A0A077ZH72_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZH72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 118 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
1M49.3Very low78.4Confident188 Ų18878.3 Ų78.393%0.92644%0.444SS*.  0122.20-71.1-168.1128.500106.2G3 I32M1-G3 PolarHBondContact O-N 2.9Å; M1-I32 HydrophobicContact SD-CG2 4.44Å
2D60.8Low79.7Confident149 Ų14972.5 Ų72.580%0.79741%0.411SS*.  trans-56.1132.7166.9-51.6-59000106.6Q36D2-Q36 PolarHBondContact O-OE1 3.35Å
3G64.2Low80.8Confident38 Ų3867.1 Ų67.139%0.39238%0.38SS..  trans-60.5-156.7-175.800000113.2M1 G5 R7M1-G3 PolarHBondContact O-N 2.9Å; G3-G5 PolarHBondContact O-N 3.06Å; G3-R7 PolarHBondContact O-NH2 2.89Å
4L64.2Low81.7Confident6 Ų666.6 Ų66.63%0.03138%0.383CS..SBendtrans-51.6-29.9177.7-82.4157.2000113.7D6 R7 P9 L12 I37 W64L4-D6 PolarHBondContact O-N 2.79Å; L4-R7 WeakPolarHBondContact CD2-O 3.45Å; L4-R7 VanDerWaalsContact O-CB 3.27Å; L4-R7 WeakPolarHBondContact O-CB 3.2Å; L4-R7 PolarHBondContact O-N 2.93Å; L4-R7 PolarHBondContact O-NE 3.03Å; L4-P9 HydrophobicContact CD1-CG 4.3Å; L4-P9 HydrophobicContact CD2-CG 4.36Å; L4-L12 HydrophobicContact CD2-CB 3.89Å; L4-L12 HydrophobicContact CD2-CD2 3.72Å; L4-L12 HydrophobicContact CD2-CG 4.41Å; L4-L12 HydrophobicContact CG-CD2 4.32Å; L4-I37 HydrophobicContact CD1-CD1 3.75Å; L4-I37 HydrophobicContact CD2-CD1 4.25Å; L4-I37 HydrophobicContact CG-CD1 4.28Å; L4-W64 HydrophobicContact CB-CH2 4.24Å; L4-W64 HydrophobicContact CB-CZ3 4.46Å; L4-W64 HydrophobicContact CD1-CE3 3.72Å; L4-W64 HydrophobicContact CD1-CH2 3.89Å; L4-W64 HydrophobicContact CD1-CZ3 3.29Å
5G78Confident82.4Confident59 Ų5968.2 Ų68.261%0.60839%0.386SS*.THydrogen-bonded Turntrans57.8-127.2-175.300000109.1G3G3-G5 PolarHBondContact O-N 3.06Å
6D82Confident83Confident174 Ų17465.3 Ų65.393%0.9337%0.368SS*.THydrogen-bonded Turntrans-88.3-1.6174.5-61.1-34.8000113.6L4L4-D6 PolarHBondContact O-N 2.79Å
7R87.8Confident83.6Confident84 Ų8463.1 Ų63.132%0.31736%0.355SS..  trans-80.3146.3-176.7-63.7171.5-75-173.8-4.2111.1G3 L4 Q11 E15G3-R7 PolarHBondContact O-NH2 2.89Å; L4-R7 WeakPolarHBondContact CD2-O 3.45Å; L4-R7 VanDerWaalsContact O-CB 3.27Å; L4-R7 WeakPolarHBondContact O-CB 3.2Å; L4-R7 PolarHBondContact O-N 2.93Å; L4-R7 PolarHBondContact O-NE 3.03Å; R7-Q11 HydrophobicContact CB-CB 4.34Å; R7-E15 WeakPolarHBondContact CD-OE1 3.15Å; R7-E15 IonicContact CZ-OE2 3.77Å; R7-E15 IonicContact NH1-OE2 2.71Å; R7-E15 PolarHBondContact NH1-OE2 2.73Å
8T92.7Very high84.1Confident39 Ų3964.2 Ų64.224%0.23937%0.373CS..  trans-80.9153.9167.472.60000110.9S10 Q11 L12 D61T8-S10 PolarHBondContact O-N 2.67Å; T8-Q11 WeakPolarHBondContact O-CB 3.38Å; T8-Q11 PolarHBondContact O-N 2.66Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.38Å; T8-Q11 PolarHBondContact OG1-N 2.74Å; T8-L12 PolarHBondContact O-N 3.04Å; T8-D61 WeakPolarHBondContact CB-OD1 3.43Å
9P94.6Very high84.4Confident0 Ų068.5 Ų68.50%039%0.394CS..Hα-helixtrans-46.4-40.9170.9-28.530.8000114.7L4 L12 M13 F33 I37 A60 D61 W64L4-P9 HydrophobicContact CD1-CG 4.3Å; L4-P9 HydrophobicContact CD2-CG 4.36Å; P9-L12 PolarHBondContact O-N 2.57Å; P9-M13 WeakPolarHBondContact O-CB 3.05Å; P9-M13 PolarHBondContact O-N 3.24Å; P9-F33 HydrophobicContact CB-CE2 4.47Å; P9-F33 HydrophobicContact CB-CZ 4.07Å; P9-F33 WeakPolarHBondContact O-CE2 3.36Å; P9-I37 HydrophobicContact CB-CD1 3.99Å; P9-I37 HydrophobicContact CG-CD1 4.07Å; P9-A60 HydrophobicContact CB-CB 3.59Å; P9-A60 HydrophobicContact CG-CB 3.97Å; P9-D61 WeakPolarHBondContact CA-OD1 3.45Å; P9-D61 VanDerWaalsContact CB-OD1 3.26Å; P9-D61 WeakPolarHBondContact CB-OD1 3.46Å; P9-D61 WeakPolarHBondContact CD-OD1 3.27Å; P9-D61 WeakPolarHBondContact CG-OD1 3.23Å; P9-W64 HydrophobicContact CG-CB 4.17Å; P9-W64 HydrophobicContact CG-CG 4.37Å
10S94.3Very high84.6Confident26 Ų2666.7 Ų66.718%0.18238%0.382CS..Hα-helixtrans-66.6-36.8175.8-63.70000114.3T8 M13 S14 D61T8-S10 PolarHBondContact O-N 2.67Å; S10-M13 PolarHBondContact O-N 2.75Å; S10-S14 WeakPolarHBondContact O-CB 3.44Å; S10-S14 PolarHBondContact O-N 2.99Å; S10-S14 PolarHBondContact O-OG 3.05Å; S10-D61 WeakPolarHBondContact CB-OD2 3.48Å; S10-D61 PolarHBondContact N-OD1 3.37Å; S10-D61 PolarHBondContact OG-OD2 2.85Å
11Q94.7Very high84.6Confident98 Ų9871.2 Ų71.246%0.45841%0.406SS..Hα-helixtrans-66.4-47.4175-71.5171.9-25.600110.4R7 T8 M13 S14 E15R7-Q11 HydrophobicContact CB-CB 4.34Å; T8-Q11 WeakPolarHBondContact O-CB 3.38Å; T8-Q11 PolarHBondContact O-N 2.66Å; T8-Q11 WeakPolarHBondContact OG1-CG 3.38Å; T8-Q11 PolarHBondContact OG1-N 2.74Å; Q11-M13 VanDerWaalsContact C-N 3.3Å; Q11-M13 PolarHBondContact O-N 3.16Å; Q11-S14 WeakPolarHBondContact O-CB 3.2Å; Q11-S14 PolarHBondContact O-N 3.36Å; Q11-S14 VanDerWaalsContact O-N 3.11Å; Q11-E15 PolarHBondContact O-N 3.12Å
12L94.1Very high86.3Confident9 Ų966 Ų665%0.04740%0.4CS..Hα-helixtrans-56-46.3174.8175.367.7000111.2L4 T8 P9 S14 E15 M16 F33 Q36 I37L4-L12 HydrophobicContact CD2-CB 3.89Å; L4-L12 HydrophobicContact CD2-CD2 3.72Å; L4-L12 HydrophobicContact CD2-CG 4.41Å; L4-L12 HydrophobicContact CG-CD2 4.32Å; T8-L12 PolarHBondContact O-N 3.04Å; P9-L12 PolarHBondContact O-N 2.57Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 3.08Å; L12-E15 PolarHBondContact O-N 2.6Å; L12-M16 HydrophobicContact CD1-CG 4.26Å; L12-M16 HydrophobicContact CD1-SD 4.29Å; L12-M16 HydrophobicContact CG-CG 4.43Å; L12-M16 HydrophobicContact CG-SD 4.09Å; L12-M16 WeakPolarHBondContact O-CB 3.34Å; L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.39Å; L12-M16 PolarHBondContact O-N 3.03Å; L12-F33 HydrophobicContact CD2-CD2 3.92Å; L12-F33 HydrophobicContact CD2-CE2 4.03Å; L12-F33 HydrophobicContact CG-CD2 4.24Å; L12-F33 HydrophobicContact CG-CE2 4.36Å; L12-Q36 HydrophobicContact CD1-CG 4.47Å; L12-Q36 HydrophobicContact CD2-CB 3.42Å; L12-Q36 VanDerWaalsContact CD2-CB 3.42Å; L12-Q36 HydrophobicContact CD2-CG 3.91Å; L12-I37 HydrophobicContact CD2-CD1 4.34Å
13M94.1Very high87.5Confident2 Ų264.4 Ų64.41%0.0139%0.387CS..Hα-helixtrans-61.5-39.8178.4-174.658.477.500112.1P9 S10 Q11 M16 L17 F29 F33 P53 A57P9-M13 WeakPolarHBondContact O-CB 3.05Å; P9-M13 PolarHBondContact O-N 3.24Å; S10-M13 PolarHBondContact O-N 2.75Å; Q11-M13 VanDerWaalsContact C-N 3.3Å; Q11-M13 PolarHBondContact O-N 3.16Å; M13-M16 PolarHBondContact O-N 2.71Å; M13-L17 HydrophobicContact CG-CD1 4.14Å; M13-L17 HydrophobicContact CG-CG 4.38Å; M13-L17 WeakPolarHBondContact O-CB 3.43Å; M13-L17 VanDerWaalsContact O-CG 3.24Å; M13-L17 WeakPolarHBondContact O-CG 3.34Å; M13-L17 PolarHBondContact O-N 2.8Å; M13-L17 HydrophobicContact SD-CG 4.34Å; M13-F29 HydrophobicContact CE-CE1 4.36Å; M13-F29 HydrophobicContact SD-CE1 3.49Å; M13-F29 WeakPolarHBondContact SD-CE1 3.29Å; M13-F29 HydrophobicContact SD-CZ 3.74Å; M13-F33 HydrophobicContact CB-CD2 4.41Å; M13-F33 HydrophobicContact CB-CE2 3.96Å; M13-F33 HydrophobicContact CE-CB 4.06Å; M13-F33 HydrophobicContact CE-CD1 3.54Å; M13-F33 HydrophobicContact CE-CD2 3.35Å; M13-F33 HydrophobicContact CE-CE1 3.7Å; M13-F33 HydrophobicContact CE-CE2 3.52Å; M13-F33 HydrophobicContact CE-CG 3.35Å; M13-F33 HydrophobicContact CE-CZ 3.68Å; M13-F33 HydrophobicContact SD-CD2 4.2Å; M13-F33 HydrophobicContact SD-CE2 4.5Å; M13-P53 HydrophobicContact CE-CB 3.91Å; M13-P53 WeakPolarHBondContact CE-O 3.26Å; M13-P53 HydrophobicContact CG-CB 4.5Å; M13-P53 HydrophobicContact SD-CB 3.74Å; M13-A57 HydrophobicContact CB-CB 3.39Å; M13-A57 HydrophobicContact CE-CB 4.19Å; M13-A57 HydrophobicContact CG-CB 3.69Å
