A0A077ZFL8_TRITR Loading...

G-protein coupled receptors family 1 profile domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZFL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M51.2Low78.6Confident204 Ų20465.7 Ų65.7100%1.00534%0.341SS*.  0-41.70-82-173.6175.700111.6D3 I4M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.21Å; M1-I4 PolarHBondContact O-N 2.73Å
2F62.8Low79.6Confident179 Ų17964.2 Ų64.279%0.78534%0.336SS*.Hα-helixtrans-55.3-40175.9-64.5-75.2000113.1I4 G5 E6F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 2.92Å; F2-G5 WeakPolarHBondContact O-CA 3.38Å; F2-G5 PolarHBondContact O-N 3.45Å; F2-E6 PolarHBondContact O-N 2.96Å
3D73.6Confident80.3Confident30 Ų3059.8 Ų59.816%0.1631%0.313CS..Hα-helixtrans-58.7-39.1179.4-49.7-39.4000114.8M1 G5 E6 K7M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.21Å; D3-G5 VanDerWaalsContact C-N 3.26Å; D3-G5 PolarHBondContact O-N 2.98Å; D3-E6 PolarHBondContact O-N 2.85Å; D3-K7 WeakPolarHBondContact O-CG 3.46Å; D3-K7 PolarHBondContact O-N 3.07Å; D3-K7 VanDerWaalsContact O-N 3.11Å
4I77.8Confident81Confident69 Ų6958 Ų5835%0.35431%0.306SS..Hα-helixtrans-67.1-36.1179.7-61173000109.4M1 F2 L8M1-I4 PolarHBondContact O-N 2.73Å; F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 2.92Å; I4-L8 VanDerWaalsContact O-CB 3.23Å; I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.05Å
5G82.5Confident81.7Confident41 Ų4155.5 Ų55.542%0.42329%0.293SS..Hα-helixtrans-62.2-47.8176.500000112.3F2 D3 L8 E9F2-G5 WeakPolarHBondContact O-CA 3.38Å; F2-G5 PolarHBondContact O-N 3.45Å; D3-G5 VanDerWaalsContact C-N 3.26Å; D3-G5 PolarHBondContact O-N 2.98Å; G5-L8 WeakPolarHBondContact O-CB 2.85Å; G5-L8 PolarHBondContact O-N 2.92Å; G5-E9 PolarHBondContact O-N 3.4Å
6E82.2Confident82.2Confident43 Ų4355.6 Ų55.620%0.20129%0.292CS..Hα-helixtrans-65.8-39.8179.6-67.2-174.4172.800112.6F2 D3 L8 E9 S10 H86 V90 Y144F2-E6 PolarHBondContact O-N 2.96Å; D3-E6 PolarHBondContact O-N 2.85Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-E9 PolarHBondContact O-N 3.46Å; E6-S10 WeakPolarHBondContact O-CB 3.13Å; E6-S10 PolarHBondContact O-N 3.22Å; E6-S10 PolarHBondContact O-OG 3.3Å; E6-H86 IonicContact OE2-CE1 2.84Å; E6-H86 PolarHBondContact OE2-CE1 2.7Å; E6-H86 IonicContact OE2-NE2 3.9Å; E6-H86 PolarHBondContact OE2-NE2 2.89Å; E6-V90 HydrophobicContact CB-CG2 4.27Å; E6-Y144 PolarHBondContact OE2-OH 3.19Å; E6-Y144 VanDerWaalsContact OE2-OH 3.06Å
7K84.7Confident82.6Confident0 Ų052.3 Ų52.30%027%0.274CS..Hα-helixtrans-65.8-39.4173.8-69.3174-169.3-176.40111.5D3 S10 V11 L49 H53 H86 T89 V90D3-K7 WeakPolarHBondContact O-CG 3.46Å; D3-K7 PolarHBondContact O-N 3.07Å; D3-K7 VanDerWaalsContact O-N 3.11Å; K7-S10 WeakPolarHBondContact O-CB 3.34Å; K7-S10 PolarHBondContact O-N 3.31Å; K7-V11 WeakPolarHBondContact O-CG2 3.47Å; K7-V11 PolarHBondContact O-N 3.32Å; K7-L49 HydrophobicContact CB-CD1 4.36Å; K7-L49 HydrophobicContact CB-CD2 4.49Å; K7-H53 WeakPolarHBondContact CD-CE1 3.25Å; K7-H53 VanDerWaalsContact CD-NE2 3.25Å; K7-H53 WeakPolarHBondContact CD-NE2 2.98Å; K7-H53 WeakPolarHBondContact CE-NE2 3.35Å; K7-H53 PolarHBondContact NZ-CE1 3.43Å; K7-H53 VanDerWaalsContact NZ-CE1 3.28Å; K7-H53 PolarHBondContact NZ-NE2 2.92Å; K7-H86 WeakPolarHBondContact CE-ND1 3.48Å; K7-T89 HydrophobicContact CB-CG2 4.49Å; K7-T89 HydrophobicContact CG-CG2 4.24Å; K7-V90 HydrophobicContact CG-CG2 4.43Å
8L87.3Confident83Confident65 Ų6552.3 Ų52.334%0.3428%0.277SS..Hα-helixtrans-64.1-45.2176-17861.6000111.1I4 G5 E6 S10 V11 V12 V46I4-L8 VanDerWaalsContact O-CB 3.23Å; I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.05Å; G5-L8 WeakPolarHBondContact O-CB 2.85Å; G5-L8 PolarHBondContact O-N 2.92Å; E6-L8 VanDerWaalsContact C-N 3.34Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.3Å; L8-V11 PolarHBondContact O-N 3.13Å; L8-V12 HydrophobicContact CD1-CG2 4.17Å; L8-V12 HydrophobicContact CG-CG2 4.34Å; L8-V12 WeakPolarHBondContact O-CB 3.16Å; L8-V12 VanDerWaalsContact O-CG2 3.22Å; L8-V12 WeakPolarHBondContact O-CG2 3.24Å; L8-V12 PolarHBondContact O-N 3.38Å; L8-V46 HydrophobicContact CD1-CG2 3.58Å
9E86.6Confident83.4Confident59 Ų5950.3 Ų50.328%0.27627%0.266SS..Hα-helixtrans-54.7-49.2173.8-178.1-175.6160.700110.5G5 E6 V11 V12 I13 Q176G5-E9 PolarHBondContact O-N 3.4Å; E6-E9 PolarHBondContact O-N 3.46Å; E9-V11 PolarHBondContact O-N 2.67Å; E9-V12 PolarHBondContact O-N 3.07Å; E9-I13 HydrophobicContact CG-CD1 3.9Å; E9-I13 HydrophobicContact CG-CG1 4.5Å; E9-I13 VanDerWaalsContact O-CG1 3.27Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.45Å; E9-Q176 PolarHBondContact OE1-NE2 2.87Å; E9-Q176 PolarHBondContact OE1-OE1 2.89Å
10S87.5Confident83.6Confident4 Ų449.2 Ų49.23%0.02826%0.258CS..Hα-helixtrans-56.9-48.2178.6-63.20000112.6E6 K7 L8 I13 V14 V90 A93E6-S10 WeakPolarHBondContact O-CB 3.13Å; E6-S10 PolarHBondContact O-N 3.22Å; E6-S10 PolarHBondContact O-OG 3.3Å; K7-S10 WeakPolarHBondContact O-CB 3.34Å; K7-S10 PolarHBondContact O-N 3.31Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.3Å; S10-I13 PolarHBondContact O-N 3.4Å; S10-V14 PolarHBondContact O-N 3.14Å; S10-V90 WeakPolarHBondContact OG-CG1 3.27Å; S10-A93 WeakPolarHBondContact O-CB 3.47Å
11V88.7Confident83.9Confident29 Ų2948.8 Ų48.818%0.17626%0.256CS..Hα-helixtrans-65.2-42.8177.8167.20000111.5K7 L8 E9 I13 V14 I15 S45 L49K7-V11 WeakPolarHBondContact O-CG2 3.47Å; K7-V11 PolarHBondContact O-N 3.32Å; L8-V11 PolarHBondContact O-N 3.13Å; E9-V11 PolarHBondContact O-N 2.67Å; V11-I13 VanDerWaalsContact C-N 3.32Å; V11-I13 PolarHBondContact O-N 3.37Å; V11-V14 PolarHBondContact O-N 3.45Å; V11-I15 HydrophobicContact CG1-CD1 3.66Å; V11-I15 HydrophobicContact CG1-CG1 4.29Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.39Å; V11-I15 PolarHBondContact O-N 2.91Å; V11-S45 WeakPolarHBondContact CG1-OG 3.43Å; V11-L49 HydrophobicContact CB-CD1 4.43Å; V11-L49 HydrophobicContact CG2-CD1 3.82Å; V11-L49 HydrophobicContact CG2-CD2 4.49Å; V11-L49 HydrophobicContact CG2-CG 4.44Å
12V90.4Very high85.7Confident47 Ų4740.7 Ų40.729%0.28522%0.216SC..Hα-helixtrans-61.9-41.3177.9168.90000110.9L8 E9 V14 I15 M16 L42L8-V12 HydrophobicContact CD1-CG2 4.17Å; L8-V12 HydrophobicContact CG-CG2 4.34Å; L8-V12 WeakPolarHBondContact O-CB 3.16Å; L8-V12 VanDerWaalsContact O-CG2 3.22Å; L8-V12 WeakPolarHBondContact O-CG2 3.24Å; L8-V12 PolarHBondContact O-N 3.38Å; E9-V12 PolarHBondContact O-N 3.07Å; V12-V14 VanDerWaalsContact C-N 3.35Å; V12-V14 PolarHBondContact O-N 3.18Å; V12-I15 PolarHBondContact O-N 3.21Å; V12-M16 HydrophobicContact CG1-CE 4.05Å; V12-M16 HydrophobicContact CG1-CG 4.34Å; V12-M16 HydrophobicContact CG1-SD 4.35Å; V12-M16 WeakPolarHBondContact O-CB 3.45Å; V12-M16 VanDerWaalsContact O-CG 3.28Å; V12-M16 WeakPolarHBondContact O-CG 3.44Å; V12-M16 PolarHBondContact O-N 3.43Å; V12-L42 HydrophobicContact CG2-CD1 3.75Å
13I89.2Confident86.9Confident7 Ų732.6 Ų32.64%0.03618%0.182CC..Hα-helixtrans-59.3-45.3176.4-71169.8000111.2E9 S10 V11 M16 G17 S97 L136 I137E9-I13 HydrophobicContact CG-CD1 3.9Å; E9-I13 HydrophobicContact CG-CG1 4.5Å; E9-I13 VanDerWaalsContact O-CG1 3.27Å; E9-I13 WeakPolarHBondContact O-CG1 3.43Å; E9-I13 PolarHBondContact O-N 3.45Å; S10-I13 PolarHBondContact O-N 3.4Å; V11-I13 VanDerWaalsContact C-N 3.32Å; V11-I13 PolarHBondContact O-N 3.37Å; I13-M16 HydrophobicContact CB-CE 4.46Å; I13-M16 HydrophobicContact CG1-CE 4.06Å; I13-M16 PolarHBondContact O-N 2.89Å; I13-G17 PolarHBondContact O-N 3.23Å; I13-S97 WeakPolarHBondContact CG2-OG 3.48Å; I13-L136 HydrophobicContact CD1-CD2 3.96Å; I13-L136 HydrophobicContact CG1-CD2 4.11Å; I13-I137 HydrophobicContact CG2-CD1 4.3Å; I13-I137 HydrophobicContact CG2-CG1 3.78Å
14V90.1Very high87.5Confident35 Ų3531.2 Ų31.221%0.21218%0.175CC..Hα-helixtrans-65-46.3177.3174.50000111.2S10 V11 V12 M16 G17 V18 A93 V96S10-V14 PolarHBondContact O-N 3.14Å; V11-V14 PolarHBondContact O-N 3.45Å; V12-V14 VanDerWaalsContact C-N 3.35Å; V12-V14 PolarHBondContact O-N 3.18Å; V14-M16 VanDerWaalsContact C-N 3.3Å; V14-M16 PolarHBondContact O-N 3Å; V14-G17 WeakPolarHBondContact O-CA 3.23Å; V14-G17 PolarHBondContact O-N 3.23Å; V14-V18 WeakPolarHBondContact O-CG2 3.49Å; V14-V18 PolarHBondContact O-N 3.27Å; V14-A93 HydrophobicContact CG2-CB 3.63Å; V14-V96 HydrophobicContact CG1-CG1 4.28Å
15I90.8Very high87.9Confident21 Ų2130.8 Ų30.811%0.10818%0.175CC..Hα-helixtrans-58.2-44.1177.6-71.2172.2000110.5V11 V12 G17 V18 D19 L38 L41 L42V11-I15 HydrophobicContact CG1-CD1 3.66Å; V11-I15 HydrophobicContact CG1-CG1 4.29Å; V11-I15 VanDerWaalsContact O-CG1 3.32Å; V11-I15 WeakPolarHBondContact O-CG1 3.39Å; V11-I15 PolarHBondContact O-N 2.91Å; V12-I15 PolarHBondContact O-N 3.21Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3Å; I15-V18 PolarHBondContact O-N 3.06Å; I15-D19 VanDerWaalsContact O-CB 3.29Å; I15-D19 WeakPolarHBondContact O-CB 3.28Å; I15-D19 PolarHBondContact O-N 3.31Å; I15-L38 HydrophobicContact CG2-CD1 3.46Å; I15-L38 VanDerWaalsContact CG2-CD1 3.46Å; I15-L38 HydrophobicContact CG2-CG 4.41Å; I15-L41 HydrophobicContact CG1-CD2 4.44Å; I15-L41 HydrophobicContact CG2-CD2 4.49Å; I15-L42 HydrophobicContact CD1-CD1 4.04Å
16M89.1Confident88Confident56 Ų5632.2 Ų32.228%0.27617%0.173SC..Hα-helixtrans-60.1-41.4174.7-74-170.6-61.900111.6V12 I13 V14 D19 R20 L133V12-M16 HydrophobicContact CG1-CE 4.05Å; V12-M16 HydrophobicContact CG1-CG 4.34Å; V12-M16 HydrophobicContact CG1-SD 4.35Å; V12-M16 WeakPolarHBondContact O-CB 3.45Å; V12-M16 VanDerWaalsContact O-CG 3.28Å; V12-M16 WeakPolarHBondContact O-CG 3.44Å; V12-M16 PolarHBondContact O-N 3.43Å; I13-M16 HydrophobicContact CB-CE 4.46Å; I13-M16 HydrophobicContact CG1-CE 4.06Å; I13-M16 PolarHBondContact O-N 2.89Å; V14-M16 VanDerWaalsContact C-N 3.3Å; V14-M16 PolarHBondContact O-N 3Å; M16-D19 PolarHBondContact O-N 2.91Å; M16-R20 VanDerWaalsContact O-CG 3.31Å; M16-R20 WeakPolarHBondContact O-CG 3.45Å; M16-R20 PolarHBondContact O-N 2.96Å; M16-L133 HydrophobicContact CE-CD2 4.11Å; M16-L133 HydrophobicContact SD-CD2 3.82Å
17G90Very high88Confident0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-60.9-45.3175.500000113.2I13 V14 I15 R20 L21I13-G17 PolarHBondContact O-N 3.23Å; V14-G17 WeakPolarHBondContact O-CA 3.23Å; V14-G17 PolarHBondContact O-N 3.23Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3Å; G17-R20 PolarHBondContact O-N 3.13Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.14Å
18V90.1Very high87.8Confident53 Ų5340 Ų4032%0.32121%0.211SC..Hα-helixtrans-65.7-43.5177.21760000111.3V14 I15 R20 L21 M22 L100V14-V18 WeakPolarHBondContact O-CG2 3.49Å; V14-V18 PolarHBondContact O-N 3.27Å; I15-V18 PolarHBondContact O-N 3.06Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 2.85Å; V18-L21 WeakPolarHBondContact O-CB 3.41Å; V18-L21 PolarHBondContact O-N 3.42Å; V18-M22 HydrophobicContact CG1-CE 4.11Å; V18-M22 HydrophobicContact CG1-CG 4.49Å; V18-M22 HydrophobicContact CG1-SD 4.48Å; V18-M22 WeakPolarHBondContact O-CG 3.47Å; V18-M22 PolarHBondContact O-N 3.04Å; V18-L100 HydrophobicContact CG2-CD1 3.86Å
19D89.5Confident87.4Confident13 Ų1340.8 Ų40.87%0.0722%0.216CC..Hα-helixtrans-58.6-43.7176.3164.483.1000111.7I15 M16 M22 A23 Y30 L38I15-D19 VanDerWaalsContact O-CB 3.29Å; I15-D19 WeakPolarHBondContact O-CB 3.28Å; I15-D19 PolarHBondContact O-N 3.31Å; M16-D19 PolarHBondContact O-N 2.91Å; D19-M22 PolarHBondContact O-N 3.31Å; D19-A23 WeakPolarHBondContact O-CB 3.49Å; D19-A23 PolarHBondContact O-N 3.29Å; D19-Y30 VanDerWaalsContact OD1-CE2 3.24Å; D19-Y30 WeakPolarHBondContact OD1-CE2 3.46Å; D19-Y30 PolarHBondContact OD1-OH 2.86Å; D19-Y30 VanDerWaalsContact OD1-OH 3.06Å; D19-L38 HydrophobicContact CB-CD1 4.11Å
20R88.5Confident87.3Confident29 Ų2940.6 Ų40.611%0.10921%0.213CC..Hα-helixtrans-67.6-39.3174.6-66.9-54.792.5-179.2-0.5112.9M16 G17 V18 M22 A23 I24 Y30 I104 E126 L130 L133M16-R20 VanDerWaalsContact O-CG 3.31Å; M16-R20 WeakPolarHBondContact O-CG 3.45Å; M16-R20 PolarHBondContact O-N 2.96Å; G17-R20 PolarHBondContact O-N 3.13Å; V18-R20 VanDerWaalsContact C-N 3.34Å; V18-R20 PolarHBondContact O-N 2.85Å; R20-M22 VanDerWaalsContact C-N 3.34Å; R20-M22 PolarHBondContact O-N 3.39Å; R20-A23 PolarHBondContact O-N 3.33Å; R20-I24 WeakPolarHBondContact O-CG1 3.3Å; R20-I24 PolarHBondContact O-N 3.34Å; R20-I24 VanDerWaalsContact O-N 3.09Å; R20-Y30 PolarHBondContact NH2-OH 2.92Å; R20-Y30 VanDerWaalsContact NH2-OH 3.13Å; R20-I104 HydrophobicContact CB-CD1 4.1Å; R20-E126 IonicContact CZ-OE2 3.14Å; R20-E126 IonicContact NE-OE2 2.56Å; R20-E126 IonicContact NH1-OE1 3.04Å; R20-E126 PolarHBondContact NH1-OE1 3.45Å; R20-E126 VanDerWaalsContact NH1-OE1 3.14Å; R20-E126 IonicContact NH1-OE2 3.44Å; R20-E126 PolarHBondContact NH1-OE2 3.06Å; R20-L130 HydrophobicContact CB-CD1 4.32Å; R20-L133 HydrophobicContact CG-CD1 3.88Å
21L89.5Confident86.9Confident40 Ų4049.6 Ų49.621%0.20925%0.246CC..Hα-helixtrans-59.1-47.5175.1-179.768.9000110.8G17 V18 I24 V25 L100 V103 I104G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.14Å; V18-L21 WeakPolarHBondContact O-CB 3.41Å; V18-L21 PolarHBondContact O-N 3.42Å; L21-I24 PolarHBondContact O-N 3.09Å; L21-V25 HydrophobicContact CD1-CG2 3.6Å; L21-V25 HydrophobicContact CG-CG2 4.34Å; L21-V25 WeakPolarHBondContact O-CB 3.37Å; L21-V25 WeakPolarHBondContact O-CG2 3.46Å; L21-V25 PolarHBondContact O-N 3.35Å; L21-L100 HydrophobicContact CD2-CD2 3.86Å; L21-V103 HydrophobicContact CD1-CG1 4.02Å; L21-I104 HydrophobicContact CB-CD1 4.03Å; L21-I104 HydrophobicContact CB-CG1 4.11Å; L21-I104 HydrophobicContact CD1-CD1 4.44Å; L21-I104 HydrophobicContact CD1-CG1 3.61Å; L21-I104 HydrophobicContact CG-CG1 4.49Å
22M88Confident86.6Confident35 Ų3556.1 Ų56.117%0.17227%0.272CS..Hα-helixtrans-61-45.9177.3-70.5-171.5-64.400111.7V18 D19 R20 I24 N26 L29 Y30 F33V18-M22 HydrophobicContact CG1-CE 4.11Å; V18-M22 HydrophobicContact CG1-CG 4.49Å; V18-M22 HydrophobicContact CG1-SD 4.48Å; V18-M22 WeakPolarHBondContact O-CG 3.47Å; V18-M22 PolarHBondContact O-N 3.04Å; D19-M22 PolarHBondContact O-N 3.31Å; R20-M22 VanDerWaalsContact C-N 3.34Å; R20-M22 PolarHBondContact O-N 3.39Å; M22-I24 VanDerWaalsContact C-N 3.29Å; M22-I24 PolarHBondContact O-N 3.38Å; M22-N26 CarbonylContact O-C 3.18Å; M22-N26 PolarHBondContact O-N 3.02Å; M22-N26 VanDerWaalsContact O-O 3.1Å; M22-L29 HydrophobicContact SD-CD2 4Å; M22-Y30 HydrophobicContact CB-CD2 3.93Å; M22-F33 HydrophobicContact CE-CD1 3.85Å; M22-F33 HydrophobicContact CE-CE1 3.84Å; M22-F33 HydrophobicContact CE-CG 4.31Å; M22-F33 HydrophobicContact CE-CZ 4.3Å
23A87.6Confident86.1Confident9 Ų956.2 Ų56.27%0.07427%0.269CS..Hα-helixtrans-60.1-37.6-179.700000113.1D19 R20 Y30D19-A23 WeakPolarHBondContact O-CB 3.49Å; D19-A23 PolarHBondContact O-N 3.29Å; R20-A23 PolarHBondContact O-N 3.33Å; A23-Y30 HydrophobicContact CB-CD1 4.01Å; A23-Y30 HydrophobicContact CB-CD2 4.03Å; A23-Y30 HydrophobicContact CB-CE1 4Å; A23-Y30 HydrophobicContact CB-CE2 4.03Å; A23-Y30 HydrophobicContact CB-CG 4.02Å
