A0A077YWV2_TRITR Loading...

Ion trans 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWV2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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
1M84.5Confident92.5Very high140 Ų14065.1 Ų65.169%0.6932%0.32SS*.  0-58.90-62.2-53.3-80.700113G3 A4 A5 F91 I95M1-G3 PolarHBondContact O-N 3.43Å; M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 3.37Å; M1-A4 VanDerWaalsContact O-N 3.13Å; M1-A5 PolarHBondContact O-N 3.1Å; M1-A5 VanDerWaalsContact O-N 3.08Å; M1-F91 HydrophobicContact CE-CE1 4.04Å; M1-F91 HydrophobicContact CE-CZ 3.87Å; M1-I95 HydrophobicContact CE-CD1 3.66Å; M1-I95 HydrophobicContact CE-CG1 4.35Å; M1-I95 HydrophobicContact SD-CD1 3.65Å; M1-I95 HydrophobicContact SD-CG1 3.86Å; M1-I95 HydrophobicContact SD-CG2 4.22Å
2I89.1Confident92.6Very high141 Ų14161.1 Ų61.172%0.72330%0.301SS*.Hα-helixtrans-55.4-49-178.2-62172.8000112.1A4 A5 I6I2-A4 VanDerWaalsContact C-N 3.33Å; I2-A4 PolarHBondContact O-N 3.48Å; I2-A5 PolarHBondContact O-N 3.47Å; I2-I6 HydrophobicContact CG2-CD1 4.02Å; I2-I6 WeakPolarHBondContact O-CG1 3.45Å; I2-I6 PolarHBondContact O-N 3.39Å; I2-I6 VanDerWaalsContact O-N 3.12Å
3G89.4Confident92.8Very high7 Ų762.4 Ų62.47%0.07232%0.317CS..Hα-helixtrans-55.9-44.7176.600000113.1M1 A5 I6 F7M1-G3 PolarHBondContact O-N 3.43Å; G3-A5 VanDerWaalsContact C-N 3.35Å; G3-A5 PolarHBondContact O-N 2.89Å; G3-I6 WeakPolarHBondContact O-CB 3.39Å; G3-I6 PolarHBondContact O-N 2.98Å; G3-I6 VanDerWaalsContact O-N 3.12Å; G3-F7 WeakPolarHBondContact O-CD2 3.46Å; G3-F7 PolarHBondContact O-N 3.42Å
4A91.8Very high92.8Very high0 Ų062.9 Ų62.90%032%0.317CS..Hα-helixtrans-60-42.2177.700000112.9M1 I2 I6 F7 H8 A94 I95 A98M1-A4 WeakPolarHBondContact O-CB 3.35Å; M1-A4 PolarHBondContact O-N 3.37Å; M1-A4 VanDerWaalsContact O-N 3.13Å; I2-A4 VanDerWaalsContact C-N 3.33Å; I2-A4 PolarHBondContact O-N 3.48Å; A4-I6 VanDerWaalsContact C-N 3.3Å; A4-I6 PolarHBondContact O-N 2.98Å; A4-F7 PolarHBondContact O-N 3.44Å; A4-H8 VanDerWaalsContact O-CB 3.26Å; A4-H8 WeakPolarHBondContact O-CB 3.3Å; A4-H8 PolarHBondContact O-N 3.12Å; A4-A94 HydrophobicContact CB-CB 4.23Å; A4-A94 WeakPolarHBondContact CB-O 3.37Å; A4-I95 HydrophobicContact CB-CB 4.19Å; A4-I95 HydrophobicContact CB-CG1 3.6Å; A4-A98 HydrophobicContact CB-CB 4.11Å
5A94.2Very high92.8Very high47 Ų4759.8 Ų59.839%0.38830%0.301SS..Hα-helixtrans-63.4-36.8176.300000112M1 I2 G3 R9 F91M1-A5 PolarHBondContact O-N 3.1Å; M1-A5 VanDerWaalsContact O-N 3.08Å; I2-A5 PolarHBondContact O-N 3.47Å; G3-A5 VanDerWaalsContact C-N 3.35Å; G3-A5 PolarHBondContact O-N 2.89Å; A5-R9 VanDerWaalsContact O-CB 3.28Å; A5-R9 WeakPolarHBondContact O-CB 3.43Å; A5-R9 PolarHBondContact O-N 2.71Å; A5-F91 HydrophobicContact CB-CE2 4.35Å
6I94.8Very high92.9Very high71 Ų7163.6 Ų63.636%0.36431%0.311SS..Hα-helixtrans-67.4-49.6176.3-62.7167.5000110.5I2 G3 A4 H8 R9 I10 V120I2-I6 HydrophobicContact CG2-CD1 4.02Å; I2-I6 WeakPolarHBondContact O-CG1 3.45Å; I2-I6 PolarHBondContact O-N 3.39Å; I2-I6 VanDerWaalsContact O-N 3.12Å; G3-I6 WeakPolarHBondContact O-CB 3.39Å; G3-I6 PolarHBondContact O-N 2.98Å; G3-I6 VanDerWaalsContact O-N 3.12Å; A4-I6 VanDerWaalsContact C-N 3.3Å; A4-I6 PolarHBondContact O-N 2.98Å; I6-H8 PolarHBondContact O-N 2.9Å; I6-R9 PolarHBondContact O-N 3.08Å; I6-I10 HydrophobicContact CG2-CD1 3.66Å; I6-I10 HydrophobicContact CG2-CG1 4.49Å; I6-I10 WeakPolarHBondContact O-CG1 3.27Å; I6-I10 PolarHBondContact O-N 2.95Å; I6-V120 HydrophobicContact CG2-CG1 3.81Å; I6-V120 HydrophobicContact CG2-CG2 4.49Å
7F95Very high93Very high0 Ų068.8 Ų68.80%033%0.331CS..Hα-helixtrans-60.5-47.4178.5-70.6-63.1000112.1G3 A4 R9 I10 E11 W89 F97 V120 C121 F124G3-F7 WeakPolarHBondContact O-CD2 3.46Å; G3-F7 PolarHBondContact O-N 3.42Å; A4-F7 PolarHBondContact O-N 3.44Å; F7-R9 VanDerWaalsContact C-N 3.28Å; F7-R9 PolarHBondContact O-N 2.95Å; F7-I10 PolarHBondContact O-N 3.31Å; F7-E11 WeakPolarHBondContact O-CB 3.33Å; F7-E11 PolarHBondContact O-N 3.14Å; F7-W89 HydrophobicContact CB-CH2 4.43Å; F7-W89 HydrophobicContact CB-CZ3 3.91Å; F7-F97 HydrophobicContact CD1-CD1 4.47Å; F7-F97 AromaticContact CD1-CE1 3.92Å; F7-F97 HydrophobicContact CD1-CE1 3.92Å; F7-F97 AromaticContact CD2-CD1 3.82Å; F7-F97 HydrophobicContact CD2-CD1 3.82Å; F7-F97 AromaticContact CD2-CE1 3.82Å; F7-F97 HydrophobicContact CD2-CE1 3.82Å; F7-F97 AromaticContact CE1-CE1 3.85Å; F7-F97 HydrophobicContact CE1-CE1 3.85Å; F7-F97 HydrophobicContact CE2-CD1 4.11Å; F7-F97 AromaticContact CE2-CE1 3.76Å; F7-F97 HydrophobicContact CE2-CE1 3.76Å; F7-F97 HydrophobicContact CG-CD1 4.05Å; F7-F97 AromaticContact CG-CE1 3.93Å; F7-F97 HydrophobicContact CG-CE1 3.93Å; F7-F97 AromaticContact CZ-CE1 3.78Å; F7-F97 HydrophobicContact CZ-CE1 3.78Å; F7-V120 HydrophobicContact CE1-CB 4.3Å; F7-V120 HydrophobicContact CE1-CG1 3.87Å; F7-V120 HydrophobicContact CZ-CG1 3.95Å; F7-C121 HydrophobicContact CE1-CB 3.97Å; F7-C121 HydrophobicContact CZ-CB 4.08Å; F7-F124 AromaticContact CE2-CD1 3.92Å; F7-F124 HydrophobicContact CE2-CD1 3.92Å; F7-F124 HydrophobicContact CE2-CE1 4.31Å; F7-F124 HydrophobicContact CE2-CG 4.29Å; F7-F124 HydrophobicContact CZ-CB 4.34Å; F7-F124 HydrophobicContact CZ-CD1 4.24Å; F7-F124 HydrophobicContact CZ-CG 4.48Å
8H94.8Very high93Very high52 Ų5267.6 Ų67.624%0.24133%0.325CS..Hα-helixtrans-56.3-43.2175.7178.5-88000111.7A4 I6 I10 L12 W89 F91 A94A4-H8 VanDerWaalsContact O-CB 3.26Å; A4-H8 WeakPolarHBondContact O-CB 3.3Å; A4-H8 PolarHBondContact O-N 3.12Å; I6-H8 PolarHBondContact O-N 2.9Å; H8-I10 VanDerWaalsContact C-N 3.34Å; H8-I10 PolarHBondContact O-N 3.31Å; H8-L12 WeakPolarHBondContact NE2-CD2 3.34Å; H8-L12 WeakPolarHBondContact O-CB 3.38Å; H8-L12 PolarHBondContact O-N 2.97Å; H8-W89 PolarHBondContact CD2-O 2.68Å; H8-F91 PolarHBondContact CD2-N 2.86Å; H8-F91 VanDerWaalsContact CD2-N 3.34Å; H8-A94 HydrophobicContact CB-CB 3.97Å
9R94.8Very high93Very high208 Ų20864.1 Ų64.179%0.78531%0.309SS*.Hα-helixtrans-68.3-31.4-179.4-174.4171.2-177.7157.81.1113.4A5 I6 F7 P13A5-R9 VanDerWaalsContact O-CB 3.28Å; A5-R9 WeakPolarHBondContact O-CB 3.43Å; A5-R9 PolarHBondContact O-N 2.71Å; I6-R9 PolarHBondContact O-N 3.08Å; F7-R9 VanDerWaalsContact C-N 3.28Å; F7-R9 PolarHBondContact O-N 2.95Å; R9-P13 WeakPolarHBondContact O-CD 3.26Å
10I94.8Very high93.1Very high49 Ų4966.2 Ų66.225%0.25131%0.313SS..Hα-helixtrans-87.1-50.1-177.2-66.3171.5000111.3I6 F7 H8 T116 V120I6-I10 HydrophobicContact CG2-CD1 3.66Å; I6-I10 HydrophobicContact CG2-CG1 4.49Å; I6-I10 WeakPolarHBondContact O-CG1 3.27Å; I6-I10 PolarHBondContact O-N 2.95Å; F7-I10 PolarHBondContact O-N 3.31Å; H8-I10 VanDerWaalsContact C-N 3.34Å; H8-I10 PolarHBondContact O-N 3.31Å; I10-T116 HydrophobicContact CD1-CG2 4.2Å; I10-V120 HydrophobicContact CD1-CG2 4.02Å
11E94.3Very high93.1Very high1 Ų165.6 Ų65.61%0.00532%0.319CS..Hα-helixtrans-83.4-37.2-169.7-66.2-68.7144.500112.7F7 H14 E15 W89 P112 V113 T114 G117F7-E11 WeakPolarHBondContact O-CB 3.33Å; F7-E11 PolarHBondContact O-N 3.14Å; E11-H14 PolarHBondContact O-N 3.08Å; E11-H14 VanDerWaalsContact O-N 3.12Å; E11-E15 WeakPolarHBondContact O-CB 3.45Å; E11-E15 PolarHBondContact O-N 3.3Å; E11-W89 HydrophobicContact CB-CD2 3.79Å; E11-W89 HydrophobicContact CB-CE3 4.49Å; E11-W89 HydrophobicContact CB-CG 3.86Å; E11-W89 HydrophobicContact CB-CZ2 4.24Å; E11-W89 HydrophobicContact CG-CD2 4.42Å; E11-W89 HydrophobicContact CG-CZ2 4Å; E11-P112 HydrophobicContact CG-CB 4.4Å; E11-V113 WeakPolarHBondContact OE2-CG2 3.02Å; E11-V113 PolarHBondContact OE2-N 2.99Å; E11-V113 VanDerWaalsContact OE2-N 3.12Å; E11-T114 WeakPolarHBondContact OE1-CB 3.27Å; E11-T114 WeakPolarHBondContact OE1-CG2 3.42Å; E11-T114 PolarHBondContact OE1-N 3.29Å; E11-T114 PolarHBondContact OE1-OG1 3.39Å; E11-G117 WeakPolarHBondContact OE1-CA 3.3Å
12L94Very high93.5Very high17 Ų1759.2 Ų59.29%0.08929%0.289CS..Hα-helixtrans-59.6-47.2-175.6177.869.3000113.4H8 H14 E15 R16 D87 W89H8-L12 WeakPolarHBondContact NE2-CD2 3.34Å; H8-L12 WeakPolarHBondContact O-CB 3.38Å; H8-L12 PolarHBondContact O-N 2.97Å; L12-H14 VanDerWaalsContact C-N 3.28Å; L12-H14 PolarHBondContact O-N 3.01Å; L12-E15 PolarHBondContact O-N 3.03Å; L12-R16 HydrophobicContact CD1-CG 4.19Å; L12-R16 WeakPolarHBondContact O-CG 3.36Å; L12-R16 PolarHBondContact O-N 2.48Å; L12-D87 HydrophobicContact CD1-CB 3.89Å; L12-W89 HydrophobicContact CB-CB 4.14Å; L12-W89 HydrophobicContact CD1-CB 4.23Å
13P94.5Very high93.8Very high78 Ų7852.7 Ų52.751%0.50626%0.255SS..Hα-helixtrans-62.6-35.3176.7-23.334.9000113.1R9 K17R9-P13 WeakPolarHBondContact O-CD 3.26Å; P13-K17 WeakPolarHBondContact O-CB 3.2Å; P13-K17 PolarHBondContact O-N 2.9Å
14H93.3Very high94Very high70 Ų7055 Ų5532%0.32427%0.266SS..Hα-helixtrans-69.1-46.4177.6-178.874.5000111.2E11 L12 K17 M18 T114E11-H14 PolarHBondContact O-N 3.08Å; E11-H14 VanDerWaalsContact O-N 3.12Å; L12-H14 VanDerWaalsContact C-N 3.28Å; L12-H14 PolarHBondContact O-N 3.01Å; H14-K17 PolarHBondContact O-N 3.38Å; H14-M18 VanDerWaalsContact O-CG 3.32Å; H14-M18 WeakPolarHBondContact O-CG 3.27Å; H14-M18 PolarHBondContact O-N 2.94Å; H14-T114 HydrophobicContact CB-CG2 3.77Å; H14-T114 VanDerWaalsContact CD2-CG2 3.42Å; H14-T114 WeakPolarHBondContact CD2-CG2 3.48Å; H14-T114 VanDerWaalsContact CG-CG2 3.45Å
15E93.5Very high94.1Very high16 Ų1658.7 Ų58.78%0.07529%0.286CS..Hα-helixtrans-55.2-55.2176.1-174.1-163165.800110.8E11 L12 K17 M18 K19 E88 W89E11-E15 WeakPolarHBondContact O-CB 3.45Å; E11-E15 PolarHBondContact O-N 3.3Å; L12-E15 PolarHBondContact O-N 3.03Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.46Å; E15-M18 PolarHBondContact O-N 3.47Å; E15-M18 VanDerWaalsContact O-N 3.15Å; E15-K19 HydrophobicContact CG-CD 3.99Å; E15-K19 HydrophobicContact CG-CG 4.29Å; E15-K19 WeakPolarHBondContact O-CB 3.37Å; E15-K19 PolarHBondContact O-N 2.91Å; E15-K19 VanDerWaalsContact OE1-CE 3.27Å; E15-K19 WeakPolarHBondContact OE1-CE 3.48Å; E15-K19 IonicContact OE1-NZ 3.37Å; E15-K19 PolarHBondContact OE1-NZ 3.4Å; E15-E88 WeakPolarHBondContact OE1-CB 3.32Å; E15-E88 PolarHBondContact OE1-N 2.81Å; E15-E88 PolarHBondContact OE2-N 2.94Å; E15-W89 WeakPolarHBondContact OE2-CB 3.12Å; E15-W89 VanDerWaalsContact OE2-CD1 3.25Å; E15-W89 PolarHBondContact OE2-N 3.2Å
16R93.7Very high94.1Very high121 Ų12156.6 Ų56.646%0.45727%0.268SS..Hα-helixtrans-56.2-43.4-179.6-75-179.6172.2-179.30.8112.2L12 R20 D87L12-R16 HydrophobicContact CD1-CG 4.19Å; L12-R16 WeakPolarHBondContact O-CG 3.36Å; L12-R16 PolarHBondContact O-N 2.48Å; R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 PolarHBondContact O-N 2.9Å; R16-D87 WeakPolarHBondContact CG-OD1 3.34Å; R16-D87 IonicContact CZ-OD1 3.43Å; R16-D87 IonicContact CZ-OD2 3.48Å; R16-D87 IonicContact NE-OD1 3.87Å; R16-D87 PolarHBondContact NE-OD1 3.42Å; R16-D87 IonicContact NE-OD2 2.66Å; R16-D87 PolarHBondContact NE-OD2 3.24Å; R16-D87 IonicContact NH2-OD1 3.69Å; R16-D87 IonicContact NH2-OD2 2.98Å; R16-D87 PolarHBondContact NH2-OD2 2.73Å
17K94.2Very high94.1Very high151 Ų15159.4 Ų59.466%0.65728%0.275SS*.Hα-helixtrans-63.9-45.6178.8-174.4-179.2177.7179.80111.6P13 H14 E15 A21P13-K17 WeakPolarHBondContact O-CB 3.2Å; P13-K17 PolarHBondContact O-N 2.9Å; H14-K17 PolarHBondContact O-N 3.38Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.46Å; K17-A21 WeakPolarHBondContact O-CB 3.34Å; K17-A21 PolarHBondContact O-N 3.24Å
18M92.8Very high94Very high47 Ų4765.6 Ų65.623%0.23230%0.304CS..Hα-helixtrans-70.8-44.3-178.1-67-62.292.500112.3H14 E15 R20 A21 S22 Y73H14-M18 VanDerWaalsContact O-CG 3.32Å; H14-M18 WeakPolarHBondContact O-CG 3.27Å; H14-M18 PolarHBondContact O-N 2.94Å; E15-M18 PolarHBondContact O-N 3.47Å; E15-M18 VanDerWaalsContact O-N 3.15Å; M18-R20 PolarHBondContact O-N 2.99Å; M18-A21 PolarHBondContact O-N 3.35Å; M18-S22 WeakPolarHBondContact O-CB 3.46Å; M18-S22 PolarHBondContact O-N 2.85Å; M18-Y73 HydrophobicContact CB-CD1 3.68Å; M18-Y73 HydrophobicContact CB-CE1 3.75Å; M18-Y73 HydrophobicContact CG-CD1 4.37Å; M18-Y73 HydrophobicContact CG-CE1 4.06Å; M18-Y73 HydrophobicContact SD-CE1 4.08Å
19K93.6Very high94Very high2 Ų267.2 Ų67.21%0.00931%0.308CS..Hα-helixtrans-60.9-44.3175.4-74.2-170.2166.5177.90111.7E15 S22 L23 Y73 L75 E79 T85 I86 E88E15-K19 HydrophobicContact CG-CD 3.99Å; E15-K19 HydrophobicContact CG-CG 4.29Å; E15-K19 WeakPolarHBondContact O-CB 3.37Å; E15-K19 PolarHBondContact O-N 2.91Å; E15-K19 VanDerWaalsContact OE1-CE 3.27Å; E15-K19 WeakPolarHBondContact OE1-CE 3.48Å; E15-K19 IonicContact OE1-NZ 3.37Å; E15-K19 PolarHBondContact OE1-NZ 3.4Å; K19-S22 PolarHBondContact O-N 3.45Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.44Å; K19-Y73 VanDerWaalsContact CE-O 3.29Å; K19-Y73 WeakPolarHBondContact CE-O 3.22Å; K19-L75 HydrophobicContact CB-CD1 3.86Å; K19-L75 HydrophobicContact CD-CD1 4.03Å; K19-L75 HydrophobicContact CG-CD1 3.7Å; K19-E79 IonicContact NZ-OE1 3.03Å; K19-E79 PolarHBondContact NZ-OE1 3.32Å; K19-T85 HydrophobicContact CB-CG2 3.93Å; K19-I86 PolarHBondContact NZ-O 3.46Å; K19-E88 IonicContact NZ-OE1 3.78Å
20R94.2Very high94Very high105 Ų10562.7 Ų62.740%0.39629%0.291SS..Hα-helixtrans-63.7-50178.4-173.969.2-151.5178.94112.1R16 M18 S22 L23 D24R16-R20 WeakPolarHBondContact O-CB 3.44Å; R16-R20 PolarHBondContact O-N 2.9Å; M18-R20 PolarHBondContact O-N 2.99Å; R20-S22 VanDerWaalsContact C-N 3.26Å; R20-S22 PolarHBondContact O-N 2.91Å; R20-L23 PolarHBondContact O-N 3.06Å; R20-L23 VanDerWaalsContact O-N 3.12Å; R20-D24 IonicContact CZ-OD1 3.83Å; R20-D24 VanDerWaalsContact CZ-OD1 3.26Å; R20-D24 IonicContact NE-OD1 3.57Å; R20-D24 PolarHBondContact NE-OD1 2.99Å; R20-D24 VanDerWaalsContact NE-OD1 3.14Å; R20-D24 IonicContact NE-OD2 2.79Å; R20-D24 PolarHBondContact NE-OD2 3.39Å; R20-D24 IonicContact NH2-OD1 2.7Å; R20-D24 PolarHBondContact NH2-OD1 3.49Å; R20-D24 VanDerWaalsContact O-CG 3.32Å; R20-D24 PolarHBondContact O-N 3.35Å
21A94.3Very high94Very high54 Ų5464.6 Ų64.645%0.44630%0.298SS..Hα-helixtrans-58.5-40.3177.700000112K17 M18 D24 D25K17-A21 WeakPolarHBondContact O-CB 3.34Å; K17-A21 PolarHBondContact O-N 3.24Å; M18-A21 PolarHBondContact O-N 3.35Å; A21-D24 PolarHBondContact O-N 3.47Å; A21-D25 WeakPolarHBondContact O-CB 3.38Å; A21-D25 PolarHBondContact O-N 2.94Å
22S92.9Very high93.9Very high7 Ų767.4 Ų67.45%0.04931%0.311CS..Hα-helixtrans-67.5-37.3176.2-178.40000113.2M18 K19 R20 I26 S69M18-S22 WeakPolarHBondContact O-CB 3.46Å; M18-S22 PolarHBondContact O-N 2.85Å; K19-S22 PolarHBondContact O-N 3.45Å; R20-S22 VanDerWaalsContact C-N 3.26Å; R20-S22 PolarHBondContact O-N 2.91Å; S22-I26 WeakPolarHBondContact O-CD1 3.12Å; S22-I26 WeakPolarHBondContact O-CG1 3.34Å; S22-I26 PolarHBondContact O-N 3.24Å; S22-S69 VanDerWaalsContact OG-CB 3.24Å; S22-S69 WeakPolarHBondContact OG-CB 3.37Å; S22-S69 PolarHBondContact OG-OG 2.87Å
23L94.7Very high93.9Very high3 Ų368 Ų682%0.01631%0.314CS..Hα-helixtrans-66.7-41.5176.1-79.6173.1000111.4K19 R20 I26 Y27 L75 I80 T85K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.44Å; R20-L23 PolarHBondContact O-N 3.06Å; R20-L23 VanDerWaalsContact O-N 3.12Å; L23-I26 PolarHBondContact O-N 3.27Å; L23-Y27 WeakPolarHBondContact O-CB 3.19Å; L23-Y27 PolarHBondContact O-N 2.66Å; L23-L75 HydrophobicContact CD2-CD2 3.73Å; L23-L75 HydrophobicContact CD2-CG 4.44Å; L23-L75 HydrophobicContact CG-CD1 4.4Å; L23-L75 HydrophobicContact CG-CD2 4.03Å; L23-I80 HydrophobicContact CD2-CB 4.49Å; L23-I80 HydrophobicContact CD2-CG1 4.1Å; L23-T85 HydrophobicContact CD1-CG2 3.56Å
24D95.1Very high93.9Very high57 Ų5769.1 Ų69.131%0.30531%0.314SS..Hα-helixtrans-63.1-43.5177.7-64.9-31.9000110.3R20 A21 Y27 E28R20-D24 IonicContact CZ-OD1 3.83Å; R20-D24 VanDerWaalsContact CZ-OD1 3.26Å; R20-D24 IonicContact NE-OD1 3.57Å; R20-D24 PolarHBondContact NE-OD1 2.99Å; R20-D24 VanDerWaalsContact NE-OD1 3.14Å; R20-D24 IonicContact NE-OD2 2.79Å; R20-D24 PolarHBondContact NE-OD2 3.39Å; R20-D24 IonicContact NH2-OD1 2.7Å; R20-D24 PolarHBondContact NH2-OD1 3.49Å; R20-D24 VanDerWaalsContact O-CG 3.32Å; R20-D24 PolarHBondContact O-N 3.35Å; A21-D24 PolarHBondContact O-N 3.47Å; D24-Y27 PolarHBondContact O-N 3.37Å; D24-E28 WeakPolarHBondContact O-CB 3.36Å; D24-E28 WeakPolarHBondContact O-CG 3.36Å; D24-E28 PolarHBondContact O-N 3.38Å
25D93.8Very high94Very high76 Ų7672.1 Ų72.141%0.40632%0.322SS..Hα-helixtrans-62.2-44174.9-17235.9000112.7A21 Y27 E28 R29 L65A21-D25 WeakPolarHBondContact O-CB 3.38Å; A21-D25 PolarHBondContact O-N 2.94Å; D25-Y27 VanDerWaalsContact C-N 3.32Å; D25-Y27 PolarHBondContact O-N 3.45Å; D25-E28 PolarHBondContact O-N 2.9Å; D25-R29 WeakPolarHBondContact O-CB 3.38Å; D25-R29 PolarHBondContact O-N 3.09Å; D25-L65 WeakPolarHBondContact OD2-CD1 3.38Å
26I94.1Very high93.8Very high4 Ų473.7 Ų73.72%0.02133%0.33CS..Hα-helixtrans-61.5-43.1175-69.8162.1000110.8S22 L23 R30 L65 L66 L75 I80S22-I26 WeakPolarHBondContact O-CD1 3.12Å; S22-I26 WeakPolarHBondContact O-CG1 3.34Å; S22-I26 PolarHBondContact O-N 3.24Å; L23-I26 PolarHBondContact O-N 3.27Å; I26-R30 HydrophobicContact CG2-CG 4.4Å; I26-R30 WeakPolarHBondContact O-CB 3.49Å; I26-R30 WeakPolarHBondContact O-CG 3.21Å; I26-R30 PolarHBondContact O-N 2.85Å; I26-L65 HydrophobicContact CB-CD2 4.43Å; I26-L65 HydrophobicContact CG1-CD2 3.88Å; I26-L65 HydrophobicContact CG1-CG 3.89Å; I26-L66 HydrophobicContact CD1-CD2 4.03Å; I26-L66 HydrophobicContact CG1-CD2 4.32Å; I26-L66 HydrophobicContact CG2-CD2 4.02Å; I26-L75 HydrophobicContact CD1-CD2 3.87Å; I26-I80 HydrophobicContact CD1-CD1 4.48Å; I26-I80 HydrophobicContact CD1-CG1 4.26Å; I26-I80 HydrophobicContact CG2-CG2 4.16Å
27Y93.6Very high93.7Very high129 Ų12969.5 Ų69.551%0.50632%0.316SS..Hα-helixtrans-64.1-47.1179.3-179.2-94000111.2L23 D24 D25 R30 F31L23-Y27 WeakPolarHBondContact O-CB 3.19Å; L23-Y27 PolarHBondContact O-N 2.66Å; D24-Y27 PolarHBondContact O-N 3.37Å; D25-Y27 VanDerWaalsContact C-N 3.32Å; D25-Y27 PolarHBondContact O-N 3.45Å; Y27-R30 PolarHBondContact O-N 2.88Å; Y27-F31 WeakPolarHBondContact O-CB 3.46Å; Y27-F31 PolarHBondContact O-N 3.46Å
28E94.2Very high93.6Very high131 Ų13171.1 Ų71.161%0.61232%0.318SS*.Hα-helixtrans-60.4-46.6177.3-75.1-178.6-173.600111.6D24 D25 R30 F31 E32D24-E28 WeakPolarHBondContact O-CB 3.36Å; D24-E28 WeakPolarHBondContact O-CG 3.36Å; D24-E28 PolarHBondContact O-N 3.38Å; D25-E28 PolarHBondContact O-N 2.9Å; E28-R30 PolarHBondContact O-N 3.22Å; E28-F31 PolarHBondContact O-N 3.41Å; E28-E32 WeakPolarHBondContact O-CB 3.49Å; E28-E32 PolarHBondContact O-N 3.38Å
29R94Very high93.5Very high86 Ų8674.1 Ų74.133%0.32533%0.332SS..Hα-helixtrans-65.1-39.8-179.6-157.769.4172.3126.7-3.2112.6D25 M33 N61 V62 L65D25-R29 WeakPolarHBondContact O-CB 3.38Å; D25-R29 PolarHBondContact O-N 3.09Å; R29-M33 PolarHBondContact O-N 2.82Å; R29-M33 VanDerWaalsContact O-N 3.09Å; R29-N61 PolarHBondContact NH2-ND2 3.12Å; R29-V62 HydrophobicContact CB-CG2 4.38Å; R29-V62 HydrophobicContact CG-CG2 3.91Å; R29-L65 HydrophobicContact CB-CD2 3.95Å; R29-L65 HydrophobicContact CG-CD2 4.35Å
30R94.1Very high93.3Very high112 Ų11275.8 Ų75.842%0.42334%0.34SS..Hα-helixtrans-65.9-41.9174.5-74.3176.268.7-172.31.1111.8I26 Y27 E28 I34 V62I26-R30 HydrophobicContact CG2-CG 4.4Å; I26-R30 WeakPolarHBondContact O-CB 3.49Å; I26-R30 WeakPolarHBondContact O-CG 3.21Å; I26-R30 PolarHBondContact O-N 2.85Å; Y27-R30 PolarHBondContact O-N 2.88Å; E28-R30 PolarHBondContact O-N 3.22Å; R30-I34 WeakPolarHBondContact O-CG1 3.19Å; R30-I34 PolarHBondContact O-N 3.18Å; R30-V62 HydrophobicContact CG-CG1 3.98Å; R30-V62 HydrophobicContact CG-CG2 4.47Å
31F94.8Very high93Very high90 Ų9074.2 Ų74.240%0.39535%0.35SS..Hα-helixtrans-67.2-40.4179-165-81.9000111.4Y27 E28 I34 R35Y27-F31 WeakPolarHBondContact O-CB 3.46Å; Y27-F31 PolarHBondContact O-N 3.46Å; E28-F31 PolarHBondContact O-N 3.41Å; F31-I34 PolarHBondContact O-N 2.99Å; F31-R35 VanDerWaalsContact CD1-NH2 3.3Å; F31-R35 VanDerWaalsContact CE1-CZ 3.41Å; F31-R35 WeakPolarHBondContact O-CB 3.35Å; F31-R35 PolarHBondContact O-N 3.26Å
32E93.6Very high92.7Very high59 Ų5981.6 Ų81.628%0.27637%0.366SS..Hα-helixtrans-62.9-43.3177.3-173.457.1-158.200111.8E28 I34 R35 Q36E28-E32 WeakPolarHBondContact O-CB 3.49Å; E28-E32 PolarHBondContact O-N 3.38Å; E32-I34 PolarHBondContact O-N 3.07Å; E32-R35 PolarHBondContact O-N 3.17Å; E32-R35 IonicContact OE2-CZ 3.37Å; E32-R35 IonicContact OE2-NH1 2.98Å; E32-R35 PolarHBondContact OE2-NH1 3.37Å; E32-Q36 HydrophobicContact CG-CG 4.44Å; E32-Q36 WeakPolarHBondContact O-CB 3.22Å; E32-Q36 VanDerWaalsContact O-CG 3.27Å; E32-Q36 WeakPolarHBondContact O-CG 3.49Å; E32-Q36 PolarHBondContact O-N 3.06Å; E32-Q36 PolarHBondContact O-OE1 3.49Å; E32-Q36 VanDerWaalsContact OE1-CD 3.23Å; E32-Q36 WeakPolarHBondContact OE1-CG 3.15Å; E32-Q36 PolarHBondContact OE1-NE2 3.49Å
33M93.5Very high92.4Very high31 Ų3185.7 Ų85.715%0.15338%0.384CS..Hα-helixtrans-54.4-50.5172.2177.1178.477.200111.7R29 R35 Q36 L37 S58 M59 V62R29-M33 PolarHBondContact O-N 2.82Å; R29-M33 VanDerWaalsContact O-N 3.09Å; M33-R35 VanDerWaalsContact C-N 3.33Å; M33-R35 PolarHBondContact O-N 3.42Å; M33-Q36 PolarHBondContact O-N 3.3Å; M33-L37 HydrophobicContact CG-CD1 3.86Å; M33-L37 WeakPolarHBondContact O-CB 3.46Å; M33-L37 VanDerWaalsContact O-CG 3.26Å; M33-L37 WeakPolarHBondContact O-CG 3.37Å; M33-L37 PolarHBondContact O-N 2.85Å; M33-S58 WeakPolarHBondContact CB-OG 2.85Å; M33-S58 WeakPolarHBondContact CG-OG 3.36Å; M33-M59 HydrophobicContact SD-CG 3.96Å; M33-V62 HydrophobicContact SD-CG2 4.4Å
34I93.9Very high91.5Very high100 Ų10095.4 Ų95.451%0.51343%0.429SS..Hα-helixtrans-62.5-42.9-179.6-66.6165.7000110.7R30 F31 E32 Q36 W38R30-I34 WeakPolarHBondContact O-CG1 3.19Å; R30-I34 PolarHBondContact O-N 3.18Å; F31-I34 PolarHBondContact O-N 2.99Å; E32-I34 PolarHBondContact O-N 3.07Å; I34-Q36 PolarHBondContact O-N 2.91Å; I34-W38 VanDerWaalsContact O-CB 3.27Å; I34-W38 WeakPolarHBondContact O-CB 3.05Å; I34-W38 PolarHBondContact O-N 3.02Å
35R94.5Very high90.4Very high133 Ų13398.5 Ų98.550%0.50245%0.451SS..Hα-helixtrans-62.1-43.4-180-175.1-172.8-73.1133.7-9.2111.7F31 E32 M33 W38 H39F31-R35 VanDerWaalsContact CD1-NH2 3.3Å; F31-R35 VanDerWaalsContact CE1-CZ 3.41Å; F31-R35 WeakPolarHBondContact O-CB 3.35Å; F31-R35 PolarHBondContact O-N 3.26Å; E32-R35 PolarHBondContact O-N 3.17Å; E32-R35 IonicContact OE2-CZ 3.37Å; E32-R35 IonicContact OE2-NH1 2.98Å; E32-R35 PolarHBondContact OE2-NH1 3.37Å; M33-R35 VanDerWaalsContact C-N 3.33Å; M33-R35 PolarHBondContact O-N 3.42Å; R35-W38 PolarHBondContact O-N 3.45Å; R35-H39 PolarHBondContact O-N 3.25Å