14S93.2Very high88.7Confident61 Ų6169.9 Ų69.943%0.42740%0.403SS..Hα-helixtrans-65.7-40.7179.1-59.60000111.9S10 Q11 L12 L17 A18S10-S14 WeakPolarHBondContact O-CB 3.44Å; S10-S14 PolarHBondContact O-N 2.99Å; S10-S14 PolarHBondContact O-OG 3.05Å; Q11-S14 WeakPolarHBondContact O-CB 3.2Å; Q11-S14 PolarHBondContact O-N 3.36Å; Q11-S14 VanDerWaalsContact O-N 3.11Å; L12-S14 VanDerWaalsContact C-N 3.29Å; L12-S14 PolarHBondContact O-N 3.08Å; S14-L17 PolarHBondContact O-N 3.48Å; S14-A18 PolarHBondContact O-N 3.08Å; S14-A18 VanDerWaalsContact O-N 3.08Å
15E92.4Very high89.7Confident90 Ų9071.8 Ų71.842%0.42142%0.415SS..Hα-helixtrans-63.9-46.4173.6-70.7172.3-166.500111.5R7 Q11 L12 L17 A18 L19R7-E15 WeakPolarHBondContact CD-OE1 3.15Å; R7-E15 IonicContact CZ-OE2 3.77Å; R7-E15 IonicContact NH1-OE2 2.71Å; R7-E15 PolarHBondContact NH1-OE2 2.73Å; Q11-E15 PolarHBondContact O-N 3.12Å; L12-E15 PolarHBondContact O-N 2.6Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.3Å; E15-A18 WeakPolarHBondContact O-CB 2.84Å; E15-A18 PolarHBondContact O-N 3.11Å; E15-L19 PolarHBondContact O-N 3Å
16M92.3Very high90.1Very high21 Ų2171.6 Ų71.610%0.10340%0.404CS..Hα-helixtrans-60.5-43.4177.6-71.4-176.962.300111.5L12 M13 A18 L19 F29 I32 F33L12-M16 HydrophobicContact CD1-CG 4.26Å; L12-M16 HydrophobicContact CD1-SD 4.29Å; L12-M16 HydrophobicContact CG-CG 4.43Å; L12-M16 HydrophobicContact CG-SD 4.09Å; L12-M16 WeakPolarHBondContact O-CB 3.34Å; L12-M16 VanDerWaalsContact O-CG 3.29Å; L12-M16 WeakPolarHBondContact O-CG 3.39Å; L12-M16 PolarHBondContact O-N 3.03Å; M13-M16 PolarHBondContact O-N 2.71Å; M16-A18 VanDerWaalsContact C-N 3.3Å; M16-A18 PolarHBondContact O-N 2.71Å; M16-L19 WeakPolarHBondContact O-CB 3.41Å; M16-L19 PolarHBondContact O-N 2.65Å; M16-L19 VanDerWaalsContact O-N 3.14Å; M16-F29 HydrophobicContact CB-CE2 3.52Å; M16-F29 HydrophobicContact CB-CZ 3.55Å; M16-F29 HydrophobicContact CE-CD2 4.01Å; M16-F29 HydrophobicContact CE-CE1 4.45Å; M16-F29 HydrophobicContact CE-CE2 3.88Å; M16-F29 HydrophobicContact CE-CG 4.37Å; M16-F29 HydrophobicContact CE-CZ 4.09Å; M16-F29 WeakPolarHBondContact CE-O 3.45Å; M16-F29 WeakPolarHBondContact O-CE2 3.01Å; M16-I32 HydrophobicContact CE-CB 4.01Å; M16-I32 HydrophobicContact CE-CG2 3.73Å; M16-F33 HydrophobicContact CE-CB 3.82Å; M16-F33 HydrophobicContact SD-CB 3.81Å; M16-F33 HydrophobicContact SD-CD2 3.9Å; M16-F33 HydrophobicContact SD-CG 4.37Å
17L92.8Very high90.4Very high29 Ų2971.4 Ų71.415%0.15240%0.395CS..Hα-helixtrans-63.7-34.1176.9-73.2174.2000112.5M13 S14 E15 L19 L20 P25 F29 P53 R54M13-L17 HydrophobicContact CG-CD1 4.14Å; M13-L17 HydrophobicContact CG-CG 4.38Å; M13-L17 WeakPolarHBondContact O-CB 3.43Å; M13-L17 VanDerWaalsContact O-CG 3.24Å; M13-L17 WeakPolarHBondContact O-CG 3.34Å; M13-L17 PolarHBondContact O-N 2.8Å; M13-L17 HydrophobicContact SD-CG 4.34Å; S14-L17 PolarHBondContact O-N 3.48Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.3Å; L17-L19 PolarHBondContact O-N 2.72Å; L17-L20 HydrophobicContact CD2-CD1 3.68Å; L17-L20 PolarHBondContact O-N 2.6Å; L17-P25 HydrophobicContact CD2-CG 4.03Å; L17-F29 HydrophobicContact CD2-CE1 4.08Å; L17-F29 HydrophobicContact CD2-CE2 4.47Å; L17-F29 HydrophobicContact CD2-CZ 3.68Å; L17-F29 HydrophobicContact CG-CZ 3.97Å; L17-P53 HydrophobicContact CD2-CG 4.01Å; L17-R54 HydrophobicContact CD1-CG 3.75Å
18A92Very high90.5Very high82 Ų8272.7 Ų72.768%0.67841%0.408SS*.Hα-helixtrans-65.7-24.9175.900000112.8S14 E15 M16S14-A18 PolarHBondContact O-N 3.08Å; S14-A18 VanDerWaalsContact O-N 3.08Å; E15-A18 WeakPolarHBondContact O-CB 2.84Å; E15-A18 PolarHBondContact O-N 3.11Å; M16-A18 VanDerWaalsContact C-N 3.3Å; M16-A18 PolarHBondContact O-N 2.71Å
19L90.7Very high90.4Very high147 Ų14771.5 Ų71.577%0.7740%0.4SS*.THydrogen-bonded Turntrans-81.6-13.3177.5-63.7174000113.8E15 M16 L17 D21E15-L19 PolarHBondContact O-N 3Å; M16-L19 WeakPolarHBondContact O-CB 3.41Å; M16-L19 PolarHBondContact O-N 2.65Å; M16-L19 VanDerWaalsContact O-N 3.14Å; L17-L19 PolarHBondContact O-N 2.72Å; L19-D21 VanDerWaalsContact C-N 3.27Å; L19-D21 PolarHBondContact O-N 2.75Å
20L89Confident90.1Very high31 Ų3175 Ų7516%0.16241%0.413CS..THydrogen-bonded Turntrans-73-17.5-176.8-79.4168.9000113.5L17 G22 H23 P25 F29L17-L20 HydrophobicContact CD2-CD1 3.68Å; L17-L20 PolarHBondContact O-N 2.6Å; L20-G22 PolarHBondContact O-N 3.49Å; L20-G22 VanDerWaalsContact O-N 3.1Å; L20-H23 HydrophobicContact CB-CB 4.37Å; L20-H23 WeakPolarHBondContact CB-O 3.4Å; L20-H23 WeakPolarHBondContact CD1-O 3.27Å; L20-H23 HydrophobicContact CD2-CB 4.11Å; L20-H23 WeakPolarHBondContact O-CB 3.31Å; L20-H23 PolarHBondContact O-N 3.17Å; L20-P25 HydrophobicContact CD1-CB 4.39Å; L20-P25 HydrophobicContact CD1-CG 4.2Å; L20-F29 HydrophobicContact CD1-CD2 3.76Å; L20-F29 HydrophobicContact CD1-CE2 3.49Å; L20-F29 VanDerWaalsContact CD1-CE2 3.49Å; L20-F29 HydrophobicContact CD1-CG 4.37Å; L20-F29 HydrophobicContact CD1-CZ 3.94Å; L20-F29 HydrophobicContact CD2-CD2 3.75Å; L20-F29 HydrophobicContact CD2-CE2 4.17Å; L20-F29 HydrophobicContact CD2-CG 4.49Å; L20-F29 HydrophobicContact CG-CD2 3.86Å; L20-F29 HydrophobicContact CG-CE2 3.73Å
21D84.3Confident89.9Confident162 Ų16277.3 Ų77.387%0.86642%0.421SS*.THydrogen-bonded Turntrans45.543.6177.9-162.735000114L19L19-D21 VanDerWaalsContact C-N 3.27Å; L19-D21 PolarHBondContact O-N 2.75Å
22G83.8Confident89.8Confident78 Ų7875.3 Ų75.380%0.80441%0.413SS*.THydrogen-bonded Turntrans87.7-1.6-178.900000115.6L20L20-G22 PolarHBondContact O-N 3.49Å; L20-G22 VanDerWaalsContact O-N 3.1Å
23H87.5Confident89.7Confident116 Ų11674.9 Ų74.954%0.53741%0.41SS..  trans-73.8134.5169.6-171.6-80.2000110.9L20L20-H23 HydrophobicContact CB-CB 4.37Å; L20-H23 WeakPolarHBondContact CB-O 3.4Å; L20-H23 WeakPolarHBondContact CD1-O 3.27Å; L20-H23 HydrophobicContact CD2-CB 4.11Å; L20-H23 WeakPolarHBondContact O-CB 3.31Å; L20-H23 PolarHBondContact O-N 3.17Å
24E87.4Confident89.5Confident154 Ų15475.8 Ų75.872%0.7242%0.415SS*.  trans-69.5146.9177.9-76.1-69.4110.700111.7C26E24-C26 PolarHBondContact O-N 2.65Å
