.34Å; V23-E26 PolarHBondContact O-N 2.84Å; V23-F27 HydrophobicContact CG1-CD2 4.26Å; V23-F27 HydrophobicContact CG1-CE1 4.08Å; V23-F27 HydrophobicContact CG1-CE2 3.67Å; V23-F27 HydrophobicContact CG1-CZ 3.56Å; V23-F27 WeakPolarHBondContact O-CG 3.39Å; V23-F27 PolarHBondContact O-N 3.02Å; V23-L51 HydrophobicContact CB-CD2 4.06Å; V23-L51 HydrophobicContact CG1-CB 4.4Å; V23-L51 HydrophobicContact CG1-CD1 3.58Å; V23-L51 HydrophobicContact CG1-CD2 3.48Å; V23-L51 VanDerWaalsContact CG1-CD2 3.48Å; V23-L51 HydrophobicContact CG1-CG 3.99Å; V23-L51 HydrophobicContact CG2-CD2 3.67Å
24V83.5Confident83.5Confident0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-60.7-37.3173.4-179.80000110.7L16 D20 S21 E26 F27 G28 L95 L98L16-V24 HydrophobicContact CD2-CG1 4.32Å; L16-V24 HydrophobicContact CD2-CG2 4.22Å; D20-V24 PolarHBondContact O-N 3.43Å; D20-V24 VanDerWaalsContact O-N 3.15Å; S21-V24 PolarHBondContact O-N 3.04Å; V24-E26 PolarHBondContact O-N 3.33Å; V24-F27 PolarHBondContact O-N 2.82Å; V24-G28 PolarHBondContact O-N 3.17Å; V24-L95 HydrophobicContact CG1-CD1 4.32Å; V24-L95 HydrophobicContact CG1-CG 4.29Å; V24-L95 HydrophobicContact CG2-CD1 3.98Å; V24-L98 HydrophobicContact CB-CD2 4.26Å; V24-L98 HydrophobicContact CG1-CD2 4.23Å
25G83.3Confident83.9Confident13 Ų1343.9 Ų43.913%0.13423%0.232CC..Hα-helixtrans-60.2-41.5171.700000113.1S21 A22 V23 G28 R29S21-G25 PolarHBondContact O-N 3.37Å; A22-G25 PolarHBondContact O-N 3.47Å; V23-G25 PolarHBondContact O-N 2.89Å; G25-G28 PolarHBondContact O-N 3.43Å; G25-R29 WeakPolarHBondContact O-CG 3.32Å; G25-R29 PolarHBondContact O-N 2.68Å
26E85.3Confident84.2Confident82 Ų8248.6 Ų48.638%0.38325%0.248SC..Hα-helixtrans-67.1-40.7174.4-69.7-60.9138.200112.3A22 V23 V24 G28 R29 I30A22-E26 PolarHBondContact O-N 3.01Å; V23-E26 WeakPolarHBondContact O-CB 3.34Å; V23-E26 PolarHBondContact O-N 2.84Å; V24-E26 PolarHBondContact O-N 3.33Å; E26-G28 VanDerWaalsContact C-N 3.32Å; E26-G28 PolarHBondContact O-N 3.26Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-R29 IonicContact OE1-CZ 3.69Å; E26-R29 IonicContact OE1-NH1 2.7Å; E26-R29 PolarHBondContact OE1-NH1 3.45Å; E26-I30 WeakPolarHBondContact O-CG1 3.41Å; E26-I30 PolarHBondContact O-N 2.89Å
27F87.1Confident84.4Confident0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-61-41.7172.8-63.1-30.2000112F15 L16 V23 V24 R29 I30 A31 L51 V58 V62 L65F15-F27 HydrophobicContact CE2-CE2 4.04Å; L16-F27 HydrophobicContact CD2-CD2 4.19Å; V23-F27 HydrophobicContact CG1-CD2 4.26Å; V23-F27 HydrophobicContact CG1-CE1 4.08Å; V23-F27 HydrophobicContact CG1-CE2 3.67Å; V23-F27 HydrophobicContact CG1-CZ 3.56Å; V23-F27 WeakPolarHBondContact O-CG 3.39Å; V23-F27 PolarHBondContact O-N 3.02Å; V24-F27 PolarHBondContact O-N 2.82Å; F27-R29 VanDerWaalsContact C-N 3.35Å; F27-R29 PolarHBondContact O-N 3.14Å; F27-I30 PolarHBondContact O-N 2.65Å; F27-A31 WeakPolarHBondContact O-CB 3.49Å; F27-A31 PolarHBondContact O-N 3.13Å; F27-L51 HydrophobicContact CD1-CD1 4.11Å; F27-L51 HydrophobicContact CE1-CD1 3.26Å; F27-L51 HydrophobicContact CZ-CD1 3.76Å; F27-V58 HydrophobicContact CD1-CG1 4.2Å; F27-V58 HydrophobicContact CE1-CB 4.22Å; F27-V58 HydrophobicContact CE1-CG1 3.75Å; F27-V58 HydrophobicContact CE1-CG2 3.85Å; F27-V58 HydrophobicContact CZ-CG2 4.05Å; F27-V62 HydrophobicContact CB-CG2 4.21Å; F27-V62 HydrophobicContact CD1-CG2 4.21Å; F27-V62 HydrophobicContact CG-CG2 4.48Å; F27-L65 HydrophobicContact CB-CD1 3.67Å
28G85.8Confident84.5Confident0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-60.8-41.3174.200000112.7V24 G25 E26 A31 V32V24-G28 PolarHBondContact O-N 3.17Å; G25-G28 PolarHBondContact O-N 3.43Å; E26-G28 VanDerWaalsContact C-N 3.32Å; E26-G28 PolarHBondContact O-N 3.26Å; G28-A31 PolarHBondContact O-N 3.04Å; G28-V32 WeakPolarHBondContact O-CG2 3.31Å; G28-V32 PolarHBondContact O-N 3.12Å
29R87.1Confident84.8Confident159 Ų15951.4 Ų51.460%0.627%0.271SS*.Hα-helixtrans-63.5-45.4175-73.9173.4179.2171.6-0.1112.2G25 E26 F27 A31 V32 E33G25-R29 WeakPolarHBondContact O-CG 3.32Å; G25-R29 PolarHBondContact O-N 2.68Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-R29 IonicContact OE1-CZ 3.69Å; E26-R29 IonicContact OE1-NH1 2.7Å; E26-R29 PolarHBondContact OE1-NH1 3.45Å; F27-R29 VanDerWaalsContact C-N 3.35Å; F27-R29 PolarHBondContact O-N 3.14Å; R29-A31 VanDerWaalsContact C-N 3.33Å; R29-V32 PolarHBondContact O-N 3.39Å; R29-E33 PolarHBondContact O-N 2.94Å
30I87.9Confident85.1Confident19 Ų1953.2 Ų53.210%0.09728%0.28CS..Hα-helixtrans-62.4-43.2177-65.2166.3000110.2E26 F27 V32 E33 F34 I43 A47 V62E26-I30 WeakPolarHBondContact O-CG1 3.41Å; E26-I30 PolarHBondContact O-N 2.89Å; F27-I30 PolarHBondContact O-N 2.65Å; I30-V32 PolarHBondContact O-N 2.95Å; I30-E33 PolarHBondContact O-N 3.32Å; I30-F34 HydrophobicContact CG2-CD1 4.39Å; I30-F34 HydrophobicContact CG2-CD2 4.05Å; I30-F34 HydrophobicContact CG2-CE1 4.03Å; I30-F34 HydrophobicContact CG2-CE2 3.63Å; I30-F34 HydrophobicContact CG2-CG 4.41Å; I30-F34 HydrophobicContact CG2-CZ 3.65Å; I30-F34 WeakPolarHBondContact O-CG 3.38Å; I30-F34 PolarHBondContact O-N 3Å; I30-I43 HydrophobicContact CD1-CG2 4.4Å; I30-I43 HydrophobicContact CG1-CG2 4.35Å; I30-I43 HydrophobicContact CG2-CG2 3.89Å; I30-A47 HydrophobicContact CD1-CB 3.84Å; I30-V62 HydrophobicContact CB-CG2 4.27Å; I30-V62 HydrophobicContact CG2-CG1 3.98Å; I30-V62 HydrophobicContact CG2-CG2 4.05Å
31A89.6Confident85.2Confident0 Ų052.8 Ų52.80%028%0.282CS..Hα-helixtrans-58.3-47.4176.900000111.7F27 G28 R29 E33 F34 L35 V62 L65 M66F27-A31 WeakPolarHBondContact O-CB 3.49Å; F27-A31 PolarHBondContact O-N 3.13Å; G28-A31 PolarHBondContact O-N 3.04Å; R29-A31 VanDerWaalsContact C-N 3.33Å; A31-E33 PolarHBondContact O-N 3.42Å; A31-F34 PolarHBondContact O-N 3.38Å; A31-L35 WeakPolarHBondContact O-CG 3.47Å; A31-L35 PolarHBondContact O-N 3.4Å; A31-V62 HydrophobicContact CB-CG1 4.18Å; A31-L65 HydrophobicContact CB-CB 3.99Å; A31-M66 HydrophobicContact CB-CG 3.63Å
32V88Confident85.5Confident9 Ų958.2 Ų58.26%0.05530%0.3CS..Hα-helixtrans-63.4-41.4175.9173.50000111.4G28 R29 I30 F34 L35 R36 L69 N106G28-V32 WeakPolarHBondContact O-CG2 3.31Å; G28-V32 PolarHBondContact O-N 3.12Å; R29-V32 PolarHBondContact O-N 3.39Å; I30-V32 PolarHBondContact O-N 2.95Å; V32-F34 VanDerWaalsContact C-N 3.33Å; V32-F34 PolarHBondContact O-N 3.2Å; V32-L35 PolarHBondContact O-N 2.96Å; V32-R36 WeakPolarHBondContact O-CG 3.42Å; V32-R36 PolarHBondContact O-N 3.32Å; V32-R36 VanDerWaalsContact O-N 3.11Å; V32-L69 HydrophobicContact CG2-CD1 3.95Å; V32-N106 HydrophobicContact CG1-CB 4.43Å; V32-N106 HydrophobicContact CG2-CB 4.17Å
33E88.9Confident85.6Confident71 Ų7157.8 Ų57.833%0.33229%0.288SS..Hα-helixtrans-63.2-39.4177.2-173.9170.5-158.700112.2R29 I30 A31 R36 K37R29-E33 PolarHBondContact O-N 2.94Å; I30-E33 PolarHBondContact O-N 3.32Å; A31-E33 PolarHBondContact O-N 3.42Å; E33-R36 PolarHBondContact O-N 3.49Å; E33-R36 VanDerWaalsContact O-N 3.16Å; E33-K37 HydrophobicContact CG-CD 4.11Å; E33-K37 PolarHBondContact O-N 3.3Å; E33-K37 IonicContact OE1-NZ 3.3Å; E33-K37 PolarHBondContact OE1-NZ 2.98Å
34F89.3Confident85.7Confident6 Ų657.6 Ų57.63%0.02629%0.285CS..Hα-helixtrans-67.8-35.5175.5-73.8-5.5000113I30 A31 V32 R36 G38 T39 N40 I43 Y44 V62 M66I30-F34 HydrophobicContact CG2-CD1 4.39Å; I30-F34 HydrophobicContact CG2-CD2 4.05Å; I30-F34 HydrophobicContact CG2-CE1 4.03Å; I30-F34 HydrophobicContact CG2-CE2 3.63Å; I30-F34 HydrophobicContact CG2-CG 4.41Å; I30-F34 HydrophobicContact CG2-CZ 3.65Å; I30-F34 WeakPolarHBondContact O-CG 3.38Å; I30-F34 PolarHBondContact O-N 3Å; A31-F34 PolarHBondContact O-N 3.38Å; V32-F34 VanDerWaalsContact C-N 3.33Å; V32-F34 PolarHBondContact O-N 3.2Å; F34-R36 PolarHBondContact O-N 2.89Å; F34-G38 WeakPolarHBondContact CD1-O 3.35Å; F34-G38 CarbonylContact O-C 3.54Å; F34-G38 WeakPolarHBondContact O-CA 3.44Å; F34-G38 PolarHBondContact O-N 3.32Å; F34-T39 HydrophobicContact CB-CG2 4.41Å; F34-T39 HydrophobicContact CD2-CG2 4.15Å; F34-T39 HydrophobicContact CG-CG2 4.39Å; F34-N40 HydrophobicContact CE1-CB 4.31Å; F34-I43 HydrophobicContact CE1-CB 4.02Å; F34-I43 HydrophobicContact CE1-CD1 3.87Å; F34-I43 HydrophobicContact CE1-CG1 4.48Å; F34-I43 HydrophobicContact CE1-CG2 4.03Å; F34-I43 HydrophobicContact CZ-CB 3.84Å; F34-I43 HydrophobicContact CZ-CG2 3.83Å; F34-Y44 HydrophobicContact CD2-CE1 4.4Å; F34-Y44 HydrophobicContact CE2-CD1 4.2Å; F34-Y44 AromaticContact CE2-CE1 3.46Å; F34-Y44 HydrophobicContact CE2-CE1 3.46Å; F34-Y44 VanDerWaalsContact CE2-CE1 3.46Å; F34-Y44 HydrophobicContact CE2-CE2 4.13Å; F34-Y44 AromaticContact CE2-CZ 3.42Å; F34-Y44 VanDerWaalsContact CE2-CZ 3.42Å; F34-Y44 WeakPolarHBondContact CE2-OH 3.38Å; F34-Y44 HydrophobicContact CZ-CE1 4.23Å; F34-V62 HydrophobicContact CD2-CG1 3.7Å; F34-V62 HydrophobicContact CE2-CG1 3.89Å; F34-M66 HydrophobicContact CB-CE 3.81Å; F34-M66 HydrophobicContact CB-SD 3.68Å; F34-M66 HydrophobicContact CD2-SD 3.89Å; F34-M66 HydrophobicContact CG-SD 4.33Å
35L86.4Confident85.7Confident35 Ų3562.6 Ų62.618%0.18331%0.309CS..Hα-helixtrans-62.9-32.5171.6-69172.5000111.8A31 V32 M66 L69 T70 I110A31-L35 WeakPolarHBondContact O-CG 3.47Å; A31-L35 PolarHBondContact O-N 3.4Å; V32-L35 PolarHBondContact O-N 2.96Å; L35-M66 HydrophobicContact CD2-CB 4.39Å; L35-M66 HydrophobicContact CD2-CE 3.86Å; L35-M66 HydrophobicContact CD2-CG 4.47Å; L35-M66 HydrophobicContact CG-CE 4.24Å; L35-M66 HydrophobicContact CG-CG 4.27Å; L35-L69 HydrophobicContact CD1-CB 4.35Å; L35-T70 VanDerWaalsContact CD2-OG1 3.32Å; L35-T70 WeakPolarHBondContact CD2-OG1 3.43Å; L35-I110 HydrophobicContact CD1-CD1 3.8Å; L35-I110 HydrophobicContact CD1-CG1 4.03Å
36R85.6Confident85.8Confident127 Ų12763.6 Ų63.648%0.47932%0.318SS..Hα-helixtrans-80.5-43.7178.8-67174.8-172.9-171.31.2114V32 E33 F34 E109 I113V32-R36 WeakPolarHBondContact O-CG 3.42Å; V32-R36 PolarHBondContact O-N 3.32Å; V32-R36 VanDerWaalsContact O-N 3.11Å; E33-R36 PolarHBondContact O-N 3.49Å; E33-R36 VanDerWaalsContact O-N 3.16Å; F34-R36 PolarHBondContact O-N 2.89Å; R36-E109 WeakPolarHBondContact CD-OE1 3.49Å; R36-E109 VanDerWaalsContact CZ-CD 3.43Å; R36-E109 IonicContact CZ-OE1 3.69Å; R36-E109 IonicContact CZ-OE2 3.77Å; R36-E109 IonicContact NE-OE1 3.68Å; R36-E109 PolarHBondContact NE-OE1 3.18Å; R36-E109 IonicContact NE-OE2 3.83Å; R36-E109 PolarHBondContact NE-OE2 3.23Å; R36-E109 IonicContact NH1-OE1 3.63Å; R36-E109 IonicContact NH2-OE1 3.43Å; R36-E109 PolarHBondContact NH2-OE1 2.75Å; R36-E109 IonicContact NH2-OE2 3.08Å; R36-E109 PolarHBondContact NH2-OE2 3.35Å; R36-I113 HydrophobicContact CB-CD1 4.44Å; R36-I113 HydrophobicContact CG-CD1 3.9Å
37K84.6Confident85.6Confident159 Ų15960.1 Ų60.169%0.69130%0.304SS*.Hα-helixtrans-115.9-6.8-166.9-62.8179.9-171.7164.90114.4E33E33-K37 HydrophobicContact CG-CD 4.11Å; E33-K37 PolarHBondContact O-N 3.3Å; E33-K37 IonicContact OE1-NZ 3.3Å; E33-K37 PolarHBondContact OE1-NZ 2.98Å
38G81.3Confident85.5Confident41 Ų4160.6 Ų60.642%0.42331%0.308SS..  trans88.5161.9-170.700000113.3F34F34-G38 WeakPolarHBondContact CD1-O 3.35Å; F34-G38 CarbonylContact O-C 3.54Å; F34-G38 WeakPolarHBondContact O-CA 3.44Å; F34-G38 PolarHBondContact O-N 3.32Å
39T85.6Confident85.4Confident90 Ų9070.2 Ų70.255%0.55234%0.344SS*.  trans-73135.6-176.851.60000112.1F34 M66F34-T39 HydrophobicContact CB-CG2 4.41Å; F34-T39 HydrophobicContact CD2-CG2 4.15Å; F34-T39 HydrophobicContact CG-CG2 4.39Å; T39-M66 HydrophobicContact CG2-CE 4.22Å
40N85.1Confident85.1Confident68 Ų6871.2 Ų71.236%0.36435%0.353SS..  trans-127.5113.4175.6-175.5-11000111.3F34 K42 I43F34-N40 HydrophobicContact CE1-CB 4.31Å; N40-K42 PolarHBondContact O-N 3.08Å; N40-K42 VanDerWaalsContact O-N 3.09Å; N40-K42 PolarHBondContact OD1-N 3.01Å; N40-K42 VanDerWaalsContact OD1-N 3.15Å; N40-I43 HydrophobicContact CB-CD1 4.1Å; N40-I43 HydrophobicContact CB-CG1 4.28Å; N40-I43 PolarHBondContact O-N 3.49Å
41P83.1Confident84.6Confident91 Ų9172.5 Ų72.559%0.59136%0.36SS*.Hα-helixtrans-56.8-30.1-177.2-25.933.9000114.6I43 Y44 E45P41-I43 PolarHBondContact O-N 3.15Å; P41-Y44 WeakPolarHBondContact O-CB 3.48Å; P41-Y44 PolarHBondContact O-N 3.4Å; P41-E45 PolarHBondContact O-N 2.85Å