36Q91.2Very high89.3Confident49 Ų4996.8 Ų96.823%0.22945%0.447CS..Hα-helixtrans-71.7-41.9-179.1-69.8165.5-24.200111.9E32 M33 I34 W38 H39 M40 Y54E32-Q36 HydrophobicContact CG-CG 4.44Å; E32-Q36 WeakPolarHBondContact O-CB 3.22Å; E32-Q36 VanDerWaalsContact O-CG 3.27Å; E32-Q36 WeakPolarHBondContact O-CG 3.49Å; E32-Q36 PolarHBondContact O-N 3.06Å; E32-Q36 PolarHBondContact O-OE1 3.49Å; E32-Q36 VanDerWaalsContact OE1-CD 3.23Å; E32-Q36 WeakPolarHBondContact OE1-CG 3.15Å; E32-Q36 PolarHBondContact OE1-NE2 3.49Å; M33-Q36 PolarHBondContact O-N 3.3Å; I34-Q36 PolarHBondContact O-N 2.91Å; Q36-W38 VanDerWaalsContact C-N 3.3Å; Q36-W38 PolarHBondContact O-N 3.42Å; Q36-H39 PolarHBondContact O-N 2.91Å; Q36-M40 PolarHBondContact O-N 3.38Å; Q36-Y54 HydrophobicContact CB-CE1 3.74Å; Q36-Y54 PolarHBondContact NE2-OH 2.94Å; Q36-Y54 PolarHBondContact OE1-OH 2.75Å
37L91.6Very high88.9Confident33 Ų33102.1 Ų102.117%0.17348%0.476CS..Hα-helixtrans-61-41172.4-68.8171.7000111.6M33 H39 M40 A41 F51 Y54 A55M33-L37 HydrophobicContact CG-CD1 3.86Å; M33-L37 WeakPolarHBondContact O-CB 3.46Å; M33-L37 VanDerWaalsContact O-CG 3.26Å; M33-L37 WeakPolarHBondContact O-CG 3.37Å; M33-L37 PolarHBondContact O-N 2.85Å; L37-H39 VanDerWaalsContact C-N 3.33Å; L37-H39 PolarHBondContact O-N 2.91Å; L37-M40 HydrophobicContact CD2-CE 3.8Å; L37-M40 HydrophobicContact CG-CE 4.5Å; L37-A41 VanDerWaalsContact O-CB 3.27Å; L37-A41 WeakPolarHBondContact O-CB 3.24Å; L37-A41 PolarHBondContact O-N 3.4Å; L37-F51 HydrophobicContact CB-CE2 4.17Å; L37-F51 HydrophobicContact CB-CZ 4.32Å; L37-F51 HydrophobicContact CD2-CD2 4.27Å; L37-F51 HydrophobicContact CD2-CE1 4.31Å; L37-F51 HydrophobicContact CD2-CE2 3.7Å; L37-F51 HydrophobicContact CD2-CZ 3.72Å; L37-Y54 HydrophobicContact CD2-CD1 4.2Å; L37-A55 HydrophobicContact CD2-CB 3.74Å
38W91.1Very high88.6Confident186 Ų186102.5 Ų102.571%0.70548%0.483SS*.Hα-helixtrans-63.6-37175.5-175.3-94.7000112.8I34 R35 Q36 R42I34-W38 VanDerWaalsContact O-CB 3.27Å; I34-W38 WeakPolarHBondContact O-CB 3.05Å; I34-W38 PolarHBondContact O-N 3.02Å; R35-W38 PolarHBondContact O-N 3.45Å; Q36-W38 VanDerWaalsContact C-N 3.3Å; Q36-W38 PolarHBondContact O-N 3.42Å; W38-R42 PolarHBondContact O-N 2.88Å
39H91Very high88.4Confident110 Ų110103.9 Ų103.951%0.50949%0.49SS..Hα-helixtrans-66.9-50.6176.8-166.8-85.6000111.7R35 Q36 L37 A41 R42 E43R35-H39 PolarHBondContact O-N 3.25Å; Q36-H39 PolarHBondContact O-N 2.91Å; L37-H39 VanDerWaalsContact C-N 3.33Å; L37-H39 PolarHBondContact O-N 2.91Å; H39-A41 VanDerWaalsContact C-N 3.32Å; H39-A41 PolarHBondContact O-N 3.24Å; H39-R42 PolarHBondContact O-N 3.38Å; H39-R42 VanDerWaalsContact O-N 3.08Å; H39-E43 IonicContact CE1-OE1 3.04Å; H39-E43 PolarHBondContact CE1-OE1 2.86Å; H39-E43 IonicContact CE1-OE2 3.73Å; H39-E43 PolarHBondContact CE1-OE2 3.42Å; H39-E43 VanDerWaalsContact ND1-CD 3.26Å; H39-E43 IonicContact ND1-OE1 3.19Å; H39-E43 PolarHBondContact ND1-OE1 3.47Å; H39-E43 IonicContact ND1-OE2 3.41Å; H39-E43 PolarHBondContact ND1-OE2 3.46Å; H39-E43 PolarHBondContact O-N 3.04Å; H39-E43 VanDerWaalsContact O-N 3.14Å
40M88.3Confident88.2Confident36 Ų36102.9 Ų102.918%0.17749%0.494CS..Hα-helixtrans-62.8-37.5178.7-67.5-177.2-70.700112.3Q36 L37 R42 E43 F51 Y54Q36-M40 PolarHBondContact O-N 3.38Å; L37-M40 HydrophobicContact CD2-CE 3.8Å; L37-M40 HydrophobicContact CG-CE 4.5Å; M40-R42 PolarHBondContact O-N 3.03Å; M40-E43 PolarHBondContact O-N 3.43Å; M40-E43 VanDerWaalsContact O-O 3.1Å; M40-F51 HydrophobicContact CB-CD2 4.17Å; M40-F51 HydrophobicContact CE-CD2 4.48Å; M40-Y54 HydrophobicContact CE-CD1 3.17Å; M40-Y54 HydrophobicContact CE-CD2 4.28Å; M40-Y54 HydrophobicContact CE-CE1 3.87Å; M40-Y54 HydrophobicContact CE-CG 3.42Å; M40-Y54 VanDerWaalsContact CE-CG 3.42Å; M40-Y54 HydrophobicContact SD-CD1 4.28Å; M40-Y54 HydrophobicContact SD-CD2 4.4Å; M40-Y54 HydrophobicContact SD-CG 3.96Å
41A88.1Confident88Confident73 Ų73100.4 Ų100.460%0.60349%0.486SS*.Hα-helixtrans-67.1-22.9176.700000113.3L37 H39 F51L37-A41 VanDerWaalsContact O-CB 3.27Å; L37-A41 WeakPolarHBondContact O-CB 3.24Å; L37-A41 PolarHBondContact O-N 3.4Å; H39-A41 VanDerWaalsContact C-N 3.32Å; H39-A41 PolarHBondContact O-N 3.24Å; A41-F51 HydrophobicContact CB-CE2 4.27Å
42R89Confident87.9Confident209 Ų209101 Ų10179%0.78949%0.49SS*.Hα-helixtrans-87.1-25.6177.5-173.5171.6-178.5171.11.3112.4W38 H39 M40W38-R42 PolarHBondContact O-N 2.88Å; H39-R42 PolarHBondContact O-N 3.38Å; H39-R42 VanDerWaalsContact O-N 3.08Å; M40-R42 PolarHBondContact O-N 3.03Å
43E85.4Confident87.8Confident92 Ų92105.1 Ų105.143%0.4351%0.509SS..SBendtrans-81.4114.8175.7-68.6178.213800109.4H39 M40 T45 A46H39-E43 IonicContact CE1-OE1 3.04Å; H39-E43 PolarHBondContact CE1-OE1 2.86Å; H39-E43 IonicContact CE1-OE2 3.73Å; H39-E43 PolarHBondContact CE1-OE2 3.42Å; H39-E43 VanDerWaalsContact ND1-CD 3.26Å; H39-E43 IonicContact ND1-OE1 3.19Å; H39-E43 PolarHBondContact ND1-OE1 3.47Å; H39-E43 IonicContact ND1-OE2 3.41Å; H39-E43 PolarHBondContact ND1-OE2 3.46Å; H39-E43 PolarHBondContact O-N 3.04Å; H39-E43 VanDerWaalsContact O-N 3.14Å; M40-E43 PolarHBondContact O-N 3.43Å; M40-E43 VanDerWaalsContact O-O 3.1Å; E43-T45 PolarHBondContact O-N 3.43Å; E43-A46 PolarHBondContact O-N 3.1Å
44E76.1Confident87.7Confident207 Ų207107.1 Ų107.197%0.96752%0.516SS*.THydrogen-bonded Turntrans-65.21.2-176.4-148.6169.6-160.900113.9
45T71.5Confident87.7Confident123 Ų123103.2 Ų103.276%0.75550%0.498SS*.THydrogen-bonded Turntrans-97.2-8.1-175.155.10000114.5E43 D47E43-T45 PolarHBondContact O-N 3.43Å; T45-D47 PolarHBondContact O-N 2.88Å
46A71.2Confident87.7Confident39 Ų39101.3 Ų101.332%0.32250%0.497SS..  trans-84.2114-175.700000111.5E43E43-A46 PolarHBondContact O-N 3.1Å
47D85.9Confident87.9Confident117 Ų117103.8 Ų103.863%0.62651%0.512SS*.  trans-64.4143.3169.3-70.4-36000110T45 E49 T50 F51T45-D47 PolarHBondContact O-N 2.88Å; D47-E49 PolarHBondContact O-N 3.4Å; D47-E49 VanDerWaalsContact O-N 3.1Å; D47-T50 HydrophobicContact CB-CG2 4.31Å; D47-T50 PolarHBondContact N-OG1 3.48Å; D47-T50 PolarHBondContact O-N 3.32Å; D47-T50 PolarHBondContact O-OG1 2.8Å; D47-F51 PolarHBondContact O-N 3.01Å; D47-F51 VanDerWaalsContact O-N 3.12Å
48M88.3Confident87.9Confident136 Ų136102.4 Ų102.467%0.6751%0.505SS*.Hα-helixtrans-52.2-36.6179.9-176.266.4-17000112.5F51 E52M48-F51 PolarHBondContact O-N 2.65Å; M48-E52 WeakPolarHBondContact O-CB 3.36Å; M48-E52 PolarHBondContact O-N 2.9Å
49E89.9Confident88.1Confident160 Ų16098 Ų9875%0.74849%0.493SS*.Hα-helixtrans-62.3-43.4177.1-64-177.3178.200112.1D47 E52 E53D47-E49 PolarHBondContact O-N 3.4Å; D47-E49 VanDerWaalsContact O-N 3.1Å; E49-E52 PolarHBondContact O-N 3.33Å; E49-E53 WeakPolarHBondContact O-CB 3.35Å; E49-E53 PolarHBondContact O-N 3.41Å
50T88.9Confident88.3Confident66 Ų6695.4 Ų95.441%0.40549%0.49SS..Hα-helixtrans-69.2-38.6179.264.80000112.2D47 Y54D47-T50 HydrophobicContact CB-CG2 4.31Å; D47-T50 PolarHBondContact N-OG1 3.48Å; D47-T50 PolarHBondContact O-N 3.32Å; D47-T50 PolarHBondContact O-OG1 2.8Å; T50-Y54 PolarHBondContact O-N 3Å; T50-Y54 VanDerWaalsContact O-N 3.08Å
51F90.8Very high88.6Confident59 Ų5996.1 Ų96.126%0.25950%0.495SS..Hα-helixtrans-63.8-44.9174.9179.4-89.1000111.2L37 M40 A41 D47 M48 Y54 A55L37-F51 HydrophobicContact CB-CE2 4.17Å; L37-F51 HydrophobicContact CB-CZ 4.32Å; L37-F51 HydrophobicContact CD2-CD2 4.27Å; L37-F51 HydrophobicContact CD2-CE1 4.31Å; L37-F51 HydrophobicContact CD2-CE2 3.7Å; L37-F51 HydrophobicContact CD2-CZ 3.72Å; M40-F51 HydrophobicContact CB-CD2 4.17Å; M40-F51 HydrophobicContact CE-CD2 4.48Å; A41-F51 HydrophobicContact CB-CE2 4.27Å; D47-F51 PolarHBondContact O-N 3.01Å; D47-F51 VanDerWaalsContact O-N 3.12Å; M48-F51 PolarHBondContact O-N 2.65Å; F51-Y54 PolarHBondContact O-N 2.89Å; F51-A55 WeakPolarHBondContact O-CB 3.2Å; F51-A55 PolarHBondContact O-N 2.96Å
52E91.8Very high88.9Confident104 Ų10493.3 Ų93.349%0.48647%0.47SS..Hα-helixtrans-63.9-45.7177.3-175.2173.2-178.300111.7M48 E49 Y54 A55 L56M48-E52 WeakPolarHBondContact O-CB 3.36Å; M48-E52 PolarHBondContact O-N 2.9Å; E49-E52 PolarHBondContact O-N 3.33Å; E52-Y54 VanDerWaalsContact C-N 3.32Å; E52-Y54 PolarHBondContact O-N 3.32Å; E52-A55 PolarHBondContact O-N 3.4Å; E52-L56 HydrophobicContact CG-CD1 3.92Å; E52-L56 HydrophobicContact CG-CG 4.32Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 VanDerWaalsContact O-CG 3.3Å; E52-L56 WeakPolarHBondContact O-CG 3.16Å; E52-L56 PolarHBondContact O-N 2.96Å
53E92.6Very high89.2Confident144 Ų14487.5 Ų87.567%0.67346%0.458SS*.Hα-helixtrans-56.9-46.3177.1-174.1179.3-177.300111.4E49 L57E49-E53 WeakPolarHBondContact O-CB 3.35Å; E49-E53 PolarHBondContact O-N 3.41Å; E53-L57 WeakPolarHBondContact O-CB 3.43Å; E53-L57 PolarHBondContact O-N 3.05Å
54Y90.8Very high89.6Confident74 Ų7489.6 Ų89.629%0.2947%0.468SS..Hα-helixtrans-65.3-45177.3-167.3-87.2000112.7Q36 L37 M40 T50 F51 E52 L56 L57 S58Q36-Y54 HydrophobicContact CB-CE1 3.74Å; Q36-Y54 PolarHBondContact NE2-OH 2.94Å; Q36-Y54 PolarHBondContact OE1-OH 2.75Å; L37-Y54 HydrophobicContact CD2-CD1 4.2Å; M40-Y54 HydrophobicContact CE-CD1 3.17Å; M40-Y54 HydrophobicContact CE-CD2 4.28Å; M40-Y54 HydrophobicContact CE-CE1 3.87Å; M40-Y54 HydrophobicContact CE-CG 3.42Å; M40-Y54 VanDerWaalsContact CE-CG 3.42Å; M40-Y54 HydrophobicContact SD-CD1 4.28Å; M40-Y54 HydrophobicContact SD-CD2 4.4Å; M40-Y54 HydrophobicContact SD-CG 3.96Å; T50-Y54 PolarHBondContact O-N 3Å; T50-Y54 VanDerWaalsContact O-N 3.08Å; F51-Y54 PolarHBondContact O-N 2.89Å; E52-Y54 VanDerWaalsContact C-N 3.32Å; E52-Y54 PolarHBondContact O-N 3.32Å; Y54-L56 VanDerWaalsContact C-N 3.33Å; Y54-L56 PolarHBondContact O-N 3.48Å; Y54-L57 PolarHBondContact O-N 3.3Å; Y54-S58 WeakPolarHBondContact O-CB 3.32Å; Y54-S58 PolarHBondContact O-N 3.12Å
55A93.6Very high90.5Very high17 Ų1781 Ų8114%0.1443%0.428CS..Hα-helixtrans-59.6-45.417900000111.1L37 F51 E52 S58 M59L37-A55 HydrophobicContact CD2-CB 3.74Å; F51-A55 WeakPolarHBondContact O-CB 3.2Å; F51-A55 PolarHBondContact O-N 2.96Å; E52-A55 PolarHBondContact O-N 3.4Å; A55-S58 PolarHBondContact O-N 3.14Å; A55-M59 WeakPolarHBondContact O-CB 3.35Å; A55-M59 VanDerWaalsContact O-CG 3.3Å; A55-M59 WeakPolarHBondContact O-CG 3.21Å; A55-M59 PolarHBondContact O-N 3.49Å
56L94.9Very high91.6Very high93 Ų9377.1 Ų77.149%0.48740%0.403SS..Hα-helixtrans-64.6-44.4177.6-70.3174000111.8E52 Y54 M59 A60E52-L56 HydrophobicContact CG-CD1 3.92Å; E52-L56 HydrophobicContact CG-CG 4.32Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 VanDerWaalsContact O-CG 3.3Å; E52-L56 WeakPolarHBondContact O-CG 3.16Å; E52-L56 PolarHBondContact O-N 2.96Å; Y54-L56 VanDerWaalsContact C-N 3.33Å; Y54-L56 PolarHBondContact O-N 3.48Å; L56-M59 HydrophobicContact CD2-CE 3.82Å; L56-M59 PolarHBondContact O-N 3.15Å; L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 2.99Å
57L94.1Very high92.7Very high102 Ų10282.3 Ų82.353%0.53442%0.415SS..Hα-helixtrans-63.3-42.9177.1-179.364.4000112E53 Y54 A60 N61E53-L57 WeakPolarHBondContact O-CB 3.43Å; E53-L57 PolarHBondContact O-N 3.05Å; Y54-L57 PolarHBondContact O-N 3.3Å; L57-A60 PolarHBondContact O-N 2.75Å; L57-N61 PolarHBondContact O-N 2.8Å; L57-N61 PolarHBondContact O-ND2 3.01Å
58S93Very high93Very high3 Ų380.5 Ų80.52%0.02140%0.403CS..Hα-helixtrans-68.5-39.2178.3-170.70000111.9M33 Y54 A55 A60 N61 V62M33-S58 WeakPolarHBondContact CB-OG 2.85Å; M33-S58 WeakPolarHBondContact CG-OG 3.36Å; Y54-S58 WeakPolarHBondContact O-CB 3.32Å; Y54-S58 PolarHBondContact O-N 3.12Å; A55-S58 PolarHBondContact O-N 3.14Å; S58-A60 VanDerWaalsContact C-N 3.34Å; S58-N61 PolarHBondContact O-N 3.14Å; S58-V62 WeakPolarHBondContact O-CG2 2.98Å; S58-V62 PolarHBondContact O-N 3.42Å; S58-V62 VanDerWaalsContact O-N 3.07Å
59M94.8Very high93.2Very high95 Ų9574 Ų7447%0.46837%0.371SS..Hα-helixtrans-62.1-43.1172.7-77.2-164.9-63.800111.1M33 A55 L56 N61 V62 T63M33-M59 HydrophobicContact SD-CG 3.96Å; A55-M59 WeakPolarHBondContact O-CB 3.35Å; A55-M59 VanDerWaalsContact O-CG 3.3Å; A55-M59 WeakPolarHBondContact O-CG 3.21Å; A55-M59 PolarHBondContact O-N 3.49Å; L56-M59 HydrophobicContact CD2-CE 3.82Å; L56-M59 PolarHBondContact O-N 3.15Å; M59-N61 VanDerWaalsContact C-N 3.34Å; M59-N61 PolarHBondContact O-N 3.25Å; M59-V62 PolarHBondContact O-N 3.28Å; M59-T63 WeakPolarHBondContact O-CB 3.46Å; M59-T63 PolarHBondContact O-N 3.07Å; M59-T63 PolarHBondContact O-OG1 3.47Å
60A95.7Very high93.3Very high54 Ų5469.7 Ų69.745%0.44635%0.35SS..Hα-helixtrans-58.3-44.4176.600000112.1L56 L57 S58 V62 T63 E64L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 2.99Å; L57-A60 PolarHBondContact O-N 2.75Å; S58-A60 VanDerWaalsContact C-N 3.34Å; A60-V62 PolarHBondContact O-N 3.25Å; A60-T63 PolarHBondContact O-N 3.15Å; A60-E64 PolarHBondContact O-N 2.94Å
61N94.1Very high93.4Very high52 Ų5272 Ų7228%0.27836%0.355SS..Hα-helixtrans-61.8-41.5175.8-71.2-28.9000112.6R29 L57 S58 M59 E64 L65R29-N61 PolarHBondContact NH2-ND2 3.12Å; L57-N61 PolarHBondContact O-N 2.8Å; L57-N61 PolarHBondContact O-ND2 3.01Å; S58-N61 PolarHBondContact O-N 3.14Å; M59-N61 VanDerWaalsContact C-N 3.34Å; M59-N61 PolarHBondContact O-N 3.25Å; N61-E64 PolarHBondContact O-N 3.01Å; N61-L65 PolarHBondContact O-N 2.94Å
62V94.4Very high93.3Very high13 Ų1374.5 Ų74.58%0.07937%0.367CS..Hα-helixtrans-66.8-40.2175.5172.30000110.5R29 R30 M33 S58 M59 A60 L65 L66R29-V62 HydrophobicContact CB-CG2 4.38Å; R29-V62 HydrophobicContact CG-CG2 3.91Å; R30-V62 HydrophobicContact CG-CG1 3.98Å; R30-V62 HydrophobicContact CG-CG2 4.47Å; M33-V62 HydrophobicContact SD-CG2 4.4Å; S58-V62 WeakPolarHBondContact O-CG2 2.98Å; S58-V62 PolarHBondContact O-N 3.42Å; S58-V62 VanDerWaalsContact O-N 3.07Å; M59-V62 PolarHBondContact O-N 3.28Å; A60-V62 PolarHBondContact O-N 3.25Å; V62-L65 PolarHBondContact O-N 3.29Å; V62-L66 HydrophobicContact CG1-CD1 3.9Å; V62-L66 HydrophobicContact CG1-CG 4.23Å; V62-L66 WeakPolarHBondContact O-CB 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 2.84Å
63T94.8Very high93.1Very high88 Ų8872.2 Ų72.254%0.5435%0.354SS..Hα-helixtrans-63.2-41.4176.3-59.40000111.9M59 A60 L66 Y67M59-T63 WeakPolarHBondContact O-CB 3.46Å; M59-T63 PolarHBondContact O-N 3.07Å; M59-T63 PolarHBondContact O-OG1 3.47Å; A60-T63 PolarHBondContact O-N 3.15Å; T63-L66 PolarHBondContact O-N 3.28Å; T63-Y67 WeakPolarHBondContact O-CB 3.42Å; T63-Y67 PolarHBondContact O-N 2.83Å
64E95Very high92.8Very high135 Ų13570.2 Ų70.263%0.63134%0.341SS*.Hα-helixtrans-62.9-46175.1-175.4177.5-17100111.4A60 N61 L66 Y67 H68A60-E64 PolarHBondContact O-N 2.94Å; N61-E64 PolarHBondContact O-N 3.01Å; E64-L66 PolarHBondContact O-N 3.1Å; E64-Y67 PolarHBondContact O-N 3.31Å; E64-H68 WeakPolarHBondContact O-CB 3.45Å; E64-H68 PolarHBondContact O-N 3.39Å
65L93.6Very high92.7Very high26 Ų2666.9 Ų66.914%0.13633%0.328CS..Hα-helixtrans-60-47.6175.9176.657.9000111.3D25 I26 R29 N61 V62 Y67 H68 S69D25-L65 WeakPolarHBondContact OD2-CD1 3.38Å; I26-L65 HydrophobicContact CB-CD2 4.43Å; I26-L65 HydrophobicContact CG1-CD2 3.88Å; I26-L65 HydrophobicContact CG1-CG 3.89Å; R29-L65 HydrophobicContact CB-CD2 3.95Å; R29-L65 HydrophobicContact CG-CD2 4.35Å; N61-L65 PolarHBondContact O-N 2.94Å; V62-L65 PolarHBondContact O-N 3.29Å; L65-Y67 PolarHBondContact O-N 3.12Å; L65-H68 PolarHBondContact O-N 3.39Å; L65-S69 WeakPolarHBondContact O-CB 3.45Å; L65-S69 PolarHBondContact O-N 3.25Å; L65-S69 PolarHBondContact O-OG 3.12Å
66L94.7Very high92.4Very high42 Ų4268.2 Ų68.222%0.2234%0.335CS..Hα-helixtrans-56.3-51.6175.6-74.9171.2000110.6I26 V62 T63 E64 H68 S69 F70 I80I26-L66 HydrophobicContact CD1-CD2 4.03Å; I26-L66 HydrophobicContact CG1-CD2 4.32Å; I26-L66 HydrophobicContact CG2-CD2 4.02Å; V62-L66 HydrophobicContact CG1-CD1 3.9Å; V62-L66 HydrophobicContact CG1-CG 4.23Å; V62-L66 WeakPolarHBondContact O-CB 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 2.84Å; T63-L66 PolarHBondContact O-N 3.28Å; E64-L66 PolarHBondContact O-N 3.1Å; L66-H68 VanDerWaalsContact C-N 3.35Å; L66-H68 PolarHBondContact O-N 3.37Å; L66-S69 PolarHBondContact O-N 3.01Å; L66-S69 VanDerWaalsContact O-N 3.1Å; L66-F70 HydrophobicContact CB-CD2 4.15Å; L66-F70 HydrophobicContact CB-CE2 4.04Å; L66-F70 HydrophobicContact CD2-CE2 4.2Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 2.54Å; L66-I80 HydrophobicContact CD2-CD1 3.84Å; L66-I80 HydrophobicContact CD2-CG2 4.1Å
67Y94.4Very high92.2Very high148 Ų14867.2 Ų67.258%0.5834%0.335SS*.Hα-helixtrans-56.6-47.5179.5178.4-93.4000111.9T63 E64 L65 S69 F70 H71T63-Y67 WeakPolarHBondContact O-CB 3.42Å; T63-Y67 PolarHBondContact O-N 2.83Å; E64-Y67 PolarHBondContact O-N 3.31Å; L65-Y67 PolarHBondContact O-N 3.12Å; Y67-S69 VanDerWaalsContact C-N 3.33Å; Y67-S69 PolarHBondContact O-N 3.41Å; Y67-F70 PolarHBondContact O-N 3.32Å; Y67-H71 AromaticContact CD1-CD2 4Å; Y67-H71 AromaticContact CD2-CD2 3.51Å; Y67-H71 AromaticContact CD2-NE2 3.7Å; Y67-H71 AromaticContact CE1-CD2 3.69Å; Y67-H71 AromaticContact CE2-CD2 3.19Å; Y67-H71 WeakPolarHBondContact CE2-CD2 3.44Å; Y67-H71 AromaticContact CE2-NE2 3.05Å; Y67-H71 WeakPolarHBondContact CE2-NE2 3.33Å; Y67-H71 AromaticContact CG-CD2 3.91Å; Y67-H71 AromaticContact CZ-CD2 3.27Å; Y67-H71 AromaticContact CZ-NE2 3.38Å; Y67-H71 WeakPolarHBondContact O-CB 3.44Å; Y67-H71 PolarHBondContact O-CD2 3.02Å; Y67-H71 VanDerWaalsContact O-CD2 3.32Å; Y67-H71 PolarHBondContact O-N 3.2Å
68H93.8Very high92Very high79 Ų7967.4 Ų67.437%0.36633%0.333SS..Hα-helixtrans-60.1-43.1175.9173.7-92.2000111.6E64 L65 L66 H71 K72 Y73E64-H68 WeakPolarHBondContact O-CB 3.45Å; E64-H68 PolarHBondContact O-N 3.39Å; L65-H68 PolarHBondContact O-N 3.39Å; L66-H68 VanDerWaalsContact C-N 3.35Å; L66-H68 PolarHBondContact O-N 3.37Å; H68-H71 PolarHBondContact O-N 2.97Å; H68-K72 VanDerWaalsContact CE1-CD 3.46Å; H68-K72 WeakPolarHBondContact CE1-CD 3.42Å; H68-K72 WeakPolarHBondContact NE2-CD 3.46Å; H68-K72 PolarHBondContact NE2-NZ 3.09Å; H68-K72 WeakPolarHBondContact O-CB 3.47Å; H68-K72 PolarHBondContact O-N 3.26Å; H68-Y73 AromaticContact CE1-CE2 3.91Å
69S92.2Very high91.9Very high0 Ų067.3 Ų67.30%033%0.332CS..Hα-helixtrans-67.4-40.7179-64.90000113.6S22 L65 L66 Y67 Y73S22-S69 VanDerWaalsContact OG-CB 3.24Å; S22-S69 WeakPolarHBondContact OG-CB 3.37Å; S22-S69 PolarHBondContact OG-OG 2.87Å; L65-S69 WeakPolarHBondContact O-CB 3.45Å; L65-S69 PolarHBondContact O-N 3.25Å; L65-S69 PolarHBondContact O-OG 3.12Å; L66-S69 PolarHBondContact O-N 3.01Å; L66-S69 VanDerWaalsContact O-N 3.1Å; Y67-S69 VanDerWaalsContact C-N 3.33Å; Y67-S69 PolarHBondContact O-N 3.41Å; S69-Y73 WeakPolarHBondContact O-CB 3.39Å; S69-Y73 PolarHBondContact O-N 3.46Å; S69-Y73 VanDerWaalsContact O-N 3.07Å
70F92.3Very high91.7Very high69 Ų6963.7 Ų63.730%0.30332%0.315SS..Hα-helixtrans-60.2-49.8173.6-82.1-68.5000111L66 Y67 Y74 L75 I80L66-F70 HydrophobicContact CB-CD2 4.15Å; L66-F70 HydrophobicContact CB-CE2 4.04Å; L66-F70 HydrophobicContact CD2-CE2 4.2Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 2.54Å; Y67-F70 PolarHBondContact O-N 3.32Å; F70-Y74 WeakPolarHBondContact O-CA 3.45Å; F70-Y74 PolarHBondContact O-N 2.89Å; F70-L75 WeakPolarHBondContact CD1-O 3.28Å; F70-L75 WeakPolarHBondContact CE1-O 3.42Å; F70-I80 HydrophobicContact CE1-CD1 3.8Å; F70-I80 HydrophobicContact CE2-CD1 3.7Å; F70-I80 HydrophobicContact CZ-CD1 3.25Å
71H89.5Confident91.4Very high114 Ų11467.6 Ų67.653%0.52833%0.327SS..Hα-helixtrans-76.6-36.4-174.4-83.2-73.4000114.3Y67 H68Y67-H71 AromaticContact CD1-CD2 4Å; Y67-H71 AromaticContact CD2-CD2 3.51Å; Y67-H71 AromaticContact CD2-NE2 3.7Å; Y67-H71 AromaticContact CE1-CD2 3.69Å; Y67-H71 AromaticContact CE2-CD2 3.19Å; Y67-H71 WeakPolarHBondContact CE2-CD2 3.44Å; Y67-H71 AromaticContact CE2-NE2 3.05Å; Y67-H71 WeakPolarHBondContact CE2-NE2 3.33Å; Y67-H71 AromaticContact CG-CD2 3.91Å; Y67-H71 AromaticContact CZ-CD2 3.27Å; Y67-H71 AromaticContact CZ-NE2 3.38Å; Y67-H71 WeakPolarHBondContact O-CB 3.44Å; Y67-H71 PolarHBondContact O-CD2 3.02Å; Y67-H71 VanDerWaalsContact O-CD2 3.32Å; Y67-H71 PolarHBondContact O-N 3.2Å; H68-H71 PolarHBondContact O-N 2.97Å
72K88.6Confident91.3Very high113 Ų11369.6 Ų69.649%0.49133%0.334SS..Hα-helixtrans-91.9-35.2-173.3-169.6176.3-177.2-1790113.5H68H68-K72 VanDerWaalsContact CE1-CD 3.46Å; H68-K72 WeakPolarHBondContact CE1-CD 3.42Å; H68-K72 WeakPolarHBondContact NE2-CD 3.46Å; H68-K72 PolarHBondContact NE2-NZ 3.09Å; H68-K72 WeakPolarHBondContact O-CB 3.47Å; H68-K72 PolarHBondContact O-N 3.26Å
73Y88.1Confident91.1Very high55 Ų5571.6 Ų71.622%0.21634%0.344CS..Hα-helixtrans-1135.1-173.8-54.2-59.1000113.3M18 K19 H68 S69 L75M18-Y73 HydrophobicContact CB-CD1 3.68Å; M18-Y73 HydrophobicContact CB-CE1 3.75Å; M18-Y73 HydrophobicContact CG-CD1 4.37Å; M18-Y73 HydrophobicContact CG-CE1 4.06Å; M18-Y73 HydrophobicContact SD-CE1 4.08Å; K19-Y73 VanDerWaalsContact CE-O 3.29Å; K19-Y73 WeakPolarHBondContact CE-O 3.22Å; H68-Y73 AromaticContact CE1-CE2 3.91Å; S69-Y73 WeakPolarHBondContact O-CB 3.39Å; S69-Y73 PolarHBondContact O-N 3.46Å; S69-Y73 VanDerWaalsContact O-N 3.07Å; Y73-L75 PolarHBondContact O-N 3Å; Y73-L75 VanDerWaalsContact O-N 3.12Å
74Y86.5Confident90.9Very high102 Ų10273.6 Ų73.640%0.435%0.346SS..  trans52.532.5179.9-59.1-85000113F70 T76 E88F70-Y74 WeakPolarHBondContact O-CA 3.45Å; F70-Y74 PolarHBondContact O-N 2.89Å; Y74-T76 PolarHBondContact O-N 3.16Å; Y74-E88 WeakPolarHBondContact CB-OE2 3.47Å
75L88.4Confident90.7Very high4 Ų469.7 Ų69.72%0.02133%0.331CS..  trans-67135.9179.4-140.866.8000109.1K19 L23 I26 F70 Y73 E79 I80K19-L75 HydrophobicContact CB-CD1 3.86Å; K19-L75 HydrophobicContact CD-CD1 4.03Å; K19-L75 HydrophobicContact CG-CD1 3.7Å; L23-L75 HydrophobicContact CD2-CD2 3.73Å; L23-L75 HydrophobicContact CD2-CG 4.44Å; L23-L75 HydrophobicContact CG-CD1 4.4Å; L23-L75 HydrophobicContact CG-CD2 4.03Å; I26-L75 HydrophobicContact CD1-CD2 3.87Å; F70-L75 WeakPolarHBondContact CD1-O 3.28Å; F70-L75 WeakPolarHBondContact CE1-O 3.42Å; Y73-L75 PolarHBondContact O-N 3Å; Y73-L75 VanDerWaalsContact O-N 3.12Å; L75-E79 HydrophobicContact CG-CB 4.39Å; L75-I80 HydrophobicContact CB-CD1 4.5Å; L75-I80 HydrophobicContact CD2-CD1 4.01Å; L75-I80 HydrophobicContact CD2-CG1 3.57Å; L75-I80 HydrophobicContact CG-CD1 4.42Å; L75-I80 HydrophobicContact CG-CG1 4.1Å