25P86.5Confident89.5Confident45 Ų4578.1 Ų78.129%0.29242%0.419SS..  trans-60.6108.1179.8-14.324.7000111.4L17 L20 F29 P53L17-P25 HydrophobicContact CD2-CG 4.03Å; L20-P25 HydrophobicContact CD1-CB 4.39Å; L20-P25 HydrophobicContact CD1-CG 4.2Å; P25-F29 HydrophobicContact CB-CD1 3.72Å; P25-F29 HydrophobicContact CB-CE1 4.07Å; P25-F29 HydrophobicContact CB-CG 4.27Å; P25-P53 HydrophobicContact CB-CB 4.46Å; P25-P53 HydrophobicContact CB-CG 4.01Å; P25-P53 HydrophobicContact CG-CG 3.63Å
26C87.1Confident89.4Confident56 Ų5675 Ų7538%0.37840%0.404SS..  trans-89.7176-179.467.30000112.6E24 L28 F29 R30E24-C26 PolarHBondContact O-N 2.65Å; C26-L28 VanDerWaalsContact C-N 3.26Å; C26-L28 PolarHBondContact O-N 3.42Å; C26-F29 VanDerWaalsContact O-CB 3.31Å; C26-F29 WeakPolarHBondContact O-CB 3.27Å; C26-F29 PolarHBondContact O-N 3.35Å; C26-F29 VanDerWaalsContact O-N 3.1Å; C26-R30 PolarHBondContact O-N 3.16Å; C26-R30 VanDerWaalsContact O-N 3.11Å
27F87.6Confident89.4Confident169 Ų16974.2 Ų74.274%0.74140%0.401SS*.Hα-helixtrans-55.8-42176.8178.9-93.6000112.4F29 R30 Q31F27-F29 VanDerWaalsContact C-N 3.33Å; F27-F29 PolarHBondContact O-N 2.74Å; F27-R30 PolarHBondContact O-N 3Å; F27-Q31 PolarHBondContact O-N 2.78Å
28L89.2Confident89.3Confident111 Ų11174.5 Ų74.558%0.58141%0.405SS*.Hα-helixtrans-62.5-41.3177.4178.561.7000111.5C26 R30 Q31 I32C26-L28 VanDerWaalsContact C-N 3.26Å; C26-L28 PolarHBondContact O-N 3.42Å; L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 2.94Å; L28-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 VanDerWaalsContact O-N 3.16Å; L28-I32 HydrophobicContact CD1-CD1 4.08Å; L28-I32 HydrophobicContact CD1-CG1 4.12Å; L28-I32 HydrophobicContact CD2-CD1 4.48Å; L28-I32 HydrophobicContact CG-CD1 3.84Å; L28-I32 HydrophobicContact CG-CG1 4.34Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.43Å; L28-I32 PolarHBondContact O-N 3.41Å
29F90.2Very high89.2Confident15 Ų1574.7 Ų74.77%0.06640%0.397CS..Hα-helixtrans-57.6-47.6175.7177.6-88.4000111.5M13 M16 L17 L20 P25 C26 F27 Q31 I32 F33 P53M13-F29 HydrophobicContact CE-CE1 4.36Å; M13-F29 HydrophobicContact SD-CE1 3.49Å; M13-F29 WeakPolarHBondContact SD-CE1 3.29Å; M13-F29 HydrophobicContact SD-CZ 3.74Å; M16-F29 HydrophobicContact CB-CE2 3.52Å; M16-F29 HydrophobicContact CB-CZ 3.55Å; M16-F29 HydrophobicContact CE-CD2 4.01Å; M16-F29 HydrophobicContact CE-CE1 4.45Å; M16-F29 HydrophobicContact CE-CE2 3.88Å; M16-F29 HydrophobicContact CE-CG 4.37Å; M16-F29 HydrophobicContact CE-CZ 4.09Å; M16-F29 WeakPolarHBondContact CE-O 3.45Å; M16-F29 WeakPolarHBondContact O-CE2 3.01Å; L17-F29 HydrophobicContact CD2-CE1 4.08Å; L17-F29 HydrophobicContact CD2-CE2 4.47Å; L17-F29 HydrophobicContact CD2-CZ 3.68Å; L17-F29 HydrophobicContact CG-CZ 3.97Å; L20-F29 HydrophobicContact CD1-CD2 3.76Å; L20-F29 HydrophobicContact CD1-CE2 3.49Å; L20-F29 VanDerWaalsContact CD1-CE2 3.49Å; L20-F29 HydrophobicContact CD1-CG 4.37Å; L20-F29 HydrophobicContact CD1-CZ 3.94Å; L20-F29 HydrophobicContact CD2-CD2 3.75Å; L20-F29 HydrophobicContact CD2-CE2 4.17Å; L20-F29 HydrophobicContact CD2-CG 4.49Å; L20-F29 HydrophobicContact CG-CD2 3.86Å; L20-F29 HydrophobicContact CG-CE2 3.73Å; P25-F29 HydrophobicContact CB-CD1 3.72Å; P25-F29 HydrophobicContact CB-CE1 4.07Å; P25-F29 HydrophobicContact CB-CG 4.27Å; C26-F29 VanDerWaalsContact O-CB 3.31Å; C26-F29 WeakPolarHBondContact O-CB 3.27Å; C26-F29 PolarHBondContact O-N 3.35Å; C26-F29 VanDerWaalsContact O-N 3.1Å; F27-F29 VanDerWaalsContact C-N 3.33Å; F27-F29 PolarHBondContact O-N 2.74Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3.43Å; F29-I32 PolarHBondContact O-N 3.45Å; F29-F33 PolarHBondContact O-N 2.95Å; F29-P53 HydrophobicContact CE1-CB 4.16Å
30R89.1Confident89.1Confident74 Ų7471 Ų7128%0.27938%0.378SS..Hα-helixtrans-61.4-41.9175.5-177.1176.9179.9175.92.5111.5C26 F27 L28 F33 L34 I48 L56C26-R30 PolarHBondContact O-N 3.16Å; C26-R30 VanDerWaalsContact O-N 3.11Å; F27-R30 PolarHBondContact O-N 3Å; L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 2.94Å; R30-F33 WeakPolarHBondContact O-CB 3.21Å; R30-F33 PolarHBondContact O-N 3.48Å; R30-L34 HydrophobicContact CG-CD1 4.16Å; R30-L34 HydrophobicContact CG-CG 4.44Å; R30-L34 VanDerWaalsContact O-CG 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.49Å; R30-L34 PolarHBondContact O-N 3.17Å; R30-I48 PolarHBondContact NH2-O 3.43Å; R30-L56 HydrophobicContact CG-CD2 4.12Å
31Q90.6Very high89.2Confident74 Ų7469.7 Ų69.735%0.34637%0.371SS..Hα-helixtrans-64.2-46179.7-178.566.1-600111.8F27 L28 F29 F33 L34 E35F27-Q31 PolarHBondContact O-N 2.78Å; L28-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 VanDerWaalsContact O-N 3.16Å; F29-Q31 VanDerWaalsContact C-N 3.32Å; F29-Q31 PolarHBondContact O-N 3.43Å; Q31-F33 VanDerWaalsContact C-N 3.26Å; Q31-F33 PolarHBondContact O-N 3.12Å; Q31-L34 PolarHBondContact O-N 3.27Å; Q31-L34 VanDerWaalsContact O-N 3.16Å; Q31-E35 PolarHBondContact NE2-OE1 3Å; Q31-E35 WeakPolarHBondContact O-CG 3.49Å; Q31-E35 PolarHBondContact O-N 3.32Å
32I91.8Very high89.5Confident56 Ų5665.9 Ų65.929%0.28735%0.345SS..Hα-helixtrans-58-43.2175.9-68.3166.7000110.1M1 M16 L28 F29 E35 Q36M1-I32 HydrophobicContact SD-CG2 4.44Å; M16-I32 HydrophobicContact CE-CB 4.01Å; M16-I32 HydrophobicContact CE-CG2 3.73Å; L28-I32 HydrophobicContact CD1-CD1 4.08Å; L28-I32 HydrophobicContact CD1-CG1 4.12Å; L28-I32 HydrophobicContact CD2-CD1 4.48Å; L28-I32 HydrophobicContact CG-CD1 3.84Å; L28-I32 HydrophobicContact CG-CG1 4.34Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.43Å; L28-I32 PolarHBondContact O-N 3.41Å; F29-I32 PolarHBondContact O-N 3.45Å; I32-E35 PolarHBondContact O-N 2.99Å; I32-Q36 WeakPolarHBondContact O-CG 3.41Å; I32-Q36 PolarHBondContact O-N 2.91Å
33F91.8Very high89.8Confident0 Ų067.7 Ų67.70%034%0.335CS..Hα-helixtrans-58.8-51.7176.2173.7-103.4000110.9P9 L12 M13 M16 F29 R30 Q31 E35 Q36 I37 L56 A57 A60P9-F33 HydrophobicContact CB-CE2 4.47Å; P9-F33 HydrophobicContact CB-CZ 4.07Å; P9-F33 WeakPolarHBondContact O-CE2 3.36Å; L12-F33 HydrophobicContact CD2-CD2 3.92Å; L12-F33 HydrophobicContact CD2-CE2 4.03Å; L12-F33 HydrophobicContact CG-CD2 4.24Å; L12-F33 HydrophobicContact CG-CE2 4.36Å; M13-F33 HydrophobicContact CB-CD2 4.41Å; M13-F33 HydrophobicContact CB-CE2 3.96Å; M13-F33 HydrophobicContact CE-CB 4.06Å; M13-F33 HydrophobicContact CE-CD1 3.54Å; M13-F33 HydrophobicContact CE-CD2 3.35Å; M13-F33 HydrophobicContact CE-CE1 3.7Å; M13-F33 HydrophobicContact CE-CE2 3.52Å; M13-F33 HydrophobicContact CE-CG 3.35Å; M13-F33 HydrophobicContact CE-CZ 3.68Å; M13-F33 HydrophobicContact SD-CD2 4.2Å; M13-F33 HydrophobicContact SD-CE2 4.5Å; M16-F33 HydrophobicContact CE-CB 3.82Å; M16-F33 HydrophobicContact SD-CB 3.81Å; M16-F33 HydrophobicContact SD-CD2 3.9Å; M16-F33 HydrophobicContact SD-CG 4.37Å; F29-F33 PolarHBondContact O-N 2.95Å; R30-F33 WeakPolarHBondContact O-CB 3.21Å; R30-F33 PolarHBondContact O-N 3.48Å; Q31-F33 VanDerWaalsContact C-N 3.26Å; Q31-F33 PolarHBondContact O-N 3.12Å; F33-E35 PolarHBondContact O-N 2.99Å; F33-Q36 WeakPolarHBondContact O-CB 3.41Å; F33-Q36 PolarHBondContact O-N 3.27Å; F33-I37 HydrophobicContact CD1-CG1 4.35Å; F33-I37 HydrophobicContact CE1-CD1 4.19Å; F33-I37 HydrophobicContact CE1-CG1 4.01Å; F33-I37 HydrophobicContact CE2-CD1 4Å; F33-I37 HydrophobicContact CZ-CD1 3.79Å; F33-I37 HydrophobicContact CZ-CG1 4.15Å; F33-I37 WeakPolarHBondContact O-CG1 3.42Å; F33-I37 PolarHBondContact O-N 2.88Å; F33-L56 HydrophobicContact CD1-CD2 3.98Å; F33-L56 HydrophobicContact CE1-CD2 4.03Å; F33-L56 HydrophobicContact CE1-CG 4.12Å; F33-A57 HydrophobicContact CE2-CB 4.43Å; F33-A57 HydrophobicContact CZ-CB 4.02Å; F33-A60 HydrophobicContact CZ-CB 4.47Å