42K84.6Confident84Confident166 Ų16678 Ų7872%0.72240%0.398SS*.Hα-helixtrans-67.3-26.2-179.3-63.7-177.3179.1179.50113.1N40 G46N40-K42 PolarHBondContact O-N 3.08Å; N40-K42 VanDerWaalsContact O-N 3.09Å; N40-K42 PolarHBondContact OD1-N 3.01Å; N40-K42 VanDerWaalsContact OD1-N 3.15Å; K42-G46 PolarHBondContact O-N 3Å; K42-G46 VanDerWaalsContact O-N 3.08Å
43I83.3Confident83.6Confident54 Ų5479.3 Ų79.328%0.27741%0.406SS..Hα-helixtrans-74.4-33.9179.7-68.5177.7000110.1I30 F34 N40 P41 G46 A47I30-I43 HydrophobicContact CD1-CG2 4.4Å; I30-I43 HydrophobicContact CG1-CG2 4.35Å; I30-I43 HydrophobicContact CG2-CG2 3.89Å; F34-I43 HydrophobicContact CE1-CB 4.02Å; F34-I43 HydrophobicContact CE1-CD1 3.87Å; F34-I43 HydrophobicContact CE1-CG1 4.48Å; F34-I43 HydrophobicContact CE1-CG2 4.03Å; F34-I43 HydrophobicContact CZ-CB 3.84Å; F34-I43 HydrophobicContact CZ-CG2 3.83Å; N40-I43 HydrophobicContact CB-CD1 4.1Å; N40-I43 HydrophobicContact CB-CG1 4.28Å; N40-I43 PolarHBondContact O-N 3.49Å; P41-I43 PolarHBondContact O-N 3.15Å; I43-G46 PolarHBondContact O-N 3.06Å; I43-A47 WeakPolarHBondContact O-CB 3.27Å; I43-A47 PolarHBondContact O-N 3.23Å
44Y84.4Confident83.4Confident19 Ų1980.6 Ų80.68%0.07542%0.415CS..Hα-helixtrans-60.1-50.7171.9-64-52.7000111.5F34 P41 G46 A47 A48 V58 Q59 V62F34-Y44 HydrophobicContact CD2-CE1 4.4Å; F34-Y44 HydrophobicContact CE2-CD1 4.2Å; F34-Y44 AromaticContact CE2-CE1 3.46Å; F34-Y44 HydrophobicContact CE2-CE1 3.46Å; F34-Y44 VanDerWaalsContact CE2-CE1 3.46Å; F34-Y44 HydrophobicContact CE2-CE2 4.13Å; F34-Y44 AromaticContact CE2-CZ 3.42Å; F34-Y44 VanDerWaalsContact CE2-CZ 3.42Å; F34-Y44 WeakPolarHBondContact CE2-OH 3.38Å; F34-Y44 HydrophobicContact CZ-CE1 4.23Å; P41-Y44 WeakPolarHBondContact O-CB 3.48Å; P41-Y44 PolarHBondContact O-N 3.4Å; Y44-G46 VanDerWaalsContact C-N 3.3Å; Y44-G46 PolarHBondContact O-N 3.37Å; Y44-A47 PolarHBondContact O-N 3.43Å; Y44-A48 VanDerWaalsContact O-CB 3.28Å; Y44-A48 WeakPolarHBondContact O-CB 3.49Å; Y44-A48 PolarHBondContact O-N 2.7Å; Y44-V58 HydrophobicContact CD1-CG1 4.17Å; Y44-Q59 HydrophobicContact CD1-CB 4.22Å; Y44-Q59 HydrophobicContact CD2-CG 4.46Å; Y44-Q59 HydrophobicContact CE1-CB 4.18Å; Y44-Q59 HydrophobicContact CE1-CG 4.24Å; Y44-Q59 HydrophobicContact CE2-CG 4.05Å; Y44-Q59 HydrophobicContact CG-CB 4.41Å; Y44-V62 HydrophobicContact CE1-CB 3.91Å; Y44-V62 HydrophobicContact CE1-CG1 3.95Å; Y44-V62 HydrophobicContact CE1-CG2 4.3Å
45E84.3Confident83.2Confident106 Ų10682 Ų8250%0.49543%0.428SS..Hα-helixtrans-61.6-38.5177.8-66.4-178.1-170.700112.5P41 R49P41-E45 PolarHBondContact O-N 2.85Å; E45-R49 WeakPolarHBondContact O-CG 3.45Å; E45-R49 PolarHBondContact O-N 2.83Å; E45-R49 VanDerWaalsContact O-N 3.14Å
46G84Confident83.1Confident33 Ų3386 Ų8634%0.3445%0.446SS..Hα-helixtrans-66.9-40.9177.500000112.9K42 I43 Y44 K50K42-G46 PolarHBondContact O-N 3Å; K42-G46 VanDerWaalsContact O-N 3.08Å; I43-G46 PolarHBondContact O-N 3.06Å; Y44-G46 VanDerWaalsContact C-N 3.3Å; Y44-G46 PolarHBondContact O-N 3.37Å; G46-K50 WeakPolarHBondContact O-CG 3.46Å; G46-K50 PolarHBondContact O-N 2.93Å
47A81.9Confident83Confident10 Ų1082.2 Ų82.28%0.08344%0.436CS..Hα-helixtrans-70.1-43.5176.500000111.5I30 I43 Y44 R49 K50 L51 V58I30-A47 HydrophobicContact CD1-CB 3.84Å; I43-A47 WeakPolarHBondContact O-CB 3.27Å; I43-A47 PolarHBondContact O-N 3.23Å; Y44-A47 PolarHBondContact O-N 3.43Å; A47-R49 VanDerWaalsContact C-N 3.32Å; A47-R49 PolarHBondContact O-N 2.91Å; A47-K50 PolarHBondContact O-N 2.88Å; A47-K50 VanDerWaalsContact O-N 3.1Å; A47-L51 HydrophobicContact CB-CD1 4.35Å; A47-L51 WeakPolarHBondContact O-CB 3.26Å; A47-L51 VanDerWaalsContact O-CG 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.37Å; A47-L51 PolarHBondContact O-N 3.13Å; A47-V58 HydrophobicContact CB-CG1 3.92Å
48A85.1Confident83Confident10 Ų1074.6 Ų74.68%0.08340%0.403CS..Hα-helixtrans-53.3-47.6174.800000112.1Y44 K50 L51 S52 V53 A55 V58Y44-A48 VanDerWaalsContact O-CB 3.28Å; Y44-A48 WeakPolarHBondContact O-CB 3.49Å; Y44-A48 PolarHBondContact O-N 2.7Å; A48-K50 PolarHBondContact O-N 3.07Å; A48-L51 PolarHBondContact O-N 3.22Å; A48-S52 WeakPolarHBondContact O-CA 3.47Å; A48-S52 PolarHBondContact O-N 3.33Å; A48-V53 CarbonylContact C-O 3.53Å; A48-V53 VanDerWaalsContact CA-O 3.31Å; A48-V53 WeakPolarHBondContact CA-O 3.35Å; A48-V53 VanDerWaalsContact CB-O 3.28Å; A48-V53 WeakPolarHBondContact CB-O 3.16Å; A48-V53 PolarHBondContact O-N 3.09Å; A48-A55 HydrophobicContact CB-CB 3.91Å; A48-V58 HydrophobicContact CB-CG2 4.24Å
49R83.3Confident83.3Confident201 Ų20176.1 Ų76.176%0.75840%0.4SS*.Hα-helixtrans-66.3-34.6177.5-71.4-179.9-167176.78.3113.9E45 A47E45-R49 WeakPolarHBondContact O-CG 3.45Å; E45-R49 PolarHBondContact O-N 2.83Å; E45-R49 VanDerWaalsContact O-N 3.14Å; A47-R49 VanDerWaalsContact C-N 3.32Å; A47-R49 PolarHBondContact O-N 2.91Å
50K80Confident83.3Confident181 Ų18174.4 Ų74.479%0.78739%0.385SS*.Hα-helixtrans-75-36.2179.9-77.3177.2180-179.10112.3G46 A47 A48G46-K50 WeakPolarHBondContact O-CG 3.46Å; G46-K50 PolarHBondContact O-N 2.93Å; A47-K50 PolarHBondContact O-N 2.88Å; A47-K50 VanDerWaalsContact O-N 3.1Å; A48-K50 PolarHBondContact O-N 3.07Å
51L77.4Confident83.4Confident46 Ų4671.2 Ų71.224%0.24137%0.368CS..Hα-helixtrans-93.7-8.7-173.5-63.1169.1000112.4V23 F27 A47 A48 V53V23-L51 HydrophobicContact CB-CD2 4.06Å; V23-L51 HydrophobicContact CG1-CB 4.4Å; V23-L51 HydrophobicContact CG1-CD1 3.58Å; V23-L51 HydrophobicContact CG1-CD2 3.48Å; V23-L51 VanDerWaalsContact CG1-CD2 3.48Å; V23-L51 HydrophobicContact CG1-CG 3.99Å; V23-L51 HydrophobicContact CG2-CD2 3.67Å; F27-L51 HydrophobicContact CD1-CD1 4.11Å; F27-L51 HydrophobicContact CE1-CD1 3.26Å; F27-L51 HydrophobicContact CZ-CD1 3.76Å; A47-L51 HydrophobicContact CB-CD1 4.35Å; A47-L51 WeakPolarHBondContact O-CB 3.26Å; A47-L51 VanDerWaalsContact O-CG 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.37Å; A47-L51 PolarHBondContact O-N 3.13Å; A48-L51 PolarHBondContact O-N 3.22Å; L51-V53 HydrophobicContact CB-CB 4.49Å; L51-V53 HydrophobicContact CB-CG2 4.11Å; L51-V53 WeakPolarHBondContact O-CG2 3.4Å; L51-V53 PolarHBondContact O-N 3.28Å
52S77.3Confident83.7Confident114 Ų11466.9 Ų66.980%0.79734%0.34SS*.THydrogen-bonded Turntrans57.434.2-173.6-49.40000113.2A48A48-S52 WeakPolarHBondContact O-CA 3.47Å; A48-S52 PolarHBondContact O-N 3.33Å
53V79.9Confident83.8Confident38 Ų3862.2 Ų62.223%0.2332%0.321CS..SBendtrans-115.8151.8179.6-177.10000108.4A48 L51 T57 V58A48-V53 CarbonylContact C-O 3.53Å; A48-V53 VanDerWaalsContact CA-O 3.31Å; A48-V53 WeakPolarHBondContact CA-O 3.35Å; A48-V53 VanDerWaalsContact CB-O 3.28Å; A48-V53 WeakPolarHBondContact CB-O 3.16Å; A48-V53 PolarHBondContact O-N 3.09Å; L51-V53 HydrophobicContact CB-CB 4.49Å; L51-V53 HydrophobicContact CB-CG2 4.11Å; L51-V53 WeakPolarHBondContact O-CG2 3.4Å; L51-V53 PolarHBondContact O-N 3.28Å; V53-T57 HydrophobicContact CG1-CG2 3.63Å; V53-V58 HydrophobicContact CB-CG2 4.28Å; V53-V58 HydrophobicContact CG1-CG2 4.33Å
54D84.9Confident84Confident98 Ų9859.7 Ų59.752%0.52431%0.308SS..  trans-62.1143.7177.2-169.676000112E56 T57 V58D54-E56 VanDerWaalsContact C-N 3.26Å; D54-E56 PolarHBondContact O-N 3.44Å; D54-E56 WeakPolarHBondContact OD2-CB 3.39Å; D54-E56 PolarHBondContact OD2-N 2.98Å; D54-T57 WeakPolarHBondContact O-CB 3.18Å; D54-T57 PolarHBondContact O-N 3.29Å; D54-T57 VanDerWaalsContact O-N 3.16Å; D54-V58 WeakPolarHBondContact O-CG2 2.99Å; D54-V58 PolarHBondContact O-N 3.26Å
55A84.8Confident84.3Confident35 Ų3558.9 Ų58.929%0.28931%0.305SS..Hα-helixtrans-63.1-32.7-177.300000112.8A48 V58 Q59A48-A55 HydrophobicContact CB-CB 3.91Å; A55-V58 PolarHBondContact O-N 2.66Å; A55-Q59 WeakPolarHBondContact O-CB 2.99Å; A55-Q59 PolarHBondContact O-N 2.85Å
56E85.7Confident84.5Confident120 Ų12055.2 Ų55.256%0.56129%0.288SS*.Hα-helixtrans-67.4-39.8176.2-171.6174-177.800111D54 Q59 H60D54-E56 VanDerWaalsContact C-N 3.26Å; D54-E56 PolarHBondContact O-N 3.44Å; D54-E56 WeakPolarHBondContact OD2-CB 3.39Å; D54-E56 PolarHBondContact OD2-N 2.98Å; E56-Q59 PolarHBondContact O-N 3.49Å; E56-H60 VanDerWaalsContact CG-CE1 3.43Å; E56-H60 WeakPolarHBondContact CG-CE1 3.38Å; E56-H60 VanDerWaalsContact O-CG 3.32Å; E56-H60 PolarHBondContact O-N 3.29Å; E56-H60 PolarHBondContact O-ND1 3.22Å; E56-H60 IonicContact OE1-CE1 3.02Å
57T82.3Confident84.8Confident46 Ų4657.2 Ų57.228%0.28229%0.286SS..Hα-helixtrans-65-43.9175.7-560000111F15 V53 D54 Q59 H60 G61F15-T57 HydrophobicContact CD1-CG2 4.15Å; F15-T57 HydrophobicContact CD2-CG2 3.53Å; F15-T57 HydrophobicContact CE1-CG2 4.03Å; F15-T57 WeakPolarHBondContact CE1-O 3.45Å; F15-T57 HydrophobicContact CE2-CG2 3.45Å; F15-T57 VanDerWaalsContact CE2-CG2 3.45Å; F15-T57 HydrophobicContact CG-CG2 3.89Å; F15-T57 HydrophobicContact CZ-CG2 3.68Å; F15-T57 WeakPolarHBondContact CZ-O 3.36Å; V53-T57 HydrophobicContact CG1-CG2 3.63Å; D54-T57 WeakPolarHBondContact O-CB 3.18Å; D54-T57 PolarHBondContact O-N 3.29Å; D54-T57 VanDerWaalsContact O-N 3.16Å; T57-Q59 VanDerWaalsContact C-N 3.31Å; T57-Q59 PolarHBondContact O-N 3.13Å; T57-H60 PolarHBondContact O-N 3.35Å; T57-G61 PolarHBondContact O-N 3.41Å
58V85.3Confident85.1Confident0 Ų056.8 Ų56.80%028%0.282CS..Hα-helixtrans-60.9-42.11751770000111.2F27 Y44 A47 A48 V53 D54 A55 G61 V62F27-V58 HydrophobicContact CD1-CG1 4.2Å; F27-V58 HydrophobicContact CE1-CB 4.22Å; F27-V58 HydrophobicContact CE1-CG1 3.75Å; F27-V58 HydrophobicContact CE1-CG2 3.85Å; F27-V58 HydrophobicContact CZ-CG2 4.05Å; Y44-V58 HydrophobicContact CD1-CG1 4.17Å; A47-V58 HydrophobicContact CB-CG1 3.92Å; A48-V58 HydrophobicContact CB-CG2 4.24Å; V53-V58 HydrophobicContact CB-CG2 4.28Å; V53-V58 HydrophobicContact CG1-CG2 4.33Å; D54-V58 WeakPolarHBondContact O-CG2 2.99Å; D54-V58 PolarHBondContact O-N 3.26Å; A55-V58 PolarHBondContact O-N 2.66Å; V58-G61 PolarHBondContact O-N 3.09Å; V58-V62 HydrophobicContact CG1-CG2 4.28Å; V58-V62 WeakPolarHBondContact O-CB 3.48Å; V58-V62 VanDerWaalsContact O-CG2 3.24Å; V58-V62 WeakPolarHBondContact O-CG2 3.5Å; V58-V62 PolarHBondContact O-N 2.84Å
59Q86.4Confident85.3Confident73 Ų7356.6 Ų56.634%0.34128%0.279SS..Hα-helixtrans-61.1-52.1177.5-178.3177.2-9.400111.3Y44 A55 E56 T57 G61 V62 E63Y44-Q59 HydrophobicContact CD1-CB 4.22Å; Y44-Q59 HydrophobicContact CD2-CG 4.46Å; Y44-Q59 HydrophobicContact CE1-CB 4.18Å; Y44-Q59 HydrophobicContact CE1-CG 4.24Å; Y44-Q59 HydrophobicContact CE2-CG 4.05Å; Y44-Q59 HydrophobicContact CG-CB 4.41Å; A55-Q59 WeakPolarHBondContact O-CB 2.99Å; A55-Q59 PolarHBondContact O-N 2.85Å; E56-Q59 PolarHBondContact O-N 3.49Å; T57-Q59 VanDerWaalsContact C-N 3.31Å; T57-Q59 PolarHBondContact O-N 3.13Å; Q59-G61 VanDerWaalsContact C-N 3.32Å; Q59-G61 PolarHBondContact O-N 3.23Å; Q59-V62 PolarHBondContact O-N 3.47Å; Q59-E63 HydrophobicContact CG-CG 4.31Å; Q59-E63 VanDerWaalsContact CG-OE1 3.23Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.46Å; Q59-E63 PolarHBondContact NE2-OE1 3.39Å; Q59-E63 WeakPolarHBondContact O-CB 3.28Å; Q59-E63 WeakPolarHBondContact O-CG 3.31Å; Q59-E63 PolarHBondContact O-N 3.22Å
60H86.9Confident85.5Confident54 Ų5448.4 Ų48.425%0.2525%0.252CS..Hα-helixtrans-59.2-41.4179.6-67.2153.7000112.4H12 F15 E56 T57 G64H12-H60 HydrophobicContact CB-CB 4.23Å; H12-H60 AromaticContact CD2-CG 3.98Å; H12-H60 AromaticContact CE1-CD2 3.77Å; H12-H60 AromaticContact NE2-CD2 3.67Å; F15-H60 HydrophobicContact CE1-CB 4.36Å; E56-H60 VanDerWaalsContact CG-CE1 3.43Å; E56-H60 WeakPolarHBondContact CG-CE1 3.38Å; E56-H60 VanDerWaalsContact O-CG 3.32Å; E56-H60 PolarHBondContact O-N 3.29Å; E56-H60 PolarHBondContact O-ND1 3.22Å; E56-H60 IonicContact OE1-CE1 3.02Å; T57-H60 PolarHBondContact O-N 3.35Å; H60-G64 PolarHBondContact O-N 3.32Å
61G86.3Confident85.9Confident0 Ų041.8 Ų41.80%022%0.224CC..Hα-helixtrans-67.5-44.4178.600000113F15 T57 V58 Q59 G64 L65F15-G61 VanDerWaalsContact CE1-CA 3.47Å; T57-G61 PolarHBondContact O-N 3.41Å; V58-G61 PolarHBondContact O-N 3.09Å; Q59-G61 VanDerWaalsContact C-N 3.32Å; Q59-G61 PolarHBondContact O-N 3.23Å; G61-G64 PolarHBondContact O-N 2.96Å; G61-L65 WeakPolarHBondContact O-CB 3.22Å; G61-L65 WeakPolarHBondContact O-CG 3.24Å; G61-L65 PolarHBondContact O-N 3.45Å
