A0A087YNG2_POEFO Loading...

Troponin C, skeletal muscle

AlphaFold DB , UniProt , Accession A0A087YNG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1M62.3Low79.2Confident139 Ų13983.5 Ų83.569%0.68543%0.427SS*.  096.40-71.3-160.5116.400109E74M1-E74 HydrophobicContact CE-CG 4.22Å; M1-E74 WeakPolarHBondContact CE-OE2 3.45Å
2T77.1Confident79.6Confident48 Ų4877.7 Ų77.729%0.29440%0.397SS..  trans-77.7167.1171.360.40000110.1A4 Q5 Q6 E65T2-A4 PolarHBondContact O-N 3.02Å; T2-Q5 PolarHBondContact O-N 2.98Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.43Å; T2-Q5 PolarHBondContact OG1-N 2.88Å; T2-Q6 PolarHBondContact O-N 2.77Å; T2-Q6 VanDerWaalsContact O-N 3.13Å; T2-E65 VanDerWaalsContact CB-OE2 3.3Å; T2-E65 WeakPolarHBondContact CB-OE2 3.35Å; T2-E65 WeakPolarHBondContact CG2-OE2 3.34Å; T2-E65 PolarHBondContact OG1-OE2 2.66Å
3D79.8Confident80.1Confident141 Ų14176.7 Ų76.775%0.75440%0.402SS*.Hα-helixtrans-60.3-35.9178-69-21.9000111.1Q6 E7D3-Q6 PolarHBondContact O-N 2.99Å; D3-E7 WeakPolarHBondContact O-CB 3.21Å; D3-E7 PolarHBondContact O-N 3.06Å
4A77.1Confident80.5Confident39 Ų3984.4 Ų84.432%0.32244%0.435SS..Hα-helixtrans-63.8-45.4176.100000112.4T2 Q6 E7 A8 V78T2-A4 PolarHBondContact O-N 3.02Å; A4-Q6 VanDerWaalsContact C-N 3.3Å; A4-Q6 PolarHBondContact O-N 3.23Å; A4-E7 PolarHBondContact O-N 3.29Å; A4-A8 WeakPolarHBondContact O-CB 3.45Å; A4-A8 PolarHBondContact O-N 3.49Å; A4-V78 HydrophobicContact CB-CG1 4.31Å; A4-V78 HydrophobicContact CB-CG2 4.3Å
5Q80Confident80.9Confident14 Ų1489.5 Ų89.57%0.06546%0.456CS..Hα-helixtrans-61.7-38.9176.7-70172.1-19.900111.7T2 R9 E74 V78T2-Q5 PolarHBondContact O-N 2.98Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.43Å; T2-Q5 PolarHBondContact OG1-N 2.88Å; Q5-R9 WeakPolarHBondContact O-CB 3.45Å; Q5-R9 PolarHBondContact O-N 3.12Å; Q5-R9 VanDerWaalsContact O-N 3.16Å; Q5-E74 HydrophobicContact CB-CB 4.38Å; Q5-E74 HydrophobicContact CG-CB 4Å; Q5-V78 HydrophobicContact CB-CG2 4.25Å; Q5-V78 HydrophobicContact CG-CG2 3.76Å
6Q81.9Confident80.9Confident125 Ų12587.9 Ų87.958%0.58445%0.447SS*.Hα-helixtrans-73.1-38179.6-158162.438.100112.3T2 D3 A4 S10T2-Q6 PolarHBondContact O-N 2.77Å; T2-Q6 VanDerWaalsContact O-N 3.13Å; D3-Q6 PolarHBondContact O-N 2.99Å; A4-Q6 VanDerWaalsContact C-N 3.3Å; A4-Q6 PolarHBondContact O-N 3.23Å; Q6-S10 WeakPolarHBondContact O-CB 3.4Å; Q6-S10 PolarHBondContact O-N 2.73Å; Q6-S10 VanDerWaalsContact O-N 3.12Å
7E82.4Confident81.2Confident104 Ų10484.8 Ų84.849%0.48643%0.431SS..Hα-helixtrans-64.1-50.6173.7-170.4-169.7153.500111.1D3 A4 R9 S10 Y11 K85D3-E7 WeakPolarHBondContact O-CB 3.21Å; D3-E7 PolarHBondContact O-N 3.06Å; A4-E7 PolarHBondContact O-N 3.29Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 2.92Å; E7-S10 PolarHBondContact O-N 3.46Å; E7-S10 PolarHBondContact O-OG 3.33Å; E7-Y11 PolarHBondContact O-N 2.91Å; E7-K85 IonicContact OE1-NZ 2.79Å; E7-K85 PolarHBondContact OE1-NZ 3.46Å
8A82.7Confident81.5Confident3 Ų383.3 Ų83.33%0.02543%0.434CS..Hα-helixtrans-54.4-48.8179.400000111.1A4 S10 Y11 L12 V78 V81A4-A8 WeakPolarHBondContact O-CB 3.45Å; A4-A8 PolarHBondContact O-N 3.49Å; A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 3.5Å; A8-Y11 WeakPolarHBondContact O-CB 3.31Å; A8-Y11 PolarHBondContact O-N 3.17Å; A8-L12 VanDerWaalsContact O-CG 3.28Å; A8-L12 WeakPolarHBondContact O-CG 3.48Å; A8-L12 PolarHBondContact O-N 3.21Å; A8-V78 HydrophobicContact CB-CG2 3.94Å; A8-V81 HydrophobicContact CB-CB 4.02Å; A8-V81 HydrophobicContact CB-CG1 4.36Å; A8-V81 HydrophobicContact CB-CG2 3.84Å
9R82.1Confident81.7Confident107 Ų10786.2 Ų86.240%0.40445%0.445SS..Hα-helixtrans-63.6-31.7177.5-160.9179.2-169.41333.2113.8Q5 E7 L17 E74Q5-R9 WeakPolarHBondContact O-CB 3.45Å; Q5-R9 PolarHBondContact O-N 3.12Å; Q5-R9 VanDerWaalsContact O-N 3.16Å; E7-R9 VanDerWaalsContact C-N 3.31Å; E7-R9 PolarHBondContact O-N 2.92Å; R9-L17 HydrophobicContact CG-CD1 3.81Å; R9-E74 IonicContact CZ-OE1 2.96Å; R9-E74 VanDerWaalsContact NH1-CD 3.26Å; R9-E74 IonicContact NH1-OE1 2.97Å; R9-E74 PolarHBondContact NH1-OE1 3.06Å; R9-E74 IonicContact NH1-OE2 2.76Å; R9-E74 PolarHBondContact NH1-OE2 2.65Å
10S84.6Confident81.9Confident97 Ų9783.3 Ų83.368%0.67843%0.429SS*.Hα-helixtrans-76.7-25.7177.578.40000113.3Q6 E7 A8Q6-S10 WeakPolarHBondContact O-CB 3.4Å; Q6-S10 PolarHBondContact O-N 2.73Å; Q6-S10 VanDerWaalsContact O-N 3.12Å; E7-S10 PolarHBondContact O-N 3.46Å; E7-S10 PolarHBondContact O-OG 3.33Å; A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 3.5Å
11Y81.3Confident82.2Confident102 Ų10283.1 Ų83.140%0.443%0.425SS..Hα-helixtrans-77.4-29.1178.6-173.8-97.2000111.7E7 A8 V81 K85 E88E7-Y11 PolarHBondContact O-N 2.91Å; A8-Y11 WeakPolarHBondContact O-CB 3.31Å; A8-Y11 PolarHBondContact O-N 3.17Å; Y11-V81 HydrophobicContact CD1-CG1 3.82Å; Y11-V81 HydrophobicContact CD1-CG2 4.25Å; Y11-V81 HydrophobicContact CE1-CG1 4.39Å; Y11-V81 HydrophobicContact CG-CG1 4.25Å; Y11-K85 HydrophobicContact CE1-CG 4.46Å; Y11-E88 PolarHBondContact OH-OE2 3.13Å
12L83.6Confident83.4Confident13 Ų1379.4 Ų79.47%0.06842%0.417CS..SBendtrans-87.3137.4-178.4-61.3173.7000112.7A8 M16 F20 L77 V81 L84A8-L12 VanDerWaalsContact O-CG 3.28Å; A8-L12 WeakPolarHBondContact O-CG 3.48Å; A8-L12 PolarHBondContact O-N 3.21Å; L12-M16 HydrophobicContact CD2-CG 3.89Å; L12-M16 HydrophobicContact CD2-SD 3.28Å; L12-M16 WeakPolarHBondContact CD2-SD 3.16Å; L12-F20 HydrophobicContact CD1-CD2 3.94Å; L12-F20 HydrophobicContact CD1-CE2 4.23Å; L12-F20 HydrophobicContact CD2-CD2 4.03Å; L12-F20 HydrophobicContact CD2-CE2 3.55Å; L12-L77 HydrophobicContact CD1-CB 4.29Å; L12-L77 HydrophobicContact CD1-CD1 4.46Å; L12-L77 HydrophobicContact CD1-CD2 3.69Å; L12-L77 HydrophobicContact CD1-CG 4.35Å; L12-V81 HydrophobicContact CD1-CG2 3.66Å; L12-V81 HydrophobicContact CD2-CG2 3.64Å; L12-V81 HydrophobicContact CG-CG2 3.56Å; L12-L84 HydrophobicContact CD2-CD1 4.15Å
13S86.8Confident83.9Confident65 Ų6578.7 Ų78.746%0.45542%0.415SS..  trans-74.4159.9170.572.50000111.3E15 M16 L17S13-E15 PolarHBondContact O-N 3.38Å; S13-M16 PolarHBondContact O-N 3.23Å; S13-M16 WeakPolarHBondContact OG-CB 3.32Å; S13-M16 PolarHBondContact OG-N 3.32Å; S13-L17 VanDerWaalsContact O-CB 3.3Å; S13-L17 WeakPolarHBondContact O-CB 3.45Å; S13-L17 PolarHBondContact O-N 3.33Å
14E85.7Confident84.2Confident185 Ų18572.1 Ų72.186%0.86438%0.38SS*.Hα-helixtrans-58.7-32.9176.7-70.6-170.2141.100112.7A18E14-A18 WeakPolarHBondContact O-CB 3.36Å; E14-A18 PolarHBondContact O-N 3.35Å; E14-A18 VanDerWaalsContact O-N 3.1Å
15E86.1Confident84.7Confident160 Ų16074.2 Ų74.275%0.74839%0.386SS*.Hα-helixtrans-68.9-48.7176.4-68.2-173.8157.600111.4S13 L17 A18 E19S13-E15 PolarHBondContact O-N 3.38Å; E15-L17 VanDerWaalsContact C-N 3.3Å; E15-L17 PolarHBondContact O-N 2.93Å; E15-A18 WeakPolarHBondContact O-CB 3.43Å; E15-A18 PolarHBondContact O-N 3.05Å; E15-A18 VanDerWaalsContact O-N 3.1Å; E15-E19 PolarHBondContact O-N 3.32Å
16M81.1Confident85Confident64 Ų6479.1 Ų79.132%0.31541%0.412SS..Hα-helixtrans-65.2-36.4178.9-173.5176.8-81.900111.6L12 S13 A18 E19 F20 L84L12-M16 HydrophobicContact CD2-CG 3.89Å; L12-M16 HydrophobicContact CD2-SD 3.28Å; L12-M16 WeakPolarHBondContact CD2-SD 3.16Å; S13-M16 PolarHBondContact O-N 3.23Å; S13-M16 WeakPolarHBondContact OG-CB 3.32Å; S13-M16 PolarHBondContact OG-N 3.32Å; M16-A18 VanDerWaalsContact C-N 3.29Å; M16-A18 PolarHBondContact O-N 3.36Å; M16-E19 PolarHBondContact O-N 3.01Å; M16-F20 HydrophobicContact CG-CD2 3.77Å; M16-F20 HydrophobicContact CG-CE2 3.39Å; M16-F20 HydrophobicContact CG-CZ 4.14Å; M16-F20 VanDerWaalsContact O-CD2 3.29Å; M16-F20 WeakPolarHBondContact O-CD2 3.44Å; M16-F20 PolarHBondContact O-N 2.99Å; M16-F20 HydrophobicContact SD-CE2 3.8Å; M16-F20 HydrophobicContact SD-CZ 4.42Å; M16-L84 HydrophobicContact CE-CD1 4.44Å; M16-L84 HydrophobicContact SD-CD1 3.78Å
17L86.4Confident85.1Confident35 Ų3574.2 Ų74.218%0.18339%0.389CS..Hα-helixtrans-65.2-34.9174.7-157.6146.5000111.4R9 S13 E15 K21 F73 L77R9-L17 HydrophobicContact CG-CD1 3.81Å; S13-L17 VanDerWaalsContact O-CB 3.3Å; S13-L17 WeakPolarHBondContact O-CB 3.45Å; S13-L17 PolarHBondContact O-N 3.33Å; E15-L17 VanDerWaalsContact C-N 3.3Å; E15-L17 PolarHBondContact O-N 2.93Å; L17-K21 VanDerWaalsContact O-CB 3.25Å; L17-K21 WeakPolarHBondContact O-CB 3.16Å; L17-K21 PolarHBondContact O-N 2.93Å; L17-F73 HydrophobicContact CD2-CE1 4.12Å; L17-F73 HydrophobicContact CD2-CZ 4.13Å; L17-L77 HydrophobicContact CD1-CD1 4.23Å; L17-L77 HydrophobicContact CG-CD1 4.32Å
18A86.8Confident85.4Confident58 Ų5870 Ų7048%0.47937%0.369SS..Hα-helixtrans-69.7-37.6172.600000112.4E14 E15 M16 K21 A22E14-A18 WeakPolarHBondContact O-CB 3.36Å; E14-A18 PolarHBondContact O-N 3.35Å; E14-A18 VanDerWaalsContact O-N 3.1Å; E15-A18 WeakPolarHBondContact O-CB 3.43Å; E15-A18 PolarHBondContact O-N 3.05Å; E15-A18 VanDerWaalsContact O-N 3.1Å; M16-A18 VanDerWaalsContact C-N 3.29Å; M16-A18 PolarHBondContact O-N 3.36Å; A18-K21 PolarHBondContact O-N 3.49Å; A18-A22 PolarHBondContact O-N 2.73Å
19E85.4Confident85.4Confident138 Ų13874.6 Ų74.665%0.64540%0.397SS*.Hα-helixtrans-64.8-46.1173.1-69.7-172.1146.800111.6E15 M16 K21 A22 A23E15-E19 PolarHBondContact O-N 3.32Å; M16-E19 PolarHBondContact O-N 3.01Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3Å; E19-A22 WeakPolarHBondContact O-CB 3.4Å; E19-A22 PolarHBondContact O-N 2.96Å; E19-A22 VanDerWaalsContact O-N 3.13Å; E19-A23 PolarHBondContact O-N 2.74Å
20F85.9Confident85.5Confident29 Ų2975.2 Ų75.213%0.12741%0.409CS..Hα-helixtrans-64.2-34.3174.9-73.8-43.9000112.5L12 M16 A23 F24 F76 L77 M80 L84L12-F20 HydrophobicContact CD1-CD2 3.94Å; L12-F20 HydrophobicContact CD1-CE2 4.23Å; L12-F20 HydrophobicContact CD2-CD2 4.03Å; L12-F20 HydrophobicContact CD2-CE2 3.55Å; M16-F20 HydrophobicContact CG-CD2 3.77Å; M16-F20 HydrophobicContact CG-CE2 3.39Å; M16-F20 HydrophobicContact CG-CZ 4.14Å; M16-F20 VanDerWaalsContact O-CD2 3.29Å; M16-F20 WeakPolarHBondContact O-CD2 3.44Å; M16-F20 PolarHBondContact O-N 2.99Å; M16-F20 HydrophobicContact SD-CE2 3.8Å; M16-F20 HydrophobicContact SD-CZ 4.42Å; F20-A23 PolarHBondContact O-N 3.38Å; F20-F24 VanDerWaalsContact O-CB 3.28Å; F20-F24 WeakPolarHBondContact O-CB 3.47Å; F20-F24 PolarHBondContact O-N 3.19Å; F20-F76 HydrophobicContact CB-CE1 4.2Å; F20-F76 HydrophobicContact CD1-CE1 4.31Å; F20-L77 HydrophobicContact CB-CD2 3.79Å; F20-L77 HydrophobicContact CD2-CD2 4.19Å; F20-L77 HydrophobicContact CG-CD2 4.3Å; F20-M80 HydrophobicContact CD1-CB 4.12Å; F20-M80 HydrophobicContact CD1-CG 3.77Å; F20-M80 HydrophobicContact CD1-SD 3.99Å; F20-M80 HydrophobicContact CD2-CB 4.47Å; F20-M80 HydrophobicContact CE1-CB 3.83Å; F20-M80 HydrophobicContact CE1-CG 3.76Å; F20-M80 HydrophobicContact CE1-SD 3.64Å; F20-M80 HydrophobicContact CE2-CB 4.15Å; F20-M80 HydrophobicContact CG-CB 4.46Å; F20-M80 HydrophobicContact CG-CG 4.37Å; F20-M80 HydrophobicContact CZ-CB 3.84Å; F20-M80 HydrophobicContact CZ-CG 4.31Å; F20-M80 HydrophobicContact CZ-SD 4.45Å; F20-L84 HydrophobicContact CE2-CD1 3.83Å; F20-L84 HydrophobicContact CZ-CD1 3.63Å; F20-L84 HydrophobicContact CZ-CG 4.24Å
21K87.8Confident85.5Confident80 Ų8073.5 Ų73.535%0.34841%0.406SS..Hα-helixtrans-64.9-41.5172-175.360.5175.265.20112.1L17 A18 E19 A23 F24 D25 F73L17-K21 VanDerWaalsContact O-CB 3.25Å; L17-K21 WeakPolarHBondContact O-CB 3.16Å; L17-K21 PolarHBondContact O-N 2.93Å; A18-K21 PolarHBondContact O-N 3.49Å; E19-K21 VanDerWaalsContact C-N 3.28Å; E19-K21 PolarHBondContact O-N 3Å; K21-A23 VanDerWaalsContact C-N 3.34Å; K21-F24 PolarHBondContact O-N 2.89Å; K21-D25 IonicContact NZ-OD1 3.83Å; K21-D25 PolarHBondContact NZ-OD1 2.96Å; K21-D25 IonicContact NZ-OD2 3.42Å; K21-D25 PolarHBondContact NZ-OD2 2.77Å; K21-D25 WeakPolarHBondContact O-CB 3.47Å; K21-D25 PolarHBondContact O-N 2.92Å; K21-F73 HydrophobicContact CB-CE2 3.94Å; K21-F73 HydrophobicContact CB-CZ 3.84Å; K21-F73 HydrophobicContact CD-CD2 3.92Å; K21-F73 HydrophobicContact CD-CE1 4.26Å; K21-F73 HydrophobicContact CD-CE2 3.6Å; K21-F73 HydrophobicContact CD-CG 4.39Å; K21-F73 HydrophobicContact CD-CZ 3.78Å; K21-F73 HydrophobicContact CG-CE2 4.39Å; K21-F73 HydrophobicContact CG-CZ 4.36Å
22A87.6Confident85.6Confident61 Ų6171 Ų7150%0.50441%0.411SS..Hα-helixtrans-67.4-36.3175.700000112.2A18 E19 L26A18-A22 PolarHBondContact O-N 2.73Å; E19-A22 WeakPolarHBondContact O-CB 3.4Å; E19-A22 PolarHBondContact O-N 2.96Å; E19-A22 VanDerWaalsContact O-N 3.13Å; A22-L26 PolarHBondContact O-N 2.99Å