24I86.9Confident85.6Confident1 Ų158.9 Ų58.91%0.00529%0.286CS..Hα-helixtrans-87.4-45.5-174.8-68.5169.8000112.1R20 L21 M22 I104 Y107 L108 M123 E126 L130R20-I24 WeakPolarHBondContact O-CG1 3.3Å; R20-I24 PolarHBondContact O-N 3.34Å; R20-I24 VanDerWaalsContact O-N 3.09Å; L21-I24 PolarHBondContact O-N 3.09Å; M22-I24 VanDerWaalsContact C-N 3.29Å; M22-I24 PolarHBondContact O-N 3.38Å; I24-I104 HydrophobicContact CD1-CG2 3.41Å; I24-I104 VanDerWaalsContact CD1-CG2 3.41Å; I24-I104 HydrophobicContact CG2-CG2 4.34Å; I24-Y107 HydrophobicContact CG2-CD1 3.75Å; I24-Y107 HydrophobicContact CG2-CE1 4.05Å; I24-L108 HydrophobicContact CG2-CD2 3.79Å; I24-L108 HydrophobicContact CG2-CG 4.13Å; I24-M123 HydrophobicContact CG2-CE 4.05Å; I24-M123 HydrophobicContact CG2-SD 4.26Å; I24-E126 HydrophobicContact CG1-CB 4.25Å; I24-L130 HydrophobicContact CD1-CD2 4.35Å
25V86.6Confident85.2Confident60 Ų6062.4 Ų62.436%0.36431%0.308SS..Hα-helixtrans-81.7-43.1-173.1177.40000111.6L21 Y107L21-V25 HydrophobicContact CD1-CG2 3.6Å; L21-V25 HydrophobicContact CG-CG2 4.34Å; L21-V25 WeakPolarHBondContact O-CB 3.37Å; L21-V25 WeakPolarHBondContact O-CG2 3.46Å; L21-V25 PolarHBondContact O-N 3.35Å; V25-Y107 HydrophobicContact CG1-CE2 4.32Å; V25-Y107 HydrophobicContact CG2-CD1 4.29Å; V25-Y107 HydrophobicContact CG2-CD2 4.23Å; V25-Y107 HydrophobicContact CG2-CG 4.09Å
26N84.8Confident84.9Confident71 Ų7168.8 Ų68.838%0.3834%0.335SS..  trans-134.976.6-174.6-167.6-16.2000111.8M22 E28 L29 Y30M22-N26 CarbonylContact O-C 3.18Å; M22-N26 PolarHBondContact O-N 3.02Å; M22-N26 VanDerWaalsContact O-O 3.1Å; N26-E28 PolarHBondContact O-N 3.01Å; N26-E28 PolarHBondContact OD1-N 3.06Å; N26-L29 HydrophobicContact CB-CB 4.12Å; N26-L29 VanDerWaalsContact CG-CB 3.43Å; N26-L29 PolarHBondContact O-N 3.5Å; N26-L29 WeakPolarHBondContact OD1-CB 3.28Å; N26-L29 PolarHBondContact OD1-N 3.45Å; N26-Y30 PolarHBondContact O-N 2.91Å
27N81.6Confident84.8Confident63 Ų6370.4 Ų70.434%0.33734%0.341SS..Hα-helixtrans-58.7-30.8179.8-172.429.5000113.1Y30 R31N27-Y30 PolarHBondContact O-N 3.01Å; N27-R31 WeakPolarHBondContact O-CB 3.33Å; N27-R31 PolarHBondContact O-N 2.93Å
28E81.9Confident84.6Confident142 Ų14272.6 Ų72.666%0.66435%0.353SS*.Hα-helixtrans-68.3-43177.9-64.7-168.516800112.2N26 R31 K32N26-E28 PolarHBondContact O-N 3.01Å; N26-E28 PolarHBondContact OD1-N 3.06Å; E28-R31 PolarHBondContact O-N 3.33Å; E28-K32 PolarHBondContact O-N 3.28Å
29L78.4Confident84.6Confident83 Ų8376 Ų7644%0.43537%0.367SS..Hα-helixtrans-67.3-41.1174.1-169.9146.8000110.5M22 N26 R31 K32 F33M22-L29 HydrophobicContact SD-CD2 4Å; N26-L29 HydrophobicContact CB-CB 4.12Å; N26-L29 VanDerWaalsContact CG-CB 3.43Å; N26-L29 PolarHBondContact O-N 3.5Å; N26-L29 WeakPolarHBondContact OD1-CB 3.28Å; N26-L29 PolarHBondContact OD1-N 3.45Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 2.99Å; L29-K32 WeakPolarHBondContact O-CB 3.38Å; L29-K32 PolarHBondContact O-N 3.35Å; L29-K32 VanDerWaalsContact O-N 3.13Å; L29-F33 PolarHBondContact O-N 2.95Å
30Y83.8Confident84.6Confident55 Ų5579.9 Ų79.922%0.21639%0.386CS..Hα-helixtrans-60.2-40.6175.4-169.6-109.4000112.7D19 R20 M22 A23 N26 N27 K32 F33D19-Y30 VanDerWaalsContact OD1-CE2 3.24Å; D19-Y30 WeakPolarHBondContact OD1-CE2 3.46Å; D19-Y30 PolarHBondContact OD1-OH 2.86Å; D19-Y30 VanDerWaalsContact OD1-OH 3.06Å; R20-Y30 PolarHBondContact NH2-OH 2.92Å; R20-Y30 VanDerWaalsContact NH2-OH 3.13Å; M22-Y30 HydrophobicContact CB-CD2 3.93Å; A23-Y30 HydrophobicContact CB-CD1 4.01Å; A23-Y30 HydrophobicContact CB-CD2 4.03Å; A23-Y30 HydrophobicContact CB-CE1 4Å; A23-Y30 HydrophobicContact CB-CE2 4.03Å; A23-Y30 HydrophobicContact CB-CG 4.02Å; N26-Y30 PolarHBondContact O-N 2.91Å; N27-Y30 PolarHBondContact O-N 3.01Å; Y30-K32 PolarHBondContact O-N 3.29Å; Y30-F33 CarbonylContact O-C 3.29Å; Y30-F33 VanDerWaalsContact O-C 3.29Å; Y30-F33 WeakPolarHBondContact O-CA 3.44Å; Y30-F33 PolarHBondContact O-N 3.31Å
31R78.5Confident84.7Confident193 Ų19382 Ų8273%0.72840%0.399SS*.Hα-helixtrans-62.3-32.7176.5-171.8177.965.8-173.1-2.5112.6N27 E28 L29N27-R31 WeakPolarHBondContact O-CB 3.33Å; N27-R31 PolarHBondContact O-N 2.93Å; E28-R31 PolarHBondContact O-N 3.33Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 2.99Å
32K83.2Confident84.7Confident165 Ų16582.5 Ų82.572%0.71740%0.402SS*.Hα-helixtrans-74-34.1171.5-65.7-179.9-179.6179.10111.2E28 L29 Y30 T34E28-K32 PolarHBondContact O-N 3.28Å; L29-K32 WeakPolarHBondContact O-CB 3.38Å; L29-K32 PolarHBondContact O-N 3.35Å; L29-K32 VanDerWaalsContact O-N 3.13Å; Y30-K32 PolarHBondContact O-N 3.29Å; K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.98Å
33F80.3Confident84.9Confident49 Ų4987 Ų8722%0.21542%0.421CS..SBendtrans-77.279.2177.3-159-96.2000111.5M22 L29 Y30 H37 L38M22-F33 HydrophobicContact CE-CD1 3.85Å; M22-F33 HydrophobicContact CE-CE1 3.84Å; M22-F33 HydrophobicContact CE-CG 4.31Å; M22-F33 HydrophobicContact CE-CZ 4.3Å; L29-F33 PolarHBondContact O-N 2.95Å; Y30-F33 CarbonylContact O-C 3.29Å; Y30-F33 VanDerWaalsContact O-C 3.29Å; Y30-F33 WeakPolarHBondContact O-CA 3.44Å; Y30-F33 PolarHBondContact O-N 3.31Å; F33-H37 HydrophobicContact CD1-CB 4.23Å; F33-H37 HydrophobicContact CD2-CB 3.75Å; F33-H37 HydrophobicContact CE1-CB 3.93Å; F33-H37 HydrophobicContact CE2-CB 3.4Å; F33-H37 VanDerWaalsContact CE2-CB 3.4Å; F33-H37 HydrophobicContact CG-CB 4.15Å; F33-H37 HydrophobicContact CZ-CB 3.5Å; F33-L38 HydrophobicContact CE1-CB 4.08Å; F33-L38 HydrophobicContact CE1-CD1 4.31Å
34T79.3Confident85.1Confident63 Ų6390.4 Ų90.439%0.38744%0.437SS..  trans-65.2159.5177.265.20000112.3K32 K36 H37K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.98Å; T34-K36 PolarHBondContact O-N 3.35Å; T34-H37 PolarHBondContact N-ND1 3.45Å; T34-H37 WeakPolarHBondContact O-CB 3.46Å; T34-H37 PolarHBondContact O-N 3.33Å; T34-H37 PolarHBondContact OG1-ND1 3Å
35T81Confident85.2Confident110 Ų11091.2 Ų91.268%0.67544%0.443SS*.Hα-helixtrans-47.6-30.7171.251.50000114.3H37 L38 M39T35-H37 VanDerWaalsContact C-N 3.34Å; T35-H37 PolarHBondContact O-N 2.87Å; T35-L38 WeakPolarHBondContact O-CB 3.29Å; T35-L38 PolarHBondContact O-N 3.25Å; T35-M39 WeakPolarHBondContact O-CG 3.36Å; T35-M39 PolarHBondContact O-N 3.28Å
36K85.2Confident85.3Confident155 Ų15590.6 Ų90.667%0.67444%0.439SS*.Hα-helixtrans-58-41.3173.3-63.5-176.2178.6-178.70113.3T34 M39 I40T34-K36 PolarHBondContact O-N 3.35Å; K36-M39 PolarHBondContact O-N 3.42Å; K36-I40 VanDerWaalsContact O-CG1 3.27Å; K36-I40 WeakPolarHBondContact O-CG1 3.28Å; K36-I40 PolarHBondContact O-N 2.91Å
37H86.5Confident85.7Confident89 Ų8990.8 Ų90.841%0.41244%0.44SS..Hα-helixtrans-69-37.7179.3-63.994.3000111.2F33 T34 T35 M39 I40 L41F33-H37 HydrophobicContact CD1-CB 4.23Å; F33-H37 HydrophobicContact CD2-CB 3.75Å; F33-H37 HydrophobicContact CE1-CB 3.93Å; F33-H37 HydrophobicContact CE2-CB 3.4Å; F33-H37 VanDerWaalsContact CE2-CB 3.4Å; F33-H37 HydrophobicContact CG-CB 4.15Å; F33-H37 HydrophobicContact CZ-CB 3.5Å; T34-H37 PolarHBondContact N-ND1 3.45Å; T34-H37 WeakPolarHBondContact O-CB 3.46Å; T34-H37 PolarHBondContact O-N 3.33Å; T34-H37 PolarHBondContact OG1-ND1 3Å; T35-H37 VanDerWaalsContact C-N 3.34Å; T35-H37 PolarHBondContact O-N 2.87Å; H37-M39 VanDerWaalsContact C-N 3.33Å; H37-M39 PolarHBondContact O-N 3.37Å; H37-I40 PolarHBondContact O-N 3.49Å; H37-L41 WeakPolarHBondContact O-CB 3.47Å; H37-L41 PolarHBondContact O-N 3.3Å
38L86.2Confident86.1Confident46 Ų4692.7 Ų92.724%0.24145%0.449CS..Hα-helixtrans-61.2-43.4173-169.670.9000111.2I15 D19 F33 T35 L41 L42I15-L38 HydrophobicContact CG2-CD1 3.46Å; I15-L38 VanDerWaalsContact CG2-CD1 3.46Å; I15-L38 HydrophobicContact CG2-CG 4.41Å; D19-L38 HydrophobicContact CB-CD1 4.11Å; F33-L38 HydrophobicContact CE1-CB 4.08Å; F33-L38 HydrophobicContact CE1-CD1 4.31Å; T35-L38 WeakPolarHBondContact O-CB 3.29Å; T35-L38 PolarHBondContact O-N 3.25Å; L38-L41 PolarHBondContact O-N 3.17Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 PolarHBondContact O-N 3.5Å
39M88.5Confident86.4Confident125 Ų12586.7 Ų86.762%0.61642%0.422SS*.Hα-helixtrans-65.1-40.7176.3-68.8-61.3-66.600112.3T35 K36 H37 L42 F43T35-M39 WeakPolarHBondContact O-CG 3.36Å; T35-M39 PolarHBondContact O-N 3.28Å; K36-M39 PolarHBondContact O-N 3.42Å; H37-M39 VanDerWaalsContact C-N 3.33Å; H37-M39 PolarHBondContact O-N 3.37Å; M39-L42 PolarHBondContact O-N 2.83Å; M39-F43 VanDerWaalsContact O-CB 3.3Å; M39-F43 WeakPolarHBondContact O-CB 3.31Å; M39-F43 PolarHBondContact O-N 2.83Å
40I91.2Very high86.8Confident94 Ų9486.5 Ų86.548%0.48242%0.421SS..Hα-helixtrans-64.5-44.4175.2-69.4164.2000110.3K36 H37 L42 F43 I44K36-I40 VanDerWaalsContact O-CG1 3.27Å; K36-I40 WeakPolarHBondContact O-CG1 3.28Å; K36-I40 PolarHBondContact O-N 2.91Å; H37-I40 PolarHBondContact O-N 3.49Å; I40-L42 VanDerWaalsContact C-N 3.35Å; I40-L42 PolarHBondContact O-N 2.88Å; I40-F43 PolarHBondContact O-N 3.15Å; I40-I44 HydrophobicContact CG2-CD1 3.66Å; I40-I44 HydrophobicContact CG2-CG1 4.28Å; I40-I44 WeakPolarHBondContact O-CB 3.41Å; I40-I44 VanDerWaalsContact O-CG1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.41Å; I40-I44 PolarHBondContact O-N 2.56Å
41L89.4Confident87.1Confident74 Ų7487.7 Ų87.739%0.38744%0.436SS..Hα-helixtrans-60.7-45.6176.9-179.365.5000111.1I15 H37 L38 I44 S45I15-L41 HydrophobicContact CG1-CD2 4.44Å; I15-L41 HydrophobicContact CG2-CD2 4.49Å; H37-L41 WeakPolarHBondContact O-CB 3.47Å; H37-L41 PolarHBondContact O-N 3.3Å; L38-L41 PolarHBondContact O-N 3.17Å; L41-I44 PolarHBondContact O-N 3.45Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.3Å; L41-S45 PolarHBondContact O-OG 3.44Å
42L89.7Confident87.6Confident51 Ų5181.6 Ų81.627%0.26742%0.417SS..Hα-helixtrans-59.4-47.8174.9-178.165.4000110.6V12 I15 L38 M39 I40 I44 S45 V46V12-L42 HydrophobicContact CG2-CD1 3.75Å; I15-L42 HydrophobicContact CD1-CD1 4.04Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 PolarHBondContact O-N 3.5Å; M39-L42 PolarHBondContact O-N 2.83Å; I40-L42 VanDerWaalsContact C-N 3.35Å; I40-L42 PolarHBondContact O-N 2.88Å; L42-I44 PolarHBondContact O-N 3.21Å; L42-S45 WeakPolarHBondContact CA-OG 3.44Å; L42-S45 PolarHBondContact O-N 2.95Å; L42-S45 PolarHBondContact O-OG 2.94Å; L42-V46 VanDerWaalsContact O-CG2 3.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.33Å; L42-V46 PolarHBondContact O-N 2.98Å
43F91.6Very high87.7Confident128 Ų12874.4 Ų74.456%0.56139%0.387SS*.Hα-helixtrans-60-47178.5-178.5-104.9000112.4M39 I40 S45 V46 L47M39-F43 VanDerWaalsContact O-CB 3.3Å; M39-F43 WeakPolarHBondContact O-CB 3.31Å; M39-F43 PolarHBondContact O-N 2.83Å; I40-F43 PolarHBondContact O-N 3.15Å; F43-S45 VanDerWaalsContact C-N 3.32Å; F43-S45 PolarHBondContact O-N 3.45Å; F43-V46 PolarHBondContact O-N 3.33Å; F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.38Å; F43-L47 HydrophobicContact CE1-CD1 3.29Å; F43-L47 HydrophobicContact CE1-CG 4.04Å; F43-L47 HydrophobicContact CE2-CD1 4.43Å; F43-L47 HydrophobicContact CE2-CG 4.38Å; F43-L47 HydrophobicContact CZ-CD1 3.63Å; F43-L47 HydrophobicContact CZ-CD2 4.26Å; F43-L47 HydrophobicContact CZ-CG 4.03Å; F43-L47 WeakPolarHBondContact O-CG 3.44Å; F43-L47 PolarHBondContact O-N 2.87Å
44I92.8Very high88Confident81 Ų8175 Ų7542%0.41540%0.4SS..Hα-helixtrans-60-44.2175.3-69.2168.9000110.2I40 L41 L42 V46 L47 L48I40-I44 HydrophobicContact CG2-CD1 3.66Å; I40-I44 HydrophobicContact CG2-CG1 4.28Å; I40-I44 WeakPolarHBondContact O-CB 3.41Å; I40-I44 VanDerWaalsContact O-CG1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.41Å; I40-I44 PolarHBondContact O-N 2.56Å; L41-I44 PolarHBondContact O-N 3.45Å; L42-I44 PolarHBondContact O-N 3.21Å; I44-V46 VanDerWaalsContact C-N 3.34Å; I44-V46 PolarHBondContact O-N 3.43Å; I44-L47 PolarHBondContact O-N 3.42Å; I44-L48 HydrophobicContact CG2-CD1 3.81Å; I44-L48 HydrophobicContact CG2-CG 4.24Å; I44-L48 WeakPolarHBondContact O-CB 3.49Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.42Å; I44-L48 PolarHBondContact O-N 2.81Å
45S88.6Confident88.4Confident19 Ų1974.6 Ų74.613%0.13340%0.4CS..Hα-helixtrans-62.7-39.9179.374.30000112.5V11 L41 L42 F43 L48 L49V11-S45 WeakPolarHBondContact CG1-OG 3.43Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.3Å; L41-S45 PolarHBondContact O-OG 3.44Å; L42-S45 WeakPolarHBondContact CA-OG 3.44Å; L42-S45 PolarHBondContact O-N 2.95Å; L42-S45 PolarHBondContact O-OG 2.94Å; F43-S45 VanDerWaalsContact C-N 3.32Å; F43-S45 PolarHBondContact O-N 3.45Å; S45-L48 PolarHBondContact O-N 3.36Å; S45-L49 WeakPolarHBondContact O-CB 3.35Å; S45-L49 WeakPolarHBondContact O-CG 3.3Å; S45-L49 PolarHBondContact O-N 3.24Å
46V89.6Confident88.6Confident46 Ų4670.7 Ų70.728%0.27938%0.375SS..Hα-helixtrans-65.3-46.4175.1172.30000110.7L8 L42 F43 I44 L48 L49 L50L8-V46 HydrophobicContact CD1-CG2 3.58Å; L42-V46 VanDerWaalsContact O-CG2 3.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.33Å; L42-V46 PolarHBondContact O-N 2.98Å; F43-V46 PolarHBondContact O-N 3.33Å; I44-V46 VanDerWaalsContact C-N 3.34Å; I44-V46 PolarHBondContact O-N 3.43Å; V46-L48 PolarHBondContact O-N 2.97Å; V46-L49 PolarHBondContact O-N 3.43Å; V46-L50 HydrophobicContact CG1-CD1 4.02Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 VanDerWaalsContact O-CG 3.31Å; V46-L50 WeakPolarHBondContact O-CG 3.29Å; V46-L50 PolarHBondContact O-N 2.87Å
47L91.7Very high88.4Confident75 Ų7566 Ų6639%0.39336%0.359SS..Hα-helixtrans-61-45177.2-73.6-175.9000111.9F43 I44 L49 L50 C51F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.38Å; F43-L47 HydrophobicContact CE1-CD1 3.29Å; F43-L47 HydrophobicContact CE1-CG 4.04Å; F43-L47 HydrophobicContact CE2-CD1 4.43Å; F43-L47 HydrophobicContact CE2-CG 4.38Å; F43-L47 HydrophobicContact CZ-CD1 3.63Å; F43-L47 HydrophobicContact CZ-CD2 4.26Å; F43-L47 HydrophobicContact CZ-CG 4.03Å; F43-L47 WeakPolarHBondContact O-CG 3.44Å; F43-L47 PolarHBondContact O-N 2.87Å; I44-L47 PolarHBondContact O-N 3.42Å; L47-L49 PolarHBondContact O-N 3.31Å; L47-L50 PolarHBondContact O-N 3.27Å; L47-C51 WeakPolarHBondContact O-CB 3.28Å; L47-C51 PolarHBondContact O-N 3.29Å; L47-C51 PolarHBondContact O-SG 3.49Å
48L90.5Very high88.4Confident103 Ų10368.5 Ų68.554%0.53937%0.369SS..Hα-helixtrans-60.9-44.7177-74.4172.5000111.5I44 S45 V46 L50 C51 I52I44-L48 HydrophobicContact CG2-CD1 3.81Å; I44-L48 HydrophobicContact CG2-CG 4.24Å; I44-L48 WeakPolarHBondContact O-CB 3.49Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.42Å; I44-L48 PolarHBondContact O-N 2.81Å; S45-L48 PolarHBondContact O-N 3.36Å; V46-L48 PolarHBondContact O-N 2.97Å; L48-L50 PolarHBondContact O-N 2.86Å; L48-C51 PolarHBondContact O-N 3.45Å; L48-I52 VanDerWaalsContact O-CG1 3.29Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.5Å
49L87.7Confident88.2Confident17 Ų1772 Ų729%0.08938%0.384CS..Hα-helixtrans-57.3-49.8173.4-76.9176.1000110.7K7 V11 S45 V46 L47 C51 I52 H53K7-L49 HydrophobicContact CB-CD1 4.36Å; K7-L49 HydrophobicContact CB-CD2 4.49Å; V11-L49 HydrophobicContact CB-CD1 4.43Å; V11-L49 HydrophobicContact CG2-CD1 3.82Å; V11-L49 HydrophobicContact CG2-CD2 4.49Å; V11-L49 HydrophobicContact CG2-CG 4.44Å; S45-L49 WeakPolarHBondContact O-CB 3.35Å; S45-L49 WeakPolarHBondContact O-CG 3.3Å; S45-L49 PolarHBondContact O-N 3.24Å; V46-L49 PolarHBondContact O-N 3.43Å; L47-L49 PolarHBondContact O-N 3.31Å; L49-C51 VanDerWaalsContact C-N 3.33Å; L49-C51 PolarHBondContact O-N 2.93Å; L49-I52 PolarHBondContact O-N 3.01Å; L49-H53 PolarHBondContact O-N 3.48Å; L49-H53 PolarHBondContact O-ND1 3.44Å