62V88.9Confident86.3Confident0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-64.6-44.6177.8170.90000110.5F27 I30 A31 F34 Y44 V58 Q59 L65 M66F27-V62 HydrophobicContact CB-CG2 4.21Å; F27-V62 HydrophobicContact CD1-CG2 4.21Å; F27-V62 HydrophobicContact CG-CG2 4.48Å; I30-V62 HydrophobicContact CB-CG2 4.27Å; I30-V62 HydrophobicContact CG2-CG1 3.98Å; I30-V62 HydrophobicContact CG2-CG2 4.05Å; A31-V62 HydrophobicContact CB-CG1 4.18Å; F34-V62 HydrophobicContact CD2-CG1 3.7Å; F34-V62 HydrophobicContact CE2-CG1 3.89Å; Y44-V62 HydrophobicContact CE1-CB 3.91Å; Y44-V62 HydrophobicContact CE1-CG1 3.95Å; Y44-V62 HydrophobicContact CE1-CG2 4.3Å; V58-V62 HydrophobicContact CG1-CG2 4.28Å; V58-V62 WeakPolarHBondContact O-CB 3.48Å; V58-V62 VanDerWaalsContact O-CG2 3.24Å; V58-V62 WeakPolarHBondContact O-CG2 3.5Å; V58-V62 PolarHBondContact O-N 2.84Å; Q59-V62 PolarHBondContact O-N 3.47Å; V62-L65 PolarHBondContact O-N 2.86Å; V62-M66 HydrophobicContact CG1-CG 4.34Å; V62-M66 HydrophobicContact CG1-SD 4.07Å; V62-M66 WeakPolarHBondContact O-CB 3.36Å; V62-M66 VanDerWaalsContact O-CG 3.23Å; V62-M66 WeakPolarHBondContact O-CG 3.31Å; V62-M66 PolarHBondContact O-N 3.49Å
63E87.7Confident86.8Confident69 Ų6934.2 Ų34.232%0.32217%0.174SC..Hα-helixtrans-64.7-41.6177.6-72.6178.2-174.600112.1Q59 L65 M66 Y67Q59-E63 HydrophobicContact CG-CG 4.31Å; Q59-E63 VanDerWaalsContact CG-OE1 3.23Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.46Å; Q59-E63 PolarHBondContact NE2-OE1 3.39Å; Q59-E63 WeakPolarHBondContact O-CB 3.28Å; Q59-E63 WeakPolarHBondContact O-CG 3.31Å; Q59-E63 PolarHBondContact O-N 3.22Å; E63-L65 PolarHBondContact O-N 2.97Å; E63-M66 PolarHBondContact O-N 3.01Å; E63-Y67 WeakPolarHBondContact O-CB 3.33Å; E63-Y67 PolarHBondContact O-N 3.46Å
64G87.9Confident87Confident0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-59.6-44.4173.400000112.3H60 G61 Y67 L68H60-G64 PolarHBondContact O-N 3.32Å; G61-G64 PolarHBondContact O-N 2.96Å; G64-Y67 PolarHBondContact O-N 3.1Å; G64-L68 WeakPolarHBondContact O-CB 3.36Å; G64-L68 PolarHBondContact O-N 3.14Å
65L89.5Confident86.8Confident2 Ų233 Ų331%0.0116%0.164CC..Hα-helixtrans-68.6-39.6176.4-70.8174.4000112.3L13 L16 F27 A31 G61 V62 E63 Y67 L68 L69 L99L13-L65 HydrophobicContact CD2-CD2 4.14Å; L13-L65 HydrophobicContact CD2-CG 4.31Å; L16-L65 HydrophobicContact CD1-CD2 4.05Å; L16-L65 HydrophobicContact CD1-CG 4.45Å; F27-L65 HydrophobicContact CB-CD1 3.67Å; A31-L65 HydrophobicContact CB-CB 3.99Å; G61-L65 WeakPolarHBondContact O-CB 3.22Å; G61-L65 WeakPolarHBondContact O-CG 3.24Å; G61-L65 PolarHBondContact O-N 3.45Å; V62-L65 PolarHBondContact O-N 2.86Å; E63-L65 PolarHBondContact O-N 2.97Å; L65-Y67 VanDerWaalsContact C-N 3.31Å; L65-Y67 PolarHBondContact O-N 3.26Å; L65-L68 HydrophobicContact CD2-CD2 4.44Å; L65-L68 PolarHBondContact O-N 3.11Å; L65-L69 WeakPolarHBondContact O-CB 3.49Å; L65-L69 VanDerWaalsContact O-CG 3.24Å; L65-L69 WeakPolarHBondContact O-CG 3.49Å; L65-L69 PolarHBondContact O-N 3.38Å; L65-L99 HydrophobicContact CD2-CD2 3.4Å
66M89.7Confident86.7Confident30 Ų3036 Ų3615%0.14817%0.173CC..Hα-helixtrans-57.9-46.8173-76.3176.96800110.5A31 F34 L35 T39 V62 E63 T70A31-M66 HydrophobicContact CB-CG 3.63Å; F34-M66 HydrophobicContact CB-CE 3.81Å; F34-M66 HydrophobicContact CB-SD 3.68Å; F34-M66 HydrophobicContact CD2-SD 3.89Å; F34-M66 HydrophobicContact CG-SD 4.33Å; L35-M66 HydrophobicContact CD2-CB 4.39Å; L35-M66 HydrophobicContact CD2-CE 3.86Å; L35-M66 HydrophobicContact CD2-CG 4.47Å; L35-M66 HydrophobicContact CG-CE 4.24Å; L35-M66 HydrophobicContact CG-CG 4.27Å; T39-M66 HydrophobicContact CG2-CE 4.22Å; V62-M66 HydrophobicContact CG1-CG 4.34Å; V62-M66 HydrophobicContact CG1-SD 4.07Å; V62-M66 WeakPolarHBondContact O-CB 3.36Å; V62-M66 VanDerWaalsContact O-CG 3.23Å; V62-M66 WeakPolarHBondContact O-CG 3.31Å; V62-M66 PolarHBondContact O-N 3.49Å; E63-M66 PolarHBondContact O-N 3.01Å; M66-T70 VanDerWaalsContact O-CB 3.23Å; M66-T70 WeakPolarHBondContact O-CB 3.32Å; M66-T70 PolarHBondContact O-N 3.26Å; M66-T70 PolarHBondContact O-OG1 2.92Å
67Y88.8Confident86.7Confident74 Ų7430.5 Ų30.529%0.2915%0.147SC..Hα-helixtrans-63.1-49.5178-175.7-99.2000111.6L5 H9 E63 G64 L65 L69 T70 E71L5-Y67 HydrophobicContact CD2-CD1 3.98Å; L5-Y67 HydrophobicContact CD2-CE1 3.9Å; H9-Y67 HydrophobicContact CB-CD1 4.43Å; H9-Y67 AromaticContact CD2-CD1 3.8Å; H9-Y67 AromaticContact CD2-CG 3.83Å; H9-Y67 AromaticContact CE1-CD1 3.7Å; H9-Y67 AromaticContact CE1-CD2 3.73Å; H9-Y67 AromaticContact CE1-CE1 3.58Å; H9-Y67 AromaticContact CE1-CE2 3.63Å; H9-Y67 AromaticContact CE1-CG 3.76Å; H9-Y67 AromaticContact CE1-CZ 3.54Å; H9-Y67 AromaticContact CG-CD1 3.73Å; H9-Y67 AromaticContact CG-CE1 3.97Å; H9-Y67 AromaticContact ND1-CD1 3.66Å; H9-Y67 AromaticContact ND1-CE1 3.45Å; H9-Y67 WeakPolarHBondContact ND1-CE1 3.46Å; H9-Y67 AromaticContact ND1-CZ 3.8Å; H9-Y67 AromaticContact NE2-CD1 3.78Å; H9-Y67 AromaticContact NE2-CD2 3.65Å; H9-Y67 AromaticContact NE2-CG 3.51Å; E63-Y67 WeakPolarHBondContact O-CB 3.33Å; E63-Y67 PolarHBondContact O-N 3.46Å; G64-Y67 PolarHBondContact O-N 3.1Å; L65-Y67 VanDerWaalsContact C-N 3.31Å; L65-Y67 PolarHBondContact O-N 3.26Å; Y67-L69 PolarHBondContact O-N 2.97Å; Y67-T70 PolarHBondContact O-N 3.35Å; Y67-E71 HydrophobicContact CD1-CG 4.39Å; Y67-E71 HydrophobicContact CD2-CG 4.23Å; Y67-E71 HydrophobicContact CE1-CG 3.91Å; Y67-E71 HydrophobicContact CE2-CG 3.72Å; Y67-E71 PolarHBondContact O-N 3.15Å
68L89Confident86.9Confident2 Ų230.8 Ų30.81%0.0115%0.151CC..Hα-helixtrans-53.7-51177.5-174.483000111.5L3 L5 L13 G64 L65 S72 F82 L99L3-L68 HydrophobicContact CD2-CD1 3.5Å; L5-L68 HydrophobicContact CD1-CD1 4.22Å; L5-L68 HydrophobicContact CD2-CD1 4.35Å; L13-L68 HydrophobicContact CD1-CD1 4.5Å; G64-L68 WeakPolarHBondContact O-CB 3.36Å; G64-L68 PolarHBondContact O-N 3.14Å; L65-L68 HydrophobicContact CD2-CD2 4.44Å; L65-L68 PolarHBondContact O-N 3.11Å; L68-S72 WeakPolarHBondContact O-CB 3.45Å; L68-S72 PolarHBondContact O-N 3.44Å; L68-S72 PolarHBondContact O-OG 2.96Å; L68-F82 HydrophobicContact CD2-CE2 4.43Å; L68-F82 HydrophobicContact CD2-CZ 4.1Å; L68-F82 HydrophobicContact CG-CE2 4.38Å; L68-L99 HydrophobicContact CD2-CD1 4.25Å
69L89.6Confident86.9Confident5 Ų535.6 Ų35.63%0.02617%0.174CC..Hα-helixtrans-67.8-38.5-178.4-69.6173.3000112V32 L35 L65 Y67 S73 I110V32-L69 HydrophobicContact CG2-CD1 3.95Å; L35-L69 HydrophobicContact CD1-CB 4.35Å; L65-L69 WeakPolarHBondContact O-CB 3.49Å; L65-L69 VanDerWaalsContact O-CG 3.24Å; L65-L69 WeakPolarHBondContact O-CG 3.49Å; L65-L69 PolarHBondContact O-N 3.38Å; Y67-L69 PolarHBondContact O-N 2.97Å; L69-S73 WeakPolarHBondContact O-CB 3.29Å; L69-S73 PolarHBondContact O-N 3.38Å; L69-S73 PolarHBondContact O-OG 3.38Å; L69-I110 HydrophobicContact CB-CD1 3.86Å
70T88.3Confident86.8Confident29 Ų2936.5 Ų36.518%0.17818%0.184CC..Hα-helixtrans-67.3-52.9179.2-57.70000111.2L35 M66 Y67 S72 S73 K74 L114L35-T70 VanDerWaalsContact CD2-OG1 3.32Å; L35-T70 WeakPolarHBondContact CD2-OG1 3.43Å; M66-T70 VanDerWaalsContact O-CB 3.23Å; M66-T70 WeakPolarHBondContact O-CB 3.32Å; M66-T70 PolarHBondContact O-N 3.26Å; M66-T70 PolarHBondContact O-OG1 2.92Å; Y67-T70 PolarHBondContact O-N 3.35Å; T70-S72 VanDerWaalsContact C-N 3.35Å; T70-S72 PolarHBondContact O-N 3.43Å; T70-S73 PolarHBondContact O-N 2.96Å; T70-K74 VanDerWaalsContact O-CB 3.29Å; T70-K74 WeakPolarHBondContact O-CB 3.41Å; T70-K74 PolarHBondContact O-N 2.84Å; T70-L114 HydrophobicContact CG2-CD1 4.11Å; T70-L114 HydrophobicContact CG2-CD2 3.99Å
71E86.6Confident86.7Confident43 Ų4336 Ų3620%0.20118%0.183CC..Hα-helixtrans-65.4-38.4-179.6-77.1-62.4138.500111.8L3 Y67 S73 K74 L75L3-E71 HydrophobicContact CD1-CB 3.79Å; Y67-E71 HydrophobicContact CD1-CG 4.39Å; Y67-E71 HydrophobicContact CD2-CG 4.23Å; Y67-E71 HydrophobicContact CE1-CG 3.91Å; Y67-E71 HydrophobicContact CE2-CG 3.72Å; Y67-E71 PolarHBondContact O-N 3.15Å; E71-S73 VanDerWaalsContact C-N 3.32Å; E71-S73 PolarHBondContact O-N 3.31Å; E71-K74 PolarHBondContact O-N 3.42Å; E71-K74 IonicContact OE1-NZ 2.59Å; E71-L75 WeakPolarHBondContact O-CB 3.46Å; E71-L75 WeakPolarHBondContact O-CG 3.22Å; E71-L75 PolarHBondContact O-N 3.01Å
72S87.6Confident86.7Confident0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-64.4-36.5175-580000112.6L68 T70 M76 I77 F82 Y103L68-S72 WeakPolarHBondContact O-CB 3.45Å; L68-S72 PolarHBondContact O-N 3.44Å; L68-S72 PolarHBondContact O-OG 2.96Å; T70-S72 VanDerWaalsContact C-N 3.35Å; T70-S72 PolarHBondContact O-N 3.43Å; S72-M76 PolarHBondContact O-N 3.33Å; S72-I77 PolarHBondContact O-N 3.02Å; S72-F82 WeakPolarHBondContact OG-CE2 3.19Å; S72-Y103 PolarHBondContact O-OH 3.5Å; S72-Y103 VanDerWaalsContact O-OH 3.13Å
73S87.1Confident86.5Confident0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-76.9-34.2178.4-60.50000112.4L69 T70 E71 R111L69-S73 WeakPolarHBondContact O-CB 3.29Å; L69-S73 PolarHBondContact O-N 3.38Å; L69-S73 PolarHBondContact O-OG 3.38Å; T70-S73 PolarHBondContact O-N 2.96Å; E71-S73 VanDerWaalsContact C-N 3.32Å; E71-S73 PolarHBondContact O-N 3.31Å; S73-R111 PolarHBondContact O-NH2 3.48Å
74K83.6Confident86.3Confident58 Ų5839.7 Ų39.725%0.25220%0.203SC..Hα-helixtrans-63.9-49.8173.7-175.7-179.1178.7-176.80110.9T70 E71 M76 R111 L114 N198T70-K74 VanDerWaalsContact O-CB 3.29Å; T70-K74 WeakPolarHBondContact O-CB 3.41Å; T70-K74 PolarHBondContact O-N 2.84Å; E71-K74 PolarHBondContact O-N 3.42Å; E71-K74 IonicContact OE1-NZ 2.59Å; K74-M76 VanDerWaalsContact C-N 3.33Å; K74-M76 PolarHBondContact O-N 3.45Å; K74-R111 PolarHBondContact O-NH2 3.21Å; K74-L114 HydrophobicContact CB-CD1 4.38Å; K74-N198 WeakPolarHBondContact CE-O 3.44Å; K74-N198 PolarHBondContact NZ-O 2.97Å
75L82.1Confident86.1Confident52 Ų5240.1 Ų40.127%0.27221%0.206SC..Hα-helixtrans-78.6-8.5-176.6-66.9175.1000115L3 E71 I77L3-L75 HydrophobicContact CD1-CD1 4.41Å; E71-L75 WeakPolarHBondContact O-CB 3.46Å; E71-L75 WeakPolarHBondContact O-CG 3.22Å; E71-L75 PolarHBondContact O-N 3.01Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 HydrophobicContact CB-CD1 4.23Å; L75-I77 HydrophobicContact CB-CG1 3.71Å; L75-I77 HydrophobicContact CD1-CD1 4.24Å; L75-I77 PolarHBondContact O-N 2.89Å
76M81.7Confident85.7Confident99 Ų9940.1 Ų40.149%0.48821%0.206SC..THydrogen-bonded Turntrans5051.1-171.4-70.1-66.6-91.100112.6S72 K74 S78 R111S72-M76 PolarHBondContact O-N 3.33Å; K74-M76 VanDerWaalsContact C-N 3.33Å; K74-M76 PolarHBondContact O-N 3.45Å; M76-S78 PolarHBondContact O-N 3.4Å; M76-R111 PolarHBondContact SD-NE 3.33Å; M76-R111 PolarHBondContact SD-NH1 2.9Å; M76-R111 PolarHBondContact SD-NH2 3.46Å; M76-R111 VanDerWaalsContact SD-NH2 3.37Å
77I85.1Confident85.3Confident5 Ų543.5 Ų43.53%0.02622%0.224CC..  trans-62134.1179-57.2-169.7000108.7L3 S72 L75 D81 F82 Y103L3-I77 HydrophobicContact CB-CD1 3.82Å; L3-I77 HydrophobicContact CD1-CD1 3.41Å; L3-I77 VanDerWaalsContact CD1-CD1 3.41Å; L3-I77 HydrophobicContact CG-CD1 4.23Å; S72-I77 PolarHBondContact O-N 3.02Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 HydrophobicContact CB-CD1 4.23Å; L75-I77 HydrophobicContact CB-CG1 3.71Å; L75-I77 HydrophobicContact CD1-CD1 4.24Å; L75-I77 PolarHBondContact O-N 2.89Å; I77-D81 HydrophobicContact CG2-CB 3.37Å; I77-F82 HydrophobicContact CG2-CB 3.99Å; I77-Y103 PolarHBondContact N-OH 3.39Å; I77-Y103 PolarHBondContact O-OH 2.92Å
78S86.2Confident84.8Confident51 Ų5145.6 Ų45.636%0.35724%0.244SC..  trans-68160.4175.7730000110M76 V80 D81 F82M76-S78 PolarHBondContact O-N 3.4Å; S78-V80 PolarHBondContact O-N 2.92Å; S78-D81 PolarHBondContact O-N 3.47Å; S78-D81 WeakPolarHBondContact OG-CB 3.46Å; S78-D81 PolarHBondContact OG-N 3.48Å; S78-D81 VanDerWaalsContact OG-N 3.13Å; S78-D81 PolarHBondContact OG-OD2 3.46Å; S78-F82 WeakPolarHBondContact O-CB 3.39Å; S78-F82 PolarHBondContact O-N 2.86Å
79E86.4Confident84.2Confident101 Ų10147 Ų4747%0.47225%0.252SS..Hα-helixtrans-56-41.5178.4-173.2176.2168.500112.3F82 Q83 Q100 L104E79-F82 PolarHBondContact O-N 3.02Å; E79-Q83 PolarHBondContact O-N 3.5Å; E79-Q83 VanDerWaalsContact O-N 3.14Å; E79-Q100 HydrophobicContact CG-CG 4.41Å; E79-Q100 PolarHBondContact OE1-NE2 3.2Å; E79-L104 HydrophobicContact CG-CD1 4.36Å
80V84.7Confident83.6Confident92 Ų9249.9 Ų49.956%0.55828%0.283SS*.Hα-helixtrans-68.2-48.5178-176.20000111S78 F82 Q83 D84S78-V80 PolarHBondContact O-N 2.92Å; V80-F82 PolarHBondContact O-N 3.25Å; V80-Q83 PolarHBondContact O-N 3.4Å; V80-D84 PolarHBondContact O-N 2.9Å