34L91.1Very high89.9Confident21 Ų2167.2 Ų67.211%0.1134%0.336CS..Hα-helixtrans-63.2-28179.6-68.1176.8000113.1R30 Q31 Q36 I37 R42 L45R30-L34 HydrophobicContact CG-CD1 4.16Å; R30-L34 HydrophobicContact CG-CG 4.44Å; R30-L34 VanDerWaalsContact O-CG 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.49Å; R30-L34 PolarHBondContact O-N 3.17Å; Q31-L34 PolarHBondContact O-N 3.27Å; Q31-L34 VanDerWaalsContact O-N 3.16Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q36 PolarHBondContact O-N 2.96Å; L34-I37 PolarHBondContact O-N 3.42Å; L34-R42 HydrophobicContact CB-CG 4.4Å; L34-R42 HydrophobicContact CD2-CG 4.31Å; L34-R42 VanDerWaalsContact O-CD 3.31Å; L34-R42 WeakPolarHBondContact O-CD 3.01Å; L34-R42 PolarHBondContact O-NH1 3.37Å; L34-L45 HydrophobicContact CD2-CD1 4.03Å
35E92Very high89.9Confident109 Ų10960 Ų6051%0.50930%0.302SS..Hα-helixtrans-68.3-27.5174.1-77176-172.600113.1Q31 I32 F33Q31-E35 PolarHBondContact NE2-OE1 3Å; Q31-E35 WeakPolarHBondContact O-CG 3.49Å; Q31-E35 PolarHBondContact O-N 3.32Å; I32-E35 PolarHBondContact O-N 2.99Å; F33-E35 PolarHBondContact O-N 2.99Å
36Q91.6Very high89.4Confident24 Ų2462.8 Ų62.811%0.11232%0.319CS..Hα-helixtrans-80.9-18.4174.7-56.8-47.1-55.100113.3D2 L12 I32 F33 L34D2-Q36 PolarHBondContact O-OE1 3.35Å; L12-Q36 HydrophobicContact CD1-CG 4.47Å; L12-Q36 HydrophobicContact CD2-CB 3.42Å; L12-Q36 VanDerWaalsContact CD2-CB 3.42Å; L12-Q36 HydrophobicContact CD2-CG 3.91Å; I32-Q36 WeakPolarHBondContact O-CG 3.41Å; I32-Q36 PolarHBondContact O-N 2.91Å; F33-Q36 WeakPolarHBondContact O-CB 3.41Å; F33-Q36 PolarHBondContact O-N 3.27Å; L34-Q36 VanDerWaalsContact C-N 3.29Å; L34-Q36 PolarHBondContact O-N 2.96Å
37I90.9Very high88.6Confident5 Ų567.4 Ų67.43%0.02634%0.34CS..SBendtrans-83.4140.4179-52.6-51.1000110.1L4 P9 L12 F33 L34 I41 L45L4-I37 HydrophobicContact CD1-CD1 3.75Å; L4-I37 HydrophobicContact CD2-CD1 4.25Å; L4-I37 HydrophobicContact CG-CD1 4.28Å; P9-I37 HydrophobicContact CB-CD1 3.99Å; P9-I37 HydrophobicContact CG-CD1 4.07Å; L12-I37 HydrophobicContact CD2-CD1 4.34Å; F33-I37 HydrophobicContact CD1-CG1 4.35Å; F33-I37 HydrophobicContact CE1-CD1 4.19Å; F33-I37 HydrophobicContact CE1-CG1 4.01Å; F33-I37 HydrophobicContact CE2-CD1 4Å; F33-I37 HydrophobicContact CZ-CD1 3.79Å; F33-I37 HydrophobicContact CZ-CG1 4.15Å; F33-I37 WeakPolarHBondContact O-CG1 3.42Å; F33-I37 PolarHBondContact O-N 2.88Å; L34-I37 PolarHBondContact O-N 3.42Å; I37-I41 HydrophobicContact CG2-CB 3.78Å; I37-I41 HydrophobicContact CG2-CG2 3.62Å; I37-L45 HydrophobicContact CG2-CD1 4.46Å
38P90.3Very high87.7Confident36 Ų3661.3 Ų61.323%0.23432%0.315CS..  trans-56.3146.5172.9-27.535.3000112.6D40 I41 R42 W64P38-D40 VanDerWaalsContact C-N 3.28Å; P38-D40 WeakPolarHBondContact CB-OD1 3.31Å; P38-D40 PolarHBondContact O-N 3.38Å; P38-I41 HydrophobicContact CG-CD1 4.34Å; P38-I41 PolarHBondContact O-N 3.25Å; P38-I41 VanDerWaalsContact O-N 3.17Å; P38-R42 WeakPolarHBondContact O-CB 3.48Å; P38-R42 PolarHBondContact O-N 2.99Å; P38-W64 VanDerWaalsContact CD-CZ3 3.5Å; P38-W64 HydrophobicContact CG-CE3 4.11Å; P38-W64 HydrophobicContact CG-CH2 4.2Å; P38-W64 HydrophobicContact CG-CZ3 3.33Å
39V90.6Very high86.7Confident86 Ų8661.1 Ų61.152%0.52132%0.322SS..Hα-helixtrans-58.2-39.6-174.564.70000112.9R42 L43V39-R42 PolarHBondContact O-N 2.82Å; V39-L43 HydrophobicContact CG2-CD1 4.45Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.31Å; V39-L43 PolarHBondContact O-N 3.47Å
40D89.4Confident85.5Confident68 Ų6862.2 Ų62.236%0.36433%0.329SS..Hα-helixtrans-63.3-41.3179.652.4-46.7000112.2P38 K67P38-D40 VanDerWaalsContact C-N 3.28Å; P38-D40 WeakPolarHBondContact CB-OD1 3.31Å; P38-D40 PolarHBondContact O-N 3.38Å; D40-K67 WeakPolarHBondContact OD2-CD 3.47Å; D40-K67 WeakPolarHBondContact OD2-CE 3.46Å
41I90.8Very high84.9Confident4 Ų468.5 Ų68.52%0.02136%0.358CS..Hα-helixtrans-74.5-40.8175.2-65.1169.3000110.3I37 P38 L43 L44 L45 L63 W64 K67I37-I41 HydrophobicContact CG2-CB 3.78Å; I37-I41 HydrophobicContact CG2-CG2 3.62Å; P38-I41 HydrophobicContact CG-CD1 4.34Å; P38-I41 PolarHBondContact O-N 3.25Å; P38-I41 VanDerWaalsContact O-N 3.17Å; I41-L43 VanDerWaalsContact C-N 3.28Å; I41-L43 PolarHBondContact O-N 3.41Å; I41-L44 WeakPolarHBondContact O-CB 3.41Å; I41-L44 PolarHBondContact O-N 2.92Å; I41-L45 HydrophobicContact CG2-CD1 4.24Å; I41-L45 PolarHBondContact O-N 3.49Å; I41-L63 HydrophobicContact CG2-CB 3.91Å; I41-L63 HydrophobicContact CG2-CD1 4.08Å; I41-W64 HydrophobicContact CD1-CB 3.97Å; I41-W64 HydrophobicContact CD1-CD2 4.07Å; I41-W64 HydrophobicContact CD1-CE3 3.34Å; I41-W64 HydrophobicContact CD1-CG 4.38Å; I41-W64 HydrophobicContact CD1-CZ3 4.16Å; I41-K67 HydrophobicContact CD1-CD 3.97Å; I41-K67 HydrophobicContact CG1-CD 4.26Å
42R91Very high84.8Confident83 Ų8367.7 Ų67.731%0.31336%0.356SS..Hα-helixtrans-59.1-38.5179.7179168.464.4-161.66.3112.7L34 P38 V39 L44 L45L34-R42 HydrophobicContact CB-CG 4.4Å; L34-R42 HydrophobicContact CD2-CG 4.31Å; L34-R42 VanDerWaalsContact O-CD 3.31Å; L34-R42 WeakPolarHBondContact O-CD 3.01Å; L34-R42 PolarHBondContact O-NH1 3.37Å; P38-R42 WeakPolarHBondContact O-CB 3.48Å; P38-R42 PolarHBondContact O-N 2.99Å; V39-R42 PolarHBondContact O-N 2.82Å; R42-L44 PolarHBondContact O-N 3.05Å; R42-L45 PolarHBondContact O-N 3.35Å
43L89.4Confident84.6Confident116 Ų11666 Ų6661%0.60735%0.349SS*.Hα-helixtrans-61.5-28.1176.1-73.7169.8000112.9V39 I41 T46V39-L43 HydrophobicContact CG2-CD1 4.45Å; V39-L43 VanDerWaalsContact O-CG 3.27Å; V39-L43 WeakPolarHBondContact O-CG 3.31Å; V39-L43 PolarHBondContact O-N 3.47Å; I41-L43 VanDerWaalsContact C-N 3.28Å; I41-L43 PolarHBondContact O-N 3.41Å; L43-T46 PolarHBondContact O-OG1 3.22Å