50L88.4Confident87.7Confident78 Ų7867 Ų6741%0.40836%0.364SS..Hα-helixtrans-60.4-41.2179.4-71172.4000112.3V46 L47 L48 H53 A54V46-L50 HydrophobicContact CG1-CD1 4.02Å; V46-L50 HydrophobicContact CG1-CG 4.45Å; V46-L50 VanDerWaalsContact O-CG 3.31Å; V46-L50 WeakPolarHBondContact O-CG 3.29Å; V46-L50 PolarHBondContact O-N 2.87Å; L47-L50 PolarHBondContact O-N 3.27Å; L48-L50 PolarHBondContact O-N 2.86Å; L50-H53 PolarHBondContact O-N 3.05Å; L50-A54 WeakPolarHBondContact O-CB 3.34Å; L50-A54 PolarHBondContact O-N 2.66Å
51C90.1Very high87.1Confident81 Ų8167.4 Ų67.455%0.54738%0.375SS..Hα-helixtrans-61.9-45.7175.7-71.50000111.8L47 L48 L49 H53 A54 S55L47-C51 WeakPolarHBondContact O-CB 3.28Å; L47-C51 PolarHBondContact O-N 3.29Å; L47-C51 PolarHBondContact O-SG 3.49Å; L48-C51 PolarHBondContact O-N 3.45Å; L49-C51 VanDerWaalsContact C-N 3.33Å; L49-C51 PolarHBondContact O-N 2.93Å; C51-H53 VanDerWaalsContact C-N 3.35Å; C51-A54 PolarHBondContact O-N 3.39Å; C51-S55 PolarHBondContact O-N 3.24Å; C51-S55 PolarHBondContact O-OG 2.86Å
52I88.1Confident86.7Confident64 Ų6468.5 Ų68.533%0.32839%0.385SS..Hα-helixtrans-64-41.4177.4-66.1164.4000110.8L48 L49 S55 L56 F85L48-I52 VanDerWaalsContact O-CG1 3.29Å; L48-I52 WeakPolarHBondContact O-CG1 3.44Å; L48-I52 PolarHBondContact O-N 3.5Å; L49-I52 PolarHBondContact O-N 3.01Å; I52-S55 WeakPolarHBondContact CA-OG 3.32Å; I52-S55 PolarHBondContact O-N 2.86Å; I52-S55 PolarHBondContact O-OG 3.25Å; I52-L56 HydrophobicContact CG2-CD1 3.82Å; I52-L56 HydrophobicContact CG2-CG 4.35Å; I52-L56 WeakPolarHBondContact O-CB 3.33Å; I52-L56 VanDerWaalsContact O-CG 3.29Å; I52-L56 WeakPolarHBondContact O-CG 3.47Å; I52-L56 PolarHBondContact O-N 3.44Å; I52-F85 HydrophobicContact CD1-CZ 4.22Å; I52-F85 HydrophobicContact CG2-CD1 4.22Å; I52-F85 HydrophobicContact CG2-CE1 3.66Å; I52-F85 HydrophobicContact CG2-CE2 4.32Å; I52-F85 HydrophobicContact CG2-CZ 3.73Å
53H85.6Confident85.8Confident15 Ų1568.7 Ų68.77%0.06939%0.394CS..Hα-helixtrans-61.1-48.8175-77.273.3000111.1K7 L49 L50 C51 S55 L56 V57 F82K7-H53 WeakPolarHBondContact CD-CE1 3.25Å; K7-H53 VanDerWaalsContact CD-NE2 3.25Å; K7-H53 WeakPolarHBondContact CD-NE2 2.98Å; K7-H53 WeakPolarHBondContact CE-NE2 3.35Å; K7-H53 PolarHBondContact NZ-CE1 3.43Å; K7-H53 VanDerWaalsContact NZ-CE1 3.28Å; K7-H53 PolarHBondContact NZ-NE2 2.92Å; L49-H53 PolarHBondContact O-N 3.48Å; L49-H53 PolarHBondContact O-ND1 3.44Å; L50-H53 PolarHBondContact O-N 3.05Å; C51-H53 VanDerWaalsContact C-N 3.35Å; H53-S55 VanDerWaalsContact C-N 3.33Å; H53-S55 PolarHBondContact O-N 3.47Å; H53-L56 PolarHBondContact O-N 2.91Å; H53-V57 WeakPolarHBondContact O-CB 3.14Å; H53-V57 VanDerWaalsContact O-CG2 3.26Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.29Å; H53-F82 HydrophobicContact CB-CE2 4.47Å; H53-F82 AromaticContact CD2-CE2 3.42Å; H53-F82 VanDerWaalsContact CD2-CE2 3.42Å; H53-F82 WeakPolarHBondContact CD2-CE2 3.49Å; H53-F82 AromaticContact CD2-CZ 3.66Å
54A86.5Confident84.6Confident61 Ų6171 Ų7150%0.50441%0.406SS..Hα-helixtrans-61.4-41.4179.600000111.7L50 C51 F58L50-A54 WeakPolarHBondContact O-CB 3.34Å; L50-A54 PolarHBondContact O-N 2.66Å; C51-A54 PolarHBondContact O-N 3.39Å; A54-F58 WeakPolarHBondContact O-CB 3.11Å; A54-F58 PolarHBondContact O-N 3.2Å
55S87.2Confident83.3Confident55 Ų5573 Ų7339%0.38543%0.428SS..Hα-helixtrans-66.4-43178.460.30000112.6C51 I52 H53 F58 Q59C51-S55 PolarHBondContact O-N 3.24Å; C51-S55 PolarHBondContact O-OG 2.86Å; I52-S55 WeakPolarHBondContact CA-OG 3.32Å; I52-S55 PolarHBondContact O-N 2.86Å; I52-S55 PolarHBondContact O-OG 3.25Å; H53-S55 VanDerWaalsContact C-N 3.33Å; H53-S55 PolarHBondContact O-N 3.47Å; S55-F58 PolarHBondContact O-N 3.41Å; S55-Q59 WeakPolarHBondContact O-CB 3.41Å; S55-Q59 VanDerWaalsContact O-CG 3.29Å; S55-Q59 WeakPolarHBondContact O-CG 3.24Å; S55-Q59 PolarHBondContact O-N 3.18Å
56L84.7Confident82.1Confident27 Ų2778.4 Ų78.414%0.14145%0.445CS..Hα-helixtrans-67.6-41.5179.2-71.7171.4000111.7I52 H53 G60 F82 F85I52-L56 HydrophobicContact CG2-CD1 3.82Å; I52-L56 HydrophobicContact CG2-CG 4.35Å; I52-L56 WeakPolarHBondContact O-CB 3.33Å; I52-L56 VanDerWaalsContact O-CG 3.29Å; I52-L56 WeakPolarHBondContact O-CG 3.47Å; I52-L56 PolarHBondContact O-N 3.44Å; H53-L56 PolarHBondContact O-N 2.91Å; L56-G60 PolarHBondContact O-N 3.32Å; L56-F82 HydrophobicContact CB-CB 4.48Å; L56-F82 HydrophobicContact CB-CD2 4.03Å; L56-F82 HydrophobicContact CD1-CD2 4.04Å; L56-F85 HydrophobicContact CD1-CB 4.31Å; L56-F85 HydrophobicContact CD1-CD1 4.04Å; L56-F85 HydrophobicContact CD1-CG 4.25Å
57V82.1Confident80.8Confident56 Ų5681.9 Ų81.934%0.33947%0.471SS..Hα-helixtrans-64-45.2174.8171.50000110.3H53 Q59 G60 C61 F78H53-V57 WeakPolarHBondContact O-CB 3.14Å; H53-V57 VanDerWaalsContact O-CG2 3.26Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.29Å; V57-Q59 PolarHBondContact O-N 3.38Å; V57-G60 PolarHBondContact O-N 3.45Å; V57-C61 PolarHBondContact O-N 3.05Å; V57-C61 PolarHBondContact O-SG 2.89Å; V57-F78 HydrophobicContact CG2-CE1 4.44Å
58F85.1Confident79.4Confident143 Ų14382 Ų8263%0.62748%0.475SS*.Hα-helixtrans-60.8-46178.5-176-98.1000112A54 S55 G60 C61 T62A54-F58 WeakPolarHBondContact O-CB 3.11Å; A54-F58 PolarHBondContact O-N 3.2Å; S55-F58 PolarHBondContact O-N 3.41Å; F58-G60 VanDerWaalsContact C-N 3.33Å; F58-G60 PolarHBondContact O-N 2.79Å; F58-C61 PolarHBondContact O-N 3.01Å; F58-T62 HydrophobicContact CD1-CG2 4.47Å; F58-T62 HydrophobicContact CE1-CG2 4.1Å; F58-T62 HydrophobicContact CZ-CG2 4.21Å; F58-T62 WeakPolarHBondContact O-CG2 3.47Å; F58-T62 PolarHBondContact O-N 3.23Å; F58-T62 VanDerWaalsContact O-N 3.08Å; F58-T62 PolarHBondContact O-OG1 2.96Å
59Q83.7Confident78.2Confident118 Ų11879.5 Ų79.555%0.55147%0.466SS*.Hα-helixtrans-59-44.2174.3-75.9175-24.100111.7S55 V57 C61 T62 A63S55-Q59 WeakPolarHBondContact O-CB 3.41Å; S55-Q59 VanDerWaalsContact O-CG 3.29Å; S55-Q59 WeakPolarHBondContact O-CG 3.24Å; S55-Q59 PolarHBondContact O-N 3.18Å; V57-Q59 PolarHBondContact O-N 3.38Å; Q59-C61 PolarHBondContact O-N 3.41Å; Q59-T62 PolarHBondContact O-N 3.15Å; Q59-T62 PolarHBondContact O-OG1 2.96Å; Q59-A63 WeakPolarHBondContact O-CB 3.2Å; Q59-A63 PolarHBondContact O-N 2.85Å; Q59-A63 VanDerWaalsContact O-N 3.16Å
60G78.1Confident77.3Confident20 Ų2084.4 Ų84.421%0.20650%0.502CS..Hα-helixtrans-60.9-41.6175.600000113.2L56 V57 F58 T62 A63L56-G60 PolarHBondContact O-N 3.32Å; V57-G60 PolarHBondContact O-N 3.45Å; F58-G60 VanDerWaalsContact C-N 3.33Å; F58-G60 PolarHBondContact O-N 2.79Å; G60-T62 VanDerWaalsContact C-N 3.31Å; G60-T62 PolarHBondContact O-N 3.04Å; G60-A63 PolarHBondContact O-N 3.11Å
61C77.9Confident76.2Confident103 Ų10387 Ų8770%0.69651%0.512SS*.Hα-helixtrans-67.9-29177.2-67.80000113.3V57 F58 Q59V57-C61 PolarHBondContact O-N 3.05Å; V57-C61 PolarHBondContact O-SG 2.89Å; F58-C61 PolarHBondContact O-N 3.01Å; Q59-C61 PolarHBondContact O-N 3.41Å
62T80.4Confident75Confident98 Ų9886.9 Ų86.960%0.60151%0.511SS*.Hα-helixtrans-80.6-19.8176.4560000113.5F58 Q59 G60 E64F58-T62 HydrophobicContact CD1-CG2 4.47Å; F58-T62 HydrophobicContact CE1-CG2 4.1Å; F58-T62 HydrophobicContact CZ-CG2 4.21Å; F58-T62 WeakPolarHBondContact O-CG2 3.47Å; F58-T62 PolarHBondContact O-N 3.23Å; F58-T62 VanDerWaalsContact O-N 3.08Å; F58-T62 PolarHBondContact O-OG1 2.96Å; Q59-T62 PolarHBondContact O-N 3.15Å; Q59-T62 PolarHBondContact O-OG1 2.96Å; G60-T62 VanDerWaalsContact C-N 3.31Å; G60-T62 PolarHBondContact O-N 3.04Å; T62-E64 PolarHBondContact O-N 3.33Å
63A70.7Confident73.8Confident55 Ų5587.9 Ų87.946%0.45551%0.513SS..SBendtrans-94.488.2-175.300000111.2Q59 G60Q59-A63 WeakPolarHBondContact O-CB 3.2Å; Q59-A63 PolarHBondContact O-N 2.85Å; Q59-A63 VanDerWaalsContact O-N 3.16Å; G60-A63 PolarHBondContact O-N 3.11Å
64E67.1Low72.8Confident177 Ų17791 Ų9183%0.82753%0.531SS*.  trans58.8144165.9-157.5160.9-167.600117.3T62 R66T62-E64 PolarHBondContact O-N 3.33Å; E64-R66 PolarHBondContact O-N 3.34Å
65S65.3Low71.7Confident123 Ų12394 Ų9486%0.8653%0.532SS*.  trans-69.7100.1-17851.20000111.1
66R62.8Low70.4Confident132 Ų13293.7 Ų93.750%0.49853%0.525SS..PPolyproline II helixtrans-79.2132.6171.3-66.6-173.7-175.8-174-1111E64 F78E64-R66 PolarHBondContact O-N 3.34Å; R66-F78 PolarHBondContact NH1-O 2.84Å
67S63.7Low69.6Low119 Ų11995.9 Ų95.983%0.83254%0.539SS*.PPolyproline II helixtrans-77.3118.1167.654.20000109.5
68V61.3Low69.1Low78 Ų7895.8 Ų95.847%0.47353%0.534SS..PPolyproline II helixtrans-90.1131.5178.1-176.50000109V77V68-V77 HydrophobicContact CG1-CG2 4.12Å
69S65.7Low68.6Low49 Ų4989.7 Ų89.734%0.34351%0.509SS..PPolyproline II helixtrans-67.3153.6171.8-174.60000110.4Q71 C72 E76S69-Q71 PolarHBondContact O-N 3.14Å; S69-C72 PolarHBondContact O-N 3.3Å; S69-E76 WeakPolarHBondContact CA-OE2 3.31Å; S69-E76 WeakPolarHBondContact CB-OE1 3.48Å; S69-E76 WeakPolarHBondContact CB-OE2 3.49Å; S69-E76 PolarHBondContact N-OE2 3.23Å
70S68.5Low68.3Low121 Ų12190 Ų9085%0.84651%0.513SS*.THydrogen-bonded Turntrans-61.6-16.5177.5610000113.7C72S70-C72 VanDerWaalsContact C-N 3.31Å
71Q65.4Low68.3Low131 Ų13194.3 Ų94.361%0.61253%0.531SS*.THydrogen-bonded Turntrans-81.8-8.3177-60.2-172.713.100113S69 F73S69-Q71 PolarHBondContact O-N 3.14Å; Q71-F73 VanDerWaalsContact C-N 3.28Å; Q71-F73 HydrophobicContact CB-CD2 3.89Å; Q71-F73 HydrophobicContact CB-CE2 3.56Å; Q71-F73 HydrophobicContact CB-CZ 4.01Å; Q71-F73 HydrophobicContact CG-CE2 4.29Å; Q71-F73 PolarHBondContact O-N 3.43Å
72C65.5Low68.4Low80 Ų8089.8 Ų89.854%0.54150%0.5SS..  trans44.150.5176.9-70.80000113S69 S70S69-C72 PolarHBondContact O-N 3.3Å; S70-C72 VanDerWaalsContact C-N 3.31Å
73F63.2Low68.3Low85 Ų8588.4 Ų88.437%0.37349%0.489SS..  trans-65.6140.3177.2-71.1-68.9000110.8Q71 F75 E76 V77Q71-F73 VanDerWaalsContact C-N 3.28Å; Q71-F73 HydrophobicContact CB-CD2 3.89Å; Q71-F73 HydrophobicContact CB-CE2 3.56Å; Q71-F73 HydrophobicContact CB-CZ 4.01Å; Q71-F73 HydrophobicContact CG-CE2 4.29Å; Q71-F73 PolarHBondContact O-N 3.43Å; F73-F75 HydrophobicContact CB-CD1 3.63Å; F73-F75 HydrophobicContact CB-CD2 4.41Å; F73-F75 HydrophobicContact CB-CE1 3.22Å; F73-F75 HydrophobicContact CB-CE2 4.07Å; F73-F75 HydrophobicContact CB-CG 4.21Å; F73-F75 HydrophobicContact CB-CZ 3.45Å; F73-F75 VanDerWaalsContact CB-CZ 3.45Å; F73-F75 AromaticContact CD1-CE1 3.88Å; F73-F75 HydrophobicContact CD1-CE1 3.88Å; F73-F75 HydrophobicContact CD1-CZ 4.38Å; F73-F75 AromaticContact CD2-CE1 3.99Å; F73-F75 HydrophobicContact CD2-CE1 3.99Å; F73-F75 AromaticContact CD2-CZ 3.64Å; F73-F75 HydrophobicContact CD2-CZ 3.64Å; F73-F75 HydrophobicContact CE2-CZ 4.45Å; F73-F75 HydrophobicContact CG-CD1 4.31Å; F73-F75 AromaticContact CG-CE1 3.45Å; F73-F75 HydrophobicContact CG-CE1 3.45Å; F73-F75 VanDerWaalsContact CG-CE1 3.45Å; F73-F75 AromaticContact CG-CZ 3.59Å; F73-F75 HydrophobicContact CG-CZ 3.59Å; F73-F75 PolarHBondContact O-N 2.77Å; F73-F75 VanDerWaalsContact O-N 3.12Å; F73-E76 HydrophobicContact CB-CG 4.21Å; F73-E76 WeakPolarHBondContact O-CB 3.32Å; F73-E76 PolarHBondContact O-N 2.96Å; F73-V77 PolarHBondContact O-N 2.86Å
74D64Low68.8Low81 Ų8189.2 Ų89.243%0.43349%0.485SS..Hα-helixtrans-56.1-33.7-177-69.9-42.4000112.6E76 V77 F78D74-E76 VanDerWaalsContact C-N 3.26Å; D74-E76 PolarHBondContact O-N 3.26Å; D74-V77 PolarHBondContact O-N 3.44Å; D74-F78 HydrophobicContact CB-CD2 4.31Å; D74-F78 WeakPolarHBondContact O-CD2 3.35Å; D74-F78 PolarHBondContact O-N 3.08Å
75F63.7Low69.6Low122 Ų12283.8 Ų83.854%0.53546%0.459SS..Hα-helixtrans-69.7-19.1177.262.7-100.9000114.2F73F73-F75 HydrophobicContact CB-CD1 3.63Å; F73-F75 HydrophobicContact CB-CD2 4.41Å; F73-F75 HydrophobicContact CB-CE1 3.22Å; F73-F75 HydrophobicContact CB-CE2 4.07Å; F73-F75 HydrophobicContact CB-CG 4.21Å; F73-F75 HydrophobicContact CB-CZ 3.45Å; F73-F75 VanDerWaalsContact CB-CZ 3.45Å; F73-F75 AromaticContact CD1-CE1 3.88Å; F73-F75 HydrophobicContact CD1-CE1 3.88Å; F73-F75 HydrophobicContact CD1-CZ 4.38Å; F73-F75 AromaticContact CD2-CE1 3.99Å; F73-F75 HydrophobicContact CD2-CE1 3.99Å; F73-F75 AromaticContact CD2-CZ 3.64Å; F73-F75 HydrophobicContact CD2-CZ 3.64Å; F73-F75 HydrophobicContact CE2-CZ 4.45Å; F73-F75 HydrophobicContact CG-CD1 4.31Å; F73-F75 AromaticContact CG-CE1 3.45Å; F73-F75 HydrophobicContact CG-CE1 3.45Å; F73-F75 VanDerWaalsContact CG-CE1 3.45Å; F73-F75 AromaticContact CG-CZ 3.59Å; F73-F75 HydrophobicContact CG-CZ 3.59Å; F73-F75 PolarHBondContact O-N 2.77Å; F73-F75 VanDerWaalsContact O-N 3.12Å
76E59.3Low70.6Confident50 Ų5078.7 Ų78.723%0.23442%0.421CS..Hα-helixtrans-88.1-36.7176.3-61.2-178.7-179.300111.4S69 F73 D74S69-E76 WeakPolarHBondContact CA-OE2 3.31Å; S69-E76 WeakPolarHBondContact CB-OE1 3.48Å; S69-E76 WeakPolarHBondContact CB-OE2 3.49Å; S69-E76 PolarHBondContact N-OE2 3.23Å; F73-E76 HydrophobicContact CB-CG 4.21Å; F73-E76 WeakPolarHBondContact O-CB 3.32Å; F73-E76 PolarHBondContact O-N 2.96Å; D74-E76 VanDerWaalsContact C-N 3.26Å; D74-E76 PolarHBondContact O-N 3.26Å
77V67.4Low71.6Confident73 Ų7374.6 Ų74.644%0.44241%0.408SS..Hα-helixtrans-79.8-38-175.7-178.50000111.5V68 F73 D74V68-V77 HydrophobicContact CG1-CG2 4.12Å; F73-V77 PolarHBondContact O-N 2.86Å; D74-V77 PolarHBondContact O-N 3.44Å
78F72.3Confident72.7Confident54 Ų5475.7 Ų75.724%0.23739%0.394CS..SBendtrans-97.9147.4-177.6-65.8-69.6000112.8V57 R66 D74 F82V57-F78 HydrophobicContact CG2-CE1 4.44Å; R66-F78 PolarHBondContact NH1-O 2.84Å; D74-F78 HydrophobicContact CB-CD2 4.31Å; D74-F78 WeakPolarHBondContact O-CD2 3.35Å; D74-F78 PolarHBondContact O-N 3.08Å; F78-F82 HydrophobicContact CB-CD1 3.82Å; F78-F82 HydrophobicContact CB-CE1 4.46Å; F78-F82 HydrophobicContact CB-CG 4.42Å; F78-F82 HydrophobicContact CD1-CD1 4.03Å; F78-F82 HydrophobicContact CD1-CE1 4.05Å; F78-F82 HydrophobicContact CD1-CG 4.48Å; F78-F82 HydrophobicContact CD1-CZ 4.5Å; F78-F82 HydrophobicContact CD2-CE1 4.45Å; F78-F82 HydrophobicContact CE1-CE1 4.44Å; F78-F82 AromaticContact CG-CD1 3.91Å; F78-F82 HydrophobicContact CG-CD1 3.91Å; F78-F82 HydrophobicContact CG-CE1 4.06Å
79P74.8Confident73.9Confident15 Ų1573 Ų7310%0.09738%0.377CS..  trans-64.5147.3172.825.7-30.6000110.6D81 F82 L83P79-D81 PolarHBondContact O-N 3.03Å; P79-F82 HydrophobicContact CG-CB 3.8Å; P79-F82 VanDerWaalsContact O-CB 3.28Å; P79-F82 WeakPolarHBondContact O-CB 3.22Å; P79-F82 PolarHBondContact O-N 3.28Å; P79-L83 PolarHBondContact O-N 2.98Å
80I76.8Confident74.9Confident124 Ų12471 Ų7164%0.63636%0.363SS*.Hα-helixtrans-57.3-38.3-178.1-62.6173.1000110.8F82 L83 L84I80-F82 PolarHBondContact O-N 2.95Å; I80-L83 PolarHBondContact O-N 3.27Å; I80-L83 VanDerWaalsContact O-N 3.13Å; I80-L84 PolarHBondContact O-N 3.32Å
81D77.7Confident75.9Confident110 Ų11065.7 Ų65.759%0.58833%0.326SS*.Hα-helixtrans-59.1-33.7176.9-58.6-45.7000112.7P79 F85P79-D81 PolarHBondContact O-N 3.03Å; D81-F85 VanDerWaalsContact O-CB 3.27Å; D81-F85 WeakPolarHBondContact O-CB 3.39Å; D81-F85 PolarHBondContact O-N 3.41Å