81D84.9Confident83.3Confident45 Ų4549.4 Ų49.424%0.24128%0.278CS..Hα-helixtrans-61.8-32178.2-72.9-67.2000111.8M1 L2 I77 S78 S85M1-D81 PolarHBondContact N-OD1 2.92Å; M1-D81 PolarHBondContact N-OD2 3.33Å; L2-D81 HydrophobicContact CD2-CB 4.49Å; I77-D81 HydrophobicContact CG2-CB 3.37Å; S78-D81 PolarHBondContact O-N 3.47Å; S78-D81 WeakPolarHBondContact OG-CB 3.46Å; S78-D81 PolarHBondContact OG-N 3.48Å; S78-D81 VanDerWaalsContact OG-N 3.13Å; S78-D81 PolarHBondContact OG-OD2 3.46Å; D81-S85 WeakPolarHBondContact O-CB 3.16Å; D81-S85 PolarHBondContact O-N 3.42Å; D81-S85 PolarHBondContact O-OG 3.31Å
82F86.4Confident83.1Confident2 Ų251 Ų511%0.00929%0.291CS..Hα-helixtrans-69.2-48.2177.7-177.2-89.5000110.5L68 S72 I77 S78 E79 V80 D84 S85 V86 L99 Q100 Y103L68-F82 HydrophobicContact CD2-CE2 4.43Å; L68-F82 HydrophobicContact CD2-CZ 4.1Å; L68-F82 HydrophobicContact CG-CE2 4.38Å; S72-F82 WeakPolarHBondContact OG-CE2 3.19Å; I77-F82 HydrophobicContact CG2-CB 3.99Å; S78-F82 WeakPolarHBondContact O-CB 3.39Å; S78-F82 PolarHBondContact O-N 2.86Å; E79-F82 PolarHBondContact O-N 3.02Å; V80-F82 PolarHBondContact O-N 3.25Å; F82-D84 VanDerWaalsContact C-N 3.33Å; F82-D84 PolarHBondContact O-N 2.91Å; F82-S85 WeakPolarHBondContact O-CB 3.35Å; F82-S85 PolarHBondContact O-N 3.28Å; F82-S85 VanDerWaalsContact O-N 3.12Å; F82-V86 HydrophobicContact CD1-CG2 4.07Å; F82-V86 HydrophobicContact CE1-CG2 3.66Å; F82-V86 HydrophobicContact CE2-CG2 4.35Å; F82-V86 HydrophobicContact CZ-CG2 3.83Å; F82-V86 WeakPolarHBondContact O-CG2 3.23Å; F82-V86 PolarHBondContact O-N 2.86Å; F82-L99 HydrophobicContact CE1-CB 4.28Å; F82-L99 HydrophobicContact CZ-CB 4.34Å; F82-Q100 HydrophobicContact CD1-CB 4.13Å; F82-Q100 HydrophobicContact CD1-CG 4.37Å; F82-Q100 HydrophobicContact CE1-CB 4.06Å; F82-Y103 HydrophobicContact CD2-CD1 4.19Å; F82-Y103 HydrophobicContact CD2-CG 4.24Å; F82-Y103 HydrophobicContact CE2-CG 4.15Å; F82-Y103 HydrophobicContact CG-CD1 4.31Å
83Q83.9Confident82.9Confident66 Ų6658.5 Ų58.531%0.30833%0.326SS..Hα-helixtrans-57-47.3174.5-75.8-174-19.600111.5E79 V80 S85 V86 L87 Q100E79-Q83 PolarHBondContact O-N 3.5Å; E79-Q83 VanDerWaalsContact O-N 3.14Å; V80-Q83 PolarHBondContact O-N 3.4Å; Q83-S85 PolarHBondContact O-N 3.35Å; Q83-V86 PolarHBondContact O-N 3.38Å; Q83-L87 WeakPolarHBondContact O-CB 3.23Å; Q83-L87 WeakPolarHBondContact O-CD1 3.36Å; Q83-L87 VanDerWaalsContact O-CG 3.27Å; Q83-L87 WeakPolarHBondContact O-CG 3.42Å; Q83-L87 PolarHBondContact O-N 3.39Å; Q83-Q100 VanDerWaalsContact NE2-CD 3.27Å
84D83.9Confident82.8Confident77 Ų7765.6 Ų65.641%0.41236%0.359SS..Hα-helixtrans-59.3-35.1177.3-72.1-17.2000112.4L2 V80 F82L2-D84 HydrophobicContact CD2-CB 3.58Å; V80-D84 PolarHBondContact O-N 2.9Å; F82-D84 VanDerWaalsContact C-N 3.33Å; F82-D84 PolarHBondContact O-N 2.91Å
85S82.7Confident82.7Confident9 Ų963 Ų636%0.06335%0.348CS..Hα-helixtrans-72.8-39.5178.9-58.30000112.6L3 D81 F82 Q83L3-S85 PolarHBondContact N-OG 3.16Å; D81-S85 WeakPolarHBondContact O-CB 3.16Å; D81-S85 PolarHBondContact O-N 3.42Å; D81-S85 PolarHBondContact O-OG 3.31Å; F82-S85 WeakPolarHBondContact O-CB 3.35Å; F82-S85 PolarHBondContact O-N 3.28Å; F82-S85 VanDerWaalsContact O-N 3.12Å; Q83-S85 PolarHBondContact O-N 3.35Å
86V81.5Confident82.9Confident2 Ų261.3 Ų61.31%0.01234%0.339CS..Hα-helixtrans-79-29-180-174.10000111.2F82 Q83 V88 L89 F91 N96 L99F82-V86 HydrophobicContact CD1-CG2 4.07Å; F82-V86 HydrophobicContact CE1-CG2 3.66Å; F82-V86 HydrophobicContact CE2-CG2 4.35Å; F82-V86 HydrophobicContact CZ-CG2 3.83Å; F82-V86 WeakPolarHBondContact O-CG2 3.23Å; F82-V86 PolarHBondContact O-N 2.86Å; Q83-V86 PolarHBondContact O-N 3.38Å; V86-V88 PolarHBondContact O-N 2.83Å; V86-L89 HydrophobicContact CG1-CD1 4.24Å; V86-L89 VanDerWaalsContact O-CB 3.26Å; V86-L89 WeakPolarHBondContact O-CB 3.24Å; V86-L89 PolarHBondContact O-N 3.27Å; V86-F91 HydrophobicContact CG1-CD2 3.71Å; V86-F91 HydrophobicContact CG1-CE2 4.22Å; V86-N96 WeakPolarHBondContact CG1-OD1 3.35Å; V86-L99 HydrophobicContact CG1-CD1 4.02Å
87L80.8Confident83.2Confident101 Ų10161.9 Ų61.953%0.52934%0.34SS..Hα-helixtrans-55.3-33.5173.8-85.5162.3000112.8Q83 L89 G90Q83-L87 WeakPolarHBondContact O-CB 3.23Å; Q83-L87 WeakPolarHBondContact O-CD1 3.36Å; Q83-L87 VanDerWaalsContact O-CG 3.27Å; Q83-L87 WeakPolarHBondContact O-CG 3.42Å; Q83-L87 PolarHBondContact O-N 3.39Å; L87-L89 PolarHBondContact O-N 3.3Å; L87-G90 PolarHBondContact O-N 3.37Å; L87-G90 VanDerWaalsContact O-N 3.12Å
88V78.8Confident83.3Confident118 Ų11863.7 Ų63.772%0.71535%0.35SS*.THydrogen-bonded Turntrans-63.9-23.3176.21790000112.4V86 G90V86-V88 PolarHBondContact O-N 2.83Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 2.93Å
89L77.1Confident83.3Confident33 Ų3361.4 Ų61.417%0.17333%0.334CS..THydrogen-bonded Turntrans-79-9178.1-58.4172.3000113L5 K10 L13 V86 L87 F91L5-L89 HydrophobicContact CD1-CD1 3.8Å; L5-L89 HydrophobicContact CD1-CD2 3.84Å; L5-L89 HydrophobicContact CD1-CG 4.23Å; K10-L89 HydrophobicContact CB-CD2 4.37Å; K10-L89 HydrophobicContact CG-CD2 3.88Å; L13-L89 HydrophobicContact CD1-CD1 4.06Å; V86-L89 HydrophobicContact CG1-CD1 4.24Å; V86-L89 VanDerWaalsContact O-CB 3.26Å; V86-L89 WeakPolarHBondContact O-CB 3.24Å; V86-L89 PolarHBondContact O-N 3.27Å; L87-L89 PolarHBondContact O-N 3.3Å; L89-F91 VanDerWaalsContact C-N 3.31Å; L89-F91 HydrophobicContact CB-CD1 4.02Å; L89-F91 HydrophobicContact CB-CD2 3.94Å; L89-F91 HydrophobicContact CB-CE1 3.75Å; L89-F91 HydrophobicContact CB-CE2 3.65Å; L89-F91 HydrophobicContact CB-CG 4.13Å; L89-F91 HydrophobicContact CB-CZ 3.55Å; L89-F91 HydrophobicContact CD1-CD2 4.22Å; L89-F91 HydrophobicContact CD1-CE2 3.43Å; L89-F91 VanDerWaalsContact CD1-CE2 3.43Å; L89-F91 HydrophobicContact CD1-CZ 3.76Å; L89-F91 HydrophobicContact CG-CE2 4.16Å; L89-F91 HydrophobicContact CG-CZ 4.19Å; L89-F91 WeakPolarHBondContact O-CD1 3.4Å; L89-F91 PolarHBondContact O-N 2.69Å
90G75.8Confident83.5Confident65 Ų6557 Ų5767%0.6731%0.313SS*.THydrogen-bonded Turntrans71.422.6175.200000114.6L87 V88L87-G90 PolarHBondContact O-N 3.37Å; L87-G90 VanDerWaalsContact O-N 3.12Å; V88-G90 VanDerWaalsContact C-N 3.27Å; V88-G90 PolarHBondContact O-N 2.93Å
91F82.7Confident83.8Confident18 Ų1857.8 Ų57.88%0.07931%0.311CS..  trans-75.5160.8178.6-59-20.8000112.5L13 L16 P17 V86 L89 L95 N96 L99L13-F91 HydrophobicContact CB-CZ 3.85Å; L13-F91 WeakPolarHBondContact O-CZ 3.49Å; L16-F91 HydrophobicContact CD1-CE2 4.46Å; L16-F91 HydrophobicContact CD1-CZ 4.46Å; P17-F91 HydrophobicContact CG-CD1 3.37Å; P17-F91 HydrophobicContact CG-CE1 3.7Å; P17-F91 HydrophobicContact CG-CG 4.36Å; V86-F91 HydrophobicContact CG1-CD2 3.71Å; V86-F91 HydrophobicContact CG1-CE2 4.22Å; L89-F91 VanDerWaalsContact C-N 3.31Å; L89-F91 HydrophobicContact CB-CD1 4.02Å; L89-F91 HydrophobicContact CB-CD2 3.94Å; L89-F91 HydrophobicContact CB-CE1 3.75Å; L89-F91 HydrophobicContact CB-CE2 3.65Å; L89-F91 HydrophobicContact CB-CG 4.13Å; L89-F91 HydrophobicContact CB-CZ 3.55Å; L89-F91 HydrophobicContact CD1-CD2 4.22Å; L89-F91 HydrophobicContact CD1-CE2 3.43Å; L89-F91 VanDerWaalsContact CD1-CE2 3.43Å; L89-F91 HydrophobicContact CD1-CZ 3.76Å; L89-F91 HydrophobicContact CG-CE2 4.16Å; L89-F91 HydrophobicContact CG-CZ 4.19Å; L89-F91 WeakPolarHBondContact O-CD1 3.4Å; L89-F91 PolarHBondContact O-N 2.69Å; F91-L95 HydrophobicContact CB-CD2 3.97Å; F91-L95 HydrophobicContact CD2-CD2 3.53Å; F91-L95 HydrophobicContact CE2-CD2 4.22Å; F91-L95 HydrophobicContact CG-CD2 3.9Å; F91-N96 WeakPolarHBondContact CB-OD1 3.43Å; F91-N96 PolarHBondContact O-ND2 3.04Å; F91-L99 HydrophobicContact CD2-CD1 4.18Å; F91-L99 HydrophobicContact CE2-CD1 4.26Å
92T82.9Confident83.9Confident78 Ų7856.5 Ų56.548%0.47930%0.304SS..  trans-64.6150.9174.759.80000111.2E94 L95 N96T92-E94 PolarHBondContact O-N 2.88Å; T92-L95 PolarHBondContact O-N 3.31Å; T92-L95 VanDerWaalsContact O-N 3.13Å; T92-L95 WeakPolarHBondContact OG1-CB 3.43Å; T92-N96 PolarHBondContact O-N 3.44Å; T92-N96 PolarHBondContact O-ND2 3.26Å
93E82.2Confident84.1Confident157 Ų15756.5 Ų56.573%0.73430%0.304SS*.Hα-helixtrans-58.1-36.5179.2-70.1-174165.900112.4N96 H97E93-N96 PolarHBondContact O-N 2.66Å; E93-H97 PolarHBondContact O-CD2 3.05Å; E93-H97 VanDerWaalsContact O-CD2 3.3Å; E93-H97 PolarHBondContact O-N 2.8Å
94E84.8Confident84.4Confident149 Ų14955.9 Ų55.970%0.69630%0.302SS*.Hα-helixtrans-61.5-43.9176.7-63178.9175.900112T92 H97 L98T92-E94 PolarHBondContact O-N 2.88Å; E94-H97 PolarHBondContact O-N 3.11Å; E94-L98 PolarHBondContact O-N 3.49Å
95L83.3Confident84.7Confident4 Ų457.8 Ų57.82%0.02131%0.309CS..Hα-helixtrans-70.4-38.9179.3-165.2150000111.1L16 V24 F91 T92 H97 L98 L99L16-L95 HydrophobicContact CB-CD1 4.22Å; V24-L95 HydrophobicContact CG1-CD1 4.32Å; V24-L95 HydrophobicContact CG1-CG 4.29Å; V24-L95 HydrophobicContact CG2-CD1 3.98Å; F91-L95 HydrophobicContact CB-CD2 3.97Å; F91-L95 HydrophobicContact CD2-CD2 3.53Å; F91-L95 HydrophobicContact CE2-CD2 4.22Å; F91-L95 HydrophobicContact CG-CD2 3.9Å; T92-L95 PolarHBondContact O-N 3.31Å; T92-L95 VanDerWaalsContact O-N 3.13Å; T92-L95 WeakPolarHBondContact OG1-CB 3.43Å; L95-H97 VanDerWaalsContact C-N 3.35Å; L95-H97 PolarHBondContact O-N 2.96Å; L95-L98 WeakPolarHBondContact O-CB 3.18Å; L95-L98 PolarHBondContact O-N 3.02Å; L95-L99 HydrophobicContact CD2-CD1 3.53Å; L95-L99 HydrophobicContact CD2-CG 3.91Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 2.95Å
96N86.2Confident85.1Confident15 Ų1558.1 Ų58.18%0.0831%0.31CS..Hα-helixtrans-60.2-44.7174.6-68.6-24.5000111.7V86 F91 T92 E93 L99 Q100V86-N96 WeakPolarHBondContact CG1-OD1 3.35Å; F91-N96 WeakPolarHBondContact CB-OD1 3.43Å; F91-N96 PolarHBondContact O-ND2 3.04Å; T92-N96 PolarHBondContact O-N 3.44Å; T92-N96 PolarHBondContact O-ND2 3.26Å; E93-N96 PolarHBondContact O-N 2.66Å; N96-L99 PolarHBondContact O-N 3.07Å; N96-Q100 VanDerWaalsContact O-CB 3.23Å; N96-Q100 WeakPolarHBondContact O-CB 3.44Å; N96-Q100 PolarHBondContact O-N 3.33Å
97H86.4Confident85.4Confident111 Ų11161.9 Ų61.951%0.51432%0.324SS..Hα-helixtrans-63.5-40.5175.3-85.1-56.6000112.5E93 E94 L95 Q100 Q101E93-H97 PolarHBondContact O-CD2 3.05Å; E93-H97 VanDerWaalsContact O-CD2 3.3Å; E93-H97 PolarHBondContact O-N 2.8Å; E94-H97 PolarHBondContact O-N 3.11Å; L95-H97 VanDerWaalsContact C-N 3.35Å; L95-H97 PolarHBondContact O-N 2.96Å; H97-Q100 PolarHBondContact ND1-OE1 3.28Å; H97-Q100 PolarHBondContact O-N 2.9Å; H97-Q101 WeakPolarHBondContact O-CB 3.39Å; H97-Q101 PolarHBondContact O-N 2.95Å
98L87.6Confident85.6Confident44 Ų4464.8 Ų64.823%0.2333%0.332CS..Hα-helixtrans-62-47.3176.2-177.667.7000112S21 V24 E94 L95 Q100 Q101 L102S21-L98 WeakPolarHBondContact O-CD2 3.47Å; V24-L98 HydrophobicContact CB-CD2 4.26Å; V24-L98 HydrophobicContact CG1-CD2 4.23Å; E94-L98 PolarHBondContact O-N 3.49Å; L95-L98 WeakPolarHBondContact O-CB 3.18Å; L95-L98 PolarHBondContact O-N 3.02Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 2.94Å; L98-Q101 PolarHBondContact O-N 3.45Å; L98-L102 HydrophobicContact CG-CD1 4.38Å; L98-L102 WeakPolarHBondContact O-CG 3.33Å; L98-L102 PolarHBondContact O-N 3.36Å
99L87.4Confident86Confident3 Ų362.2 Ų62.22%0.01631%0.312CS..Hα-helixtrans-63.8-40.4178.1-68.9-178.8000112.1L65 L68 F82 V86 F91 L95 N96 L102 Y103L65-L99 HydrophobicContact CD2-CD2 3.4Å; L68-L99 HydrophobicContact CD2-CD1 4.25Å; F82-L99 HydrophobicContact CE1-CB 4.28Å; F82-L99 HydrophobicContact CZ-CB 4.34Å; V86-L99 HydrophobicContact CG1-CD1 4.02Å; F91-L99 HydrophobicContact CD2-CD1 4.18Å; F91-L99 HydrophobicContact CE2-CD1 4.26Å; L95-L99 HydrophobicContact CD2-CD1 3.53Å; L95-L99 HydrophobicContact CD2-CG 3.91Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 2.95Å; N96-L99 PolarHBondContact O-N 3.07Å; L99-L102 PolarHBondContact O-N 3.46Å; L99-Y103 WeakPolarHBondContact O-CB 3.43Å; L99-Y103 PolarHBondContact O-N 2.99Å
100Q89.3Confident86.5Confident7 Ų760.8 Ų60.83%0.03331%0.305CS..Hα-helixtrans-62.9-43.9176.1-179.2-174.720.300111.5E79 F82 Q83 N96 H97 L98 Y103 L104E79-Q100 HydrophobicContact CG-CG 4.41Å; E79-Q100 PolarHBondContact OE1-NE2 3.2Å; F82-Q100 HydrophobicContact CD1-CB 4.13Å; F82-Q100 HydrophobicContact CD1-CG 4.37Å; F82-Q100 HydrophobicContact CE1-CB 4.06Å; Q83-Q100 VanDerWaalsContact NE2-CD 3.27Å; N96-Q100 VanDerWaalsContact O-CB 3.23Å; N96-Q100 WeakPolarHBondContact O-CB 3.44Å; N96-Q100 PolarHBondContact O-N 3.33Å; H97-Q100 PolarHBondContact ND1-OE1 3.28Å; H97-Q100 PolarHBondContact O-N 2.9Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 2.94Å; Q100-Y103 WeakPolarHBondContact O-CB 3.32Å; Q100-Y103 PolarHBondContact O-N 3.33Å; Q100-L104 HydrophobicContact CG-CD1 4.31Å; Q100-L104 WeakPolarHBondContact O-CG 3.37Å; Q100-L104 PolarHBondContact O-N 2.86Å