44L88.4Confident84.6Confident105 Ų10572.6 Ų72.655%0.5537%0.374SS..Hα-helixtrans-84.8-11.8177.4-59.1175.6000112.7I41 R42 L63I41-L44 WeakPolarHBondContact O-CB 3.41Å; I41-L44 PolarHBondContact O-N 2.92Å; R42-L44 PolarHBondContact O-N 3.05Å; L44-L63 HydrophobicContact CB-CD1 3.64Å; L44-L63 HydrophobicContact CB-CD2 4.36Å; L44-L63 HydrophobicContact CD1-CD1 4.35Å; L44-L63 HydrophobicContact CD1-CD2 3.86Å
45L87.5Confident84.6Confident2 Ų276.3 Ų76.31%0.0139%0.391CS..Hα-helixtrans-92.6-10.2178.7-65.6174.3000113.6L34 I37 I41 R42 D47 I48 L56 H59 A60 L63L34-L45 HydrophobicContact CD2-CD1 4.03Å; I37-L45 HydrophobicContact CG2-CD1 4.46Å; I41-L45 HydrophobicContact CG2-CD1 4.24Å; I41-L45 PolarHBondContact O-N 3.49Å; R42-L45 PolarHBondContact O-N 3.35Å; L45-D47 VanDerWaalsContact C-N 3.32Å; L45-D47 PolarHBondContact O-N 3.5Å; L45-I48 PolarHBondContact O-N 3.28Å; L45-L56 HydrophobicContact CB-CD1 4.37Å; L45-L56 HydrophobicContact CD2-CD1 4.14Å; L45-H59 HydrophobicContact CD2-CB 4.49Å; L45-H59 WeakPolarHBondContact CD2-ND1 3.38Å; L45-A60 HydrophobicContact CD1-CB 3.81Å; L45-A60 HydrophobicContact CD2-CB 4.19Å; L45-L63 HydrophobicContact CD2-CD1 3.83Å; L45-L63 HydrophobicContact CG-CD1 4.17Å
46T76Confident84.6Confident105 Ų10571.3 Ų71.364%0.64437%0.367SS*.THydrogen-bonded Turntrans-68.9-27.7-174.247.40000114L43 I48L43-T46 PolarHBondContact O-OG1 3.22Å; T46-I48 VanDerWaalsContact C-N 3.26Å; T46-I48 PolarHBondContact O-N 3.42Å
47D71.3Confident84.7Confident152 Ų15270.2 Ų70.281%0.81336%0.362SS*.THydrogen-bonded Turntrans-75.1-17.8-177.6-165.336.6000112.7L45 S49L45-D47 VanDerWaalsContact C-N 3.32Å; L45-D47 PolarHBondContact O-N 3.5Å; D47-S49 PolarHBondContact O-N 3.01Å
48I68.5Low84.8Confident42 Ų4275.1 Ų75.122%0.21539%0.388CS..  trans-99107-168.6-29.9179.6000110.1R30 L45 T46 L50 H59R30-I48 PolarHBondContact NH2-O 3.43Å; L45-I48 PolarHBondContact O-N 3.28Å; T46-I48 VanDerWaalsContact C-N 3.26Å; T46-I48 PolarHBondContact O-N 3.42Å; I48-L50 HydrophobicContact CB-CD1 4.26Å; I48-L50 HydrophobicContact CB-CG 4.06Å; I48-L50 HydrophobicContact CG2-CD1 3.76Å; I48-L50 HydrophobicContact CG2-CD2 3.63Å; I48-L50 HydrophobicContact CG2-CG 3.37Å; I48-L50 PolarHBondContact O-N 3.33Å; I48-H59 WeakPolarHBondContact CD1-CE1 3.41Å; I48-H59 VanDerWaalsContact CD1-ND1 3.27Å; I48-H59 WeakPolarHBondContact CD1-ND1 3.39Å
49S67.8Low84.9Confident106 Ų10676.9 Ų76.974%0.74139%0.393SS*.  trans-7864.1168.5179.60000110.5D47 K51D47-S49 PolarHBondContact O-N 3.01Å; S49-K51 PolarHBondContact O-N 3.26Å
50L65.7Low85Confident39 Ų3972.8 Ų72.820%0.20437%0.368CS..  trans-77.6111.5171.9-61.6172.6000108.5I48 Q55 L56I48-L50 HydrophobicContact CB-CD1 4.26Å; I48-L50 HydrophobicContact CB-CG 4.06Å; I48-L50 HydrophobicContact CG2-CD1 3.76Å; I48-L50 HydrophobicContact CG2-CD2 3.63Å; I48-L50 HydrophobicContact CG2-CG 3.37Å; I48-L50 PolarHBondContact O-N 3.33Å; L50-Q55 HydrophobicContact CD1-CB 4.08Å; L50-Q55 HydrophobicContact CD2-CB 4.32Å; L50-L56 HydrophobicContact CB-CB 4.3Å; L50-L56 VanDerWaalsContact CD1-CA 3.48Å; L50-L56 HydrophobicContact CD1-CB 4.12Å; L50-L56 HydrophobicContact CD1-CD1 4.34Å
51K77.5Confident85.2Confident205 Ų20570.6 Ų70.689%0.89136%0.356SS*.SBendtrans-64.2-34.8170.5-77.8-177.5173.7-179.40111.2S49S49-K51 PolarHBondContact O-N 3.26Å
52D86.9Confident85.3Confident58 Ų5873.1 Ų73.131%0.3138%0.377SS..SBendtrans-87.4116.5-179.5-178.22.1000110.5R54 Q55 L56D52-R54 PolarHBondContact O-N 3.16Å; D52-R54 WeakPolarHBondContact OD1-CB 3.44Å; D52-R54 PolarHBondContact OD1-N 2.97Å; D52-Q55 HydrophobicContact CB-CB 4.26Å; D52-Q55 HydrophobicContact CB-CG 4.05Å; D52-Q55 PolarHBondContact O-N 2.87Å; D52-Q55 WeakPolarHBondContact OD2-CG 3.45Å; D52-Q55 PolarHBondContact OD2-NE2 3.42Å; D52-L56 PolarHBondContact O-N 2.86Å
53P88.8Confident85.4Confident20 Ų2071 Ų7113%0.1337%0.372CS..Hα-helixtrans-62.8-27.6178.129.6-39.3000112.7M13 L17 P25 F29 L56 A57M13-P53 HydrophobicContact CE-CB 3.91Å; M13-P53 WeakPolarHBondContact CE-O 3.26Å; M13-P53 HydrophobicContact CG-CB 4.5Å; M13-P53 HydrophobicContact SD-CB 3.74Å; L17-P53 HydrophobicContact CD2-CG 4.01Å; P25-P53 HydrophobicContact CB-CB 4.46Å; P25-P53 HydrophobicContact CB-CG 4.01Å; P25-P53 HydrophobicContact CG-CG 3.63Å; F29-P53 HydrophobicContact CE1-CB 4.16Å; P53-L56 WeakPolarHBondContact O-CB 3.29Å; P53-L56 PolarHBondContact O-N 3.27Å; P53-A57 PolarHBondContact O-N 2.88Å
54R91.1Very high85.5Confident138 Ų13867.2 Ų67.252%0.52135%0.349SS..Hα-helixtrans-67.6-41.1178.7-64.8-178.3-176.6-94.60.6111.1L17 D52 L56 A57 I58L17-R54 HydrophobicContact CD1-CG 3.75Å; D52-R54 PolarHBondContact O-N 3.16Å; D52-R54 WeakPolarHBondContact OD1-CB 3.44Å; D52-R54 PolarHBondContact OD1-N 2.97Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 3.35Å; R54-A57 PolarHBondContact O-N 3.35Å; R54-I58 WeakPolarHBondContact O-CG1 3.41Å; R54-I58 PolarHBondContact O-N 3.42Å
55Q91.3Very high85.7Confident100 Ų10067 Ų6747%0.46735%0.346SS..Hα-helixtrans-64.1-38.8175.1-68.9176.235.600111.5L50 D52 A57 I58 H59L50-Q55 HydrophobicContact CD1-CB 4.08Å; L50-Q55 HydrophobicContact CD2-CB 4.32Å; D52-Q55 HydrophobicContact CB-CB 4.26Å; D52-Q55 HydrophobicContact CB-CG 4.05Å; D52-Q55 PolarHBondContact O-N 2.87Å; D52-Q55 WeakPolarHBondContact OD2-CG 3.45Å; D52-Q55 PolarHBondContact OD2-NE2 3.42Å; Q55-A57 VanDerWaalsContact C-N 3.28Å; Q55-A57 PolarHBondContact O-N 3.32Å; Q55-I58 PolarHBondContact O-N 2.71Å; Q55-H59 PolarHBondContact O-N 2.97Å
56L91.4Very high85.8Confident3 Ų369 Ų692%0.01636%0.363CS..Hα-helixtrans-58.9-42.7175-179.868.8000111.5R30 F33 L45 L50 D52 P53 R54 H59 A60R30-L56 HydrophobicContact CG-CD2 4.12Å; F33-L56 HydrophobicContact CD1-CD2 3.98Å; F33-L56 HydrophobicContact CE1-CD2 4.03Å; F33-L56 HydrophobicContact CE1-CG 4.12Å; L45-L56 HydrophobicContact CB-CD1 4.37Å; L45-L56 HydrophobicContact CD2-CD1 4.14Å; L50-L56 HydrophobicContact CB-CB 4.3Å; L50-L56 VanDerWaalsContact CD1-CA 3.48Å; L50-L56 HydrophobicContact CD1-CB 4.12Å; L50-L56 HydrophobicContact CD1-CD1 4.34Å; D52-L56 PolarHBondContact O-N 2.86Å; P53-L56 WeakPolarHBondContact O-CB 3.29Å; P53-L56 PolarHBondContact O-N 3.27Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 3.35Å; L56-H59 PolarHBondContact O-N 3.02Å; L56-A60 WeakPolarHBondContact O-CB 3.39Å; L56-A60 PolarHBondContact O-N 3.46Å
57A93.5Very high86.3Confident1 Ų167.4 Ų67.41%0.00835%0.347CS..Hα-helixtrans-70.1-40.218000000112.9M13 F33 P53 R54 Q55 H59 A60 D61M13-A57 HydrophobicContact CB-CB 3.39Å; M13-A57 HydrophobicContact CE-CB 4.19Å; M13-A57 HydrophobicContact CG-CB 3.69Å; F33-A57 HydrophobicContact CE2-CB 4.43Å; F33-A57 HydrophobicContact CZ-CB 4.02Å; P53-A57 PolarHBondContact O-N 2.88Å; R54-A57 PolarHBondContact O-N 3.35Å; Q55-A57 VanDerWaalsContact C-N 3.28Å; Q55-A57 PolarHBondContact O-N 3.32Å; A57-H59 VanDerWaalsContact C-N 3.29Å; A57-H59 PolarHBondContact O-N 3.07Å; A57-A60 WeakPolarHBondContact O-CB 3.43Å; A57-A60 PolarHBondContact O-N 3.3Å; A57-D61 PolarHBondContact O-N 3.02Å