82F80.2Confident77.1Confident9 Ų962.4 Ų62.44%0.03931%0.314CS..Hα-helixtrans-69.2-43.2176.6176.5-88.5000111.8H53 L56 F78 P79 I80 F85 H86H53-F82 HydrophobicContact CB-CE2 4.47Å; H53-F82 AromaticContact CD2-CE2 3.42Å; H53-F82 VanDerWaalsContact CD2-CE2 3.42Å; H53-F82 WeakPolarHBondContact CD2-CE2 3.49Å; H53-F82 AromaticContact CD2-CZ 3.66Å; L56-F82 HydrophobicContact CB-CB 4.48Å; L56-F82 HydrophobicContact CB-CD2 4.03Å; L56-F82 HydrophobicContact CD1-CD2 4.04Å; F78-F82 HydrophobicContact CB-CD1 3.82Å; F78-F82 HydrophobicContact CB-CE1 4.46Å; F78-F82 HydrophobicContact CB-CG 4.42Å; F78-F82 HydrophobicContact CD1-CD1 4.03Å; F78-F82 HydrophobicContact CD1-CE1 4.05Å; F78-F82 HydrophobicContact CD1-CG 4.48Å; F78-F82 HydrophobicContact CD1-CZ 4.5Å; F78-F82 HydrophobicContact CD2-CE1 4.45Å; F78-F82 HydrophobicContact CE1-CE1 4.44Å; F78-F82 AromaticContact CG-CD1 3.91Å; F78-F82 HydrophobicContact CG-CD1 3.91Å; F78-F82 HydrophobicContact CG-CE1 4.06Å; P79-F82 HydrophobicContact CG-CB 3.8Å; P79-F82 VanDerWaalsContact O-CB 3.28Å; P79-F82 WeakPolarHBondContact O-CB 3.22Å; P79-F82 PolarHBondContact O-N 3.28Å; I80-F82 PolarHBondContact O-N 2.95Å; F82-F85 PolarHBondContact O-N 2.83Å; F82-H86 WeakPolarHBondContact O-CB 3.38Å; F82-H86 PolarHBondContact O-N 3.07Å
83L78.3Confident78.3Confident69 Ų6959 Ų5936%0.36129%0.292SS..Hα-helixtrans-65.5-43.2177.7-177.163.3000111P79 I80 H86 Q87P79-L83 PolarHBondContact O-N 2.98Å; I80-L83 PolarHBondContact O-N 3.27Å; I80-L83 VanDerWaalsContact O-N 3.13Å; L83-H86 WeakPolarHBondContact O-CB 3.29Å; L83-H86 PolarHBondContact O-N 3.2Å; L83-Q87 WeakPolarHBondContact O-CG 3.47Å; L83-Q87 PolarHBondContact O-N 3.24Å
84L81.9Confident79.6Confident71 Ų7155.1 Ų55.137%0.37228%0.276SS..Hα-helixtrans-63.1-45.5177.6-167.365.6000110.8I80 H86 Q87 W88I80-L84 PolarHBondContact O-N 3.32Å; L84-H86 VanDerWaalsContact C-N 3.3Å; L84-H86 PolarHBondContact O-N 2.91Å; L84-Q87 PolarHBondContact O-N 3.48Å; L84-W88 PolarHBondContact O-N 3.33Å
85F84.2Confident80.9Confident64 Ų6455.8 Ų55.828%0.28127%0.273SS..Hα-helixtrans-59.7-40174.8176.6-104.1000112.4I52 L56 D81 F82 T89I52-F85 HydrophobicContact CD1-CZ 4.22Å; I52-F85 HydrophobicContact CG2-CD1 4.22Å; I52-F85 HydrophobicContact CG2-CE1 3.66Å; I52-F85 HydrophobicContact CG2-CE2 4.32Å; I52-F85 HydrophobicContact CG2-CZ 3.73Å; L56-F85 HydrophobicContact CD1-CB 4.31Å; L56-F85 HydrophobicContact CD1-CD1 4.04Å; L56-F85 HydrophobicContact CD1-CG 4.25Å; D81-F85 VanDerWaalsContact O-CB 3.27Å; D81-F85 WeakPolarHBondContact O-CB 3.39Å; D81-F85 PolarHBondContact O-N 3.41Å; F82-F85 PolarHBondContact O-N 2.83Å; F85-T89 WeakPolarHBondContact O-CB 3.44Å; F85-T89 PolarHBondContact O-N 2.97Å; F85-T89 PolarHBondContact O-OG1 2.95Å
86H85Confident82.4Confident15 Ų1553.1 Ų53.17%0.06927%0.266CS..Hα-helixtrans-59.4-56.3174179.865.6000111.7E6 K7 F82 L83 L84 W88 T89 V90E6-H86 IonicContact OE2-CE1 2.84Å; E6-H86 PolarHBondContact OE2-CE1 2.7Å; E6-H86 IonicContact OE2-NE2 3.9Å; E6-H86 PolarHBondContact OE2-NE2 2.89Å; K7-H86 WeakPolarHBondContact CE-ND1 3.48Å; F82-H86 WeakPolarHBondContact O-CB 3.38Å; F82-H86 PolarHBondContact O-N 3.07Å; L83-H86 WeakPolarHBondContact O-CB 3.29Å; L83-H86 PolarHBondContact O-N 3.2Å; L84-H86 VanDerWaalsContact C-N 3.3Å; L84-H86 PolarHBondContact O-N 2.91Å; H86-W88 VanDerWaalsContact C-N 3.33Å; H86-W88 PolarHBondContact O-N 3.48Å; H86-T89 PolarHBondContact O-N 3.42Å; H86-T89 VanDerWaalsContact O-N 3.09Å; H86-V90 WeakPolarHBondContact O-CG2 3.5Å; H86-V90 PolarHBondContact O-N 3.23Å
87Q84.4Confident84Confident46 Ų4650.8 Ų50.822%0.21526%0.255CS..Hα-helixtrans-58-45.2-178.4-69.9175.4-17.600111.7L83 L84 T89 V90 V91 L148 L152L83-Q87 WeakPolarHBondContact O-CG 3.47Å; L83-Q87 PolarHBondContact O-N 3.24Å; L84-Q87 PolarHBondContact O-N 3.48Å; Q87-T89 PolarHBondContact O-N 2.86Å; Q87-V90 PolarHBondContact O-N 2.88Å; Q87-V91 WeakPolarHBondContact O-CB 3.4Å; Q87-V91 VanDerWaalsContact O-CG2 3.28Å; Q87-V91 WeakPolarHBondContact O-CG2 3.42Å; Q87-V91 PolarHBondContact O-N 3.23Å; Q87-L148 HydrophobicContact CG-CD1 4.47Å; Q87-L152 HydrophobicContact CB-CD1 4.37Å; Q87-L152 HydrophobicContact CB-CD2 4.22Å
88W87.5Confident85.2Confident142 Ų14249.7 Ų49.754%0.53825%0.246SC..Hα-helixtrans-62.9-40.6176.1-81.6108.9000113L84 H86 T92L84-W88 PolarHBondContact O-N 3.33Å; H86-W88 VanDerWaalsContact C-N 3.33Å; H86-W88 PolarHBondContact O-N 3.48Å; W88-T92 HydrophobicContact CE3-CG2 3.91Å; W88-T92 VanDerWaalsContact O-CB 3.28Å; W88-T92 WeakPolarHBondContact O-CB 3.35Å; W88-T92 WeakPolarHBondContact O-CG2 3.41Å; W88-T92 PolarHBondContact O-N 2.95Å; W88-T92 PolarHBondContact O-OG1 3.39Å
89T86.1Confident86.3Confident22 Ų2252.3 Ų52.314%0.13526%0.262CS..Hα-helixtrans-63.4-46.5179.9-59.40000111.1K7 F85 H86 Q87 T92 A93K7-T89 HydrophobicContact CB-CG2 4.49Å; K7-T89 HydrophobicContact CG-CG2 4.24Å; F85-T89 WeakPolarHBondContact O-CB 3.44Å; F85-T89 PolarHBondContact O-N 2.97Å; F85-T89 PolarHBondContact O-OG1 2.95Å; H86-T89 PolarHBondContact O-N 3.42Å; H86-T89 VanDerWaalsContact O-N 3.09Å; Q87-T89 PolarHBondContact O-N 2.86Å; T89-T92 PolarHBondContact O-OG1 3.31Å; T89-A93 WeakPolarHBondContact O-CB 3.37Å; T89-A93 PolarHBondContact O-N 2.88Å
90V86.8Confident87.2Confident8 Ų853 Ų535%0.04827%0.265CS..Hα-helixtrans-75.2-28.3-176.6-166.30000112E6 K7 S10 H86 Q87 P94 Y144E6-V90 HydrophobicContact CB-CG2 4.27Å; K7-V90 HydrophobicContact CG-CG2 4.43Å; S10-V90 WeakPolarHBondContact OG-CG1 3.27Å; H86-V90 WeakPolarHBondContact O-CG2 3.5Å; H86-V90 PolarHBondContact O-N 3.23Å; Q87-V90 PolarHBondContact O-N 2.88Å; V90-P94 WeakPolarHBondContact O-CD 3.31Å; V90-P94 WeakPolarHBondContact O-CG 3.27Å; V90-Y144 HydrophobicContact CB-CE1 3.94Å; V90-Y144 HydrophobicContact CG1-CD1 3.8Å; V90-Y144 HydrophobicContact CG1-CE1 3.11Å
91V89.4Confident87.9Confident8 Ų847.5 Ų47.55%0.04824%0.236CC..Hα-helixtrans-74.1-51.4172.3170.40000111.5Q87 A93 P94 Y95 L148 S149 L152Q87-V91 WeakPolarHBondContact O-CB 3.4Å; Q87-V91 VanDerWaalsContact O-CG2 3.28Å; Q87-V91 WeakPolarHBondContact O-CG2 3.42Å; Q87-V91 PolarHBondContact O-N 3.23Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.37Å; V91-P94 WeakPolarHBondContact O-CD 3.28Å; V91-Y95 HydrophobicContact CG1-CD2 4.03Å; V91-Y95 HydrophobicContact CG1-CE2 3.89Å; V91-Y95 VanDerWaalsContact O-CD2 3.28Å; V91-Y95 WeakPolarHBondContact O-CD2 3.5Å; V91-L148 HydrophobicContact CG2-CB 3.95Å; V91-L148 HydrophobicContact CG2-CD2 3.49Å; V91-L148 VanDerWaalsContact CG2-CD2 3.49Å; V91-L148 HydrophobicContact CG2-CG 3.57Å; V91-S149 WeakPolarHBondContact CG1-OG 3.43Å; V91-L152 HydrophobicContact CG2-CD1 3.86Å
92T89.8Confident88.7Confident62 Ų6247.7 Ų47.738%0.3824%0.235SC..Hα-helixtrans-65.5-34.3-171.352.80000113.3W88 T89 Y95 V96W88-T92 HydrophobicContact CE3-CG2 3.91Å; W88-T92 VanDerWaalsContact O-CB 3.28Å; W88-T92 WeakPolarHBondContact O-CB 3.35Å; W88-T92 WeakPolarHBondContact O-CG2 3.41Å; W88-T92 PolarHBondContact O-N 2.95Å; W88-T92 PolarHBondContact O-OG1 3.39Å; T89-T92 PolarHBondContact O-OG1 3.31Å; T92-Y95 PolarHBondContact O-N 3.43Å; T92-V96 WeakPolarHBondContact O-CG2 3.48Å; T92-V96 PolarHBondContact O-N 3.2Å
93A91.3Very high89.3Confident8 Ų850.8 Ų50.87%0.06625%0.254CS..Hα-helixtrans-60.9-51.1-176.900000114.2S10 V14 T89 V91 Y95 V96 S97S10-A93 WeakPolarHBondContact O-CB 3.47Å; V14-A93 HydrophobicContact CG2-CB 3.63Å; T89-A93 WeakPolarHBondContact O-CB 3.37Å; T89-A93 PolarHBondContact O-N 2.88Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.37Å; A93-Y95 VanDerWaalsContact C-N 3.33Å; A93-Y95 PolarHBondContact O-N 2.86Å; A93-V96 PolarHBondContact O-N 3.16Å; A93-S97 WeakPolarHBondContact O-CB 3.17Å; A93-S97 PolarHBondContact O-N 3.31Å; A93-S97 PolarHBondContact O-OG 3.33Å
94P90.2Very high90Very high5 Ų547.5 Ų47.53%0.03224%0.237CC..Hα-helixtrans-56.8-39.8170.8-29.736.5000114V90 V91 S97 I98 F141 A145V90-P94 WeakPolarHBondContact O-CD 3.31Å; V90-P94 WeakPolarHBondContact O-CG 3.27Å; V91-P94 WeakPolarHBondContact O-CD 3.28Å; P94-S97 PolarHBondContact O-N 3.32Å; P94-I98 WeakPolarHBondContact O-CG1 3.36Å; P94-I98 PolarHBondContact O-N 3.19Å; P94-F141 HydrophobicContact CB-CB 4.47Å; P94-F141 HydrophobicContact CB-CD2 4.35Å; P94-A145 HydrophobicContact CB-CB 3.91Å; P94-A145 HydrophobicContact CG-CB 3.99Å
95Y92.6Very high90.5Very high95 Ų9548 Ų4837%0.37324%0.235SC..Hα-helixtrans-63.3-49.9177-86.6-93.4000112.1V91 T92 A93 S97 I98 I99 F141 A145 S149V91-Y95 HydrophobicContact CG1-CD2 4.03Å; V91-Y95 HydrophobicContact CG1-CE2 3.89Å; V91-Y95 VanDerWaalsContact O-CD2 3.28Å; V91-Y95 WeakPolarHBondContact O-CD2 3.5Å; T92-Y95 PolarHBondContact O-N 3.43Å; A93-Y95 VanDerWaalsContact C-N 3.33Å; A93-Y95 PolarHBondContact O-N 2.86Å; Y95-S97 PolarHBondContact O-N 2.75Å; Y95-I98 PolarHBondContact O-N 3.3Å; Y95-I99 WeakPolarHBondContact O-CG1 3.41Å; Y95-I99 PolarHBondContact O-N 2.88Å; Y95-I99 VanDerWaalsContact O-N 3.08Å; Y95-F141 AromaticContact CD1-CE2 3.94Å; Y95-F141 HydrophobicContact CD1-CE2 3.94Å; Y95-F141 HydrophobicContact CD2-CD2 4.31Å; Y95-F141 AromaticContact CD2-CE2 3.82Å; Y95-F141 HydrophobicContact CD2-CE2 3.82Å; Y95-F141 AromaticContact CE1-CE2 3.65Å; Y95-F141 HydrophobicContact CE1-CE2 3.65Å; Y95-F141 HydrophobicContact CE1-CZ 4.03Å; Y95-F141 HydrophobicContact CE2-CD2 4.26Å; Y95-F141 AromaticContact CE2-CE2 3.53Å; Y95-F141 HydrophobicContact CE2-CE2 3.53Å; Y95-F141 HydrophobicContact CE2-CZ 4.4Å; Y95-F141 HydrophobicContact CG-CE2 4.03Å; Y95-F141 AromaticContact CZ-CE2 3.45Å; Y95-F141 VanDerWaalsContact CZ-CE2 3.45Å; Y95-F141 AromaticContact CZ-CZ 3.91Å; Y95-A145 HydrophobicContact CE2-CB 4.5Å; Y95-S149 WeakPolarHBondContact CE2-OG 3.47Å
96V94.1Very high91Very high66 Ų6648.2 Ų48.240%0.424%0.244SC..Hα-helixtrans-56.9-42.4175.2170.90000110.2V14 T92 A93 I99 L100V14-V96 HydrophobicContact CG1-CG1 4.28Å; T92-V96 WeakPolarHBondContact O-CG2 3.48Å; T92-V96 PolarHBondContact O-N 3.2Å; A93-V96 PolarHBondContact O-N 3.16Å; V96-I99 PolarHBondContact O-N 3.41Å; V96-L100 HydrophobicContact CG1-CD1 4.12Å; V96-L100 HydrophobicContact CG1-CG 4.44Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 3.46Å
97S93.1Very high91.3Very high0 Ų050 Ų500%025%0.25CS..Hα-helixtrans-65.2-42.1179.7-57.70000112.2I13 A93 P94 Y95 I99 L100 Y101I13-S97 WeakPolarHBondContact CG2-OG 3.48Å; A93-S97 WeakPolarHBondContact O-CB 3.17Å; A93-S97 PolarHBondContact O-N 3.31Å; A93-S97 PolarHBondContact O-OG 3.33Å; P94-S97 PolarHBondContact O-N 3.32Å; Y95-S97 PolarHBondContact O-N 2.75Å; S97-I99 VanDerWaalsContact C-N 3.33Å; S97-I99 PolarHBondContact O-N 3.31Å; S97-L100 PolarHBondContact O-N 2.94Å; S97-Y101 WeakPolarHBondContact O-CD2 3.31Å; S97-Y101 PolarHBondContact O-N 3.42Å
98I93.2Very high91.5Very high50 Ų5049.3 Ų49.326%0.25625%0.248SC..Hα-helixtrans-59-45.9173.7-73.8174.4000110.9P94 Y95 L100 Y101 M102 I137 F141P94-I98 WeakPolarHBondContact O-CG1 3.36Å; P94-I98 PolarHBondContact O-N 3.19Å; Y95-I98 PolarHBondContact O-N 3.3Å; I98-L100 VanDerWaalsContact C-N 3.35Å; I98-L100 PolarHBondContact O-N 3.41Å; I98-Y101 PolarHBondContact O-N 2.88Å; I98-Y101 VanDerWaalsContact O-N 3.14Å; I98-M102 HydrophobicContact CG2-CG 4.29Å; I98-M102 WeakPolarHBondContact O-CG 3.28Å; I98-M102 PolarHBondContact O-N 2.67Å; I98-I137 HydrophobicContact CG1-CG2 3.73Å; I98-F141 HydrophobicContact CD1-CB 3.69Å; I98-F141 HydrophobicContact CD1-CD1 3.76Å; I98-F141 HydrophobicContact CD1-CD2 3.32Å; I98-F141 HydrophobicContact CD1-CE1 4.18Å; I98-F141 HydrophobicContact CD1-CE2 3.77Å; I98-F141 HydrophobicContact CD1-CG 3.3Å; I98-F141 HydrophobicContact CD1-CZ 4.18Å
99I94.1Very high91.6Very high109 Ų10951.9 Ų51.956%0.55926%0.258SS*.Hα-helixtrans-59.7-46.9179-65.6166.9000110.5Y95 V96 S97 Y101 M102 V103Y95-I99 WeakPolarHBondContact O-CG1 3.41Å; Y95-I99 PolarHBondContact O-N 2.88Å; Y95-I99 VanDerWaalsContact O-N 3.08Å; V96-I99 PolarHBondContact O-N 3.41Å; S97-I99 VanDerWaalsContact C-N 3.33Å; S97-I99 PolarHBondContact O-N 3.31Å; I99-Y101 VanDerWaalsContact C-N 3.28Å; I99-Y101 PolarHBondContact O-N 2.84Å; I99-M102 PolarHBondContact O-N 2.91Å; I99-V103 WeakPolarHBondContact O-CG2 3.42Å; I99-V103 PolarHBondContact O-N 3.23Å
100L93.7Very high91.8Very high30 Ų3055.2 Ų55.216%0.15728%0.28CS..Hα-helixtrans-56.8-43.2175.8-69.7171.8000111.5V18 L21 V96 S97 I98 V103 I104V18-L100 HydrophobicContact CG2-CD1 3.86Å; L21-L100 HydrophobicContact CD2-CD2 3.86Å; V96-L100 HydrophobicContact CG1-CD1 4.12Å; V96-L100 HydrophobicContact CG1-CG 4.44Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 3.46Å; S97-L100 PolarHBondContact O-N 2.94Å; I98-L100 VanDerWaalsContact C-N 3.35Å; I98-L100 PolarHBondContact O-N 3.41Å; L100-V103 WeakPolarHBondContact O-CB 3.35Å; L100-V103 PolarHBondContact O-N 3.08Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.23Å; L100-I104 PolarHBondContact O-N 2.95Å
101Y92.1Very high91.8Very high8 Ų856.8 Ų56.83%0.03129%0.289CS..Hα-helixtrans-68.8-38.4179.9-86.4-115.6000112.4S97 I98 I99 V103 I104 Y105 L130 L133 T134 I137S97-Y101 WeakPolarHBondContact O-CD2 3.31Å; S97-Y101 PolarHBondContact O-N 3.42Å; I98-Y101 PolarHBondContact O-N 2.88Å; I98-Y101 VanDerWaalsContact O-N 3.14Å; I99-Y101 VanDerWaalsContact C-N 3.28Å; I99-Y101 PolarHBondContact O-N 2.84Å; Y101-V103 VanDerWaalsContact C-N 3.32Å; Y101-V103 PolarHBondContact O-N 3.12Å; Y101-I104 PolarHBondContact O-N 3.25Å; Y101-Y105 HydrophobicContact CD1-CE2 4.3Å; Y101-Y105 WeakPolarHBondContact O-CD2 3.47Å; Y101-Y105 PolarHBondContact O-N 3Å; Y101-L130 HydrophobicContact CD1-CD1 3.67Å; Y101-L130 HydrophobicContact CD1-CG 4.21Å; Y101-L130 HydrophobicContact CE1-CD1 3.26Å; Y101-L130 HydrophobicContact CE1-CG 3.94Å; Y101-L133 HydrophobicContact CE1-CB 3.99Å; Y101-L133 WeakPolarHBondContact OH-CB 3.42Å; Y101-L133 VanDerWaalsContact OH-CD1 3.25Å; Y101-L133 WeakPolarHBondContact OH-CD1 3.46Å; Y101-T134 VanDerWaalsContact CD1-OG1 3.24Å; Y101-T134 WeakPolarHBondContact CD1-OG1 3.24Å; Y101-T134 WeakPolarHBondContact CE1-OG1 3.41Å; Y101-I137 HydrophobicContact CD1-CD1 4.3Å; Y101-I137 HydrophobicContact CD2-CD1 3.71Å; Y101-I137 HydrophobicContact CE1-CD1 3.88Å; Y101-I137 HydrophobicContact CE2-CD1 3.19Å; Y101-I137 HydrophobicContact CG-CD1 4.23Å
102M93.9Very high91.4Very high115 Ų11566 Ų6657%0.56732%0.323SS*.Hα-helixtrans-59.3-45.4172.6-69.8-58.4-66.800110.8I98 I99 I104 Y105 S106I98-M102 HydrophobicContact CG2-CG 4.29Å; I98-M102 WeakPolarHBondContact O-CG 3.28Å; I98-M102 PolarHBondContact O-N 2.67Å; I99-M102 PolarHBondContact O-N 2.91Å; M102-I104 VanDerWaalsContact C-N 3.35Å; M102-I104 PolarHBondContact O-N 2.84Å; M102-Y105 PolarHBondContact O-N 3.22Å; M102-S106 WeakPolarHBondContact O-CB 3.19Å; M102-S106 PolarHBondContact O-N 3.23Å; M102-S106 PolarHBondContact O-OG 3.22Å; M102-S106 VanDerWaalsContact O-OG 3.05Å