101Q90.4Very high86.8Confident109 Ų10961.8 Ų61.851%0.50929%0.289SS..Hα-helixtrans-62.1-47.8176.3-176.1178.5-11.100111H97 L98 Y103 L104 E105H97-Q101 WeakPolarHBondContact O-CB 3.39Å; H97-Q101 PolarHBondContact O-N 2.95Å; L98-Q101 PolarHBondContact O-N 3.45Å; Q101-Y103 VanDerWaalsContact C-N 3.27Å; Q101-Y103 PolarHBondContact O-N 2.88Å; Q101-L104 PolarHBondContact O-N 3.27Å; Q101-E105 HydrophobicContact CG-CG 4.39Å; Q101-E105 VanDerWaalsContact CG-OE1 3.3Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.28Å; Q101-E105 PolarHBondContact NE2-OE1 3.11Å; Q101-E105 WeakPolarHBondContact O-CB 3.39Å; Q101-E105 WeakPolarHBondContact O-CG 3.35Å; Q101-E105 PolarHBondContact O-N 3.36Å
102L88.6Confident86.9Confident19 Ų1966.5 Ų66.510%0.09931%0.31CS..Hα-helixtrans-56.7-41.1175.9-76.9168.8000112.2L98 L99 N106L98-L102 HydrophobicContact CG-CD1 4.38Å; L98-L102 WeakPolarHBondContact O-CG 3.33Å; L98-L102 PolarHBondContact O-N 3.36Å; L99-L102 PolarHBondContact O-N 3.46Å; L102-N106 WeakPolarHBondContact O-CB 3.48Å; L102-N106 PolarHBondContact O-N 3.08Å; L102-N106 PolarHBondContact O-ND2 2.59Å
103Y89.5Confident87Confident1 Ų164.3 Ų64.30%0.00430%0.295CS..Hα-helixtrans-62.8-52.3174.7168.4-112.6000112S72 I77 F82 L99 Q100 Q101 E105 N106 R107S72-Y103 PolarHBondContact O-OH 3.5Å; S72-Y103 VanDerWaalsContact O-OH 3.13Å; I77-Y103 PolarHBondContact N-OH 3.39Å; I77-Y103 PolarHBondContact O-OH 2.92Å; F82-Y103 HydrophobicContact CD2-CD1 4.19Å; F82-Y103 HydrophobicContact CD2-CG 4.24Å; F82-Y103 HydrophobicContact CE2-CG 4.15Å; F82-Y103 HydrophobicContact CG-CD1 4.31Å; L99-Y103 WeakPolarHBondContact O-CB 3.43Å; L99-Y103 PolarHBondContact O-N 2.99Å; Q100-Y103 WeakPolarHBondContact O-CB 3.32Å; Q100-Y103 PolarHBondContact O-N 3.33Å; Q101-Y103 VanDerWaalsContact C-N 3.27Å; Q101-Y103 PolarHBondContact O-N 2.88Å; Y103-E105 VanDerWaalsContact C-N 3.31Å; Y103-E105 PolarHBondContact O-N 2.9Å; Y103-N106 PolarHBondContact O-N 3.35Å; Y103-R107 HydrophobicContact CD2-CB 4.11Å; Y103-R107 HydrophobicContact CE2-CB 3.71Å; Y103-R107 VanDerWaalsContact O-CB 3.22Å; Y103-R107 WeakPolarHBondContact O-CB 3.23Å; Y103-R107 PolarHBondContact O-N 3.14Å
104L89.6Confident86.9Confident53 Ų5359.4 Ų59.428%0.27727%0.274SS..Hα-helixtrans-63.6-36.4-175-71.6176.7000112.9E79 Q100 Q101E79-L104 HydrophobicContact CG-CD1 4.36Å; Q100-L104 HydrophobicContact CG-CD1 4.31Å; Q100-L104 WeakPolarHBondContact O-CG 3.37Å; Q100-L104 PolarHBondContact O-N 2.86Å; Q101-L104 PolarHBondContact O-N 3.27Å
105E91.8Very high86.4Confident117 Ų11754.3 Ų54.355%0.54726%0.262SS..Hα-helixtrans-67.9-43.7177.3-72.2177.1-176.200111.9Q101 Y103Q101-E105 HydrophobicContact CG-CG 4.39Å; Q101-E105 VanDerWaalsContact CG-OE1 3.3Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.28Å; Q101-E105 PolarHBondContact NE2-OE1 3.11Å; Q101-E105 WeakPolarHBondContact O-CB 3.39Å; Q101-E105 WeakPolarHBondContact O-CG 3.35Å; Q101-E105 PolarHBondContact O-N 3.36Å; Y103-E105 VanDerWaalsContact C-N 3.31Å; Y103-E105 PolarHBondContact O-N 2.9Å
106N89.9Confident86Confident17 Ų1760.8 Ų60.89%0.09129%0.292CS..Hα-helixtrans-100.5-13-169.4-61.2-71.8000114.6V32 L102 Y103 K108 E109 I110V32-N106 HydrophobicContact CG1-CB 4.43Å; V32-N106 HydrophobicContact CG2-CB 4.17Å; L102-N106 WeakPolarHBondContact O-CB 3.48Å; L102-N106 PolarHBondContact O-N 3.08Å; L102-N106 PolarHBondContact O-ND2 2.59Å; Y103-N106 PolarHBondContact O-N 3.35Å; N106-K108 VanDerWaalsContact C-N 3.26Å; N106-K108 PolarHBondContact O-N 2.94Å; N106-K108 VanDerWaalsContact O-N 3.09Å; N106-E109 PolarHBondContact O-N 2.82Å; N106-I110 HydrophobicContact CB-CD1 3.99Å; N106-I110 HydrophobicContact CB-CG1 4.34Å; N106-I110 WeakPolarHBondContact O-CG1 3.43Å; N106-I110 PolarHBondContact O-N 2.89Å
107R87.8Confident85.3Confident80 Ų8066.5 Ų66.530%0.30232%0.321SS..Hα-helixtrans-53.4-36.4-174.864.6-178.4177.1171.8-1.4115Y103 R111Y103-R107 HydrophobicContact CD2-CB 4.11Å; Y103-R107 HydrophobicContact CE2-CB 3.71Å; Y103-R107 VanDerWaalsContact O-CB 3.22Å; Y103-R107 WeakPolarHBondContact O-CB 3.23Å; Y103-R107 PolarHBondContact O-N 3.14Å; R107-R111 WeakPolarHBondContact O-CB 3.32Å; R107-R111 PolarHBondContact O-N 2.82Å; R107-R111 VanDerWaalsContact O-N 3.11Å
108K85.9Confident84.3Confident162 Ų16264.9 Ų64.970%0.70432%0.32SS*.Hα-helixtrans-69.7-40-178.4-71.4-175.5-179.6177.60111.1N106 H112N106-K108 VanDerWaalsContact C-N 3.26Å; N106-K108 PolarHBondContact O-N 2.94Å; N106-K108 VanDerWaalsContact O-N 3.09Å; K108-H112 PolarHBondContact O-N 3.46Å
109E86.6Confident83.3Confident64 Ų6468.1 Ų68.130%0.29934%0.343SS..Hα-helixtrans-75.7-45.2-179.2-174.4-177.5-16000111.3R36 N106 R111 H112 I113R36-E109 WeakPolarHBondContact CD-OE1 3.49Å; R36-E109 VanDerWaalsContact CZ-CD 3.43Å; R36-E109 IonicContact CZ-OE1 3.69Å; R36-E109 IonicContact CZ-OE2 3.77Å; R36-E109 IonicContact NE-OE1 3.68Å; R36-E109 PolarHBondContact NE-OE1 3.18Å; R36-E109 IonicContact NE-OE2 3.83Å; R36-E109 PolarHBondContact NE-OE2 3.23Å; R36-E109 IonicContact NH1-OE1 3.63Å; R36-E109 IonicContact NH2-OE1 3.43Å; R36-E109 PolarHBondContact NH2-OE1 2.75Å; R36-E109 IonicContact NH2-OE2 3.08Å; R36-E109 PolarHBondContact NH2-OE2 3.35Å; N106-E109 PolarHBondContact O-N 2.82Å; E109-R111 PolarHBondContact O-N 3.06Å; E109-H112 WeakPolarHBondContact O-CA 3.35Å; E109-H112 WeakPolarHBondContact O-CB 3.38Å; E109-H112 PolarHBondContact O-N 2.75Å; E109-I113 HydrophobicContact CG-CD1 4.15Å; E109-I113 WeakPolarHBondContact O-CG1 3.26Å; E109-I113 PolarHBondContact O-N 3.13Å
110I87.1Confident82.3Confident4 Ų471.1 Ų71.12%0.02136%0.364CS..Hα-helixtrans-56.3-42174.8-64.5171.8000110L35 L69 N106 I113 L114L35-I110 HydrophobicContact CD1-CD1 3.8Å; L35-I110 HydrophobicContact CD1-CG1 4.03Å; L69-I110 HydrophobicContact CB-CD1 3.86Å; N106-I110 HydrophobicContact CB-CD1 3.99Å; N106-I110 HydrophobicContact CB-CG1 4.34Å; N106-I110 WeakPolarHBondContact O-CG1 3.43Å; N106-I110 PolarHBondContact O-N 2.89Å; I110-I113 PolarHBondContact O-N 3.16Å; I110-L114 HydrophobicContact CG2-CD1 4.01Å; I110-L114 HydrophobicContact CG2-CG 4.47Å; I110-L114 WeakPolarHBondContact O-CB 3.36Å; I110-L114 VanDerWaalsContact O-CG 3.26Å; I110-L114 WeakPolarHBondContact O-CG 3.2Å; I110-L114 PolarHBondContact O-N 3.39Å
111R83.8Confident81.6Confident86 Ų8676.6 Ų76.633%0.32539%0.393SS..Hα-helixtrans-63.1-40.1173.7173.3173.8-69.7-109.4-43.5113.4S73 K74 M76 R107 E109 L114 G115S73-R111 PolarHBondContact O-NH2 3.48Å; K74-R111 PolarHBondContact O-NH2 3.21Å; M76-R111 PolarHBondContact SD-NE 3.33Å; M76-R111 PolarHBondContact SD-NH1 2.9Å; M76-R111 PolarHBondContact SD-NH2 3.46Å; M76-R111 VanDerWaalsContact SD-NH2 3.37Å; R107-R111 WeakPolarHBondContact O-CB 3.32Å; R107-R111 PolarHBondContact O-N 2.82Å; R107-R111 VanDerWaalsContact O-N 3.11Å; E109-R111 PolarHBondContact O-N 3.06Å; R111-L114 PolarHBondContact O-N 2.88Å; R111-G115 PolarHBondContact O-N 3.27Å
112H83.6Confident81.2Confident116 Ų11674 Ų7454%0.53739%0.386SS..Hα-helixtrans-62.2-46.6176.5-179.149.9000110.7K108 E109 L114 G115 E116K108-H112 PolarHBondContact O-N 3.46Å; E109-H112 WeakPolarHBondContact O-CA 3.35Å; E109-H112 WeakPolarHBondContact O-CB 3.38Å; E109-H112 PolarHBondContact O-N 2.75Å; H112-L114 PolarHBondContact O-N 2.91Å; H112-G115 CarbonylContact O-C 3.54Å; H112-G115 WeakPolarHBondContact O-CA 3.44Å; H112-G115 PolarHBondContact O-N 3.09Å; H112-E116 IonicContact CE1-OE1 3.09Å; H112-E116 IonicContact NE2-OE1 2.94Å; H112-E116 PolarHBondContact O-N 3.38Å
113I84.5Confident81.1Confident32 Ų3278.6 Ų78.616%0.16441%0.407CS..Hα-helixtrans-59.4-47175.9-64.1161.3000111.1R36 E109 I110 G115 E116 L117R36-I113 HydrophobicContact CB-CD1 4.44Å; R36-I113 HydrophobicContact CG-CD1 3.9Å; E109-I113 HydrophobicContact CG-CD1 4.15Å; E109-I113 WeakPolarHBondContact O-CG1 3.26Å; E109-I113 PolarHBondContact O-N 3.13Å; I110-I113 PolarHBondContact O-N 3.16Å; I113-G115 PolarHBondContact O-N 3.15Å; I113-E116 PolarHBondContact O-N 3.31Å; I113-L117 HydrophobicContact CG2-CD1 4.13Å; I113-L117 WeakPolarHBondContact O-CG 3.49Å; I113-L117 PolarHBondContact O-N 3.46Å
114L80.6Confident81.1Confident55 Ų5585.3 Ų85.329%0.28843%0.433SS..Hα-helixtrans-60.7-35.8175.3-69.9168.4000111.9T70 K74 I110 R111 H112 L117 T118T70-L114 HydrophobicContact CG2-CD1 4.11Å; T70-L114 HydrophobicContact CG2-CD2 3.99Å; K74-L114 HydrophobicContact CB-CD1 4.38Å; I110-L114 HydrophobicContact CG2-CD1 4.01Å; I110-L114 HydrophobicContact CG2-CG 4.47Å; I110-L114 WeakPolarHBondContact O-CB 3.36Å; I110-L114 VanDerWaalsContact O-CG 3.26Å; I110-L114 WeakPolarHBondContact O-CG 3.2Å; I110-L114 PolarHBondContact O-N 3.39Å; R111-L114 PolarHBondContact O-N 2.88Å; H112-L114 PolarHBondContact O-N 2.91Å; L114-L117 PolarHBondContact O-N 2.87Å; L114-T118 PolarHBondContact O-N 3.05Å; L114-T118 VanDerWaalsContact O-N 3.15Å; L114-T118 PolarHBondContact O-OG1 2.97Å
115G74.6Confident81.2Confident42 Ų4287 Ų8743%0.43344%0.44SS..Hα-helixtrans-65-40173.900000113.5R111 H112 I113 L117 T118R111-G115 PolarHBondContact O-N 3.27Å; H112-G115 CarbonylContact O-C 3.54Å; H112-G115 WeakPolarHBondContact O-CA 3.44Å; H112-G115 PolarHBondContact O-N 3.09Å; I113-G115 PolarHBondContact O-N 3.15Å; G115-L117 VanDerWaalsContact C-N 3.32Å; G115-T118 VanDerWaalsContact CA-OG1 3.27Å; G115-T118 WeakPolarHBondContact CA-OG1 3.48Å; G115-T118 PolarHBondContact O-N 2.88Å; G115-T118 PolarHBondContact O-OG1 3.49Å; G115-T118 VanDerWaalsContact O-OG1 3.04Å
116E75.8Confident81.4Confident139 Ų13984.7 Ų84.765%0.6543%0.431SS*.Hα-helixtrans-68.2-33.1175.1-68.5-171.8149.500112.3H112 I113 T118H112-E116 IonicContact CE1-OE1 3.09Å; H112-E116 IonicContact NE2-OE1 2.94Å; H112-E116 PolarHBondContact O-N 3.38Å; I113-E116 PolarHBondContact O-N 3.31Å; E116-T118 VanDerWaalsContact C-N 3.29Å
117L70.9Confident81.6Confident135 Ų13586.9 Ų86.971%0.70744%0.442SS*.Hα-helixtrans-76.1-16.9176.4-66.6169.2000112.9I113 L114 G115I113-L117 HydrophobicContact CG2-CD1 4.13Å; I113-L117 WeakPolarHBondContact O-CG 3.49Å; I113-L117 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 2.87Å; G115-L117 VanDerWaalsContact C-N 3.32Å
118T65.8Low82.1Confident78 Ų7887.6 Ų87.648%0.47945%0.449SS..SBendtrans-80.5134.7177.8-10000109.8L114 G115 E116 S120L114-T118 PolarHBondContact O-N 3.05Å; L114-T118 VanDerWaalsContact O-N 3.15Å; L114-T118 PolarHBondContact O-OG1 2.97Å; G115-T118 VanDerWaalsContact CA-OG1 3.27Å; G115-T118 WeakPolarHBondContact CA-OG1 3.48Å; G115-T118 PolarHBondContact O-N 2.88Å; G115-T118 PolarHBondContact O-OG1 3.49Å; G115-T118 VanDerWaalsContact O-OG1 3.04Å; E116-T118 VanDerWaalsContact C-N 3.29Å; T118-S120 PolarHBondContact O-N 2.91Å
119P65.1Low82.6Confident111 Ų11188.5 Ų88.572%0.72145%0.448SS*.  trans-59.5115.8175.521.2-30.4000110.1L121P119-L121 PolarHBondContact O-N 3.39Å
120S66.4Low83.1Confident66 Ų6692.6 Ų92.646%0.46246%0.461SS..  trans-65.896171.7158.90000109.3T118 S157T118-S120 PolarHBondContact O-N 2.91Å; S120-S157 VanDerWaalsContact CB-OG 3.31Å; S120-S157 WeakPolarHBondContact CB-OG 3.37Å; S120-S157 WeakPolarHBondContact OG-CB 3.4Å; S120-S157 PolarHBondContact OG-OG 3.16Å
121L75Confident83.5Confident122 Ų12296.6 Ų96.664%0.63948%0.482SS*.PPolyproline II helixtrans-81.5142.3169.1-71.7164.8000109.2P119 H123P119-L121 PolarHBondContact O-N 3.39Å; L121-H123 PolarHBondContact O-CE1 3.07Å; L121-H123 PolarHBondContact O-N 2.95Å; L121-H123 PolarHBondContact O-ND1 3.02Å
122P83Confident84.1Confident56 Ų5695.2 Ų95.236%0.36448%0.481SS..PPolyproline II helixtrans-62.5128.3171.5-18.830.1000110.1L154 E156P122-L154 HydrophobicContact CB-CB 3.89Å; P122-L154 HydrophobicContact CB-CD1 4.18Å; P122-E156 HydrophobicContact CB-CG 4.14Å; P122-E156 HydrophobicContact CG-CG 4.13Å
123H85.2Confident84.7Confident114 Ų11493.2 Ų93.253%0.52848%0.477SS..EExtended strand (participates in β ladder)trans-95.2144.5-179.7-57.389.5000110.4L121 H125 L154 E155L121-H123 PolarHBondContact O-CE1 3.07Å; L121-H123 PolarHBondContact O-N 2.95Å; L121-H123 PolarHBondContact O-ND1 3.02Å; H123-H125 PolarHBondContact O-N 3.12Å; H123-L154 CarbonylContact O-C 3.56Å; H123-L154 VanDerWaalsContact O-CA 3.24Å; H123-L154 WeakPolarHBondContact O-CA 3.21Å; H123-E155 PolarHBondContact N-O 3.1Å; H123-E155 PolarHBondContact O-N 2.92Å