58I93.7Very high86.9Confident109 Ų10965 Ų6556%0.55933%0.331SS*.Hα-helixtrans-60.9-41.2174.5-68165000110.9R54 Q55 D61 A62R54-I58 WeakPolarHBondContact O-CG1 3.41Å; R54-I58 PolarHBondContact O-N 3.42Å; Q55-I58 PolarHBondContact O-N 2.71Å; I58-D61 WeakPolarHBondContact O-CB 3.47Å; I58-D61 PolarHBondContact O-N 3.39Å; I58-A62 PolarHBondContact O-N 3.34Å
59H91.8Very high87.7Confident73 Ų7368.9 Ų68.934%0.33835%0.348SS..Hα-helixtrans-67.7-40.1176.6-168.1-91.6000111.9L45 I48 Q55 L56 A57 D61 A62 L63L45-H59 HydrophobicContact CD2-CB 4.49Å; L45-H59 WeakPolarHBondContact CD2-ND1 3.38Å; I48-H59 WeakPolarHBondContact CD1-CE1 3.41Å; I48-H59 VanDerWaalsContact CD1-ND1 3.27Å; I48-H59 WeakPolarHBondContact CD1-ND1 3.39Å; Q55-H59 PolarHBondContact O-N 2.97Å; L56-H59 PolarHBondContact O-N 3.02Å; A57-H59 VanDerWaalsContact C-N 3.29Å; A57-H59 PolarHBondContact O-N 3.07Å; H59-D61 VanDerWaalsContact C-N 3.3Å; H59-D61 PolarHBondContact O-N 2.89Å; H59-A62 PolarHBondContact O-N 3.45Å; H59-L63 PolarHBondContact O-N 3.38Å
60A93.2Very high88.3Confident0 Ų069.6 Ų69.60%034%0.344CS..Hα-helixtrans-61.8-37.5173.700000112.1P9 F33 L45 L56 A57 A62 L63 W64P9-A60 HydrophobicContact CB-CB 3.59Å; P9-A60 HydrophobicContact CG-CB 3.97Å; F33-A60 HydrophobicContact CZ-CB 4.47Å; L45-A60 HydrophobicContact CD1-CB 3.81Å; L45-A60 HydrophobicContact CD2-CB 4.19Å; L56-A60 WeakPolarHBondContact O-CB 3.39Å; L56-A60 PolarHBondContact O-N 3.46Å; A57-A60 WeakPolarHBondContact O-CB 3.43Å; A57-A60 PolarHBondContact O-N 3.3Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-A62 PolarHBondContact O-N 3.19Å; A60-L63 PolarHBondContact O-N 2.88Å; A60-W64 WeakPolarHBondContact O-CB 3.45Å; A60-W64 PolarHBondContact O-N 3.41Å
61D94.5Very high88.7Confident22 Ų2272.5 Ų72.512%0.11836%0.359CS..Hα-helixtrans-60.4-43173.7-85.55.1000111.8T8 P9 S10 A57 I58 H59 L63 W64 Q65T8-D61 WeakPolarHBondContact CB-OD1 3.43Å; P9-D61 WeakPolarHBondContact CA-OD1 3.45Å; P9-D61 VanDerWaalsContact CB-OD1 3.26Å; P9-D61 WeakPolarHBondContact CB-OD1 3.46Å; P9-D61 WeakPolarHBondContact CD-OD1 3.27Å; P9-D61 WeakPolarHBondContact CG-OD1 3.23Å; S10-D61 WeakPolarHBondContact CB-OD2 3.48Å; S10-D61 PolarHBondContact N-OD1 3.37Å; S10-D61 PolarHBondContact OG-OD2 2.85Å; A57-D61 PolarHBondContact O-N 3.02Å; I58-D61 WeakPolarHBondContact O-CB 3.47Å; I58-D61 PolarHBondContact O-N 3.39Å; H59-D61 VanDerWaalsContact C-N 3.3Å; H59-D61 PolarHBondContact O-N 2.89Å; D61-L63 PolarHBondContact O-N 3.49Å; D61-W64 PolarHBondContact O-N 3.19Å; D61-Q65 WeakPolarHBondContact O-CB 3.5Å; D61-Q65 VanDerWaalsContact O-CG 3.29Å; D61-Q65 WeakPolarHBondContact O-CG 3.49Å; D61-Q65 PolarHBondContact O-N 3.22Å
62A93.2Very high88.5Confident56 Ų5666.8 Ų66.846%0.46335%0.349SS..Hα-helixtrans-61.3-45.2178.800000111.5I58 H59 A60 Q65 A66I58-A62 PolarHBondContact O-N 3.34Å; H59-A62 PolarHBondContact O-N 3.45Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-A62 PolarHBondContact O-N 3.19Å; A62-Q65 PolarHBondContact O-N 3.19Å; A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 3.44Å
63L92.4Very high87.6Confident38 Ų3868.6 Ų68.620%0.19936%0.363CS..Hα-helixtrans-64.9-40.5175.8-65.6174.4000112I41 L44 L45 H59 A60 D61 A66 K67I41-L63 HydrophobicContact CG2-CB 3.91Å; I41-L63 HydrophobicContact CG2-CD1 4.08Å; L44-L63 HydrophobicContact CB-CD1 3.64Å; L44-L63 HydrophobicContact CB-CD2 4.36Å; L44-L63 HydrophobicContact CD1-CD1 4.35Å; L44-L63 HydrophobicContact CD1-CD2 3.86Å; L45-L63 HydrophobicContact CD2-CD1 3.83Å; L45-L63 HydrophobicContact CG-CD1 4.17Å; H59-L63 PolarHBondContact O-N 3.38Å; A60-L63 PolarHBondContact O-N 2.88Å; D61-L63 PolarHBondContact O-N 3.49Å; L63-A66 PolarHBondContact O-N 3.33Å; L63-K67 WeakPolarHBondContact O-CB 3.04Å; L63-K67 PolarHBondContact O-N 3.05Å
64W91.9Very high86.1Confident37 Ų3773 Ų7314%0.1438%0.384CS..Hα-helixtrans-63.7-45.6177.7-179.4-86.6000112L4 P9 P38 I41 A60 D61 K67 Q68L4-W64 HydrophobicContact CB-CH2 4.24Å; L4-W64 HydrophobicContact CB-CZ3 4.46Å; L4-W64 HydrophobicContact CD1-CE3 3.72Å; L4-W64 HydrophobicContact CD1-CH2 3.89Å; L4-W64 HydrophobicContact CD1-CZ3 3.29Å; P9-W64 HydrophobicContact CG-CB 4.17Å; P9-W64 HydrophobicContact CG-CG 4.37Å; P38-W64 VanDerWaalsContact CD-CZ3 3.5Å; P38-W64 HydrophobicContact CG-CE3 4.11Å; P38-W64 HydrophobicContact CG-CH2 4.2Å; P38-W64 HydrophobicContact CG-CZ3 3.33Å; I41-W64 HydrophobicContact CD1-CB 3.97Å; I41-W64 HydrophobicContact CD1-CD2 4.07Å; I41-W64 HydrophobicContact CD1-CE3 3.34Å; I41-W64 HydrophobicContact CD1-CG 4.38Å; I41-W64 HydrophobicContact CD1-CZ3 4.16Å; A60-W64 WeakPolarHBondContact O-CB 3.45Å; A60-W64 PolarHBondContact O-N 3.41Å; D61-W64 PolarHBondContact O-N 3.19Å; W64-K67 PolarHBondContact O-N 3.47Å; W64-Q68 WeakPolarHBondContact O-CG 3.44Å; W64-Q68 PolarHBondContact O-N 3.45Å
65Q91.3Very high84.6Confident101 Ų10172.4 Ų72.447%0.47239%0.391SS..Hα-helixtrans-64.3-43.6176.4-72.8176.319.500111.7D61 A62 K67 Q68 Q69D61-Q65 WeakPolarHBondContact O-CB 3.5Å; D61-Q65 VanDerWaalsContact O-CG 3.29Å; D61-Q65 WeakPolarHBondContact O-CG 3.49Å; D61-Q65 PolarHBondContact O-N 3.22Å; A62-Q65 PolarHBondContact O-N 3.19Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 3.24Å; Q65-Q68 PolarHBondContact O-N 2.97Å; Q65-Q68 VanDerWaalsContact O-N 3.16Å; Q65-Q69 WeakPolarHBondContact O-CG 3.49Å; Q65-Q69 PolarHBondContact O-N 3.16Å
66A89.4Confident83.1Confident45 Ų4572.5 Ų72.537%0.37240%0.4SS..Hα-helixtrans-58.1-45.117600000111.4A62 L63 Q68 Q69 D70A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 3.44Å; L63-A66 PolarHBondContact O-N 3.33Å; A66-Q68 PolarHBondContact O-N 3.45Å; A66-Q69 PolarHBondContact O-N 3.1Å; A66-D70 PolarHBondContact O-N 3.3Å
67K86.4Confident81.5Confident70 Ų7078.4 Ų78.430%0.30444%0.436SS..Hα-helixtrans-60.1-43174.7177.9-179-178.9-77.10112.6D40 I41 L63 W64 Q65 Q69 D70 L71D40-K67 WeakPolarHBondContact OD2-CD 3.47Å; D40-K67 WeakPolarHBondContact OD2-CE 3.46Å; I41-K67 HydrophobicContact CD1-CD 3.97Å; I41-K67 HydrophobicContact CG1-CD 4.26Å; L63-K67 WeakPolarHBondContact O-CB 3.04Å; L63-K67 PolarHBondContact O-N 3.05Å; W64-K67 PolarHBondContact O-N 3.47Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 3.24Å; K67-Q69 VanDerWaalsContact C-N 3.33Å; K67-D70 PolarHBondContact O-N 3.11Å; K67-L71 HydrophobicContact CG-CD1 4.45Å; K67-L71 WeakPolarHBondContact O-CG 3.24Å; K67-L71 PolarHBondContact O-N 3.27Å; K67-L71 VanDerWaalsContact O-N 3.12Å
68Q85.2Confident79.6Confident103 Ų10387.2 Ų87.248%0.48147%0.469SS..Hα-helixtrans-64.6-38.7177.4-72.8-172.3-8.500111.9W64 Q65 A66 L71 A72W64-Q68 WeakPolarHBondContact O-CG 3.44Å; W64-Q68 PolarHBondContact O-N 3.45Å; Q65-Q68 PolarHBondContact O-N 2.97Å; Q65-Q68 VanDerWaalsContact O-N 3.16Å; A66-Q68 PolarHBondContact O-N 3.45Å; Q68-L71 PolarHBondContact O-N 3.46Å; Q68-A72 WeakPolarHBondContact O-CB 3.41Å; Q68-A72 PolarHBondContact O-N 3.02Å