103V94.4Very high90.8Very high74 Ų7467.9 Ų67.945%0.44834%0.338SS..Hα-helixtrans-59.1-44.9175.1173.30000111.5L21 I99 L100 Y101 S106 Y107L21-V103 HydrophobicContact CD1-CG1 4.02Å; I99-V103 WeakPolarHBondContact O-CG2 3.42Å; I99-V103 PolarHBondContact O-N 3.23Å; L100-V103 WeakPolarHBondContact O-CB 3.35Å; L100-V103 PolarHBondContact O-N 3.08Å; Y101-V103 VanDerWaalsContact C-N 3.32Å; Y101-V103 PolarHBondContact O-N 3.12Å; V103-S106 PolarHBondContact O-N 3.48Å; V103-Y107 WeakPolarHBondContact O-CB 3Å; V103-Y107 PolarHBondContact O-N 2.78Å
104I92.6Very high90.1Very high0 Ų073.1 Ų73.10%037%0.365CS..Hα-helixtrans-60.4-48.1176.7-67.7167000111R20 L21 I24 L100 Y101 M102 Y107 L108 L130R20-I104 HydrophobicContact CB-CD1 4.1Å; L21-I104 HydrophobicContact CB-CD1 4.03Å; L21-I104 HydrophobicContact CB-CG1 4.11Å; L21-I104 HydrophobicContact CD1-CD1 4.44Å; L21-I104 HydrophobicContact CD1-CG1 3.61Å; L21-I104 HydrophobicContact CG-CG1 4.49Å; I24-I104 HydrophobicContact CD1-CG2 3.41Å; I24-I104 VanDerWaalsContact CD1-CG2 3.41Å; I24-I104 HydrophobicContact CG2-CG2 4.34Å; L100-I104 VanDerWaalsContact O-CG1 3.28Å; L100-I104 WeakPolarHBondContact O-CG1 3.23Å; L100-I104 PolarHBondContact O-N 2.95Å; Y101-I104 PolarHBondContact O-N 3.25Å; M102-I104 VanDerWaalsContact C-N 3.35Å; M102-I104 PolarHBondContact O-N 2.84Å; I104-Y107 PolarHBondContact O-N 2.91Å; I104-L108 HydrophobicContact CG2-CD1 4Å; I104-L108 HydrophobicContact CG2-CG 4.41Å; I104-L108 WeakPolarHBondContact O-CG 3.3Å; I104-L108 PolarHBondContact O-N 2.86Å; I104-L130 HydrophobicContact CD1-CD1 4.08Å; I104-L130 HydrophobicContact CG2-CD1 4.05Å; I104-L130 HydrophobicContact CG2-CD2 3.57Å; I104-L130 HydrophobicContact CG2-CG 4.49Å
105Y92.7Very high89.3Confident82 Ų8275.1 Ų75.132%0.32237%0.374SS..Hα-helixtrans-65-40.8-179.7-81.5-62.6000112.2Y101 M102 Y107 L108 W109 L130 T134Y101-Y105 HydrophobicContact CD1-CE2 4.3Å; Y101-Y105 WeakPolarHBondContact O-CD2 3.47Å; Y101-Y105 PolarHBondContact O-N 3Å; M102-Y105 PolarHBondContact O-N 3.22Å; Y105-Y107 VanDerWaalsContact C-N 3.35Å; Y105-L108 HydrophobicContact CD1-CD1 4.47Å; Y105-L108 PolarHBondContact O-N 3.4Å; Y105-W109 WeakPolarHBondContact O-CB 3.35Å; Y105-W109 PolarHBondContact O-N 2.89Å; Y105-L130 HydrophobicContact CD1-CD2 4.31Å; Y105-L130 HydrophobicContact CE1-CD2 3.82Å; Y105-L130 HydrophobicContact CE2-CD2 4.27Å; Y105-T134 HydrophobicContact CE2-CG2 4.01Å; Y105-T134 PolarHBondContact OH-OG1 2.87Å
106S93.4Very high88.5Confident67 Ų6775.3 Ų75.347%0.46939%0.388SS..Hα-helixtrans-59.5-45.4173.4-65.60000111.3M102 V103 W109 C110M102-S106 WeakPolarHBondContact O-CB 3.19Å; M102-S106 PolarHBondContact O-N 3.23Å; M102-S106 PolarHBondContact O-OG 3.22Å; M102-S106 VanDerWaalsContact O-OG 3.05Å; V103-S106 PolarHBondContact O-N 3.48Å; S106-W109 WeakPolarHBondContact O-CB 3.47Å; S106-W109 PolarHBondContact O-N 3.32Å; S106-C110 PolarHBondContact O-N 2.94Å; S106-C110 PolarHBondContact O-SG 3.02Å
107Y91.2Very high87.9Confident53 Ų5377.5 Ų77.521%0.20840%0.402CS..Hα-helixtrans-60.5-47.1175.7179.8-91.4000112.2I24 V25 V103 I104 Y105 W109 C110 N111 R119 M123I24-Y107 HydrophobicContact CG2-CD1 3.75Å; I24-Y107 HydrophobicContact CG2-CE1 4.05Å; V25-Y107 HydrophobicContact CG1-CE2 4.32Å; V25-Y107 HydrophobicContact CG2-CD1 4.29Å; V25-Y107 HydrophobicContact CG2-CD2 4.23Å; V25-Y107 HydrophobicContact CG2-CG 4.09Å; V103-Y107 WeakPolarHBondContact O-CB 3Å; V103-Y107 PolarHBondContact O-N 2.78Å; I104-Y107 PolarHBondContact O-N 2.91Å; Y105-Y107 VanDerWaalsContact C-N 3.35Å; Y107-W109 VanDerWaalsContact C-N 3.25Å; Y107-W109 PolarHBondContact O-N 3.44Å; Y107-C110 PolarHBondContact O-N 3.48Å; Y107-N111 HydrophobicContact CE1-CB 4.45Å; Y107-N111 VanDerWaalsContact CZ-ND2 3.31Å; Y107-N111 WeakPolarHBondContact O-CB 3.42Å; Y107-N111 PolarHBondContact O-N 3.23Å; Y107-N111 PolarHBondContact OH-ND2 3.35Å; Y107-R119 PolarHBondContact OH-NH2 3Å; Y107-M123 HydrophobicContact CE1-CE 4.4Å
108L90Very high87.2Confident32 Ų3283.8 Ų83.817%0.16843%0.434CS..Hα-helixtrans-61.1-35.8177.6-72.3173.2000112.3I24 I104 Y105 R112 M123 V127 L130I24-L108 HydrophobicContact CG2-CD2 3.79Å; I24-L108 HydrophobicContact CG2-CG 4.13Å; I104-L108 HydrophobicContact CG2-CD1 4Å; I104-L108 HydrophobicContact CG2-CG 4.41Å; I104-L108 WeakPolarHBondContact O-CG 3.3Å; I104-L108 PolarHBondContact O-N 2.86Å; Y105-L108 HydrophobicContact CD1-CD1 4.47Å; Y105-L108 PolarHBondContact O-N 3.4Å; L108-R112 PolarHBondContact O-N 2.87Å; L108-M123 HydrophobicContact CD2-CE 3.48Å; L108-M123 VanDerWaalsContact CD2-CE 3.48Å; L108-M123 HydrophobicContact CD2-SD 4.34Å; L108-V127 HydrophobicContact CD1-CG2 4.01Å; L108-V127 HydrophobicContact CD2-CG2 4.37Å; L108-L130 HydrophobicContact CD1-CD2 3.88Å
109W89.5Confident86.6Confident196 Ų19685 Ų8574%0.74244%0.436SS*.Hα-helixtrans-67.5-47.9176.3-174.6-91.4000111.5Y105 S106 Y107 N111Y105-W109 WeakPolarHBondContact O-CB 3.35Å; Y105-W109 PolarHBondContact O-N 2.89Å; S106-W109 WeakPolarHBondContact O-CB 3.47Å; S106-W109 PolarHBondContact O-N 3.32Å; Y107-W109 VanDerWaalsContact C-N 3.25Å; Y107-W109 PolarHBondContact O-N 3.44Å; W109-N111 VanDerWaalsContact C-N 3.33Å; W109-N111 PolarHBondContact O-N 3.18Å
110C90Very high86.1Confident91 Ų9181.5 Ų81.562%0.61542%0.421SS*.Hα-helixtrans-63.7-35.4179.3-68.60000113S106 Y107S106-C110 PolarHBondContact O-N 2.94Å; S106-C110 PolarHBondContact O-SG 3.02Å; Y107-C110 PolarHBondContact O-N 3.48Å
111N85.8Confident85.6Confident42 Ų4284.2 Ų84.223%0.22543%0.434CS..THydrogen-bonded Turntrans-10010.9-172.5-73.729.5000114.3Y107 W109 S113 N114Y107-N111 HydrophobicContact CE1-CB 4.45Å; Y107-N111 VanDerWaalsContact CZ-ND2 3.31Å; Y107-N111 WeakPolarHBondContact O-CB 3.42Å; Y107-N111 PolarHBondContact O-N 3.23Å; Y107-N111 PolarHBondContact OH-ND2 3.35Å; W109-N111 VanDerWaalsContact C-N 3.33Å; W109-N111 PolarHBondContact O-N 3.18Å; N111-S113 PolarHBondContact O-N 2.68Å; N111-N114 PolarHBondContact O-N 2.89Å
112R81.9Confident85.2Confident201 Ų20188.2 Ų88.276%0.75845%0.453SS*.THydrogen-bonded Turntrans-55.8-30-173-174175175.2178.2-2.5114.6L108L108-R112 PolarHBondContact O-N 2.87Å
113S77.6Confident84.8Confident101 Ų10184 Ų8471%0.70643%0.433SS*.THydrogen-bonded Turntrans-93.3-14.1-174.255.10000115.4N111N111-S113 PolarHBondContact O-N 2.68Å
114N76.5Confident84.4Confident118 Ų11887.3 Ų87.363%0.63144%0.441SS*.  trans-104.310.7-158.8-67.7-8.5000114.9N111N111-N114 PolarHBondContact O-N 2.89Å
115E72.6Confident84.1Confident47 Ų4795.5 Ų95.522%0.2247%0.472CS..  trans-101.7130.2-165-61.8-61.1172.100115R119E115-R119 IonicContact OE1-CZ 2.92Å; E115-R119 IonicContact OE1-NE 3.43Å; E115-R119 PolarHBondContact OE1-NE 3.39Å; E115-R119 IonicContact OE1-NH1 2.92Å; E115-R119 PolarHBondContact OE1-NH1 3.4Å; E115-R119 IonicContact OE1-NH2 3.23Å; E115-R119 PolarHBondContact OE1-NH2 2.9Å; E115-R119 WeakPolarHBondContact OE2-CD 3.43Å; E115-R119 WeakPolarHBondContact OE2-CG 3.29Å; E115-R119 IonicContact OE2-CZ 3.04Å; E115-R119 IonicContact OE2-NE 3Å; E115-R119 PolarHBondContact OE2-NE 2.92Å; E115-R119 IonicContact OE2-NH1 2.73Å; E115-R119 PolarHBondContact OE2-NH1 3.38Å
116C76.7Confident83.8Confident99 Ų9993.4 Ų93.467%0.66947%0.465SS*.  trans-61.2156.6172.2-60.40000112.2I118 R119 S120C116-I118 PolarHBondContact O-N 3.43Å; C116-R119 PolarHBondContact O-N 3.32Å; C116-R119 VanDerWaalsContact O-N 3.07Å; C116-S120 PolarHBondContact O-N 3.36Å
117T80.8Confident83.6Confident112 Ų11292.3 Ų92.369%0.68746%0.455SS*.Hα-helixtrans-52.1-46.2-176-47.50000113.7S120 I121T117-S120 PolarHBondContact O-N 2.91Å; T117-S120 PolarHBondContact O-OG 2.86Å; T117-I121 PolarHBondContact O-N 3.44Å
118I78.4Confident83.4Confident132 Ų13295.2 Ų95.268%0.67747%0.471SS*.Hα-helixtrans-65.3-46179.4-61.8175.5000111C116 S120 I121 Q122C116-I118 PolarHBondContact O-N 3.43Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 3.24Å; I118-I121 PolarHBondContact O-N 3.42Å; I118-I121 VanDerWaalsContact O-N 3.14Å; I118-Q122 PolarHBondContact O-N 2.86Å
119R80.3Confident83.2Confident77 Ų7796.3 Ų96.329%0.29148%0.479SS..Hα-helixtrans-63.4-36.6178.3-174.2153.9170.7-140.67.7111.3Y107 E115 C116 I121 Q122 M123Y107-R119 PolarHBondContact OH-NH2 3Å; E115-R119 IonicContact OE1-CZ 2.92Å; E115-R119 IonicContact OE1-NE 3.43Å; E115-R119 PolarHBondContact OE1-NE 3.39Å; E115-R119 IonicContact OE1-NH1 2.92Å; E115-R119 PolarHBondContact OE1-NH1 3.4Å; E115-R119 IonicContact OE1-NH2 3.23Å; E115-R119 PolarHBondContact OE1-NH2 2.9Å; E115-R119 WeakPolarHBondContact OE2-CD 3.43Å; E115-R119 WeakPolarHBondContact OE2-CG 3.29Å; E115-R119 IonicContact OE2-CZ 3.04Å; E115-R119 IonicContact OE2-NE 3Å; E115-R119 PolarHBondContact OE2-NE 2.92Å; E115-R119 IonicContact OE2-NH1 2.73Å; E115-R119 PolarHBondContact OE2-NH1 3.38Å; C116-R119 PolarHBondContact O-N 3.32Å; C116-R119 VanDerWaalsContact O-N 3.07Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.43Å; R119-Q122 PolarHBondContact O-N 3.28Å; R119-M123 HydrophobicContact CG-CG 4.11Å; R119-M123 WeakPolarHBondContact O-CB 3.29Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 2.87Å
120S83.2Confident83.2Confident35 Ų3587 Ų8725%0.24544%0.443CS..Hα-helixtrans-60.4-35.6174.8850000113C116 T117 I118 K124C116-S120 PolarHBondContact O-N 3.36Å; T117-S120 PolarHBondContact O-N 2.91Å; T117-S120 PolarHBondContact O-OG 2.86Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 3.24Å; S120-K124 WeakPolarHBondContact O-CB 2.9Å; S120-K124 VanDerWaalsContact O-CG 3.28Å; S120-K124 WeakPolarHBondContact O-CG 3.45Å; S120-K124 PolarHBondContact O-N 2.84Å
121I83.8Confident83.1Confident86 Ų8688.6 Ų88.644%0.44144%0.44SS..Hα-helixtrans-72.3-44.5178.7-65.1168.1000110.7T117 I118 R119 K124 R125T117-I121 PolarHBondContact O-N 3.44Å; I118-I121 PolarHBondContact O-N 3.42Å; I118-I121 VanDerWaalsContact O-N 3.14Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.43Å; I121-K124 PolarHBondContact O-N 2.96Å; I121-R125 PolarHBondContact O-N 3.22Å
122Q84.9Confident83.2Confident93 Ų9391.9 Ų91.944%0.43545%0.449SS..Hα-helixtrans-60.8-48.6175.8-68.6179.2-55.100110.4I118 R119 K124 R125 E126I118-Q122 PolarHBondContact O-N 2.86Å; R119-Q122 PolarHBondContact O-N 3.28Å; Q122-K124 VanDerWaalsContact C-N 3.3Å; Q122-K124 PolarHBondContact O-N 2.83Å; Q122-R125 WeakPolarHBondContact O-CB 3.4Å; Q122-R125 PolarHBondContact O-N 2.93Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 3.36Å
123M84.2Confident83.5Confident26 Ų2683.5 Ų83.513%0.12842%0.419CS..Hα-helixtrans-58.6-38.7177.4-69.1-71.4-103.300112.3I24 Y107 L108 R119 R125 E126 V127I24-M123 HydrophobicContact CG2-CE 4.05Å; I24-M123 HydrophobicContact CG2-SD 4.26Å; Y107-M123 HydrophobicContact CE1-CE 4.4Å; L108-M123 HydrophobicContact CD2-CE 3.48Å; L108-M123 VanDerWaalsContact CD2-CE 3.48Å; L108-M123 HydrophobicContact CD2-SD 4.34Å; R119-M123 HydrophobicContact CG-CG 4.11Å; R119-M123 WeakPolarHBondContact O-CB 3.29Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 2.87Å; M123-R125 VanDerWaalsContact C-N 3.32Å; M123-R125 PolarHBondContact O-N 3.19Å; M123-E126 PolarHBondContact O-N 2.73Å; M123-V127 WeakPolarHBondContact O-CB 3.25Å; M123-V127 VanDerWaalsContact O-CG2 3.23Å; M123-V127 WeakPolarHBondContact O-CG2 3.17Å; M123-V127 PolarHBondContact O-N 2.98Å
124K86.8Confident84.1Confident144 Ų14480.1 Ų80.163%0.62640%0.395SS*.Hα-helixtrans-60.1-39.3174.9-81.5174.2-177177.10112.9S120 I121 Q122 Q128S120-K124 WeakPolarHBondContact O-CB 2.9Å; S120-K124 VanDerWaalsContact O-CG 3.28Å; S120-K124 WeakPolarHBondContact O-CG 3.45Å; S120-K124 PolarHBondContact O-N 2.84Å; I121-K124 PolarHBondContact O-N 2.96Å; Q122-K124 VanDerWaalsContact C-N 3.3Å; Q122-K124 PolarHBondContact O-N 2.83Å; K124-Q128 WeakPolarHBondContact O-CG 3.39Å; K124-Q128 PolarHBondContact O-N 2.93Å
125R85.9Confident84.6Confident171 Ų17179.6 Ų79.665%0.64539%0.387SS*.Hα-helixtrans-69.2-45.3176.7-65.5-179.7-175-179.81.8110.7I121 Q122 M123 V127 Q128 V129I121-R125 PolarHBondContact O-N 3.22Å; Q122-R125 WeakPolarHBondContact O-CB 3.4Å; Q122-R125 PolarHBondContact O-N 2.93Å; M123-R125 VanDerWaalsContact C-N 3.32Å; M123-R125 PolarHBondContact O-N 3.19Å; R125-V127 PolarHBondContact O-N 3.47Å; R125-Q128 WeakPolarHBondContact O-CB 3.44Å; R125-Q128 PolarHBondContact O-N 2.92Å; R125-Q128 VanDerWaalsContact O-N 3.15Å; R125-V129 PolarHBondContact O-N 3.47Å
126E87Confident85.3Confident39 Ų3979.3 Ų79.318%0.18239%0.387CS..Hα-helixtrans-60.5-43.1178.6-70.2-57.1142.500112.4R20 I24 Q122 M123 Q128 V129 L130R20-E126 IonicContact CZ-OE2 3.14Å; R20-E126 IonicContact NE-OE2 2.56Å; R20-E126 IonicContact NH1-OE1 3.04Å; R20-E126 PolarHBondContact NH1-OE1 3.45Å; R20-E126 VanDerWaalsContact NH1-OE1 3.14Å; R20-E126 IonicContact NH1-OE2 3.44Å; R20-E126 PolarHBondContact NH1-OE2 3.06Å; I24-E126 HydrophobicContact CG1-CB 4.25Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 3.36Å; M123-E126 PolarHBondContact O-N 2.73Å; E126-Q128 VanDerWaalsContact C-N 3.31Å; E126-Q128 PolarHBondContact O-N 3Å; E126-V129 PolarHBondContact O-N 2.97Å; E126-L130 WeakPolarHBondContact O-CB 3.41Å; E126-L130 PolarHBondContact O-N 3.09Å
127V88Confident85.9Confident43 Ų4374.9 Ų74.926%0.26136%0.356SS..Hα-helixtrans-63.3-34.8175.8169.60000112.2L108 M123 R125 K131L108-V127 HydrophobicContact CD1-CG2 4.01Å; L108-V127 HydrophobicContact CD2-CG2 4.37Å; M123-V127 WeakPolarHBondContact O-CB 3.25Å; M123-V127 VanDerWaalsContact O-CG2 3.23Å; M123-V127 WeakPolarHBondContact O-CG2 3.17Å; M123-V127 PolarHBondContact O-N 2.98Å; R125-V127 PolarHBondContact O-N 3.47Å; V127-K131 WeakPolarHBondContact O-CG 3.27Å; V127-K131 PolarHBondContact O-N 3.46Å
128Q87.4Confident86.2Confident114 Ų11472.2 Ų72.253%0.53334%0.34SS..Hα-helixtrans-67.3-39175.6-74.2-179.4-1.600112K124 R125 E126K124-Q128 WeakPolarHBondContact O-CG 3.39Å; K124-Q128 PolarHBondContact O-N 2.93Å; R125-Q128 WeakPolarHBondContact O-CB 3.44Å; R125-Q128 PolarHBondContact O-N 2.92Å; R125-Q128 VanDerWaalsContact O-N 3.15Å; E126-Q128 VanDerWaalsContact C-N 3.31Å; E126-Q128 PolarHBondContact O-N 3Å
129V87.1Confident86.6Confident56 Ų5666.3 Ų66.334%0.33931%0.31SS..Hα-helixtrans-68-46.6174.5178.40000110R125 E126 K131 R132 L133R125-V129 PolarHBondContact O-N 3.47Å; E126-V129 PolarHBondContact O-N 2.97Å; V129-K131 VanDerWaalsContact C-N 3.32Å; V129-K131 PolarHBondContact O-N 3.45Å; V129-R132 WeakPolarHBondContact O-CB 3.36Å; V129-R132 PolarHBondContact O-N 3.04Å; V129-L133 HydrophobicContact CG1-CD1 3.98Å; V129-L133 HydrophobicContact CG1-CG 4.46Å; V129-L133 PolarHBondContact O-N 3.41Å; V129-L133 VanDerWaalsContact O-N 3.15Å
130L89.2Confident87Confident0 Ų063 Ų630%030%0.299CS..Hα-helixtrans-54.5-46.9177.6-168.574.5000111.2R20 I24 Y101 I104 Y105 L108 E126 R132 L133 T134R20-L130 HydrophobicContact CB-CD1 4.32Å; I24-L130 HydrophobicContact CD1-CD2 4.35Å; Y101-L130 HydrophobicContact CD1-CD1 3.67Å; Y101-L130 HydrophobicContact CD1-CG 4.21Å; Y101-L130 HydrophobicContact CE1-CD1 3.26Å; Y101-L130 HydrophobicContact CE1-CG 3.94Å; I104-L130 HydrophobicContact CD1-CD1 4.08Å; I104-L130 HydrophobicContact CG2-CD1 4.05Å; I104-L130 HydrophobicContact CG2-CD2 3.57Å; I104-L130 HydrophobicContact CG2-CG 4.49Å; Y105-L130 HydrophobicContact CD1-CD2 4.31Å; Y105-L130 HydrophobicContact CE1-CD2 3.82Å; Y105-L130 HydrophobicContact CE2-CD2 4.27Å; L108-L130 HydrophobicContact CD1-CD2 3.88Å; E126-L130 WeakPolarHBondContact O-CB 3.41Å; E126-L130 PolarHBondContact O-N 3.09Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 2.85Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-L133 VanDerWaalsContact O-N 3.11Å; L130-T134 PolarHBondContact O-N 3.42Å; L130-T134 PolarHBondContact O-OG1 3.42Å