124Y90.8Very high85.1Confident142 Ų14295.7 Ų95.756%0.55749%0.487SS*.EExtended strand (participates in β ladder)trans-65.1129.8175.7169.9-94.9000111.1N126 L127 L152Y124-N126 VanDerWaalsContact CE2-C 3.48Å; Y124-N126 WeakPolarHBondContact CE2-O 3.24Å; Y124-L127 HydrophobicContact CE2-CB 3.96Å; Y124-L127 VanDerWaalsContact OH-CB 3.22Å; Y124-L127 WeakPolarHBondContact OH-CB 3.37Å; Y124-L127 PolarHBondContact OH-N 3.39Å; Y124-L127 VanDerWaalsContact OH-N 3.16Å; Y124-L152 HydrophobicContact CD2-CD2 4.24Å; Y124-L152 HydrophobicContact CE2-CD2 4.12Å
125H91.4Very high85.8Confident90 Ų9098.8 Ų98.842%0.41750%0.503SS..EExtended strand (participates in β ladder)trans-113.8-49177.3-179.579000112.7H123 H153 E155H123-H125 PolarHBondContact O-N 3.12Å; H125-H153 HydrophobicContact CB-CB 4.45Å; H125-H153 PolarHBondContact N-O 2.86Å; H125-E155 HydrophobicContact CB-CG 3.83Å; H125-E155 IonicContact CD2-OE1 2.72Å; H125-E155 IonicContact CE1-OE1 3.83Å; H125-E155 PolarHBondContact CE1-OE1 3.2Å; H125-E155 IonicContact CE1-OE2 3.59Å; H125-E155 VanDerWaalsContact CG-CD 3.48Å; H125-E155 IonicContact CG-OE1 3.76Å; H125-E155 IonicContact CG-OE2 3.5Å; H125-E155 IonicContact ND1-OE1 3.75Å; H125-E155 PolarHBondContact ND1-OE1 3.43Å; H125-E155 IonicContact ND1-OE2 3.46Å; H125-E155 PolarHBondContact ND1-OE2 2.84Å; H125-E155 IonicContact NE2-OE1 2.75Å
126N94.9Very high86.7Confident67 Ų6799.1 Ų99.136%0.35850%0.503SS..EExtended strand (participates in β ladder)trans-153.9157.8-175.5-172.336.2000112.4Y124 H153Y124-N126 VanDerWaalsContact CE2-C 3.48Å; Y124-N126 WeakPolarHBondContact CE2-O 3.24Å; N126-H153 HydrophobicContact CB-CB 3.93Å; N126-H153 PolarHBondContact N-O 3.45Å; N126-H153 PolarHBondContact O-N 3.08Å
127L95.3Very high87.4Confident63 Ų6394.3 Ų94.333%0.3348%0.484SS..EExtended strand (participates in β ladder)trans-130.3119.7174.6174.565.9000109.8Y124 M150 K151 L152Y124-L127 HydrophobicContact CE2-CB 3.96Å; Y124-L127 VanDerWaalsContact OH-CB 3.22Å; Y124-L127 WeakPolarHBondContact OH-CB 3.37Å; Y124-L127 PolarHBondContact OH-N 3.39Å; Y124-L127 VanDerWaalsContact OH-N 3.16Å; L127-M150 HydrophobicContact CD1-CB 3.89Å; L127-M150 HydrophobicContact CD1-CG 4.24Å; L127-K151 WeakPolarHBondContact CA-O 3.44Å; L127-L152 HydrophobicContact CD1-CD2 3.84Å; L127-L152 HydrophobicContact CD1-CG 4.39Å
128E97.4Very high88.5Confident95 Ų95100 Ų10044%0.44450%0.496SS..EExtended strand (participates in β ladder)trans-100.8142.3165.1-61.7174.4168.400108.7M150 K151 H153E128-M150 CarbonylContact O-C 3.6Å; E128-M150 WeakPolarHBondContact O-CA 3.33Å; E128-K151 HydrophobicContact CB-CB 4.3Å; E128-K151 PolarHBondContact N-O 3.28Å; E128-K151 PolarHBondContact O-N 3.32Å; E128-K151 IonicContact OE2-NZ 2.68Å; E128-K151 PolarHBondContact OE2-NZ 2.9Å; E128-H153 IonicContact OE1-NE2 2.93Å; E128-H153 IonicContact OE2-NE2 2.96Å
129W96.9Very high89.7Confident181 Ų181101.1 Ų101.169%0.68651%0.513SS*.EExtended strand (participates in β ladder)trans-140.1154.1177.969.2-87.8000112L131 T149 M150W129-L131 HydrophobicContact CE3-CB 4.48Å; W129-L131 HydrophobicContact CZ3-CB 3.94Å; W129-T149 CarbonylContact C-O 3.51Å; W129-T149 VanDerWaalsContact CA-O 3.22Å; W129-T149 WeakPolarHBondContact CA-O 3.39Å; W129-M150 HydrophobicContact CB-CG 4.26Å
130R96.9Very high91Very high150 Ų150100.1 Ų100.157%0.56650%0.502SS*.EExtended strand (participates in β ladder)trans-141.3133.9174.6-170.2176.875.3-166.81.3109.7D132 V148 T149R130-D132 WeakPolarHBondContact CD-OD1 3.36Å; R130-D132 IonicContact CZ-OD1 3.69Å; R130-D132 IonicContact CZ-OD2 3.21Å; R130-D132 VanDerWaalsContact NE-CG 3.31Å; R130-D132 IonicContact NE-OD1 2.97Å; R130-D132 PolarHBondContact NE-OD1 2.75Å; R130-D132 IonicContact NE-OD2 2.88Å; R130-D132 PolarHBondContact NE-OD2 3.31Å; R130-D132 IonicContact NH2-OD1 3.89Å; R130-D132 IonicContact NH2-OD2 2.74Å; R130-D132 PolarHBondContact NH2-OD2 3.15Å; R130-V148 WeakPolarHBondContact O-CA 3.47Å; R130-T149 PolarHBondContact N-O 3.02Å; R130-T149 PolarHBondContact O-N 3.44Å
131L96.1Very high92.1Very high89 Ų89106.9 Ų106.947%0.46652%0.517SS..EExtended strand (participates in β ladder)trans-102.7117.5169.8172.765.8000109W129 V133 P146 V148W129-L131 HydrophobicContact CE3-CB 4.48Å; W129-L131 HydrophobicContact CZ3-CB 3.94Å; L131-V133 HydrophobicContact CD1-CG2 4.39Å; L131-V133 HydrophobicContact CG-CG2 4.24Å; L131-P146 HydrophobicContact CD1-CB 4.16Å; L131-V148 HydrophobicContact CD1-CG2 3.83Å
132D96.3Very high92.9Very high57 Ų57109.2 Ų109.231%0.30552%0.524SS..EExtended strand (participates in β ladder)trans-106.6139.2173.1-63.1-39.4000109.2R130 P146 T147R130-D132 WeakPolarHBondContact CD-OD1 3.36Å; R130-D132 IonicContact CZ-OD1 3.69Å; R130-D132 IonicContact CZ-OD2 3.21Å; R130-D132 VanDerWaalsContact NE-CG 3.31Å; R130-D132 IonicContact NE-OD1 2.97Å; R130-D132 PolarHBondContact NE-OD1 2.75Å; R130-D132 IonicContact NE-OD2 2.88Å; R130-D132 PolarHBondContact NE-OD2 3.31Å; R130-D132 IonicContact NH2-OD1 3.89Å; R130-D132 IonicContact NH2-OD2 2.74Å; R130-D132 PolarHBondContact NH2-OD2 3.15Å; D132-P146 CarbonylContact O-C 3.57Å; D132-P146 WeakPolarHBondContact O-CA 3.48Å; D132-T147 PolarHBondContact N-O 3.21Å; D132-T147 PolarHBondContact O-N 3.04Å
133V95.4Very high93.3Very high74 Ų74108.4 Ų108.445%0.44852%0.516SS..EExtended strand (participates in β ladder)trans-126.3117177.8-175.50000109.9L131 L135 V144 P146L131-V133 HydrophobicContact CD1-CG2 4.39Å; L131-V133 HydrophobicContact CG-CG2 4.24Å; V133-L135 HydrophobicContact CG1-CD2 3.84Å; V133-V144 HydrophobicContact CG1-CG1 3.88Å; V133-P146 HydrophobicContact CG2-CB 4.38Å
134Q93.8Very high93.5Very high84 Ų84108.3 Ų108.339%0.39352%0.523SS..EExtended strand (participates in β ladder)trans-90.7109.3174.7-169.3-175.710.500110.3A136 Q143 V144 K145Q134-A136 WeakPolarHBondContact CG-O 3.47Å; Q134-A136 PolarHBondContact NE2-O 3.41Å; Q134-Q143 VanDerWaalsContact NE2-NE2 3.12Å; Q134-V144 WeakPolarHBondContact O-CA 3.1Å; Q134-K145 HydrophobicContact CB-CB 4.22Å; Q134-K145 PolarHBondContact N-O 3.48Å; Q134-K145 PolarHBondContact O-N 2.9Å
135L94.3Very high93.7Very high119 Ų119107.4 Ų107.462%0.62352%0.522SS*.  trans-85.4-20.9-178.8-59.8177000114V133 Q143 V144V133-L135 HydrophobicContact CG1-CD2 3.84Å; L135-Q143 CarbonylContact C-O 3.56Å; L135-Q143 WeakPolarHBondContact CA-O 3.46Å; L135-Q143 PolarHBondContact O-N 3.08Å; L135-V144 HydrophobicContact CD2-CG2 4.36Å
136A93.4Very high93.9Very high50 Ų50105.2 Ų105.241%0.41352%0.516SS..  trans-158.9158.4-178.600000111Q134 R141 Q143Q134-A136 WeakPolarHBondContact CG-O 3.47Å; Q134-A136 PolarHBondContact NE2-O 3.41Å; A136-R141 WeakPolarHBondContact CB-O 3.41Å; A136-Q143 PolarHBondContact O-NE2 2.96Å
137S91.4Very high94Very high37 Ų37103.2 Ų103.226%0.25951%0.506SS..  trans-133.4168.3164.369.30000109.4A139 L140S137-A139 PolarHBondContact O-N 3.02Å; S137-L140 PolarHBondContact N-O 2.93Å; S137-L140 CarbonylContact O-C 3.32Å; S137-L140 VanDerWaalsContact O-C 3.32Å; S137-L140 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact OG-N 3.17Å; S137-L140 PolarHBondContact OG-O 3.06Å
138R93.2Very high94.1Very high255 Ų255100.8 Ų100.896%0.96249%0.494SS*.SBendtrans-58.9-34.8175.9-67.4-173.2-179.6-149.41.1112.1
139A91.9Very high94.1Very high102 Ų10297.6 Ų97.684%0.84348%0.48SS*.SBendtrans-84.8-28179.600000113.2S137S137-A139 PolarHBondContact O-N 3.02Å
140L91.9Very high94.1Very high90 Ų9089.9 Ų89.947%0.47145%0.452SS..  trans-137.699.9-176.6-17559000110.7S137 H142 Q143S137-L140 PolarHBondContact N-O 2.93Å; S137-L140 CarbonylContact O-C 3.32Å; S137-L140 VanDerWaalsContact O-C 3.32Å; S137-L140 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact OG-N 3.17Å; S137-L140 PolarHBondContact OG-O 3.06Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.68Å; L140-Q143 HydrophobicContact CD2-CB 3.8Å; L140-Q143 HydrophobicContact CD2-CG 4.48Å; L140-Q143 HydrophobicContact CG-CB 4.06Å; L140-Q143 HydrophobicContact CG-CG 4.44Å
141R90.3Very high94.1Very high207 Ų20786.1 Ų86.178%0.78144%0.44SS*.SBendtrans-73.9-19.1-174-65.9-174.1-179.8176.50.1114.6A136A136-R141 WeakPolarHBondContact CB-O 3.41Å
142H90.6Very high94Very high171 Ų17184.1 Ų84.179%0.79243%0.43SS*.SBendtrans-123.995.8178.2-63.980000108.4L140L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.68Å
143Q90.9Very high94Very high40 Ų4083.3 Ų83.319%0.18742%0.424CS..  trans-145.9154.6173.857176.718.800109.6Q134 L135 A136 L140Q134-Q143 VanDerWaalsContact NE2-NE2 3.12Å; L135-Q143 CarbonylContact C-O 3.56Å; L135-Q143 WeakPolarHBondContact CA-O 3.46Å; L135-Q143 PolarHBondContact O-N 3.08Å; A136-Q143 PolarHBondContact O-NE2 2.96Å; L140-Q143 HydrophobicContact CD2-CB 3.8Å; L140-Q143 HydrophobicContact CD2-CG 4.48Å; L140-Q143 HydrophobicContact CG-CB 4.06Å; L140-Q143 HydrophobicContact CG-CG 4.44Å
144V91.4Very high93.8Very high112 Ų11281 Ų8168%0.67941%0.409SS*.  trans-130.9101.7167.9-178.90000106.2V133 Q134 L135 P146V133-V144 HydrophobicContact CG1-CG1 3.88Å; Q134-V144 WeakPolarHBondContact O-CA 3.1Å; L135-V144 HydrophobicContact CD2-CG2 4.36Å; V144-P146 WeakPolarHBondContact O-CD 3.27Å
145K93.9Very high93.6Very high123 Ų12379.9 Ų79.954%0.53540%0.403SS..EExtended strand (participates in β ladder)trans-113.892178.9-171.8179.4179.5179.30109.2Q134Q134-K145 HydrophobicContact CB-CB 4.22Å; Q134-K145 PolarHBondContact N-O 3.48Å; Q134-K145 PolarHBondContact O-N 2.9Å
146P95.8Very high93.1Very high44 Ų4478.2 Ų78.229%0.28639%0.393SS..EExtended strand (participates in β ladder)trans-71.3146.5171.930.6-33.4000110.1L131 D132 V133 V144 P170L131-P146 HydrophobicContact CD1-CB 4.16Å; D132-P146 CarbonylContact O-C 3.57Å; D132-P146 WeakPolarHBondContact O-CA 3.48Å; V133-P146 HydrophobicContact CG2-CB 4.38Å; V144-P146 WeakPolarHBondContact O-CD 3.27Å; P146-P170 HydrophobicContact CB-CG 3.69Å; P146-P170 HydrophobicContact CG-CG 3.59Å
147T96.4Very high92Very high25 Ų2579.8 Ų79.815%0.15340%0.4CS..EExtended strand (participates in β ladder)trans-145.5123.9-179.3-66.40000108.2D132 Q167D132-T147 PolarHBondContact N-O 3.21Å; D132-T147 PolarHBondContact O-N 3.04Å; T147-Q167 VanDerWaalsContact CG2-CD 3.46Å; T147-Q167 HydrophobicContact CG2-CG 3.44Å; T147-Q167 VanDerWaalsContact CG2-CG 3.44Å
148V97.1Very high90.9Very high12 Ų1281.6 Ų81.67%0.07343%0.425CS..EExtended strand (participates in β ladder)trans-103.8122.3176.8-175.40000108.5R130 L131 M150 Q167 T168 L173R130-V148 WeakPolarHBondContact O-CA 3.47Å; L131-V148 HydrophobicContact CD1-CG2 3.83Å; V148-M150 HydrophobicContact CG1-CG 4.1Å; V148-Q167 CarbonylContact O-C 3Å; V148-Q167 WeakPolarHBondContact O-CA 3.42Å; V148-T168 HydrophobicContact CB-CG2 4.18Å; V148-T168 PolarHBondContact N-O 3.42Å; V148-T168 PolarHBondContact O-N 2.83Å; V148-L173 HydrophobicContact CB-CD2 4.47Å; V148-L173 HydrophobicContact CG1-CD2 4.17Å; V148-L173 HydrophobicContact CG2-CD2 4.17Å
149T97.6Very high89.9Confident27 Ų2772.2 Ų72.217%0.16641%0.408CS..EExtended strand (participates in β ladder)trans-105.8130.7172.2-56.90000108.3W129 R130 V165 L166W129-T149 CarbonylContact C-O 3.51Å; W129-T149 VanDerWaalsContact CA-O 3.22Å; W129-T149 WeakPolarHBondContact CA-O 3.39Å; R130-T149 PolarHBondContact N-O 3.02Å; R130-T149 PolarHBondContact O-N 3.44Å; T149-V165 HydrophobicContact CG2-CG1 3.91Å; T149-L166 CarbonylContact C-O 3.49Å; T149-L166 WeakPolarHBondContact CA-O 3.31Å
150M96.6Very high89.4Confident20 Ų2073 Ų7310%0.09940%0.398CS..EExtended strand (participates in β ladder)trans-124.4139-179.1-69.9178-65.400109.2L127 E128 W129 V148 V165 L166 T168 L173L127-M150 HydrophobicContact CD1-CB 3.89Å; L127-M150 HydrophobicContact CD1-CG 4.24Å; E128-M150 CarbonylContact O-C 3.6Å; E128-M150 WeakPolarHBondContact O-CA 3.33Å; W129-M150 HydrophobicContact CB-CG 4.26Å; V148-M150 HydrophobicContact CG1-CG 4.1Å; M150-V165 CarbonylContact O-C 3.5Å; M150-V165 WeakPolarHBondContact O-CA 3.14Å; M150-L166 PolarHBondContact N-O 2.69Å; M150-L166 PolarHBondContact O-N 3.49Å; M150-T168 HydrophobicContact CE-CG2 3.83Å; M150-L173 HydrophobicContact CE-CD1 4.02Å; M150-L173 HydrophobicContact SD-CD1 3.84Å