69Q84Confident77.9Confident122 Ų12287.9 Ų87.957%0.5748%0.479SS*.Hα-helixtrans-65.4-40.9176.1-71.9175.12.300111.9Q65 A66 K67 L71 A72 T73Q65-Q69 WeakPolarHBondContact O-CG 3.49Å; Q65-Q69 PolarHBondContact O-N 3.16Å; A66-Q69 PolarHBondContact O-N 3.1Å; K67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-L71 VanDerWaalsContact C-N 3.32Å; Q69-L71 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 2.96Å; Q69-T73 WeakPolarHBondContact O-CB 3.34Å; Q69-T73 PolarHBondContact O-N 3.42Å; Q69-T73 PolarHBondContact O-OG1 3.46Å
70D80.4Confident75.8Confident122 Ų12289.4 Ų89.465%0.65249%0.486SS*.Hα-helixtrans-61-41.7175-82.7-10.6000111.6A66 K67 T73 I74A66-D70 PolarHBondContact O-N 3.3Å; K67-D70 PolarHBondContact O-N 3.11Å; D70-T73 CarbonylContact O-C 3.57Å; D70-T73 PolarHBondContact O-N 3.4Å; D70-I74 VanDerWaalsContact O-CG1 3.29Å; D70-I74 WeakPolarHBondContact O-CG1 3.31Å; D70-I74 PolarHBondContact O-N 3.17Å
71L74.7Confident73.8Confident100 Ų100100 Ų10052%0.52453%0.526SS..Hα-helixtrans-67.3-37.8176.2-67.1173.7000112.6K67 Q68 Q69 I74K67-L71 HydrophobicContact CG-CD1 4.45Å; K67-L71 WeakPolarHBondContact O-CG 3.24Å; K67-L71 PolarHBondContact O-N 3.27Å; K67-L71 VanDerWaalsContact O-N 3.12Å; Q68-L71 PolarHBondContact O-N 3.46Å; Q69-L71 VanDerWaalsContact C-N 3.32Å; Q69-L71 PolarHBondContact O-N 2.92Å; L71-I74 HydrophobicContact CD2-CD1 4.15Å; L71-I74 WeakPolarHBondContact O-CG1 3.49Å
72A73Confident71.4Confident84 Ų84107.5 Ų107.569%0.69455%0.553SS**Hα-helixtrans-73.1-31.8176.500000112.6Q68 Q69 I74Q68-A72 WeakPolarHBondContact O-CB 3.41Å; Q68-A72 PolarHBondContact O-N 3.02Å; Q69-A72 PolarHBondContact O-N 2.96Å; A72-I74 VanDerWaalsContact C-N 3.27Å; A72-I74 PolarHBondContact O-N 3.32Å
73T67.2Low69.1Low97 Ų97111.8 Ų111.860%0.59557%0.568SS**THydrogen-bonded Turntrans-90.411.4-179.7-47.20000112Q69 D70 N75Q69-T73 WeakPolarHBondContact O-CB 3.34Å; Q69-T73 PolarHBondContact O-N 3.42Å; Q69-T73 PolarHBondContact O-OG1 3.46Å; D70-T73 CarbonylContact O-C 3.57Å; D70-T73 PolarHBondContact O-N 3.4Å; T73-N75 PolarHBondContact O-N 3.42Å
74I59.2Low67Low111 Ų111114.7 Ų114.757%0.56958%0.583SS**  trans-65.178.7157.8-50.8176.3000106.2D70 L71 A72 P76D70-I74 VanDerWaalsContact O-CG1 3.29Å; D70-I74 WeakPolarHBondContact O-CG1 3.31Å; D70-I74 PolarHBondContact O-N 3.17Å; L71-I74 HydrophobicContact CD2-CD1 4.15Å; L71-I74 WeakPolarHBondContact O-CG1 3.49Å; A72-I74 VanDerWaalsContact C-N 3.27Å; A72-I74 PolarHBondContact O-N 3.32Å; I74-P76 WeakPolarHBondContact O-CD 3.44Å
75N59.1Low64.8Low127 Ų127118.2 Ų118.268%0.67961%0.613SS**  trans-41.9119.5141.7-91.8-56.6000103.1T73 V77T73-N75 PolarHBondContact O-N 3.42Å; N75-V77 VanDerWaalsContact C-N 3.29Å; N75-V77 PolarHBondContact O-N 3.02Å
76P59.8Low62.7Low101 Ų101116.5 Ų116.566%0.65662%0.616SS**  trans-50.4116.7164.922.6-30000102.5I74 R78I74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-R78 PolarHBondContact O-N 3.31Å
77V58.1Low60.5Low127 Ų127118.7 Ų118.777%0.7763%0.627SS**  trans-56.298.4158.9168.8000099.8N75 T79N75-V77 VanDerWaalsContact C-N 3.29Å; N75-V77 PolarHBondContact O-N 3.02Å; V77-T79 PolarHBondContact O-N 3.47Å
78R53.6Low58.7Low186 Ų186125 Ų12570%0.70266%0.657SS**  trans-62.597170.9-149.4-176.3179.8-154.57.797.6P76 Q80P76-R78 PolarHBondContact O-N 3.31Å; R78-Q80 HydrophobicContact CB-CB 4.42Å; R78-Q80 HydrophobicContact CG-CB 4.28Å; R78-Q80 HydrophobicContact CG-CG 4.31Å; R78-Q80 VanDerWaalsContact NH1-CD 3.34Å; R78-Q80 PolarHBondContact O-N 3.08Å
79T57.1Low56.9Low123 Ų123130 Ų13076%0.75567%0.671SS**  trans-56.864.3131.442.30000105.3V77 R81V77-T79 PolarHBondContact O-N 3.47Å; T79-R81 PolarHBondContact O-N 3.11Å
80Q48Very low55.1Low106 Ų106129 Ų12950%0.49568%0.678SS.*  -44.185.6119.6-113176-74.700103.1R78 R82R78-Q80 HydrophobicContact CB-CB 4.42Å; R78-Q80 HydrophobicContact CG-CB 4.28Å; R78-Q80 HydrophobicContact CG-CG 4.31Å; R78-Q80 VanDerWaalsContact NH1-CD 3.34Å; R78-Q80 PolarHBondContact O-N 3.08Å; Q80-R82 HydrophobicContact CB-CG 4.15Å; Q80-R82 PolarHBondContact O-N 3.39Å
81R50.7Low53.8Low222 Ų222131 Ų13184%0.83869%0.688SS**  -34.184.9112.2-74.8-170.4177.1-1680.6104.1T79 N83T79-R81 PolarHBondContact O-N 3.11Å; R81-N83 PolarHBondContact O-N 3.02Å
82R44.2Very low52.6Low179 Ų179134.8 Ų134.868%0.67570%0.7SS**  trans-59.597160.4-74.9-170.6-160.6169.6699.8Q80 I84Q80-R82 HydrophobicContact CB-CG 4.15Å; Q80-R82 PolarHBondContact O-N 3.39Å; R82-I84 HydrophobicContact CB-CB 4.22Å; R82-I84 HydrophobicContact CB-CD1 3.61Å; R82-I84 HydrophobicContact CB-CG1 3.69Å; R82-I84 HydrophobicContact CG-CD1 4.06Å; R82-I84 HydrophobicContact CG-CG1 4.32Å; R82-I84 PolarHBondContact O-N 2.92Å
83N46Very low51.5Low147 Ų147135.8 Ų135.879%0.78670%0.698SS**  trans-60.254.7136.3-66.6-4.6000106.1R81 S85R81-N83 PolarHBondContact O-N 3.02Å; N83-S85 PolarHBondContact O-N 2.85Å; N83-S85 VanDerWaalsContact O-N 3.12Å
84I48.3Very low50.8Low98 Ų98136.6 Ų136.650%0.50370%0.698SS.*  -53.8111129.2-66.2151.500098.9R82 A86R82-I84 HydrophobicContact CB-CB 4.22Å; R82-I84 HydrophobicContact CB-CD1 3.61Å; R82-I84 HydrophobicContact CB-CG1 3.69Å; R82-I84 HydrophobicContact CG-CD1 4.06Å; R82-I84 HydrophobicContact CG-CG1 4.32Å; R82-I84 PolarHBondContact O-N 2.92Å; I84-A86 HydrophobicContact CG2-CB 4.04Å; I84-A86 PolarHBondContact O-N 3.36Å
85S45.4Very low50.7Low112 Ų112138.1 Ų138.178%0.78371%0.707SS**  trans-53.174.1150.9-54.60000105.2N83 P87N83-S85 PolarHBondContact O-N 2.85Å; N83-S85 VanDerWaalsContact O-N 3.12Å; S85-P87 WeakPolarHBondContact O-CD 3.41Å; S85-P87 VanDerWaalsContact O-N 3.09Å
86A46Very low50.7Low65 Ų65137.8 Ų137.854%0.53771%0.71SS.*  trans-67.4113.9172.10000098.6I84 Q88I84-A86 HydrophobicContact CG2-CB 4.04Å; I84-A86 PolarHBondContact O-N 3.36Å; A86-Q88 PolarHBondContact O-N 3.49Å
87P44.5Very low50.9Low91 Ų91141.7 Ų141.759%0.59172%0.717SS**  trans-46130.1-176.219.3-30.6000105.1S85 R89S85-P87 WeakPolarHBondContact O-CD 3.41Å; S85-P87 VanDerWaalsContact O-N 3.09Å; P87-R89 HydrophobicContact CB-CG 4.49Å; P87-R89 PolarHBondContact O-N 3.4Å
88Q47.7Very low51.7Low202 Ų202144.6 Ų144.694%0.94471%0.714SS**  trans-6162.6172.5-71.6169.7-101.500108A86 S90A86-Q88 PolarHBondContact O-N 3.49Å; Q88-S90 PolarHBondContact O-N 2.56Å
89R47Very low52.9Low207 Ų207138.8 Ų138.878%0.78170%0.701SS**  trans-70.490.8152.9-70.4-173.5-173.5171.13.1100.8P87 L91P87-R89 HydrophobicContact CB-CG 4.49Å; P87-R89 PolarHBondContact O-N 3.4Å; R89-L91 PolarHBondContact O-N 3.34Å
90S46.5Very low53.7Low102 Ų102139.2 Ų139.271%0.71369%0.693SS**  trans-20.2108.1150.2172.30000106.5Q88 K92Q88-S90 PolarHBondContact O-N 2.56Å; S90-K92 PolarHBondContact O-N 3.14Å