23A86.1Confident85.7Confident32 Ų3272.3 Ų72.326%0.26443%0.428SS..Hα-helixtrans-65-48.8172.100000110.5E19 F20 K21 D25 L26 F27 F76E19-A23 PolarHBondContact O-N 2.74Å; F20-A23 PolarHBondContact O-N 3.38Å; K21-A23 VanDerWaalsContact C-N 3.34Å; A23-D25 VanDerWaalsContact C-N 3.29Å; A23-D25 PolarHBondContact O-N 2.79Å; A23-L26 WeakPolarHBondContact O-CA 3.49Å; A23-L26 WeakPolarHBondContact O-CB 3.43Å; A23-L26 PolarHBondContact O-N 3.47Å; A23-F27 HydrophobicContact CB-CE2 4.41Å; A23-F27 WeakPolarHBondContact O-CD2 3.41Å; A23-F27 PolarHBondContact O-N 3.37Å; A23-F27 VanDerWaalsContact O-N 3.12Å; A23-F76 HydrophobicContact CB-CZ 4.42Å
24F87.6Confident85.8Confident4 Ų472 Ų722%0.01842%0.421CS..Hα-helixtrans-54.4-45.6175.8-175.5-86.8000111.5F20 K21 L26 F27 D28 G33 I35 F73 F76F20-F24 VanDerWaalsContact O-CB 3.28Å; F20-F24 WeakPolarHBondContact O-CB 3.47Å; F20-F24 PolarHBondContact O-N 3.19Å; K21-F24 PolarHBondContact O-N 2.89Å; F24-L26 PolarHBondContact O-N 2.82Å; F24-F27 CarbonylContact O-C 3.57Å; F24-F27 WeakPolarHBondContact O-CA 3.14Å; F24-F27 WeakPolarHBondContact O-CB 3.4Å; F24-F27 PolarHBondContact O-N 2.95Å; F24-D28 HydrophobicContact CD1-CB 4.26Å; F24-D28 HydrophobicContact CE1-CB 3.97Å; F24-D28 PolarHBondContact O-N 3.17Å; F24-G33 WeakPolarHBondContact CZ-O 3.48Å; F24-I35 HydrophobicContact CD2-CD1 3.38Å; F24-I35 HydrophobicContact CD2-CG1 3.98Å; F24-I35 HydrophobicContact CE2-CD1 3.41Å; F24-I35 VanDerWaalsContact CE2-CD1 3.41Å; F24-I35 HydrophobicContact CE2-CG1 3.57Å; F24-I35 HydrophobicContact CG-CD1 4.21Å; F24-I35 HydrophobicContact CZ-CD1 4.24Å; F24-I35 HydrophobicContact CZ-CG1 3.92Å; F24-F73 HydrophobicContact CB-CD2 3.85Å; F24-F73 HydrophobicContact CB-CE2 4.05Å; F24-F73 HydrophobicContact CD1-CD2 4.12Å; F24-F73 HydrophobicContact CD2-CB 4.42Å; F24-F73 AromaticContact CD2-CD2 3.8Å; F24-F73 HydrophobicContact CD2-CD2 3.8Å; F24-F73 HydrophobicContact CE1-CB 4.43Å; F24-F73 HydrophobicContact CE2-CB 4.17Å; F24-F73 HydrophobicContact CE2-CD2 4.38Å; F24-F73 AromaticContact CG-CD2 3.65Å; F24-F73 HydrophobicContact CG-CD2 3.65Å; F24-F73 HydrophobicContact CG-CE2 4.36Å; F24-F73 HydrophobicContact CZ-CB 4.17Å; F24-F76 HydrophobicContact CB-CD1 4.2Å; F24-F76 HydrophobicContact CB-CE1 4.18Å; F24-F76 HydrophobicContact CD2-CB 3.72Å; F24-F76 AromaticContact CD2-CD1 3.93Å; F24-F76 HydrophobicContact CD2-CD1 3.93Å; F24-F76 HydrophobicContact CD2-CD2 4.11Å; F24-F76 AromaticContact CD2-CG 3.66Å; F24-F76 HydrophobicContact CD2-CG 3.66Å; F24-F76 HydrophobicContact CE2-CB 3.98Å; F24-F76 HydrophobicContact CE2-CG 4.37Å
25D87.9Confident86Confident82 Ų8263.2 Ų63.244%0.43938%0.38SS..Hα-helixtrans-65.3-17.5176.4-67.5-19.6000113.3K21 A23K21-D25 IonicContact NZ-OD1 3.83Å; K21-D25 PolarHBondContact NZ-OD1 2.96Å; K21-D25 IonicContact NZ-OD2 3.42Å; K21-D25 PolarHBondContact NZ-OD2 2.77Å; K21-D25 WeakPolarHBondContact O-CB 3.47Å; K21-D25 PolarHBondContact O-N 2.92Å; A23-D25 VanDerWaalsContact C-N 3.29Å; A23-D25 PolarHBondContact O-N 2.79Å
26L85.2Confident86.1Confident117 Ų11757 Ų5761%0.61336%0.355SS*.Hα-helixtrans-81.8-30.9171-170.269.4000111.7A22 A23 F24A22-L26 PolarHBondContact O-N 2.99Å; A23-L26 WeakPolarHBondContact O-CA 3.49Å; A23-L26 WeakPolarHBondContact O-CB 3.43Å; A23-L26 PolarHBondContact O-N 3.47Å; F24-L26 PolarHBondContact O-N 2.82Å
27F84.6Confident86.4Confident23 Ų2355.5 Ų55.510%0.10135%0.349CS..Hα-helixtrans-77-46.4173.4-68.2-86.9000111.8A23 F24 T29 I35 E39 L40 V43 F76A23-F27 HydrophobicContact CB-CE2 4.41Å; A23-F27 WeakPolarHBondContact O-CD2 3.41Å; A23-F27 PolarHBondContact O-N 3.37Å; A23-F27 VanDerWaalsContact O-N 3.12Å; F24-F27 CarbonylContact O-C 3.57Å; F24-F27 WeakPolarHBondContact O-CA 3.14Å; F24-F27 WeakPolarHBondContact O-CB 3.4Å; F24-F27 PolarHBondContact O-N 2.95Å; F27-T29 VanDerWaalsContact C-N 3.35Å; F27-T29 PolarHBondContact O-N 3.12Å; F27-I35 HydrophobicContact CB-CD1 3.42Å; F27-I35 VanDerWaalsContact CB-CD1 3.42Å; F27-I35 HydrophobicContact CB-CG1 3.71Å; F27-I35 HydrophobicContact CB-CG2 4.12Å; F27-I35 HydrophobicContact CD2-CD1 4.39Å; F27-I35 HydrophobicContact CG-CD1 4.01Å; F27-E39 WeakPolarHBondContact O-CB 3.49Å; F27-L40 HydrophobicContact CD1-CD1 4.29Å; F27-L40 HydrophobicContact CE1-CD1 4.17Å; F27-V43 HydrophobicContact CB-CG2 4.34Å; F27-V43 HydrophobicContact CD1-CB 3.34Å; F27-V43 HydrophobicContact CD1-CG1 3.53Å; F27-V43 HydrophobicContact CD1-CG2 3.53Å; F27-V43 HydrophobicContact CE1-CB 3.38Å; F27-V43 HydrophobicContact CE1-CG1 3.15Å; F27-V43 HydrophobicContact CE1-CG2 4.08Å; F27-V43 HydrophobicContact CE2-CG1 4.35Å; F27-V43 HydrophobicContact CG-CB 4.28Å; F27-V43 HydrophobicContact CG-CG1 4.28Å; F27-V43 HydrophobicContact CG-CG2 4.05Å; F27-V43 HydrophobicContact CZ-CB 4.31Å; F27-V43 HydrophobicContact CZ-CG1 3.59Å; F27-F76 AromaticContact CD2-CE2 3.98Å; F27-F76 HydrophobicContact CD2-CE2 3.98Å; F27-F76 HydrophobicContact CD2-CZ 4.15Å; F27-F76 AromaticContact CE2-CE2 3.98Å; F27-F76 HydrophobicContact CE2-CE2 3.98Å; F27-F76 HydrophobicContact CE2-CZ 4.01Å
28D88.4Confident86.4Confident15 Ų1561.7 Ų61.78%0.0838%0.375CS..  trans-73.784.8176178.512.3000110.2F24 G31 G32 G33F24-D28 HydrophobicContact CD1-CB 4.26Å; F24-D28 HydrophobicContact CE1-CB 3.97Å; F24-D28 PolarHBondContact O-N 3.17Å; D28-G31 WeakPolarHBondContact OD1-CA 3.44Å; D28-G31 PolarHBondContact OD1-N 2.87Å; D28-G31 WeakPolarHBondContact OD2-CA 3.44Å; D28-G32 PolarHBondContact OD1-N 3.24Å; D28-G32 PolarHBondContact OD2-N 2.88Å; D28-G33 WeakPolarHBondContact OD2-CA 3.2Å; D28-G33 PolarHBondContact OD2-N 3.24Å
29T82.2Confident86.5Confident100 Ų10059.4 Ų59.461%0.61335%0.354SS*.SBendtrans-80.7-24.6-175.159.10000112.7F27 E39F27-T29 VanDerWaalsContact C-N 3.35Å; F27-T29 PolarHBondContact O-N 3.12Å; T29-E39 PolarHBondContact N-OE1 3.28Å; T29-E39 PolarHBondContact OG1-OE1 2.71Å
30D84.8Confident86.6Confident120 Ų12053 Ų5364%0.64232%0.324SS*.SBendtrans-92.8-10.3179.576.413.9000113.7G32 E39D30-G32 VanDerWaalsContact C-N 3.33Å; D30-G32 WeakPolarHBondContact OD1-CA 3.33Å; D30-G32 PolarHBondContact OD1-N 3.4Å; D30-E39 PolarHBondContact N-OE1 2.93Å
31G83.9Confident86.6Confident61 Ų6151.9 Ų51.963%0.62932%0.321SS*.  trans74.523.9178.300000112.8D28 G33D28-G31 WeakPolarHBondContact OD1-CA 3.44Å; D28-G31 PolarHBondContact OD1-N 2.87Å; D28-G31 WeakPolarHBondContact OD2-CA 3.44Å; G31-G33 PolarHBondContact O-N 3.48Å
32G83.4Confident86.5Confident48 Ų4851.1 Ų51.150%0.49532%0.323SS..SBendtrans-68.4-22.8179.700000113.2D28 D30 D34D28-G32 PolarHBondContact OD1-N 3.24Å; D28-G32 PolarHBondContact OD2-N 2.88Å; D30-G32 VanDerWaalsContact C-N 3.33Å; D30-G32 WeakPolarHBondContact OD1-CA 3.33Å; D30-G32 PolarHBondContact OD1-N 3.4Å; G32-D34 VanDerWaalsContact C-N 3.33Å
33G85.9Confident86.2Confident41 Ų4148.6 Ų48.642%0.42330%0.301SS..SBendtrans83.610.7-17200000113.5F24 D28 G31F24-G33 WeakPolarHBondContact CZ-O 3.48Å; D28-G33 WeakPolarHBondContact OD2-CA 3.2Å; D28-G33 PolarHBondContact OD2-N 3.24Å; G31-G33 PolarHBondContact O-N 3.48Å
34D89.3Confident85.9Confident59 Ų5948.8 Ų48.832%0.31630%0.297SS..EExtended strand (participates in β ladder)trans-141.7146.8176.665.5-84000110.1G32 S70 I71G32-D34 VanDerWaalsContact C-N 3.33Å; D34-S70 WeakPolarHBondContact OD2-CB 3.16Å; D34-S70 PolarHBondContact OD2-OG 3.31Å; D34-I71 CarbonylContact C-O 3.56Å; D34-I71 WeakPolarHBondContact CA-O 3.33Å
35I89.3Confident85.7Confident0 Ų055.9 Ų55.90%032%0.324CS..EExtended strand (participates in β ladder)trans-99.7113.8179-59.3165.6000108.4F24 F27 E39 L40 S70 I71 F76F24-I35 HydrophobicContact CD2-CD1 3.38Å; F24-I35 HydrophobicContact CD2-CG1 3.98Å; F24-I35 HydrophobicContact CE2-CD1 3.41Å; F24-I35 VanDerWaalsContact CE2-CD1 3.41Å; F24-I35 HydrophobicContact CE2-CG1 3.57Å; F24-I35 HydrophobicContact CG-CD1 4.21Å; F24-I35 HydrophobicContact CZ-CD1 4.24Å; F24-I35 HydrophobicContact CZ-CG1 3.92Å; F27-I35 HydrophobicContact CB-CD1 3.42Å; F27-I35 VanDerWaalsContact CB-CD1 3.42Å; F27-I35 HydrophobicContact CB-CG1 3.71Å; F27-I35 HydrophobicContact CB-CG2 4.12Å; F27-I35 HydrophobicContact CD2-CD1 4.39Å; F27-I35 HydrophobicContact CG-CD1 4.01Å; I35-E39 HydrophobicContact CG2-CB 3.97Å; I35-L40 HydrophobicContact CG2-CB 3.99Å; I35-S70 WeakPolarHBondContact O-CA 3.19Å; I35-S70 WeakPolarHBondContact O-CB 3.38Å; I35-I71 HydrophobicContact CB-CB 4.3Å; I35-I71 PolarHBondContact N-O 2.82Å; I35-I71 PolarHBondContact O-N 3.43Å; I35-F76 HydrophobicContact CD1-CD2 3.73Å; I35-F76 HydrophobicContact CD1-CE2 4.11Å; I35-F76 HydrophobicContact CD1-CG 4.42Å
36S88.8Confident85.1Confident31 Ų3159.2 Ų59.222%0.21734%0.338CS..EExtended strand (participates in β ladder)trans-77.9159173.566.90000112.6K38 E39 L40S36-K38 PolarHBondContact O-N 3.36Å; S36-E39 WeakPolarHBondContact CB-OE2 3.35Å; S36-E39 PolarHBondContact N-OE2 2.89Å; S36-E39 WeakPolarHBondContact O-CB 3.36Å; S36-E39 PolarHBondContact O-N 2.9Å; S36-E39 WeakPolarHBondContact OG-CG 3.48Å; S36-E39 PolarHBondContact OG-N 3.33Å; S36-E39 PolarHBondContact OG-OE2 2.98Å; S36-L40 PolarHBondContact O-N 2.87Å
37T87.2Confident84.4Confident32 Ų3259.7 Ų59.720%0.19634%0.341CS..Hα-helixtrans-44.3-37.1169.947.90000113.5G41 D57 I60T37-G41 PolarHBondContact O-N 3.17Å; T37-G41 VanDerWaalsContact O-N 3.12Å; T37-D57 WeakPolarHBondContact CG2-OD1 3.49Å; T37-I60 HydrophobicContact CG2-CD1 3.26Å; T37-I60 HydrophobicContact CG2-CG1 4.47Å
38K86.6Confident84Confident165 Ų16561.7 Ų61.772%0.71737%0.368SS*.Hα-helixtrans-72.4-38.7-179.4-67177-174.9164.30112.6S36 T42S36-K38 PolarHBondContact O-N 3.36Å; K38-T42 WeakPolarHBondContact O-CB 3.39Å; K38-T42 PolarHBondContact O-N 2.76Å; K38-T42 PolarHBondContact O-OG1 3.4Å
39E89.3Confident83.4Confident9 Ų966.7 Ų66.74%0.04239%0.391CS..Hα-helixtrans-72.2-46.4-179.3-79.2169.613300110.9F27 T29 D30 I35 S36 G41 T42 V43F27-E39 WeakPolarHBondContact O-CB 3.49Å; T29-E39 PolarHBondContact N-OE1 3.28Å; T29-E39 PolarHBondContact OG1-OE1 2.71Å; D30-E39 PolarHBondContact N-OE1 2.93Å; I35-E39 HydrophobicContact CG2-CB 3.97Å; S36-E39 WeakPolarHBondContact CB-OE2 3.35Å; S36-E39 PolarHBondContact N-OE2 2.89Å; S36-E39 WeakPolarHBondContact O-CB 3.36Å; S36-E39 PolarHBondContact O-N 2.9Å; S36-E39 WeakPolarHBondContact OG-CG 3.48Å; S36-E39 PolarHBondContact OG-N 3.33Å; S36-E39 PolarHBondContact OG-OE2 2.98Å; E39-G41 VanDerWaalsContact C-N 3.31Å; E39-G41 PolarHBondContact O-N 2.81Å; E39-T42 WeakPolarHBondContact O-CB 3.42Å; E39-T42 PolarHBondContact O-N 2.92Å; E39-V43 PolarHBondContact O-N 3.01Å
40L85.6Confident83.3Confident4 Ų468.1 Ų68.12%0.02140%0.395CS..Hα-helixtrans-53.8-49.8172-174.562.7000111.1F27 I35 S36 T42 V43 M44 L56 I59 I60 I71F27-L40 HydrophobicContact CD1-CD1 4.29Å; F27-L40 HydrophobicContact CE1-CD1 4.17Å; I35-L40 HydrophobicContact CG2-CB 3.99Å; S36-L40 PolarHBondContact O-N 2.87Å; L40-T42 VanDerWaalsContact C-N 3.3Å; L40-T42 PolarHBondContact O-N 3.33Å; L40-V43 PolarHBondContact O-N 2.87Å; L40-M44 HydrophobicContact CD1-CE 4.24Å; L40-M44 HydrophobicContact CG-SD 4.36Å; L40-M44 WeakPolarHBondContact O-CB 3.44Å; L40-M44 WeakPolarHBondContact O-CG 3.35Å; L40-M44 PolarHBondContact O-N 2.78Å; L40-L56 HydrophobicContact CB-CD2 4.22Å; L40-L56 HydrophobicContact CD2-CD2 3.82Å; L40-L56 HydrophobicContact CG-CD2 3.74Å; L40-I59 HydrophobicContact CD2-CB 4.38Å; L40-I59 HydrophobicContact CD2-CG2 3.9Å; L40-I60 HydrophobicContact CD2-CD1 4.22Å; L40-I60 HydrophobicContact CD2-CG1 4.16Å; L40-I71 HydrophobicContact CD2-CD1 4.37Å
41G86.1Confident83.2Confident6 Ų663 Ų636%0.06237%0.368CS..Hα-helixtrans-63.9-32.2177.600000114.1T37 E39 R45 L56T37-G41 PolarHBondContact O-N 3.17Å; T37-G41 VanDerWaalsContact O-N 3.12Å; E39-G41 VanDerWaalsContact C-N 3.31Å; E39-G41 PolarHBondContact O-N 2.81Å; G41-R45 WeakPolarHBondContact O-CB 3Å; G41-R45 WeakPolarHBondContact O-CG 3.33Å; G41-R45 PolarHBondContact O-N 2.61Å; G41-L56 VanDerWaalsContact CA-CD1 3.49Å
42T86.1Confident83.3Confident64 Ų6463.2 Ų63.239%0.39336%0.357SS..Hα-helixtrans-68.8-45.9177.2-63.20000110.6K38 E39 L40 R45 M46K38-T42 WeakPolarHBondContact O-CB 3.39Å; K38-T42 PolarHBondContact O-N 2.76Å; K38-T42 PolarHBondContact O-OG1 3.4Å; E39-T42 WeakPolarHBondContact O-CB 3.42Å; E39-T42 PolarHBondContact O-N 2.92Å; L40-T42 VanDerWaalsContact C-N 3.3Å; L40-T42 PolarHBondContact O-N 3.33Å; T42-R45 PolarHBondContact O-N 3.13Å; T42-M46 HydrophobicContact CG2-CE 3.84Å; T42-M46 WeakPolarHBondContact O-CG 3.44Å; T42-M46 PolarHBondContact O-N 2.93Å