151K97.1Very high89.2Confident70 Ų7075.1 Ų75.130%0.30440%0.403SS..EExtended strand (participates in β ladder)trans-123.8109.7174.7179.9-179.1168.5-1540108.7L127 E128 H153 A163 K164 V165L127-K151 WeakPolarHBondContact CA-O 3.44Å; E128-K151 HydrophobicContact CB-CB 4.3Å; E128-K151 PolarHBondContact N-O 3.28Å; E128-K151 PolarHBondContact O-N 3.32Å; E128-K151 IonicContact OE2-NZ 2.68Å; E128-K151 PolarHBondContact OE2-NZ 2.9Å; K151-H153 VanDerWaalsContact CE-CE1 3.49Å; K151-H153 WeakPolarHBondContact CE-CE1 3.47Å; K151-A163 HydrophobicContact CG-CB 4.31Å; K151-K164 WeakPolarHBondContact CA-O 3.32Å; K151-V165 HydrophobicContact CB-CG2 4.28Å; K151-V165 HydrophobicContact CD-CG2 4.4Å; K151-V165 HydrophobicContact CG-CG2 4.01Å
152L95.1Very high89.2Confident48 Ų4867.1 Ų67.125%0.25138%0.379SS..EExtended strand (participates in β ladder)trans-87.6118.3178.4-66165.3000108.8Y124 L127 A163 K164 L166Y124-L152 HydrophobicContact CD2-CD2 4.24Å; Y124-L152 HydrophobicContact CE2-CD2 4.12Å; L127-L152 HydrophobicContact CD1-CD2 3.84Å; L127-L152 HydrophobicContact CD1-CG 4.39Å; L152-A163 CarbonylContact O-C 3.53Å; L152-A163 VanDerWaalsContact O-CA 3.23Å; L152-A163 WeakPolarHBondContact O-CA 3.47Å; L152-K164 PolarHBondContact N-O 3.34Å; L152-K164 PolarHBondContact O-N 3.24Å; L152-L166 HydrophobicContact CD1-CD1 3.48Å; L152-L166 VanDerWaalsContact CD1-CD1 3.48Å; L152-L166 HydrophobicContact CD1-CG 4.46Å; L152-L166 HydrophobicContact CG-CD1 4.39Å
153H94.9Very high89.3Confident39 Ų3961.5 Ų61.518%0.18136%0.362CS..EExtended strand (participates in β ladder)trans-90.4126.1169.3-65.3-98.4000108.9H125 N126 E128 K151H125-H153 HydrophobicContact CB-CB 4.45Å; H125-H153 PolarHBondContact N-O 2.86Å; N126-H153 HydrophobicContact CB-CB 3.93Å; N126-H153 PolarHBondContact N-O 3.45Å; N126-H153 PolarHBondContact O-N 3.08Å; E128-H153 IonicContact OE1-NE2 2.93Å; E128-H153 IonicContact OE2-NE2 2.96Å; K151-H153 VanDerWaalsContact CE-CE1 3.49Å; K151-H153 WeakPolarHBondContact CE-CE1 3.47Å
154L92.8Very high89.5Confident26 Ų2665.7 Ų65.714%0.13638%0.38CS..EExtended strand (participates in β ladder)trans-119.7141.5-178.4-52.2173.4000109.2P122 H123 K161 S162 K164P122-L154 HydrophobicContact CB-CB 3.89Å; P122-L154 HydrophobicContact CB-CD1 4.18Å; H123-L154 CarbonylContact O-C 3.56Å; H123-L154 VanDerWaalsContact O-CA 3.24Å; H123-L154 WeakPolarHBondContact O-CA 3.21Å; L154-K161 CarbonylContact O-C 3.51Å; L154-K161 WeakPolarHBondContact O-CA 3.49Å; L154-S162 PolarHBondContact N-O 3.12Å; L154-S162 PolarHBondContact O-N 3.42Å; L154-K164 HydrophobicContact CD1-CD 4.09Å; L154-K164 HydrophobicContact CD1-CG 4.25Å
155E89.8Confident89.7Confident60 Ų6065 Ų6528%0.2838%0.376SS..EExtended strand (participates in β ladder)trans-112.8126.3175.7-79.1178.9164.300110H123 H125 K161H123-E155 PolarHBondContact N-O 3.1Å; H123-E155 PolarHBondContact O-N 2.92Å; H125-E155 HydrophobicContact CB-CG 3.83Å; H125-E155 IonicContact CD2-OE1 2.72Å; H125-E155 IonicContact CE1-OE1 3.83Å; H125-E155 PolarHBondContact CE1-OE1 3.2Å; H125-E155 IonicContact CE1-OE2 3.59Å; H125-E155 VanDerWaalsContact CG-CD 3.48Å; H125-E155 IonicContact CG-OE1 3.76Å; H125-E155 IonicContact CG-OE2 3.5Å; H125-E155 IonicContact ND1-OE1 3.75Å; H125-E155 PolarHBondContact ND1-OE1 3.43Å; H125-E155 IonicContact ND1-OE2 3.46Å; H125-E155 PolarHBondContact ND1-OE2 2.84Å; H125-E155 IonicContact NE2-OE1 2.75Å; E155-K161 HydrophobicContact CG-CD 4.46Å; E155-K161 HydrophobicContact CG-CG 4.13Å; E155-K161 WeakPolarHBondContact OE1-CE 3.26Å; E155-K161 IonicContact OE1-NZ 2.82Å; E155-K161 PolarHBondContact OE1-NZ 2.79Å
156E83Confident89.7Confident84 Ų8463.1 Ų63.139%0.39337%0.371SS..  trans-90.5156.8172.5-67.3-176.1-171.600110.8P122 G158 G159 D160P122-E156 HydrophobicContact CB-CG 4.14Å; P122-E156 HydrophobicContact CG-CG 4.13Å; E156-G158 PolarHBondContact O-N 3.48Å; E156-G159 PolarHBondContact O-N 3.31Å; E156-D160 PolarHBondContact N-O 2.88Å
157S69.4Low89.7Confident83 Ų8367.7 Ų67.758%0.5839%0.389SS*.THydrogen-bonded Turntrans-61-15.2-175.4-47.90000113.7S120S120-S157 VanDerWaalsContact CB-OG 3.31Å; S120-S157 WeakPolarHBondContact CB-OG 3.37Å; S120-S157 WeakPolarHBondContact OG-CB 3.4Å; S120-S157 PolarHBondContact OG-OG 3.16Å
158G68.6Low89.7Confident76 Ų7667.7 Ų67.778%0.78439%0.389SS*.THydrogen-bonded Turntrans-88.83.9173.600000115.4E156 D160E156-G158 PolarHBondContact O-N 3.48Å; G158-D160 VanDerWaalsContact C-N 3.29Å; G158-D160 PolarHBondContact O-N 2.99Å
159G72.6Confident89.6Confident57 Ų5770.4 Ų70.459%0.58840%0.402SS*.SBendtrans84.3-3.6-177.800000114.8E156E156-G159 PolarHBondContact O-N 3.31Å
160D81.1Confident89.5Confident118 Ų11871.5 Ų71.563%0.63141%0.41SS*.  trans-68.2130.9173.3-94-16.4000110.8E156 G158E156-D160 PolarHBondContact N-O 2.88Å; G158-D160 VanDerWaalsContact C-N 3.29Å; G158-D160 PolarHBondContact O-N 2.99Å
161K88.3Confident89.3Confident136 Ų13673.9 Ų73.959%0.59143%0.433SS*.EExtended strand (participates in β ladder)trans-102.5120.6178.3-58.2-163.7-178.6-144.90109.3L154 E155L154-K161 CarbonylContact O-C 3.51Å; L154-K161 WeakPolarHBondContact O-CA 3.49Å; E155-K161 HydrophobicContact CG-CD 4.46Å; E155-K161 HydrophobicContact CG-CG 4.13Å; E155-K161 WeakPolarHBondContact OE1-CE 3.26Å; E155-K161 IonicContact OE1-NZ 2.82Å; E155-K161 PolarHBondContact OE1-NZ 2.79Å
162S90.8Very high89.2Confident38 Ų3873.7 Ų73.727%0.26644%0.438SS..EExtended strand (participates in β ladder)trans-109.8154.717267.60000110.9L154L154-S162 PolarHBondContact N-O 3.12Å; L154-S162 PolarHBondContact O-N 3.42Å
163A92.9Very high89.3Confident54 Ų5473.2 Ų73.245%0.44644%0.435SS..EExtended strand (participates in β ladder)trans-129.3131.2176.400000110.5K151 L152K151-A163 HydrophobicContact CG-CB 4.31Å; L152-A163 CarbonylContact O-C 3.53Å; L152-A163 VanDerWaalsContact O-CA 3.23Å; L152-A163 WeakPolarHBondContact O-CA 3.47Å
164K93.5Very high89.3Confident128 Ų12876.5 Ų76.556%0.55745%0.452SS*.EExtended strand (participates in β ladder)trans-114.6124174.8-67.8-169.6179.5-178.10110.1K151 L152 L154K151-K164 WeakPolarHBondContact CA-O 3.32Å; L152-K164 PolarHBondContact N-O 3.34Å; L152-K164 PolarHBondContact O-N 3.24Å; L154-K164 HydrophobicContact CD1-CD 4.09Å; L154-K164 HydrophobicContact CD1-CG 4.25Å
165V95.6Very high89.5Confident98 Ų9880.1 Ų80.159%0.59447%0.468SS*.EExtended strand (participates in β ladder)trans-98.1132177.8-176.90000109.3T149 M150 K151T149-V165 HydrophobicContact CG2-CG1 3.91Å; M150-V165 CarbonylContact O-C 3.5Å; M150-V165 WeakPolarHBondContact O-CA 3.14Å; K151-V165 HydrophobicContact CB-CG2 4.28Å; K151-V165 HydrophobicContact CD-CG2 4.4Å; K151-V165 HydrophobicContact CG-CG2 4.01Å
166L94.9Very high89.8Confident82 Ų8280.8 Ų80.843%0.42947%0.473SS..EExtended strand (participates in β ladder)trans-128.4146.8-179.8-59.8170.4000108.5T149 M150 L152T149-L166 CarbonylContact C-O 3.49Å; T149-L166 WeakPolarHBondContact CA-O 3.31Å; M150-L166 PolarHBondContact N-O 2.69Å; M150-L166 PolarHBondContact O-N 3.49Å; L152-L166 HydrophobicContact CD1-CD1 3.48Å; L152-L166 VanDerWaalsContact CD1-CD1 3.48Å; L152-L166 HydrophobicContact CD1-CG 4.46Å; L152-L166 HydrophobicContact CG-CD1 4.39Å
167Q96.5Very high90.4Very high141 Ų14180 Ų8066%0.65947%0.471SS*.EExtended strand (participates in β ladder)trans-134.2137.1175.6-171-178.5-4400109.2T147 V148T147-Q167 VanDerWaalsContact CG2-CD 3.46Å; T147-Q167 HydrophobicContact CG2-CG 3.44Å; T147-Q167 VanDerWaalsContact CG2-CG 3.44Å; V148-Q167 CarbonylContact O-C 3Å; V148-Q167 WeakPolarHBondContact O-CA 3.42Å
168T96.4Very high91.7Very high25 Ų2580.5 Ų80.515%0.15346%0.464CS..EExtended strand (participates in β ladder)trans-151.3163.8-173.8-163.90000111.2V148 M150 T172 L173V148-T168 HydrophobicContact CB-CG2 4.18Å; V148-T168 PolarHBondContact N-O 3.42Å; V148-T168 PolarHBondContact O-N 2.83Å; M150-T168 HydrophobicContact CE-CG2 3.83Å; T168-T172 WeakPolarHBondContact OG1-CB 3.38Å; T168-T172 WeakPolarHBondContact OG1-CG2 3.4Å; T168-L173 HydrophobicContact CG2-CB 3.96Å
169D95.3Very high93.1Very high68 Ų6880.7 Ų80.736%0.36445%0.445SS..  trans-89162.4168.269.587000110.7A171 T172 L173D169-A171 VanDerWaalsContact C-N 3.29Å; D169-A171 PolarHBondContact O-N 3Å; D169-A171 WeakPolarHBondContact OD1-CA 3.34Å; D169-A171 VanDerWaalsContact OD1-CB 3.28Å; D169-A171 WeakPolarHBondContact OD1-CB 3.22Å; D169-A171 PolarHBondContact OD1-N 2.88Å; D169-T172 PolarHBondContact O-N 2.94Å; D169-T172 PolarHBondContact OD1-N 2.83Å; D169-T172 VanDerWaalsContact OD2-CB 3.3Å; D169-T172 WeakPolarHBondContact OD2-CB 3.24Å; D169-T172 PolarHBondContact OD2-OG1 2.97Å; D169-L173 PolarHBondContact O-N 3.36Å
170P93.7Very high94.1Very high50 Ų5082.8 Ų82.833%0.32544%0.442SS..Hα-helixtrans-60.5-31.6-178.5-26.636.1000115P146 L173 M174P146-P170 HydrophobicContact CB-CG 3.69Å; P146-P170 HydrophobicContact CG-CG 3.59Å; P170-L173 PolarHBondContact O-N 3.03Å; P170-M174 WeakPolarHBondContact O-CG 3.49Å; P170-M174 PolarHBondContact O-N 3.33Å
171A93.9Very high94.9Very high70 Ų7082.9 Ų82.958%0.57944%0.438SS*.Hα-helixtrans-71.7-42.318000000110.6D169 L173 M174 H175D169-A171 VanDerWaalsContact C-N 3.29Å; D169-A171 PolarHBondContact O-N 3Å; D169-A171 WeakPolarHBondContact OD1-CA 3.34Å; D169-A171 VanDerWaalsContact OD1-CB 3.28Å; D169-A171 WeakPolarHBondContact OD1-CB 3.22Å; D169-A171 PolarHBondContact OD1-N 2.88Å; A171-L173 VanDerWaalsContact C-N 3.33Å; A171-L173 PolarHBondContact O-N 3.42Å; A171-M174 WeakPolarHBondContact O-CB 3.29Å; A171-M174 PolarHBondContact O-N 2.98Å; A171-H175 PolarHBondContact O-N 3.34Å
172T95.4Very high95.3Very high67 Ų6782 Ų8241%0.41143%0.434SS..Hα-helixtrans-65.3-36173.3-58.70000111.7T168 D169 H175 L176T168-T172 WeakPolarHBondContact OG1-CB 3.38Å; T168-T172 WeakPolarHBondContact OG1-CG2 3.4Å; D169-T172 PolarHBondContact O-N 2.94Å; D169-T172 PolarHBondContact OD1-N 2.83Å; D169-T172 VanDerWaalsContact OD2-CB 3.3Å; D169-T172 WeakPolarHBondContact OD2-CB 3.24Å; D169-T172 PolarHBondContact OD2-OG1 2.97Å; T172-H175 WeakPolarHBondContact O-CB 3.38Å; T172-H175 PolarHBondContact O-N 3.17Å; T172-L176 PolarHBondContact O-N 2.97Å
173L95.4Very high95.4Very high38 Ų3882.4 Ų82.420%0.19944%0.441CS..Hα-helixtrans-61.6-43.6172.7-179.261.8000112.1V148 M150 T168 D169 P170 A171 H175 L176 I177V148-L173 HydrophobicContact CB-CD2 4.47Å; V148-L173 HydrophobicContact CG1-CD2 4.17Å; V148-L173 HydrophobicContact CG2-CD2 4.17Å; M150-L173 HydrophobicContact CE-CD1 4.02Å; M150-L173 HydrophobicContact SD-CD1 3.84Å; T168-L173 HydrophobicContact CG2-CB 3.96Å; D169-L173 PolarHBondContact O-N 3.36Å; P170-L173 PolarHBondContact O-N 3.03Å; A171-L173 VanDerWaalsContact C-N 3.33Å; A171-L173 PolarHBondContact O-N 3.42Å; L173-H175 VanDerWaalsContact C-N 3.29Å; L173-H175 PolarHBondContact O-N 3.49Å; L173-L176 PolarHBondContact O-N 2.89Å; L173-I177 HydrophobicContact CG-CD1 4.21Å; L173-I177 WeakPolarHBondContact O-CG1 3.34Å; L173-I177 PolarHBondContact O-N 3.1Å
174M96.1Very high95.3Very high108 Ų10885 Ų8553%0.53245%0.446SS..Hα-helixtrans-60.5-40.7175.3-74.1-60.2-58.700111.7P170 A171 I177 Q178P170-M174 WeakPolarHBondContact O-CG 3.49Å; P170-M174 PolarHBondContact O-N 3.33Å; A171-M174 WeakPolarHBondContact O-CB 3.29Å; A171-M174 PolarHBondContact O-N 2.98Å; M174-I177 PolarHBondContact O-N 3.41Å; M174-I177 HydrophobicContact SD-CD1 4.44Å; M174-Q178 WeakPolarHBondContact O-CG 3.49Å; M174-Q178 PolarHBondContact O-N 3.34Å; M174-Q178 VanDerWaalsContact O-N 3.1Å
175H96.6Very high95.3Very high102 Ų10281.6 Ų81.647%0.47244%0.442SS..Hα-helixtrans-62.7-44174.6-177.621.2000111.8A171 T172 L173 I177 Q178 E179A171-H175 PolarHBondContact O-N 3.34Å; T172-H175 WeakPolarHBondContact O-CB 3.38Å; T172-H175 PolarHBondContact O-N 3.17Å; L173-H175 VanDerWaalsContact C-N 3.29Å; L173-H175 PolarHBondContact O-N 3.49Å; H175-I177 VanDerWaalsContact C-N 3.33Å; H175-I177 PolarHBondContact O-N 2.93Å; H175-Q178 WeakPolarHBondContact O-CB 3.46Å; H175-Q178 PolarHBondContact O-N 3.23Å; H175-Q178 VanDerWaalsContact O-N 3.17Å; H175-E179 VanDerWaalsContact CE1-CG 3.41Å; H175-E179 WeakPolarHBondContact CE1-CG 3.41Å; H175-E179 IonicContact CE1-OE1 3.32Å; H175-E179 PolarHBondContact CE1-OE1 2.82Å; H175-E179 IonicContact ND1-OE1 3.75Å; H175-E179 PolarHBondContact O-N 2.99Å