91L54Low54.8Low165 Ų165142 Ų14286%0.86470%0.7SS**  trans-64.383.5168.1-75170.2000103R89 V93R89-L91 PolarHBondContact O-N 3.34Å; L91-V93 PolarHBondContact O-N 3.38Å
92K49.5Very low56Low179 Ų179136.2 Ų136.278%0.77868%0.682SS**  trans-57.594.2161.7-172.7174.5-172.2177.70101.3S90 N94S90-K92 PolarHBondContact O-N 3.14Å; K92-N94 PolarHBondContact O-N 3.41Å; K92-N94 PolarHBondContact O-OD1 2.88Å
93V50.6Low57.1Low105 Ų105135.1 Ų135.164%0.63669%0.685SS**  trans-54.492168.1161.90000103.5L91 N95L91-V93 PolarHBondContact O-N 3.38Å; V93-N95 HydrophobicContact CG1-CB 4.46Å; V93-N95 WeakPolarHBondContact CG1-OD1 3.43Å; V93-N95 PolarHBondContact O-N 3Å
94N51.8Low58.7Low114 Ų114134 Ų13461%0.6167%0.673SS**  trans-73.983.5169.939.7-12000103.5K92 T96 K97K92-N94 PolarHBondContact O-N 3.41Å; K92-N94 PolarHBondContact O-OD1 2.88Å; N94-T96 PolarHBondContact O-N 3.37Å; N94-K97 PolarHBondContact O-N 3.23Å
95N56.6Low60Low142 Ų142137.5 Ų137.576%0.75968%0.68SS**THydrogen-bonded Turntrans-55.58.9176.2-100.8-15000114.2V93V93-N95 HydrophobicContact CG1-CB 4.46Å; V93-N95 WeakPolarHBondContact CG1-OD1 3.43Å; V93-N95 PolarHBondContact O-N 3Å
96T59.7Low61Low121 Ų121135.2 Ų135.274%0.74266%0.663SS**THydrogen-bonded Turntrans-106.5-4.2-176.342.20000114.2N94N94-T96 PolarHBondContact O-N 3.37Å
97K63.2Low61.4Low182 Ų182137.6 Ų137.679%0.79167%0.673SS**  trans-134100.4174.3-66.9-170.5-179.4-179.40111.9N94N94-K97 PolarHBondContact O-N 3.23Å
98W76.4Confident61.7Low189 Ų189142.7 Ų142.772%0.71668%0.681SS**  trans-60.8140.4167.8-6777.8000109.8H102W98-H102 HydrophobicContact CE3-CB 3.79Å; W98-H102 HydrophobicContact CZ3-CB 4.38Å
99C77.3Confident61.9Low63 Ų63139.3 Ų139.343%0.42667%0.669SS.*  trans-72.9154.1174.481.30000110.5Y101 H102 Q103C99-Y101 PolarHBondContact O-N 3.47Å; C99-Y101 VanDerWaalsContact O-N 3.08Å; C99-H102 PolarHBondContact O-N 3.29Å; C99-H102 PolarHBondContact SG-ND1 3.06Å; C99-Q103 PolarHBondContact O-N 3.31Å; C99-Q103 VanDerWaalsContact O-N 3.08Å
100F73.6Confident62.1Low132 Ų132136.2 Ų136.258%0.57966%0.663SS**Hα-helixtrans-48.2-40.3-174.4177.9-98000114K104F100-K104 HydrophobicContact CE1-CD 4.16Å; F100-K104 HydrophobicContact CZ-CD 4.1Å; F100-K104 WeakPolarHBondContact O-CB 3.12Å; F100-K104 PolarHBondContact O-N 3.28Å; F100-K104 VanDerWaalsContact O-N 3.11Å
101Y71.2Confident62.3Low166 Ų166136.7 Ų136.765%0.65166%0.661SS**Hα-helixtrans-72.4-41.4-179-71.6-82.8000113.2C99 Q103 K104 W105C99-Y101 PolarHBondContact O-N 3.47Å; C99-Y101 VanDerWaalsContact O-N 3.08Å; Y101-Q103 VanDerWaalsContact C-N 3.31Å; Y101-Q103 PolarHBondContact O-N 3.27Å; Y101-K104 PolarHBondContact O-N 3.02Å; Y101-W105 PolarHBondContact O-N 2.94Å
102H76Confident62Low100 Ų100131.6 Ų131.646%0.46364%0.643SS.*Hα-helixtrans-66.4-35.6176.3-67.1127000111.4W98 C99 C106W98-H102 HydrophobicContact CE3-CB 3.79Å; W98-H102 HydrophobicContact CZ3-CB 4.38Å; C99-H102 PolarHBondContact O-N 3.29Å; C99-H102 PolarHBondContact SG-ND1 3.06Å; H102-C106 WeakPolarHBondContact O-CB 3.45Å; H102-C106 PolarHBondContact O-N 3.41Å
103Q68.6Low62Low155 Ų155127.6 Ų127.672%0.72464%0.644SS**Hα-helixtrans-67.6-36175.3-172.6176.84.900112.6C99 Y101C99-Q103 PolarHBondContact O-N 3.31Å; C99-Q103 VanDerWaalsContact O-N 3.08Å; Y101-Q103 VanDerWaalsContact C-N 3.31Å; Y101-Q103 PolarHBondContact O-N 3.27Å
104K78.3Confident61.9Low124 Ų124130.1 Ų130.154%0.53965%0.648SS.*Hα-helixtrans-86.4-33.5-173.1-169.5173.4-178-177.50114.1F100 Y101F100-K104 HydrophobicContact CE1-CD 4.16Å; F100-K104 HydrophobicContact CZ-CD 4.1Å; F100-K104 WeakPolarHBondContact O-CB 3.12Å; F100-K104 PolarHBondContact O-N 3.28Å; F100-K104 VanDerWaalsContact O-N 3.11Å; Y101-K104 PolarHBondContact O-N 3.02Å
105W75.8Confident61.8Low171 Ų171131.4 Ų131.465%0.64866%0.655SS**Hα-helixtrans-127.90.9-166.3-53.4106.1000115.5Y101 P107Y101-W105 PolarHBondContact O-N 2.94Å; W105-P107 VanDerWaalsContact C-CD 3.5Å; W105-P107 WeakPolarHBondContact O-CD 3.33Å
106C66.8Low61.2Low64 Ų64128.8 Ų128.843%0.43265%0.652SS.*  trans-102.792.5172.3-74.20000110.1H102 R108H102-C106 WeakPolarHBondContact O-CB 3.45Å; H102-C106 PolarHBondContact O-N 3.41Å; C106-R108 PolarHBondContact O-N 2.97Å
107P53.6Low60.4Low116 Ų116128.3 Ų128.375%0.75365%0.654SS**  trans-58.6113.3163.22.24.1000108.3W105 L109W105-P107 VanDerWaalsContact C-CD 3.5Å; W105-P107 WeakPolarHBondContact O-CD 3.33Å; P107-L109 PolarHBondContact O-N 3.3Å; P107-L109 VanDerWaalsContact O-N 3.16Å
108R51.9Low59.4Low197 Ų197129.4 Ų129.474%0.74367%0.667SS**  trans8.488.4169.1-71.7175-167.3-129.77.8115.2C106 E110C106-R108 PolarHBondContact O-N 2.97Å; R108-E110 HydrophobicContact CB-CG 4.25Å; R108-E110 WeakPolarHBondContact CD-OE1 3.48Å; R108-E110 HydrophobicContact CG-CG 4.45Å; R108-E110 IonicContact CZ-OE1 3.71Å; R108-E110 IonicContact NE-OE1 3.93Å; R108-E110 IonicContact NH1-OE1 2.79Å; R108-E110 PolarHBondContact NH1-OE1 2.83Å; R108-E110 PolarHBondContact O-N 3.25Å
109L52Low58.5Low132 Ų132126.5 Ų126.569%0.69166%0.664SS**  trans-78.565.9152.7-67.6174.2000108.2P107 T111 A112P107-L109 PolarHBondContact O-N 3.3Å; P107-L109 VanDerWaalsContact O-N 3.16Å; L109-T111 PolarHBondContact O-N 3.2Å; L109-A112 HydrophobicContact CB-CB 4.24Å
110E50.4Low57.5Low142 Ų142129.8 Ų129.866%0.66468%0.677SS**THydrogen-bonded Turntrans-65.1-0175.8-93.6172-172.800112.9R108R108-E110 HydrophobicContact CB-CG 4.25Å; R108-E110 WeakPolarHBondContact CD-OE1 3.48Å; R108-E110 HydrophobicContact CG-CG 4.45Å; R108-E110 IonicContact CZ-OE1 3.71Å; R108-E110 IonicContact NE-OE1 3.93Å; R108-E110 IonicContact NH1-OE1 2.79Å; R108-E110 PolarHBondContact NH1-OE1 2.83Å; R108-E110 PolarHBondContact O-N 3.25Å
111T51.2Low56.6Low111 Ų111129.7 Ų129.768%0.68168%0.682SS**THydrogen-bonded Turntrans-124.43.4-176.951.60000115.8L109L109-T111 PolarHBondContact O-N 3.2Å
112A46.7Very low55.8Low58 Ų58127.5 Ų127.548%0.47968%0.684SS.*G310 helixtrans-80.3-17.4-179.600000114.4L109 H114L109-A112 HydrophobicContact CB-CB 4.24Å; A112-H114 PolarHBondContact O-N 3.1Å
113A50.4Low54.5Low96 Ų96129.3 Ų129.379%0.79370%0.698SS**G310 helixtrans-71.9-17.2177.800000113.3
114H48.7Very low53.6Low157 Ų157127.5 Ų127.573%0.72770%0.696SS**G310 helixtrans-91.4-6.9-176.9-137-63.4000114.5A112A112-H114 PolarHBondContact O-N 3.1Å
115L48.6Very low51.8Low142 Ų142127.8 Ų127.874%0.74371%0.707SS**SBendtrans-103.11.7-179.9-74.9172.6000114.3
116A44.4Very low49.9Very low86 Ų86124.5 Ų124.571%0.71171%0.712SS**SBendtrans-98.920.8173.900000113.3
117S43.1Very low48.5Very low111 Ų111129.5 Ų129.578%0.77674%0.735SS**  trans-140.825.1176.2-69.70000114.5
118I41.4Very low48.1Very low206 Ų206130.7 Ų130.7100%1.05673%0.733SS**  trans-132.60161.5-55.2177.8000106.8

Retrieved 118 of 118 residues in 219.9 ms (Link to these results)