43V82.3Confident83.4Confident7 Ų769.9 Ų69.94%0.04237%0.368CS..Hα-helixtrans-71.3-41.8-179.8178.50000112F27 E39 L40 R45 M46 L47F27-V43 HydrophobicContact CB-CG2 4.34Å; F27-V43 HydrophobicContact CD1-CB 3.34Å; F27-V43 HydrophobicContact CD1-CG1 3.53Å; F27-V43 HydrophobicContact CD1-CG2 3.53Å; F27-V43 HydrophobicContact CE1-CB 3.38Å; F27-V43 HydrophobicContact CE1-CG1 3.15Å; F27-V43 HydrophobicContact CE1-CG2 4.08Å; F27-V43 HydrophobicContact CE2-CG1 4.35Å; F27-V43 HydrophobicContact CG-CB 4.28Å; F27-V43 HydrophobicContact CG-CG1 4.28Å; F27-V43 HydrophobicContact CG-CG2 4.05Å; F27-V43 HydrophobicContact CZ-CB 4.31Å; F27-V43 HydrophobicContact CZ-CG1 3.59Å; E39-V43 PolarHBondContact O-N 3.01Å; L40-V43 PolarHBondContact O-N 2.87Å; V43-R45 PolarHBondContact O-N 2.94Å; V43-M46 CarbonylContact O-C 3.56Å; V43-M46 WeakPolarHBondContact O-CA 3.43Å; V43-M46 WeakPolarHBondContact O-CB 3.38Å; V43-M46 PolarHBondContact O-N 2.79Å; V43-L47 HydrophobicContact CG1-CD1 4.08Å; V43-L47 HydrophobicContact CG1-CG 4.26Å; V43-L47 WeakPolarHBondContact O-CG 3.18Å; V43-L47 PolarHBondContact O-N 2.98Å
44M79.9Confident83.4Confident36 Ų3675 Ų7518%0.17738%0.38CS..Hα-helixtrans-56.7-37.1174.8-75.2-169.9158.200111.8L40 L47 G48 Q49 P51 L56 I59L40-M44 HydrophobicContact CD1-CE 4.24Å; L40-M44 HydrophobicContact CG-SD 4.36Å; L40-M44 WeakPolarHBondContact O-CB 3.44Å; L40-M44 WeakPolarHBondContact O-CG 3.35Å; L40-M44 PolarHBondContact O-N 2.78Å; M44-L47 PolarHBondContact O-N 3.38Å; M44-G48 PolarHBondContact O-N 2.84Å; M44-Q49 CarbonylContact C-O 3.5Å; M44-Q49 HydrophobicContact CB-CB 4.46Å; M44-Q49 WeakPolarHBondContact O-CA 3.02Å; M44-Q49 WeakPolarHBondContact O-CB 3.3Å; M44-Q49 PolarHBondContact O-N 3.25Å; M44-Q49 VanDerWaalsContact O-O 3.13Å; M44-P51 HydrophobicContact CB-CG 3.67Å; M44-P51 HydrophobicContact CG-CG 4.31Å; M44-P51 HydrophobicContact SD-CB 4.14Å; M44-P51 HydrophobicContact SD-CG 3.7Å; M44-L56 HydrophobicContact SD-CD2 3.8Å; M44-I59 HydrophobicContact CE-CD1 3.94Å; M44-I59 HydrophobicContact SD-CD1 4.42Å
45R81.9Confident83.2Confident154 Ų15476.4 Ų76.458%0.58139%0.385SS*.Hα-helixtrans-66.7-37.1171.4-71.5177.4-173.4-1570.8114.3G41 T42 V43 L47 G48 Q49G41-R45 WeakPolarHBondContact O-CB 3Å; G41-R45 WeakPolarHBondContact O-CG 3.33Å; G41-R45 PolarHBondContact O-N 2.61Å; T42-R45 PolarHBondContact O-N 3.13Å; V43-R45 PolarHBondContact O-N 2.94Å; R45-L47 VanDerWaalsContact C-N 3.29Å; R45-G48 PolarHBondContact O-N 3.19Å; R45-Q49 WeakPolarHBondContact CA-O 3.47Å; R45-Q49 PolarHBondContact N-O 2.81Å
46M76.9Confident83Confident152 Ų15277 Ų7775%0.74939%0.388SS*.Hα-helixtrans-67.6-31.2174.1-69.9-175.8-179.600112.4T42 V43 G48T42-M46 HydrophobicContact CG2-CE 3.84Å; T42-M46 WeakPolarHBondContact O-CG 3.44Å; T42-M46 PolarHBondContact O-N 2.93Å; V43-M46 CarbonylContact O-C 3.56Å; V43-M46 WeakPolarHBondContact O-CA 3.43Å; V43-M46 WeakPolarHBondContact O-CB 3.38Å; V43-M46 PolarHBondContact O-N 2.79Å; M46-G48 PolarHBondContact O-N 3.3Å
47L70.8Confident82.8Confident126 Ų12678.1 Ų78.166%0.6639%0.392SS*.THydrogen-bonded Turntrans-78.50.3173.9-64174.6000113.3V43 M44 R45V43-L47 HydrophobicContact CG1-CD1 4.08Å; V43-L47 HydrophobicContact CG1-CG 4.26Å; V43-L47 WeakPolarHBondContact O-CG 3.18Å; V43-L47 PolarHBondContact O-N 2.98Å; M44-L47 PolarHBondContact O-N 3.38Å; R45-L47 VanDerWaalsContact C-N 3.29Å
48G75.9Confident82.7Confident65 Ų6582.4 Ų82.467%0.6741%0.409SS*.THydrogen-bonded Turntrans88.93.4176.800000114.8M44 R45 M46M44-G48 PolarHBondContact O-N 2.84Å; R45-G48 PolarHBondContact O-N 3.19Å; M46-G48 PolarHBondContact O-N 3.3Å
49Q75.6Confident82.6Confident120 Ų12076.7 Ų76.756%0.56139%0.386SS*.  trans-86.8154.3171.1-61.9-166.4-15.300110.9M44 R45 P51M44-Q49 CarbonylContact C-O 3.5Å; M44-Q49 HydrophobicContact CB-CB 4.46Å; M44-Q49 WeakPolarHBondContact O-CA 3.02Å; M44-Q49 WeakPolarHBondContact O-CB 3.3Å; M44-Q49 PolarHBondContact O-N 3.25Å; M44-Q49 VanDerWaalsContact O-O 3.13Å; R45-Q49 WeakPolarHBondContact CA-O 3.47Å; R45-Q49 PolarHBondContact N-O 2.81Å; Q49-P51 VanDerWaalsContact C-CD 3.47Å
50N80.1Confident82.4Confident130 Ų13076.5 Ų76.570%0.69539%0.386SS*.  trans-127.869.3176.2-94.9-45.6000110.1
51P81.8Confident82.4Confident13 Ų1383.8 Ų83.88%0.08442%0.42CS..  trans-65.2143.5176.331.9-38.7000110.4M44 Q49 E55 L56M44-P51 HydrophobicContact CB-CG 3.67Å; M44-P51 HydrophobicContact CG-CG 4.31Å; M44-P51 HydrophobicContact SD-CB 4.14Å; M44-P51 HydrophobicContact SD-CG 3.7Å; Q49-P51 VanDerWaalsContact C-CD 3.47Å; P51-E55 WeakPolarHBondContact CA-OE2 3.43Å; P51-E55 HydrophobicContact CB-CB 4.48Å; P51-L56 HydrophobicContact CB-CD2 4.06Å; P51-L56 HydrophobicContact CB-CG 4.05Å; P51-L56 HydrophobicContact CG-CD1 4.29Å; P51-L56 HydrophobicContact CG-CD2 3.83Å; P51-L56 HydrophobicContact CG-CG 4.1Å
52T87.3Confident82.3Confident66 Ų6690.4 Ų90.441%0.40545%0.449SS..  trans-73.8165168.163.80000110E54 E55 L56T52-E54 VanDerWaalsContact C-N 3.26Å; T52-E54 PolarHBondContact O-N 2.93Å; T52-E55 WeakPolarHBondContact CB-OE2 3.49Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.28Å; T52-E55 PolarHBondContact N-OE2 3.07Å; T52-E55 PolarHBondContact O-N 2.97Å; T52-E55 VanDerWaalsContact OG1-CD 3.3Å; T52-E55 VanDerWaalsContact OG1-CG 3.31Å; T52-E55 WeakPolarHBondContact OG1-CG 3.47Å; T52-E55 PolarHBondContact OG1-N 2.78Å; T52-E55 PolarHBondContact OG1-OE2 3.06Å; T52-L56 WeakPolarHBondContact O-CG 3.35Å; T52-L56 PolarHBondContact O-N 3.08Å; T52-L56 VanDerWaalsContact O-N 3.17Å
53R84.4Confident82Confident188 Ų18888 Ų8871%0.70943%0.434SS*.Hα-helixtrans-66.3-34.4177.5-172.1174.1178.2-163.1-2.7112L56 D57R53-L56 PolarHBondContact O-N 3.18Å; R53-D57 WeakPolarHBondContact O-CB 3.5Å; R53-D57 PolarHBondContact O-N 3.41Å
54E86.9Confident82.2Confident147 Ų14789 Ų8969%0.68744%0.44SS*.Hα-helixtrans-63.9-46.3178.3-69.415517700110.3T52 L56 D57 E58T52-E54 VanDerWaalsContact C-N 3.26Å; T52-E54 PolarHBondContact O-N 2.93Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 2.88Å; E54-D57 PolarHBondContact O-N 2.88Å; E54-E58 WeakPolarHBondContact O-CG 3.28Å; E54-E58 PolarHBondContact O-N 3.33Å
55E83.7Confident82.2Confident89 Ų8992.9 Ų92.942%0.41646%0.457SS..Hα-helixtrans-61.7-38.9174.8-70.4162139.500112.4P51 T52 E58 I59P51-E55 WeakPolarHBondContact CA-OE2 3.43Å; P51-E55 HydrophobicContact CB-CB 4.48Å; T52-E55 WeakPolarHBondContact CB-OE2 3.49Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.28Å; T52-E55 PolarHBondContact N-OE2 3.07Å; T52-E55 PolarHBondContact O-N 2.97Å; T52-E55 VanDerWaalsContact OG1-CD 3.3Å; T52-E55 VanDerWaalsContact OG1-CG 3.31Å; T52-E55 WeakPolarHBondContact OG1-CG 3.47Å; T52-E55 PolarHBondContact OG1-N 2.78Å; T52-E55 PolarHBondContact OG1-OE2 3.06Å; E55-E58 PolarHBondContact O-N 3.4Å; E55-I59 WeakPolarHBondContact O-CD1 3.39Å; E55-I59 WeakPolarHBondContact O-CG1 3.47Å; E55-I59 PolarHBondContact O-N 2.8Å
56L85.3Confident82.2Confident13 Ų1390.8 Ų90.87%0.06846%0.457CS..Hα-helixtrans-68.2-38.7176.9-68168.4000112.6L40 G41 M44 P51 T52 R53 E54 I60L40-L56 HydrophobicContact CB-CD2 4.22Å; L40-L56 HydrophobicContact CD2-CD2 3.82Å; L40-L56 HydrophobicContact CG-CD2 3.74Å; G41-L56 VanDerWaalsContact CA-CD1 3.49Å; M44-L56 HydrophobicContact SD-CD2 3.8Å; P51-L56 HydrophobicContact CB-CD2 4.06Å; P51-L56 HydrophobicContact CB-CG 4.05Å; P51-L56 HydrophobicContact CG-CD1 4.29Å; P51-L56 HydrophobicContact CG-CD2 3.83Å; P51-L56 HydrophobicContact CG-CG 4.1Å; T52-L56 WeakPolarHBondContact O-CG 3.35Å; T52-L56 PolarHBondContact O-N 3.08Å; T52-L56 VanDerWaalsContact O-N 3.17Å; R53-L56 PolarHBondContact O-N 3.18Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 2.88Å; L56-I60 WeakPolarHBondContact O-CG1 3.33Å; L56-I60 PolarHBondContact O-N 2.84Å
57D85.3Confident82.5Confident54 Ų5486.4 Ų86.429%0.28945%0.451SS..Hα-helixtrans-67.9-40.9177-69.4-18000109.6T37 R53 E54 I60 E61T37-D57 WeakPolarHBondContact CG2-OD1 3.49Å; R53-D57 WeakPolarHBondContact O-CB 3.5Å; R53-D57 PolarHBondContact O-N 3.41Å; E54-D57 PolarHBondContact O-N 2.88Å; D57-I60 PolarHBondContact O-N 3.3Å; D57-E61 WeakPolarHBondContact O-CB 3.04Å; D57-E61 WeakPolarHBondContact O-CG 3.22Å; D57-E61 PolarHBondContact O-N 2.77Å
58E86Confident83.1Confident122 Ų12283.4 Ų83.457%0.5744%0.441SS*.Hα-helixtrans-61.2-47.3174.4-76177.3-175.800112.2E54 E55 I60 E61 E62E54-E58 WeakPolarHBondContact O-CG 3.28Å; E54-E58 PolarHBondContact O-N 3.33Å; E55-E58 PolarHBondContact O-N 3.4Å; E58-I60 PolarHBondContact O-N 3.39Å; E58-E61 PolarHBondContact O-N 2.89Å; E58-E62 WeakPolarHBondContact O-CG 3.42Å; E58-E62 PolarHBondContact O-N 3.22Å
59I83.1Confident83.6Confident45 Ų4582.3 Ų82.323%0.23143%0.43CS..Hα-helixtrans-58.1-41177.6-69.9161000111L40 M44 E55 V63 M79L40-I59 HydrophobicContact CD2-CB 4.38Å; L40-I59 HydrophobicContact CD2-CG2 3.9Å; M44-I59 HydrophobicContact CE-CD1 3.94Å; M44-I59 HydrophobicContact SD-CD1 4.42Å; E55-I59 WeakPolarHBondContact O-CD1 3.39Å; E55-I59 WeakPolarHBondContact O-CG1 3.47Å; E55-I59 PolarHBondContact O-N 2.8Å; I59-V63 WeakPolarHBondContact O-CG2 3.45Å; I59-M79 HydrophobicContact CG2-SD 4.03Å
60I85.4Confident84.1Confident6 Ų677.4 Ų77.43%0.03141%0.409CS..Hα-helixtrans-70-47.1179.3-75170.5000110.4T37 L40 L56 D57 E58 E62 V63 D64 I71T37-I60 HydrophobicContact CG2-CD1 3.26Å; T37-I60 HydrophobicContact CG2-CG1 4.47Å; L40-I60 HydrophobicContact CD2-CD1 4.22Å; L40-I60 HydrophobicContact CD2-CG1 4.16Å; L56-I60 WeakPolarHBondContact O-CG1 3.33Å; L56-I60 PolarHBondContact O-N 2.84Å; D57-I60 PolarHBondContact O-N 3.3Å; E58-I60 PolarHBondContact O-N 3.39Å; I60-E62 PolarHBondContact O-N 2.97Å; I60-V63 PolarHBondContact O-N 3.47Å; I60-V63 VanDerWaalsContact O-N 3.08Å; I60-D64 HydrophobicContact CG2-CB 4.15Å; I60-D64 WeakPolarHBondContact O-CB 3.34Å; I60-D64 PolarHBondContact O-N 3.15Å; I60-I71 HydrophobicContact CG1-CD1 3.75Å; I60-I71 HydrophobicContact CG1-CG1 3.82Å
61E86Confident84.6Confident157 Ų15771.3 Ų71.373%0.73438%0.376SS*.Hα-helixtrans-59.3-28.5177.2-76.1-173.6176.200113.3D57 E58D57-E61 WeakPolarHBondContact O-CB 3.04Å; D57-E61 WeakPolarHBondContact O-CG 3.22Å; D57-E61 PolarHBondContact O-N 2.77Å; E58-E61 PolarHBondContact O-N 2.89Å
62E83Confident85Confident144 Ų14473 Ų7367%0.67338%0.384SS*.Hα-helixtrans-72.7-24.3176.8-79-152.810200114.5E58 I60E58-E62 WeakPolarHBondContact O-CG 3.42Å; E58-E62 PolarHBondContact O-N 3.22Å; I60-E62 PolarHBondContact O-N 2.97Å
63V80.6Confident85Confident15 Ų1571.4 Ų71.49%0.09137%0.372CS..Hα-helixtrans-116.8-21.1-173.3-55.60000113.7I59 I60 E65 I71 M79I59-V63 WeakPolarHBondContact O-CG2 3.45Å; I60-V63 PolarHBondContact O-N 3.47Å; I60-V63 VanDerWaalsContact O-N 3.08Å; V63-E65 VanDerWaalsContact C-N 3.32Å; V63-E65 PolarHBondContact O-N 2.81Å; V63-I71 HydrophobicContact CG2-CD1 3.66Å; V63-I71 HydrophobicContact CG2-CG1 3.7Å; V63-I71 HydrophobicContact CG2-CG2 4.14Å; V63-M79 HydrophobicContact CG1-CB 3.91Å; V63-M79 HydrophobicContact CG1-CG 3.96Å; V63-M79 HydrophobicContact CG1-SD 4.21Å
64D85.7Confident85.2Confident28 Ų2864.2 Ų64.215%0.1535%0.346CS..  trans-72.581176.4179.817.6000110I60 D66 G67 S68 G69I60-D64 HydrophobicContact CG2-CB 4.15Å; I60-D64 WeakPolarHBondContact O-CB 3.34Å; I60-D64 PolarHBondContact O-N 3.15Å; D64-D66 VanDerWaalsContact C-N 3.28Å; D64-D66 VanDerWaalsContact OD1-OD1 3.06Å; D64-G67 WeakPolarHBondContact OD1-CA 3.36Å; D64-G67 PolarHBondContact OD1-N 3.26Å; D64-G67 WeakPolarHBondContact OD2-CA 3.25Å; D64-S68 PolarHBondContact OD1-N 3.5Å; D64-S68 PolarHBondContact OD1-OG 2.91Å; D64-S68 PolarHBondContact OD2-N 2.83Å; D64-G69 VanDerWaalsContact OD2-CA 3.3Å; D64-G69 WeakPolarHBondContact OD2-CA 3.3Å; D64-G69 PolarHBondContact OD2-N 3.37Å
65E80.1Confident85.2Confident117 Ų11757.3 Ų57.355%0.54731%0.314SS..SBendtrans-72.6-26.5179.8-76-160.6109.500111.5T2 V63 E75T2-E65 VanDerWaalsContact CB-OE2 3.3Å; T2-E65 WeakPolarHBondContact CB-OE2 3.35Å; T2-E65 WeakPolarHBondContact CG2-OE2 3.34Å; T2-E65 PolarHBondContact OG1-OE2 2.66Å; V63-E65 VanDerWaalsContact C-N 3.32Å; V63-E65 PolarHBondContact O-N 2.81Å; E65-E75 PolarHBondContact N-OE1 3.36Å
66D82.3Confident85.4Confident109 Ų10953.1 Ų53.158%0.58329%0.294SS*.SBendtrans-92.1-10-176.587.3-6000114.2D64 S68D64-D66 VanDerWaalsContact C-N 3.28Å; D64-D66 VanDerWaalsContact OD1-OD1 3.06Å; D66-S68 VanDerWaalsContact C-N 3.34Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 3.43Å; D66-S68 PolarHBondContact OD1-OG 3.21Å