76T88.5Confident90.4Very high46 Ų4672.8 Ų72.828%0.28235%0.347SS..  trans-94.6155.7175.862.50000111.1Y74 H78 E79 I80Y74-T76 PolarHBondContact O-N 3.16Å; T76-H78 PolarHBondContact O-N 3.17Å; T76-E79 WeakPolarHBondContact CB-OE2 3.48Å; T76-E79 PolarHBondContact N-OE2 3.46Å; T76-E79 WeakPolarHBondContact O-CB 3.46Å; T76-E79 PolarHBondContact O-N 3.07Å; T76-E79 VanDerWaalsContact O-N 3.08Å; T76-E79 VanDerWaalsContact OG1-CG 3.28Å; T76-E79 WeakPolarHBondContact OG1-CG 3.1Å; T76-E79 PolarHBondContact OG1-N 3.29Å; T76-E79 PolarHBondContact OG1-OE2 3.48Å; T76-I80 PolarHBondContact O-N 2.77Å
77S89.5Confident90.2Very high71 Ų7173.5 Ų73.550%0.49735%0.351SS..Hα-helixtrans-58.6-32.9178.6-49.50000111.9I80 I81S77-I80 PolarHBondContact O-N 3.4Å; S77-I81 WeakPolarHBondContact O-CD1 3.2Å; S77-I81 VanDerWaalsContact O-CG1 3.22Å; S77-I81 WeakPolarHBondContact O-CG1 3.27Å; S77-I81 PolarHBondContact O-N 2.81Å
78H90.1Very high89.8Confident106 Ų10667.7 Ų67.749%0.49133%0.329SS..Hα-helixtrans-66.5-40.1177.6-159.7-79.2000112.2T76 I80 I81 E82T76-H78 PolarHBondContact O-N 3.17Å; H78-I80 VanDerWaalsContact C-N 3.33Å; H78-I80 PolarHBondContact O-N 2.87Å; H78-I81 PolarHBondContact O-N 3.32Å; H78-E82 IonicContact CE1-OE1 2.75Å; H78-E82 PolarHBondContact CE1-OE1 3.08Å; H78-E82 IonicContact CE1-OE2 3.26Å; H78-E82 PolarHBondContact CE1-OE2 2.79Å; H78-E82 IonicContact ND1-OE1 3.3Å; H78-E82 IonicContact ND1-OE2 3.14Å; H78-E82 PolarHBondContact ND1-OE2 3.48Å; H78-E82 IonicContact NE2-OE1 3.79Å; H78-E82 WeakPolarHBondContact O-CB 3.17Å; H78-E82 PolarHBondContact O-N 2.78Å
79E90.1Very high89.7Confident2 Ų264.3 Ų64.31%0.00931%0.313CS..Hα-helixtrans-63.1-40.1175.9-72.1171.3103.600111.8K19 L75 T76 N83 K84 I86K19-E79 IonicContact NZ-OE1 3.03Å; K19-E79 PolarHBondContact NZ-OE1 3.32Å; L75-E79 HydrophobicContact CG-CB 4.39Å; T76-E79 WeakPolarHBondContact CB-OE2 3.48Å; T76-E79 PolarHBondContact N-OE2 3.46Å; T76-E79 WeakPolarHBondContact O-CB 3.46Å; T76-E79 PolarHBondContact O-N 3.07Å; T76-E79 VanDerWaalsContact O-N 3.08Å; T76-E79 VanDerWaalsContact OG1-CG 3.28Å; T76-E79 WeakPolarHBondContact OG1-CG 3.1Å; T76-E79 PolarHBondContact OG1-N 3.29Å; T76-E79 PolarHBondContact OG1-OE2 3.48Å; E79-N83 VanDerWaalsContact O-CA 3.27Å; E79-N83 WeakPolarHBondContact O-CA 3.46Å; E79-N83 PolarHBondContact O-N 3.49Å; E79-K84 WeakPolarHBondContact CA-O 3.44Å; E79-K84 WeakPolarHBondContact CB-O 3.31Å; E79-K84 WeakPolarHBondContact CG-O 3.47Å; E79-K84 PolarHBondContact O-N 2.98Å; E79-K84 VanDerWaalsContact O-N 3.15Å; E79-I86 HydrophobicContact CG-CB 4.14Å; E79-I86 HydrophobicContact CG-CD1 3.83Å; E79-I86 HydrophobicContact CG-CG1 3.85Å; E79-I86 PolarHBondContact OE1-N 3.5Å
80I91Very high89.6Confident18 Ų1866.3 Ų66.39%0.09233%0.327CS..Hα-helixtrans-68.9-41.4178.6-65.5158000111.6L23 I26 L66 F70 L75 T76 S77 H78L23-I80 HydrophobicContact CD2-CB 4.49Å; L23-I80 HydrophobicContact CD2-CG1 4.1Å; I26-I80 HydrophobicContact CD1-CD1 4.48Å; I26-I80 HydrophobicContact CD1-CG1 4.26Å; I26-I80 HydrophobicContact CG2-CG2 4.16Å; L66-I80 HydrophobicContact CD2-CD1 3.84Å; L66-I80 HydrophobicContact CD2-CG2 4.1Å; F70-I80 HydrophobicContact CE1-CD1 3.8Å; F70-I80 HydrophobicContact CE2-CD1 3.7Å; F70-I80 HydrophobicContact CZ-CD1 3.25Å; L75-I80 HydrophobicContact CB-CD1 4.5Å; L75-I80 HydrophobicContact CD2-CD1 4.01Å; L75-I80 HydrophobicContact CD2-CG1 3.57Å; L75-I80 HydrophobicContact CG-CD1 4.42Å; L75-I80 HydrophobicContact CG-CG1 4.1Å; T76-I80 PolarHBondContact O-N 2.77Å; S77-I80 PolarHBondContact O-N 3.4Å; H78-I80 VanDerWaalsContact C-N 3.33Å; H78-I80 PolarHBondContact O-N 2.87Å
81I90.7Very high89.5Confident136 Ų13667.6 Ų67.670%0.69733%0.333SS*.Hα-helixtrans-68.9-46.3-179.7-69165.1000110.7S77 H78 N83S77-I81 WeakPolarHBondContact O-CD1 3.2Å; S77-I81 VanDerWaalsContact O-CG1 3.22Å; S77-I81 WeakPolarHBondContact O-CG1 3.27Å; S77-I81 PolarHBondContact O-N 2.81Å; H78-I81 PolarHBondContact O-N 3.32Å; I81-N83 VanDerWaalsContact C-N 3.31Å
82E91.5Very high89.5Confident95 Ų9563.7 Ų63.744%0.44432%0.318SS..Hα-helixtrans-83.3-7.6-177.7-64.5-163.5152.400114H78 K84H78-E82 IonicContact CE1-OE1 2.75Å; H78-E82 PolarHBondContact CE1-OE1 3.08Å; H78-E82 IonicContact CE1-OE2 3.26Å; H78-E82 PolarHBondContact CE1-OE2 2.79Å; H78-E82 IonicContact ND1-OE1 3.3Å; H78-E82 IonicContact ND1-OE2 3.14Å; H78-E82 PolarHBondContact ND1-OE2 3.48Å; H78-E82 IonicContact NE2-OE1 3.79Å; H78-E82 WeakPolarHBondContact O-CB 3.17Å; H78-E82 PolarHBondContact O-N 2.78Å; E82-K84 HydrophobicContact CB-CB 4.32Å; E82-K84 HydrophobicContact CB-CD 4.3Å; E82-K84 HydrophobicContact CB-CG 4.34Å; E82-K84 PolarHBondContact O-N 3.35Å
83N90.1Very high89.5Confident54 Ų5459.8 Ų59.829%0.28930%0.304SS..THydrogen-bonded Turntrans51.541.3-171.6-164.717.2000112.7E79 I81E79-N83 VanDerWaalsContact O-CA 3.27Å; E79-N83 WeakPolarHBondContact O-CA 3.46Å; E79-N83 PolarHBondContact O-N 3.49Å; I81-N83 VanDerWaalsContact C-N 3.31Å
84K91.3Very high89.7Confident130 Ų13057.1 Ų57.157%0.56529%0.293SS*.  trans-127.2141.1-179.8-73.2177-172.81680109.6E79 E82E79-K84 WeakPolarHBondContact CA-O 3.44Å; E79-K84 WeakPolarHBondContact CB-O 3.31Å; E79-K84 WeakPolarHBondContact CG-O 3.47Å; E79-K84 PolarHBondContact O-N 2.98Å; E79-K84 VanDerWaalsContact O-N 3.15Å; E82-K84 HydrophobicContact CB-CB 4.32Å; E82-K84 HydrophobicContact CB-CD 4.3Å; E82-K84 HydrophobicContact CB-CG 4.34Å; E82-K84 PolarHBondContact O-N 3.35Å
85T89.3Confident90Very high53 Ų5353.3 Ų53.333%0.32528%0.28SS..  trans-91.4134.4174.955.80000110.4K19 L23K19-T85 HydrophobicContact CB-CG2 3.93Å; L23-T85 HydrophobicContact CD1-CG2 3.56Å
86I88.6Confident90.1Very high91 Ų9153.3 Ų53.347%0.46728%0.28SS..  trans-104.1129.1169.5-62.4165.8000107.7K19 E79 E88K19-I86 PolarHBondContact NZ-O 3.46Å; E79-I86 HydrophobicContact CG-CB 4.14Å; E79-I86 HydrophobicContact CG-CD1 3.83Å; E79-I86 HydrophobicContact CG-CG1 3.85Å; E79-I86 PolarHBondContact OE1-N 3.5Å; I86-E88 PolarHBondContact O-N 2.82Å
87D89.2Confident90.3Very high57 Ų5751.9 Ų51.931%0.30527%0.27SS..  trans-75.8114.3177.6-61.8-37.8000110.3L12 R16L12-D87 HydrophobicContact CD1-CB 3.89Å; R16-D87 WeakPolarHBondContact CG-OD1 3.34Å; R16-D87 IonicContact CZ-OD1 3.43Å; R16-D87 IonicContact CZ-OD2 3.48Å; R16-D87 IonicContact NE-OD1 3.87Å; R16-D87 PolarHBondContact NE-OD1 3.42Å; R16-D87 IonicContact NE-OD2 2.66Å; R16-D87 PolarHBondContact NE-OD2 3.24Å; R16-D87 IonicContact NH2-OD1 3.69Å; R16-D87 IonicContact NH2-OD2 2.98Å; R16-D87 PolarHBondContact NH2-OD2 2.73Å
88E87.4Confident90.5Very high27 Ų2748.9 Ų48.913%0.12625%0.249CC..SBendtrans-77.5-36.8169.8-71.2179.2169.200111E15 K19 Y74 I86 S90 T93E15-E88 WeakPolarHBondContact OE1-CB 3.32Å; E15-E88 PolarHBondContact OE1-N 2.81Å; E15-E88 PolarHBondContact OE2-N 2.94Å; K19-E88 IonicContact NZ-OE1 3.78Å; Y74-E88 WeakPolarHBondContact CB-OE2 3.47Å; I86-E88 PolarHBondContact O-N 2.82Å; E88-S90 PolarHBondContact O-N 3.06Å; E88-T93 WeakPolarHBondContact O-CB 3.36Å; E88-T93 PolarHBondContact O-OG1 3.26Å
89W91Very high90.6Very high8 Ų845.5 Ų45.53%0.0324%0.236CC..SBendtrans-81.955.8173.7-74.8101.4000113.4F7 H8 E11 L12 E15 A94 F97 P110F7-W89 HydrophobicContact CB-CH2 4.43Å; F7-W89 HydrophobicContact CB-CZ3 3.91Å; H8-W89 PolarHBondContact CD2-O 2.68Å; E11-W89 HydrophobicContact CB-CD2 3.79Å; E11-W89 HydrophobicContact CB-CE3 4.49Å; E11-W89 HydrophobicContact CB-CG 3.86Å; E11-W89 HydrophobicContact CB-CZ2 4.24Å; E11-W89 HydrophobicContact CG-CD2 4.42Å; E11-W89 HydrophobicContact CG-CZ2 4Å; L12-W89 HydrophobicContact CB-CB 4.14Å; L12-W89 HydrophobicContact CD1-CB 4.23Å; E15-W89 WeakPolarHBondContact OE2-CB 3.12Å; E15-W89 VanDerWaalsContact OE2-CD1 3.25Å; E15-W89 PolarHBondContact OE2-N 3.2Å; W89-A94 HydrophobicContact CE3-CB 4.16Å; W89-A94 HydrophobicContact CZ3-CB 4.35Å; W89-F97 HydrophobicContact CH2-CB 4.3Å; W89-F97 AromaticContact CH2-CD1 3.7Å; W89-F97 HydrophobicContact CH2-CD1 3.7Å; W89-F97 HydrophobicContact CH2-CD2 4.07Å; W89-F97 HydrophobicContact CH2-CE1 4.01Å; W89-F97 HydrophobicContact CH2-CE2 4.36Å; W89-F97 AromaticContact CH2-CG 3.73Å; W89-F97 HydrophobicContact CH2-CG 3.73Å; W89-F97 HydrophobicContact CH2-CZ 4.34Å; W89-F97 HydrophobicContact CZ3-CB 4.08Å; W89-F97 AromaticContact CZ3-CD1 3.89Å; W89-F97 HydrophobicContact CZ3-CD1 3.89Å; W89-F97 AromaticContact CZ3-CG 3.95Å; W89-F97 HydrophobicContact CZ3-CG 3.95Å; W89-P110 HydrophobicContact CD2-CB 4.07Å; W89-P110 HydrophobicContact CD2-CG 4.17Å; W89-P110 HydrophobicContact CE3-CG 4.13Å; W89-P110 HydrophobicContact CH2-CB 4.26Å; W89-P110 HydrophobicContact CH2-CG 4.13Å; W89-P110 HydrophobicContact CZ2-CB 3.79Å; W89-P110 HydrophobicContact CZ2-CG 4.16Å; W89-P110 HydrophobicContact CZ3-CG 4.11Å
90S90Very high90.7Very high41 Ų4145.7 Ų45.729%0.28724%0.237SC..  trans-65.3158164.780.90000111.6E88 S92 T93 A94E88-S90 PolarHBondContact O-N 3.06Å; S90-S92 PolarHBondContact O-N 3.41Å; S90-T93 WeakPolarHBondContact CA-OG1 3.33Å; S90-T93 PolarHBondContact N-OG1 3.43Å; S90-T93 PolarHBondContact O-N 3.24Å; S90-T93 PolarHBondContact O-OG1 3.43Å; S90-T93 WeakPolarHBondContact OG-CB 3.12Å; S90-T93 WeakPolarHBondContact OG-CG2 3.25Å; S90-T93 PolarHBondContact OG-N 3.41Å; S90-T93 VanDerWaalsContact OG-N 3.07Å; S90-T93 PolarHBondContact OG-OG1 2.86Å; S90-A94 WeakPolarHBondContact O-CB 3.37Å; S90-A94 PolarHBondContact O-N 3.18Å
91F89.6Confident90.9Very high96 Ų9646 Ų4642%0.42124%0.239SC..Hα-helixtrans-60.1-35.6176.7-177.2-109.9000112.5M1 A5 H8 A94 I95M1-F91 HydrophobicContact CE-CE1 4.04Å; M1-F91 HydrophobicContact CE-CZ 3.87Å; A5-F91 HydrophobicContact CB-CE2 4.35Å; H8-F91 PolarHBondContact CD2-N 2.86Å; H8-F91 VanDerWaalsContact CD2-N 3.34Å; F91-A94 PolarHBondContact O-N 3.06Å; F91-I95 HydrophobicContact CD1-CD1 3.97Å; F91-I95 HydrophobicContact CE1-CD1 3.61Å; F91-I95 HydrophobicContact CE1-CG1 4.43Å; F91-I95 HydrophobicContact CZ-CD1 4.05Å; F91-I95 HydrophobicContact CZ-CG1 4.48Å; F91-I95 WeakPolarHBondContact O-CG1 3.46Å; F91-I95 PolarHBondContact O-N 3.32Å; F91-I95 VanDerWaalsContact O-N 3.11Å
92S89.1Confident91Very high33 Ų3340.1 Ų40.123%0.23121%0.21CC..Hα-helixtrans-65.2-47.9177.8-171.90000111.8S90 A94 I95 F96 M256S90-S92 PolarHBondContact O-N 3.41Å; S92-A94 VanDerWaalsContact C-N 3.32Å; S92-A94 PolarHBondContact O-N 3.45Å; S92-I95 PolarHBondContact O-N 3.21Å; S92-F96 PolarHBondContact O-N 3.41Å; S92-F96 VanDerWaalsContact O-N 3.09Å; S92-M256 VanDerWaalsContact OG-CB 3.26Å; S92-M256 WeakPolarHBondContact OG-CB 3.27Å; S92-M256 WeakPolarHBondContact OG-CG 3.33Å
93T89.7Confident91Very high30 Ų3036.1 Ų36.118%0.18419%0.192CC..Hα-helixtrans-69.1-30.1176.852.20000111.8E88 S90 I95 F96 F97E88-T93 WeakPolarHBondContact O-CB 3.36Å; E88-T93 PolarHBondContact O-OG1 3.26Å; S90-T93 WeakPolarHBondContact CA-OG1 3.33Å; S90-T93 PolarHBondContact N-OG1 3.43Å; S90-T93 PolarHBondContact O-N 3.24Å; S90-T93 PolarHBondContact O-OG1 3.43Å; S90-T93 WeakPolarHBondContact OG-CB 3.12Å; S90-T93 WeakPolarHBondContact OG-CG2 3.25Å; S90-T93 PolarHBondContact OG-N 3.41Å; S90-T93 VanDerWaalsContact OG-N 3.07Å; S90-T93 PolarHBondContact OG-OG1 2.86Å; T93-I95 VanDerWaalsContact C-N 3.34Å; T93-I95 PolarHBondContact O-N 2.86Å; T93-F96 VanDerWaalsContact O-CB 3.25Å; T93-F96 WeakPolarHBondContact O-CB 3.19Å; T93-F96 PolarHBondContact O-N 2.96Å; T93-F97 WeakPolarHBondContact O-CB 3.49Å; T93-F97 PolarHBondContact O-N 3.45Å
94A92.7Very high91.2Very high0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-65.8-35.1171.800000112.6A4 H8 W89 S90 F91 S92 A98A4-A94 HydrophobicContact CB-CB 4.23Å; A4-A94 WeakPolarHBondContact CB-O 3.37Å; H8-A94 HydrophobicContact CB-CB 3.97Å; W89-A94 HydrophobicContact CE3-CB 4.16Å; W89-A94 HydrophobicContact CZ3-CB 4.35Å; S90-A94 WeakPolarHBondContact O-CB 3.37Å; S90-A94 PolarHBondContact O-N 3.18Å; F91-A94 PolarHBondContact O-N 3.06Å; S92-A94 VanDerWaalsContact C-N 3.32Å; S92-A94 PolarHBondContact O-N 3.45Å; A94-A98 WeakPolarHBondContact O-CB 3.48Å; A94-A98 PolarHBondContact O-N 2.95Å
95I91.9Very high91.3Very high22 Ų2231.3 Ų31.311%0.11318%0.175CC..Hα-helixtrans-66.8-44.6172.5-64.4164.4000110.2M1 A4 F91 S92 T93 F97 A98 V99 L260M1-I95 HydrophobicContact CE-CD1 3.66Å; M1-I95 HydrophobicContact CE-CG1 4.35Å; M1-I95 HydrophobicContact SD-CD1 3.65Å; M1-I95 HydrophobicContact SD-CG1 3.86Å; M1-I95 HydrophobicContact SD-CG2 4.22Å; A4-I95 HydrophobicContact CB-CB 4.19Å; A4-I95 HydrophobicContact CB-CG1 3.6Å; F91-I95 HydrophobicContact CD1-CD1 3.97Å; F91-I95 HydrophobicContact CE1-CD1 3.61Å; F91-I95 HydrophobicContact CE1-CG1 4.43Å; F91-I95 HydrophobicContact CZ-CD1 4.05Å; F91-I95 HydrophobicContact CZ-CG1 4.48Å; F91-I95 WeakPolarHBondContact O-CG1 3.46Å; F91-I95 PolarHBondContact O-N 3.32Å; F91-I95 VanDerWaalsContact O-N 3.11Å; S92-I95 PolarHBondContact O-N 3.21Å; T93-I95 VanDerWaalsContact C-N 3.34Å; T93-I95 PolarHBondContact O-N 2.86Å; I95-F97 VanDerWaalsContact C-N 3.32Å; I95-F97 PolarHBondContact O-N 3.46Å; I95-A98 PolarHBondContact O-N 3.44Å; I95-V99 HydrophobicContact CG2-CG2 4.46Å; I95-V99 WeakPolarHBondContact O-CG2 3.33Å; I95-V99 PolarHBondContact O-N 3.06Å; I95-L260 HydrophobicContact CB-CD1 4.46Å; I95-L260 HydrophobicContact CG2-CD1 3.46Å; I95-L260 VanDerWaalsContact CG2-CD1 3.46Å; I95-L260 HydrophobicContact CG2-CD2 4.46Å
96F91.2Very high91.5Very high4 Ų431 Ų312%0.01818%0.183CC..Hα-helixtrans-54.5-49.6174.1-164.2-112.6000112.4S92 T93 A98 V99 T100 F107 I249 P250 M256 I259 L260 I263S92-F96 PolarHBondContact O-N 3.41Å; S92-F96 VanDerWaalsContact O-N 3.09Å; T93-F96 VanDerWaalsContact O-CB 3.25Å; T93-F96 WeakPolarHBondContact O-CB 3.19Å; T93-F96 PolarHBondContact O-N 2.96Å; F96-A98 PolarHBondContact O-N 2.83Å; F96-V99 PolarHBondContact O-N 3.49Å; F96-T100 HydrophobicContact CD1-CG2 4.13Å; F96-T100 HydrophobicContact CD2-CG2 4.47Å; F96-T100 HydrophobicContact CE1-CG2 3.95Å; F96-T100 HydrophobicContact CE2-CG2 4.32Å; F96-T100 HydrophobicContact CG-CG2 4.4Å; F96-T100 HydrophobicContact CZ-CG2 4.07Å; F96-T100 WeakPolarHBondContact O-CB 3.17Å; F96-T100 WeakPolarHBondContact O-CG2 3.5Å; F96-T100 PolarHBondContact O-N 3.2Å; F96-T100 PolarHBondContact O-OG1 3.33Å; F96-F107 HydrophobicContact CD1-CD2 4.48Å; F96-F107 AromaticContact CE1-CD2 3.38Å; F96-F107 HydrophobicContact CE1-CD2 3.38Å; F96-F107 AromaticContact CE1-CE2 3.62Å; F96-F107 HydrophobicContact CE1-CE2 3.62Å; F96-F107 HydrophobicContact CE1-CG 4.43Å; F96-F107 HydrophobicContact CE2-CE2 4.32Å; F96-F107 AromaticContact CZ-CD2 3.62Å; F96-F107 HydrophobicContact CZ-CD2 3.62Å; F96-F107 AromaticContact CZ-CE2 3.3Å; F96-F107 HydrophobicContact CZ-CE2 3.3Å; F96-F107 HydrophobicContact CZ-CZ 4.26Å; F96-I249 HydrophobicContact CD1-CG2 4.31Å; F96-I249 HydrophobicContact CE1-CG2 3.58Å; F96-I249 HydrophobicContact CZ-CG2 4.06Å; F96-P250 HydrophobicContact CE2-CG 4.03Å; F96-P250 HydrophobicContact CZ-CG 4.09Å; F96-M256 HydrophobicContact CB-CE 3.24Å; F96-M256 HydrophobicContact CD2-CE 3.31Å; F96-M256 HydrophobicContact CE2-CE 4.28Å; F96-M256 HydrophobicContact CG-CE 3.45Å; F96-M256 VanDerWaalsContact CG-CE 3.45Å; F96-I259 HydrophobicContact CE2-CG2 4.3Å; F96-L260 HydrophobicContact CD2-CD2 4.15Å; F96-I263 HydrophobicContact CD2-CD1 4.33Å; F96-I263 HydrophobicContact CE2-CD1 3.57Å; F96-I263 HydrophobicContact CZ-CD1 4.32Å
97F92.7Very high91.6Very high16 Ų1627.2 Ų27.27%0.0716%0.163CC..Hα-helixtrans-57.8-49.7177.2174.6-100.5000110.7F7 W89 T93 I95 V99 T100 V101 P110 P112F7-F97 HydrophobicContact CD1-CD1 4.47Å; F7-F97 AromaticContact CD1-CE1 3.92Å; F7-F97 HydrophobicContact CD1-CE1 3.92Å; F7-F97 AromaticContact CD2-CD1 3.82Å; F7-F97 HydrophobicContact CD2-CD1 3.82Å; F7-F97 AromaticContact CD2-CE1 3.82Å; F7-F97 HydrophobicContact CD2-CE1 3.82Å; F7-F97 AromaticContact CE1-CE1 3.85Å; F7-F97 HydrophobicContact CE1-CE1 3.85Å; F7-F97 HydrophobicContact CE2-CD1 4.11Å; F7-F97 AromaticContact CE2-CE1 3.76Å; F7-F97 HydrophobicContact CE2-CE1 3.76Å; F7-F97 HydrophobicContact CG-CD1 4.05Å; F7-F97 AromaticContact CG-CE1 3.93Å; F7-F97 HydrophobicContact CG-CE1 3.93Å; F7-F97 AromaticContact CZ-CE1 3.78Å; F7-F97 HydrophobicContact CZ-CE1 3.78Å; W89-F97 HydrophobicContact CH2-CB 4.3Å; W89-F97 AromaticContact CH2-CD1 3.7Å; W89-F97 HydrophobicContact CH2-CD1 3.7Å; W89-F97 HydrophobicContact CH2-CD2 4.07Å; W89-F97 HydrophobicContact CH2-CE1 4.01Å; W89-F97 HydrophobicContact CH2-CE2 4.36Å; W89-F97 AromaticContact CH2-CG 3.73Å; W89-F97 HydrophobicContact CH2-CG 3.73Å; W89-F97 HydrophobicContact CH2-CZ 4.34Å; W89-F97 HydrophobicContact CZ3-CB 4.08Å; W89-F97 AromaticContact CZ3-CD1 3.89Å; W89-F97 HydrophobicContact CZ3-CD1 3.89Å; W89-F97 AromaticContact CZ3-CG 3.95Å; W89-F97 HydrophobicContact CZ3-CG 3.95Å; T93-F97 WeakPolarHBondContact O-CB 3.49Å; T93-F97 PolarHBondContact O-N 3.45Å; I95-F97 VanDerWaalsContact C-N 3.32Å; I95-F97 PolarHBondContact O-N 3.46Å; F97-V99 VanDerWaalsContact C-N 3.31Å; F97-V99 PolarHBondContact O-N 3.38Å; F97-T100 WeakPolarHBondContact CA-OG1 3.28Å; F97-T100 PolarHBondContact O-N 2.97Å; F97-T100 PolarHBondContact O-OG1 2.98Å; F97-V101 HydrophobicContact CD1-CG2 4.3Å; F97-V101 HydrophobicContact CD2-CG2 4.13Å; F97-V101 HydrophobicContact CE1-CG2 3.84Å; F97-V101 HydrophobicContact CE2-CG2 3.65Å; F97-V101 HydrophobicContact CG-CG2 4.42Å; F97-V101 HydrophobicContact CZ-CG2 3.48Å; F97-V101 VanDerWaalsContact CZ-CG2 3.48Å; F97-V101 VanDerWaalsContact O-CG2 3.28Å; F97-V101 WeakPolarHBondContact O-CG2 3.28Å; F97-V101 PolarHBondContact O-N 3.38Å; F97-P110 WeakPolarHBondContact CD2-O 3.39Å; F97-P112 VanDerWaalsContact CZ-CD 3.48Å; F97-P112 HydrophobicContact CZ-CG 4.04Å
98A93.4Very high91.5Very high7 Ų726.7 Ų26.76%0.05817%0.17CC..Hα-helixtrans-60.5-39.7179.400000112.8A4 A94 I95 F96 V102 F124A4-A98 HydrophobicContact CB-CB 4.11Å; A94-A98 WeakPolarHBondContact O-CB 3.48Å; A94-A98 PolarHBondContact O-N 2.95Å; I95-A98 PolarHBondContact O-N 3.44Å; F96-A98 PolarHBondContact O-N 2.83Å; A98-V102 WeakPolarHBondContact O-CG2 3.39Å; A98-V102 PolarHBondContact O-N 3.04Å; A98-F124 HydrophobicContact CB-CE1 4.05Å; A98-F124 HydrophobicContact CB-CZ 4.04Å; A98-F124 WeakPolarHBondContact O-CE1 3.37Å
99V92.3Very high91.3Very high36 Ų3627.6 Ų27.622%0.21818%0.176CC..Hα-helixtrans-66.7-51.1175.6171.30000110.1I95 F96 F97 V101 V102 T103 L260 I263I95-V99 HydrophobicContact CG2-CG2 4.46Å; I95-V99 WeakPolarHBondContact O-CG2 3.33Å; I95-V99 PolarHBondContact O-N 3.06Å; F96-V99 PolarHBondContact O-N 3.49Å; F97-V99 VanDerWaalsContact C-N 3.31Å; F97-V99 PolarHBondContact O-N 3.38Å; V99-V101 VanDerWaalsContact C-N 3.3Å; V99-V101 PolarHBondContact O-N 3.19Å; V99-V102 PolarHBondContact O-N 2.98Å; V99-V102 VanDerWaalsContact O-N 3.11Å; V99-T103 HydrophobicContact CG1-CG2 3.91Å; V99-T103 WeakPolarHBondContact O-CB 3.5Å; V99-T103 VanDerWaalsContact O-CG2 3.26Å; V99-T103 WeakPolarHBondContact O-CG2 3.35Å; V99-T103 PolarHBondContact O-N 3.37Å; V99-T103 PolarHBondContact O-OG1 3.24Å; V99-L260 HydrophobicContact CB-CD2 4.11Å; V99-L260 HydrophobicContact CG1-CD2 4.32Å; V99-L260 HydrophobicContact CG2-CD2 3.99Å; V99-I263 HydrophobicContact CG1-CG2 4.44Å
100T92.7Very high91.1Very high5 Ų527.7 Ų27.73%0.03118%0.178CC..Hα-helixtrans-64.8-28.9-175.655.30000114.1F96 F97 T103 T104 I105 G106 F107F96-T100 HydrophobicContact CD1-CG2 4.13Å; F96-T100 HydrophobicContact CD2-CG2 4.47Å; F96-T100 HydrophobicContact CE1-CG2 3.95Å; F96-T100 HydrophobicContact CE2-CG2 4.32Å; F96-T100 HydrophobicContact CG-CG2 4.4Å; F96-T100 HydrophobicContact CZ-CG2 4.07Å; F96-T100 WeakPolarHBondContact O-CB 3.17Å; F96-T100 WeakPolarHBondContact O-CG2 3.5Å; F96-T100 PolarHBondContact O-N 3.2Å; F96-T100 PolarHBondContact O-OG1 3.33Å; F97-T100 WeakPolarHBondContact CA-OG1 3.28Å; F97-T100 PolarHBondContact O-N 2.97Å; F97-T100 PolarHBondContact O-OG1 2.98Å; T100-T103 WeakPolarHBondContact CA-OG1 3.39Å; T100-T103 PolarHBondContact O-OG1 2.94Å; T100-T104 PolarHBondContact O-N 3.2Å; T100-I105 PolarHBondContact O-N 2.83Å; T100-G106 PolarHBondContact O-N 3.47Å; T100-G106 VanDerWaalsContact O-N 3.11Å; T100-F107 HydrophobicContact CG2-CD2 3.64Å; T100-F107 HydrophobicContact CG2-CE2 3.59Å
101V94.1Very high91.2Very high24 Ų2427.3 Ų27.315%0.14518%0.178CC..Hα-helixtrans-66.5-50.1171.3167.30000110.8F97 V99 T104 F124 A125F97-V101 HydrophobicContact CD1-CG2 4.3Å; F97-V101 HydrophobicContact CD2-CG2 4.13Å; F97-V101 HydrophobicContact CE1-CG2 3.84Å; F97-V101 HydrophobicContact CE2-CG2 3.65Å; F97-V101 HydrophobicContact CG-CG2 4.42Å; F97-V101 HydrophobicContact CZ-CG2 3.48Å; F97-V101 VanDerWaalsContact CZ-CG2 3.48Å; F97-V101 VanDerWaalsContact O-CG2 3.28Å; F97-V101 WeakPolarHBondContact O-CG2 3.28Å; F97-V101 PolarHBondContact O-N 3.38Å; V99-V101 VanDerWaalsContact C-N 3.3Å; V99-V101 PolarHBondContact O-N 3.19Å; V101-T104 PolarHBondContact O-N 2.65Å; V101-F124 HydrophobicContact CB-CE1 4.49Å; V101-F124 HydrophobicContact CG1-CD1 4.07Å; V101-F124 HydrophobicContact CG1-CE1 4.34Å; V101-A125 HydrophobicContact CG1-CB 4.11Å
102V93.8Very high91.3Very high13 Ų1323.5 Ų23.58%0.07916%0.162CC..Hα-helixtrans-72.9-33.7-174.2171.20000111.3A98 V99 T104 F124 G128 T132A98-V102 WeakPolarHBondContact O-CG2 3.39Å; A98-V102 PolarHBondContact O-N 3.04Å; V99-V102 PolarHBondContact O-N 2.98Å; V99-V102 VanDerWaalsContact O-N 3.11Å; V102-T104 PolarHBondContact O-N 3.03Å; V102-F124 HydrophobicContact CG2-CD1 4.01Å; V102-F124 HydrophobicContact CG2-CE1 3.24Å; V102-F124 HydrophobicContact CG2-CE2 4.26Å; V102-F124 HydrophobicContact CG2-CZ 3.38Å; V102-G128 WeakPolarHBondContact CG1-O 3.41Å; V102-T132 HydrophobicContact CB-CG2 4.44Å; V102-T132 HydrophobicContact CG1-CG2 3.04Å; V102-T132 WeakPolarHBondContact CG1-OG1 3.42Å; V102-T132 PolarHBondContact O-OG1 3.36Å; V102-T132 VanDerWaalsContact O-OG1 3.05Å
103T91.9Very high91.4Very high12 Ų1224.7 Ų24.77%0.07417%0.168CC..THydrogen-bonded Turntrans-82.46.7174.264.30000113.6V99 T100 I105 L267V99-T103 HydrophobicContact CG1-CG2 3.91Å; V99-T103 WeakPolarHBondContact O-CB 3.5Å; V99-T103 VanDerWaalsContact O-CG2 3.26Å; V99-T103 WeakPolarHBondContact O-CG2 3.35Å; V99-T103 PolarHBondContact O-N 3.37Å; V99-T103 PolarHBondContact O-OG1 3.24Å; T100-T103 WeakPolarHBondContact CA-OG1 3.39Å; T100-T103 PolarHBondContact O-OG1 2.94Å; T103-I105 PolarHBondContact O-N 2.87Å; T103-I105 VanDerWaalsContact OG1-CD1 3.29Å; T103-I105 WeakPolarHBondContact OG1-CD1 3.31Å; T103-I105 WeakPolarHBondContact OG1-CG1 3.49Å; T103-L267 HydrophobicContact CG2-CD1 3.2Å