176L95.1Very high95.1Very high74 Ų7482.7 Ų82.739%0.38744%0.441SS..Hα-helixtrans-60-42.6177.7-175.6148.3000111.8T172 L173 Q178 E179 L180T172-L176 PolarHBondContact O-N 2.97Å; L173-L176 PolarHBondContact O-N 2.89Å; L176-Q178 VanDerWaalsContact C-N 3.35Å; L176-Q178 PolarHBondContact O-N 2.99Å; L176-E179 PolarHBondContact O-N 2.78Å; L176-L180 HydrophobicContact CD2-CD1 3.53Å; L176-L180 HydrophobicContact CD2-CG 4.18Å; L176-L180 WeakPolarHBondContact O-CG 3.46Å; L176-L180 PolarHBondContact O-N 2.81Å
177I95.8Very high94.8Very high66 Ų6682.8 Ų82.834%0.33844%0.441SS..Hα-helixtrans-59.5-47175.1-67.7165.5000110.5L173 M174 H175 E179 L180 E181L173-I177 HydrophobicContact CG-CD1 4.21Å; L173-I177 WeakPolarHBondContact O-CG1 3.34Å; L173-I177 PolarHBondContact O-N 3.1Å; M174-I177 PolarHBondContact O-N 3.41Å; M174-I177 HydrophobicContact SD-CD1 4.44Å; H175-I177 VanDerWaalsContact C-N 3.33Å; H175-I177 PolarHBondContact O-N 2.93Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 2.84Å; I177-L180 PolarHBondContact O-N 3.3Å; I177-E181 HydrophobicContact CG2-CG 4.38Å; I177-E181 WeakPolarHBondContact O-CG 3.37Å; I177-E181 PolarHBondContact O-N 2.72Å
178Q97.3Very high94.3Very high94 Ų9483 Ų8344%0.43944%0.44SS..Hα-helixtrans-61-41.4179-71.3173.2-1.900112.5M174 H175 L176 E181 K182M174-Q178 WeakPolarHBondContact O-CG 3.49Å; M174-Q178 PolarHBondContact O-N 3.34Å; M174-Q178 VanDerWaalsContact O-N 3.1Å; H175-Q178 WeakPolarHBondContact O-CB 3.46Å; H175-Q178 PolarHBondContact O-N 3.23Å; H175-Q178 VanDerWaalsContact O-N 3.17Å; L176-Q178 VanDerWaalsContact C-N 3.35Å; L176-Q178 PolarHBondContact O-N 2.99Å; Q178-E181 PolarHBondContact O-N 3.42Å; Q178-K182 VanDerWaalsContact O-CG 3.29Å; Q178-K182 WeakPolarHBondContact O-CG 3.23Å; Q178-K182 PolarHBondContact O-N 3.02Å
179E97.4Very high94.1Very high81 Ų8184.4 Ų84.438%0.37945%0.449SS..Hα-helixtrans-67.8-38.6177.3-67.3-52.9128.200112H175 L176 I177 K182 A183H175-E179 VanDerWaalsContact CE1-CG 3.41Å; H175-E179 WeakPolarHBondContact CE1-CG 3.41Å; H175-E179 IonicContact CE1-OE1 3.32Å; H175-E179 PolarHBondContact CE1-OE1 2.82Å; H175-E179 IonicContact ND1-OE1 3.75Å; H175-E179 PolarHBondContact O-N 2.99Å; L176-E179 PolarHBondContact O-N 2.78Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 2.84Å; E179-K182 PolarHBondContact O-N 2.97Å; E179-K182 IonicContact OE1-NZ 3.63Å; E179-K182 PolarHBondContact OE1-NZ 3.42Å; E179-A183 WeakPolarHBondContact O-CB 3.36Å; E179-A183 PolarHBondContact O-N 3.43Å
180L95.1Very high93.7Very high101 Ų10187.1 Ų87.153%0.52947%0.468SS..Hα-helixtrans-65.2-39.9174.1-69.9179.2000112.1L176 I177 A183 L184L176-L180 HydrophobicContact CD2-CD1 3.53Å; L176-L180 HydrophobicContact CD2-CG 4.18Å; L176-L180 WeakPolarHBondContact O-CG 3.46Å; L176-L180 PolarHBondContact O-N 2.81Å; I177-L180 PolarHBondContact O-N 3.3Å; L180-A183 PolarHBondContact O-N 3.26Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 3.27Å
181E96.7Very high93.4Very high119 Ų11989.9 Ų89.956%0.55648%0.476SS*.Hα-helixtrans-64-41174.9-74.8177.9167.600112I177 Q178 L184 A185I177-E181 HydrophobicContact CG2-CG 4.38Å; I177-E181 WeakPolarHBondContact O-CG 3.37Å; I177-E181 PolarHBondContact O-N 2.72Å; Q178-E181 PolarHBondContact O-N 3.42Å; E181-L184 PolarHBondContact O-N 3.32Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.44Å
182K96Very high92.9Very high117 Ų11787.6 Ų87.651%0.50946%0.455SS..Hα-helixtrans-61.4-46.1173.2-73.6172.7-170.5170.40111.3Q178 E179 L184 A185 E186Q178-K182 VanDerWaalsContact O-CG 3.29Å; Q178-K182 WeakPolarHBondContact O-CG 3.23Å; Q178-K182 PolarHBondContact O-N 3.02Å; E179-K182 PolarHBondContact O-N 2.97Å; E179-K182 IonicContact OE1-NZ 3.63Å; E179-K182 PolarHBondContact OE1-NZ 3.42Å; K182-L184 VanDerWaalsContact C-N 3.32Å; K182-L184 PolarHBondContact O-N 3.19Å; K182-A185 WeakPolarHBondContact O-CB 3.39Å; K182-A185 PolarHBondContact O-N 2.93Å; K182-A185 VanDerWaalsContact O-N 3.12Å; K182-E186 PolarHBondContact O-N 2.79Å
183A92.8Very high92.2Very high48 Ų4890.8 Ų90.840%0.39746%0.46SS..Hα-helixtrans-60.2-42176.600000111.7E179 L180 A185 E186 L187E179-A183 WeakPolarHBondContact O-CB 3.36Å; E179-A183 PolarHBondContact O-N 3.43Å; L180-A183 PolarHBondContact O-N 3.26Å; A183-A185 VanDerWaalsContact C-N 3.33Å; A183-A185 PolarHBondContact O-N 2.84Å; A183-E186 PolarHBondContact O-N 2.88Å; A183-L187 WeakPolarHBondContact O-CG 3.49Å; A183-L187 PolarHBondContact O-N 3.06Å; A183-L187 VanDerWaalsContact O-N 3.1Å
184L92.1Very high91.4Very high108 Ų10896.7 Ų96.757%0.56548%0.48SS*.Hα-helixtrans-64.2-35.9174.4-74.1172.9000112.9L180 E181 K182 L187L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 3.27Å; E181-L184 PolarHBondContact O-N 3.32Å; K182-L184 VanDerWaalsContact C-N 3.32Å; K182-L184 PolarHBondContact O-N 3.19Å; L184-L187 HydrophobicContact CD2-CD1 4.26Å
185A93.4Very high90.6Very high56 Ų5695 Ų9546%0.46347%0.472SS..Hα-helixtrans-68.5-39173.900000111.5E181 K182 A183 L187 K188E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.44Å; K182-A185 WeakPolarHBondContact O-CB 3.39Å; K182-A185 PolarHBondContact O-N 2.93Å; K182-A185 VanDerWaalsContact O-N 3.12Å; A183-A185 VanDerWaalsContact C-N 3.33Å; A183-A185 PolarHBondContact O-N 2.84Å; A185-L187 VanDerWaalsContact C-N 3.34Å; A185-L187 PolarHBondContact O-N 2.84Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 2.79Å
186E92Very high89.4Confident122 Ų12294.1 Ų94.157%0.5747%0.47SS*.Hα-helixtrans-63.9-37.3178.6-168.9171.1-170.800112.2K182 A183 K188 T189 C192K182-E186 PolarHBondContact O-N 2.79Å; A183-E186 PolarHBondContact O-N 2.88Å; E186-K188 PolarHBondContact O-N 2.97Å; E186-T189 HydrophobicContact CG-CG2 4.46Å; E186-T189 VanDerWaalsContact O-CB 3.26Å; E186-T189 WeakPolarHBondContact O-CB 3.43Å; E186-T189 WeakPolarHBondContact O-CG2 3.28Å; E186-T189 PolarHBondContact O-N 2.95Å; E186-T189 PolarHBondContact O-OG1 2.75Å; E186-C192 WeakPolarHBondContact O-CB 3.45Å; E186-C192 PolarHBondContact O-SG 3.27Å
187L86.9Confident88.1Confident83 Ų8398.2 Ų98.244%0.43548%0.481SS..THydrogen-bonded Turntrans-56.8-25.2172.1-70.3172000113.1A183 L184 A185 T189 L196A183-L187 WeakPolarHBondContact O-CG 3.49Å; A183-L187 PolarHBondContact O-N 3.06Å; A183-L187 VanDerWaalsContact O-N 3.1Å; L184-L187 HydrophobicContact CD2-CD1 4.26Å; A185-L187 VanDerWaalsContact C-N 3.34Å; A185-L187 PolarHBondContact O-N 2.84Å; L187-T189 VanDerWaalsContact C-N 3.31Å; L187-L196 HydrophobicContact CD2-CD1 4.1Å
188K87.6Confident86.3Confident145 Ų14599.8 Ų99.863%0.6349%0.49SS*.THydrogen-bonded Turntrans-81.4-8.5177.8-60.2176.3-176174.20113A185 E186 R193A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 2.79Å; E186-K188 PolarHBondContact O-N 2.97Å; K188-R193 PolarHBondContact O-NE 3.49Å; K188-R193 PolarHBondContact O-NH2 3.26Å; K188-R193 VanDerWaalsContact O-NH2 3.13Å
189T91.7Very high84.6Confident56 Ų56100.8 Ų100.834%0.34450%0.497SS..SBendtrans-67.9154.9178.966.50000111.7E186 L187 H191 C192 R193E186-T189 HydrophobicContact CG-CG2 4.46Å; E186-T189 VanDerWaalsContact O-CB 3.26Å; E186-T189 WeakPolarHBondContact O-CB 3.43Å; E186-T189 WeakPolarHBondContact O-CG2 3.28Å; E186-T189 PolarHBondContact O-N 2.95Å; E186-T189 PolarHBondContact O-OG1 2.75Å; L187-T189 VanDerWaalsContact C-N 3.31Å; T189-H191 VanDerWaalsContact C-N 3.27Å; T189-H191 PolarHBondContact O-N 2.64Å; T189-C192 PolarHBondContact O-N 3.3Å; T189-C192 WeakPolarHBondContact OG1-CB 3.39Å; T189-C192 PolarHBondContact OG1-N 2.81Å; T189-C192 PolarHBondContact OG1-SG 2.84Å; T189-R193 WeakPolarHBondContact O-CB 3.38Å; T189-R193 VanDerWaalsContact O-CG 3.24Å; T189-R193 WeakPolarHBondContact O-CG 3.49Å; T189-R193 PolarHBondContact O-N 2.8Å
190T87.5Confident82.2Confident125 Ų125107.1 Ų107.177%0.76752%0.523SS*.Hα-helixtrans-60.5-38.1177.345.80000112.1R194T190-R194 WeakPolarHBondContact O-CB 3.13Å; T190-R194 PolarHBondContact O-N 2.97Å
191H86.6Confident81.6Confident108 Ų108107.4 Ų107.450%0.552%0.523SS..Hα-helixtrans-63.4-54.2178.1-174.476.7000111.9T189 R193 R194 I195T189-H191 VanDerWaalsContact C-N 3.27Å; T189-H191 PolarHBondContact O-N 2.64Å; H191-R193 VanDerWaalsContact C-N 3.35Å; H191-R193 PolarHBondContact O-N 2.95Å; H191-R194 WeakPolarHBondContact O-CB 3.3Å; H191-R194 PolarHBondContact O-N 2.79Å; H191-R194 VanDerWaalsContact O-N 3.12Å; H191-I195 WeakPolarHBondContact NE2-CD1 3.13Å; H191-I195 PolarHBondContact O-N 2.74Å; H191-I195 VanDerWaalsContact O-N 3.08Å
192C82.9Confident80.8Confident21 Ų21106.8 Ų106.814%0.14252%0.521CS..Hα-helixtrans-64.8-37.3178.7-67.40000112.3E186 T189 R194 I195 L196E186-C192 WeakPolarHBondContact O-CB 3.45Å; E186-C192 PolarHBondContact O-SG 3.27Å; T189-C192 PolarHBondContact O-N 3.3Å; T189-C192 WeakPolarHBondContact OG1-CB 3.39Å; T189-C192 PolarHBondContact OG1-N 2.81Å; T189-C192 PolarHBondContact OG1-SG 2.84Å; C192-R194 VanDerWaalsContact C-N 3.29Å; C192-R194 PolarHBondContact O-N 3.35Å; C192-I195 PolarHBondContact O-N 2.88Å; C192-L196 WeakPolarHBondContact O-CB 3.4Å; C192-L196 WeakPolarHBondContact O-CG 3.35Å; C192-L196 PolarHBondContact O-N 2.94Å
193R81.6Confident79.9Confident134 Ų134106.2 Ų106.251%0.50652%0.522SS..Hα-helixtrans-60.8-37.5172.9-74.4179.4-170.7-178.18.3112.6K188 T189 H191 R197K188-R193 PolarHBondContact O-NE 3.49Å; K188-R193 PolarHBondContact O-NH2 3.26Å; K188-R193 VanDerWaalsContact O-NH2 3.13Å; T189-R193 WeakPolarHBondContact O-CB 3.38Å; T189-R193 VanDerWaalsContact O-CG 3.24Å; T189-R193 WeakPolarHBondContact O-CG 3.49Å; T189-R193 PolarHBondContact O-N 2.8Å; H191-R193 VanDerWaalsContact C-N 3.35Å; H191-R193 PolarHBondContact O-N 2.95Å; R193-R197 WeakPolarHBondContact O-CG 3.48Å; R193-R197 PolarHBondContact O-N 3.43Å
194R78.9Confident79.2Confident163 Ų163109.6 Ų109.662%0.61553%0.529SS*.Hα-helixtrans-65.7-41.7175.7-170.9175.670160.53.6111T190 H191 C192T190-R194 WeakPolarHBondContact O-CB 3.13Å; T190-R194 PolarHBondContact O-N 2.97Å; H191-R194 WeakPolarHBondContact O-CB 3.3Å; H191-R194 PolarHBondContact O-N 2.79Å; H191-R194 VanDerWaalsContact O-N 3.12Å; C192-R194 VanDerWaalsContact C-N 3.29Å; C192-R194 PolarHBondContact O-N 3.35Å
195I79.1Confident78.4Confident71 Ų71109.8 Ų109.836%0.36453%0.527SS..Hα-helixtrans-64.3-48.6176.1-67.8172.6000111H191 C192 R197 N198 I199H191-I195 WeakPolarHBondContact NE2-CD1 3.13Å; H191-I195 PolarHBondContact O-N 2.74Å; H191-I195 VanDerWaalsContact O-N 3.08Å; C192-I195 PolarHBondContact O-N 2.88Å; I195-R197 PolarHBondContact O-N 3.44Å; I195-N198 WeakPolarHBondContact O-CA 3.11Å; I195-N198 WeakPolarHBondContact O-CB 3.33Å; I195-N198 PolarHBondContact O-N 3.28Å; I195-I199 HydrophobicContact CG2-CD1 3.35Å; I195-I199 HydrophobicContact CG2-CG1 4.19Å; I195-I199 WeakPolarHBondContact O-CG1 3.35Å; I195-I199 PolarHBondContact O-N 3.29Å
196L70.3Confident77.4Confident84 Ų84113.3 Ų113.344%0.4453%0.531SS..Hα-helixtrans-61.8-28.5-179.4-74.6171000113.8L187 C192 N198L187-L196 HydrophobicContact CD2-CD1 4.1Å; C192-L196 WeakPolarHBondContact O-CB 3.4Å; C192-L196 WeakPolarHBondContact O-CG 3.35Å; C192-L196 PolarHBondContact O-N 2.94Å; L196-N198 PolarHBondContact O-N 3.25Å
197R68.1Low76.3Confident160 Ų160112.7 Ų112.760%0.60453%0.528SS*.Hα-helixtrans-63-27.7172-76.4174.2-175.8-178.7-0.1112.5R193 I195R193-R197 WeakPolarHBondContact O-CG 3.48Å; R193-R197 PolarHBondContact O-N 3.43Å; I195-R197 PolarHBondContact O-N 3.44Å
198N57.8Low75.5Confident100 Ų100115 Ų11554%0.53554%0.536SS..Hα-helixtrans-98.2-7.2-174.8-62.4-14.4000113.5K74 I195 L196K74-N198 WeakPolarHBondContact CE-O 3.44Å; K74-N198 PolarHBondContact NZ-O 2.97Å; I195-N198 WeakPolarHBondContact O-CA 3.11Å; I195-N198 WeakPolarHBondContact O-CB 3.33Å; I195-N198 PolarHBondContact O-N 3.28Å; L196-N198 PolarHBondContact O-N 3.25Å
199I61.5Low74.5Confident115 Ų115112.5 Ų112.559%0.5953%0.528SS*.  trans-107.52.8-173.6-66.3-176.8000113I195I195-I199 HydrophobicContact CG2-CD1 3.35Å; I195-I199 HydrophobicContact CG2-CG1 4.19Å; I195-I199 WeakPolarHBondContact O-CG1 3.35Å; I195-I199 PolarHBondContact O-N 3.29Å
200K48Very low72.9Confident213 Ų213117.6 Ų117.693%0.92654%0.544SS*.  trans-75.90177.2-83.1-169.3177.5-174.50114.3

Retrieved 200 of 200 residues in 1059.6 ms (Link to these results)

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