67G82.8Confident85.5Confident60 Ų6052.5 Ų52.562%0.61929%0.291SS*.  trans72.826.2177.300000113D64 G69D64-G67 WeakPolarHBondContact OD1-CA 3.36Å; D64-G67 PolarHBondContact OD1-N 3.26Å; D64-G67 WeakPolarHBondContact OD2-CA 3.25Å; G67-G69 VanDerWaalsContact C-N 3.28Å
68S84.8Confident85.6Confident64 Ų6451 Ų5145%0.44828%0.284SS..  trans-71.7-23.217961.50000112.8D64 D66 S70D64-S68 PolarHBondContact OD1-N 3.5Å; D64-S68 PolarHBondContact OD1-OG 2.91Å; D64-S68 PolarHBondContact OD2-N 2.83Å; D66-S68 VanDerWaalsContact C-N 3.34Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 3.43Å; D66-S68 PolarHBondContact OD1-OG 3.21Å; S68-S70 VanDerWaalsContact C-N 3.28Å; S68-S70 PolarHBondContact OG-N 2.93Å; S68-S70 PolarHBondContact OG-O 3.42Å
69G84.8Confident85.4Confident42 Ų4246.2 Ų46.243%0.43326%0.262SS..SBendtrans76.814-17300000113.7D64 G67D64-G69 VanDerWaalsContact OD2-CA 3.3Å; D64-G69 WeakPolarHBondContact OD2-CA 3.3Å; D64-G69 PolarHBondContact OD2-N 3.37Å; G67-G69 VanDerWaalsContact C-N 3.28Å
70S87.7Confident85.4Confident17 Ų1745.7 Ų45.712%0.11926%0.259CS..EExtended strand (participates in β ladder)trans-139.7165.6169.550.40000110.2D34 I35 S68D34-S70 WeakPolarHBondContact OD2-CB 3.16Å; D34-S70 PolarHBondContact OD2-OG 3.31Å; I35-S70 WeakPolarHBondContact O-CA 3.19Å; I35-S70 WeakPolarHBondContact O-CB 3.38Å; S68-S70 VanDerWaalsContact C-N 3.28Å; S68-S70 PolarHBondContact OG-N 2.93Å; S68-S70 PolarHBondContact OG-O 3.42Å
71I89.2Confident85.3Confident1 Ų145.6 Ų45.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-102.5114.3-177.6-52.2177.1000108.4D34 I35 L40 I60 V63 E75 F76 M79D34-I71 CarbonylContact C-O 3.56Å; D34-I71 WeakPolarHBondContact CA-O 3.33Å; I35-I71 HydrophobicContact CB-CB 4.3Å; I35-I71 PolarHBondContact N-O 2.82Å; I35-I71 PolarHBondContact O-N 3.43Å; L40-I71 HydrophobicContact CD2-CD1 4.37Å; I60-I71 HydrophobicContact CG1-CD1 3.75Å; I60-I71 HydrophobicContact CG1-CG1 3.82Å; V63-I71 HydrophobicContact CG2-CD1 3.66Å; V63-I71 HydrophobicContact CG2-CG1 3.7Å; V63-I71 HydrophobicContact CG2-CG2 4.14Å; I71-E75 HydrophobicContact CG2-CB 3.74Å; I71-F76 HydrophobicContact CG2-CB 3.93Å; I71-M79 HydrophobicContact CD1-SD 4.46Å
72D90.3Very high84.9Confident49 Ų4944.4 Ų44.426%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-75.2170.217283.823.5000111.9E74 E75 F76D72-E74 VanDerWaalsContact C-N 3.27Å; D72-E74 PolarHBondContact O-N 3.39Å; D72-E74 WeakPolarHBondContact OD1-CA 3.49Å; D72-E74 WeakPolarHBondContact OD1-CB 3.33Å; D72-E74 PolarHBondContact OD1-N 3.28Å; D72-E75 PolarHBondContact N-OE2 2.87Å; D72-E75 PolarHBondContact O-N 3.44Å; D72-E75 WeakPolarHBondContact OD1-CG 3.33Å; D72-E75 PolarHBondContact OD1-N 3.1Å; D72-F76 WeakPolarHBondContact O-CB 3.28Å; D72-F76 PolarHBondContact O-N 3.2Å
73F87.9Confident84.4Confident32 Ų3241.6 Ų41.614%0.1424%0.236CC..Hα-helixtrans-60.8-35.6-178.7-178-114.5000113.1L17 K21 F24 L77L17-F73 HydrophobicContact CD2-CE1 4.12Å; L17-F73 HydrophobicContact CD2-CZ 4.13Å; K21-F73 HydrophobicContact CB-CE2 3.94Å; K21-F73 HydrophobicContact CB-CZ 3.84Å; K21-F73 HydrophobicContact CD-CD2 3.92Å; K21-F73 HydrophobicContact CD-CE1 4.26Å; K21-F73 HydrophobicContact CD-CE2 3.6Å; K21-F73 HydrophobicContact CD-CG 4.39Å; K21-F73 HydrophobicContact CD-CZ 3.78Å; K21-F73 HydrophobicContact CG-CE2 4.39Å; K21-F73 HydrophobicContact CG-CZ 4.36Å; F24-F73 HydrophobicContact CB-CD2 3.85Å; F24-F73 HydrophobicContact CB-CE2 4.05Å; F24-F73 HydrophobicContact CD1-CD2 4.12Å; F24-F73 HydrophobicContact CD2-CB 4.42Å; F24-F73 AromaticContact CD2-CD2 3.8Å; F24-F73 HydrophobicContact CD2-CD2 3.8Å; F24-F73 HydrophobicContact CE1-CB 4.43Å; F24-F73 HydrophobicContact CE2-CB 4.17Å; F24-F73 HydrophobicContact CE2-CD2 4.38Å; F24-F73 AromaticContact CG-CD2 3.65Å; F24-F73 HydrophobicContact CG-CD2 3.65Å; F24-F73 HydrophobicContact CG-CE2 4.36Å; F24-F73 HydrophobicContact CZ-CB 4.17Å; F73-L77 HydrophobicContact CD1-CD1 4.28Å; F73-L77 HydrophobicContact CE1-CD1 3.75Å; F73-L77 HydrophobicContact CE1-CD2 4.43Å; F73-L77 HydrophobicContact CE1-CG 4.16Å; F73-L77 HydrophobicContact CE2-CD2 4.09Å; F73-L77 HydrophobicContact CE2-CG 4.32Å; F73-L77 HydrophobicContact CZ-CD1 4.01Å; F73-L77 HydrophobicContact CZ-CD2 3.84Å; F73-L77 HydrophobicContact CZ-CG 4.03Å; F73-L77 WeakPolarHBondContact O-CG 3.49Å; F73-L77 PolarHBondContact O-N 3.09Å; F73-L77 VanDerWaalsContact O-N 3.07Å
74E88Confident84Confident37 Ų3743.3 Ų43.317%0.17325%0.245CC..Hα-helixtrans-73.2-38.3-179.5-55.6-67.115500111M1 Q5 R9 D72 L77 V78M1-E74 HydrophobicContact CE-CG 4.22Å; M1-E74 WeakPolarHBondContact CE-OE2 3.45Å; Q5-E74 HydrophobicContact CB-CB 4.38Å; Q5-E74 HydrophobicContact CG-CB 4Å; R9-E74 IonicContact CZ-OE1 2.96Å; R9-E74 VanDerWaalsContact NH1-CD 3.26Å; R9-E74 IonicContact NH1-OE1 2.97Å; R9-E74 PolarHBondContact NH1-OE1 3.06Å; R9-E74 IonicContact NH1-OE2 2.76Å; R9-E74 PolarHBondContact NH1-OE2 2.65Å; D72-E74 VanDerWaalsContact C-N 3.27Å; D72-E74 PolarHBondContact O-N 3.39Å; D72-E74 WeakPolarHBondContact OD1-CA 3.49Å; D72-E74 WeakPolarHBondContact OD1-CB 3.33Å; D72-E74 PolarHBondContact OD1-N 3.28Å; E74-L77 PolarHBondContact O-N 2.8Å; E74-V78 WeakPolarHBondContact O-CG2 3.45Å; E74-V78 PolarHBondContact O-N 3.12Å; E74-V78 VanDerWaalsContact O-N 3.09Å
75E88.2Confident83.1Confident2 Ų245.5 Ų45.51%0.00925%0.253CS..Hα-helixtrans-64.8-39.7172.5-67.2172.1146.100111.5E65 I71 D72 L77 V78 M79E65-E75 PolarHBondContact N-OE1 3.36Å; I71-E75 HydrophobicContact CG2-CB 3.74Å; D72-E75 PolarHBondContact N-OE2 2.87Å; D72-E75 PolarHBondContact O-N 3.44Å; D72-E75 WeakPolarHBondContact OD1-CG 3.33Å; D72-E75 PolarHBondContact OD1-N 3.1Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.1Å; E75-V78 PolarHBondContact O-N 3.41Å; E75-M79 PolarHBondContact O-N 2.87Å
76F87.4Confident82.3Confident1 Ų145.8 Ų45.80%0.00425%0.254CS..Hα-helixtrans-60.7-40.2172.9-179.7-96.2000111.9F20 A23 F24 F27 I35 I71 D72 M79 M80F20-F76 HydrophobicContact CB-CE1 4.2Å; F20-F76 HydrophobicContact CD1-CE1 4.31Å; A23-F76 HydrophobicContact CB-CZ 4.42Å; F24-F76 HydrophobicContact CB-CD1 4.2Å; F24-F76 HydrophobicContact CB-CE1 4.18Å; F24-F76 HydrophobicContact CD2-CB 3.72Å; F24-F76 AromaticContact CD2-CD1 3.93Å; F24-F76 HydrophobicContact CD2-CD1 3.93Å; F24-F76 HydrophobicContact CD2-CD2 4.11Å; F24-F76 AromaticContact CD2-CG 3.66Å; F24-F76 HydrophobicContact CD2-CG 3.66Å; F24-F76 HydrophobicContact CE2-CB 3.98Å; F24-F76 HydrophobicContact CE2-CG 4.37Å; F27-F76 AromaticContact CD2-CE2 3.98Å; F27-F76 HydrophobicContact CD2-CE2 3.98Å; F27-F76 HydrophobicContact CD2-CZ 4.15Å; F27-F76 AromaticContact CE2-CE2 3.98Å; F27-F76 HydrophobicContact CE2-CE2 3.98Å; F27-F76 HydrophobicContact CE2-CZ 4.01Å; I35-F76 HydrophobicContact CD1-CD2 3.73Å; I35-F76 HydrophobicContact CD1-CE2 4.11Å; I35-F76 HydrophobicContact CD1-CG 4.42Å; I71-F76 HydrophobicContact CG2-CB 3.93Å; D72-F76 WeakPolarHBondContact O-CB 3.28Å; D72-F76 PolarHBondContact O-N 3.2Å; F76-M79 HydrophobicContact CD2-CE 3.89Å; F76-M79 HydrophobicContact CE2-CE 4.03Å; F76-M79 PolarHBondContact O-N 2.99Å; F76-M80 HydrophobicContact CD1-CG 3.94Å; F76-M80 HydrophobicContact CD2-CE 4.46Å; F76-M80 HydrophobicContact CE1-CG 3.55Å; F76-M80 HydrophobicContact CE1-SD 4.3Å; F76-M80 HydrophobicContact CE2-CE 3.72Å; F76-M80 HydrophobicContact CE2-CG 4.28Å; F76-M80 HydrophobicContact CE2-SD 4.5Å; F76-M80 HydrophobicContact CG-CG 4.46Å; F76-M80 HydrophobicContact CZ-CE 3.75Å; F76-M80 HydrophobicContact CZ-CG 3.74Å; F76-M80 HydrophobicContact CZ-SD 3.95Å; F76-M80 WeakPolarHBondContact O-CB 3.35Å; F76-M80 VanDerWaalsContact O-CG 3.28Å; F76-M80 WeakPolarHBondContact O-CG 3.3Å; F76-M80 PolarHBondContact O-N 3.23Å
77L87.7Confident81.1Confident1 Ų147 Ų471%0.00526%0.26CS..Hα-helixtrans-65.1-40.4175.1-68.1-178.8000111.8L12 L17 F20 F73 E74 E75 M79 M80 V81L12-L77 HydrophobicContact CD1-CB 4.29Å; L12-L77 HydrophobicContact CD1-CD1 4.46Å; L12-L77 HydrophobicContact CD1-CD2 3.69Å; L12-L77 HydrophobicContact CD1-CG 4.35Å; L17-L77 HydrophobicContact CD1-CD1 4.23Å; L17-L77 HydrophobicContact CG-CD1 4.32Å; F20-L77 HydrophobicContact CB-CD2 3.79Å; F20-L77 HydrophobicContact CD2-CD2 4.19Å; F20-L77 HydrophobicContact CG-CD2 4.3Å; F73-L77 HydrophobicContact CD1-CD1 4.28Å; F73-L77 HydrophobicContact CE1-CD1 3.75Å; F73-L77 HydrophobicContact CE1-CD2 4.43Å; F73-L77 HydrophobicContact CE1-CG 4.16Å; F73-L77 HydrophobicContact CE2-CD2 4.09Å; F73-L77 HydrophobicContact CE2-CG 4.32Å; F73-L77 HydrophobicContact CZ-CD1 4.01Å; F73-L77 HydrophobicContact CZ-CD2 3.84Å; F73-L77 HydrophobicContact CZ-CG 4.03Å; F73-L77 WeakPolarHBondContact O-CG 3.49Å; F73-L77 PolarHBondContact O-N 3.09Å; F73-L77 VanDerWaalsContact O-N 3.07Å; E74-L77 PolarHBondContact O-N 2.8Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.1Å; L77-M79 VanDerWaalsContact C-N 3.33Å; L77-M80 PolarHBondContact O-N 3.38Å; L77-V81 WeakPolarHBondContact O-CB 3.27Å; L77-V81 VanDerWaalsContact O-CG2 3.27Å; L77-V81 WeakPolarHBondContact O-CG2 3.37Å; L77-V81 PolarHBondContact O-N 3.2Å
78V85.8Confident79.8Confident22 Ų2250.3 Ų50.313%0.13326%0.26CS..Hα-helixtrans-60.4-45.7175.1173.90000110.5A4 Q5 A8 E74 E75 V81 R82A4-V78 HydrophobicContact CB-CG1 4.31Å; A4-V78 HydrophobicContact CB-CG2 4.3Å; Q5-V78 HydrophobicContact CB-CG2 4.25Å; Q5-V78 HydrophobicContact CG-CG2 3.76Å; A8-V78 HydrophobicContact CB-CG2 3.94Å; E74-V78 WeakPolarHBondContact O-CG2 3.45Å; E74-V78 PolarHBondContact O-N 3.12Å; E74-V78 VanDerWaalsContact O-N 3.09Å; E75-V78 PolarHBondContact O-N 3.41Å; V78-V81 PolarHBondContact O-N 3.35Å; V78-R82 WeakPolarHBondContact O-CB 3.01Å; V78-R82 WeakPolarHBondContact O-CG 3.29Å; V78-R82 PolarHBondContact O-N 2.95Å
79M83.6Confident78.2Confident22 Ų2250.7 Ų50.711%0.10827%0.267CS..Hα-helixtrans-59.8-50.2175.7-171.3-179.974.900111.8I59 V63 I71 E75 F76 L77 V81 R82 L83I59-M79 HydrophobicContact CG2-SD 4.03Å; V63-M79 HydrophobicContact CG1-CB 3.91Å; V63-M79 HydrophobicContact CG1-CG 3.96Å; V63-M79 HydrophobicContact CG1-SD 4.21Å; I71-M79 HydrophobicContact CD1-SD 4.46Å; E75-M79 PolarHBondContact O-N 2.87Å; F76-M79 HydrophobicContact CD2-CE 3.89Å; F76-M79 HydrophobicContact CE2-CE 4.03Å; F76-M79 PolarHBondContact O-N 2.99Å; L77-M79 VanDerWaalsContact C-N 3.33Å; M79-V81 VanDerWaalsContact C-N 3.34Å; M79-V81 PolarHBondContact O-N 3.39Å; M79-R82 WeakPolarHBondContact O-CB 3.39Å; M79-R82 PolarHBondContact O-N 3.08Å; M79-L83 HydrophobicContact CG-CD1 4.25Å; M79-L83 WeakPolarHBondContact O-CG 3.33Å; M79-L83 PolarHBondContact O-N 2.96Å
80M82.6Confident76.8Confident34 Ų3450 Ų5017%0.16726%0.259CS..Hα-helixtrans-63-39179.9-72.2-68.9124.200112.3F20 F76 L77 L83 L84F20-M80 HydrophobicContact CD1-CB 4.12Å; F20-M80 HydrophobicContact CD1-CG 3.77Å; F20-M80 HydrophobicContact CD1-SD 3.99Å; F20-M80 HydrophobicContact CD2-CB 4.47Å; F20-M80 HydrophobicContact CE1-CB 3.83Å; F20-M80 HydrophobicContact CE1-CG 3.76Å; F20-M80 HydrophobicContact CE1-SD 3.64Å; F20-M80 HydrophobicContact CE2-CB 4.15Å; F20-M80 HydrophobicContact CG-CB 4.46Å; F20-M80 HydrophobicContact CG-CG 4.37Å; F20-M80 HydrophobicContact CZ-CB 3.84Å; F20-M80 HydrophobicContact CZ-CG 4.31Å; F20-M80 HydrophobicContact CZ-SD 4.45Å; F76-M80 HydrophobicContact CD1-CG 3.94Å; F76-M80 HydrophobicContact CD2-CE 4.46Å; F76-M80 HydrophobicContact CE1-CG 3.55Å; F76-M80 HydrophobicContact CE1-SD 4.3Å; F76-M80 HydrophobicContact CE2-CE 3.72Å; F76-M80 HydrophobicContact CE2-CG 4.28Å; F76-M80 HydrophobicContact CE2-SD 4.5Å; F76-M80 HydrophobicContact CG-CG 4.46Å; F76-M80 HydrophobicContact CZ-CE 3.75Å; F76-M80 HydrophobicContact CZ-CG 3.74Å; F76-M80 HydrophobicContact CZ-SD 3.95Å; F76-M80 WeakPolarHBondContact O-CB 3.35Å; F76-M80 VanDerWaalsContact O-CG 3.28Å; F76-M80 WeakPolarHBondContact O-CG 3.3Å; F76-M80 PolarHBondContact O-N 3.23Å; L77-M80 PolarHBondContact O-N 3.38Å; M80-L83 HydrophobicContact CE-CD1 3.95Å; M80-L83 PolarHBondContact O-N 3.27Å; M80-L84 WeakPolarHBondContact O-CB 3.48Å; M80-L84 VanDerWaalsContact O-CG 3.28Å; M80-L84 WeakPolarHBondContact O-CG 3.4Å; M80-L84 PolarHBondContact O-N 2.79Å