104T93.5Very high91.6Very high74 Ų7424.2 Ų24.245%0.45417%0.165SC..THydrogen-bonded Turntrans5624.4178.264.80000115.1T100 V101 V102 I129T100-T104 PolarHBondContact O-N 3.2Å; V101-T104 PolarHBondContact O-N 2.65Å; V102-T104 PolarHBondContact O-N 3.03Å; T104-I129 HydrophobicContact CG2-CD1 4.06Å; T104-I129 HydrophobicContact CG2-CG1 4.06Å; T104-I129 HydrophobicContact CG2-CG2 3.88Å
105I93.6Very high91.7Very high8 Ų831.4 Ų31.44%0.04120%0.203CC..  trans-81.3-53.2177.4-61.3168.3000109.7T100 T103 F107 T239 T242 I263 L267T100-I105 PolarHBondContact O-N 2.83Å; T103-I105 PolarHBondContact O-N 2.87Å; T103-I105 VanDerWaalsContact OG1-CD1 3.29Å; T103-I105 WeakPolarHBondContact OG1-CD1 3.31Å; T103-I105 WeakPolarHBondContact OG1-CG1 3.49Å; I105-F107 HydrophobicContact CG2-CD1 4.3Å; I105-F107 HydrophobicContact CG2-CD2 4.17Å; I105-F107 HydrophobicContact CG2-CE1 3.9Å; I105-F107 HydrophobicContact CG2-CE2 3.72Å; I105-F107 HydrophobicContact CG2-CG 4.46Å; I105-F107 HydrophobicContact CG2-CZ 3.6Å; I105-T239 HydrophobicContact CD1-CG2 4Å; I105-T242 HydrophobicContact CG1-CG2 4.08Å; I105-I263 HydrophobicContact CD1-CG2 3.63Å; I105-L267 HydrophobicContact CD1-CD1 4.46Å
106G92.5Very high91.8Very high47 Ų4734.6 Ų34.649%0.48522%0.223SC..  trans57.66717100000117T100 G108T100-G106 PolarHBondContact O-N 3.47Å; T100-G106 VanDerWaalsContact O-N 3.11Å; G106-G108 PolarHBondContact O-N 3.42Å
107F91.2Very high92Very high12 Ų1234.4 Ų34.45%0.05322%0.222CC..  trans-64.9-18.4176.8-62.3-69.4000115.6F96 T100 I105 N109 F235 T239 G244 G246 I249F96-F107 HydrophobicContact CD1-CD2 4.48Å; F96-F107 AromaticContact CE1-CD2 3.38Å; F96-F107 HydrophobicContact CE1-CD2 3.38Å; F96-F107 AromaticContact CE1-CE2 3.62Å; F96-F107 HydrophobicContact CE1-CE2 3.62Å; F96-F107 HydrophobicContact CE1-CG 4.43Å; F96-F107 HydrophobicContact CE2-CE2 4.32Å; F96-F107 AromaticContact CZ-CD2 3.62Å; F96-F107 HydrophobicContact CZ-CD2 3.62Å; F96-F107 AromaticContact CZ-CE2 3.3Å; F96-F107 HydrophobicContact CZ-CE2 3.3Å; F96-F107 HydrophobicContact CZ-CZ 4.26Å; T100-F107 HydrophobicContact CG2-CD2 3.64Å; T100-F107 HydrophobicContact CG2-CE2 3.59Å; I105-F107 HydrophobicContact CG2-CD1 4.3Å; I105-F107 HydrophobicContact CG2-CD2 4.17Å; I105-F107 HydrophobicContact CG2-CE1 3.9Å; I105-F107 HydrophobicContact CG2-CE2 3.72Å; I105-F107 HydrophobicContact CG2-CG 4.46Å; I105-F107 HydrophobicContact CG2-CZ 3.6Å; F107-N109 VanDerWaalsContact C-N 3.26Å; F107-N109 PolarHBondContact O-N 2.95Å; F107-F235 AromaticContact CE1-CE2 3.92Å; F107-F235 HydrophobicContact CE1-CE2 3.92Å; F107-F235 AromaticContact CZ-CE2 3.74Å; F107-F235 HydrophobicContact CZ-CE2 3.74Å; F107-F235 HydrophobicContact CZ-CZ 4.19Å; F107-T239 HydrophobicContact CZ-CG2 4.02Å; F107-T239 WeakPolarHBondContact CZ-OG1 3.36Å; F107-G244 WeakPolarHBondContact CA-O 3.45Å; F107-G246 WeakPolarHBondContact O-CA 3.4Å; F107-I249 HydrophobicContact CB-CD1 3.62Å; F107-I249 HydrophobicContact CB-CG1 4.09Å; F107-I249 HydrophobicContact CD1-CG1 4.42Å; F107-I249 HydrophobicContact CG-CD1 4.26Å; F107-I249 HydrophobicContact CG-CG1 4.2Å
108G87.2Confident92.2Very high45 Ų4540.3 Ų40.346%0.46424%0.244SC..  trans75.32.7178.400000116.2G106 A111G106-G108 PolarHBondContact O-N 3.42Å; G108-A111 WeakPolarHBondContact O-CB 3.43Å
109N84Confident92.4Very high46 Ų4642.4 Ų42.425%0.24626%0.261CS..SBendtrans-138.8106.1175.4-174.7-9.5000111F107 I249F107-N109 VanDerWaalsContact C-N 3.26Å; F107-N109 PolarHBondContact O-N 2.95Å; N109-I249 HydrophobicContact CB-CD1 3.67Å; N109-I249 VanDerWaalsContact O-CD1 3.23Å; N109-I249 WeakPolarHBondContact O-CD1 3.49Å
110P86.5Confident92.5Very high10 Ų1042.5 Ų42.57%0.06526%0.262CS..SBendcis-79.3160.2233.4-36.2000113.2W89 F97W89-P110 HydrophobicContact CD2-CB 4.07Å; W89-P110 HydrophobicContact CD2-CG 4.17Å; W89-P110 HydrophobicContact CE3-CG 4.13Å; W89-P110 HydrophobicContact CH2-CB 4.26Å; W89-P110 HydrophobicContact CH2-CG 4.13Å; W89-P110 HydrophobicContact CZ2-CB 3.79Å; W89-P110 HydrophobicContact CZ2-CG 4.16Å; W89-P110 HydrophobicContact CZ3-CG 4.11Å; F97-P110 WeakPolarHBondContact CD2-O 3.39Å
111A90.7Very high92.7Very high34 Ų3443.4 Ų43.428%0.28127%0.268SS..  trans-134.8145.8174.700000111.3G108 V113G108-A111 WeakPolarHBondContact O-CB 3.43Å; A111-V113 PolarHBondContact O-N 2.77Å
112P92.7Very high92.8Very high16 Ų1647.9 Ų47.910%0.10429%0.29CS..  trans-70.2122.7-175.426.6-33.6000111.2E11 F97 R118 C121E11-P112 HydrophobicContact CG-CB 4.4Å; F97-P112 VanDerWaalsContact CZ-CD 3.48Å; F97-P112 HydrophobicContact CZ-CG 4.04Å; P112-R118 HydrophobicContact CB-CG 4.37Å; P112-R118 HydrophobicContact CG-CG 4.33Å; P112-R118 WeakPolarHBondContact O-CG 3.28Å; P112-R118 PolarHBondContact O-NE 3.4Å; P112-R118 VanDerWaalsContact O-NE 3.1Å; P112-C121 HydrophobicContact CG-CB 4.2Å
113V90.6Very high92.9Very high58 Ų5850.9 Ų50.935%0.35231%0.311SS..  trans-95.9-27.7179-63.90000111.5E11 A111E11-V113 WeakPolarHBondContact OE2-CG2 3.02Å; E11-V113 PolarHBondContact OE2-N 2.99Å; E11-V113 VanDerWaalsContact OE2-N 3.12Å; A111-V113 PolarHBondContact O-N 2.77Å
114T93.5Very high93Very high20 Ų2053 Ų5312%0.12332%0.319CS..SBendtrans-73.4148.6-179.374.60000111.8E11 H14 T116 G117 R118E11-T114 WeakPolarHBondContact OE1-CB 3.27Å; E11-T114 WeakPolarHBondContact OE1-CG2 3.42Å; E11-T114 PolarHBondContact OE1-N 3.29Å; E11-T114 PolarHBondContact OE1-OG1 3.39Å; H14-T114 HydrophobicContact CB-CG2 3.77Å; H14-T114 VanDerWaalsContact CD2-CG2 3.42Å; H14-T114 WeakPolarHBondContact CD2-CG2 3.48Å; H14-T114 VanDerWaalsContact CG-CG2 3.45Å; T114-T116 VanDerWaalsContact C-N 3.29Å; T114-T116 PolarHBondContact O-N 3.26Å; T114-G117 PolarHBondContact O-N 3.34Å; T114-G117 WeakPolarHBondContact OG1-CA 3.19Å; T114-G117 PolarHBondContact OG1-N 3.47Å; T114-R118 VanDerWaalsContact O-CG 3.31Å; T114-R118 WeakPolarHBondContact O-CG 3.43Å; T114-R118 PolarHBondContact O-N 3.13Å
115L95.3Very high93.1Very high151 Ų15150.5 Ų50.579%0.79131%0.306SS*.Hα-helixtrans-57.9-44174.8-179.464.4000111.3R118 A119L115-R118 PolarHBondContact O-N 3.37Å; L115-A119 PolarHBondContact O-N 2.92Å
116T95.5Very high93.2Very high88 Ų8855.7 Ų55.754%0.5433%0.333SS..Hα-helixtrans-64.3-45.2178.2-500000111.6I10 T114 R118 A119 V120I10-T116 HydrophobicContact CD1-CG2 4.2Å; T114-T116 VanDerWaalsContact C-N 3.29Å; T114-T116 PolarHBondContact O-N 3.26Å; T116-R118 VanDerWaalsContact C-N 3.34Å; T116-R118 PolarHBondContact O-N 3.35Å; T116-A119 PolarHBondContact O-N 3.43Å; T116-V120 WeakPolarHBondContact O-CG2 3.26Å; T116-V120 PolarHBondContact O-N 3.03Å
117G95.3Very high93.3Very high0 Ų060.9 Ų60.90%034%0.343CS..Hα-helixtrans-62.1-40.2177.100000112.4E11 T114 V120 C121E11-G117 WeakPolarHBondContact OE1-CA 3.3Å; T114-G117 PolarHBondContact O-N 3.34Å; T114-G117 WeakPolarHBondContact OG1-CA 3.19Å; T114-G117 PolarHBondContact OG1-N 3.47Å; G117-V120 PolarHBondContact O-N 3.34Å; G117-C121 WeakPolarHBondContact O-CB 3.1Å; G117-C121 PolarHBondContact O-N 3.36Å
118R96.2Very high93.5Very high141 Ų14160.8 Ų60.853%0.53235%0.345SS..Hα-helixtrans-63.6-43.6173.5-70.4174.4-179-1741.8112.2P112 T114 L115 T116 C121 I122P112-R118 HydrophobicContact CB-CG 4.37Å; P112-R118 HydrophobicContact CG-CG 4.33Å; P112-R118 WeakPolarHBondContact O-CG 3.28Å; P112-R118 PolarHBondContact O-NE 3.4Å; P112-R118 VanDerWaalsContact O-NE 3.1Å; T114-R118 VanDerWaalsContact O-CG 3.31Å; T114-R118 WeakPolarHBondContact O-CG 3.43Å; T114-R118 PolarHBondContact O-N 3.13Å; L115-R118 PolarHBondContact O-N 3.37Å; T116-R118 VanDerWaalsContact C-N 3.34Å; T116-R118 PolarHBondContact O-N 3.35Å; R118-C121 WeakPolarHBondContact O-CB 3.31Å; R118-C121 PolarHBondContact O-N 3.13Å; R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 3.12Å
119A96.7Very high93.8Very high50 Ų5061 Ų6141%0.41334%0.335SS..Hα-helixtrans-62.9-44.6175.700000112.2L115 T116 C121 I122 C123L115-A119 PolarHBondContact O-N 2.92Å; T116-A119 PolarHBondContact O-N 3.43Å; A119-C121 VanDerWaalsContact C-N 3.29Å; A119-C121 PolarHBondContact O-N 3.12Å; A119-I122 PolarHBondContact O-N 2.99Å; A119-C123 PolarHBondContact O-N 2.79Å; A119-C123 VanDerWaalsContact O-N 3.09Å
120V95.6Very high94.4Very high39 Ų3962.1 Ų62.124%0.23635%0.345CS..Hα-helixtrans-61.3-39.6174.4170.70000111I6 F7 I10 T116 G117 C123 F124I6-V120 HydrophobicContact CG2-CG1 3.81Å; I6-V120 HydrophobicContact CG2-CG2 4.49Å; F7-V120 HydrophobicContact CE1-CB 4.3Å; F7-V120 HydrophobicContact CE1-CG1 3.87Å; F7-V120 HydrophobicContact CZ-CG1 3.95Å; I10-V120 HydrophobicContact CD1-CG2 4.02Å; T116-V120 WeakPolarHBondContact O-CG2 3.26Å; T116-V120 PolarHBondContact O-N 3.03Å; G117-V120 PolarHBondContact O-N 3.34Å; V120-C123 PolarHBondContact O-N 3.49Å; V120-F124 WeakPolarHBondContact O-CB 3.34Å; V120-F124 PolarHBondContact O-N 2.9Å
121C95.9Very high94.8Very high24 Ų2467.1 Ų67.116%0.16237%0.37CS..Hα-helixtrans-60.9-43.1175.4-169.20000112.5F7 P112 G117 R118 A119 F124 A125F7-C121 HydrophobicContact CE1-CB 3.97Å; F7-C121 HydrophobicContact CZ-CB 4.08Å; P112-C121 HydrophobicContact CG-CB 4.2Å; G117-C121 WeakPolarHBondContact O-CB 3.1Å; G117-C121 PolarHBondContact O-N 3.36Å; R118-C121 WeakPolarHBondContact O-CB 3.31Å; R118-C121 PolarHBondContact O-N 3.13Å; A119-C121 VanDerWaalsContact C-N 3.29Å; A119-C121 PolarHBondContact O-N 3.12Å; C121-F124 PolarHBondContact O-N 3.18Å; C121-A125 VanDerWaalsContact O-CB 3.25Å; C121-A125 WeakPolarHBondContact O-CB 3.36Å; C121-A125 PolarHBondContact O-N 3.08Å
122I96.1Very high94.9Very high118 Ų11866.9 Ų66.961%0.60537%0.366SS*.Hα-helixtrans-61.1-50.2176.2-66.8164.6000110.4R118 A119 F124 A125 L126R118-I122 WeakPolarHBondContact O-CG1 3.43Å; R118-I122 PolarHBondContact O-N 3.12Å; A119-I122 PolarHBondContact O-N 2.99Å; I122-F124 VanDerWaalsContact C-N 3.34Å; I122-F124 PolarHBondContact O-N 3.41Å; I122-A125 PolarHBondContact O-N 3.46Å; I122-L126 WeakPolarHBondContact O-CB 3.23Å; I122-L126 PolarHBondContact O-N 3.29Å
123C95.8Very high94.8Very high76 Ų7671.4 Ų71.451%0.51439%0.388SS..Hα-helixtrans-62-42178.4-67.50000112.2A119 V120 L126 F127A119-C123 PolarHBondContact O-N 2.79Å; A119-C123 VanDerWaalsContact O-N 3.09Å; V120-C123 PolarHBondContact O-N 3.49Å; C123-L126 PolarHBondContact O-N 3.07Å; C123-F127 WeakPolarHBondContact O-CD2 3.39Å; C123-F127 PolarHBondContact O-N 3.42Å
124F95.1Very high95Very high56 Ų5672.8 Ų72.825%0.24640%0.397CS..Hα-helixtrans-66.1-41.9178.9179.7-112.4000112F7 A98 V101 V102 V120 C121 I122 G128F7-F124 AromaticContact CE2-CD1 3.92Å; F7-F124 HydrophobicContact CE2-CD1 3.92Å; F7-F124 HydrophobicContact CE2-CE1 4.31Å; F7-F124 HydrophobicContact CE2-CG 4.29Å; F7-F124 HydrophobicContact CZ-CB 4.34Å; F7-F124 HydrophobicContact CZ-CD1 4.24Å; F7-F124 HydrophobicContact CZ-CG 4.48Å; A98-F124 HydrophobicContact CB-CE1 4.05Å; A98-F124 HydrophobicContact CB-CZ 4.04Å; A98-F124 WeakPolarHBondContact O-CE1 3.37Å; V101-F124 HydrophobicContact CB-CE1 4.49Å; V101-F124 HydrophobicContact CG1-CD1 4.07Å; V101-F124 HydrophobicContact CG1-CE1 4.34Å; V102-F124 HydrophobicContact CG2-CD1 4.01Å; V102-F124 HydrophobicContact CG2-CE1 3.24Å; V102-F124 HydrophobicContact CG2-CE2 4.26Å; V102-F124 HydrophobicContact CG2-CZ 3.38Å; V120-F124 WeakPolarHBondContact O-CB 3.34Å; V120-F124 PolarHBondContact O-N 2.9Å; C121-F124 PolarHBondContact O-N 3.18Å; I122-F124 VanDerWaalsContact C-N 3.34Å; I122-F124 PolarHBondContact O-N 3.41Å; F124-G128 VanDerWaalsContact O-CA 3.28Å; F124-G128 WeakPolarHBondContact O-CA 3.07Å; F124-G128 PolarHBondContact O-N 3.19Å
125A95.6Very high95Very high21 Ų2174.6 Ų74.617%0.17441%0.408CS..Hα-helixtrans-66.5-39.7176.400000112.1V101 C121 I122 F127 G128 I129V101-A125 HydrophobicContact CG1-CB 4.11Å; C121-A125 VanDerWaalsContact O-CB 3.25Å; C121-A125 WeakPolarHBondContact O-CB 3.36Å; C121-A125 PolarHBondContact O-N 3.08Å; I122-A125 PolarHBondContact O-N 3.46Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 2.91Å; A125-G128 PolarHBondContact O-N 2.7Å; A125-I129 HydrophobicContact CB-CD1 3.89Å; A125-I129 HydrophobicContact CB-CG1 4.46Å; A125-I129 WeakPolarHBondContact O-CB 3.46Å; A125-I129 VanDerWaalsContact O-CG1 3.31Å; A125-I129 WeakPolarHBondContact O-CG1 3.21Å; A125-I129 PolarHBondContact O-N 3.44Å
126L95.8Very high94.8Very high117 Ų11768.5 Ų68.561%0.61338%0.376SS*.Hα-helixtrans-57.2-42.1-179.4-177.566.5000112.8I122 C123 P130I122-L126 WeakPolarHBondContact O-CB 3.23Å; I122-L126 PolarHBondContact O-N 3.29Å; C123-L126 PolarHBondContact O-N 3.07Å; L126-P130 WeakPolarHBondContact O-CD 3.09Å; L126-P130 VanDerWaalsContact O-CG 3.31Å; L126-P130 WeakPolarHBondContact O-CG 3.19Å
127F94.8Very high94.6Very high156 Ų15666.9 Ų66.968%0.68437%0.372SS*.Hα-helixtrans-94.6-32.8178.1-65.1-72.6000113.1C123 A125 L131C123-F127 WeakPolarHBondContact O-CD2 3.39Å; C123-F127 PolarHBondContact O-N 3.42Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 2.91Å; F127-L131 WeakPolarHBondContact O-CB 3.5Å; F127-L131 PolarHBondContact O-N 3.11Å
128G94.5Very high94.4Very high10 Ų1072.2 Ų72.210%0.10340%0.4CS..Hα-helixtrans-67.2-50.6-176.700000112.3V102 F124 A125 L131 T132V102-G128 WeakPolarHBondContact CG1-O 3.41Å; F124-G128 VanDerWaalsContact O-CA 3.28Å; F124-G128 WeakPolarHBondContact O-CA 3.07Å; F124-G128 PolarHBondContact O-N 3.19Å; A125-G128 PolarHBondContact O-N 2.7Å; G128-L131 PolarHBondContact O-N 3.17Å; G128-T132 PolarHBondContact O-N 2.92Å; G128-T132 PolarHBondContact O-OG1 3.47Å; G128-T132 VanDerWaalsContact O-OG1 3.05Å
129I95Very high94.2Very high49 Ų4968.8 Ų68.825%0.25139%0.391SS..Hα-helixtrans-60.9-49.5-174.5-62.6167000111.6T104 A125 L131 T132 L133T104-I129 HydrophobicContact CG2-CD1 4.06Å; T104-I129 HydrophobicContact CG2-CG1 4.06Å; T104-I129 HydrophobicContact CG2-CG2 3.88Å; A125-I129 HydrophobicContact CB-CD1 3.89Å; A125-I129 HydrophobicContact CB-CG1 4.46Å; A125-I129 WeakPolarHBondContact O-CB 3.46Å; A125-I129 VanDerWaalsContact O-CG1 3.31Å; A125-I129 WeakPolarHBondContact O-CG1 3.21Å; A125-I129 PolarHBondContact O-N 3.44Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.47Å; I129-T132 PolarHBondContact O-N 3.14Å; I129-T132 PolarHBondContact O-OG1 3.11Å; I129-T132 VanDerWaalsContact O-OG1 3.06Å; I129-L133 HydrophobicContact CG2-CD1 3.97Å; I129-L133 HydrophobicContact CG2-CG 4.29Å; I129-L133 WeakPolarHBondContact O-CG 3.45Å; I129-L133 PolarHBondContact O-N 3.19Å
130P96Very high93.9Very high70 Ų7066.5 Ų66.546%0.45537%0.373SS..Hα-helixtrans-61.1-41.4177.1-24.135.3000112.7L126 T132 L133 V134L126-P130 WeakPolarHBondContact O-CD 3.09Å; L126-P130 VanDerWaalsContact O-CG 3.31Å; L126-P130 WeakPolarHBondContact O-CG 3.19Å; P130-T132 VanDerWaalsContact C-N 3.32Å; P130-T132 PolarHBondContact O-N 3.16Å; P130-L133 PolarHBondContact O-N 2.94Å; P130-V134 WeakPolarHBondContact O-CG2 3.4Å; P130-V134 PolarHBondContact O-N 3.19Å; P130-V134 VanDerWaalsContact O-N 3.08Å
131L94.2Very high93.6Very high115 Ų11570.2 Ų70.260%0.60239%0.386SS*.Hα-helixtrans-60.5-44.2178.1179.462.7000110.7F127 G128 I129 V134 T135F127-L131 WeakPolarHBondContact O-CB 3.5Å; F127-L131 PolarHBondContact O-N 3.11Å; G128-L131 PolarHBondContact O-N 3.17Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.47Å; L131-V134 PolarHBondContact O-N 3.29Å; L131-T135 HydrophobicContact CD1-CG2 4.43Å; L131-T135 WeakPolarHBondContact O-CG2 3.06Å; L131-T135 PolarHBondContact O-N 2.94Å; L131-T135 PolarHBondContact O-OG1 2.89Å
132T92.6Very high93.4Very high29 Ų2975.3 Ų75.318%0.17841%0.406CS..Hα-helixtrans-74-31.5178.2480000114.5V102 G128 I129 P130 V134 T135 I136V102-T132 HydrophobicContact CB-CG2 4.44Å; V102-T132 HydrophobicContact CG1-CG2 3.04Å; V102-T132 WeakPolarHBondContact CG1-OG1 3.42Å; V102-T132 PolarHBondContact O-OG1 3.36Å; V102-T132 VanDerWaalsContact O-OG1 3.05Å; G128-T132 PolarHBondContact O-N 2.92Å; G128-T132 PolarHBondContact O-OG1 3.47Å; G128-T132 VanDerWaalsContact O-OG1 3.05Å; I129-T132 PolarHBondContact O-N 3.14Å; I129-T132 PolarHBondContact O-OG1 3.11Å; I129-T132 VanDerWaalsContact O-OG1 3.06Å; P130-T132 VanDerWaalsContact C-N 3.32Å; P130-T132 PolarHBondContact O-N 3.16Å; T132-V134 VanDerWaalsContact C-N 3.29Å; T132-V134 PolarHBondContact O-N 3.06Å; T132-T135 WeakPolarHBondContact CA-OG1 3.45Å; T132-T135 PolarHBondContact O-N 2.91Å; T132-T135 PolarHBondContact O-OG1 3.2Å; T132-I136 WeakPolarHBondContact O-CB 3.35Å; T132-I136 WeakPolarHBondContact O-CD1 3.26Å; T132-I136 WeakPolarHBondContact O-CG1 3.41Å; T132-I136 PolarHBondContact O-N 3.31Å
133L92Very high93.1Very high111 Ų11172.6 Ų72.658%0.58139%0.389SS*.Hα-helixtrans-61.1-42.1172.3-73.8174.1000111.1I129 P130 A137I129-L133 HydrophobicContact CG2-CD1 3.97Å; I129-L133 HydrophobicContact CG2-CG 4.29Å; I129-L133 WeakPolarHBondContact O-CG 3.45Å; I129-L133 PolarHBondContact O-N 3.19Å; P130-L133 PolarHBondContact O-N 2.94Å; L133-A137 WeakPolarHBondContact O-CB 3.25Å; L133-A137 PolarHBondContact O-N 2.85Å
134V93.8Very high92.8Very high88 Ų8869.5 Ų69.553%0.53337%0.368SS..Hα-helixtrans-65.4-50.2175.8174.50000111.1P130 L131 T132 I136 A137 D138P130-V134 WeakPolarHBondContact O-CG2 3.4Å; P130-V134 PolarHBondContact O-N 3.19Å; P130-V134 VanDerWaalsContact O-N 3.08Å; L131-V134 PolarHBondContact O-N 3.29Å; T132-V134 VanDerWaalsContact C-N 3.29Å; T132-V134 PolarHBondContact O-N 3.06Å; V134-I136 PolarHBondContact O-N 3.25Å; V134-A137 PolarHBondContact O-N 3.11Å; V134-D138 PolarHBondContact O-N 3.48Å
135T92.6Very high92.5Very high57 Ų5772.1 Ų72.135%0.3538%0.382SS..Hα-helixtrans-64.9-41.5-178.160.80000112.3L131 T132 A137 D138 I139L131-T135 HydrophobicContact CD1-CG2 4.43Å; L131-T135 WeakPolarHBondContact O-CG2 3.06Å; L131-T135 PolarHBondContact O-N 2.94Å; L131-T135 PolarHBondContact O-OG1 2.89Å; T132-T135 WeakPolarHBondContact CA-OG1 3.45Å; T132-T135 PolarHBondContact O-N 2.91Å; T132-T135 PolarHBondContact O-OG1 3.2Å; T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 3.32Å; T135-D138 PolarHBondContact O-N 3.24Å; T135-I139 WeakPolarHBondContact O-CB 3.43Å; T135-I139 WeakPolarHBondContact O-CD1 3.33Å; T135-I139 WeakPolarHBondContact O-CG1 3.38Å; T135-I139 PolarHBondContact O-N 3Å
136I92.5Very high92.2Very high23 Ų2376.3 Ų76.312%0.11839%0.393CS..Hα-helixtrans-67.9-34.6178.2-64.3167.1000110.6T132 V134 G140 L267 T271T132-I136 WeakPolarHBondContact O-CB 3.35Å; T132-I136 WeakPolarHBondContact O-CD1 3.26Å; T132-I136 WeakPolarHBondContact O-CG1 3.41Å; T132-I136 PolarHBondContact O-N 3.31Å; V134-I136 PolarHBondContact O-N 3.25Å; I136-G140 WeakPolarHBondContact O-CA 3.35Å; I136-G140 PolarHBondContact O-N 2.85Å; I136-L267 HydrophobicContact CD1-CB 4.38Å; I136-L267 HydrophobicContact CD1-CD1 4.41Å; I136-T271 HydrophobicContact CG2-CG2 3.35Å; I136-T271 WeakPolarHBondContact CG2-OG1 3.33Å
137A89.8Confident91.8Very high55 Ų5572.4 Ų72.446%0.45537%0.373SS..Hα-helixtrans-65.7-45.6175.200000111.9L133 V134 T135 G140 K141L133-A137 WeakPolarHBondContact O-CB 3.25Å; L133-A137 PolarHBondContact O-N 2.85Å; V134-A137 PolarHBondContact O-N 3.11Å; T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 3.32Å; A137-G140 PolarHBondContact O-N 3.44Å; A137-K141 PolarHBondContact O-N 3.28Å
138D91.8Very high91.5Very high111 Ų11167.2 Ų67.259%0.59435%0.354SS*.Hα-helixtrans-63.7-44.6178-73.4-23.4000111.6V134 T135 K141 F142V134-D138 PolarHBondContact O-N 3.48Å; T135-D138 PolarHBondContact O-N 3.24Å; D138-K141 PolarHBondContact O-N 3.09Å; D138-F142 PolarHBondContact O-N 3.11Å; D138-F142 VanDerWaalsContact O-N 3.15Å
139I92.5Very high91.1Very high69 Ų6973.6 Ų73.635%0.35438%0.375SS..Hα-helixtrans-65.8-44.6176-60.5164.2000109.9T135 K141 F142 F143 V268T135-I139 WeakPolarHBondContact O-CB 3.43Å; T135-I139 WeakPolarHBondContact O-CD1 3.33Å; T135-I139 WeakPolarHBondContact O-CG1 3.38Å; T135-I139 PolarHBondContact O-N 3Å; I139-K141 VanDerWaalsContact C-N 3.27Å; I139-K141 PolarHBondContact O-N 2.92Å; I139-F142 WeakPolarHBondContact O-CB 3.4Å; I139-F142 PolarHBondContact O-N 3.07Å; I139-F142 VanDerWaalsContact O-N 3.12Å; I139-F143 HydrophobicContact CG2-CD2 3.77Å; I139-F143 HydrophobicContact CG2-CE2 3.69Å; I139-F143 WeakPolarHBondContact O-CD2 3.38Å; I139-F143 PolarHBondContact O-N 2.99Å; I139-V268 HydrophobicContact CB-CG1 4.46Å; I139-V268 HydrophobicContact CB-CG2 4.06Å; I139-V268 HydrophobicContact CG2-CB 4.24Å; I139-V268 HydrophobicContact CG2-CG1 3.58Å; I139-V268 HydrophobicContact CG2-CG2 3.56Å
140G90.5Very high90.8Very high2 Ų274.4 Ų74.42%0.02138%0.378CS..Hα-helixtrans-57.1-40.1177.700000112.5I136 A137 F143 S144I136-G140 WeakPolarHBondContact O-CA 3.35Å; I136-G140 PolarHBondContact O-N 2.85Å; A137-G140 PolarHBondContact O-N 3.44Å; G140-F143 PolarHBondContact O-N 2.86Å; G140-S144 PolarHBondContact O-N 3.28Å
141K89.2Confident90.4Very high117 Ų11773.4 Ų73.451%0.50937%0.365SS..Hα-helixtrans-63.8-45.7174.8-174179.9176.3-173.80112A137 D138 I139 F143 S144 E145A137-K141 PolarHBondContact O-N 3.28Å; D138-K141 PolarHBondContact O-N 3.09Å; I139-K141 VanDerWaalsContact C-N 3.27Å; I139-K141 PolarHBondContact O-N 2.92Å; K141-F143 VanDerWaalsContact C-N 3.28Å; K141-F143 PolarHBondContact O-N 3.48Å; K141-S144 WeakPolarHBondContact CA-OG 3.42Å; K141-S144 WeakPolarHBondContact O-CB 3.49Å; K141-S144 PolarHBondContact O-N 3.2Å; K141-S144 PolarHBondContact O-OG 3.27Å; K141-E145 WeakPolarHBondContact CE-OE1 3.36Å; K141-E145 PolarHBondContact O-N 3.06Å
142F91.1Very high90Very high132 Ų13269.1 Ų69.158%0.57935%0.345SS*.Hα-helixtrans-55.8-44.4174.8172.7-94.2000111.8D138 I139 E145 Y146D138-F142 PolarHBondContact O-N 3.11Å; D138-F142 VanDerWaalsContact O-N 3.15Å; I139-F142 WeakPolarHBondContact O-CB 3.4Å; I139-F142 PolarHBondContact O-N 3.07Å; I139-F142 VanDerWaalsContact O-N 3.12Å; F142-E145 PolarHBondContact O-N 3.05Å; F142-Y146 WeakPolarHBondContact O-CB 3.42Å; F142-Y146 PolarHBondContact O-N 2.89Å
143F90.1Very high89.8Confident61 Ų6173.7 Ų73.727%0.26836%0.36SS..Hα-helixtrans-66.7-35.7176-85.2-100.7000112.5I139 G140 K141 Y146 L147 L265 V268 M272I139-F143 HydrophobicContact CG2-CD2 3.77Å; I139-F143 HydrophobicContact CG2-CE2 3.69Å; I139-F143 WeakPolarHBondContact O-CD2 3.38Å; I139-F143 PolarHBondContact O-N 2.99Å; G140-F143 PolarHBondContact O-N 2.86Å; K141-F143 VanDerWaalsContact C-N 3.28Å; K141-F143 PolarHBondContact O-N 3.48Å; F143-Y146 PolarHBondContact O-N 3.41Å; F143-L147 WeakPolarHBondContact O-CB 3.25Å; F143-L147 WeakPolarHBondContact O-CG 3.43Å; F143-L147 PolarHBondContact O-N 3.05Å; F143-L265 HydrophobicContact CE1-CD1 4.07Å; F143-L265 HydrophobicContact CZ-CD1 3.99Å; F143-V268 HydrophobicContact CB-CG1 4.34Å; F143-V268 HydrophobicContact CD1-CG1 4.41Å; F143-V268 HydrophobicContact CD2-CG1 3.46Å; F143-V268 VanDerWaalsContact CD2-CG1 3.46Å; F143-V268 HydrophobicContact CE2-CG1 3.74Å; F143-V268 HydrophobicContact CG-CG1 3.82Å; F143-V268 HydrophobicContact CZ-CG1 4.33Å; F143-M272 HydrophobicContact CB-CB 4.47Å; F143-M272 HydrophobicContact CB-CG 4.2Å; F143-M272 HydrophobicContact CB-SD 3.76Å