131K88Confident87.2Confident124 Ų12463 Ų6354%0.53929%0.294SS..Hα-helixtrans-55.5-38.3177-79.6-178.3177.8-1710113.8V127 V129 F135V127-K131 WeakPolarHBondContact O-CG 3.27Å; V127-K131 PolarHBondContact O-N 3.46Å; V129-K131 VanDerWaalsContact C-N 3.32Å; V129-K131 PolarHBondContact O-N 3.45Å; K131-F135 PolarHBondContact O-N 2.83Å
132R87.2Confident87.4Confident112 Ų11263.2 Ų63.242%0.42330%0.296SS..Hα-helixtrans-66.7-46.7177.3-62.9175.9-164.7-148-6.4110.7V129 L130 F135 L136 Y183V129-R132 WeakPolarHBondContact O-CB 3.36Å; V129-R132 PolarHBondContact O-N 3.04Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 2.85Å; R132-F135 PolarHBondContact O-N 2.83Å; R132-L136 PolarHBondContact O-N 3.33Å; R132-Y183 VanDerWaalsContact CD-CD1 3.49Å; R132-Y183 HydrophobicContact CG-CD1 3.53Å; R132-Y183 HydrophobicContact CG-CD2 3.77Å; R132-Y183 HydrophobicContact CG-CE1 3.39Å; R132-Y183 HydrophobicContact CG-CE2 3.56Å; R132-Y183 HydrophobicContact CG-CG 3.72Å; R132-Y183 VanDerWaalsContact NH2-CE1 3.33Å
133L88.9Confident87.4Confident24 Ų2462.7 Ų62.713%0.12629%0.293CS..Hα-helixtrans-71.5-37.9-176.7-64.2173.5000112.3M16 R20 Y101 V129 L130 F135 L136 I137M16-L133 HydrophobicContact CE-CD2 4.11Å; M16-L133 HydrophobicContact SD-CD2 3.82Å; R20-L133 HydrophobicContact CG-CD1 3.88Å; Y101-L133 HydrophobicContact CE1-CB 3.99Å; Y101-L133 WeakPolarHBondContact OH-CB 3.42Å; Y101-L133 VanDerWaalsContact OH-CD1 3.25Å; Y101-L133 WeakPolarHBondContact OH-CD1 3.46Å; V129-L133 HydrophobicContact CG1-CD1 3.98Å; V129-L133 HydrophobicContact CG1-CG 4.46Å; V129-L133 PolarHBondContact O-N 3.41Å; V129-L133 VanDerWaalsContact O-N 3.15Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-L133 VanDerWaalsContact O-N 3.11Å; L133-F135 PolarHBondContact O-N 3.3Å; L133-L136 WeakPolarHBondContact O-CB 3.29Å; L133-L136 PolarHBondContact O-N 2.97Å; L133-L136 VanDerWaalsContact O-N 3.16Å; L133-I137 WeakPolarHBondContact O-CB 3Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.21Å; L133-I137 PolarHBondContact O-N 3.36Å
134T89.3Confident87.4Confident31 Ų3162.9 Ų62.919%0.1929%0.292CS..Hα-helixtrans-53.5-46.8173.4-57.20000110Y101 Y105 L130 I137 T138Y101-T134 VanDerWaalsContact CD1-OG1 3.24Å; Y101-T134 WeakPolarHBondContact CD1-OG1 3.24Å; Y101-T134 WeakPolarHBondContact CE1-OG1 3.41Å; Y105-T134 HydrophobicContact CE2-CG2 4.01Å; Y105-T134 PolarHBondContact OH-OG1 2.87Å; L130-T134 PolarHBondContact O-N 3.42Å; L130-T134 PolarHBondContact O-OG1 3.42Å; T134-I137 PolarHBondContact O-N 3.24Å; T134-T138 WeakPolarHBondContact O-CB 3.36Å; T134-T138 PolarHBondContact O-N 2.92Å; T134-T138 PolarHBondContact O-OG1 3.32Å
135F86.5Confident87.5Confident106 Ų10656 Ų5647%0.46526%0.262SS..Hα-helixtrans-67.8-39.3-179.1-173.9-131.2000112.8K131 R132 L133 T138 S139 I179K131-F135 PolarHBondContact O-N 2.83Å; R132-F135 PolarHBondContact O-N 2.83Å; L133-F135 PolarHBondContact O-N 3.3Å; F135-T138 PolarHBondContact O-N 3.46Å; F135-S139 WeakPolarHBondContact O-CB 3.31Å; F135-S139 PolarHBondContact O-N 3.17Å; F135-I179 HydrophobicContact CD1-CB 4.26Å; F135-I179 HydrophobicContact CD1-CD1 3.75Å; F135-I179 HydrophobicContact CD1-CG1 3.98Å; F135-I179 HydrophobicContact CD1-CG2 3.32Å; F135-I179 HydrophobicContact CE1-CB 3.97Å; F135-I179 HydrophobicContact CE1-CD1 3.27Å; F135-I179 HydrophobicContact CE1-CG1 3.29Å; F135-I179 HydrophobicContact CE1-CG2 3.49Å; F135-I179 VanDerWaalsContact CE1-CG2 3.49Å; F135-I179 HydrophobicContact CE2-CD1 4.44Å; F135-I179 HydrophobicContact CZ-CD1 3.62Å; F135-I179 HydrophobicContact CZ-CG1 3.93Å
136L87.7Confident87.4Confident42 Ų4251.2 Ų51.222%0.2225%0.249CC..Hα-helixtrans-58.6-50.9172.4-175.4153.2000111.1I13 R132 L133 T138 S139 S140 Q176I13-L136 HydrophobicContact CD1-CD2 3.96Å; I13-L136 HydrophobicContact CG1-CD2 4.11Å; R132-L136 PolarHBondContact O-N 3.33Å; L133-L136 WeakPolarHBondContact O-CB 3.29Å; L133-L136 PolarHBondContact O-N 2.97Å; L133-L136 VanDerWaalsContact O-N 3.16Å; L136-T138 PolarHBondContact O-N 3.5Å; L136-S139 WeakPolarHBondContact O-CB 3.19Å; L136-S139 PolarHBondContact O-N 3.44Å; L136-S140 PolarHBondContact O-N 3.32Å; L136-S140 PolarHBondContact O-OG 3.11Å; L136-Q176 HydrophobicContact CG-CG 4.45Å
137I89.4Confident87.3Confident5 Ų550.7 Ų50.73%0.02625%0.249CC..Hα-helixtrans-62.6-43.9-179.7-67.6162.4000111.1I13 I98 Y101 L133 T134 S139 S140 F141I13-I137 HydrophobicContact CG2-CD1 4.3Å; I13-I137 HydrophobicContact CG2-CG1 3.78Å; I98-I137 HydrophobicContact CG1-CG2 3.73Å; Y101-I137 HydrophobicContact CD1-CD1 4.3Å; Y101-I137 HydrophobicContact CD2-CD1 3.71Å; Y101-I137 HydrophobicContact CE1-CD1 3.88Å; Y101-I137 HydrophobicContact CE2-CD1 3.19Å; Y101-I137 HydrophobicContact CG-CD1 4.23Å; L133-I137 WeakPolarHBondContact O-CB 3Å; L133-I137 VanDerWaalsContact O-CG1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.21Å; L133-I137 PolarHBondContact O-N 3.36Å; T134-I137 PolarHBondContact O-N 3.24Å; I137-S139 VanDerWaalsContact C-N 3.31Å; I137-S139 PolarHBondContact O-N 3.44Å; I137-S140 PolarHBondContact O-N 3.28Å; I137-F141 VanDerWaalsContact O-CB 3.24Å; I137-F141 WeakPolarHBondContact O-CB 3.46Å; I137-F141 PolarHBondContact O-N 3.43Å
138T88.3Confident87.1Confident57 Ų5749 Ų4935%0.3524%0.238SC..Hα-helixtrans-62.4-39.9176.6-58.30000111.2T134 F135 L136 F141 L142T134-T138 WeakPolarHBondContact O-CB 3.36Å; T134-T138 PolarHBondContact O-N 2.92Å; T134-T138 PolarHBondContact O-OG1 3.32Å; F135-T138 PolarHBondContact O-N 3.46Å; L136-T138 PolarHBondContact O-N 3.5Å; T138-F141 PolarHBondContact O-N 3.36Å; T138-L142 HydrophobicContact CG2-CD1 3.8Å; T138-L142 HydrophobicContact CG2-CG 4.23Å; T138-L142 WeakPolarHBondContact O-CB 3.28Å; T138-L142 VanDerWaalsContact O-CG 3.29Å; T138-L142 WeakPolarHBondContact O-CG 3.49Å; T138-L142 PolarHBondContact O-N 3.03Å
139S86.8Confident87.1Confident8 Ų844.7 Ų44.76%0.05622%0.221CC..Hα-helixtrans-63.1-51.8175.8-158.30000111.3F135 L136 I137 F141 L142 F143 T175F135-S139 WeakPolarHBondContact O-CB 3.31Å; F135-S139 PolarHBondContact O-N 3.17Å; L136-S139 WeakPolarHBondContact O-CB 3.19Å; L136-S139 PolarHBondContact O-N 3.44Å; I137-S139 VanDerWaalsContact C-N 3.31Å; I137-S139 PolarHBondContact O-N 3.44Å; S139-F141 PolarHBondContact O-N 3.19Å; S139-L142 PolarHBondContact O-N 2.95Å; S139-F143 WeakPolarHBondContact O-CB 3.29Å; S139-F143 VanDerWaalsContact O-CD2 3.32Å; S139-F143 WeakPolarHBondContact O-CD2 3.36Å; S139-F143 PolarHBondContact O-N 3.27Å; S139-F143 WeakPolarHBondContact OG-CD2 3.31Å; S139-T175 PolarHBondContact OG-OG1 3.27Å; S139-T175 VanDerWaalsContact OG-OG1 3.08Å
140S86.7Confident86.9Confident7 Ų745.2 Ų45.25%0.04922%0.224CC..Hα-helixtrans-59.9-37.1177.5-57.50000112L136 I137 Y144 A145 Q176L136-S140 PolarHBondContact O-N 3.32Å; L136-S140 PolarHBondContact O-OG 3.11Å; I137-S140 PolarHBondContact O-N 3.28Å; S140-Y144 WeakPolarHBondContact O-CA 3.38Å; S140-Y144 VanDerWaalsContact O-CB 3.29Å; S140-Y144 WeakPolarHBondContact O-CB 3.37Å; S140-Y144 PolarHBondContact O-N 3.44Å; S140-Y144 VanDerWaalsContact O-N 3.09Å; S140-A145 PolarHBondContact O-N 2.95Å; S140-Q176 PolarHBondContact OG-NE2 3.34Å
141F88.5Confident86.5Confident34 Ų3446.6 Ų46.615%0.14923%0.233CC..Iπ-helixtrans-66.1-51.9176.3-179.6-98.8000112.4P94 Y95 I98 I137 T138 S139 A145 L146P94-F141 HydrophobicContact CB-CB 4.47Å; P94-F141 HydrophobicContact CB-CD2 4.35Å; Y95-F141 AromaticContact CD1-CE2 3.94Å; Y95-F141 HydrophobicContact CD1-CE2 3.94Å; Y95-F141 HydrophobicContact CD2-CD2 4.31Å; Y95-F141 AromaticContact CD2-CE2 3.82Å; Y95-F141 HydrophobicContact CD2-CE2 3.82Å; Y95-F141 AromaticContact CE1-CE2 3.65Å; Y95-F141 HydrophobicContact CE1-CE2 3.65Å; Y95-F141 HydrophobicContact CE1-CZ 4.03Å; Y95-F141 HydrophobicContact CE2-CD2 4.26Å; Y95-F141 AromaticContact CE2-CE2 3.53Å; Y95-F141 HydrophobicContact CE2-CE2 3.53Å; Y95-F141 HydrophobicContact CE2-CZ 4.4Å; Y95-F141 HydrophobicContact CG-CE2 4.03Å; Y95-F141 AromaticContact CZ-CE2 3.45Å; Y95-F141 VanDerWaalsContact CZ-CE2 3.45Å; Y95-F141 AromaticContact CZ-CZ 3.91Å; I98-F141 HydrophobicContact CD1-CB 3.69Å; I98-F141 HydrophobicContact CD1-CD1 3.76Å; I98-F141 HydrophobicContact CD1-CD2 3.32Å; I98-F141 HydrophobicContact CD1-CE1 4.18Å; I98-F141 HydrophobicContact CD1-CE2 3.77Å; I98-F141 HydrophobicContact CD1-CG 3.3Å; I98-F141 HydrophobicContact CD1-CZ 4.18Å; I137-F141 VanDerWaalsContact O-CB 3.24Å; I137-F141 WeakPolarHBondContact O-CB 3.46Å; I137-F141 PolarHBondContact O-N 3.43Å; T138-F141 PolarHBondContact O-N 3.36Å; S139-F141 PolarHBondContact O-N 3.19Å; F141-A145 HydrophobicContact CD2-CB 4.11Å; F141-A145 PolarHBondContact O-N 3.29Å; F141-L146 HydrophobicContact CE1-CB 4.31Å; F141-L146 HydrophobicContact CE1-CD1 3.9Å; F141-L146 HydrophobicContact CZ-CB 4.5Å; F141-L146 HydrophobicContact CZ-CD1 4.45Å; F141-L146 VanDerWaalsContact O-CB 3.23Å; F141-L146 WeakPolarHBondContact O-CB 3.4Å; F141-L146 PolarHBondContact O-N 3.39Å
142L87.9Confident86.1Confident91 Ų9142.4 Ų42.448%0.47622%0.216SC..Iπ-helixtrans-69.5-40.9-174.9-70.7176.1000112.9T138 S139 L146 P147T138-L142 HydrophobicContact CG2-CD1 3.8Å; T138-L142 HydrophobicContact CG2-CG 4.23Å; T138-L142 WeakPolarHBondContact O-CB 3.28Å; T138-L142 VanDerWaalsContact O-CG 3.29Å; T138-L142 WeakPolarHBondContact O-CG 3.49Å; T138-L142 PolarHBondContact O-N 3.03Å; S139-L142 PolarHBondContact O-N 2.95Å; L142-L146 HydrophobicContact CD2-CD1 4.32Å; L142-P147 VanDerWaalsContact O-CD 3.28Å; L142-P147 WeakPolarHBondContact O-CD 3.47Å
143F84.8Confident85.8Confident83 Ų8342.2 Ų42.236%0.36423%0.231SC..Iπ-helixtrans-89.1-21.4-174.8-69.1-67.2000113.7S139 L168 T175S139-F143 WeakPolarHBondContact O-CB 3.29Å; S139-F143 VanDerWaalsContact O-CD2 3.32Å; S139-F143 WeakPolarHBondContact O-CD2 3.36Å; S139-F143 PolarHBondContact O-N 3.27Å; S139-F143 WeakPolarHBondContact OG-CD2 3.31Å; F143-L168 WeakPolarHBondContact O-CB 3.28Å; F143-T175 HydrophobicContact CE2-CG2 4.21Å
144Y84.7Confident85.2Confident29 Ų2943.6 Ų43.611%0.11424%0.242CC..Iπ-helixtrans-125.9-61.9-174.6-170.9-89.1000112.9E6 V90 S140 L146 P147 L148 A169E6-Y144 PolarHBondContact OE2-OH 3.19Å; E6-Y144 VanDerWaalsContact OE2-OH 3.06Å; V90-Y144 HydrophobicContact CB-CE1 3.94Å; V90-Y144 HydrophobicContact CG1-CD1 3.8Å; V90-Y144 HydrophobicContact CG1-CE1 3.11Å; S140-Y144 WeakPolarHBondContact O-CA 3.38Å; S140-Y144 VanDerWaalsContact O-CB 3.29Å; S140-Y144 WeakPolarHBondContact O-CB 3.37Å; S140-Y144 PolarHBondContact O-N 3.44Å; S140-Y144 VanDerWaalsContact O-N 3.09Å; Y144-L146 PolarHBondContact O-N 3.05Å; Y144-P147 WeakPolarHBondContact O-CD 3.43Å; Y144-L148 HydrophobicContact CE1-CD2 3.72Å; Y144-L148 VanDerWaalsContact O-CB 3.25Å; Y144-L148 WeakPolarHBondContact O-CB 3.26Å; Y144-L148 PolarHBondContact O-N 2.85Å; Y144-A169 HydrophobicContact CD2-CB 3.83Å; Y144-A169 HydrophobicContact CE2-CB 3.63Å
145A87.5Confident84.2Confident0 Ų049.2 Ų49.20%027%0.266CS..Iπ-helixtrans-64.5-41.2-172.600000113.1P94 Y95 S140 F141 S149P94-A145 HydrophobicContact CB-CB 3.91Å; P94-A145 HydrophobicContact CG-CB 3.99Å; Y95-A145 HydrophobicContact CE2-CB 4.5Å; S140-A145 PolarHBondContact O-N 2.95Å; F141-A145 HydrophobicContact CD2-CB 4.11Å; F141-A145 PolarHBondContact O-N 3.29Å; A145-S149 WeakPolarHBondContact O-CB 3.43Å; A145-S149 PolarHBondContact O-N 3.08Å; A145-S149 PolarHBondContact O-OG 3.16Å
146L85.7Confident83Confident70 Ų7052 Ų5237%0.36629%0.286SS..Hα-helixtrans-67.6-52-179.1-177.5162.9000111.5F141 L142 Y144 L148 S149 V150F141-L146 HydrophobicContact CE1-CB 4.31Å; F141-L146 HydrophobicContact CE1-CD1 3.9Å; F141-L146 HydrophobicContact CZ-CB 4.5Å; F141-L146 HydrophobicContact CZ-CD1 4.45Å; F141-L146 VanDerWaalsContact O-CB 3.23Å; F141-L146 WeakPolarHBondContact O-CB 3.4Å; F141-L146 PolarHBondContact O-N 3.39Å; L142-L146 HydrophobicContact CD2-CD1 4.32Å; Y144-L146 PolarHBondContact O-N 3.05Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 2.94Å; L146-S149 WeakPolarHBondContact O-CB 3.26Å; L146-S149 PolarHBondContact O-N 3.45Å; L146-V150 HydrophobicContact CD2-CG2 4.43Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 2.83Å; L146-V150 VanDerWaalsContact O-N 3.09Å
147P84.1Confident81.5Confident29 Ų2956 Ų5619%0.18831%0.311CS..Hα-helixtrans-55.3-45.2173-28.135.3000112.9L142 Y144 S149 V150 V151 L168L142-P147 VanDerWaalsContact O-CD 3.28Å; L142-P147 WeakPolarHBondContact O-CD 3.47Å; Y144-P147 WeakPolarHBondContact O-CD 3.43Å; P147-S149 VanDerWaalsContact C-N 3.32Å; P147-S149 PolarHBondContact O-N 3.2Å; P147-V150 PolarHBondContact O-N 3.3Å; P147-V151 WeakPolarHBondContact O-CG2 3.42Å; P147-V151 PolarHBondContact O-N 2.8Å; P147-V151 VanDerWaalsContact O-N 3.15Å; P147-L168 HydrophobicContact CB-CD1 3.76Å; P147-L168 HydrophobicContact CG-CD1 3.96Å
148L84.3Confident79.9Confident6 Ų657.2 Ų57.23%0.03132%0.317CS..Hα-helixtrans-64.1-37179.4-17556.7000112.1Q87 V91 Y144 L146 V150 V151 L152 I165Q87-L148 HydrophobicContact CG-CD1 4.47Å; V91-L148 HydrophobicContact CG2-CB 3.95Å; V91-L148 HydrophobicContact CG2-CD2 3.49Å; V91-L148 VanDerWaalsContact CG2-CD2 3.49Å; V91-L148 HydrophobicContact CG2-CG 3.57Å; Y144-L148 HydrophobicContact CE1-CD2 3.72Å; Y144-L148 VanDerWaalsContact O-CB 3.25Å; Y144-L148 WeakPolarHBondContact O-CB 3.26Å; Y144-L148 PolarHBondContact O-N 2.85Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 2.94Å; L148-V150 PolarHBondContact O-N 3.36Å; L148-V151 PolarHBondContact O-N 3.44Å; L148-L152 HydrophobicContact CG-CD1 4.35Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.25Å; L148-I165 HydrophobicContact CD1-CD1 4.42Å
149S86.2Confident78.6Confident24 Ų2458 Ų5817%0.16834%0.337CS..Hα-helixtrans-64.5-38.7175.3-59.30000112.5V91 Y95 A145 L146 P147 V151 L152 C153V91-S149 WeakPolarHBondContact CG1-OG 3.43Å; Y95-S149 WeakPolarHBondContact CE2-OG 3.47Å; A145-S149 WeakPolarHBondContact O-CB 3.43Å; A145-S149 PolarHBondContact O-N 3.08Å; A145-S149 PolarHBondContact O-OG 3.16Å; L146-S149 WeakPolarHBondContact O-CB 3.26Å; L146-S149 PolarHBondContact O-N 3.45Å; P147-S149 VanDerWaalsContact C-N 3.32Å; P147-S149 PolarHBondContact O-N 3.2Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-L152 PolarHBondContact O-N 2.95Å; S149-C153 WeakPolarHBondContact O-CB 3.46Å; S149-C153 PolarHBondContact O-N 3.49Å
150V83.7Confident77.2Confident68 Ų6861.3 Ų61.341%0.41237%0.365SS..Hα-helixtrans-63.7-42176.1173.30000110.4L146 P147 L148 C153 C154 I158L146-V150 HydrophobicContact CD2-CG2 4.43Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 2.83Å; L146-V150 VanDerWaalsContact O-N 3.09Å; P147-V150 PolarHBondContact O-N 3.3Å; L148-V150 PolarHBondContact O-N 3.36Å; V150-C153 PolarHBondContact O-N 3.48Å; V150-C154 WeakPolarHBondContact O-CB 3.45Å; V150-C154 PolarHBondContact O-N 2.87Å; V150-I158 HydrophobicContact CG1-CD1 4.15Å