81V82.8Confident75.4Confident4 Ų454.4 Ų54.42%0.02428%0.277CS..Hα-helixtrans-69.3-36.3176.51700000111.4A8 Y11 L12 L77 V78 M79 K85A8-V81 HydrophobicContact CB-CB 4.02Å; A8-V81 HydrophobicContact CB-CG1 4.36Å; A8-V81 HydrophobicContact CB-CG2 3.84Å; Y11-V81 HydrophobicContact CD1-CG1 3.82Å; Y11-V81 HydrophobicContact CD1-CG2 4.25Å; Y11-V81 HydrophobicContact CE1-CG1 4.39Å; Y11-V81 HydrophobicContact CG-CG1 4.25Å; L12-V81 HydrophobicContact CD1-CG2 3.66Å; L12-V81 HydrophobicContact CD2-CG2 3.64Å; L12-V81 HydrophobicContact CG-CG2 3.56Å; L77-V81 WeakPolarHBondContact O-CB 3.27Å; L77-V81 VanDerWaalsContact O-CG2 3.27Å; L77-V81 WeakPolarHBondContact O-CG2 3.37Å; L77-V81 PolarHBondContact O-N 3.2Å; V78-V81 PolarHBondContact O-N 3.35Å; M79-V81 VanDerWaalsContact C-N 3.34Å; M79-V81 PolarHBondContact O-N 3.39Å; V81-K85 HydrophobicContact CG1-CD 4.03Å; V81-K85 HydrophobicContact CG1-CG 4.35Å; V81-K85 VanDerWaalsContact O-CB 3.27Å; V81-K85 WeakPolarHBondContact O-CB 3.18Å; V81-K85 VanDerWaalsContact O-CG 3.23Å; V81-K85 WeakPolarHBondContact O-CG 3.5Å; V81-K85 PolarHBondContact O-N 2.78Å
82R78.3Confident74Confident132 Ų13256.9 Ų56.950%0.49829%0.294SS..Hα-helixtrans-62.5-48.7172-76176.5114.9-174.4-2.5111V78 M79 L84 K85 E86V78-R82 WeakPolarHBondContact O-CB 3.01Å; V78-R82 WeakPolarHBondContact O-CG 3.29Å; V78-R82 PolarHBondContact O-N 2.95Å; M79-R82 WeakPolarHBondContact O-CB 3.39Å; M79-R82 PolarHBondContact O-N 3.08Å; R82-L84 PolarHBondContact O-N 3.16Å; R82-K85 CarbonylContact O-C 3.54Å; R82-K85 PolarHBondContact O-N 3.2Å; R82-K85 VanDerWaalsContact O-N 3.16Å; R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.48Å; R82-E86 PolarHBondContact O-N 3.45Å
83L72.9Confident72.7Confident85 Ų8561.1 Ų61.145%0.44531%0.312SS..Hα-helixtrans-61.3-43.4177-69.8171.9000112.2M79 M80 K85 E86 D87M79-L83 HydrophobicContact CG-CD1 4.25Å; M79-L83 WeakPolarHBondContact O-CG 3.33Å; M79-L83 PolarHBondContact O-N 2.96Å; M80-L83 HydrophobicContact CE-CD1 3.95Å; M80-L83 PolarHBondContact O-N 3.27Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 2.98Å; L83-E86 PolarHBondContact O-N 3.46Å; L83-D87 WeakPolarHBondContact O-CB 3.33Å; L83-D87 PolarHBondContact O-N 3.43Å
84L72Confident71.6Confident51 Ų5167.3 Ų67.327%0.26734%0.342SS..Hα-helixtrans-62.7-41.3174.7-77.7176.3000111.7L12 M16 F20 M80 R82 E86 D87 E88L12-L84 HydrophobicContact CD2-CD1 4.15Å; M16-L84 HydrophobicContact CE-CD1 4.44Å; M16-L84 HydrophobicContact SD-CD1 3.78Å; F20-L84 HydrophobicContact CE2-CD1 3.83Å; F20-L84 HydrophobicContact CZ-CD1 3.63Å; F20-L84 HydrophobicContact CZ-CG 4.24Å; M80-L84 WeakPolarHBondContact O-CB 3.48Å; M80-L84 VanDerWaalsContact O-CG 3.28Å; M80-L84 WeakPolarHBondContact O-CG 3.4Å; M80-L84 PolarHBondContact O-N 2.79Å; R82-L84 PolarHBondContact O-N 3.16Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-D87 PolarHBondContact O-N 3.35Å; L84-E88 VanDerWaalsContact O-CB 3.25Å; L84-E88 WeakPolarHBondContact O-CB 3.48Å; L84-E88 WeakPolarHBondContact O-CG 3.39Å; L84-E88 PolarHBondContact O-N 2.92Å
85K67.3Low70.5Confident73 Ų7370.6 Ų70.632%0.31736%0.357SS..Hα-helixtrans-67.9-34.1175.8-76.9176.7177-177.50111.6E7 Y11 V81 R82 L83 A89E7-K85 IonicContact OE1-NZ 2.79Å; E7-K85 PolarHBondContact OE1-NZ 3.46Å; Y11-K85 HydrophobicContact CE1-CG 4.46Å; V81-K85 HydrophobicContact CG1-CD 4.03Å; V81-K85 HydrophobicContact CG1-CG 4.35Å; V81-K85 VanDerWaalsContact O-CB 3.27Å; V81-K85 WeakPolarHBondContact O-CB 3.18Å; V81-K85 VanDerWaalsContact O-CG 3.23Å; V81-K85 WeakPolarHBondContact O-CG 3.5Å; V81-K85 PolarHBondContact O-N 2.78Å; R82-K85 CarbonylContact O-C 3.54Å; R82-K85 PolarHBondContact O-N 3.2Å; R82-K85 VanDerWaalsContact O-N 3.16Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 2.98Å; K85-A89 WeakPolarHBondContact O-CA 3.32Å; K85-A89 WeakPolarHBondContact O-CB 3.23Å; K85-A89 PolarHBondContact O-N 3.16Å
86E62.9Low69.8Low124 Ų12470.9 Ų70.958%0.57936%0.359SS*.Hα-helixtrans-70.9-40174.3-76.2172.2169.700111.7R82 L83 L84 G90R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.48Å; R82-E86 PolarHBondContact O-N 3.45Å; L83-E86 PolarHBondContact O-N 3.46Å; L84-E86 VanDerWaalsContact C-N 3.34Å; E86-G90 PolarHBondContact O-N 3.27Å
87D56.9Low69.1Low133 Ų13372.3 Ų72.371%0.71137%0.37SS*.Hα-helixtrans-70.2-40.2176.6-150.9-101000111.2L83 L84 Q160L83-D87 WeakPolarHBondContact O-CB 3.33Å; L83-D87 PolarHBondContact O-N 3.43Å; L84-D87 PolarHBondContact O-N 3.35Å; D87-Q160 PolarHBondContact O-NE2 3.36Å
88E54.4Low68.6Low130 Ų13078.8 Ų78.861%0.60740%0.401SS*.Hα-helixtrans-74.1-35.5174-77.1-155.813800113Y11 L84 G90 Q160Y11-E88 PolarHBondContact OH-OE2 3.13Å; L84-E88 VanDerWaalsContact O-CB 3.25Å; L84-E88 WeakPolarHBondContact O-CB 3.48Å; L84-E88 WeakPolarHBondContact O-CG 3.39Å; L84-E88 PolarHBondContact O-N 2.92Å; E88-G90 PolarHBondContact O-N 2.8Å; E88-Q160 PolarHBondContact O-NE2 2.62Å
89A51.9Low68Low73 Ų7379.5 Ų79.560%0.60341%0.406SS*.Hα-helixtrans-73.9-8.8-178.500000113.6K85K85-A89 WeakPolarHBondContact O-CA 3.32Å; K85-A89 WeakPolarHBondContact O-CB 3.23Å; K85-A89 PolarHBondContact O-N 3.16Å
90G55.6Low67.8Low26 Ų2679.3 Ų79.327%0.26841%0.405SS..  trans64.9-179.6-170.400000111.2E86 E88 S92E86-G90 PolarHBondContact O-N 3.27Å; E88-G90 PolarHBondContact O-N 2.8Å; G90-S92 PolarHBondContact O-N 3.06Å
91K57.1Low67.7Low111 Ų11186.6 Ų86.648%0.48343%0.43SS..SBendtrans-50.7133.5-179.5-66.4174.3-177.11700110.2E95 L96K91-E95 HydrophobicContact CB-CB 4.33Å; K91-L96 HydrophobicContact CB-CD1 4.19Å; K91-L96 HydrophobicContact CB-CD2 3.81Å; K91-L96 HydrophobicContact CB-CG 3.71Å; K91-L96 HydrophobicContact CD-CD2 3.94Å; K91-L96 WeakPolarHBondContact O-CD1 3.25Å
92S61.3Low67.6Low53 Ų5390.2 Ų90.237%0.37145%0.453SS..  trans-59.3155.1179.262.20000111.7G90 E94 E95 L96G90-S92 PolarHBondContact O-N 3.06Å; S92-E94 PolarHBondContact O-N 3.16Å; S92-E94 VanDerWaalsContact O-N 3.13Å; S92-E95 PolarHBondContact N-OE2 2.96Å; S92-E95 PolarHBondContact O-N 2.89Å; S92-E95 VanDerWaalsContact O-N 3.07Å; S92-E95 WeakPolarHBondContact OG-CB 2.89Å; S92-E95 VanDerWaalsContact OG-CG 3.23Å; S92-E95 WeakPolarHBondContact OG-CG 3.4Å; S92-E95 PolarHBondContact OG-N 2.87Å; S92-E95 PolarHBondContact OG-OE2 3.34Å; S92-L96 WeakPolarHBondContact O-CB 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.42Å; S92-L96 PolarHBondContact O-N 2.73Å
93E63Low67.6Low138 Ų13885.1 Ų85.165%0.64543%0.434SS*.Hα-helixtrans-55.3-32.2175.6-170.8-178.7170.800111.5A97 F149E93-A97 WeakPolarHBondContact O-CB 3.23Å; E93-A97 PolarHBondContact O-N 3.35Å; E93-F149 HydrophobicContact CG-CE1 4.2Å; E93-F149 HydrophobicContact CG-CZ 3.99Å
94E64.1Low68.1Low161 Ų16181.9 Ų81.975%0.75242%0.417SS*.Hα-helixtrans-68-47.3175.7-65.6-174167.900112S92 L96 A97 E98S92-E94 PolarHBondContact O-N 3.16Å; S92-E94 VanDerWaalsContact O-N 3.13Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3Å; E94-A97 PolarHBondContact O-N 3.4Å; E94-E98 WeakPolarHBondContact O-CG 3.33Å; E94-E98 PolarHBondContact O-N 3.12Å
95E65.9Low68.4Low106 Ų10685.3 Ų85.350%0.49543%0.43SS..Hα-helixtrans-65-37175-73173.6118.800112.2K91 S92 E98 C99K91-E95 HydrophobicContact CB-CB 4.33Å; S92-E95 PolarHBondContact N-OE2 2.96Å; S92-E95 PolarHBondContact O-N 2.89Å; S92-E95 VanDerWaalsContact O-N 3.07Å; S92-E95 WeakPolarHBondContact OG-CB 2.89Å; S92-E95 VanDerWaalsContact OG-CG 3.23Å; S92-E95 WeakPolarHBondContact OG-CG 3.4Å; S92-E95 PolarHBondContact OG-N 2.87Å; S92-E95 PolarHBondContact OG-OE2 3.34Å; E95-E98 PolarHBondContact O-N 3.25Å; E95-C99 VanDerWaalsContact O-CB 3.24Å; E95-C99 WeakPolarHBondContact O-CB 3.45Å; E95-C99 PolarHBondContact O-N 3.31Å; E95-C99 PolarHBondContact O-SG 3.23Å
96L71.4Confident69.1Low9 Ų985.8 Ų85.85%0.04744%0.436CS..Hα-helixtrans-69.2-36.2175.3-70.6171.2000111.3K91 S92 E94 C99 F100 F152 L153 M156K91-L96 HydrophobicContact CB-CD1 4.19Å; K91-L96 HydrophobicContact CB-CD2 3.81Å; K91-L96 HydrophobicContact CB-CG 3.71Å; K91-L96 HydrophobicContact CD-CD2 3.94Å; K91-L96 WeakPolarHBondContact O-CD1 3.25Å; S92-L96 WeakPolarHBondContact O-CB 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.42Å; S92-L96 PolarHBondContact O-N 2.73Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3Å; L96-C99 WeakPolarHBondContact O-CB 3.41Å; L96-C99 PolarHBondContact O-N 3.17Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 PolarHBondContact O-N 3Å; L96-F152 HydrophobicContact CD2-CE1 4.02Å; L96-L153 HydrophobicContact CB-CD2 3.57Å; L96-L153 HydrophobicContact CD1-CD2 3.25Å; L96-L153 HydrophobicContact CG-CD2 3.97Å; L96-M156 HydrophobicContact CD2-CB 3.74Å; L96-M156 HydrophobicContact CD2-CG 3.73Å; L96-M156 HydrophobicContact CD2-SD 4.43Å
97A74.7Confident70Confident30 Ų3082.8 Ų82.825%0.24844%0.438CS..Hα-helixtrans-69.4-38.2173.800000112.6E93 E94 R101 F149E93-A97 WeakPolarHBondContact O-CB 3.23Å; E93-A97 PolarHBondContact O-N 3.35Å; E94-A97 PolarHBondContact O-N 3.4Å; A97-R101 WeakPolarHBondContact O-CB 3.26Å; A97-R101 PolarHBondContact O-N 3.06Å; A97-F149 HydrophobicContact CB-CE2 3.97Å; A97-F149 HydrophobicContact CB-CZ 4.02Å
98E75.8Confident71.4Confident137 Ų13780.2 Ų80.264%0.6443%0.425SS*.Hα-helixtrans-66.8-44.3172.1-72.4-154.3142.600111.4E94 E95 R101 V102E94-E98 WeakPolarHBondContact O-CG 3.33Å; E94-E98 PolarHBondContact O-N 3.12Å; E95-E98 PolarHBondContact O-N 3.25Å; E98-R101 PolarHBondContact O-N 2.95Å; E98-V102 WeakPolarHBondContact O-CG2 3.36Å; E98-V102 PolarHBondContact O-N 3.34Å
99C74.2Confident72.8Confident38 Ų3875.6 Ų75.626%0.25741%0.412SS..Hα-helixtrans-54.4-55.4171.3-78.70000110E95 L96 R101 V102 F103 F152E95-C99 VanDerWaalsContact O-CB 3.24Å; E95-C99 WeakPolarHBondContact O-CB 3.45Å; E95-C99 PolarHBondContact O-N 3.31Å; E95-C99 PolarHBondContact O-SG 3.23Å; L96-C99 WeakPolarHBondContact O-CB 3.41Å; L96-C99 PolarHBondContact O-N 3.17Å; C99-R101 VanDerWaalsContact C-N 3.26Å; C99-R101 PolarHBondContact O-N 2.79Å; C99-V102 CarbonylContact O-C 3.56Å; C99-V102 WeakPolarHBondContact O-CA 3.49Å; C99-V102 WeakPolarHBondContact O-CB 3.36Å; C99-V102 PolarHBondContact O-N 2.79Å; C99-F103 HydrophobicContact CB-CD2 4.27Å; C99-F103 HydrophobicContact CB-CE2 3.94Å; C99-F103 WeakPolarHBondContact O-CD2 3.46Å; C99-F103 PolarHBondContact O-N 3.11Å; C99-F152 HydrophobicContact CB-CE1 4.32Å; C99-F152 HydrophobicContact CB-CZ 4.26Å
100F78.3Confident74.4Confident17 Ų1776.8 Ų76.88%0.07540%0.402CS..Hα-helixtrans-53.7-43.3-179.7-171-88.2000111.6L96 V102 F103 D104 G109 I111 F149 F152L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 PolarHBondContact O-N 3Å; F100-V102 VanDerWaalsContact C-N 3.3Å; F100-V102 PolarHBondContact O-N 2.92Å; F100-F103 CarbonylContact O-C 3.59Å; F100-F103 WeakPolarHBondContact O-CA 3.46Å; F100-F103 WeakPolarHBondContact O-CB 3.28Å; F100-F103 PolarHBondContact O-N 3.4Å; F100-F103 VanDerWaalsContact O-N 3.11Å; F100-D104 HydrophobicContact CD1-CB 4.4Å; F100-D104 HydrophobicContact CE1-CB 4.14Å; F100-D104 WeakPolarHBondContact O-CB 3.28Å; F100-D104 PolarHBondContact O-N 2.97Å; F100-G109 VanDerWaalsContact CZ-O 3.27Å; F100-G109 WeakPolarHBondContact CZ-O 3.5Å; F100-I111 HydrophobicContact CD2-CD1 3.38Å; F100-I111 HydrophobicContact CD2-CG1 3.99Å; F100-I111 HydrophobicContact CE2-CD1 3.42Å; F100-I111 VanDerWaalsContact CE2-CD1 3.42Å; F100-I111 HydrophobicContact CE2-CG1 3.61Å; F100-I111 HydrophobicContact CG-CD1 4.17Å; F100-I111 HydrophobicContact CZ-CD1 4.22Å; F100-I111 HydrophobicContact CZ-CG1 3.92Å; F100-F149 HydrophobicContact CB-CD2 3.99Å; F100-F149 HydrophobicContact CB-CE2 4.19Å; F100-F149 HydrophobicContact CD1-CD2 4.27Å; F100-F149 AromaticContact CD2-CD2 3.9Å; F100-F149 HydrophobicContact CD2-CD2 3.9Å; F100-F149 HydrophobicContact CE2-CB 4.29Å; F100-F149 HydrophobicContact CE2-CD2 4.5Å; F100-F149 AromaticContact CG-CD2 3.78Å; F100-F149 HydrophobicContact CG-CD2 3.78Å; F100-F149 HydrophobicContact CG-CE2 4.47Å; F100-F149 HydrophobicContact CZ-CB 4.39Å; F100-F152 HydrophobicContact CB-CD1 4.37Å; F100-F152 HydrophobicContact CB-CE1 4.4Å; F100-F152 HydrophobicContact CD2-CB 3.88Å; F100-F152 AromaticContact CD2-CD1 3.92Å; F100-F152 HydrophobicContact CD2-CD1 3.92Å; F100-F152 AromaticContact CD2-CG 3.85Å; F100-F152 HydrophobicContact CD2-CG 3.85Å; F100-F152 HydrophobicContact CE2-CB 4.07Å; F100-F152 HydrophobicContact CE2-CG 4.46Å
101R80.6Confident75.9Confident187 Ų18775.6 Ų75.671%0.70639%0.389SS*.Hα-helixtrans-68.3-27.1176.2-164-177.8-58.9177.25.6113.6A97 E98 C99A97-R101 WeakPolarHBondContact O-CB 3.26Å; A97-R101 PolarHBondContact O-N 3.06Å; E98-R101 PolarHBondContact O-N 2.95Å; C99-R101 VanDerWaalsContact C-N 3.26Å; C99-R101 PolarHBondContact O-N 2.79Å