144S89.3Confident89.6Confident10 Ų1074.2 Ų74.27%0.0736%0.355CS..Hα-helixtrans-63.7-44.6176.379.90000112G140 K141 L147 V148G140-S144 PolarHBondContact O-N 3.28Å; K141-S144 WeakPolarHBondContact CA-OG 3.42Å; K141-S144 WeakPolarHBondContact O-CB 3.49Å; K141-S144 PolarHBondContact O-N 3.2Å; K141-S144 PolarHBondContact O-OG 3.27Å; S144-L147 PolarHBondContact O-N 3.39Å; S144-V148 VanDerWaalsContact O-CG2 3.29Å; S144-V148 WeakPolarHBondContact O-CG2 3.41Å; S144-V148 PolarHBondContact O-N 3.44Å
145E87.9Confident89.2Confident112 Ų11271.4 Ų71.452%0.52334%0.337SS..Hα-helixtrans-64.4-42.8176.7-70.2176.9-175.400110.4K141 F142 L147 V148 W149K141-E145 WeakPolarHBondContact CE-OE1 3.36Å; K141-E145 PolarHBondContact O-N 3.06Å; F142-E145 PolarHBondContact O-N 3.05Å; E145-L147 PolarHBondContact O-N 3.25Å; E145-V148 PolarHBondContact O-N 2.93Å; E145-W149 WeakPolarHBondContact O-CB 3.37Å; E145-W149 PolarHBondContact O-N 2.94Å
146Y89.6Confident88.8Confident108 Ų10872.4 Ų72.442%0.42434%0.338SS..Hα-helixtrans-60-44.5174-178.9-98.5000112.4F142 F143 W149 Q150F142-Y146 WeakPolarHBondContact O-CB 3.42Å; F142-Y146 PolarHBondContact O-N 2.89Å; F143-Y146 PolarHBondContact O-N 3.41Å; Y146-W149 HydrophobicContact CD2-CE3 4.25Å; Y146-W149 HydrophobicContact CE2-CE3 4.15Å; Y146-W149 HydrophobicContact CE2-CZ3 4.07Å; Y146-W149 PolarHBondContact O-N 3.34Å; Y146-Q150 HydrophobicContact CD1-CG 4.15Å; Y146-Q150 HydrophobicContact CE1-CG 3.73Å; Y146-Q150 HydrophobicContact CE2-CG 4.37Å; Y146-Q150 VanDerWaalsContact CZ-NE2 3.34Å; Y146-Q150 WeakPolarHBondContact O-CG 3.34Å; Y146-Q150 PolarHBondContact O-N 3.46Å; Y146-Q150 PolarHBondContact OH-NE2 3.19Å
147L88.6Confident88.7Confident36 Ų3675 Ų7519%0.18835%0.351CS..Hα-helixtrans-66.6-40.5177.7-77.8-163.6000112.7F143 S144 E145 W149 Q150 Y151 I209 M272 L276F143-L147 WeakPolarHBondContact O-CB 3.25Å; F143-L147 WeakPolarHBondContact O-CG 3.43Å; F143-L147 PolarHBondContact O-N 3.05Å; S144-L147 PolarHBondContact O-N 3.39Å; E145-L147 PolarHBondContact O-N 3.25Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-Q150 PolarHBondContact O-N 3.39Å; L147-Y151 VanDerWaalsContact O-CB 3.26Å; L147-Y151 WeakPolarHBondContact O-CB 3.43Å; L147-Y151 PolarHBondContact O-N 3.08Å; L147-I209 HydrophobicContact CD1-CD1 3.74Å; L147-I209 HydrophobicContact CD2-CD1 4.41Å; L147-M272 HydrophobicContact CD1-CE 3.32Å; L147-M272 HydrophobicContact CD1-CG 4.47Å; L147-M272 HydrophobicContact CD1-SD 3.22Å; L147-M272 WeakPolarHBondContact CD1-SD 3.32Å; L147-M272 HydrophobicContact CG-CE 4.41Å; L147-M272 HydrophobicContact CG-SD 3.75Å; L147-L276 HydrophobicContact CD1-CD1 4.29Å
148V87.2Confident88.6Confident46 Ų4677.1 Ų77.128%0.27935%0.35SS..Hα-helixtrans-61.9-43.2175.4171.30000110S144 E145 Y151 S152 V201 L276S144-V148 VanDerWaalsContact O-CG2 3.29Å; S144-V148 WeakPolarHBondContact O-CG2 3.41Å; S144-V148 PolarHBondContact O-N 3.44Å; E145-V148 PolarHBondContact O-N 2.93Å; V148-Y151 PolarHBondContact O-N 3.41Å; V148-S152 PolarHBondContact O-N 2.94Å; V148-S152 PolarHBondContact O-OG 3.05Å; V148-V201 HydrophobicContact CG2-CG2 3.99Å; V148-L276 HydrophobicContact CG2-CD2 4.31Å
149W86.9Confident88.2Confident145 Ų14575.9 Ų75.955%0.54934%0.341SS..Hα-helixtrans-61.9-44.8175177.475.7000112.6E145 Y146 L147 Y151 S152 Y153E145-W149 WeakPolarHBondContact O-CB 3.37Å; E145-W149 PolarHBondContact O-N 2.94Å; Y146-W149 HydrophobicContact CD2-CE3 4.25Å; Y146-W149 HydrophobicContact CE2-CE3 4.15Å; Y146-W149 HydrophobicContact CE2-CZ3 4.07Å; Y146-W149 PolarHBondContact O-N 3.34Å; L147-W149 VanDerWaalsContact C-N 3.3Å; W149-Y151 VanDerWaalsContact C-N 3.32Å; W149-Y151 PolarHBondContact O-N 3.46Å; W149-S152 PolarHBondContact O-N 3.41Å; W149-S152 PolarHBondContact O-OG 2.82Å; W149-Y153 WeakPolarHBondContact O-CB 3.49Å; W149-Y153 PolarHBondContact O-N 3.34Å
150Q88.8Confident88Confident66 Ų6678.9 Ų78.931%0.30835%0.351SS..Hα-helixtrans-63.3-39.8175.3-74.4-67-1.300112.2Y146 L147 Y153 Y154Y146-Q150 HydrophobicContact CD1-CG 4.15Å; Y146-Q150 HydrophobicContact CE1-CG 3.73Å; Y146-Q150 HydrophobicContact CE2-CG 4.37Å; Y146-Q150 VanDerWaalsContact CZ-NE2 3.34Å; Y146-Q150 WeakPolarHBondContact O-CG 3.34Å; Y146-Q150 PolarHBondContact O-N 3.46Å; Y146-Q150 PolarHBondContact OH-NE2 3.19Å; L147-Q150 PolarHBondContact O-N 3.39Å; Q150-Y153 PolarHBondContact O-N 3.4Å; Q150-Y154 WeakPolarHBondContact O-CB 3.29Å; Q150-Y154 PolarHBondContact O-N 2.9Å
151Y87.7Confident88Confident49 Ų4983 Ų8319%0.19237%0.372CS..Hα-helixtrans-67.2-41.9178.5-175.2-109.3000112L147 V148 W149 Y154 L155 V201 P202L147-Y151 VanDerWaalsContact O-CB 3.26Å; L147-Y151 WeakPolarHBondContact O-CB 3.43Å; L147-Y151 PolarHBondContact O-N 3.08Å; V148-Y151 PolarHBondContact O-N 3.41Å; W149-Y151 VanDerWaalsContact C-N 3.32Å; W149-Y151 PolarHBondContact O-N 3.46Å; Y151-Y154 PolarHBondContact O-N 3.17Å; Y151-L155 HydrophobicContact CD1-CD1 3.87Å; Y151-L155 HydrophobicContact CD1-CG 4.36Å; Y151-L155 HydrophobicContact CE1-CD1 3.37Å; Y151-L155 HydrophobicContact CE1-CG 3.98Å; Y151-L155 HydrophobicContact CE2-CG 4.41Å; Y151-L155 WeakPolarHBondContact O-CG 3.42Å; Y151-L155 PolarHBondContact O-N 2.68Å; Y151-V201 HydrophobicContact CD1-CG2 4.18Å; Y151-V201 HydrophobicContact CG-CG2 4.19Å; Y151-P202 VanDerWaalsContact CZ-CD 3.47Å; Y151-P202 WeakPolarHBondContact OH-CD 3.4Å; Y151-P202 WeakPolarHBondContact OH-CG 3.41Å
152S85.2Confident87.9Confident25 Ų2581.3 Ų81.318%0.17537%0.368CS..Hα-helixtrans-63.4-45175.170.80000110.5V148 W149 Y154 L155 E156 F196V148-S152 PolarHBondContact O-N 2.94Å; V148-S152 PolarHBondContact O-OG 3.05Å; W149-S152 PolarHBondContact O-N 3.41Å; W149-S152 PolarHBondContact O-OG 2.82Å; S152-Y154 VanDerWaalsContact C-N 3.35Å; S152-Y154 PolarHBondContact O-N 3.24Å; S152-L155 PolarHBondContact O-N 2.92Å; S152-L155 VanDerWaalsContact O-N 3.13Å; S152-E156 WeakPolarHBondContact O-CG 3.41Å; S152-E156 PolarHBondContact O-N 3.39Å; S152-F196 WeakPolarHBondContact O-CZ 3.27Å
153Y88.6Confident87.6Confident125 Ų12580.4 Ų80.449%0.4936%0.364SS..Hα-helixtrans-57.2-45.8174.5-176.7-96.8000112.6W149 Q150 L155 E156 L157W149-Y153 WeakPolarHBondContact O-CB 3.49Å; W149-Y153 PolarHBondContact O-N 3.34Å; Q150-Y153 PolarHBondContact O-N 3.4Å; Y153-L155 PolarHBondContact O-N 3.32Å; Y153-E156 WeakPolarHBondContact O-CB 3.24Å; Y153-E156 PolarHBondContact O-N 3.3Å; Y153-L157 PolarHBondContact O-N 2.94Å
154Y88.5Confident87.4Confident122 Ų12279.1 Ų79.148%0.47837%0.368SS..Hα-helixtrans-59.1-44.7175.4168.1-97.8000112.2Q150 Y151 S152 E156 L157 K158Q150-Y154 WeakPolarHBondContact O-CB 3.29Å; Q150-Y154 PolarHBondContact O-N 2.9Å; Y151-Y154 PolarHBondContact O-N 3.17Å; S152-Y154 VanDerWaalsContact C-N 3.35Å; S152-Y154 PolarHBondContact O-N 3.24Å; Y154-E156 VanDerWaalsContact C-N 3.34Å; Y154-E156 PolarHBondContact O-N 3.09Å; Y154-L157 PolarHBondContact O-N 3.06Å; Y154-K158 HydrophobicContact CE1-CD 4.14Å; Y154-K158 WeakPolarHBondContact O-CB 3.26Å; Y154-K158 PolarHBondContact O-N 3.2Å
155L84.6Confident87.4Confident29 Ų2983 Ų8315%0.15239%0.387CS..Hα-helixtrans-64.2-38.7177.6-71.2178.7000111.8Y151 S152 Y153 K158 Q159 F196Y151-L155 HydrophobicContact CD1-CD1 3.87Å; Y151-L155 HydrophobicContact CD1-CG 4.36Å; Y151-L155 HydrophobicContact CE1-CD1 3.37Å; Y151-L155 HydrophobicContact CE1-CG 3.98Å; Y151-L155 HydrophobicContact CE2-CG 4.41Å; Y151-L155 WeakPolarHBondContact O-CG 3.42Å; Y151-L155 PolarHBondContact O-N 2.68Å; S152-L155 PolarHBondContact O-N 2.92Å; S152-L155 VanDerWaalsContact O-N 3.13Å; Y153-L155 PolarHBondContact O-N 3.32Å; L155-K158 PolarHBondContact O-N 3.3Å; L155-Q159 WeakPolarHBondContact O-CB 3.5Å; L155-Q159 VanDerWaalsContact O-CG 3.28Å; L155-Q159 WeakPolarHBondContact O-CG 3.44Å; L155-Q159 PolarHBondContact O-N 3.04Å; L155-F196 HydrophobicContact CB-CE2 3.57Å; L155-F196 HydrophobicContact CB-CZ 3.78Å; L155-F196 HydrophobicContact CD1-CE2 4.26Å
156E84.9Confident87.1Confident78 Ų7886.5 Ų86.536%0.36440%0.396SS..Hα-helixtrans-61.7-46.6175.1-69.1-162.5174.800111.2S152 Y153 Y154 Q159 K160 F196S152-E156 WeakPolarHBondContact O-CG 3.41Å; S152-E156 PolarHBondContact O-N 3.39Å; Y153-E156 WeakPolarHBondContact O-CB 3.24Å; Y153-E156 PolarHBondContact O-N 3.3Å; Y154-E156 VanDerWaalsContact C-N 3.34Å; Y154-E156 PolarHBondContact O-N 3.09Å; E156-Q159 PolarHBondContact O-N 3.45Å; E156-K160 WeakPolarHBondContact O-CG 3.4Å; E156-K160 PolarHBondContact O-N 3.34Å; E156-K160 IonicContact OE2-NZ 2.68Å; E156-F196 HydrophobicContact CB-CZ 4.2Å; E156-F196 HydrophobicContact CG-CE1 3.4Å; E156-F196 VanDerWaalsContact CG-CE1 3.4Å; E156-F196 HydrophobicContact CG-CE2 4.41Å; E156-F196 HydrophobicContact CG-CZ 3.27Å
157L89.6Confident87Confident77 Ų7789.6 Ų89.640%0.40341%0.407SS..Hα-helixtrans-62.2-47179.8-174.565.1000110.6Y153 Y154 Q159 K160 I161Y153-L157 PolarHBondContact O-N 2.94Å; Y154-L157 PolarHBondContact O-N 3.06Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-Q159 PolarHBondContact O-N 3.33Å; L157-K160 PolarHBondContact O-N 3.18Å; L157-K160 VanDerWaalsContact O-N 3.16Å; L157-I161 HydrophobicContact CD1-CD1 4.35Å; L157-I161 HydrophobicContact CG-CD1 3.95Å; L157-I161 WeakPolarHBondContact O-CB 3.37Å; L157-I161 VanDerWaalsContact O-CG1 3.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.25Å; L157-I161 PolarHBondContact O-N 2.66Å
158K87.6Confident86.9Confident100 Ų10094.7 Ų94.744%0.43542%0.423SS..Hα-helixtrans-58.2-40.1175.3-174.8176.2-176.9173.40111.8Y154 L155 N162Y154-K158 HydrophobicContact CE1-CD 4.14Å; Y154-K158 WeakPolarHBondContact O-CB 3.26Å; Y154-K158 PolarHBondContact O-N 3.2Å; L155-K158 PolarHBondContact O-N 3.3Å; K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.27Å; K158-N162 PolarHBondContact O-N 2.69Å
159Q84.4Confident86.8Confident84 Ų8499.9 Ų99.939%0.39344%0.438SS..Hα-helixtrans-67.9-42175.8-74.8-176.725.600112.6L155 E156 L157 N162 K163L155-Q159 WeakPolarHBondContact O-CB 3.5Å; L155-Q159 VanDerWaalsContact O-CG 3.28Å; L155-Q159 WeakPolarHBondContact O-CG 3.44Å; L155-Q159 PolarHBondContact O-N 3.04Å; E156-Q159 PolarHBondContact O-N 3.45Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-Q159 PolarHBondContact O-N 3.33Å; Q159-N162 PolarHBondContact O-N 3.13Å; Q159-K163 WeakPolarHBondContact O-CB 3.37Å; Q159-K163 VanDerWaalsContact O-CG 3.31Å; Q159-K163 WeakPolarHBondContact O-CG 3.29Å; Q159-K163 PolarHBondContact O-N 3.36Å
160K87.1Confident86.5Confident133 Ų13398.2 Ų98.258%0.57844%0.435SS*.Hα-helixtrans-60.9-46.5175.5-74.9171.3-176.8162.80110.6E156 L157 K163 G164E156-K160 WeakPolarHBondContact O-CG 3.4Å; E156-K160 PolarHBondContact O-N 3.34Å; E156-K160 IonicContact OE2-NZ 2.68Å; L157-K160 PolarHBondContact O-N 3.18Å; L157-K160 VanDerWaalsContact O-N 3.16Å; K160-K163 PolarHBondContact O-N 3.29Å; K160-G164 PolarHBondContact O-N 3Å
161I90.5Very high86.3Confident89 Ų89104.1 Ų104.146%0.45645%0.454SS..Hα-helixtrans-61.1-49.4175.9-67.9169.3000110.8L157 K163 G164 I165L157-I161 HydrophobicContact CD1-CD1 4.35Å; L157-I161 HydrophobicContact CG-CD1 3.95Å; L157-I161 WeakPolarHBondContact O-CB 3.37Å; L157-I161 VanDerWaalsContact O-CG1 3.31Å; L157-I161 WeakPolarHBondContact O-CG1 3.25Å; L157-I161 PolarHBondContact O-N 2.66Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.07Å; I161-G164 CarbonylContact O-C 3.59Å; I161-G164 WeakPolarHBondContact O-CA 3.48Å; I161-G164 PolarHBondContact O-N 3.31Å; I161-I165 HydrophobicContact CG2-CD1 3.7Å; I161-I165 HydrophobicContact CG2-CG1 4.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.3Å; I161-I165 PolarHBondContact O-N 3.34Å
162N87.4Confident86Confident80 Ų80107.7 Ų107.743%0.42847%0.472SS..Hα-helixtrans-61.3-37.9178.9-83.4-11.1000113K158 Q159 G164 R166K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.27Å; K158-N162 PolarHBondContact O-N 2.69Å; Q159-N162 PolarHBondContact O-N 3.13Å; N162-G164 VanDerWaalsContact C-N 3.35Å; N162-R166 WeakPolarHBondContact O-CB 3.12Å; N162-R166 VanDerWaalsContact O-CG 3.28Å; N162-R166 WeakPolarHBondContact O-CG 3.26Å; N162-R166 PolarHBondContact O-N 2.76Å
163K84.7Confident85.8Confident113 Ų113112.8 Ų112.849%0.49150%0.497SS..Hα-helixtrans-64.9-40.5172.1-73.3173.4-175.9172.20111Q159 K160 I161 R166 R167Q159-K163 WeakPolarHBondContact O-CB 3.37Å; Q159-K163 VanDerWaalsContact O-CG 3.31Å; Q159-K163 WeakPolarHBondContact O-CG 3.29Å; Q159-K163 PolarHBondContact O-N 3.36Å; K160-K163 PolarHBondContact O-N 3.29Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.07Å; K163-R166 PolarHBondContact O-N 2.83Å; K163-R167 VanDerWaalsContact O-CG 3.28Å; K163-R167 WeakPolarHBondContact O-CG 3.19Å; K163-R167 PolarHBondContact O-N 3.46Å
164G86.4Confident84.7Confident34 Ų34109.2 Ų109.235%0.35150%0.498SS..Hα-helixtrans-59.5-51173.500000112.8K160 I161 N162 R166 R167 W168K160-G164 PolarHBondContact O-N 3Å; I161-G164 CarbonylContact O-C 3.59Å; I161-G164 WeakPolarHBondContact O-CA 3.48Å; I161-G164 PolarHBondContact O-N 3.31Å; N162-G164 VanDerWaalsContact C-N 3.35Å; G164-R166 PolarHBondContact O-N 3.44Å; G164-R167 WeakPolarHBondContact O-CB 3.31Å; G164-R167 PolarHBondContact O-N 3.21Å; G164-W168 PolarHBondContact O-N 3.37Å
165I88.7Confident83.5Confident93 Ų93107.5 Ų107.548%0.47750%0.497SS..Hα-helixtrans-61.5-44177.4-65.8170.8000110.9I161 R167 W168 R169I161-I165 HydrophobicContact CG2-CD1 3.7Å; I161-I165 HydrophobicContact CG2-CG1 4.24Å; I161-I165 WeakPolarHBondContact O-CG1 3.3Å; I161-I165 PolarHBondContact O-N 3.34Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.02Å; I165-W168 PolarHBondContact O-N 2.7Å; I165-R169 WeakPolarHBondContact O-CB 3.17Å; I165-R169 PolarHBondContact O-N 2.82Å
166R83.1Confident82.4Confident184 Ų184114.4 Ų114.469%0.69453%0.533SS*.Hα-helixtrans-60.4-41.5176-78179.3176.5-168.8-0.5112.2N162 K163 G164 K170N162-R166 WeakPolarHBondContact O-CB 3.12Å; N162-R166 VanDerWaalsContact O-CG 3.28Å; N162-R166 WeakPolarHBondContact O-CG 3.26Å; N162-R166 PolarHBondContact O-N 2.76Å; K163-R166 PolarHBondContact O-N 2.83Å; G164-R166 PolarHBondContact O-N 3.44Å; R166-K170 PolarHBondContact O-N 2.84Å
167R86.3Confident80.9Confident174 Ų174115 Ų11566%0.65754%0.543SS*.Hα-helixtrans-66.5-38175.1-73.5172-176.8169.4-0.9112.3K163 G164 I165 R171K163-R167 VanDerWaalsContact O-CG 3.28Å; K163-R167 WeakPolarHBondContact O-CG 3.19Å; K163-R167 PolarHBondContact O-N 3.46Å; G164-R167 WeakPolarHBondContact O-CB 3.31Å; G164-R167 PolarHBondContact O-N 3.21Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3.02Å; R167-R171 PolarHBondContact O-N 2.93Å; R167-R171 PolarHBondContact O-NE 3.45Å
168W86.2Confident78.8Confident142 Ų142122.2 Ų122.254%0.53856%0.564SS.*Hα-helixtrans-66-48.6175.1-178.683.5000111.2G164 I165 K170 R171 H172G164-W168 PolarHBondContact O-N 3.37Å; I165-W168 PolarHBondContact O-N 2.7Å; W168-K170 VanDerWaalsContact C-N 3.33Å; W168-K170 PolarHBondContact O-N 3.46Å; W168-R171 PolarHBondContact O-N 3.04Å; W168-H172 AromaticContact CD1-CD2 3.51Å; W168-H172 AromaticContact CD1-NE2 3.6Å; W168-H172 AromaticContact CD2-CD2 3.78Å; W168-H172 AromaticContact CE2-CD2 3.27Å; W168-H172 AromaticContact CE2-NE2 3.65Å; W168-H172 AromaticContact CG-CD2 3.91Å; W168-H172 AromaticContact CZ2-CD2 3.74Å; W168-H172 AromaticContact NE1-CD2 3.1Å; W168-H172 PolarHBondContact NE1-CD2 2.86Å; W168-H172 AromaticContact NE1-NE2 3.04Å; W168-H172 PolarHBondContact NE1-NE2 2.96Å; W168-H172 PolarHBondContact O-CD2 3.27Å; W168-H172 PolarHBondContact O-N 3.16Å; W168-H172 VanDerWaalsContact O-N 3.08Å
169R86.2Confident76.9Confident155 Ų155125 Ų12559%0.58558%0.579SS**Hα-helixtrans-58.9-41.4177.8-165.3179.476.21465.4112.5I165 R171 H172 L173I165-R169 WeakPolarHBondContact O-CB 3.17Å; I165-R169 PolarHBondContact O-N 2.82Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R169-R171 PolarHBondContact O-N 3.38Å; R169-H172 PolarHBondContact O-N 3.16Å; R169-L173 HydrophobicContact CG-CB 4.34Å; R169-L173 HydrophobicContact CG-CD2 4.38Å; R169-L173 VanDerWaalsContact O-CB 3.23Å; R169-L173 WeakPolarHBondContact O-CB 3.08Å; R169-L173 PolarHBondContact O-N 3.02Å
170K79.7Confident74.9Confident111 Ų111128.5 Ų128.548%0.48360%0.595SS.*Hα-helixtrans-62.2-35.7175-81.6-169.6169.4-122.40113.2R166 W168 D175R166-K170 PolarHBondContact O-N 2.84Å; W168-K170 VanDerWaalsContact C-N 3.33Å; W168-K170 PolarHBondContact O-N 3.46Å; K170-D175 IonicContact NZ-OD1 3.22Å; K170-D175 PolarHBondContact NZ-OD1 3.19Å; K170-D175 IonicContact NZ-OD2 2.78Å; K170-D175 PolarHBondContact NZ-OD2 2.96Å
171R84.5Confident73.1Confident189 Ų189127.9 Ų127.971%0.71361%0.608SS**Hα-helixtrans-71.5-40.3177.9-79.2-175.9-75.9162.5-3.6112.7R167 W168 R169R167-R171 PolarHBondContact O-N 2.93Å; R167-R171 PolarHBondContact O-NE 3.45Å; W168-R171 PolarHBondContact O-N 3.04Å; R169-R171 VanDerWaalsContact C-N 3.32Å; R169-R171 PolarHBondContact O-N 3.38Å
172H82.6Confident71.4Confident124 Ų124129.9 Ų129.957%0.57461%0.613SS**Hα-helixtrans-90.4-31.2-174.4-74.6-78.7000114.6W168 R169W168-H172 AromaticContact CD1-CD2 3.51Å; W168-H172 AromaticContact CD1-NE2 3.6Å; W168-H172 AromaticContact CD2-CD2 3.78Å; W168-H172 AromaticContact CE2-CD2 3.27Å; W168-H172 AromaticContact CE2-NE2 3.65Å; W168-H172 AromaticContact CG-CD2 3.91Å; W168-H172 AromaticContact CZ2-CD2 3.74Å; W168-H172 AromaticContact NE1-CD2 3.1Å; W168-H172 PolarHBondContact NE1-CD2 2.86Å; W168-H172 AromaticContact NE1-NE2 3.04Å; W168-H172 PolarHBondContact NE1-NE2 2.96Å; W168-H172 PolarHBondContact O-CD2 3.27Å; W168-H172 PolarHBondContact O-N 3.16Å; W168-H172 VanDerWaalsContact O-N 3.08Å; R169-H172 PolarHBondContact O-N 3.16Å
173L81Confident69.9Low132 Ų132128.7 Ų128.769%0.69162%0.62SS**Hα-helixtrans-97.5-4.1-172.6-14675.1000114.3R169R169-L173 HydrophobicContact CG-CB 4.34Å; R169-L173 HydrophobicContact CG-CD2 4.38Å; R169-L173 VanDerWaalsContact O-CB 3.23Å; R169-L173 WeakPolarHBondContact O-CB 3.08Å; R169-L173 PolarHBondContact O-N 3.02Å
174G65.6Low68.9Low50 Ų50126.5 Ų126.552%0.51561%0.613SS.*  trans69.8130.6-175.400000113.2L176G174-L176 PolarHBondContact O-N 3.42Å
175D63Low68.2Low87 Ų87126.1 Ų126.147%0.46561%0.605SS.*  trans-81.581.2-178.9-144.910.5000109.7K170 T177K170-D175 IonicContact NZ-OD1 3.22Å; K170-D175 PolarHBondContact NZ-OD1 3.19Å; K170-D175 IonicContact NZ-OD2 2.78Å; K170-D175 PolarHBondContact NZ-OD2 2.96Å; D175-T177 PolarHBondContact O-N 3.46Å; D175-T177 VanDerWaalsContact O-N 3.15Å
176L60.2Low67.4Low174 Ų174127.9 Ų127.991%0.91162%0.616SS**  trans-66.6-6.8176.3-98145000113.7G174G174-L176 PolarHBondContact O-N 3.42Å
177T55Low66.7Low91 Ų91126.2 Ų126.256%0.55862%0.615SS**SBendtrans-126.4102.7175.552.40000110D175 Q179D175-T177 PolarHBondContact O-N 3.46Å; D175-T177 VanDerWaalsContact O-N 3.15Å; T177-Q179 PolarHBondContact O-N 3.24Å
178R45.4Very low66.1Low227 Ų227118.5 Ų118.586%0.85759%0.588SS**  trans-67.672.1166.7-174.7-179.2169.8156.5-2.7109.4
179Q46.4Very low65.3Low158 Ų158117.5 Ų117.574%0.73859%0.587SS**  trans-95.2103.9168.9-161.2150.6-7.200107.6T177 S181T177-Q179 PolarHBondContact O-N 3.24Å; Q179-S181 PolarHBondContact O-N 2.86Å
180E43.8Very low64.7Low158 Ų158115.3 Ų115.374%0.73858%0.584SS**  trans-52.8112.1170.8-73.8178.8167.200108.5F182E180-F182 PolarHBondContact O-N 2.82Å
181S48.9Very low64.2Low120 Ų120113 Ų11384%0.83957%0.574SS**  trans-72.594.5178.4-1730000108Q179 G183Q179-S181 PolarHBondContact O-N 2.86Å; S181-G183 PolarHBondContact O-N 3.23Å
182F54.7Low63.3Low131 Ų131111 Ų11158%0.57557%0.566SS**PPolyproline II helixtrans-55.3120.2173.6-162-100000109.8E180 S378E180-F182 PolarHBondContact O-N 2.82Å; F182-S378 WeakPolarHBondContact CE2-OG 3.44Å; F182-S378 WeakPolarHBondContact CZ-OG 3.23Å
183G56.4Low62.5Low55 Ų55109.9 Ų109.957%0.56756%0.564SS**PPolyproline II helixtrans-61.5136.4175.900000110.6S181S181-G183 PolarHBondContact O-N 3.23Å
184L63.7Low61.7Low67 Ų67107.8 Ų107.835%0.35155%0.553SS.*PPolyproline II helixtrans-70.4135.3176-150.278.2000109.2C188L184-C188 HydrophobicContact CD1-CB 4.18Å; L184-C188 HydrophobicContact CD2-CB 3.64Å; L184-C188 HydrophobicContact CG-CB 3.55Å
185C70.7Confident61.5Low27 Ų27110.9 Ų110.918%0.18255%0.554CS.*PPolyproline II helixtrans-67.9158.7174.971.40000111.8Q187 C188 K189C185-Q187 VanDerWaalsContact C-N 3.31Å; C185-Q187 PolarHBondContact O-N 2.9Å; C185-C188 PolarHBondContact O-N 3.2Å; C185-C188 VanDerWaalsContact O-N 3.08Å; C185-C188 PolarHBondContact SG-SG 3.05Å; C185-K189 PolarHBondContact O-N 2.88Å
186D71.2Confident61.4Low130 Ų130108.3 Ų108.370%0.69554%0.539SS*.Hα-helixtrans-60.6-35.5-175.9-78.6-29.4000113.5C188 K189 Q190D186-C188 VanDerWaalsContact C-N 3.34Å; D186-C188 PolarHBondContact O-N 3.39Å; D186-K189 WeakPolarHBondContact O-CB 3.38Å; D186-K189 PolarHBondContact O-N 2.72Å; D186-Q190 WeakPolarHBondContact O-CB 3.38Å; D186-Q190 PolarHBondContact O-N 3.26Å
187Q70.1Confident61.4Low148 Ų148105.7 Ų105.769%0.69253%0.526SS*.Hα-helixtrans-63.2-39.3175.3-72.9-177.2-14.400112.5C185 Q190 K191C185-Q187 VanDerWaalsContact C-N 3.31Å; C185-Q187 PolarHBondContact O-N 2.9Å; Q187-Q190 PolarHBondContact O-N 2.88Å; Q187-K191 PolarHBondContact O-N 3.3Å
188C73.2Confident61.6Low12 Ų12106.6 Ų106.68%0.08152%0.524CS..Hα-helixtrans-74.4-31176.9-67.60000112L184 C185 D186 R192 Y375L184-C188 HydrophobicContact CD1-CB 4.18Å; L184-C188 HydrophobicContact CD2-CB 3.64Å; L184-C188 HydrophobicContact CG-CB 3.55Å; C185-C188 PolarHBondContact O-N 3.2Å; C185-C188 VanDerWaalsContact O-N 3.08Å; C185-C188 PolarHBondContact SG-SG 3.05Å; D186-C188 VanDerWaalsContact C-N 3.34Å; D186-C188 PolarHBondContact O-N 3.39Å; C188-R192 VanDerWaalsContact O-CB 3.29Å; C188-R192 WeakPolarHBondContact O-CB 3.24Å; C188-R192 PolarHBondContact O-N 3.27Å; C188-Y375 WeakPolarHBondContact SG-CA 2.97Å; C188-Y375 PolarHBondContact SG-O 3.34Å
189K69.8Low62.4Low121 Ų12197 Ų9753%0.52649%0.491SS..Hα-helixtrans-65.8-43.7171.5-165.8179.5177.7-171.70110.4C185 D186 R192 L193C185-K189 PolarHBondContact O-N 2.88Å; D186-K189 WeakPolarHBondContact O-CB 3.38Å; D186-K189 PolarHBondContact O-N 2.72Å; K189-R192 PolarHBondContact O-N 2.88Å; K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.31Å