151V80Confident76Confident29 Ų2964.6 Ų64.618%0.17638%0.382CS..Hα-helixtrans-66.6-42.1177.6176.70000111.9P147 L148 S149 C153 C154 Q155 I158 I165P147-V151 WeakPolarHBondContact O-CG2 3.42Å; P147-V151 PolarHBondContact O-N 2.8Å; P147-V151 VanDerWaalsContact O-N 3.15Å; L148-V151 PolarHBondContact O-N 3.44Å; S149-V151 VanDerWaalsContact C-N 3.33Å; V151-C153 VanDerWaalsContact C-N 3.29Å; V151-C153 PolarHBondContact O-N 3.25Å; V151-C154 CarbonylContact O-C 3.57Å; V151-C154 PolarHBondContact O-N 3.04Å; V151-Q155 PolarHBondContact O-N 2.74Å; V151-I158 HydrophobicContact CG2-CG2 3.82Å; V151-I165 HydrophobicContact CB-CD1 4Å; V151-I165 HydrophobicContact CG1-CD1 3.92Å; V151-I165 HydrophobicContact CG2-CD1 3.61Å; V151-I165 HydrophobicContact CG2-CG1 4.28Å
152L79.6Confident74.9Confident35 Ų3567 Ų6718%0.18340%0.396CS..Hα-helixtrans-61.2-36.5175.2-76.8167.6000112.8Q87 V91 L148 S149Q87-L152 HydrophobicContact CB-CD1 4.37Å; Q87-L152 HydrophobicContact CB-CD2 4.22Å; V91-L152 HydrophobicContact CG2-CD1 3.86Å; L148-L152 HydrophobicContact CG-CD1 4.35Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 3.25Å; S149-L152 PolarHBondContact O-N 2.95Å
153C80.7Confident73.9Confident109 Ų10967.8 Ų67.874%0.73640%0.404SS*.Hα-helixtrans-78.6-36.5179.7-166.50000112.5S149 V150 V151S149-C153 WeakPolarHBondContact O-CB 3.46Å; S149-C153 PolarHBondContact O-N 3.49Å; V150-C153 PolarHBondContact O-N 3.48Å; V151-C153 VanDerWaalsContact C-N 3.29Å; V151-C153 PolarHBondContact O-N 3.25Å
154C76.7Confident73.1Confident53 Ų5370.9 Ų70.936%0.35842%0.415SS..  trans-113.451-171.6-60.70000112.3V150 V151 D156 V157 I158V150-C154 WeakPolarHBondContact O-CB 3.45Å; V150-C154 PolarHBondContact O-N 2.87Å; V151-C154 CarbonylContact O-C 3.57Å; V151-C154 PolarHBondContact O-N 3.04Å; C154-D156 PolarHBondContact O-N 3.34Å; C154-D156 VanDerWaalsContact O-N 3.07Å; C154-V157 PolarHBondContact O-N 3.06Å; C154-I158 HydrophobicContact CB-CD1 4.13Å
155Q67.7Low72.4Confident149 Ų14970.4 Ų70.470%0.69641%0.414SS*.G310 helixtrans-50.1-36.9-176.3-72.1-171.7-28.400113.3V151 V157V151-Q155 PolarHBondContact O-N 2.74Å; Q155-V157 PolarHBondContact O-N 3.08Å
156D63Low71.4Confident165 Ų16577.3 Ų77.388%0.88244%0.44SS*.G310 helixtrans-74.8-22.8-173.3-67.5-35.1000115.1C154C154-D156 PolarHBondContact O-N 3.34Å; C154-D156 VanDerWaalsContact O-N 3.07Å
157V55Low70.9Confident124 Ų12476.6 Ų76.675%0.75244%0.441SS*.G310 helixtrans-99.9-10.9-166.6-169.40000112.2C154 Q155C154-V157 PolarHBondContact O-N 3.06Å; Q155-V157 PolarHBondContact O-N 3.08Å
158I56.4Low70.5Confident31 Ų3177.7 Ų77.716%0.15945%0.445CS..  trans-137.531.2-151.9-66.3178.5000113.8V150 V151 C154 A160 L161V150-I158 HydrophobicContact CG1-CD1 4.15Å; V151-I158 HydrophobicContact CG2-CG2 3.82Å; C154-I158 HydrophobicContact CB-CD1 4.13Å; I158-A160 PolarHBondContact O-N 3.13Å; I158-L161 HydrophobicContact CB-CD1 4.24Å; I158-L161 HydrophobicContact CD1-CD1 3.94Å; I158-L161 HydrophobicContact CG1-CD1 4.01Å; I158-L161 HydrophobicContact CG2-CB 3.28Å; I158-L161 HydrophobicContact CG2-CD1 3.2Å; I158-L161 HydrophobicContact CG2-CG 3.58Å; I158-L161 PolarHBondContact O-N 2.94Å; I158-L161 VanDerWaalsContact O-N 3.08Å
159G60.2Low70.1Confident73 Ų7378 Ų7875%0.75345%0.448SS*.THydrogen-bonded Turntrans-54.8-24.7170.700000114.2
160A58.2Low69.8Low79 Ų7980.6 Ų80.665%0.65347%0.466SS*.THydrogen-bonded Turntrans-80.9-21.9178.200000115.1I158 D162 Y164I158-A160 PolarHBondContact O-N 3.13Å; A160-D162 VanDerWaalsContact C-N 3.31Å; A160-D162 PolarHBondContact O-N 3.25Å; A160-Y164 WeakPolarHBondContact O-CD2 3.28Å
161L61.3Low69.6Low76 Ų7685.5 Ų85.540%0.39848%0.478SS..THydrogen-bonded Turntrans-81.1-9-179.6-69.3155.4000113.5I158 V163 Y164 I165I158-L161 HydrophobicContact CB-CD1 4.24Å; I158-L161 HydrophobicContact CD1-CD1 3.94Å; I158-L161 HydrophobicContact CG1-CD1 4.01Å; I158-L161 HydrophobicContact CG2-CB 3.28Å; I158-L161 HydrophobicContact CG2-CD1 3.2Å; I158-L161 HydrophobicContact CG2-CG 3.58Å; I158-L161 PolarHBondContact O-N 2.94Å; I158-L161 VanDerWaalsContact O-N 3.08Å; L161-V163 VanDerWaalsContact C-N 3.27Å; L161-V163 PolarHBondContact O-N 2.93Å; L161-Y164 HydrophobicContact CD2-CD2 3.95Å; L161-Y164 HydrophobicContact CD2-CG 4.06Å; L161-Y164 CarbonylContact O-C 3.48Å; L161-Y164 WeakPolarHBondContact O-CA 3.3Å; L161-Y164 WeakPolarHBondContact O-CB 3.44Å; L161-Y164 PolarHBondContact O-N 3.13Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.37Å
162D65.2Low69.5Low85 Ų8584.4 Ų84.446%0.45547%0.471SS..Hα-helixtrans-58-42.1-180-162.238.6000111.6A160 Y164 I165 W166A160-D162 VanDerWaalsContact C-N 3.31Å; A160-D162 PolarHBondContact O-N 3.25Å; D162-Y164 VanDerWaalsContact C-N 3.26Å; D162-Y164 PolarHBondContact O-N 3.21Å; D162-I165 WeakPolarHBondContact O-CB 3.37Å; D162-I165 PolarHBondContact O-N 3.46Å; D162-I165 VanDerWaalsContact O-N 3.15Å; D162-W166 PolarHBondContact O-N 2.96Å
163V67.7Low69.6Low107 Ų10786.9 Ų86.965%0.64848%0.484SS*.Hα-helixtrans-62-34.2173-177.50000112.3L161 S167L161-V163 VanDerWaalsContact C-N 3.27Å; L161-V163 PolarHBondContact O-N 2.93Å; V163-S167 PolarHBondContact O-N 2.94Å; V163-S167 PolarHBondContact O-OG 3.22Å
164Y67.7Low69.8Low147 Ų14783.8 Ų83.858%0.57647%0.467SS*.Hα-helixtrans-75.9-30.2177.6-68.7-86.4000112.2A160 L161 D162 W166 S167 L168A160-Y164 WeakPolarHBondContact O-CD2 3.28Å; L161-Y164 HydrophobicContact CD2-CD2 3.95Å; L161-Y164 HydrophobicContact CD2-CG 4.06Å; L161-Y164 CarbonylContact O-C 3.48Å; L161-Y164 WeakPolarHBondContact O-CA 3.3Å; L161-Y164 WeakPolarHBondContact O-CB 3.44Å; L161-Y164 PolarHBondContact O-N 3.13Å; D162-Y164 VanDerWaalsContact C-N 3.26Å; D162-Y164 PolarHBondContact O-N 3.21Å; Y164-W166 VanDerWaalsContact C-N 3.34Å; Y164-W166 PolarHBondContact O-N 2.96Å; Y164-S167 WeakPolarHBondContact O-CB 3.39Å; Y164-S167 PolarHBondContact O-N 3.33Å; Y164-L168 WeakPolarHBondContact O-CB 3.38Å; Y164-L168 VanDerWaalsContact O-CG 3.25Å; Y164-L168 WeakPolarHBondContact O-CG 3.25Å; Y164-L168 PolarHBondContact O-N 3.39Å
165I69.5Low70Confident19 Ų1982.6 Ų82.610%0.09746%0.457CS..Hα-helixtrans-59.7-45.9175-67.6164.6000110.3L148 V151 L161 D162 S167 L168 A169L148-I165 HydrophobicContact CD1-CD1 4.42Å; V151-I165 HydrophobicContact CB-CD1 4Å; V151-I165 HydrophobicContact CG1-CD1 3.92Å; V151-I165 HydrophobicContact CG2-CD1 3.61Å; V151-I165 HydrophobicContact CG2-CG1 4.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.38Å; L161-I165 PolarHBondContact O-N 3.37Å; D162-I165 WeakPolarHBondContact O-CB 3.37Å; D162-I165 PolarHBondContact O-N 3.46Å; D162-I165 VanDerWaalsContact O-N 3.15Å; I165-S167 VanDerWaalsContact C-N 3.29Å; I165-S167 PolarHBondContact O-N 3.34Å; I165-L168 WeakPolarHBondContact O-CB 3.5Å; I165-L168 PolarHBondContact O-N 3.32Å; I165-L168 VanDerWaalsContact O-N 3.12Å; I165-A169 PolarHBondContact O-N 3.05Å
166W67.4Low70.7Confident145 Ų14576.9 Ų76.955%0.54943%0.431SS..Hα-helixtrans-59.5-40.6175.5-77.797.2000112.6D162 Y164 S170D162-W166 PolarHBondContact O-N 2.96Å; Y164-W166 VanDerWaalsContact C-N 3.34Å; Y164-W166 PolarHBondContact O-N 2.96Å; W166-S170 PolarHBondContact O-N 2.94Å; W166-S170 PolarHBondContact O-OG 2.65Å
167S74.6Confident71.7Confident55 Ų5573.4 Ų73.439%0.38542%0.415SS..Hα-helixtrans-65.2-42.8175.4-59.90000111.1V163 Y164 I165 A169 S170 W171V163-S167 PolarHBondContact O-N 2.94Å; V163-S167 PolarHBondContact O-OG 3.22Å; Y164-S167 WeakPolarHBondContact O-CB 3.39Å; Y164-S167 PolarHBondContact O-N 3.33Å; I165-S167 VanDerWaalsContact C-N 3.29Å; I165-S167 PolarHBondContact O-N 3.34Å; S167-A169 PolarHBondContact O-N 3.04Å; S167-S170 WeakPolarHBondContact O-CB 3.41Å; S167-S170 PolarHBondContact O-N 3.29Å; S167-W171 PolarHBondContact O-N 3.2Å
168L75.8Confident73.1Confident52 Ų5273.2 Ų73.227%0.27241%0.41SS..Hα-helixtrans-64.7-37.5179.6-76.1170.4000112.7F143 P147 Y164 I165 S170 W171 S172F143-L168 WeakPolarHBondContact O-CB 3.28Å; P147-L168 HydrophobicContact CB-CD1 3.76Å; P147-L168 HydrophobicContact CG-CD1 3.96Å; Y164-L168 WeakPolarHBondContact O-CB 3.38Å; Y164-L168 VanDerWaalsContact O-CG 3.25Å; Y164-L168 WeakPolarHBondContact O-CG 3.25Å; Y164-L168 PolarHBondContact O-N 3.39Å; I165-L168 WeakPolarHBondContact O-CB 3.5Å; I165-L168 PolarHBondContact O-N 3.32Å; I165-L168 VanDerWaalsContact O-N 3.12Å; L168-S170 VanDerWaalsContact C-N 3.31Å; L168-S170 PolarHBondContact O-N 2.93Å; L168-W171 PolarHBondContact O-N 2.88Å; L168-S172 WeakPolarHBondContact O-CB 3.48Å; L168-S172 PolarHBondContact O-N 3.41Å
169A74.8Confident74.3Confident12 Ų1273 Ų7310%0.09941%0.408CS..Hα-helixtrans-57.3-45.817200000111.7Y144 I165 S167 W171 S172 L173Y144-A169 HydrophobicContact CD2-CB 3.83Å; Y144-A169 HydrophobicContact CE2-CB 3.63Å; I165-A169 PolarHBondContact O-N 3.05Å; S167-A169 PolarHBondContact O-N 3.04Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-W171 PolarHBondContact O-N 3.39Å; A169-S172 WeakPolarHBondContact O-CB 3.47Å; A169-S172 PolarHBondContact O-N 3.09Å; A169-L173 PolarHBondContact O-N 3.09Å
170S81Confident75.3Confident79 Ų7976.6 Ų76.655%0.55240%0.4SS*.Hα-helixtrans-62.3-41.2176.7-57.50000111.9W166 S167 L168 A174W166-S170 PolarHBondContact O-N 2.94Å; W166-S170 PolarHBondContact O-OG 2.65Å; S167-S170 WeakPolarHBondContact O-CB 3.41Å; S167-S170 PolarHBondContact O-N 3.29Å; L168-S170 VanDerWaalsContact C-N 3.31Å; L168-S170 PolarHBondContact O-N 2.93Å; S170-A174 WeakPolarHBondContact O-CB 3.29Å; S170-A174 PolarHBondContact O-N 2.83Å
171W78.3Confident76.5Confident171 Ų17174.9 Ų74.965%0.64838%0.383SS*.Hα-helixtrans-66.1-39174.2-77.3108000112.7S167 L168 A169 A174 T175S167-W171 PolarHBondContact O-N 3.2Å; L168-W171 PolarHBondContact O-N 2.88Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-W171 PolarHBondContact O-N 3.39Å; W171-A174 PolarHBondContact O-N 3.25Å; W171-T175 VanDerWaalsContact O-CG2 3.3Å; W171-T175 WeakPolarHBondContact O-CG2 3.46Å; W171-T175 PolarHBondContact O-N 2.92Å; W171-T175 PolarHBondContact O-OG1 3.47Å; W171-T175 VanDerWaalsContact O-OG1 3.13Å
172S78.9Confident77.5Confident6 Ų680.7 Ų80.74%0.04240%0.4CS..Hα-helixtrans-57.9-51175.4-176.50000110.5L168 A169 A174 T175 Q176L168-S172 WeakPolarHBondContact O-CB 3.48Å; L168-S172 PolarHBondContact O-N 3.41Å; A169-S172 WeakPolarHBondContact O-CB 3.47Å; A169-S172 PolarHBondContact O-N 3.09Å; S172-A174 PolarHBondContact O-N 3.38Å; S172-T175 PolarHBondContact O-N 3.19Å; S172-T175 PolarHBondContact O-OG1 3.39Å; S172-Q176 WeakPolarHBondContact O-CG 3.48Å; S172-Q176 PolarHBondContact O-N 2.9Å
173L81.4Confident78.2Confident88 Ų8881 Ų8146%0.46140%0.395SS..Hα-helixtrans-62.7-43.4177.2-67.3173.6000112.2A169 T175 Q176 V177A169-L173 PolarHBondContact O-N 3.09Å; L173-T175 VanDerWaalsContact C-N 3.35Å; L173-T175 PolarHBondContact O-N 2.82Å; L173-Q176 PolarHBondContact O-N 3.03Å; L173-V177 WeakPolarHBondContact O-CG2 3.28Å; L173-V177 PolarHBondContact O-N 3.44Å
174A85.2Confident78.8Confident44 Ų4477.8 Ų77.836%0.36437%0.374SS..Hα-helixtrans-60.3-44.2177.500000111.8S170 W171 S172 V177 L178S170-A174 WeakPolarHBondContact O-CB 3.29Å; S170-A174 PolarHBondContact O-N 2.83Å; W171-A174 PolarHBondContact O-N 3.25Å; S172-A174 PolarHBondContact O-N 3.38Å; A174-V177 PolarHBondContact O-N 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.32Å; A174-L178 VanDerWaalsContact O-CG 3.26Å; A174-L178 WeakPolarHBondContact O-CG 3.23Å; A174-L178 PolarHBondContact O-N 3.44Å
175T80.1Confident79.5Confident27 Ų2778.3 Ų78.317%0.16638%0.38CS..Hα-helixtrans-62.6-47.8175.557.40000110.6S139 F143 W171 S172 L173 V177 L178 I179S139-T175 PolarHBondContact OG-OG1 3.27Å; S139-T175 VanDerWaalsContact OG-OG1 3.08Å; F143-T175 HydrophobicContact CE2-CG2 4.21Å; W171-T175 VanDerWaalsContact O-CG2 3.3Å; W171-T175 WeakPolarHBondContact O-CG2 3.46Å; W171-T175 PolarHBondContact O-N 2.92Å; W171-T175 PolarHBondContact O-OG1 3.47Å; W171-T175 VanDerWaalsContact O-OG1 3.13Å; S172-T175 PolarHBondContact O-N 3.19Å; S172-T175 PolarHBondContact O-OG1 3.39Å; L173-T175 VanDerWaalsContact C-N 3.35Å; L173-T175 PolarHBondContact O-N 2.82Å; T175-V177 VanDerWaalsContact C-N 3.31Å; T175-V177 PolarHBondContact O-N 3.28Å; T175-L178 PolarHBondContact O-N 3.37Å; T175-I179 VanDerWaalsContact O-CB 3.3Å; T175-I179 WeakPolarHBondContact O-CB 3.39Å; T175-I179 WeakPolarHBondContact O-CD1 3.38Å; T175-I179 WeakPolarHBondContact O-CG1 3.34Å; T175-I179 PolarHBondContact O-N 3.31Å
176Q83.3Confident80.1Confident30 Ų3082.8 Ų82.814%0.1440%0.4CS..Hα-helixtrans-56-43.2177-69.5-178.628.300112.8E9 L136 S140 S172 L173 I179 Y180E9-Q176 PolarHBondContact OE1-NE2 2.87Å; E9-Q176 PolarHBondContact OE1-OE1 2.89Å; L136-Q176 HydrophobicContact CG-CG 4.45Å; S140-Q176 PolarHBondContact OG-NE2 3.34Å; S172-Q176 WeakPolarHBondContact O-CG 3.48Å; S172-Q176 PolarHBondContact O-N 2.9Å; L173-Q176 PolarHBondContact O-N 3.03Å; Q176-I179 PolarHBondContact O-N 2.83Å; Q176-Y180 WeakPolarHBondContact O-CB 3.49Å; Q176-Y180 PolarHBondContact O-N 3.02Å
177V84.6Confident80.8Confident91 Ų9178.1 Ų78.155%0.55239%0.386SS*.Hα-helixtrans-65.6-46.4177.3172.30000111.4L173 A174 T175 I179 Y180 C181L173-V177 WeakPolarHBondContact O-CG2 3.28Å; L173-V177 PolarHBondContact O-N 3.44Å; A174-V177 PolarHBondContact O-N 3.32Å; T175-V177 VanDerWaalsContact C-N 3.31Å; T175-V177 PolarHBondContact O-N 3.28Å; V177-I179 VanDerWaalsContact C-N 3.25Å; V177-I179 PolarHBondContact O-N 2.98Å; V177-Y180 PolarHBondContact O-N 3.32Å; V177-C181 WeakPolarHBondContact O-CB 3.32Å; V177-C181 PolarHBondContact O-N 3.35Å; V177-C181 PolarHBondContact O-SG 3.2Å; V177-C181 VanDerWaalsContact O-SG 3.32Å
178L84Confident81.3Confident121 Ų12177.8 Ų77.863%0.63438%0.379SS*.Hα-helixtrans-59.7-40.5176.7-71.4173.7000111.3A174 T175 C181 W182A174-L178 WeakPolarHBondContact O-CB 3.32Å; A174-L178 VanDerWaalsContact O-CG 3.26Å; A174-L178 WeakPolarHBondContact O-CG 3.23Å; A174-L178 PolarHBondContact O-N 3.44Å; T175-L178 PolarHBondContact O-N 3.37Å; L178-C181 PolarHBondContact O-N 3.21Å; L178-W182 WeakPolarHBondContact O-CB 3.47Å; L178-W182 PolarHBondContact O-N 3.44Å
179I81.6Confident81.8Confident25 Ų2580.9 Ų80.913%0.12839%0.391CS..Hα-helixtrans-64.7-46.6177.3-67.8169.9000110.8F135 T175 Q176 V177 C181 W182 Y183F135-I179 HydrophobicContact CD1-CB 4.26Å; F135-I179 HydrophobicContact CD1-CD1 3.75Å; F135-I179 HydrophobicContact CD1-CG1 3.98Å; F135-I179 HydrophobicContact CD1-CG2 3.32Å; F135-I179 HydrophobicContact CE1-CB 3.97Å; F135-I179 HydrophobicContact CE1-CD1 3.27Å; F135-I179 HydrophobicContact CE1-CG1 3.29Å; F135-I179 HydrophobicContact CE1-CG2 3.49Å; F135-I179 VanDerWaalsContact CE1-CG2 3.49Å; F135-I179 HydrophobicContact CE2-CD1 4.44Å; F135-I179 HydrophobicContact CZ-CD1 3.62Å; F135-I179 HydrophobicContact CZ-CG1 3.93Å; T175-I179 VanDerWaalsContact O-CB 3.3Å; T175-I179 WeakPolarHBondContact O-CB 3.39Å; T175-I179 WeakPolarHBondContact O-CD1 3.38Å; T175-I179 WeakPolarHBondContact O-CG1 3.34Å; T175-I179 PolarHBondContact O-N 3.31Å; Q176-I179 PolarHBondContact O-N 2.83Å; V177-I179 VanDerWaalsContact C-N 3.25Å; V177-I179 PolarHBondContact O-N 2.98Å; I179-C181 VanDerWaalsContact C-N 3.34Å; I179-C181 PolarHBondContact O-N 3.45Å; I179-W182 PolarHBondContact O-N 2.92Å; I179-Y183 PolarHBondContact O-N 2.8Å