102V80.4Confident77.3Confident81 Ų8172.4 Ų72.449%0.49138%0.377SS..Hα-helixtrans-73.9-34.2171.8171.20000110.7E98 C99 F100 K105 I119E98-V102 WeakPolarHBondContact O-CG2 3.36Å; E98-V102 PolarHBondContact O-N 3.34Å; C99-V102 CarbonylContact O-C 3.56Å; C99-V102 WeakPolarHBondContact O-CA 3.49Å; C99-V102 WeakPolarHBondContact O-CB 3.36Å; C99-V102 PolarHBondContact O-N 2.79Å; F100-V102 VanDerWaalsContact C-N 3.3Å; F100-V102 PolarHBondContact O-N 2.92Å; V102-K105 WeakPolarHBondContact O-CE 3.18Å; V102-K105 PolarHBondContact O-NZ 3.24Å; V102-I119 HydrophobicContact CG1-CD1 4.27Å
103F77.9Confident78.5Confident25 Ų2574.5 Ų74.511%0.1138%0.377CS..Hα-helixtrans-71.4-55175.3-69.9-80.6000112.6C99 F100 K105 I111 I119 F152C99-F103 HydrophobicContact CB-CD2 4.27Å; C99-F103 HydrophobicContact CB-CE2 3.94Å; C99-F103 WeakPolarHBondContact O-CD2 3.46Å; C99-F103 PolarHBondContact O-N 3.11Å; F100-F103 CarbonylContact O-C 3.59Å; F100-F103 WeakPolarHBondContact O-CA 3.46Å; F100-F103 WeakPolarHBondContact O-CB 3.28Å; F100-F103 PolarHBondContact O-N 3.4Å; F100-F103 VanDerWaalsContact O-N 3.11Å; F103-K105 PolarHBondContact O-N 3.3Å; F103-I111 HydrophobicContact CB-CD1 3.43Å; F103-I111 VanDerWaalsContact CB-CD1 3.43Å; F103-I111 HydrophobicContact CB-CG1 3.75Å; F103-I111 HydrophobicContact CB-CG2 4.2Å; F103-I111 HydrophobicContact CD2-CD1 4.39Å; F103-I111 HydrophobicContact CG-CD1 4.02Å; F103-I119 HydrophobicContact CD1-CB 3.44Å; F103-I119 VanDerWaalsContact CD1-CB 3.44Å; F103-I119 HydrophobicContact CD1-CG1 3.54Å; F103-I119 HydrophobicContact CD1-CG2 3.53Å; F103-I119 HydrophobicContact CE1-CB 3.44Å; F103-I119 VanDerWaalsContact CE1-CB 3.44Å; F103-I119 HydrophobicContact CE1-CG1 4.05Å; F103-I119 HydrophobicContact CE1-CG2 3.1Å; F103-I119 HydrophobicContact CG-CG1 4.24Å; F103-I119 HydrophobicContact CG-CG2 4.44Å; F103-I119 HydrophobicContact CZ-CB 4.45Å; F103-I119 HydrophobicContact CZ-CG2 3.67Å; F103-F152 AromaticContact CD2-CE2 3.88Å; F103-F152 HydrophobicContact CD2-CE2 3.88Å; F103-F152 AromaticContact CD2-CZ 3.74Å; F103-F152 HydrophobicContact CD2-CZ 3.74Å; F103-F152 AromaticContact CE2-CE2 3.89Å; F103-F152 HydrophobicContact CE2-CE2 3.89Å; F103-F152 AromaticContact CE2-CZ 3.61Å; F103-F152 HydrophobicContact CE2-CZ 3.61Å; F103-F152 HydrophobicContact CZ-CE2 4.43Å; F103-F152 HydrophobicContact CZ-CZ 4.45Å
104D83.8Confident79.5Confident16 Ų1673.9 Ų73.99%0.08638%0.378CS..  trans-69.893.3176.3175.410.2000110.1F100 N106 G107 D108 G109 I111F100-D104 HydrophobicContact CD1-CB 4.4Å; F100-D104 HydrophobicContact CE1-CB 4.14Å; F100-D104 WeakPolarHBondContact O-CB 3.28Å; F100-D104 PolarHBondContact O-N 2.97Å; D104-N106 PolarHBondContact OD1-N 3.49Å; D104-N106 PolarHBondContact OD1-OD1 2.94Å; D104-N106 VanDerWaalsContact OD1-OD1 3.08Å; D104-G107 VanDerWaalsContact OD1-CA 3.32Å; D104-G107 WeakPolarHBondContact OD1-CA 3.21Å; D104-G107 PolarHBondContact OD1-N 3.48Å; D104-G107 VanDerWaalsContact OD2-C 3.26Å; D104-G107 VanDerWaalsContact OD2-CA 3.22Å; D104-G107 WeakPolarHBondContact OD2-CA 3.48Å; D104-D108 PolarHBondContact OD1-N 2.85Å; D104-D108 PolarHBondContact OD2-N 3.26Å; D104-G109 WeakPolarHBondContact OD2-CA 3.17Å; D104-G109 PolarHBondContact OD2-N 2.87Å; D104-I111 HydrophobicContact CB-CG1 4.44Å
105K78.5Confident80.6Confident123 Ų12366.9 Ų66.954%0.53535%0.345SS..SBendtrans-77.1-30.1-178.5-72.3-58.6-173.5-143.10111.7V102 F103 E115V102-K105 WeakPolarHBondContact O-CE 3.18Å; V102-K105 PolarHBondContact O-NZ 3.24Å; F103-K105 PolarHBondContact O-N 3.3Å; K105-E115 HydrophobicContact CB-CG 4.46Å; K105-E115 PolarHBondContact N-OE1 2.96Å
106N83.3Confident81.4Confident83 Ų8362 Ų6244%0.44432%0.322SS..SBendtrans-87.5-17.3-172.577.140.2000111.9D104 D108 E115D104-N106 PolarHBondContact OD1-N 3.49Å; D104-N106 PolarHBondContact OD1-OD1 2.94Å; D104-N106 VanDerWaalsContact OD1-OD1 3.08Å; N106-D108 PolarHBondContact ND2-OD2 3.4Å; N106-D108 VanDerWaalsContact ND2-OD2 3.17Å; N106-D108 WeakPolarHBondContact OD1-CA 3.47Å; N106-D108 WeakPolarHBondContact OD1-CB 3.24Å; N106-D108 PolarHBondContact OD1-N 2.81Å; N106-D108 PolarHBondContact OD1-OD1 2.92Å; N106-D108 VanDerWaalsContact OD1-OD1 3.11Å; N106-D108 PolarHBondContact OD1-OD2 2.77Å; N106-E115 WeakPolarHBondContact CB-OE1 2.91Å; N106-E115 VanDerWaalsContact CG-OE1 3.3Å; N106-E115 PolarHBondContact N-OE1 2.88Å; N106-E115 VanDerWaalsContact N-OE1 3.14Å; N106-E115 PolarHBondContact ND2-OE1 3.33Å
107G81.5Confident81.9Confident61 Ų6161.9 Ų61.963%0.62932%0.323SS*.  trans75.522.5177.700000114.2D104 G109D104-G107 VanDerWaalsContact OD1-CA 3.32Å; D104-G107 WeakPolarHBondContact OD1-CA 3.21Å; D104-G107 PolarHBondContact OD1-N 3.48Å; D104-G107 VanDerWaalsContact OD2-C 3.26Å; D104-G107 VanDerWaalsContact OD2-CA 3.22Å; D104-G107 WeakPolarHBondContact OD2-CA 3.48Å; G107-G109 VanDerWaalsContact C-N 3.31Å
108D85.1Confident82.2Confident80 Ų8065.4 Ų65.443%0.42834%0.337SS..SBendtrans-84.6-6.1-177.771.97.8000113.5D104 N106 Y110D104-D108 PolarHBondContact OD1-N 2.85Å; D104-D108 PolarHBondContact OD2-N 3.26Å; N106-D108 PolarHBondContact ND2-OD2 3.4Å; N106-D108 VanDerWaalsContact ND2-OD2 3.17Å; N106-D108 WeakPolarHBondContact OD1-CA 3.47Å; N106-D108 WeakPolarHBondContact OD1-CB 3.24Å; N106-D108 PolarHBondContact OD1-N 2.81Å; N106-D108 PolarHBondContact OD1-OD1 2.92Å; N106-D108 VanDerWaalsContact OD1-OD1 3.11Å; N106-D108 PolarHBondContact OD1-OD2 2.77Å; D108-Y110 WeakPolarHBondContact O-CD2 3.42Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.17Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.43Å; D108-Y110 PolarHBondContact OD1-N 3.47Å; D108-Y110 VanDerWaalsContact OD1-O 3.06Å
109G83.6Confident82.1Confident33 Ų3360.2 Ų60.234%0.3431%0.313SS..SBendtrans84.712-179.700000113.8F100 D104 G107F100-G109 VanDerWaalsContact CZ-O 3.27Å; F100-G109 WeakPolarHBondContact CZ-O 3.5Å; D104-G109 WeakPolarHBondContact OD2-CA 3.17Å; D104-G109 PolarHBondContact OD2-N 2.87Å; G107-G109 VanDerWaalsContact C-N 3.31Å
110Y87Confident82.1Confident98 Ų9859.3 Ų59.338%0.38431%0.306SS..  trans-130.9149176.7-61.1-88.8000109.5D108 M146 D148D108-Y110 WeakPolarHBondContact O-CD2 3.42Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.17Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.43Å; D108-Y110 PolarHBondContact OD1-N 3.47Å; D108-Y110 VanDerWaalsContact OD1-O 3.06Å; Y110-M146 HydrophobicContact CD1-CB 4.33Å; Y110-M146 HydrophobicContact CG-SD 4.43Å; Y110-D148 HydrophobicContact CD1-CB 3.96Å; Y110-D148 HydrophobicContact CE1-CB 3.86Å
111I86.8Confident82Confident0 Ų064.7 Ų64.70%033%0.326CS..BIsolated β-bridgetrans-104.8113.8171.7-58.7165.6000107.5F100 F103 D104 E115 F116 L147 F152F100-I111 HydrophobicContact CD2-CD1 3.38Å; F100-I111 HydrophobicContact CD2-CG1 3.99Å; F100-I111 HydrophobicContact CE2-CD1 3.42Å; F100-I111 VanDerWaalsContact CE2-CD1 3.42Å; F100-I111 HydrophobicContact CE2-CG1 3.61Å; F100-I111 HydrophobicContact CG-CD1 4.17Å; F100-I111 HydrophobicContact CZ-CD1 4.22Å; F100-I111 HydrophobicContact CZ-CG1 3.92Å; F103-I111 HydrophobicContact CB-CD1 3.43Å; F103-I111 VanDerWaalsContact CB-CD1 3.43Å; F103-I111 HydrophobicContact CB-CG1 3.75Å; F103-I111 HydrophobicContact CB-CG2 4.2Å; F103-I111 HydrophobicContact CD2-CD1 4.39Å; F103-I111 HydrophobicContact CG-CD1 4.02Å; D104-I111 HydrophobicContact CB-CG1 4.44Å; I111-E115 HydrophobicContact CG2-CB 4.1Å; I111-F116 HydrophobicContact CG2-CB 3.86Å; I111-F116 HydrophobicContact CG2-CD2 4.27Å; I111-L147 HydrophobicContact CB-CB 4.32Å; I111-L147 PolarHBondContact N-O 2.84Å; I111-L147 PolarHBondContact O-N 3.07Å; I111-F152 HydrophobicContact CD1-CD2 3.73Å; I111-F152 HydrophobicContact CD1-CE2 4.09Å; I111-F152 HydrophobicContact CD1-CG 4.22Å
112D86.6Confident81.4Confident44 Ų4460.5 Ų60.524%0.23533%0.325CS..  trans-82.4171174.277.137.6000112.5D114 E115 F116D112-D114 VanDerWaalsContact C-N 3.29Å; D112-D114 PolarHBondContact O-N 3.12Å; D112-D114 WeakPolarHBondContact OD1-CA 3.33Å; D112-D114 WeakPolarHBondContact OD1-CB 3.27Å; D112-D114 PolarHBondContact OD1-N 3.13Å; D112-E115 PolarHBondContact N-OE2 3.45Å; D112-E115 PolarHBondContact O-N 3.32Å; D112-E115 WeakPolarHBondContact OD1-CG 3.2Å; D112-E115 PolarHBondContact OD1-N 2.78Å; D112-F116 WeakPolarHBondContact O-CB 3.5Å; D112-F116 PolarHBondContact O-N 2.86Å
113R85.9Confident80.7Confident97 Ų9761 Ų6137%0.36633%0.332SS..Hα-helixtrans-56.3-42.4179.5-178.1-174.2-171.7-166.39.6113.1A117 D129 I132 D133 L136R113-A117 WeakPolarHBondContact O-CB 3.22Å; R113-A117 PolarHBondContact O-N 3.43Å; R113-D129 PolarHBondContact NH2-O 2.93Å; R113-D129 VanDerWaalsContact NH2-O 3.12Å; R113-I132 HydrophobicContact CG-CG2 3.8Å; R113-D133 IonicContact CZ-OD1 3.76Å; R113-D133 IonicContact CZ-OD2 2.81Å; R113-D133 IonicContact NE-OD1 3.74Å; R113-D133 PolarHBondContact NE-OD1 2.64Å; R113-D133 IonicContact NH1-OD1 3.06Å; R113-D133 IonicContact NH2-OD1 2.65Å; R113-D133 PolarHBondContact NH2-OD1 3.04Å; R113-D133 IonicContact NH2-OD2 2.62Å; R113-D133 PolarHBondContact NH2-OD2 3.38Å; R113-L136 HydrophobicContact CB-CD1 3.69Å; R113-L136 HydrophobicContact CG-CD1 3.64Å
114D84.9Confident80Confident125 Ų12563 Ų6367%0.66836%0.359SS*.Hα-helixtrans-72.5-38-174.9-70.8-34.8000110.3D112 L118D112-D114 VanDerWaalsContact C-N 3.29Å; D112-D114 PolarHBondContact O-N 3.12Å; D112-D114 WeakPolarHBondContact OD1-CA 3.33Å; D112-D114 WeakPolarHBondContact OD1-CB 3.27Å; D112-D114 PolarHBondContact OD1-N 3.13Å; D114-L118 VanDerWaalsContact O-CB 3.26Å; D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 3.24Å
115E86.6Confident79.3Confident14 Ų1467.8 Ų67.87%0.06538%0.381CS..Hα-helixtrans-64.1-47.9173.6-72.6175.9146.100111.8K105 N106 I111 D112 L118 I119K105-E115 HydrophobicContact CB-CG 4.46Å; K105-E115 PolarHBondContact N-OE1 2.96Å; N106-E115 WeakPolarHBondContact CB-OE1 2.91Å; N106-E115 VanDerWaalsContact CG-OE1 3.3Å; N106-E115 PolarHBondContact N-OE1 2.88Å; N106-E115 VanDerWaalsContact N-OE1 3.14Å; N106-E115 PolarHBondContact ND2-OE1 3.33Å; I111-E115 HydrophobicContact CG2-CB 4.1Å; D112-E115 PolarHBondContact N-OE2 3.45Å; D112-E115 PolarHBondContact O-N 3.32Å; D112-E115 WeakPolarHBondContact OD1-CG 3.2Å; D112-E115 PolarHBondContact OD1-N 2.78Å; E115-L118 PolarHBondContact O-N 3.28Å; E115-I119 PolarHBondContact O-N 3.21Å
116F81.8Confident78.8Confident4 Ų468.7 Ų68.72%0.01840%0.397CS..Hα-helixtrans-60.9-47175.9-168.5-104.7000111.7I111 D112 L118 I119 I120 I132 L135 L136 L147 M155I111-F116 HydrophobicContact CG2-CB 3.86Å; I111-F116 HydrophobicContact CG2-CD2 4.27Å; D112-F116 WeakPolarHBondContact O-CB 3.5Å; D112-F116 PolarHBondContact O-N 2.86Å; F116-L118 VanDerWaalsContact C-N 3.33Å; F116-L118 PolarHBondContact O-N 2.72Å; F116-I119 PolarHBondContact O-N 2.91Å; F116-I120 HydrophobicContact CD1-CD1 3.77Å; F116-I120 HydrophobicContact CE1-CD1 3.2Å; F116-I120 HydrophobicContact CE1-CG1 4.29Å; F116-I120 HydrophobicContact CE2-CD1 4.2Å; F116-I120 HydrophobicContact CG-CD1 4.48Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 HydrophobicContact CZ-CG1 4.42Å; F116-I120 PolarHBondContact O-N 3.17Å; F116-I120 VanDerWaalsContact O-N 3.08Å; F116-I132 HydrophobicContact CD1-CG2 4.19Å; F116-L135 HydrophobicContact CE1-CB 4.1Å; F116-L135 HydrophobicContact CE1-CD1 4.2Å; F116-L135 HydrophobicContact CZ-CB 4.43Å; F116-L136 HydrophobicContact CD1-CG 4.37Å; F116-L136 HydrophobicContact CG-CD2 4.48Å; F116-L147 HydrophobicContact CD2-CD1 4.35Å; F116-L147 HydrophobicContact CE2-CD1 4.33Å; F116-M155 HydrophobicContact CE2-CE 4.05Å; F116-M155 HydrophobicContact CZ-CE 3.77Å; F116-M155 HydrophobicContact CZ-SD 4.43Å
117A82.9Confident78.3Confident7 Ų766.2 Ų66.26%0.05838%0.383CS..Hα-helixtrans-61.3-39.9178.100000112.6R113 R121 I132R113-A117 WeakPolarHBondContact O-CB 3.22Å; R113-A117 PolarHBondContact O-N 3.43Å; A117-R121 WeakPolarHBondContact O-CB 3.02Å; A117-R121 WeakPolarHBondContact O-CD 3.44Å; A117-R121 WeakPolarHBondContact O-CG 3.45Å; A117-R121 PolarHBondContact O-N 3.06Å; A117-R121 VanDerWaalsContact O-N 3.12Å; A117-I132 HydrophobicContact CB-CD1 3.51Å; A117-I132 HydrophobicContact CB-CG1 4.39Å
118L80.3Confident78.3Confident104 Ų10466.7 Ų66.755%0.54537%0.374SS..Hα-helixtrans-64.4-43.9-179.3-175.768.8000111.4D114 E115 F116 S122D114-L118 VanDerWaalsContact O-CB 3.26Å; D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 3.24Å; E115-L118 PolarHBondContact O-N 3.28Å; F116-L118 VanDerWaalsContact C-N 3.33Å; F116-L118 PolarHBondContact O-N 2.72Å; L118-S122 WeakPolarHBondContact O-CB 3.38Å; L118-S122 PolarHBondContact O-N 3.32Å