190Q73.4Confident63.7Low110 Ų11092 Ų9251%0.51447%0.474SS..Hα-helixtrans-66.6-44.7177.5-170.667-400112.3D186 Q187 R192 L193 L194D186-Q190 WeakPolarHBondContact O-CB 3.38Å; D186-Q190 PolarHBondContact O-N 3.26Å; Q187-Q190 PolarHBondContact O-N 2.88Å; Q190-R192 VanDerWaalsContact C-N 3.32Å; Q190-R192 PolarHBondContact O-N 3.48Å; Q190-L193 WeakPolarHBondContact O-CB 3.34Å; Q190-L193 PolarHBondContact O-N 3.22Å; Q190-L193 VanDerWaalsContact O-N 3.15Å; Q190-L194 HydrophobicContact CG-CD1 4.38Å; Q190-L194 WeakPolarHBondContact O-CG 3.15Å; Q190-L194 PolarHBondContact O-N 3.05Å
191K68Low65.5Low61 Ų6185 Ų8527%0.26544%0.441SS..Hα-helixtrans-60.4-42.7173.4178.5171.2172.2177.90111.6Q187 L193 L194 E195 Y375Q187-K191 PolarHBondContact O-N 3.3Å; K191-L193 VanDerWaalsContact C-N 3.27Å; K191-L193 PolarHBondContact O-N 3.03Å; K191-L194 PolarHBondContact O-N 3.28Å; K191-E195 WeakPolarHBondContact CE-OE1 3.32Å; K191-E195 HydrophobicContact CG-CG 4.32Å; K191-E195 IonicContact NZ-OE1 3.45Å; K191-E195 WeakPolarHBondContact O-CB 3.47Å; K191-E195 PolarHBondContact O-N 2.74Å; K191-Y375 HydrophobicContact CD-CD1 3.65Å; K191-Y375 HydrophobicContact CD-CE1 3.07Å; K191-Y375 HydrophobicContact CG-CE1 4.4Å; K191-Y375 VanDerWaalsContact NZ-CE1 3.31Å; K191-Y375 PolarHBondContact NZ-OH 2.94Å
192R66.4Low67.3Low148 Ų14881.4 Ų81.456%0.55842%0.415SS*.Hα-helixtrans-62.3-35.9176.2-170.4-177.4-67.1-168.8-0.6111.8C188 K189 Q190 F196C188-R192 VanDerWaalsContact O-CB 3.29Å; C188-R192 WeakPolarHBondContact O-CB 3.24Å; C188-R192 PolarHBondContact O-N 3.27Å; K189-R192 PolarHBondContact O-N 2.88Å; Q190-R192 VanDerWaalsContact C-N 3.32Å; Q190-R192 PolarHBondContact O-N 3.48Å; R192-F196 VanDerWaalsContact O-CB 3.24Å; R192-F196 WeakPolarHBondContact O-CB 3.3Å; R192-F196 PolarHBondContact O-N 3.27Å
193L65.6Low68.8Low100 Ų10076.3 Ų76.352%0.52440%0.398SS..Hα-helixtrans-67.6-42.4173.5-72.8165000111.8K189 Q190 K191 F196 D197K189-L193 WeakPolarHBondContact O-CG 3.45Å; K189-L193 PolarHBondContact O-N 3.31Å; Q190-L193 WeakPolarHBondContact O-CB 3.34Å; Q190-L193 PolarHBondContact O-N 3.22Å; Q190-L193 VanDerWaalsContact O-N 3.15Å; K191-L193 VanDerWaalsContact C-N 3.27Å; K191-L193 PolarHBondContact O-N 3.03Å; L193-F196 WeakPolarHBondContact O-CB 3.42Å; L193-F196 PolarHBondContact O-N 3.15Å; L193-D197 PolarHBondContact O-N 3.48Å
194L64.5Low70.3Confident89 Ų8978.7 Ų78.747%0.46640%0.402SS..Hα-helixtrans-66.2-41.9175.9-71.4167.8000112.7Q190 K191 F196 D197 H198Q190-L194 HydrophobicContact CG-CD1 4.38Å; Q190-L194 WeakPolarHBondContact O-CG 3.15Å; Q190-L194 PolarHBondContact O-N 3.05Å; K191-L194 PolarHBondContact O-N 3.28Å; L194-F196 PolarHBondContact O-N 2.88Å; L194-D197 PolarHBondContact O-N 3.34Å; L194-H198 WeakPolarHBondContact O-CB 3.25Å; L194-H198 PolarHBondContact O-CD2 2.77Å; L194-H198 PolarHBondContact O-N 3.24Å
195E62.3Low71.6Confident114 Ų11478 Ų7853%0.53340%0.4SS..Hα-helixtrans-63.4-32.8171.9-78.6176.717500111.5K191 H198 S199K191-E195 WeakPolarHBondContact CE-OE1 3.32Å; K191-E195 HydrophobicContact CG-CG 4.32Å; K191-E195 IonicContact NZ-OE1 3.45Å; K191-E195 WeakPolarHBondContact O-CB 3.47Å; K191-E195 PolarHBondContact O-N 2.74Å; E195-H198 CarbonylContact O-C 3.37Å; E195-S199 PolarHBondContact O-N 3.47Å; E195-S199 VanDerWaalsContact O-N 3.13Å; E195-S199 PolarHBondContact O-OG 2.91Å
196F60.4Low72.6Confident33 Ų3376.8 Ų76.815%0.14539%0.392CS..Hα-helixtrans-70.3-44.5176.8-167.8-98.7000112S152 L155 E156 R192 L193 L194 H198 S199S152-F196 WeakPolarHBondContact O-CZ 3.27Å; L155-F196 HydrophobicContact CB-CE2 3.57Å; L155-F196 HydrophobicContact CB-CZ 3.78Å; L155-F196 HydrophobicContact CD1-CE2 4.26Å; E156-F196 HydrophobicContact CB-CZ 4.2Å; E156-F196 HydrophobicContact CG-CE1 3.4Å; E156-F196 VanDerWaalsContact CG-CE1 3.4Å; E156-F196 HydrophobicContact CG-CE2 4.41Å; E156-F196 HydrophobicContact CG-CZ 3.27Å; R192-F196 VanDerWaalsContact O-CB 3.24Å; R192-F196 WeakPolarHBondContact O-CB 3.3Å; R192-F196 PolarHBondContact O-N 3.27Å; L193-F196 WeakPolarHBondContact O-CB 3.42Å; L193-F196 PolarHBondContact O-N 3.15Å; L194-F196 PolarHBondContact O-N 2.88Å; F196-H198 VanDerWaalsContact C-N 3.28Å; F196-H198 PolarHBondContact O-N 3.2Å; F196-S199 WeakPolarHBondContact CA-OG 3.48Å; F196-S199 WeakPolarHBondContact O-CB 3.45Å; F196-S199 PolarHBondContact O-N 3.4Å; F196-S199 PolarHBondContact O-OG 2.81Å
197D58.7Low73.6Confident120 Ų12075.2 Ų75.264%0.64238%0.382SS*.Hα-helixtrans-63.7-36.7175.7-160.733.6000111.3L193 L194 S199L193-D197 PolarHBondContact O-N 3.48Å; L194-D197 PolarHBondContact O-N 3.34Å; D197-S199 VanDerWaalsContact C-N 3.28Å; D197-S199 PolarHBondContact O-N 3.4Å
198H59.3Low74.7Confident110 Ų11071 Ų7151%0.50937%0.373SS..THydrogen-bonded Turntrans-86.720.2171.8-71.4-57.6000114.6L194 E195 F196 S200 W356L194-H198 WeakPolarHBondContact O-CB 3.25Å; L194-H198 PolarHBondContact O-CD2 2.77Å; L194-H198 PolarHBondContact O-N 3.24Å; E195-H198 CarbonylContact O-C 3.37Å; F196-H198 VanDerWaalsContact C-N 3.28Å; F196-H198 PolarHBondContact O-N 3.2Å; H198-S200 PolarHBondContact O-N 2.91Å; H198-W356 AromaticContact CE1-CZ3 3.99Å; H198-W356 AromaticContact NE2-CZ3 3.46Å; H198-W356 WeakPolarHBondContact NE2-CZ3 3.45Å
199S62.6Low75.7Confident25 Ų2573.1 Ų73.118%0.17538%0.383CS..  trans-63.386.5175.4-64.50000109.8E195 F196 D197 V201E195-S199 PolarHBondContact O-N 3.47Å; E195-S199 VanDerWaalsContact O-N 3.13Å; E195-S199 PolarHBondContact O-OG 2.91Å; F196-S199 WeakPolarHBondContact CA-OG 3.48Å; F196-S199 WeakPolarHBondContact O-CB 3.45Å; F196-S199 PolarHBondContact O-N 3.4Å; F196-S199 PolarHBondContact O-OG 2.81Å; D197-S199 VanDerWaalsContact C-N 3.28Å; D197-S199 PolarHBondContact O-N 3.4Å; S199-V201 PolarHBondContact O-N 3.26Å
200S73.3Confident76.8Confident54 Ų5469.7 Ų69.738%0.37837%0.37SS..PPolyproline II helixtrans-67.7123.6-179.263.70000108.3H198 Q280H198-S200 PolarHBondContact O-N 2.91Å; S200-Q280 PolarHBondContact OG-NE2 2.95Å
201V82.9Confident77.8Confident9 Ų970.6 Ų70.66%0.05537%0.372CS..PPolyproline II helixtrans-51.8128.5-178.4-175.40000109.1V148 Y151 S199 A203 V205 V206 Q280V148-V201 HydrophobicContact CG2-CG2 3.99Å; Y151-V201 HydrophobicContact CD1-CG2 4.18Å; Y151-V201 HydrophobicContact CG-CG2 4.19Å; S199-V201 PolarHBondContact O-N 3.26Å; V201-A203 PolarHBondContact O-N 3.14Å; V201-V205 HydrophobicContact CG1-CB 3.86Å; V201-V205 HydrophobicContact CG1-CG1 3.99Å; V201-V206 HydrophobicContact CB-CG2 4.36Å; V201-V206 HydrophobicContact CG1-CG2 3.85Å; V201-Q280 PolarHBondContact O-NE2 2.84Å
202P85.5Confident79.1Confident45 Ų4569.5 Ų69.529%0.29238%0.378SS..PPolyproline II helixtrans-58.7136.5175.1-23.332.5000110.4Y151 T204 V205 V206Y151-P202 VanDerWaalsContact CZ-CD 3.47Å; Y151-P202 WeakPolarHBondContact OH-CD 3.4Å; Y151-P202 WeakPolarHBondContact OH-CG 3.41Å; P202-T204 PolarHBondContact O-N 3.2Å; P202-V205 HydrophobicContact CB-CG2 4.27Å; P202-V205 HydrophobicContact CG-CG2 4.33Å; P202-V205 WeakPolarHBondContact O-CB 3.34Å; P202-V205 PolarHBondContact O-N 2.92Å; P202-V206 PolarHBondContact O-N 3.17Å
203A87Confident80.5Confident25 Ų2563.5 Ų63.521%0.20736%0.356CS..Hα-helixtrans-56.5-27.9179.500000112.9V201 V205 V206 I207V201-A203 PolarHBondContact O-N 3.14Å; A203-V205 VanDerWaalsContact C-N 3.35Å; A203-V205 PolarHBondContact O-N 3.25Å; A203-V206 PolarHBondContact O-N 2.99Å; A203-I207 VanDerWaalsContact O-CG1 3.27Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 2.98Å
204T88.7Confident81.9Confident105 Ų10558.9 Ų58.964%0.64433%0.332SS*.Hα-helixtrans-63-37.8175.251.60000113P202 A208P202-T204 PolarHBondContact O-N 3.2Å; T204-A208 VanDerWaalsContact O-CB 3.31Å; T204-A208 WeakPolarHBondContact O-CB 3.17Å; T204-A208 PolarHBondContact O-N 2.74Å
205V90.8Very high83.4Confident52 Ų5255.7 Ų55.732%0.31532%0.318SS..Hα-helixtrans-67.5-42.3176.5177.30000109.8V201 P202 A203 A208 I209V201-V205 HydrophobicContact CG1-CB 3.86Å; V201-V205 HydrophobicContact CG1-CG1 3.99Å; P202-V205 HydrophobicContact CB-CG2 4.27Å; P202-V205 HydrophobicContact CG-CG2 4.33Å; P202-V205 WeakPolarHBondContact O-CB 3.34Å; P202-V205 PolarHBondContact O-N 2.92Å; A203-V205 VanDerWaalsContact C-N 3.35Å; A203-V205 PolarHBondContact O-N 3.25Å; V205-A208 PolarHBondContact O-N 3.44Å; V205-I209 HydrophobicContact CG1-CD1 4.13Å; V205-I209 WeakPolarHBondContact O-CG1 3.1Å; V205-I209 PolarHBondContact O-N 3.21Å
206V91.4Very high85Confident2 Ų254.5 Ų54.51%0.01232%0.315CS..Hα-helixtrans-64.2-44.1178.6-175.90000111.5V201 P202 A203 A208 I209 L210 C273 L276 V277V201-V206 HydrophobicContact CB-CG2 4.36Å; V201-V206 HydrophobicContact CG1-CG2 3.85Å; P202-V206 PolarHBondContact O-N 3.17Å; A203-V206 PolarHBondContact O-N 2.99Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 3.48Å; V206-I209 PolarHBondContact O-N 3.08Å; V206-L210 PolarHBondContact O-N 3.31Å; V206-C273 HydrophobicContact CG1-CB 3.71Å; V206-C273 WeakPolarHBondContact CG1-SG 3.47Å; V206-L276 HydrophobicContact CG2-CB 4.13Å; V206-L276 HydrophobicContact CG2-CD1 3.94Å; V206-V277 HydrophobicContact CB-CG2 3.98Å; V206-V277 HydrophobicContact CG1-CG2 3.71Å
207I92Very high86.6Confident96 Ų9652.9 Ų52.949%0.49231%0.308SS..Hα-helixtrans-63.4-39.4175.1-67.2165.2000110.8A203 I209 L210 F211A203-I207 VanDerWaalsContact O-CG1 3.27Å; A203-I207 WeakPolarHBondContact O-CG1 3.42Å; A203-I207 PolarHBondContact O-N 2.98Å; I207-I209 VanDerWaalsContact C-N 3.34Å; I207-I209 PolarHBondContact O-N 2.88Å; I207-L210 PolarHBondContact O-N 3.34Å; I207-F211 PolarHBondContact O-N 2.95Å
208A93.7Very high88.3Confident60 Ų6047.2 Ų47.250%0.49628%0.277SS..Hα-helixtrans-65.1-36.5176.100000112.5T204 V205 V206 G212T204-A208 VanDerWaalsContact O-CB 3.31Å; T204-A208 WeakPolarHBondContact O-CB 3.17Å; T204-A208 PolarHBondContact O-N 2.74Å; V205-A208 PolarHBondContact O-N 3.44Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 3.48Å; A208-G212 PolarHBondContact O-N 3.37Å
209I93.1Very high89.9Confident57 Ų5746.6 Ų46.629%0.29228%0.277SS..Hα-helixtrans-64.4-46.4173.7-69.2166.3000110.5L147 V205 V206 I207 F211 G212 Y213 I269 M272L147-I209 HydrophobicContact CD1-CD1 3.74Å; L147-I209 HydrophobicContact CD2-CD1 4.41Å; V205-I209 HydrophobicContact CG1-CD1 4.13Å; V205-I209 WeakPolarHBondContact O-CG1 3.1Å; V205-I209 PolarHBondContact O-N 3.21Å; V206-I209 PolarHBondContact O-N 3.08Å; I207-I209 VanDerWaalsContact C-N 3.34Å; I207-I209 PolarHBondContact O-N 2.88Å; I209-F211 PolarHBondContact O-N 3.39Å; I209-G212 PolarHBondContact O-N 3.46Å; I209-Y213 WeakPolarHBondContact O-CB 3.45Å; I209-Y213 PolarHBondContact O-N 2.92Å; I209-I269 HydrophobicContact CG2-CG2 4.31Å; I209-M272 HydrophobicContact CG2-CE 4.47Å
210L92.7Very high91.3Very high49 Ų4949.3 Ų49.326%0.25729%0.29SS..Hα-helixtrans-57.3-51176.5-171.490.1000110.8V206 I207 Y213 T214 T270 C273V206-L210 PolarHBondContact O-N 3.31Å; I207-L210 PolarHBondContact O-N 3.34Å; L210-Y213 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-N 3.36Å; L210-T214 PolarHBondContact O-OG1 2.9Å; L210-T270 HydrophobicContact CD1-CG2 3.85Å; L210-C273 HydrophobicContact CD1-CB 4.4Å
211F94.9Very high92.2Very high129 Ų12947 Ų4757%0.56627%0.273SS*.Hα-helixtrans-64.1-42.8180-171.4-97.9000112.2I207 I209 Y213 T214 A215 F233I207-F211 PolarHBondContact O-N 2.95Å; I209-F211 PolarHBondContact O-N 3.39Å; F211-Y213 VanDerWaalsContact C-N 3.31Å; F211-Y213 PolarHBondContact O-N 3.31Å; F211-T214 WeakPolarHBondContact CA-OG1 3.35Å; F211-T214 PolarHBondContact O-N 2.92Å; F211-T214 PolarHBondContact O-OG1 2.95Å; F211-A215 WeakPolarHBondContact O-CB 3.3Å; F211-A215 PolarHBondContact O-N 3.36Å; F211-F233 HydrophobicContact CD2-CZ 4.16Å; F211-F233 HydrophobicContact CE2-CE2 4.12Å; F211-F233 AromaticContact CE2-CZ 3.61Å; F211-F233 HydrophobicContact CE2-CZ 3.61Å; F211-F233 HydrophobicContact CZ-CE2 4.35Å; F211-F233 HydrophobicContact CZ-CZ 4.18Å
212G95.8Very high92.6Very high38 Ų3848.1 Ų48.139%0.39228%0.281SS..Hα-helixtrans-61.5-38.8175.900000112.5A208 I209 A215 L216A208-G212 PolarHBondContact O-N 3.37Å; I209-G212 PolarHBondContact O-N 3.46Å; G212-A215 PolarHBondContact O-N 3.49Å; G212-L216 WeakPolarHBondContact O-CB 3.43Å; G212-L216 PolarHBondContact O-N 2.78Å
213Y95.8Very high92.7Very high22 Ų2252 Ų529%0.08630%0.299CS..Hα-helixtrans-68-40.5175.6-173.2-97.1000112.6I209 L210 F211 A215 L216 G217 M240 Y262 L265 G266 I269I209-Y213 WeakPolarHBondContact O-CB 3.45Å; I209-Y213 PolarHBondContact O-N 2.92Å; L210-Y213 PolarHBondContact O-N 3.41Å; F211-Y213 VanDerWaalsContact C-N 3.31Å; F211-Y213 PolarHBondContact O-N 3.31Å; Y213-A215 VanDerWaalsContact C-N 3.32Å; Y213-L216 PolarHBondContact O-N 3.45Å; Y213-G217 PolarHBondContact O-N 2.88Å; Y213-M240 HydrophobicContact CD1-CG 4.2Å; Y213-M240 HydrophobicContact CD1-SD 3.91Å; Y213-M240 HydrophobicContact CE1-CE 4.46Å; Y213-M240 HydrophobicContact CE1-CG 4.24Å; Y213-M240 HydrophobicContact CE1-SD 3.46Å; Y213-M240 WeakPolarHBondContact CE1-SD 3.5Å; Y213-Y262 HydrophobicContact CD1-CE2 4.3Å; Y213-Y262 HydrophobicContact CE1-CD2 4.26Å; Y213-Y262 HydrophobicContact CE1-CE1 4.04Å; Y213-Y262 AromaticContact CE1-CE2 3.51Å; Y213-Y262 HydrophobicContact CE1-CE2 3.51Å; Y213-Y262 AromaticContact CE1-CZ 3.35Å; Y213-Y262 VanDerWaalsContact CE1-OH 3.28Å; Y213-Y262 WeakPolarHBondContact CE1-OH 3.1Å; Y213-Y262 HydrophobicContact CE2-CD2 4.38Å; Y213-Y262 AromaticContact CE2-CE2 3.94Å; Y213-Y262 HydrophobicContact CE2-CE2 3.94Å; Y213-Y262 AromaticContact CZ-CD2 3.73Å; Y213-Y262 AromaticContact CZ-CE2 3.32Å; Y213-Y262 AromaticContact CZ-CZ 3.7Å; Y213-Y262 PolarHBondContact O-OH 3.31Å; Y213-Y262 VanDerWaalsContact O-OH 3.06Å; Y213-Y262 WeakPolarHBondContact OH-CD2 3.2Å; Y213-Y262 VanDerWaalsContact OH-CE2 3.31Å; Y213-Y262 WeakPolarHBondContact OH-CE2 3.45Å; Y213-Y262 PolarHBondContact OH-O 3.03Å; Y213-L265 HydrophobicContact CE2-CD2 3.91Å; Y213-L265 HydrophobicContact CE2-CG 4.13Å; Y213-G266 PolarHBondContact OH-N 2.95Å; Y213-I269 HydrophobicContact CD1-CD1 4.23Å; Y213-I269 HydrophobicContact CD2-CD1 3.28Å; Y213-I269 HydrophobicContact CE1-CD1 4.36Å; Y213-I269 HydrophobicContact CE2-CD1 3.42Å; Y213-I269 VanDerWaalsContact CE2-CD1 3.42Å; Y213-I269 HydrophobicContact CG-CD1 3.7Å
214T94.8Very high92.8Very high3 Ų352.6 Ų52.62%0.01830%0.3CS..Hα-helixtrans-65.3-37.3173.752.30000112L210 F211 G217 G218 F233 S236 F237 M240L210-T214 PolarHBondContact O-N 3.36Å; L210-T214 PolarHBondContact O-OG1 2.9Å; F211-T214 WeakPolarHBondContact CA-OG1 3.35Å; F211-T214 PolarHBondContact O-N 2.92Å; F211-T214 PolarHBondContact O-OG1 2.95Å; T214-G217 PolarHBondContact O-N 2.8Å; T214-G218 PolarHBondContact O-N 3.29Å; T214-F233 WeakPolarHBondContact OG1-CE2 3.48Å; T214-S236 WeakPolarHBondContact CA-OG 3.4Å; T214-S236 PolarHBondContact O-OG 2.87Å; T214-F237 HydrophobicContact CG2-CD2 4.42Å; T214-M240 HydrophobicContact CG2-CB 4.27Å; T214-M240 HydrophobicContact CG2-CG 4.02Å
215A96Very high92.8Very high21 Ų2148.3 Ų48.317%0.17427%0.273CS..Hα-helixtrans-66-39.8174.800000112.3F211 G212 Y213 G218 L219 F233F211-A215 WeakPolarHBondContact O-CB 3.3Å; F211-A215 PolarHBondContact O-N 3.36Å; G212-A215 PolarHBondContact O-N 3.49Å; Y213-A215 VanDerWaalsContact C-N 3.32Å; A215-G218 PolarHBondContact O-N 2.97Å; A215-L219 PolarHBondContact O-N 3.25Å; A215-L219 VanDerWaalsContact O-N 3.11Å; A215-F233 HydrophobicContact CB-CE2 4.4Å
216L95.3Very high92.6Very high89 Ų8952.2 Ų52.247%0.46629%0.289SS..Hα-helixtrans-62.2-43172.9-179.965.9000111.2G212 Y213 G218 L219 L220G212-L216 WeakPolarHBondContact O-CB 3.43Å; G212-L216 PolarHBondContact O-N 2.78Å; Y213-L216 PolarHBondContact O-N 3.45Å; L216-G218 VanDerWaalsContact C-N 3.33Å; L216-G218 PolarHBondContact O-N 3.43Å; L216-L219 PolarHBondContact O-N 3.02Å; L216-L220 HydrophobicContact CG-CD1 4.37Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 3.12Å
217G93.9Very high92.5Very high0 Ų054.1 Ų54.10%030%0.296CS..Hα-helixtrans-56.7-46.7172.100000112.2Y213 T214 L219 L220 F221 Y262Y213-G217 PolarHBondContact O-N 2.88Å; T214-G217 PolarHBondContact O-N 2.8Å; G217-L219 VanDerWaalsContact C-N 3.29Å; G217-L219 PolarHBondContact O-N 2.98Å; G217-L220 PolarHBondContact O-N 3.28Å; G217-L220 VanDerWaalsContact O-N 3.1Å; G217-F221 WeakPolarHBondContact O-CD2 3.39Å; G217-F221 PolarHBondContact O-N 3.42Å; G217-Y262 VanDerWaalsContact CA-CZ 3.47Å; G217-Y262 VanDerWaalsContact CA-OH 3.22Å; G217-Y262 WeakPolarHBondContact CA-OH 3.41Å
218G94.4Very high92.7Very high0 Ų054.5 Ų54.50%030%0.299CS..Hα-helixtrans-54.5-42.4175.200000113.3T214 A215 L216 C222 A232T214-G218 PolarHBondContact O-N 3.29Å; A215-G218 PolarHBondContact O-N 2.97Å; L216-G218 VanDerWaalsContact C-N 3.33Å; L216-G218 PolarHBondContact O-N 3.43Å; G218-C222 WeakPolarHBondContact O-CB 3.1Å; G218-C222 PolarHBondContact O-N 3.38Å; G218-A232 VanDerWaalsContact O-CB 3.27Å; G218-A232 WeakPolarHBondContact O-CB 3.43Å
219L94.1Very high92.8Very high97 Ų9756.2 Ų56.251%0.50829%0.294SS..Hα-helixtrans-68-39.1176.1-67.3175.9000112.8A215 L216 G217 N223 Y229A215-L219 PolarHBondContact O-N 3.25Å; A215-L219 VanDerWaalsContact O-N 3.11Å; L216-L219 PolarHBondContact O-N 3.02Å; G217-L219 VanDerWaalsContact C-N 3.29Å; G217-L219 PolarHBondContact O-N 2.98Å; L219-N223 PolarHBondContact O-ND2 3.33Å; L219-N223 VanDerWaalsContact O-ND2 3.07Å; L219-Y229 HydrophobicContact CD2-CD2 3.98Å; L219-Y229 HydrophobicContact CD2-CE2 3.65Å; L219-Y229 HydrophobicContact CG-CE2 3.92Å
220L91.8Very high92.9Very high83 Ų8360.3 Ų60.344%0.43531%0.31SS..Hα-helixtrans-66-52.5178.2-69172.9000111L216 G217 N223 T224 Y262L216-L220 HydrophobicContact CG-CD1 4.37Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 3.12Å; G217-L220 PolarHBondContact O-N 3.28Å; G217-L220 VanDerWaalsContact O-N 3.1Å; L220-N223 PolarHBondContact O-N 2.73Å; L220-T224 WeakPolarHBondContact O-CG2 3.19Å; L220-T224 PolarHBondContact O-N 3.27Å; L220-T224 PolarHBondContact O-OG1 3.43Å; L220-Y262 HydrophobicContact CD1-CD2 3.98Å; L220-Y262 HydrophobicContact CD1-CE2 4.32Å
221F91.7Very high93.1Very high5 Ų562.1 Ų62.12%0.02232%0.317CS..Hα-helixtrans-71.6-30.9-175.8-68.2-65.3000113.5G217 N223 T224 E225 W227 A232 F235 I259 Y262G217-F221 WeakPolarHBondContact O-CD2 3.39Å; G217-F221 PolarHBondContact O-N 3.42Å; F221-N223 VanDerWaalsContact C-N 3.29Å; F221-N223 PolarHBondContact O-N 2.92Å; F221-T224 WeakPolarHBondContact CA-OG1 3.3Å; F221-T224 PolarHBondContact O-N 2.88Å; F221-E225 PolarHBondContact O-N 3.26Å; F221-W227 HydrophobicContact CB-CE3 4.14Å; F221-W227 HydrophobicContact CB-CZ3 4.23Å; F221-A232 HydrophobicContact CB-CB 3.82Å; F221-F235 HydrophobicContact CD1-CD1 4.29Å; F221-F235 HydrophobicContact CD1-CE1 4.05Å; F221-F235 AromaticContact CD2-CD1 3.77Å; F221-F235 HydrophobicContact CD2-CD1 3.77Å; F221-F235 AromaticContact CD2-CE1 3.97Å; F221-F235 HydrophobicContact CD2-CE1 3.97Å; F221-F235 HydrophobicContact CE1-CD1 4.41Å; F221-F235 AromaticContact CE1-CE1 3.76Å; F221-F235 HydrophobicContact CE1-CE1 3.76Å; F221-F235 AromaticContact CE2-CD1 3.94Å; F221-F235 HydrophobicContact CE2-CD1 3.94Å; F221-F235 AromaticContact CE2-CE1 3.71Å; F221-F235 HydrophobicContact CE2-CE1 3.71Å; F221-F235 AromaticContact CG-CD1 3.99Å; F221-F235 HydrophobicContact CG-CD1 3.99Å; F221-F235 HydrophobicContact CG-CE1 4.16Å; F221-F235 HydrophobicContact CZ-CD1 4.28Å; F221-F235 AromaticContact CZ-CE1 3.62Å; F221-F235 HydrophobicContact CZ-CE1 3.62Å; F221-I259 HydrophobicContact CE1-CB 4.36Å; F221-I259 HydrophobicContact CE1-CD1 4.17Å; F221-I259 HydrophobicContact CE1-CG1 3.84Å; F221-I259 HydrophobicContact CE1-CG2 3.95Å; F221-I259 HydrophobicContact CZ-CG2 4.21Å; F221-Y262 AromaticContact CE2-CD1 3.63Å; F221-Y262 HydrophobicContact CE2-CD1 3.63Å; F221-Y262 AromaticContact CE2-CE1 3.61Å; F221-Y262 HydrophobicContact CE2-CE1 3.61Å; F221-Y262 HydrophobicContact CE2-CG 4.3Å; F221-Y262 AromaticContact CZ-CD1 3.76Å; F221-Y262 HydrophobicContact CZ-CD1 3.76Å; F221-Y262 HydrophobicContact CZ-CE1 4.21Å; F221-Y262 HydrophobicContact CZ-CG 4.32Å
222C91.6Very high93.1Very high33 Ų3356 Ų5622%0.22329%0.29CS..Hα-helixtrans-58.5-43.2172.4179.20000111.2G218 M226 W227 A232G218-C222 WeakPolarHBondContact O-CB 3.1Å; G218-C222 PolarHBondContact O-N 3.38Å; C222-M226 VanDerWaalsContact O-CA 3.25Å; C222-M226 WeakPolarHBondContact O-CA 3.42Å; C222-M226 PolarHBondContact O-N 2.93Å; C222-W227 PolarHBondContact SG-O 3.11Å; C222-A232 HydrophobicContact CB-CB 4.02Å
223N88.2Confident93.1Very high126 Ų12655.8 Ų55.867%0.67428%0.278SS*.Hα-helixtrans-77.3-37.3179.9-68.7-35.6000113.2L219 L220 F221L219-N223 PolarHBondContact O-ND2 3.33Å; L219-N223 VanDerWaalsContact O-ND2 3.07Å; L220-N223 PolarHBondContact O-N 2.73Å; F221-N223 VanDerWaalsContact C-N 3.29Å; F221-N223 PolarHBondContact O-N 2.92Å
224T87.7Confident93.1Very high38 Ų3858 Ų5823%0.23329%0.287CS..Hα-helixtrans-79.4-45.5-175.757.70000112.9L220 F221 R252L220-T224 WeakPolarHBondContact O-CG2 3.19Å; L220-T224 PolarHBondContact O-N 3.27Å; L220-T224 PolarHBondContact O-OG1 3.43Å; F221-T224 WeakPolarHBondContact CA-OG1 3.3Å; F221-T224 PolarHBondContact O-N 2.88Å; T224-R252 WeakPolarHBondContact O-CD 3.37Å; T224-R252 PolarHBondContact O-NH1 3.12Å
225E88.3Confident93.1Very high14 Ų1458 Ų587%0.06529%0.286CS..Hα-helixtrans-96.7-5.3-175.3-64.8-65.7147.400113F221 W227 P250 R251 R252F221-E225 PolarHBondContact O-N 3.26Å; E225-W227 HydrophobicContact CB-CD2 3.58Å; E225-W227 VanDerWaalsContact CB-CE2 3.47Å; E225-W227 HydrophobicContact CB-CE3 4.04Å; E225-W227 HydrophobicContact CB-CG 3.94Å; E225-W227 HydrophobicContact CB-CH2 4.31Å; E225-W227 HydrophobicContact CB-CZ2 3.87Å; E225-W227 HydrophobicContact CB-CZ3 4.38Å; E225-W227 HydrophobicContact CG-CD2 4.34Å; E225-W227 HydrophobicContact CG-CE3 4.44Å; E225-W227 HydrophobicContact CG-CH2 4.03Å; E225-W227 HydrophobicContact CG-CZ2 3.89Å; E225-W227 HydrophobicContact CG-CZ3 4.3Å; E225-W227 PolarHBondContact O-N 3.47Å; E225-P250 VanDerWaalsContact CD-CA 3.5Å; E225-P250 HydrophobicContact CG-CB 4.05Å; E225-P250 VanDerWaalsContact OE1-CB 3.26Å; E225-P250 WeakPolarHBondContact OE1-CB 3.28Å; E225-R251 PolarHBondContact OE2-N 3.41Å; E225-R251 VanDerWaalsContact OE2-N 3.16Å; E225-R252 PolarHBondContact OE1-N 2.83Å; E225-R252 PolarHBondContact OE2-N 3.43Å
226M87.3Confident93.1Very high135 Ų13557 Ų5767%0.66528%0.278SS*.  trans60.829.4-176.2-57.4-72.4-66.200113.3C222C222-M226 VanDerWaalsContact O-CA 3.25Å; C222-M226 WeakPolarHBondContact O-CA 3.42Å; C222-M226 PolarHBondContact O-N 2.93Å