180Y81.8Confident82.3Confident149 Ų14984 Ų8458%0.58441%0.409SS*.Hα-helixtrans-59.4-46.8176.7178.7-95.2000111.3Q176 V177 W182 Y183 N184 I187Q176-Y180 WeakPolarHBondContact O-CB 3.49Å; Q176-Y180 PolarHBondContact O-N 3.02Å; V177-Y180 PolarHBondContact O-N 3.32Å; Y180-W182 VanDerWaalsContact C-N 3.3Å; Y180-W182 PolarHBondContact O-N 3.49Å; Y180-Y183 PolarHBondContact O-N 3.22Å; Y180-N184 WeakPolarHBondContact O-CB 3.35Å; Y180-N184 PolarHBondContact O-N 3.04Å; Y180-I187 HydrophobicContact CD1-CD1 4.09Å; Y180-I187 HydrophobicContact CE1-CD1 3.73Å
181C82.3Confident82.5Confident44 Ų4483.5 Ų83.530%0.29740%0.402SS..Hα-helixtrans-58.2-42174.7-73.40000111.9V177 L178 I179 I187V177-C181 WeakPolarHBondContact O-CB 3.32Å; V177-C181 PolarHBondContact O-N 3.35Å; V177-C181 PolarHBondContact O-SG 3.2Å; V177-C181 VanDerWaalsContact O-SG 3.32Å; L178-C181 PolarHBondContact O-N 3.21Å; I179-C181 VanDerWaalsContact C-N 3.34Å; I179-C181 PolarHBondContact O-N 3.45Å; C181-I187 HydrophobicContact CB-CG2 4.27Å
182W82.2Confident83Confident198 Ų19882 Ų8275%0.7540%0.4SS*.Hα-helixtrans-73.5-33.7-179.3-167.25.7000113L178 I179 Y180 N188L178-W182 WeakPolarHBondContact O-CB 3.47Å; L178-W182 PolarHBondContact O-N 3.44Å; I179-W182 PolarHBondContact O-N 2.92Å; Y180-W182 VanDerWaalsContact C-N 3.3Å; Y180-W182 PolarHBondContact O-N 3.49Å; W182-N188 PolarHBondContact O-ND2 3.43Å
183Y79Confident83.5Confident91 Ų9185.5 Ų85.536%0.35742%0.421SS..Hα-helixtrans-80.2-29.2178.3-144.9-71.1000112.2R132 I179 Y180 K185R132-Y183 VanDerWaalsContact CD-CD1 3.49Å; R132-Y183 HydrophobicContact CG-CD1 3.53Å; R132-Y183 HydrophobicContact CG-CD2 3.77Å; R132-Y183 HydrophobicContact CG-CE1 3.39Å; R132-Y183 HydrophobicContact CG-CE2 3.56Å; R132-Y183 HydrophobicContact CG-CG 3.72Å; R132-Y183 VanDerWaalsContact NH2-CE1 3.33Å; I179-Y183 PolarHBondContact O-N 2.8Å; Y180-Y183 PolarHBondContact O-N 3.22Å; Y183-K185 PolarHBondContact O-N 2.96Å; Y183-K185 VanDerWaalsContact O-N 3.07Å
184N81.2Confident83.8Confident39 Ų3986 Ų8621%0.20942%0.424CS..  trans-72.8105.8180-166-20.7000111Y180 E186 I187 N188Y180-N184 WeakPolarHBondContact O-CB 3.35Å; Y180-N184 PolarHBondContact O-N 3.04Å; N184-E186 PolarHBondContact O-N 3.5Å; N184-E186 WeakPolarHBondContact OD1-CB 3.38Å; N184-E186 PolarHBondContact OD1-N 3.21Å; N184-I187 HydrophobicContact CB-CB 4.09Å; N184-I187 HydrophobicContact CB-CD1 3.81Å; N184-I187 HydrophobicContact CB-CG1 3.91Å; N184-I187 PolarHBondContact O-N 2.93Å; N184-N188 PolarHBondContact O-N 3.36Å; N184-N188 PolarHBondContact O-ND2 3.25Å
185K82.2Confident84Confident159 Ų15988.1 Ų88.169%0.69143%0.429SS*.Hα-helixtrans-59.2-33.9178.1-70.8-173.7179.3-178.60112.4Y183 K189Y183-K185 PolarHBondContact O-N 2.96Å; Y183-K185 VanDerWaalsContact O-N 3.07Å; K185-K189 WeakPolarHBondContact O-CB 3.48Å; K185-K189 WeakPolarHBondContact O-CG 3.41Å; K185-K189 PolarHBondContact O-N 3.3Å
186E83.2Confident84.4Confident113 Ų11393.5 Ų93.553%0.52845%0.45SS..Hα-helixtrans-65-46.9177.9-66.8-63.4120.600110.5N184 N188 K189 T190N184-E186 PolarHBondContact O-N 3.5Å; N184-E186 WeakPolarHBondContact OD1-CB 3.38Å; N184-E186 PolarHBondContact OD1-N 3.21Å; E186-N188 PolarHBondContact O-N 3.15Å; E186-K189 WeakPolarHBondContact O-CB 3.38Å; E186-K189 PolarHBondContact O-N 3.41Å; E186-K189 IonicContact OE1-NZ 3.34Å; E186-K189 PolarHBondContact OE1-NZ 3.42Å; E186-T190 PolarHBondContact O-N 3.43Å; E186-T190 PolarHBondContact O-OG1 3.12Å; E186-T190 VanDerWaalsContact O-OG1 3.08Å
187I80.6Confident84.5Confident47 Ų4797 Ų9724%0.24147%0.469CS..Hα-helixtrans-61.9-47.7177.1-62.7177.7000110.3Y180 C181 N184 K189 T190 V191Y180-I187 HydrophobicContact CD1-CD1 4.09Å; Y180-I187 HydrophobicContact CE1-CD1 3.73Å; C181-I187 HydrophobicContact CB-CG2 4.27Å; N184-I187 HydrophobicContact CB-CB 4.09Å; N184-I187 HydrophobicContact CB-CD1 3.81Å; N184-I187 HydrophobicContact CB-CG1 3.91Å; N184-I187 PolarHBondContact O-N 2.93Å; I187-K189 VanDerWaalsContact C-N 3.29Å; I187-K189 PolarHBondContact O-N 3.23Å; I187-T190 PolarHBondContact O-N 3.27Å; I187-T190 VanDerWaalsContact O-N 3.12Å; I187-V191 HydrophobicContact CG2-CG2 4.02Å; I187-V191 WeakPolarHBondContact O-CB 3.42Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.45Å; I187-V191 PolarHBondContact O-N 3.39Å
188N85.3Confident84.5Confident47 Ų4799 Ų9925%0.25147%0.473SS..Hα-helixtrans-60.9-36.6177.8-74.9-48.8000113.2W182 N184 E186 K192W182-N188 PolarHBondContact O-ND2 3.43Å; N184-N188 PolarHBondContact O-N 3.36Å; N184-N188 PolarHBondContact O-ND2 3.25Å; E186-N188 PolarHBondContact O-N 3.15Å; N188-K192 VanDerWaalsContact O-CB 3.28Å; N188-K192 WeakPolarHBondContact O-CB 3.25Å; N188-K192 WeakPolarHBondContact O-CG 3.5Å; N188-K192 PolarHBondContact O-N 2.88Å
189K86.4Confident84.5Confident117 Ų11799.4 Ų99.451%0.50947%0.471SS..Hα-helixtrans-63.5-49173.4-74168.7-170.4172.10109.9K185 E186 I187 K192 T193K185-K189 WeakPolarHBondContact O-CB 3.48Å; K185-K189 WeakPolarHBondContact O-CG 3.41Å; K185-K189 PolarHBondContact O-N 3.3Å; E186-K189 WeakPolarHBondContact O-CB 3.38Å; E186-K189 PolarHBondContact O-N 3.41Å; E186-K189 IonicContact OE1-NZ 3.34Å; E186-K189 PolarHBondContact OE1-NZ 3.42Å; I187-K189 VanDerWaalsContact C-N 3.29Å; I187-K189 PolarHBondContact O-N 3.23Å; K189-K192 PolarHBondContact O-N 3.28Å; K189-T193 PolarHBondContact O-N 3.23Å; K189-T193 PolarHBondContact O-OG1 2.99Å
190T86.1Confident84.2Confident78 Ų78102.3 Ų102.348%0.47949%0.492SS..Hα-helixtrans-60.5-46.6179.1-580000111.7E186 I187 K192 T193 L194E186-T190 PolarHBondContact O-N 3.43Å; E186-T190 PolarHBondContact O-OG1 3.12Å; E186-T190 VanDerWaalsContact O-OG1 3.08Å; I187-T190 PolarHBondContact O-N 3.27Å; I187-T190 VanDerWaalsContact O-N 3.12Å; T190-K192 PolarHBondContact O-N 3.36Å; T190-T193 WeakPolarHBondContact O-CB 3.37Å; T190-T193 PolarHBondContact O-N 2.89Å; T190-L194 HydrophobicContact CG2-CD1 4.2Å; T190-L194 HydrophobicContact CG2-CG 4.5Å; T190-L194 WeakPolarHBondContact O-CG 3.43Å; T190-L194 PolarHBondContact O-N 3.12Å
191V85.6Confident84Confident68 Ų68105.4 Ų105.441%0.41250%0.503SS..Hα-helixtrans-60.5-44.5175.6171.80000110.8I187 T193 L194 L195I187-V191 HydrophobicContact CG2-CG2 4.02Å; I187-V191 WeakPolarHBondContact O-CB 3.42Å; I187-V191 VanDerWaalsContact O-CG2 3.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.45Å; I187-V191 PolarHBondContact O-N 3.39Å; V191-T193 VanDerWaalsContact C-N 3.33Å; V191-T193 PolarHBondContact O-N 2.82Å; V191-L194 PolarHBondContact O-N 3.27Å; V191-L195 HydrophobicContact CG1-CD1 3.89Å; V191-L195 HydrophobicContact CG1-CG 4.31Å; V191-L195 WeakPolarHBondContact O-CB 3.5Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 3.44Å
192K88.4Confident83.1Confident140 Ų140106.5 Ų106.561%0.60952%0.522SS*.Hα-helixtrans-62.5-39.5174.9-76.4174.9-177.5-174.50112.3N188 K189 T190 K196N188-K192 VanDerWaalsContact O-CB 3.28Å; N188-K192 WeakPolarHBondContact O-CB 3.25Å; N188-K192 WeakPolarHBondContact O-CG 3.5Å; N188-K192 PolarHBondContact O-N 2.88Å; K189-K192 PolarHBondContact O-N 3.28Å; T190-K192 PolarHBondContact O-N 3.36Å; K192-K196 WeakPolarHBondContact O-CB 3.38Å; K192-K196 VanDerWaalsContact O-CG 3.31Å; K192-K196 WeakPolarHBondContact O-CG 3.36Å; K192-K196 PolarHBondContact O-N 3.37Å
193T88.6Confident82Confident80 Ų80107.2 Ų107.249%0.49152%0.524SS..Hα-helixtrans-64.4-45.7175.5-600000110.7K189 T190 V191 K196 L197K189-T193 PolarHBondContact O-N 3.23Å; K189-T193 PolarHBondContact O-OG1 2.99Å; T190-T193 WeakPolarHBondContact O-CB 3.37Å; T190-T193 PolarHBondContact O-N 2.89Å; V191-T193 VanDerWaalsContact C-N 3.33Å; V191-T193 PolarHBondContact O-N 2.82Å; T193-K196 PolarHBondContact O-N 3.41Å; T193-L197 HydrophobicContact CG2-CD1 4.33Å; T193-L197 VanDerWaalsContact O-CG 3.31Å; T193-L197 WeakPolarHBondContact O-CG 3.42Å; T193-L197 PolarHBondContact O-N 3.3Å
194L88.6Confident80.8Confident99 Ų99111 Ų11152%0.51854%0.543SS..Hα-helixtrans-63.6-42.3176.7-70.5174.2000112.3T190 V191 K196 L197 Q198T190-L194 HydrophobicContact CG2-CD1 4.2Å; T190-L194 HydrophobicContact CG2-CG 4.5Å; T190-L194 WeakPolarHBondContact O-CG 3.43Å; T190-L194 PolarHBondContact O-N 3.12Å; V191-L194 PolarHBondContact O-N 3.27Å; L194-K196 PolarHBondContact O-N 3.15Å; L194-L197 WeakPolarHBondContact O-CB 2.94Å; L194-L197 PolarHBondContact O-N 3.48Å; L194-Q198 PolarHBondContact O-N 3.18Å
195L88.4Confident79.3Confident87 Ų87116.3 Ų116.346%0.45557%0.57SS.*Hα-helixtrans-62.9-41.7175.6-74.8171.6000111.7V191 L197 Q198 Q199V191-L195 HydrophobicContact CG1-CD1 3.89Å; V191-L195 HydrophobicContact CG1-CG 4.31Å; V191-L195 WeakPolarHBondContact O-CB 3.5Å; V191-L195 VanDerWaalsContact O-CG 3.29Å; V191-L195 WeakPolarHBondContact O-CG 3.34Å; V191-L195 PolarHBondContact O-N 3.44Å; L195-L197 VanDerWaalsContact C-N 3.35Å; L195-Q198 PolarHBondContact O-N 2.88Å; L195-Q199 WeakPolarHBondContact O-CB 3.42Å; L195-Q199 WeakPolarHBondContact O-CG 3.44Å; L195-Q199 PolarHBondContact O-N 3.5Å
196K88.7Confident77.5Confident140 Ų140117.7 Ų117.761%0.60958%0.578SS**Hα-helixtrans-61.7-42.8172.6-76.2179.1179.3-173.20111.5K192 T193 L194 Q199 C200K192-K196 WeakPolarHBondContact O-CB 3.38Å; K192-K196 VanDerWaalsContact O-CG 3.31Å; K192-K196 WeakPolarHBondContact O-CG 3.36Å; K192-K196 PolarHBondContact O-N 3.37Å; T193-K196 PolarHBondContact O-N 3.41Å; L194-K196 PolarHBondContact O-N 3.15Å; K196-Q199 PolarHBondContact O-N 2.99Å; K196-C200 WeakPolarHBondContact O-CB 3.38Å; K196-C200 PolarHBondContact O-N 3.08Å; K196-C200 PolarHBondContact O-SG 3.21Å
197L85.9Confident75.9Confident105 Ų105117 Ų11755%0.5558%0.584SS.*Hα-helixtrans-63.8-39.6176.1-70.3172.9000112.1T193 L194 L195 C200 R201T193-L197 HydrophobicContact CG2-CD1 4.33Å; T193-L197 VanDerWaalsContact O-CG 3.31Å; T193-L197 WeakPolarHBondContact O-CG 3.42Å; T193-L197 PolarHBondContact O-N 3.3Å; L194-L197 WeakPolarHBondContact O-CB 2.94Å; L194-L197 PolarHBondContact O-N 3.48Å; L195-L197 VanDerWaalsContact C-N 3.35Å; L197-C200 PolarHBondContact O-N 2.85Å; L197-R201 WeakPolarHBondContact O-CB 3.43Å; L197-R201 PolarHBondContact O-N 3.07Å
198Q84.5Confident74.1Confident133 Ų133120.2 Ų120.262%0.62161%0.61SS**Hα-helixtrans-65.8-42.1174.2-77.1-171.1-56.500112.1L194 L195 C200 R201 G202L194-Q198 PolarHBondContact O-N 3.18Å; L195-Q198 PolarHBondContact O-N 2.88Å; Q198-C200 VanDerWaalsContact C-N 3.33Å; Q198-C200 PolarHBondContact O-N 3.47Å; Q198-R201 PolarHBondContact O-N 3.43Å; Q198-G202 PolarHBondContact O-N 3.03Å
199Q82.9Confident71.9Confident129 Ų129123.7 Ų123.760%0.60364%0.637SS**Hα-helixtrans-62.2-39.4174-74.7177.7-13.700112L195 K196 R203L195-Q199 WeakPolarHBondContact O-CB 3.42Å; L195-Q199 WeakPolarHBondContact O-CG 3.44Å; L195-Q199 PolarHBondContact O-N 3.5Å; K196-Q199 PolarHBondContact O-N 2.99Å; Q199-R203 PolarHBondContact O-N 2.98Å
200C77Confident69.9Low85 Ų85122.5 Ų122.557%0.57464%0.643SS**Hα-helixtrans-69.7-37.5174.4-69.90000112.4K196 L197 Q198 G202 R203K196-C200 WeakPolarHBondContact O-CB 3.38Å; K196-C200 PolarHBondContact O-N 3.08Å; K196-C200 PolarHBondContact O-SG 3.21Å; L197-C200 PolarHBondContact O-N 2.85Å; Q198-C200 VanDerWaalsContact C-N 3.33Å; Q198-C200 PolarHBondContact O-N 3.47Å; C200-G202 VanDerWaalsContact C-N 3.34Å; C200-R203 PolarHBondContact O-N 3.21Å
201R76.2Confident68Low215 Ų215127.8 Ų127.881%0.81166%0.663SS**Hα-helixtrans-67.2-36.3176.3-166175.9-173.2179.71.8111.5L197 Q198 R203L197-R201 WeakPolarHBondContact O-CB 3.43Å; L197-R201 PolarHBondContact O-N 3.07Å; Q198-R201 PolarHBondContact O-N 3.43Å; R201-R203 VanDerWaalsContact C-N 3.27Å; R201-R203 PolarHBondContact O-N 3.06Å
202G62.9Low66.3Low67 Ų67130 Ų13069%0.69168%0.676SS**THydrogen-bonded Turntrans-72.1-13.5173.700000114.7Q198 C200Q198-G202 PolarHBondContact O-N 3.03Å; C200-G202 VanDerWaalsContact C-N 3.34Å
203R60.7Low64Low212 Ų212130.9 Ų130.980%0.869%0.688SS**THydrogen-bonded Turntrans-96.512-179.9-144.6-172.5-68.8-173.3-3.5114.4Q199 C200 R201Q199-R203 PolarHBondContact O-N 2.98Å; C200-R203 PolarHBondContact O-N 3.21Å; R201-R203 VanDerWaalsContact C-N 3.27Å; R201-R203 PolarHBondContact O-N 3.06Å
204K52.5Low62Low172 Ų172136.6 Ų136.675%0.74870%0.7SS**  trans-109.1113.7160.3-65.8-177.4178.6-174.90104.3
205I51.1Low60Low150 Ų150137.6 Ų137.677%0.76971%0.711SS**  cis-155.1112.748.9-68.5149.4000106.3P207I205-P207 HydrophobicContact CG2-CB 4.39Å; I205-P207 HydrophobicContact CG2-CG 4.25Å
206E44.7Very low58.1Low188 Ų188139.8 Ų139.888%0.87973%0.727SS**  trans-103.8104.2153.2-153.9172.7179.100104.5S208E206-S208 PolarHBondContact O-N 2.84Å
207P47.8Very low55.8Low98 Ų98141.6 Ų141.664%0.63674%0.74SS**  trans-72.2105.1175.326.8-20.2000105.8I205 C209I205-P207 HydrophobicContact CG2-CB 4.39Å; I205-P207 HydrophobicContact CG2-CG 4.25Å; P207-C209 PolarHBondContact O-N 3.03Å
208S43.3Very low53.9Low114 Ų114145.1 Ų145.180%0.79775%0.752SS**  trans-64.886.8164.1-178.40000107.5E206 S210E206-S208 PolarHBondContact O-N 2.84Å; S208-S210 PolarHBondContact O-N 3.29Å
209C38.6Very low52Low120 Ų120147.8 Ų147.881%0.81176%0.764SS**  trans-90.577.5171.9-162.40000106.8P207P207-C209 PolarHBondContact O-N 3.03Å
210S45.6Very low50Low93 Ų93149.8 Ų149.865%0.6577%0.773SS**  trans-179.466.4165.6500000113.5S208S208-S210 PolarHBondContact O-N 3.29Å
211Q46.7Very low48.3Very low189 Ų189158.8 Ų158.888%0.88381%0.807SS**  trans-147.155.2139.9-80-148.4-25.600109.8N213Q211-N213 VanDerWaalsContact C-N 3.25Å
212V48.3Very low46.9Very low115 Ų115156 Ų15670%0.69781%0.807SS**  trans-94.372.5149.5-178.60000105.5R214V212-R214 HydrophobicContact CG1-CB 3.84Å; V212-R214 PolarHBondContact O-N 2.75Å
213N41.7Very low46.1Very low158 Ų158160.7 Ų160.785%0.84581%0.813SS**  trans-78.579.6162-123.410.4000106.2Q211Q211-N213 VanDerWaalsContact C-N 3.25Å
214R45.5Very low45.3Very low200 Ų200157.8 Ų157.876%0.75581%0.814SS**  trans-97136.5165-168.4-173-68.1-179.1-1.5104.5V212V212-R214 HydrophobicContact CG1-CB 3.84Å; V212-R214 PolarHBondContact O-N 2.75Å
215T47.3Very low44.9Very low120 Ų120157 Ų15774%0.73682%0.818SS**  trans77.6107.1-166.868.80000112.2
216T47.2Very low44.5Very low132 Ų132157.4 Ų157.481%0.8182%0.821SS**  -158.411551.540.10000110.9
217M41.5Very low44.4Very low179 Ų179155.4 Ų155.488%0.88282%0.817SS**  trans-142.1103.8153.4-98.2-155.1-146.900108.4
218F46.5Very low44.2Very low179 Ų179159.5 Ų159.579%0.78583%0.83SS**  trans44.3103.5138.6-70.7-87.8000119
219Q43.8Very low44.3Very low189 Ų189163 Ų16388%0.88383%0.832SS**  trans-163.898134.1-106174.1-46.800104.8
220E40.5Very low44.8Very low171 Ų171166.6 Ų166.680%0.79983%0.834SS**  53127.978.9-82.1-174.7149.800113.6
221E42.4Very low44.7Very low274 Ų274173.3 Ų173.3100%1.2885%0.85SS**  trans93.30171.1-56.6-175.4156.600117.8

Retrieved 221 of 221 residues in 62.5 ms (Link to these results)

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