119I74.8Confident78.2Confident28 Ų2866.9 Ų66.914%0.14438%0.375CS..Hα-helixtrans-73.4-43-178.5-60.6-60.5000111.9V102 F103 E115 F116 R121 S122 S123V102-I119 HydrophobicContact CG1-CD1 4.27Å; F103-I119 HydrophobicContact CD1-CB 3.44Å; F103-I119 VanDerWaalsContact CD1-CB 3.44Å; F103-I119 HydrophobicContact CD1-CG1 3.54Å; F103-I119 HydrophobicContact CD1-CG2 3.53Å; F103-I119 HydrophobicContact CE1-CB 3.44Å; F103-I119 VanDerWaalsContact CE1-CB 3.44Å; F103-I119 HydrophobicContact CE1-CG1 4.05Å; F103-I119 HydrophobicContact CE1-CG2 3.1Å; F103-I119 HydrophobicContact CG-CG1 4.24Å; F103-I119 HydrophobicContact CG-CG2 4.44Å; F103-I119 HydrophobicContact CZ-CB 4.45Å; F103-I119 HydrophobicContact CZ-CG2 3.67Å; E115-I119 PolarHBondContact O-N 3.21Å; F116-I119 PolarHBondContact O-N 2.91Å; I119-R121 VanDerWaalsContact C-N 3.27Å; I119-R121 PolarHBondContact O-N 2.77Å; I119-S122 CarbonylContact O-C 3.43Å; I119-S122 WeakPolarHBondContact O-CA 3.43Å; I119-S122 WeakPolarHBondContact O-CB 3.46Å; I119-S122 PolarHBondContact O-N 2.7Å; I119-S123 PolarHBondContact O-N 3.21Å
120I74.1Confident78.2Confident19 Ų1971.2 Ų71.210%0.09739%0.39CS..Hα-helixtrans-58.8-43.5177.1-73.8-170000110.8F116 S122 S123 E125 I127 L135F116-I120 HydrophobicContact CD1-CD1 3.77Å; F116-I120 HydrophobicContact CE1-CD1 3.2Å; F116-I120 HydrophobicContact CE1-CG1 4.29Å; F116-I120 HydrophobicContact CE2-CD1 4.2Å; F116-I120 HydrophobicContact CG-CD1 4.48Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 HydrophobicContact CZ-CG1 4.42Å; F116-I120 PolarHBondContact O-N 3.17Å; F116-I120 VanDerWaalsContact O-N 3.08Å; I120-S122 VanDerWaalsContact C-N 3.27Å; I120-S122 PolarHBondContact O-N 3.08Å; I120-S123 WeakPolarHBondContact O-CB 3.27Å; I120-S123 PolarHBondContact O-N 3.29Å; I120-S123 VanDerWaalsContact O-N 3.15Å; I120-E125 HydrophobicContact CG2-CB 4.41Å; I120-I127 HydrophobicContact CD1-CD1 4.22Å; I120-I127 HydrophobicContact CG2-CB 3.71Å; I120-I127 HydrophobicContact CG2-CD1 3.63Å; I120-I127 HydrophobicContact CG2-CG1 4.09Å; I120-I127 HydrophobicContact CG2-CG2 4.09Å; I120-L135 HydrophobicContact CD1-CD1 4.4Å
121R76.4Confident78Confident130 Ų13071 Ų7149%0.49139%0.393SS..Hα-helixtrans-64.7-32.9174.2-71.3172.9177.1171.13.3112.4A117 I119 G124 D129A117-R121 WeakPolarHBondContact O-CB 3.02Å; A117-R121 WeakPolarHBondContact O-CD 3.44Å; A117-R121 WeakPolarHBondContact O-CG 3.45Å; A117-R121 PolarHBondContact O-N 3.06Å; A117-R121 VanDerWaalsContact O-N 3.12Å; I119-R121 VanDerWaalsContact C-N 3.27Å; I119-R121 PolarHBondContact O-N 2.77Å; R121-G124 PolarHBondContact O-N 3.21Å; R121-D129 IonicContact CZ-OD1 2.61Å; R121-D129 IonicContact NH2-OD1 2.79Å; R121-D129 PolarHBondContact NH2-OD1 2.76Å
122S68.1Low77.6Confident99 Ų9971 Ų7169%0.69239%0.393SS*.Hα-helixtrans-73.7-24.4174.8-170.40000113.3L118 I119 I120 G124L118-S122 WeakPolarHBondContact O-CB 3.38Å; L118-S122 PolarHBondContact O-N 3.32Å; I119-S122 CarbonylContact O-C 3.43Å; I119-S122 WeakPolarHBondContact O-CA 3.43Å; I119-S122 WeakPolarHBondContact O-CB 3.46Å; I119-S122 PolarHBondContact O-N 2.7Å; I120-S122 VanDerWaalsContact C-N 3.27Å; I120-S122 PolarHBondContact O-N 3.08Å; S122-G124 PolarHBondContact O-N 3.11Å
123S65.4Low77.5Confident92 Ų9271.2 Ų71.264%0.64339%0.394SS*.Hα-helixtrans-70.4-14.2175.2-166.30000112.3I119 I120I119-S123 PolarHBondContact O-N 3.21Å; I120-S123 WeakPolarHBondContact O-CB 3.27Å; I120-S123 PolarHBondContact O-N 3.29Å; I120-S123 VanDerWaalsContact O-N 3.15Å
124G64Low77.3Confident65 Ų6572.2 Ų72.267%0.6740%0.403SS*.THydrogen-bonded Turntrans953179.400000113.9R121 S122R121-G124 PolarHBondContact O-N 3.21Å; S122-G124 PolarHBondContact O-N 3.11Å
125E67.5Low77Confident118 Ų11869.3 Ų69.355%0.55139%0.387SS*.  trans-85135.4173.9-65.8-167.915500111.4I120 I127I120-E125 HydrophobicContact CG2-CB 4.41Å; E125-I127 PolarHBondContact O-N 3.14Å
126T67.6Low76.8Confident141 Ų14169.3 Ų69.387%0.86539%0.388SS*.  trans-91.481175.554.70000109.7
127I73.4Confident76.9Confident31 Ų3175.6 Ų75.616%0.15942%0.415CS..  trans-96.3140.5174.8-89176.6000110.4I120 E125 E131 I132 L135I120-I127 HydrophobicContact CD1-CD1 4.22Å; I120-I127 HydrophobicContact CG2-CB 3.71Å; I120-I127 HydrophobicContact CG2-CD1 3.63Å; I120-I127 HydrophobicContact CG2-CG1 4.09Å; I120-I127 HydrophobicContact CG2-CG2 4.09Å; E125-I127 PolarHBondContact O-N 3.14Å; I127-E131 HydrophobicContact CG2-CB 3.97Å; I127-I132 HydrophobicContact CG2-CD1 3.88Å; I127-I132 HydrophobicContact CG2-CG1 3.49Å; I127-I132 VanDerWaalsContact CG2-CG1 3.49Å; I127-L135 HydrophobicContact CD1-CD1 4.12Å
128T82.8Confident76.8Confident71 Ų7180.6 Ų80.644%0.43644%0.441SS..  trans-86.3159.1178.759.30000112.4D130 E131 I132T128-D130 PolarHBondContact O-N 3.04Å; T128-E131 PolarHBondContact N-OE2 2.86Å; T128-E131 PolarHBondContact O-N 2.82Å; T128-E131 VanDerWaalsContact O-N 3.12Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 3.33Å; T128-E131 PolarHBondContact OG1-OE2 2.94Å; T128-I132 PolarHBondContact O-N 2.86Å
129D82.3Confident76.7Confident84 Ų8475.8 Ų75.845%0.44942%0.416SS..Hα-helixtrans-60-29.9178.5-67.9-17.6000112.5R113 R121 D133R113-D129 PolarHBondContact NH2-O 2.93Å; R113-D129 VanDerWaalsContact NH2-O 3.12Å; R121-D129 IonicContact CZ-OD1 2.61Å; R121-D129 IonicContact NH2-OD1 2.79Å; R121-D129 PolarHBondContact NH2-OD1 2.76Å; D129-D133 PolarHBondContact O-N 3.48Å
130D84Confident77.3Confident124 Ų12475.5 Ų75.566%0.66342%0.415SS*.Hα-helixtrans-71.8-39.3176-66.9-44.8000111.6T128 D133 E134T128-D130 PolarHBondContact O-N 3.04Å; D130-D133 PolarHBondContact O-N 3.5Å; D130-E134 WeakPolarHBondContact O-CG 3.43Å; D130-E134 PolarHBondContact O-N 2.88Å
131E81.3Confident77.6Confident93 Ų9380.8 Ų80.844%0.43544%0.437SS..Hα-helixtrans-68.1-36.7175.6-75168.2135.200111.8I127 T128 D133 E134 L135I127-E131 HydrophobicContact CG2-CB 3.97Å; T128-E131 PolarHBondContact N-OE2 2.86Å; T128-E131 PolarHBondContact O-N 2.82Å; T128-E131 VanDerWaalsContact O-N 3.12Å; T128-E131 WeakPolarHBondContact OG1-CG 3.4Å; T128-E131 PolarHBondContact OG1-N 3.33Å; T128-E131 PolarHBondContact OG1-OE2 2.94Å; E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.32Å; E131-E134 PolarHBondContact O-N 3.43Å; E131-L135 WeakPolarHBondContact O-CB 3.21Å; E131-L135 VanDerWaalsContact O-CG 3.27Å; E131-L135 WeakPolarHBondContact O-CG 3.46Å; E131-L135 PolarHBondContact O-N 3.12Å
132I80.3Confident78Confident1 Ų178.2 Ų78.21%0.00543%0.433CS..Hα-helixtrans-60.1-44.6172-73.6153.5000110.7R113 F116 A117 I127 T128 E134 L135 L136R113-I132 HydrophobicContact CG-CG2 3.8Å; F116-I132 HydrophobicContact CD1-CG2 4.19Å; A117-I132 HydrophobicContact CB-CD1 3.51Å; A117-I132 HydrophobicContact CB-CG1 4.39Å; I127-I132 HydrophobicContact CG2-CD1 3.88Å; I127-I132 HydrophobicContact CG2-CG1 3.49Å; I127-I132 VanDerWaalsContact CG2-CG1 3.49Å; T128-I132 PolarHBondContact O-N 2.86Å; I132-E134 VanDerWaalsContact C-N 3.33Å; I132-E134 PolarHBondContact O-N 3.19Å; I132-L135 PolarHBondContact O-N 2.97Å; I132-L136 HydrophobicContact CG2-CD1 3.58Å; I132-L136 HydrophobicContact CG2-CG 4.39Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 WeakPolarHBondContact O-CG 3.37Å; I132-L136 PolarHBondContact O-N 2.79Å
133D82.5Confident78.7Confident48 Ų4878.4 Ų78.426%0.25744%0.435SS..Hα-helixtrans-65.5-35.9179.3-76.9-15.9000112.3R113 D129 D130 E131 K137R113-D133 IonicContact CZ-OD1 3.76Å; R113-D133 IonicContact CZ-OD2 2.81Å; R113-D133 IonicContact NE-OD1 3.74Å; R113-D133 PolarHBondContact NE-OD1 2.64Å; R113-D133 IonicContact NH1-OD1 3.06Å; R113-D133 IonicContact NH2-OD1 2.65Å; R113-D133 PolarHBondContact NH2-OD1 3.04Å; R113-D133 IonicContact NH2-OD2 2.62Å; R113-D133 PolarHBondContact NH2-OD2 3.38Å; D129-D133 PolarHBondContact O-N 3.48Å; D130-D133 PolarHBondContact O-N 3.5Å; E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.32Å; D133-K137 WeakPolarHBondContact O-CB 3.35Å; D133-K137 WeakPolarHBondContact O-CG 3.49Å; D133-K137 PolarHBondContact O-N 3.46Å
134E82.9Confident79.6Confident119 Ų11977.7 Ų77.756%0.55642%0.424SS*.Hα-helixtrans-72.7-39.1176.1-67.2-65113.100112.1D130 E131 I132 K137 D138D130-E134 WeakPolarHBondContact O-CG 3.43Å; D130-E134 PolarHBondContact O-N 2.88Å; E131-E134 PolarHBondContact O-N 3.43Å; I132-E134 VanDerWaalsContact C-N 3.33Å; I132-E134 PolarHBondContact O-N 3.19Å; E134-K137 PolarHBondContact O-N 3.06Å; E134-K137 IonicContact OE1-NZ 2.64Å; E134-K137 PolarHBondContact OE1-NZ 3.09Å; E134-D138 WeakPolarHBondContact O-CB 3.43Å; E134-D138 PolarHBondContact O-N 2.95Å
135L79Confident80.4Confident64 Ų6476.8 Ų76.834%0.33541%0.414SS..Hα-helixtrans-65.5-43.8175.2-72.6171.3000112F116 I120 I127 E131 I132 D138 G139F116-L135 HydrophobicContact CE1-CB 4.1Å; F116-L135 HydrophobicContact CE1-CD1 4.2Å; F116-L135 HydrophobicContact CZ-CB 4.43Å; I120-L135 HydrophobicContact CD1-CD1 4.4Å; I127-L135 HydrophobicContact CD1-CD1 4.12Å; E131-L135 WeakPolarHBondContact O-CB 3.21Å; E131-L135 VanDerWaalsContact O-CG 3.27Å; E131-L135 WeakPolarHBondContact O-CG 3.46Å; E131-L135 PolarHBondContact O-N 3.12Å; I132-L135 PolarHBondContact O-N 2.97Å; L135-D138 PolarHBondContact O-N 3.3Å; L135-G139 PolarHBondContact O-N 3.33Å; L135-G139 VanDerWaalsContact O-N 3.09Å
136L81.2Confident81.2Confident14 Ų1474.6 Ų74.67%0.07341%0.405CS..Hα-helixtrans-62.4-46.4175.6-79162.6000111.1R113 F116 I132 D138 G139 D140 L147R113-L136 HydrophobicContact CB-CD1 3.69Å; R113-L136 HydrophobicContact CG-CD1 3.64Å; F116-L136 HydrophobicContact CD1-CG 4.37Å; F116-L136 HydrophobicContact CG-CD2 4.48Å; I132-L136 HydrophobicContact CG2-CD1 3.58Å; I132-L136 HydrophobicContact CG2-CG 4.39Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 WeakPolarHBondContact O-CG 3.37Å; I132-L136 PolarHBondContact O-N 2.79Å; L136-D138 PolarHBondContact O-N 3.06Å; L136-G139 PolarHBondContact O-N 2.91Å; L136-D140 WeakPolarHBondContact O-CB 3.49Å; L136-D140 PolarHBondContact O-N 3.28Å; L136-L147 HydrophobicContact CD2-CD1 3.73Å; L136-L147 HydrophobicContact CD2-CG 3.8Å
137K83.4Confident82.1Confident135 Ų13567.9 Ų67.959%0.58736%0.364SS*.Hα-helixtrans-62-31.4176.7-77.7174.1-161.6158.20113.6D133 E134D133-K137 WeakPolarHBondContact O-CB 3.35Å; D133-K137 WeakPolarHBondContact O-CG 3.49Å; D133-K137 PolarHBondContact O-N 3.46Å; E134-K137 PolarHBondContact O-N 3.06Å; E134-K137 IonicContact OE1-NZ 2.64Å; E134-K137 PolarHBondContact OE1-NZ 3.09Å
138D82Confident82.8Confident113 Ų11368.3 Ų68.360%0.60437%0.366SS*.Hα-helixtrans-74.7-36.3179.7-162.751.1000111.4E134 L135 L136 K141E134-D138 WeakPolarHBondContact O-CB 3.43Å; E134-D138 PolarHBondContact O-N 2.95Å; L135-D138 PolarHBondContact O-N 3.3Å; L136-D138 PolarHBondContact O-N 3.06Å; D138-K141 PolarHBondContact O-NZ 3.38Å
139G78.8Confident82.8Confident3 Ų367.7 Ų67.73%0.03136%0.357CS..Hα-helixtrans-78.6-4117600000114.7L135 L136 K141 L147L135-G139 PolarHBondContact O-N 3.33Å; L135-G139 VanDerWaalsContact O-N 3.09Å; L136-G139 PolarHBondContact O-N 2.91Å; G139-K141 PolarHBondContact O-N 3.03Å; G139-L147 VanDerWaalsContact C-CD2 3.44Å
140D85.6Confident82.8Confident21 Ų2167.7 Ų67.711%0.11236%0.357CS..  trans-71.195-176.9176.86.2000110.7L136 N142 S143 D144 G145 L147L136-D140 WeakPolarHBondContact O-CB 3.49Å; L136-D140 PolarHBondContact O-N 3.28Å; D140-N142 PolarHBondContact OD1-N 3.47Å; D140-N142 PolarHBondContact OD1-OD1 2.83Å; D140-N142 VanDerWaalsContact OD1-OD1 3.07Å; D140-S143 WeakPolarHBondContact OD1-CA 3.36Å; D140-S143 PolarHBondContact OD1-N 3.1Å; D140-S143 VanDerWaalsContact OD2-CA 3.29Å; D140-S143 WeakPolarHBondContact OD2-CA 3.41Å; D140-D144 PolarHBondContact OD1-N 3.44Å; D140-D144 PolarHBondContact OD2-N 3.32Å; D140-G145 VanDerWaalsContact OD2-CA 3.3Å; D140-G145 WeakPolarHBondContact OD2-CA 3.43Å; D140-G145 PolarHBondContact OD2-N 2.86Å; D140-L147 HydrophobicContact CB-CD2 4.28Å
141K82.3Confident82.9Confident131 Ų13162.1 Ų62.157%0.5733%0.327SS*.SBendtrans-84-27.6-178.6-64.1-48.9-174.8-155.90111.7D138 G139 E151D138-K141 PolarHBondContact O-NZ 3.38Å; G139-K141 PolarHBondContact O-N 3.03Å; K141-E151 HydrophobicContact CB-CG 4.48Å; K141-E151 PolarHBondContact N-OE1 3.05Å