227W90.4Very high93.1Very high41 Ų4156.7 Ų56.716%0.15527%0.273CS..  trans-78.7159.1173.1-61.4-24.1000111.3F221 C222 E225 E231 A232 F235 L248F221-W227 HydrophobicContact CB-CE3 4.14Å; F221-W227 HydrophobicContact CB-CZ3 4.23Å; C222-W227 PolarHBondContact SG-O 3.11Å; E225-W227 HydrophobicContact CB-CD2 3.58Å; E225-W227 VanDerWaalsContact CB-CE2 3.47Å; E225-W227 HydrophobicContact CB-CE3 4.04Å; E225-W227 HydrophobicContact CB-CG 3.94Å; E225-W227 HydrophobicContact CB-CH2 4.31Å; E225-W227 HydrophobicContact CB-CZ2 3.87Å; E225-W227 HydrophobicContact CB-CZ3 4.38Å; E225-W227 HydrophobicContact CG-CD2 4.34Å; E225-W227 HydrophobicContact CG-CE3 4.44Å; E225-W227 HydrophobicContact CG-CH2 4.03Å; E225-W227 HydrophobicContact CG-CZ2 3.89Å; E225-W227 HydrophobicContact CG-CZ3 4.3Å; E225-W227 PolarHBondContact O-N 3.47Å; W227-E231 HydrophobicContact CB-CB 4.21Å; W227-A232 HydrophobicContact CB-CB 4.37Å; W227-A232 HydrophobicContact CE3-CB 4.36Å; W227-F235 HydrophobicContact CE3-CB 4.43Å; W227-F235 HydrophobicContact CH2-CD1 4.36Å; W227-F235 HydrophobicContact CH2-CD2 4.3Å; W227-F235 HydrophobicContact CH2-CG 4.17Å; W227-F235 HydrophobicContact CZ3-CB 3.86Å; W227-F235 AromaticContact CZ3-CD1 3.69Å; W227-F235 HydrophobicContact CZ3-CD1 3.69Å; W227-F235 HydrophobicContact CZ3-CD2 4.2Å; W227-F235 HydrophobicContact CZ3-CE1 4.3Å; W227-F235 AromaticContact CZ3-CG 3.62Å; W227-F235 HydrophobicContact CZ3-CG 3.62Å; W227-L248 HydrophobicContact CH2-CB 4.2Å; W227-L248 HydrophobicContact CZ2-CB 4.43Å; W227-L248 HydrophobicContact CZ3-CB 4.49Å
228N94.9Very high93.1Very high105 Ų10556.8 Ų56.856%0.56127%0.274SS*.  trans-60.7147.5167.2-170.95.8000109.4F230 E231 A232N228-F230 PolarHBondContact O-N 3.29Å; N228-F230 VanDerWaalsContact O-N 3.16Å; N228-E231 HydrophobicContact CB-CB 4.39Å; N228-E231 HydrophobicContact CB-CG 4.1Å; N228-E231 WeakPolarHBondContact CB-OE2 3.43Å; N228-E231 PolarHBondContact N-OE2 3.28Å; N228-E231 WeakPolarHBondContact O-CB 3.46Å; N228-E231 PolarHBondContact O-N 3.4Å; N228-A232 PolarHBondContact O-N 3.07Å
229Y96Very high93.1Very high96 Ų9656.8 Ų56.838%0.37627%0.274SS..Hα-helixtrans-53.9-40-179.8174.8-102.3000112.1L219 A232 F233L219-Y229 HydrophobicContact CD2-CD2 3.98Å; L219-Y229 HydrophobicContact CD2-CE2 3.65Å; L219-Y229 HydrophobicContact CG-CE2 3.92Å; Y229-A232 PolarHBondContact O-N 3.31Å; Y229-F233 VanDerWaalsContact O-CB 3.3Å; Y229-F233 WeakPolarHBondContact O-CB 3.13Å; Y229-F233 PolarHBondContact O-N 3.21Å
230F96.4Very high93Very high143 Ų14352.2 Ų52.263%0.62725%0.25SS*.Hα-helixtrans-67.3-39.8178.5-175.2-102.1000112.9N228 F233 Y234N228-F230 PolarHBondContact O-N 3.29Å; N228-F230 VanDerWaalsContact O-N 3.16Å; F230-F233 PolarHBondContact O-N 2.88Å; F230-Y234 VanDerWaalsContact O-CB 3.24Å; F230-Y234 WeakPolarHBondContact O-CB 3.49Å; F230-Y234 PolarHBondContact O-N 2.83Å
231E95.6Very high93Very high87 Ų8750.6 Ų50.641%0.40724%0.243SC..Hα-helixtrans-65.4-42.6175.8-68.2174.2149.900111W227 N228 Y234 F235 L248W227-E231 HydrophobicContact CB-CB 4.21Å; N228-E231 HydrophobicContact CB-CB 4.39Å; N228-E231 HydrophobicContact CB-CG 4.1Å; N228-E231 WeakPolarHBondContact CB-OE2 3.43Å; N228-E231 PolarHBondContact N-OE2 3.28Å; N228-E231 WeakPolarHBondContact O-CB 3.46Å; N228-E231 PolarHBondContact O-N 3.4Å; E231-Y234 PolarHBondContact O-N 2.97Å; E231-F235 WeakPolarHBondContact O-CB 3.4Å; E231-F235 PolarHBondContact O-N 3.29Å; E231-L248 HydrophobicContact CB-CD1 3.81Å; E231-L248 HydrophobicContact CG-CD1 4.49Å; E231-L248 WeakPolarHBondContact O-CD1 3.33Å
232A95.5Very high93.1Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-63.9-41.4174.600000112.5G218 F221 C222 W227 N228 Y229 S236G218-A232 VanDerWaalsContact O-CB 3.27Å; G218-A232 WeakPolarHBondContact O-CB 3.43Å; F221-A232 HydrophobicContact CB-CB 3.82Å; C222-A232 HydrophobicContact CB-CB 4.02Å; W227-A232 HydrophobicContact CB-CB 4.37Å; W227-A232 HydrophobicContact CE3-CB 4.36Å; N228-A232 PolarHBondContact O-N 3.07Å; Y229-A232 PolarHBondContact O-N 3.31Å; A232-S236 WeakPolarHBondContact O-CB 3.45Å; A232-S236 PolarHBondContact O-N 3.08Å
233F96.1Very high93.2Very high34 Ų3455.4 Ų55.415%0.14927%0.268CS..Hα-helixtrans-63.8-45.3173.6176.9-91.8000111.4F211 T214 A215 Y229 F230 S236 F237F211-F233 HydrophobicContact CD2-CZ 4.16Å; F211-F233 HydrophobicContact CE2-CE2 4.12Å; F211-F233 AromaticContact CE2-CZ 3.61Å; F211-F233 HydrophobicContact CE2-CZ 3.61Å; F211-F233 HydrophobicContact CZ-CE2 4.35Å; F211-F233 HydrophobicContact CZ-CZ 4.18Å; T214-F233 WeakPolarHBondContact OG1-CE2 3.48Å; A215-F233 HydrophobicContact CB-CE2 4.4Å; Y229-F233 VanDerWaalsContact O-CB 3.3Å; Y229-F233 WeakPolarHBondContact O-CB 3.13Å; Y229-F233 PolarHBondContact O-N 3.21Å; F230-F233 PolarHBondContact O-N 2.88Å; F233-S236 WeakPolarHBondContact O-CB 3.47Å; F233-S236 PolarHBondContact O-N 3.39Å; F233-F237 WeakPolarHBondContact O-CB 3.42Å; F233-F237 PolarHBondContact O-N 2.95Å
234Y96.2Very high93.4Very high69 Ų6949.6 Ų49.627%0.27124%0.239SC..Hα-helixtrans-60-48.1176.6164.4-96.7000111.1F230 E231 S236 F237 I238 F245 D247 L248F230-Y234 VanDerWaalsContact O-CB 3.24Å; F230-Y234 WeakPolarHBondContact O-CB 3.49Å; F230-Y234 PolarHBondContact O-N 2.83Å; E231-Y234 PolarHBondContact O-N 2.97Å; Y234-S236 VanDerWaalsContact C-N 3.34Å; Y234-S236 PolarHBondContact O-N 3.49Å; Y234-F237 PolarHBondContact O-N 3.33Å; Y234-F237 VanDerWaalsContact O-N 3.17Å; Y234-I238 HydrophobicContact CD1-CD1 4.39Å; Y234-I238 HydrophobicContact CD2-CG2 4.08Å; Y234-I238 HydrophobicContact CE1-CD1 3.83Å; Y234-I238 HydrophobicContact CE1-CG2 4.47Å; Y234-I238 HydrophobicContact CE2-CG2 3.7Å; Y234-I238 WeakPolarHBondContact O-CG1 3.22Å; Y234-I238 PolarHBondContact O-N 3.04Å; Y234-F245 WeakPolarHBondContact OH-CD2 3.15Å; Y234-D247 WeakPolarHBondContact CE1-OD2 3.45Å; Y234-D247 VanDerWaalsContact CZ-OD2 3.29Å; Y234-D247 PolarHBondContact OH-OD2 3.49Å; Y234-L248 HydrophobicContact CD1-CD1 3.94Å; Y234-L248 HydrophobicContact CE1-CD1 4.35Å
235F94.8Very high93.7Very high1 Ų154.4 Ų54.40%0.00426%0.257CS..Hα-helixtrans-55.7-48.3173.8170.5-102.3000111.7F107 F221 W227 E231 F237 I238 T239 L248 P250F107-F235 AromaticContact CE1-CE2 3.92Å; F107-F235 HydrophobicContact CE1-CE2 3.92Å; F107-F235 AromaticContact CZ-CE2 3.74Å; F107-F235 HydrophobicContact CZ-CE2 3.74Å; F107-F235 HydrophobicContact CZ-CZ 4.19Å; F221-F235 HydrophobicContact CD1-CD1 4.29Å; F221-F235 HydrophobicContact CD1-CE1 4.05Å; F221-F235 AromaticContact CD2-CD1 3.77Å; F221-F235 HydrophobicContact CD2-CD1 3.77Å; F221-F235 AromaticContact CD2-CE1 3.97Å; F221-F235 HydrophobicContact CD2-CE1 3.97Å; F221-F235 HydrophobicContact CE1-CD1 4.41Å; F221-F235 AromaticContact CE1-CE1 3.76Å; F221-F235 HydrophobicContact CE1-CE1 3.76Å; F221-F235 AromaticContact CE2-CD1 3.94Å; F221-F235 HydrophobicContact CE2-CD1 3.94Å; F221-F235 AromaticContact CE2-CE1 3.71Å; F221-F235 HydrophobicContact CE2-CE1 3.71Å; F221-F235 AromaticContact CG-CD1 3.99Å; F221-F235 HydrophobicContact CG-CD1 3.99Å; F221-F235 HydrophobicContact CG-CE1 4.16Å; F221-F235 HydrophobicContact CZ-CD1 4.28Å; F221-F235 AromaticContact CZ-CE1 3.62Å; F221-F235 HydrophobicContact CZ-CE1 3.62Å; W227-F235 HydrophobicContact CE3-CB 4.43Å; W227-F235 HydrophobicContact CH2-CD1 4.36Å; W227-F235 HydrophobicContact CH2-CD2 4.3Å; W227-F235 HydrophobicContact CH2-CG 4.17Å; W227-F235 HydrophobicContact CZ3-CB 3.86Å; W227-F235 AromaticContact CZ3-CD1 3.69Å; W227-F235 HydrophobicContact CZ3-CD1 3.69Å; W227-F235 HydrophobicContact CZ3-CD2 4.2Å; W227-F235 HydrophobicContact CZ3-CE1 4.3Å; W227-F235 AromaticContact CZ3-CG 3.62Å; W227-F235 HydrophobicContact CZ3-CG 3.62Å; E231-F235 WeakPolarHBondContact O-CB 3.4Å; E231-F235 PolarHBondContact O-N 3.29Å; F235-F237 PolarHBondContact O-N 3Å; F235-I238 VanDerWaalsContact O-CG1 3.24Å; F235-I238 WeakPolarHBondContact O-CG1 3.34Å; F235-T239 VanDerWaalsContact O-CB 3.25Å; F235-T239 WeakPolarHBondContact O-CB 3.24Å; F235-T239 PolarHBondContact O-N 3.02Å; F235-T239 PolarHBondContact O-OG1 3.1Å; F235-L248 HydrophobicContact CB-CB 4.25Å; F235-L248 HydrophobicContact CB-CD1 4.32Å; F235-L248 HydrophobicContact CD2-CB 4.08Å; F235-L248 WeakPolarHBondContact CD2-O 3.4Å; F235-L248 WeakPolarHBondContact CE2-O 3.07Å; F235-P250 HydrophobicContact CZ-CG 4.29Å
236S94.8Very high93.7Very high0 Ų054.5 Ų54.50%026%0.261CS..Hα-helixtrans-58.1-48.2176.6171.20000111T214 A232 F233 Y234 T239 M240 Y262T214-S236 WeakPolarHBondContact CA-OG 3.4Å; T214-S236 PolarHBondContact O-OG 2.87Å; A232-S236 WeakPolarHBondContact O-CB 3.45Å; A232-S236 PolarHBondContact O-N 3.08Å; F233-S236 WeakPolarHBondContact O-CB 3.47Å; F233-S236 PolarHBondContact O-N 3.39Å; Y234-S236 VanDerWaalsContact C-N 3.34Å; Y234-S236 PolarHBondContact O-N 3.49Å; S236-T239 PolarHBondContact O-N 3.35Å; S236-M240 WeakPolarHBondContact O-CB 3.29Å; S236-M240 WeakPolarHBondContact O-CG 3.22Å; S236-M240 PolarHBondContact O-N 3.28Å; S236-Y262 PolarHBondContact OG-OH 3.06Å
237F95.2Very high93.9Very high83 Ų8352.4 Ų52.436%0.36425%0.252SS..Hα-helixtrans-60.8-50.1-179.8179.6-96.4000113T214 F233 Y234 F235 T239 M240 T241 I243T214-F237 HydrophobicContact CG2-CD2 4.42Å; F233-F237 WeakPolarHBondContact O-CB 3.42Å; F233-F237 PolarHBondContact O-N 2.95Å; Y234-F237 PolarHBondContact O-N 3.33Å; Y234-F237 VanDerWaalsContact O-N 3.17Å; F235-F237 PolarHBondContact O-N 3Å; F237-T239 PolarHBondContact O-N 2.92Å; F237-M240 PolarHBondContact O-N 3.29Å; F237-T241 HydrophobicContact CD1-CG2 4.47Å; F237-T241 HydrophobicContact CD2-CG2 4.17Å; F237-T241 HydrophobicContact CE1-CG2 4.09Å; F237-T241 HydrophobicContact CE2-CG2 3.76Å; F237-T241 HydrophobicContact CZ-CG2 3.72Å; F237-T241 WeakPolarHBondContact O-CB 3.5Å; F237-T241 WeakPolarHBondContact O-CG2 3.4Å; F237-T241 PolarHBondContact O-N 2.89Å; F237-T241 PolarHBondContact O-OG1 3.18Å; F237-I243 HydrophobicContact CE1-CD1 4.43Å
238I94.9Very high93.9Very high2 Ų252.1 Ų52.11%0.0125%0.254CS..Hα-helixtrans-65.4-29.1-179.865.5176.4000112.2Y234 F235 T241 T242 I243 G244 F245Y234-I238 HydrophobicContact CD1-CD1 4.39Å; Y234-I238 HydrophobicContact CD2-CG2 4.08Å; Y234-I238 HydrophobicContact CE1-CD1 3.83Å; Y234-I238 HydrophobicContact CE1-CG2 4.47Å; Y234-I238 HydrophobicContact CE2-CG2 3.7Å; Y234-I238 WeakPolarHBondContact O-CG1 3.22Å; Y234-I238 PolarHBondContact O-N 3.04Å; F235-I238 VanDerWaalsContact O-CG1 3.24Å; F235-I238 WeakPolarHBondContact O-CG1 3.34Å; I238-T241 WeakPolarHBondContact CA-OG1 3.46Å; I238-T242 PolarHBondContact O-N 2.96Å; I238-I243 HydrophobicContact CB-CB 4.35Å; I238-I243 PolarHBondContact O-N 2.94Å; I238-G244 PolarHBondContact O-N 3.29Å; I238-G244 VanDerWaalsContact O-N 3.11Å; I238-F245 HydrophobicContact CD1-CB 4.5Å; I238-F245 HydrophobicContact CG2-CD2 4.12Å; I238-F245 HydrophobicContact CG2-CE2 4.44Å
239T93.9Very high93.6Very high0 Ų048.2 Ų48.20%023%0.233CC..Hα-helixtrans-73.7-46.5176.2-57.10000110.6I105 F107 F235 S236 F237 T242 I263I105-T239 HydrophobicContact CD1-CG2 4Å; F107-T239 HydrophobicContact CZ-CG2 4.02Å; F107-T239 WeakPolarHBondContact CZ-OG1 3.36Å; F235-T239 VanDerWaalsContact O-CB 3.25Å; F235-T239 WeakPolarHBondContact O-CB 3.24Å; F235-T239 PolarHBondContact O-N 3.02Å; F235-T239 PolarHBondContact O-OG1 3.1Å; S236-T239 PolarHBondContact O-N 3.35Å; F237-T239 PolarHBondContact O-N 2.92Å; T239-T242 PolarHBondContact O-N 2.9Å; T239-I263 HydrophobicContact CG2-CD1 4.28Å; T239-I263 HydrophobicContact CG2-CG1 3.89Å; T239-I263 HydrophobicContact CG2-CG2 4.5Å
240M92.2Very high93.1Very high2 Ų243.9 Ų43.91%0.0122%0.217CC..Hα-helixtrans-66.4-39179.9-70.2-5198.400112.7Y213 T214 S236 F237 T242 Y262 G266 T270Y213-M240 HydrophobicContact CD1-CG 4.2Å; Y213-M240 HydrophobicContact CD1-SD 3.91Å; Y213-M240 HydrophobicContact CE1-CE 4.46Å; Y213-M240 HydrophobicContact CE1-CG 4.24Å; Y213-M240 HydrophobicContact CE1-SD 3.46Å; Y213-M240 WeakPolarHBondContact CE1-SD 3.5Å; T214-M240 HydrophobicContact CG2-CB 4.27Å; T214-M240 HydrophobicContact CG2-CG 4.02Å; S236-M240 WeakPolarHBondContact O-CB 3.29Å; S236-M240 WeakPolarHBondContact O-CG 3.22Å; S236-M240 PolarHBondContact O-N 3.28Å; F237-M240 PolarHBondContact O-N 3.29Å; M240-T242 PolarHBondContact O-N 3.31Å; M240-Y262 HydrophobicContact CE-CD1 4.25Å; M240-Y262 HydrophobicContact CE-CE1 3.76Å; M240-Y262 HydrophobicContact SD-CE1 4.42Å; M240-G266 VanDerWaalsContact SD-C 3.51Å; M240-G266 WeakPolarHBondContact SD-CA 3.2Å; M240-T270 HydrophobicContact CB-CG2 3.99Å; M240-T270 WeakPolarHBondContact O-CG2 3.32Å
241T91.8Very high92.3Very high48 Ų4845 Ų4529%0.29422%0.217SC..THydrogen-bonded Turntrans-802.4177.253.60000113.2F237 I238 I243F237-T241 HydrophobicContact CD1-CG2 4.47Å; F237-T241 HydrophobicContact CD2-CG2 4.17Å; F237-T241 HydrophobicContact CE1-CG2 4.09Å; F237-T241 HydrophobicContact CE2-CG2 3.76Å; F237-T241 HydrophobicContact CZ-CG2 3.72Å; F237-T241 WeakPolarHBondContact O-CB 3.5Å; F237-T241 WeakPolarHBondContact O-CG2 3.4Å; F237-T241 PolarHBondContact O-N 2.89Å; F237-T241 PolarHBondContact O-OG1 3.18Å; I238-T241 WeakPolarHBondContact CA-OG1 3.46Å; T241-I243 PolarHBondContact O-N 3.49Å; T241-I243 VanDerWaalsContact OG1-CD1 3.29Å; T241-I243 WeakPolarHBondContact OG1-CD1 3.28Å; T241-I243 WeakPolarHBondContact OG1-CG1 3.37Å
242T92.7Very high91.3Very high57 Ų5746.9 Ų46.935%0.3522%0.22SC..THydrogen-bonded Turntrans56.827-178.460.10000113.7I105 I238 T239 M240 L267I105-T242 HydrophobicContact CG1-CG2 4.08Å; I238-T242 PolarHBondContact O-N 2.96Å; T239-T242 PolarHBondContact O-N 2.9Å; M240-T242 PolarHBondContact O-N 3.31Å; T242-L267 HydrophobicContact CG2-CD2 3.52Å
243I94.4Very high90.1Very high82 Ų8249.2 Ų49.242%0.42124%0.244SC..  trans-76.7-46.5175-63.1171.7000110.3F237 I238 T241 F245F237-I243 HydrophobicContact CE1-CD1 4.43Å; I238-I243 HydrophobicContact CB-CB 4.35Å; I238-I243 PolarHBondContact O-N 2.94Å; T241-I243 PolarHBondContact O-N 3.49Å; T241-I243 VanDerWaalsContact OG1-CD1 3.29Å; T241-I243 WeakPolarHBondContact OG1-CD1 3.28Å; T241-I243 WeakPolarHBondContact OG1-CG1 3.37Å; I243-F245 HydrophobicContact CG2-CD1 4.17Å; I243-F245 HydrophobicContact CG2-CD2 3.82Å; I243-F245 HydrophobicContact CG2-CE1 3.85Å; I243-F245 HydrophobicContact CG2-CE2 3.48Å; I243-F245 VanDerWaalsContact CG2-CE2 3.48Å; I243-F245 HydrophobicContact CG2-CG 4.16Å; I243-F245 HydrophobicContact CG2-CZ 3.49Å; I243-F245 VanDerWaalsContact CG2-CZ 3.49Å; I243-F245 PolarHBondContact O-N 2.88Å
244G92.9Very high88.9Confident5 Ų552.6 Ų52.65%0.05227%0.272CS..  trans59.846.1166.800000116.9F107 I238 G246F107-G244 WeakPolarHBondContact CA-O 3.45Å; I238-G244 PolarHBondContact O-N 3.29Å; I238-G244 VanDerWaalsContact O-N 3.11Å; G244-G246 PolarHBondContact O-N 2.96Å; G244-G246 VanDerWaalsContact O-N 3.14Å
245F92.5Very high88.2Confident139 Ų13953 Ų5361%0.6128%0.279SS*.  trans-56.7-30.4-179.1-70.4-56.8000115.2Y234 I238 I243 D247Y234-F245 WeakPolarHBondContact OH-CD2 3.15Å; I238-F245 HydrophobicContact CD1-CB 4.5Å; I238-F245 HydrophobicContact CG2-CD2 4.12Å; I238-F245 HydrophobicContact CG2-CE2 4.44Å; I243-F245 HydrophobicContact CG2-CD1 4.17Å; I243-F245 HydrophobicContact CG2-CD2 3.82Å; I243-F245 HydrophobicContact CG2-CE1 3.85Å; I243-F245 HydrophobicContact CG2-CE2 3.48Å; I243-F245 VanDerWaalsContact CG2-CE2 3.48Å; I243-F245 HydrophobicContact CG2-CG 4.16Å; I243-F245 HydrophobicContact CG2-CZ 3.49Å; I243-F245 VanDerWaalsContact CG2-CZ 3.49Å; I243-F245 PolarHBondContact O-N 2.88Å; F245-D247 VanDerWaalsContact C-N 3.3Å; F245-D247 PolarHBondContact O-N 3.37Å
246G89.5Confident87.6Confident15 Ų1553.7 Ų53.716%0.15528%0.282CS..  trans77.912.7175.600000115.5F107 G244 I249F107-G246 WeakPolarHBondContact O-CA 3.4Å; G244-G246 PolarHBondContact O-N 2.96Å; G244-G246 VanDerWaalsContact O-N 3.14Å; G246-I249 WeakPolarHBondContact O-CD1 3.42Å
247D90.6Very high87.2Confident91 Ų9159.6 Ų59.649%0.48731%0.312SS..SBendtrans-68.1-39.6170.254.4-16.5000112.2Y234 F245Y234-D247 WeakPolarHBondContact CE1-OD2 3.45Å; Y234-D247 VanDerWaalsContact CZ-OD2 3.29Å; Y234-D247 PolarHBondContact OH-OD2 3.49Å; F245-D247 VanDerWaalsContact C-N 3.3Å; F245-D247 PolarHBondContact O-N 3.37Å
248L90.6Very high86.8Confident36 Ų3657.7 Ų57.719%0.18832%0.316CS..SBendtrans-115.3125.2172.9-62.7179.7000110.2W227 E231 Y234 F235W227-L248 HydrophobicContact CH2-CB 4.2Å; W227-L248 HydrophobicContact CZ2-CB 4.43Å; W227-L248 HydrophobicContact CZ3-CB 4.49Å; E231-L248 HydrophobicContact CB-CD1 3.81Å; E231-L248 HydrophobicContact CG-CD1 4.49Å; E231-L248 WeakPolarHBondContact O-CD1 3.33Å; Y234-L248 HydrophobicContact CD1-CD1 3.94Å; Y234-L248 HydrophobicContact CE1-CD1 4.35Å; F235-L248 HydrophobicContact CB-CB 4.25Å; F235-L248 HydrophobicContact CB-CD1 4.32Å; F235-L248 HydrophobicContact CD2-CB 4.08Å; F235-L248 WeakPolarHBondContact CD2-O 3.4Å; F235-L248 WeakPolarHBondContact CE2-O 3.07Å
249I88.2Confident86.6Confident23 Ų2357.9 Ų57.912%0.11832%0.317CS..  trans-142.8133.6179.8-57.3175.6000108F96 F107 N109 G246 R251F96-I249 HydrophobicContact CD1-CG2 4.31Å; F96-I249 HydrophobicContact CE1-CG2 3.58Å; F96-I249 HydrophobicContact CZ-CG2 4.06Å; F107-I249 HydrophobicContact CB-CD1 3.62Å; F107-I249 HydrophobicContact CB-CG1 4.09Å; F107-I249 HydrophobicContact CD1-CG1 4.42Å; F107-I249 HydrophobicContact CG-CD1 4.26Å; F107-I249 HydrophobicContact CG-CG1 4.2Å; N109-I249 HydrophobicContact CB-CD1 3.67Å; N109-I249 VanDerWaalsContact O-CD1 3.23Å; N109-I249 WeakPolarHBondContact O-CD1 3.49Å; G246-I249 WeakPolarHBondContact O-CD1 3.42Å; I249-R251 PolarHBondContact O-N 2.9Å
250P86.8Confident86.4Confident5 Ų558.8 Ų58.83%0.03232%0.322CS..  trans-63.3120.5177.824.7-33.2000110.3F96 E225 F235 I259F96-P250 HydrophobicContact CE2-CG 4.03Å; F96-P250 HydrophobicContact CZ-CG 4.09Å; E225-P250 VanDerWaalsContact CD-CA 3.5Å; E225-P250 HydrophobicContact CG-CB 4.05Å; E225-P250 VanDerWaalsContact OE1-CB 3.26Å; E225-P250 WeakPolarHBondContact OE1-CB 3.28Å; F235-P250 HydrophobicContact CZ-CG 4.29Å; P250-I259 HydrophobicContact CB-CD1 3.54Å; P250-I259 HydrophobicContact CG-CD1 3.97Å; P250-I259 HydrophobicContact CG-CG2 3.95Å
251R78.6Confident86.3Confident166 Ų16664.3 Ų64.363%0.62635%0.349SS*.  trans-102.5-20.3179.5-70.7-176.3178.8-115.61111.7E225 I249 G253E225-R251 PolarHBondContact OE2-N 3.41Å; E225-R251 VanDerWaalsContact OE2-N 3.16Å; I249-R251 PolarHBondContact O-N 2.9Å; R251-G253 PolarHBondContact O-N 2.88Å
252R74.5Confident86.4Confident127 Ų12762.8 Ų62.848%0.47934%0.338SS..  trans-79.9105.2-177.3-64.9-179.6179.5-172.5-1.6110.6T224 E225 S254T224-R252 WeakPolarHBondContact O-CD 3.37Å; T224-R252 PolarHBondContact O-NH1 3.12Å; E225-R252 PolarHBondContact OE1-N 2.83Å; E225-R252 PolarHBondContact OE2-N 3.43Å; R252-S254 PolarHBondContact O-N 3.32Å
253G70.7Confident86.3Confident49 Ų4960.1 Ų60.151%0.50532%0.321SS..G310 helixtrans-65.8-7.3-175.700000116.9R251 N255R251-G253 PolarHBondContact O-N 2.88Å; G253-N255 VanDerWaalsContact C-N 3.32Å; G253-N255 PolarHBondContact O-N 3.03Å
254S71.7Confident86.2Confident104 Ų10459.2 Ų59.273%0.72732%0.32SS*.G310 helixtrans-65.4-32.8-171.590.50000113.3R252R252-S254 PolarHBondContact O-N 3.32Å
255N81.2Confident86.2Confident78 Ų7862.2 Ų62.242%0.41733%0.334SS..G310 helixtrans-117.525.8-172.9-66.6-6.7000113.1G253 I257 G258 I259G253-N255 VanDerWaalsContact C-N 3.32Å; G253-N255 PolarHBondContact O-N 3.03Å; N255-I257 VanDerWaalsContact C-N 3.29Å; N255-I257 PolarHBondContact O-N 2.85Å; N255-G258 PolarHBondContact O-N 3.21Å; N255-I259 WeakPolarHBondContact O-CG1 3.4Å; N255-I259 PolarHBondContact O-N 3.43Å; N255-I259 VanDerWaalsContact O-N 3.14Å
256M82.7Confident86.2Confident15 Ų1555.6 Ų55.67%0.07431%0.305CS..Hα-helixtrans-58-39.8-171.5-162.267.3163.100113.8S92 F96 G258 I259 L260S92-M256 VanDerWaalsContact OG-CB 3.26Å; S92-M256 WeakPolarHBondContact OG-CB 3.27Å; S92-M256 WeakPolarHBondContact OG-CG 3.33Å; F96-M256 HydrophobicContact CB-CE 3.24Å; F96-M256 HydrophobicContact CD2-CE 3.31Å; F96-M256 HydrophobicContact CE2-CE 4.28Å; F96-M256 HydrophobicContact CG-CE 3.45Å; F96-M256 VanDerWaalsContact CG-CE 3.45Å; M256-G258 VanDerWaalsContact C-N 3.28Å; M256-G258 PolarHBondContact O-N 2.91Å; M256-I259 WeakPolarHBondContact O-CB 3.28Å; M256-I259 PolarHBondContact O-N 3.48Å; M256-I259 HydrophobicContact SD-CD1 4.34Å; M256-L260 HydrophobicContact CG-CD1 4.28Å; M256-L260 HydrophobicContact CG-CG 4.39Å; M256-L260 VanDerWaalsContact O-CG 3.3Å; M256-L260 WeakPolarHBondContact O-CG 3.14Å; M256-L260 PolarHBondContact O-N 3.39Å
257I85.4Confident86.3Confident125 Ų12555.2 Ų55.264%0.64130%0.3SS*.Hα-helixtrans-60.8-39.5177.8-173.358.8000111.8N255 I259 L260 M261N255-I257 VanDerWaalsContact C-N 3.29Å; N255-I257 PolarHBondContact O-N 2.85Å; I257-I259 VanDerWaalsContact C-N 3.34Å; I257-L260 PolarHBondContact O-N 2.94Å; I257-M261 WeakPolarHBondContact O-CB 3.22Å; I257-M261 VanDerWaalsContact O-CG 3.29Å; I257-M261 WeakPolarHBondContact O-CG 3.42Å; I257-M261 PolarHBondContact O-N 3.17Å
258G88Confident86.4Confident43 Ų4351.1 Ų51.144%0.44328%0.278SS..Hα-helixtrans-64.7-40.3176.300000111.9N255 M256 M261 Y262N255-G258 PolarHBondContact O-N 3.21Å; M256-G258 VanDerWaalsContact C-N 3.28Å; M256-G258 PolarHBondContact O-N 2.91Å; G258-M261 PolarHBondContact O-N 3.18Å; G258-Y262 WeakPolarHBondContact O-CB 3.5Å; G258-Y262 PolarHBondContact O-N 3.42Å
259I89.1Confident86.6Confident6 Ų650.2 Ų50.23%0.03127%0.273CS..Hα-helixtrans-63.3-45.1175.8-61.1179000110.8F96 F221 P250 N255 M256 I257 Y262 I263F96-I259 HydrophobicContact CE2-CG2 4.3Å; F221-I259 HydrophobicContact CE1-CB 4.36Å; F221-I259 HydrophobicContact CE1-CD1 4.17Å; F221-I259 HydrophobicContact CE1-CG1 3.84Å; F221-I259 HydrophobicContact CE1-CG2 3.95Å; F221-I259 HydrophobicContact CZ-CG2 4.21Å; P250-I259 HydrophobicContact CB-CD1 3.54Å; P250-I259 HydrophobicContact CG-CD1 3.97Å; P250-I259 HydrophobicContact CG-CG2 3.95Å; N255-I259 WeakPolarHBondContact O-CG1 3.4Å; N255-I259 PolarHBondContact O-N 3.43Å; N255-I259 VanDerWaalsContact O-N 3.14Å; M256-I259 WeakPolarHBondContact O-CB 3.28Å; M256-I259 PolarHBondContact O-N 3.48Å; M256-I259 HydrophobicContact SD-CD1 4.34Å; I257-I259 VanDerWaalsContact C-N 3.34Å; I259-Y262 WeakPolarHBondContact O-CB 3.28Å; I259-Y262 PolarHBondContact O-N 3.16Å; I259-I263 HydrophobicContact CG2-CD1 4.13Å; I259-I263 WeakPolarHBondContact O-CG1 3.47Å; I259-I263 PolarHBondContact O-N 3.29Å