142N83.8Confident82.9Confident76 Ų7657.7 Ų57.741%0.40631%0.307SS..SBendtrans-88.6-9.7-176.476.828.1000112.5D140 D144 E151D140-N142 PolarHBondContact OD1-N 3.47Å; D140-N142 PolarHBondContact OD1-OD1 2.83Å; D140-N142 VanDerWaalsContact OD1-OD1 3.07Å; N142-D144 VanDerWaalsContact C-N 3.32Å; N142-D144 PolarHBondContact ND2-OD2 2.79Å; N142-D144 WeakPolarHBondContact OD1-CB 3.44Å; N142-D144 PolarHBondContact OD1-N 2.75Å; N142-D144 PolarHBondContact OD1-OD1 2.84Å; N142-D144 PolarHBondContact OD1-OD2 3.09Å; N142-D144 VanDerWaalsContact OD1-OD2 3.14Å; N142-E151 WeakPolarHBondContact CB-OE1 3.09Å; N142-E151 VanDerWaalsContact CG-OE1 3.22Å; N142-E151 PolarHBondContact N-OE1 2.75Å; N142-E151 PolarHBondContact ND2-OE1 3.16Å
143S82.5Confident82.7Confident103 Ų10359 Ų5972%0.7231%0.314SS*.  trans58.933.1-177.7-57.30000114.5D140 G145D140-S143 WeakPolarHBondContact OD1-CA 3.36Å; D140-S143 PolarHBondContact OD1-N 3.1Å; D140-S143 VanDerWaalsContact OD2-CA 3.29Å; D140-S143 WeakPolarHBondContact OD2-CA 3.41Å; S143-G145 VanDerWaalsContact C-N 3.33Å
144D83.7Confident82.4Confident77 Ų7760.8 Ų60.841%0.41232%0.319SS..SBendtrans-85.3-7.7175.772.813.8000113.3D140 N142 M146D140-D144 PolarHBondContact OD1-N 3.44Å; D140-D144 PolarHBondContact OD2-N 3.32Å; N142-D144 VanDerWaalsContact C-N 3.32Å; N142-D144 PolarHBondContact ND2-OD2 2.79Å; N142-D144 WeakPolarHBondContact OD1-CB 3.44Å; N142-D144 PolarHBondContact OD1-N 2.75Å; N142-D144 PolarHBondContact OD1-OD1 2.84Å; N142-D144 PolarHBondContact OD1-OD2 3.09Å; N142-D144 VanDerWaalsContact OD1-OD2 3.14Å; D144-M146 VanDerWaalsContact C-N 3.3Å; D144-M146 WeakPolarHBondContact OD1-CA 3.38Å; D144-M146 WeakPolarHBondContact OD1-CB 3.38Å; D144-M146 PolarHBondContact OD1-N 3.38Å
145G80.7Confident82.1Confident45 Ų4556.2 Ų56.246%0.46430%0.298SS..SBendtrans79.710.6179.800000114.1D140 S143D140-G145 VanDerWaalsContact OD2-CA 3.3Å; D140-G145 WeakPolarHBondContact OD2-CA 3.43Å; D140-G145 PolarHBondContact OD2-N 2.86Å; S143-G145 VanDerWaalsContact C-N 3.33Å
146M84.8Confident81.6Confident73 Ų7355.3 Ų55.336%0.3629%0.292SS..SBendtrans-127.5162.1176.2-59.3178.9172.400108.8Y110 D144Y110-M146 HydrophobicContact CD1-CB 4.33Å; Y110-M146 HydrophobicContact CG-SD 4.43Å; D144-M146 VanDerWaalsContact C-N 3.3Å; D144-M146 WeakPolarHBondContact OD1-CA 3.38Å; D144-M146 WeakPolarHBondContact OD1-CB 3.38Å; D144-M146 PolarHBondContact OD1-N 3.38Å
147L87Confident80.8Confident0 Ų060.5 Ų60.50%032%0.317CS..BIsolated β-bridgetrans-107116.5171.2-68.1172.4000109.2I111 F116 L136 G139 D140 E151 M155I111-L147 HydrophobicContact CB-CB 4.32Å; I111-L147 PolarHBondContact N-O 2.84Å; I111-L147 PolarHBondContact O-N 3.07Å; F116-L147 HydrophobicContact CD2-CD1 4.35Å; F116-L147 HydrophobicContact CE2-CD1 4.33Å; L136-L147 HydrophobicContact CD2-CD1 3.73Å; L136-L147 HydrophobicContact CD2-CG 3.8Å; G139-L147 VanDerWaalsContact C-CD2 3.44Å; D140-L147 HydrophobicContact CB-CD2 4.28Å; L147-E151 HydrophobicContact CD2-CB 4.05Å; L147-M155 HydrophobicContact CD1-SD 4.15Å
148D87.9Confident79.5Confident39 Ų3960.3 Ų60.321%0.20932%0.322CS..  trans-77173.416774.139.6000111.6Y110 D150 E151 F152Y110-D148 HydrophobicContact CD1-CB 3.96Å; Y110-D148 HydrophobicContact CE1-CB 3.86Å; D148-D150 VanDerWaalsContact C-N 3.31Å; D148-D150 PolarHBondContact O-N 3.05Å; D148-D150 WeakPolarHBondContact OD1-CA 3.49Å; D148-D150 WeakPolarHBondContact OD1-CB 3.36Å; D148-D150 PolarHBondContact OD1-N 2.89Å; D148-E151 PolarHBondContact N-OE2 2.84Å; D148-E151 VanDerWaalsContact N-OE2 3.09Å; D148-E151 PolarHBondContact O-N 3.38Å; D148-E151 WeakPolarHBondContact OD1-CG 3.09Å; D148-E151 PolarHBondContact OD1-N 3.3Å; D148-F152 WeakPolarHBondContact O-CB 3.41Å; D148-F152 PolarHBondContact O-N 2.9Å
149F82.8Confident78.1Confident58 Ų5860 Ų6025%0.25432%0.324SS..Hα-helixtrans-60.1-39.2-179.1-174.9-114.7000112.8E93 A97 F100 F152 L153E93-F149 HydrophobicContact CG-CE1 4.2Å; E93-F149 HydrophobicContact CG-CZ 3.99Å; A97-F149 HydrophobicContact CB-CE2 3.97Å; A97-F149 HydrophobicContact CB-CZ 4.02Å; F100-F149 HydrophobicContact CB-CD2 3.99Å; F100-F149 HydrophobicContact CB-CE2 4.19Å; F100-F149 HydrophobicContact CD1-CD2 4.27Å; F100-F149 AromaticContact CD2-CD2 3.9Å; F100-F149 HydrophobicContact CD2-CD2 3.9Å; F100-F149 HydrophobicContact CE2-CB 4.29Å; F100-F149 HydrophobicContact CE2-CD2 4.5Å; F100-F149 AromaticContact CG-CD2 3.78Å; F100-F149 HydrophobicContact CG-CD2 3.78Å; F100-F149 HydrophobicContact CG-CE2 4.47Å; F100-F149 HydrophobicContact CZ-CB 4.39Å; F149-F152 PolarHBondContact O-N 3.27Å; F149-L153 HydrophobicContact CD1-CD1 3.9Å; F149-L153 HydrophobicContact CD1-CG 4.37Å; F149-L153 HydrophobicContact CE1-CD1 3.56Å; F149-L153 HydrophobicContact CE1-CD2 4.46Å; F149-L153 HydrophobicContact CE1-CG 4.11Å; F149-L153 HydrophobicContact CE2-CD2 4.31Å; F149-L153 HydrophobicContact CE2-CG 4.33Å; F149-L153 HydrophobicContact CZ-CD1 3.97Å; F149-L153 HydrophobicContact CZ-CD2 4.02Å; F149-L153 HydrophobicContact CZ-CG 4.09Å; F149-L153 WeakPolarHBondContact O-CB 3.36Å; F149-L153 WeakPolarHBondContact O-CG 3.38Å; F149-L153 PolarHBondContact O-N 2.78Å
150D82.9Confident76.2Confident85 Ų8568.3 Ų68.346%0.45536%0.362SS..Hα-helixtrans-71.4-37.1-178.6-173.279.3000111.4D148 K154D148-D150 VanDerWaalsContact C-N 3.31Å; D148-D150 PolarHBondContact O-N 3.05Å; D148-D150 WeakPolarHBondContact OD1-CA 3.49Å; D148-D150 WeakPolarHBondContact OD1-CB 3.36Å; D148-D150 PolarHBondContact OD1-N 2.89Å; D150-K154 WeakPolarHBondContact O-CG 3.18Å; D150-K154 PolarHBondContact O-N 3.39Å; D150-K154 WeakPolarHBondContact OD2-CE 3.37Å; D150-K154 IonicContact OD2-NZ 2.72Å; D150-K154 PolarHBondContact OD2-NZ 3.14Å
151E86.1Confident75.8Confident6 Ų670.7 Ų70.73%0.02837%0.374CS..Hα-helixtrans-68.5-42.1174-70.2172.714800111.8K141 N142 L147 D148 K154 M155K141-E151 HydrophobicContact CB-CG 4.48Å; K141-E151 PolarHBondContact N-OE1 3.05Å; N142-E151 WeakPolarHBondContact CB-OE1 3.09Å; N142-E151 VanDerWaalsContact CG-OE1 3.22Å; N142-E151 PolarHBondContact N-OE1 2.75Å; N142-E151 PolarHBondContact ND2-OE1 3.16Å; L147-E151 HydrophobicContact CD2-CB 4.05Å; D148-E151 PolarHBondContact N-OE2 2.84Å; D148-E151 VanDerWaalsContact N-OE2 3.09Å; D148-E151 PolarHBondContact O-N 3.38Å; D148-E151 WeakPolarHBondContact OD1-CG 3.09Å; D148-E151 PolarHBondContact OD1-N 3.3Å; E151-K154 PolarHBondContact O-N 3.28Å; E151-M155 WeakPolarHBondContact O-CB 3.3Å; E151-M155 PolarHBondContact O-N 2.81Å
152F79.9Confident75.4Confident0 Ų067.5 Ų67.50%036%0.364CS..Hα-helixtrans-63.4-42.7174.2179.8-97.5000112.2L96 C99 F100 F103 I111 D148 F149 M155 M156L96-F152 HydrophobicContact CD2-CE1 4.02Å; C99-F152 HydrophobicContact CB-CE1 4.32Å; C99-F152 HydrophobicContact CB-CZ 4.26Å; F100-F152 HydrophobicContact CB-CD1 4.37Å; F100-F152 HydrophobicContact CB-CE1 4.4Å; F100-F152 HydrophobicContact CD2-CB 3.88Å; F100-F152 AromaticContact CD2-CD1 3.92Å; F100-F152 HydrophobicContact CD2-CD1 3.92Å; F100-F152 AromaticContact CD2-CG 3.85Å; F100-F152 HydrophobicContact CD2-CG 3.85Å; F100-F152 HydrophobicContact CE2-CB 4.07Å; F100-F152 HydrophobicContact CE2-CG 4.46Å; F103-F152 AromaticContact CD2-CE2 3.88Å; F103-F152 HydrophobicContact CD2-CE2 3.88Å; F103-F152 AromaticContact CD2-CZ 3.74Å; F103-F152 HydrophobicContact CD2-CZ 3.74Å; F103-F152 AromaticContact CE2-CE2 3.89Å; F103-F152 HydrophobicContact CE2-CE2 3.89Å; F103-F152 AromaticContact CE2-CZ 3.61Å; F103-F152 HydrophobicContact CE2-CZ 3.61Å; F103-F152 HydrophobicContact CZ-CE2 4.43Å; F103-F152 HydrophobicContact CZ-CZ 4.45Å; I111-F152 HydrophobicContact CD1-CD2 3.73Å; I111-F152 HydrophobicContact CD1-CE2 4.09Å; I111-F152 HydrophobicContact CD1-CG 4.22Å; D148-F152 WeakPolarHBondContact O-CB 3.41Å; D148-F152 PolarHBondContact O-N 2.9Å; F149-F152 PolarHBondContact O-N 3.27Å; F152-M155 PolarHBondContact O-N 2.84Å; F152-M156 HydrophobicContact CD1-CG 4.37Å; F152-M156 HydrophobicContact CE1-CG 3.98Å; F152-M156 HydrophobicContact CE2-CE 3.66Å; F152-M156 HydrophobicContact CE2-CG 4.33Å; F152-M156 HydrophobicContact CZ-CE 3.62Å; F152-M156 HydrophobicContact CZ-CG 3.96Å; F152-M156 HydrophobicContact CZ-SD 4.43Å; F152-M156 WeakPolarHBondContact O-CG 3.47Å; F152-M156 PolarHBondContact O-N 3.17Å
153L77.3Confident74.9Confident30 Ų3067 Ų6716%0.15736%0.362CS..Hα-helixtrans-57.9-52.3174.5-76.4178.2000110.8L96 F149 M155 M156 E157L96-L153 HydrophobicContact CB-CD2 3.57Å; L96-L153 HydrophobicContact CD1-CD2 3.25Å; L96-L153 HydrophobicContact CG-CD2 3.97Å; F149-L153 HydrophobicContact CD1-CD1 3.9Å; F149-L153 HydrophobicContact CD1-CG 4.37Å; F149-L153 HydrophobicContact CE1-CD1 3.56Å; F149-L153 HydrophobicContact CE1-CD2 4.46Å; F149-L153 HydrophobicContact CE1-CG 4.11Å; F149-L153 HydrophobicContact CE2-CD2 4.31Å; F149-L153 HydrophobicContact CE2-CG 4.33Å; F149-L153 HydrophobicContact CZ-CD1 3.97Å; F149-L153 HydrophobicContact CZ-CD2 4.02Å; F149-L153 HydrophobicContact CZ-CG 4.09Å; F149-L153 WeakPolarHBondContact O-CB 3.36Å; F149-L153 WeakPolarHBondContact O-CG 3.38Å; F149-L153 PolarHBondContact O-N 2.78Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 2.94Å; L153-M156 PolarHBondContact O-N 3.36Å; L153-M156 VanDerWaalsContact O-N 3.1Å; L153-E157 WeakPolarHBondContact O-CG 3.29Å; L153-E157 PolarHBondContact O-N 3.37Å
154K76.8Confident74.5Confident85 Ų8564.9 Ų64.937%0.3734%0.34SS..Hα-helixtrans-61.6-35.9178.4-76.7169.9-179156.20112.6D150 E151 N158D150-K154 WeakPolarHBondContact O-CG 3.18Å; D150-K154 PolarHBondContact O-N 3.39Å; D150-K154 WeakPolarHBondContact OD2-CE 3.37Å; D150-K154 IonicContact OD2-NZ 2.72Å; D150-K154 PolarHBondContact OD2-NZ 3.14Å; E151-K154 PolarHBondContact O-N 3.28Å; K154-N158 WeakPolarHBondContact O-CB 3.14Å; K154-N158 PolarHBondContact O-N 2.93Å; K154-N158 VanDerWaalsContact O-N 3.16Å; K154-N158 PolarHBondContact O-ND2 2.8Å
155M75.1Confident73.9Confident22 Ų2264.1 Ų64.111%0.10834%0.336CS..Hα-helixtrans-65.1-43.5175.7-164.3-168.3116.400110.5F116 L147 E151 F152 L153 N158 V159F116-M155 HydrophobicContact CE2-CE 4.05Å; F116-M155 HydrophobicContact CZ-CE 3.77Å; F116-M155 HydrophobicContact CZ-SD 4.43Å; L147-M155 HydrophobicContact CD1-SD 4.15Å; E151-M155 WeakPolarHBondContact O-CB 3.3Å; E151-M155 PolarHBondContact O-N 2.81Å; F152-M155 PolarHBondContact O-N 2.84Å; L153-M155 VanDerWaalsContact C-N 3.27Å; L153-M155 PolarHBondContact O-N 2.94Å; M155-N158 PolarHBondContact O-N 2.88Å; M155-V159 WeakPolarHBondContact O-CG2 3.4Å; M155-V159 PolarHBondContact O-N 3.07Å
156M69.9Low73.5Confident45 Ų4565.4 Ų65.422%0.22233%0.327CS..Hα-helixtrans-70.3-34.5177.9-73.4-77.5161.800113.1L96 F152 L153 N158 V159L96-M156 HydrophobicContact CD2-CB 3.74Å; L96-M156 HydrophobicContact CD2-CG 3.73Å; L96-M156 HydrophobicContact CD2-SD 4.43Å; F152-M156 HydrophobicContact CD1-CG 4.37Å; F152-M156 HydrophobicContact CE1-CG 3.98Å; F152-M156 HydrophobicContact CE2-CE 3.66Å; F152-M156 HydrophobicContact CE2-CG 4.33Å; F152-M156 HydrophobicContact CZ-CE 3.62Å; F152-M156 HydrophobicContact CZ-CG 3.96Å; F152-M156 HydrophobicContact CZ-SD 4.43Å; F152-M156 WeakPolarHBondContact O-CG 3.47Å; F152-M156 PolarHBondContact O-N 3.17Å; L153-M156 PolarHBondContact O-N 3.36Å; L153-M156 VanDerWaalsContact O-N 3.1Å; M156-N158 VanDerWaalsContact C-N 3.33Å; M156-V159 PolarHBondContact O-N 2.68Å
157E64.6Low72.7Confident124 Ų12464.9 Ų64.958%0.57933%0.325SS*.Hα-helixtrans-65.3-33.4173-77.2-175.6119.200112.3L153 V159L153-E157 WeakPolarHBondContact O-CG 3.29Å; L153-E157 PolarHBondContact O-N 3.37Å; E157-V159 VanDerWaalsContact C-N 3.34Å
158N55.3Low71.6Confident130 Ų13069.8 Ų69.870%0.69535%0.35SS*.THydrogen-bonded Turntrans-86.4-0.7-179.2-73-59000114.2K154 M155 M156K154-N158 WeakPolarHBondContact O-CB 3.14Å; K154-N158 PolarHBondContact O-N 2.93Å; K154-N158 VanDerWaalsContact O-N 3.16Å; K154-N158 PolarHBondContact O-ND2 2.8Å; M155-N158 PolarHBondContact O-N 2.88Å; M156-N158 VanDerWaalsContact C-N 3.33Å
159V52.6Low70.2Confident107 Ų10772.4 Ų72.465%0.64836%0.362SS*.THydrogen-bonded Turntrans-912.2180166.20000112.8M155 M156 E157M155-V159 WeakPolarHBondContact O-CG2 3.4Å; M155-V159 PolarHBondContact O-N 3.07Å; M156-V159 PolarHBondContact O-N 2.68Å; E157-V159 VanDerWaalsContact C-N 3.34Å
160Q39.3Very low69.1Low177 Ų17773.7 Ų73.783%0.82737%0.372SS*.  trans-72.30172.2-93.8177.4-23.100114D87 E88D87-Q160 PolarHBondContact O-NE2 3.36Å; E88-Q160 PolarHBondContact O-NE2 2.62Å

Retrieved 160 of 160 residues in 70.9 ms (Link to these results)

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