260L89.8Confident86.7Confident19 Ų1950 Ų5010%0.09927%0.272CS..Hα-helixtrans-63.9-43178-67.5171.5000111.7I95 F96 V99 M256 I257 Y262 I263 V264I95-L260 HydrophobicContact CB-CD1 4.46Å; I95-L260 HydrophobicContact CG2-CD1 3.46Å; I95-L260 VanDerWaalsContact CG2-CD1 3.46Å; I95-L260 HydrophobicContact CG2-CD2 4.46Å; F96-L260 HydrophobicContact CD2-CD2 4.15Å; V99-L260 HydrophobicContact CB-CD2 4.11Å; V99-L260 HydrophobicContact CG1-CD2 4.32Å; V99-L260 HydrophobicContact CG2-CD2 3.99Å; M256-L260 HydrophobicContact CG-CD1 4.28Å; M256-L260 HydrophobicContact CG-CG 4.39Å; M256-L260 VanDerWaalsContact O-CG 3.3Å; M256-L260 WeakPolarHBondContact O-CG 3.14Å; M256-L260 PolarHBondContact O-N 3.39Å; I257-L260 PolarHBondContact O-N 2.94Å; L260-Y262 VanDerWaalsContact C-N 3.3Å; L260-Y262 PolarHBondContact O-N 3.44Å; L260-I263 PolarHBondContact O-N 3.37Å; L260-V264 WeakPolarHBondContact O-CG2 3.28Å; L260-V264 PolarHBondContact O-N 3Å
261M90.9Very high86.9Confident118 Ų11851.8 Ų51.858%0.58128%0.283SS*.Hα-helixtrans-62.5-39.2175.4-72-58.3-61.700111.8I257 G258 L265I257-M261 WeakPolarHBondContact O-CB 3.22Å; I257-M261 VanDerWaalsContact O-CG 3.29Å; I257-M261 WeakPolarHBondContact O-CG 3.42Å; I257-M261 PolarHBondContact O-N 3.17Å; G258-M261 PolarHBondContact O-N 3.18Å; M261-L265 VanDerWaalsContact O-CB 3.24Å; M261-L265 WeakPolarHBondContact O-CB 3.42Å; M261-L265 PolarHBondContact O-N 3.25Å
262Y93.2Very high87.5Confident16 Ų1644 Ų446%0.06326%0.255CS..Hα-helixtrans-61.4-48.3172.8179.5-89.3000111.2Y213 G217 L220 F221 S236 M240 G258 I259 L260 V264 L265 G266Y213-Y262 HydrophobicContact CD1-CE2 4.3Å; Y213-Y262 HydrophobicContact CE1-CD2 4.26Å; Y213-Y262 HydrophobicContact CE1-CE1 4.04Å; Y213-Y262 AromaticContact CE1-CE2 3.51Å; Y213-Y262 HydrophobicContact CE1-CE2 3.51Å; Y213-Y262 AromaticContact CE1-CZ 3.35Å; Y213-Y262 VanDerWaalsContact CE1-OH 3.28Å; Y213-Y262 WeakPolarHBondContact CE1-OH 3.1Å; Y213-Y262 HydrophobicContact CE2-CD2 4.38Å; Y213-Y262 AromaticContact CE2-CE2 3.94Å; Y213-Y262 HydrophobicContact CE2-CE2 3.94Å; Y213-Y262 AromaticContact CZ-CD2 3.73Å; Y213-Y262 AromaticContact CZ-CE2 3.32Å; Y213-Y262 AromaticContact CZ-CZ 3.7Å; Y213-Y262 PolarHBondContact O-OH 3.31Å; Y213-Y262 VanDerWaalsContact O-OH 3.06Å; Y213-Y262 WeakPolarHBondContact OH-CD2 3.2Å; Y213-Y262 VanDerWaalsContact OH-CE2 3.31Å; Y213-Y262 WeakPolarHBondContact OH-CE2 3.45Å; Y213-Y262 PolarHBondContact OH-O 3.03Å; G217-Y262 VanDerWaalsContact CA-CZ 3.47Å; G217-Y262 VanDerWaalsContact CA-OH 3.22Å; G217-Y262 WeakPolarHBondContact CA-OH 3.41Å; L220-Y262 HydrophobicContact CD1-CD2 3.98Å; L220-Y262 HydrophobicContact CD1-CE2 4.32Å; F221-Y262 AromaticContact CE2-CD1 3.63Å; F221-Y262 HydrophobicContact CE2-CD1 3.63Å; F221-Y262 AromaticContact CE2-CE1 3.61Å; F221-Y262 HydrophobicContact CE2-CE1 3.61Å; F221-Y262 HydrophobicContact CE2-CG 4.3Å; F221-Y262 AromaticContact CZ-CD1 3.76Å; F221-Y262 HydrophobicContact CZ-CD1 3.76Å; F221-Y262 HydrophobicContact CZ-CE1 4.21Å; F221-Y262 HydrophobicContact CZ-CG 4.32Å; S236-Y262 PolarHBondContact OG-OH 3.06Å; M240-Y262 HydrophobicContact CE-CD1 4.25Å; M240-Y262 HydrophobicContact CE-CE1 3.76Å; M240-Y262 HydrophobicContact SD-CE1 4.42Å; G258-Y262 WeakPolarHBondContact O-CB 3.5Å; G258-Y262 PolarHBondContact O-N 3.42Å; I259-Y262 WeakPolarHBondContact O-CB 3.28Å; I259-Y262 PolarHBondContact O-N 3.16Å; L260-Y262 VanDerWaalsContact C-N 3.3Å; L260-Y262 PolarHBondContact O-N 3.44Å; Y262-V264 PolarHBondContact O-N 2.79Å; Y262-L265 PolarHBondContact O-N 3.03Å; Y262-G266 WeakPolarHBondContact O-CA 3.33Å; Y262-G266 PolarHBondContact O-N 3.43Å
263I92Very high88.2Confident0 Ų038.5 Ų38.50%024%0.235CC..Hα-helixtrans-59.5-46.7178.4-67.8172000111.3F96 V99 I105 T239 I259 L260 G266 L267F96-I263 HydrophobicContact CD2-CD1 4.33Å; F96-I263 HydrophobicContact CE2-CD1 3.57Å; F96-I263 HydrophobicContact CZ-CD1 4.32Å; V99-I263 HydrophobicContact CG1-CG2 4.44Å; I105-I263 HydrophobicContact CD1-CG2 3.63Å; T239-I263 HydrophobicContact CG2-CD1 4.28Å; T239-I263 HydrophobicContact CG2-CG1 3.89Å; T239-I263 HydrophobicContact CG2-CG2 4.5Å; I259-I263 HydrophobicContact CG2-CD1 4.13Å; I259-I263 WeakPolarHBondContact O-CG1 3.47Å; I259-I263 PolarHBondContact O-N 3.29Å; L260-I263 PolarHBondContact O-N 3.37Å; I263-G266 PolarHBondContact O-N 3.03Å; I263-L267 HydrophobicContact CG2-CD1 4.09Å; I263-L267 VanDerWaalsContact O-CG 3.31Å; I263-L267 WeakPolarHBondContact O-CG 3.3Å; I263-L267 PolarHBondContact O-N 2.99Å
264V91.7Very high89.1Confident63 Ų6342 Ų4238%0.38224%0.241SC..Hα-helixtrans-63.7-48.1179.9172.70000111.5L260 Y262 G266 L267 V268L260-V264 WeakPolarHBondContact O-CG2 3.28Å; L260-V264 PolarHBondContact O-N 3Å; Y262-V264 PolarHBondContact O-N 2.79Å; V264-G266 PolarHBondContact O-N 3.39Å; V264-L267 PolarHBondContact O-N 2.91Å; V264-V268 WeakPolarHBondContact O-CG2 3.31Å; V264-V268 PolarHBondContact O-N 3.21Å; V264-V268 VanDerWaalsContact O-N 3.08Å
265L93.1Very high89.8Confident68 Ų6840.7 Ų40.736%0.35623%0.226SC..Hα-helixtrans-61.7-38.6177178.463.4000111.4F143 Y213 M261 Y262 V268 I269F143-L265 HydrophobicContact CE1-CD1 4.07Å; F143-L265 HydrophobicContact CZ-CD1 3.99Å; Y213-L265 HydrophobicContact CE2-CD2 3.91Å; Y213-L265 HydrophobicContact CE2-CG 4.13Å; M261-L265 VanDerWaalsContact O-CB 3.24Å; M261-L265 WeakPolarHBondContact O-CB 3.42Å; M261-L265 PolarHBondContact O-N 3.25Å; Y262-L265 PolarHBondContact O-N 3.03Å; L265-V268 WeakPolarHBondContact O-CB 3.42Å; L265-V268 PolarHBondContact O-N 3.12Å; L265-I269 HydrophobicContact CD1-CD1 4.33Å; L265-I269 HydrophobicContact CG-CD1 4.01Å; L265-I269 WeakPolarHBondContact O-CG1 3.4Å; L265-I269 PolarHBondContact O-N 3.15Å
266G93.2Very high90.1Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-61.5-46.1177.400000113.7Y213 M240 Y262 I263 V264 V268 I269 T270Y213-G266 PolarHBondContact OH-N 2.95Å; M240-G266 VanDerWaalsContact SD-C 3.51Å; M240-G266 WeakPolarHBondContact SD-CA 3.2Å; Y262-G266 WeakPolarHBondContact O-CA 3.33Å; Y262-G266 PolarHBondContact O-N 3.43Å; I263-G266 PolarHBondContact O-N 3.03Å; V264-G266 PolarHBondContact O-N 3.39Å; G266-V268 VanDerWaalsContact C-N 3.34Å; G266-V268 PolarHBondContact O-N 2.81Å; G266-I269 PolarHBondContact O-N 3.39Å; G266-T270 WeakPolarHBondContact O-CG2 3.42Å; G266-T270 PolarHBondContact O-N 3.3Å; G266-T270 PolarHBondContact O-OG1 3.33Å
267L91.3Very high90.3Very high8 Ų838.8 Ų38.84%0.04222%0.217CC..Hα-helixtrans-61.2-44.1173.8-69.2164.9000111.3T103 I105 I136 T242 I263 V264 I269 T270 T271T103-L267 HydrophobicContact CG2-CD1 3.2Å; I105-L267 HydrophobicContact CD1-CD1 4.46Å; I136-L267 HydrophobicContact CD1-CB 4.38Å; I136-L267 HydrophobicContact CD1-CD1 4.41Å; T242-L267 HydrophobicContact CG2-CD2 3.52Å; I263-L267 HydrophobicContact CG2-CD1 4.09Å; I263-L267 VanDerWaalsContact O-CG 3.31Å; I263-L267 WeakPolarHBondContact O-CG 3.3Å; I263-L267 PolarHBondContact O-N 2.99Å; V264-L267 PolarHBondContact O-N 2.91Å; L267-I269 VanDerWaalsContact C-N 3.3Å; L267-I269 PolarHBondContact O-N 3.1Å; L267-T270 WeakPolarHBondContact CA-OG1 3.5Å; L267-T270 PolarHBondContact O-N 2.93Å; L267-T270 VanDerWaalsContact O-N 3.15Å; L267-T270 PolarHBondContact O-OG1 3.34Å; L267-T271 WeakPolarHBondContact O-CG2 3.4Å; L267-T271 PolarHBondContact O-N 3.02Å; L267-T271 PolarHBondContact O-OG1 3.05Å
268V92.7Very high90.4Very high4 Ų434 Ų342%0.02420%0.198CC..Hα-helixtrans-57.4-42.9174.6167.10000111.8I139 F143 V264 L265 G266 T271 M272I139-V268 HydrophobicContact CB-CG1 4.46Å; I139-V268 HydrophobicContact CB-CG2 4.06Å; I139-V268 HydrophobicContact CG2-CB 4.24Å; I139-V268 HydrophobicContact CG2-CG1 3.58Å; I139-V268 HydrophobicContact CG2-CG2 3.56Å; F143-V268 HydrophobicContact CB-CG1 4.34Å; F143-V268 HydrophobicContact CD1-CG1 4.41Å; F143-V268 HydrophobicContact CD2-CG1 3.46Å; F143-V268 VanDerWaalsContact CD2-CG1 3.46Å; F143-V268 HydrophobicContact CE2-CG1 3.74Å; F143-V268 HydrophobicContact CG-CG1 3.82Å; F143-V268 HydrophobicContact CZ-CG1 4.33Å; V264-V268 WeakPolarHBondContact O-CG2 3.31Å; V264-V268 PolarHBondContact O-N 3.21Å; V264-V268 VanDerWaalsContact O-N 3.08Å; L265-V268 WeakPolarHBondContact O-CB 3.42Å; L265-V268 PolarHBondContact O-N 3.12Å; G266-V268 VanDerWaalsContact C-N 3.34Å; G266-V268 PolarHBondContact O-N 2.81Å; V268-T271 PolarHBondContact O-OG1 3.42Å; V268-M272 VanDerWaalsContact O-CB 3.23Å; V268-M272 WeakPolarHBondContact O-CB 3.47Å; V268-M272 PolarHBondContact O-N 2.95Å
269I93.1Very high90.1Very high18 Ų1835 Ų359%0.09220%0.196CC..Hα-helixtrans-66.1-43.4176.9-70.4166.5000110.3I209 Y213 L265 G266 L267 T271 M272 C273I209-I269 HydrophobicContact CG2-CG2 4.31Å; Y213-I269 HydrophobicContact CD1-CD1 4.23Å; Y213-I269 HydrophobicContact CD2-CD1 3.28Å; Y213-I269 HydrophobicContact CE1-CD1 4.36Å; Y213-I269 HydrophobicContact CE2-CD1 3.42Å; Y213-I269 VanDerWaalsContact CE2-CD1 3.42Å; Y213-I269 HydrophobicContact CG-CD1 3.7Å; L265-I269 HydrophobicContact CD1-CD1 4.33Å; L265-I269 HydrophobicContact CG-CD1 4.01Å; L265-I269 WeakPolarHBondContact O-CG1 3.4Å; L265-I269 PolarHBondContact O-N 3.15Å; G266-I269 PolarHBondContact O-N 3.39Å; L267-I269 VanDerWaalsContact C-N 3.3Å; L267-I269 PolarHBondContact O-N 3.1Å; I269-T271 PolarHBondContact O-N 3.42Å; I269-M272 HydrophobicContact CG2-CE 4.2Å; I269-M272 PolarHBondContact O-N 2.92Å; I269-C273 WeakPolarHBondContact O-CB 3.31Å; I269-C273 PolarHBondContact O-N 3.24Å; I269-C273 PolarHBondContact O-SG 2.95Å
270T91.8Very high89.7Confident17 Ų1736.4 Ų36.410%0.10420%0.202CC..Hα-helixtrans-65.1-39.2179.964.90000112.3L210 M240 G266 L267 C273 I274L210-T270 HydrophobicContact CD1-CG2 3.85Å; M240-T270 HydrophobicContact CB-CG2 3.99Å; M240-T270 WeakPolarHBondContact O-CG2 3.32Å; G266-T270 WeakPolarHBondContact O-CG2 3.42Å; G266-T270 PolarHBondContact O-N 3.3Å; G266-T270 PolarHBondContact O-OG1 3.33Å; L267-T270 WeakPolarHBondContact CA-OG1 3.5Å; L267-T270 PolarHBondContact O-N 2.93Å; L267-T270 VanDerWaalsContact O-N 3.15Å; L267-T270 PolarHBondContact O-OG1 3.34Å; T270-C273 WeakPolarHBondContact O-CB 3.23Å; T270-C273 PolarHBondContact O-N 3.42Å; T270-I274 VanDerWaalsContact O-CG1 3.3Å; T270-I274 WeakPolarHBondContact O-CG1 3.36Å; T270-I274 PolarHBondContact O-N 2.89Å
271T90.7Very high89.5Confident43 Ų4341.1 Ų41.126%0.26422%0.219SC..Hα-helixtrans-69.4-40.6176.2570000112I136 L267 V268 I269 C273 I274 D275I136-T271 HydrophobicContact CG2-CG2 3.35Å; I136-T271 WeakPolarHBondContact CG2-OG1 3.33Å; L267-T271 WeakPolarHBondContact O-CG2 3.4Å; L267-T271 PolarHBondContact O-N 3.02Å; L267-T271 PolarHBondContact O-OG1 3.05Å; V268-T271 PolarHBondContact O-OG1 3.42Å; I269-T271 PolarHBondContact O-N 3.42Å; T271-C273 VanDerWaalsContact C-N 3.3Å; T271-C273 PolarHBondContact O-N 3.12Å; T271-I274 PolarHBondContact O-N 2.85Å; T271-D275 PolarHBondContact O-N 2.92Å
272M90.8Very high89.1Confident4 Ų439.8 Ų39.82%0.0221%0.214CC..Hα-helixtrans-58.9-42170.3176.3-154.374.500111.5F143 L147 I209 V268 I269 D275 L276F143-M272 HydrophobicContact CB-CB 4.47Å; F143-M272 HydrophobicContact CB-CG 4.2Å; F143-M272 HydrophobicContact CB-SD 3.76Å; L147-M272 HydrophobicContact CD1-CE 3.32Å; L147-M272 HydrophobicContact CD1-CG 4.47Å; L147-M272 HydrophobicContact CD1-SD 3.22Å; L147-M272 WeakPolarHBondContact CD1-SD 3.32Å; L147-M272 HydrophobicContact CG-CE 4.41Å; L147-M272 HydrophobicContact CG-SD 3.75Å; I209-M272 HydrophobicContact CG2-CE 4.47Å; V268-M272 VanDerWaalsContact O-CB 3.23Å; V268-M272 WeakPolarHBondContact O-CB 3.47Å; V268-M272 PolarHBondContact O-N 2.95Å; I269-M272 HydrophobicContact CG2-CE 4.2Å; I269-M272 PolarHBondContact O-N 2.92Å; M272-D275 PolarHBondContact O-N 3.3Å; M272-L276 HydrophobicContact CG-CD1 4.18Å; M272-L276 WeakPolarHBondContact O-CG 3.2Å; M272-L276 PolarHBondContact O-N 3.26Å
273C90.1Very high88.3Confident11 Ų1142.3 Ų42.37%0.07422%0.223CC..Hα-helixtrans-61.8-47.1175.4-72.80000111.1V206 L210 I269 T270 T271 D275 V277V206-C273 HydrophobicContact CG1-CB 3.71Å; V206-C273 WeakPolarHBondContact CG1-SG 3.47Å; L210-C273 HydrophobicContact CD1-CB 4.4Å; I269-C273 WeakPolarHBondContact O-CB 3.31Å; I269-C273 PolarHBondContact O-N 3.24Å; I269-C273 PolarHBondContact O-SG 2.95Å; T270-C273 WeakPolarHBondContact O-CB 3.23Å; T270-C273 PolarHBondContact O-N 3.42Å; T271-C273 VanDerWaalsContact C-N 3.3Å; T271-C273 PolarHBondContact O-N 3.12Å; C273-D275 VanDerWaalsContact C-N 3.32Å; C273-D275 PolarHBondContact O-N 3.48Å; C273-V277 WeakPolarHBondContact O-CB 3.37Å; C273-V277 WeakPolarHBondContact O-CG2 3.42Å; C273-V277 PolarHBondContact O-N 2.83Å
274I88.7Confident87.7Confident122 Ų12248.6 Ų48.663%0.62625%0.25SS*.Hα-helixtrans-60.2-41.3177.9-69.7165.8000111T270 T271 G278T270-I274 VanDerWaalsContact O-CG1 3.3Å; T270-I274 WeakPolarHBondContact O-CG1 3.36Å; T270-I274 PolarHBondContact O-N 2.89Å; T271-I274 PolarHBondContact O-N 2.85Å; I274-G278 WeakPolarHBondContact O-CA 3.49Å; I274-G278 PolarHBondContact O-N 2.95Å
275D87Confident87.1Confident76 Ų7651.1 Ų51.141%0.40626%0.26SS..Hα-helixtrans-65.6-54.5179-17649.4000112T271 M272 C273 V277 G278 V279T271-D275 PolarHBondContact O-N 2.92Å; M272-D275 PolarHBondContact O-N 3.3Å; C273-D275 VanDerWaalsContact C-N 3.32Å; C273-D275 PolarHBondContact O-N 3.48Å; D275-V277 PolarHBondContact O-N 3.48Å; D275-G278 PolarHBondContact O-N 3.34Å; D275-V279 WeakPolarHBondContact O-CG2 3.45Å; D275-V279 PolarHBondContact O-N 3.44Å
276L86.7Confident86.4Confident26 Ų2649.8 Ų49.814%0.13625%0.252CS..Hα-helixtrans-60.4-45.4-179.5-71178.1000112.3L147 V148 V206 M272 Q280L147-L276 HydrophobicContact CD1-CD1 4.29Å; V148-L276 HydrophobicContact CG2-CD2 4.31Å; V206-L276 HydrophobicContact CG2-CB 4.13Å; V206-L276 HydrophobicContact CG2-CD1 3.94Å; M272-L276 HydrophobicContact CG-CD1 4.18Å; M272-L276 WeakPolarHBondContact O-CG 3.2Å; M272-L276 PolarHBondContact O-N 3.26Å; L276-Q280 WeakPolarHBondContact O-CG 3.44Å
277V87.8Confident85.7Confident28 Ų2856.3 Ų56.317%0.1728%0.278CS..Hα-helixtrans-71.5-40179.6172.70000110.2V206 C273 D275 V279 Q280 Y281V206-V277 HydrophobicContact CB-CG2 3.98Å; V206-V277 HydrophobicContact CG1-CG2 3.71Å; C273-V277 WeakPolarHBondContact O-CB 3.37Å; C273-V277 WeakPolarHBondContact O-CG2 3.42Å; C273-V277 PolarHBondContact O-N 2.83Å; D275-V277 PolarHBondContact O-N 3.48Å; V277-V279 PolarHBondContact O-N 3.37Å; V277-Q280 WeakPolarHBondContact O-CB 3.22Å; V277-Q280 PolarHBondContact O-N 2.82Å; V277-Q280 VanDerWaalsContact O-N 3.16Å; V277-Y281 HydrophobicContact CB-CD2 4.48Å; V277-Y281 HydrophobicContact CG1-CD2 3.24Å; V277-Y281 HydrophobicContact CG1-CE2 3.2Å; V277-Y281 VanDerWaalsContact O-CD2 3.28Å; V277-Y281 WeakPolarHBondContact O-CD2 3.46Å; V277-Y281 PolarHBondContact O-N 3.11Å
278G86.9Confident85.2Confident23 Ų2362.4 Ų62.424%0.23730%0.304CS..Hα-helixtrans-57-49.2177.600000112.4I274 D275 Q280 Y281 I282I274-G278 WeakPolarHBondContact O-CA 3.49Å; I274-G278 PolarHBondContact O-N 2.95Å; D275-G278 PolarHBondContact O-N 3.34Å; G278-Q280 VanDerWaalsContact C-N 3.27Å; G278-Q280 PolarHBondContact O-N 3.15Å; G278-Y281 PolarHBondContact O-N 2.98Å; G278-I282 WeakPolarHBondContact O-CB 3.39Å; G278-I282 WeakPolarHBondContact O-CD1 3.48Å; G278-I282 WeakPolarHBondContact O-CG1 3.45Å; G278-I282 PolarHBondContact O-N 2.65Å
279V82.4Confident84.5Confident66 Ų6663.4 Ų63.440%0.432%0.316SS..Hα-helixtrans-58.6-38.6176.8173.20000111.8D275 V277 R283D275-V279 WeakPolarHBondContact O-CG2 3.45Å; D275-V279 PolarHBondContact O-N 3.44Å; V277-V279 PolarHBondContact O-N 3.37Å; V279-R283 VanDerWaalsContact O-CG 3.3Å; V279-R283 WeakPolarHBondContact O-CG 3.34Å; V279-R283 PolarHBondContact O-N 3.07Å; V279-R283 PolarHBondContact O-NE 3Å
280Q79.7Confident83.7Confident34 Ų3466.1 Ų66.116%0.15933%0.325CS..Hα-helixtrans-69.5-45177-63.3-73.817.300112.5S200 V201 L276 V277 G278 R283 K284S200-Q280 PolarHBondContact OG-NE2 2.95Å; V201-Q280 PolarHBondContact O-NE2 2.84Å; L276-Q280 WeakPolarHBondContact O-CG 3.44Å; V277-Q280 WeakPolarHBondContact O-CB 3.22Å; V277-Q280 PolarHBondContact O-N 2.82Å; V277-Q280 VanDerWaalsContact O-N 3.16Å; G278-Q280 VanDerWaalsContact C-N 3.27Å; G278-Q280 PolarHBondContact O-N 3.15Å; Q280-R283 VanDerWaalsContact CD-NH2 3.27Å; Q280-R283 PolarHBondContact O-N 2.76Å; Q280-K284 WeakPolarHBondContact O-CG 3.45Å; Q280-K284 PolarHBondContact O-N 3.35Å
281Y84.8Confident82.9Confident118 Ų11871.3 Ų71.346%0.46335%0.346SS..Hα-helixtrans-68.4-43.5-179-87-73.2000112V277 G278 R283 K284 I285V277-Y281 HydrophobicContact CB-CD2 4.48Å; V277-Y281 HydrophobicContact CG1-CD2 3.24Å; V277-Y281 HydrophobicContact CG1-CE2 3.2Å; V277-Y281 VanDerWaalsContact O-CD2 3.28Å; V277-Y281 WeakPolarHBondContact O-CD2 3.46Å; V277-Y281 PolarHBondContact O-N 3.11Å; G278-Y281 PolarHBondContact O-N 2.98Å; Y281-R283 VanDerWaalsContact C-N 3.25Å; Y281-R283 PolarHBondContact O-N 3.47Å; Y281-K284 PolarHBondContact O-N 3.4Å; Y281-K284 VanDerWaalsContact O-N 3.12Å; Y281-I285 WeakPolarHBondContact O-CB 3.2Å; Y281-I285 VanDerWaalsContact O-CG1 3.3Å; Y281-I285 WeakPolarHBondContact O-CG1 3.29Å; Y281-I285 PolarHBondContact O-N 3Å
282I84.2Confident82.1Confident91 Ų9172.7 Ų72.747%0.46735%0.351SS..Hα-helixtrans-56.8-43.4175.9-67.9164.3000109.9G278 I285 H286 I354G278-I282 WeakPolarHBondContact O-CB 3.39Å; G278-I282 WeakPolarHBondContact O-CD1 3.48Å; G278-I282 WeakPolarHBondContact O-CG1 3.45Å; G278-I282 PolarHBondContact O-N 2.65Å; I282-I285 PolarHBondContact O-N 3.16Å; I282-H286 WeakPolarHBondContact O-CB 3.26Å; I282-H286 PolarHBondContact O-N 3.24Å; I282-I354 HydrophobicContact CG2-CD1 4.18Å; I282-I354 HydrophobicContact CG2-CG1 4.3Å
283R75.8Confident81.3Confident68 Ų6875.2 Ų75.226%0.25736%0.362SS..Hα-helixtrans-64.4-42.1175.9-73-172.6-62.5-177.74.4113.2V279 Q280 Y281 H286 Y287V279-R283 VanDerWaalsContact O-CG 3.3Å; V279-R283 WeakPolarHBondContact O-CG 3.34Å; V279-R283 PolarHBondContact O-N 3.07Å; V279-R283 PolarHBondContact O-NE 3Å; Q280-R283 VanDerWaalsContact CD-NH2 3.27Å; Q280-R283 PolarHBondContact O-N 2.76Å; Y281-R283 VanDerWaalsContact C-N 3.25Å; Y281-R283 PolarHBondContact O-N 3.47Å; R283-H286 PolarHBondContact O-N 3.37Å; R283-Y287 WeakPolarHBondContact O-CB 3.49Å; R283-Y287 PolarHBondContact O-N 3.34Å
284K79Confident80.6Confident132 Ų13279.6 Ų79.657%0.57439%0.385SS*.Hα-helixtrans-64.2-43.6175.9-76.3-178.5179.8179.50112.2Q280 Y281 H286 Y287 F288Q280-K284 WeakPolarHBondContact O-CG 3.45Å; Q280-K284 PolarHBondContact O-N 3.35Å; Y281-K284 PolarHBondContact O-N 3.4Å; Y281-K284 VanDerWaalsContact O-N 3.12Å; K284-H286 VanDerWaalsContact C-N 3.34Å; K284-Y287 PolarHBondContact O-N 2.85Å; K284-F288 WeakPolarHBondContact O-CB 3.5Å; K284-F288 PolarHBondContact O-N 3.49Å
285I80.2Confident79.9Confident117 Ų11776.5 Ų76.560%0.638%0.378SS*.Hα-helixtrans-62.3-44.6176.4-68.9167.9000109.7Y281 I282 F288 G289Y281-I285 WeakPolarHBondContact O-CB 3.2Å; Y281-I285 VanDerWaalsContact O-CG1 3.3Å; Y281-I285 WeakPolarHBondContact O-CG1 3.29Å; Y281-I285 PolarHBondContact O-N 3Å; I282-I285 PolarHBondContact O-N 3.16Å; I285-F288 PolarHBondContact O-N 2.68Å; I285-G289 PolarHBondContact O-N 3.29Å
286H78.3Confident79.3Confident39 Ų3979.9 Ų79.918%0.18139%0.385CS..Hα-helixtrans-61.4-45.4176.5-171.4-106.7000112.1I282 R283 K284 G289 R290 I354 D355I282-H286 WeakPolarHBondContact O-CB 3.26Å; I282-H286 PolarHBondContact O-N 3.24Å; R283-H286 PolarHBondContact O-N 3.37Å; K284-H286 VanDerWaalsContact C-N 3.34Å; H286-G289 PolarHBondContact O-N 3.25Å; H286-R290 VanDerWaalsContact CE1-CZ 3.48Å; H286-R290 PolarHBondContact CE1-NH1 2.57Å; H286-R290 PolarHBondContact O-N 2.82Å; H286-I354 HydrophobicContact CB-CG2 4.27Å; H286-D355 IonicContact CE1-OD1 3.66Å; H286-D355 PolarHBondContact CE1-OD1 2.84Å; H286-D355 IonicContact CE1-OD2 2.81Å; H286-D355 IonicContact ND1-OD1 3.66Å; H286-D355 PolarHBondContact ND1-OD1 2.93Å
287Y77.1Confident78.9Confident138 Ų13881.7 Ų81.754%0.54140%0.4SS..Hα-helixtrans-61.6-44.5175.7177.4-96000112.5R283 K284 G289 R290 K291R283-Y287 WeakPolarHBondContact O-CB 3.49Å; R283-Y287 PolarHBondContact O-N 3.34Å; K284-Y287 PolarHBondContact O-N 2.85Å; Y287-G289 VanDerWaalsContact C-N 3.33Å; Y287-G289 PolarHBondContact O-N 3.16Å; Y287-R290 PolarHBondContact O-N 3.34Å; Y287-K291 HydrophobicContact CE1-CD 4.35Å; Y287-K291 PolarHBondContact O-N 3.18Å
288F80.3Confident78.4Confident135 Ų13582.3 Ų82.359%0.59241%0.408SS*.Hα-helixtrans-61.2-43.3176-179.3-103.1000111.5K284 I285 R290 K291 I292K284-F288 WeakPolarHBondContact O-CB 3.5Å; K284-F288 PolarHBondContact O-N 3.49Å; I285-F288 PolarHBondContact O-N 2.68Å; F288-R290 PolarHBondContact O-N 2.73Å; F288-K291 PolarHBondContact O-N 3.33Å; F288-I292 HydrophobicContact CD1-CD1 3.88Å; F288-I292 HydrophobicContact CE1-CD1 3.35Å; F288-I292 HydrophobicContact CE1-CG1 4.36Å; F288-I292 HydrophobicContact CE2-CD1 4.44Å; F288-I292 HydrophobicContact CZ-CD1 3.68Å; F288-I292 HydrophobicContact CZ-CG1 4.38Å; F288-I292 PolarHBondContact O-N 2.92Å; F288-I292 VanDerWaalsContact O-N 3.08Å
289G78.4Confident78.3Confident26 Ų2686.5 Ų86.527%0.26842%0.424SS..Hα-helixtrans-57.2-46.7173.500000112.9I285 H286 Y287 I292 Q293I285-G289 PolarHBondContact O-N 3.29Å; H286-G289 PolarHBondContact O-N 3.25Å; Y287-G289 VanDerWaalsContact C-N 3.33Å; Y287-G289 PolarHBondContact O-N 3.16Å; G289-I292 PolarHBondContact O-N 3.36Å; G289-Q293 PolarHBondContact O-N 3Å
290R76.4Confident78.1Confident75 Ų7584.8 Ų84.828%0.28342%0.417SS..Hα-helixtrans-62.2-44.7175.4-74.5-163.8-71.8-142.4-5.3112.6H286 Y287 F288 I292 Q293 D294 D355 S358H286-R290 VanDerWaalsContact CE1-CZ 3.48Å; H286-R290 PolarHBondContact CE1-NH1 2.57Å; H286-R290 PolarHBondContact O-N 2.82Å; Y287-R290 PolarHBondContact O-N 3.34Å; F288-R290 PolarHBondContact O-N 2.73Å; R290-I292 VanDerWaalsContact C-N 3.27Å; R290-I292 PolarHBondContact O-N 3.02Å; R290-Q293 WeakPolarHBondContact O-CA 3.47Å; R290-Q293 WeakPolarHBondContact O-CB 3.28Å; R290-Q293 PolarHBondContact O-N 3.2Å; R290-D294 PolarHBondContact O-N 3.33Å; R290-D355 IonicContact CZ-OD1 3.78Å; R290-D355 IonicContact NH1-OD1 3.5Å; R290-D355 PolarHBondContact NH1-OD1 3.17Å; R290-D355 IonicContact NH2-OD1 2.82Å; R290-S358 PolarHBondContact NH1-OG 2.95Å; R290-S358 PolarHBondContact NH2-OG 2.78Å
291K75.3Confident78.3Confident126 Ų12689.4 Ų89.455%0.54844%0.441SS..Hα-helixtrans-61.9-34.5179.7-167.5175.5-178.6178.30112.6Y287 F288 Q293 A295Y287-K291 HydrophobicContact CE1-CD 4.35Å; Y287-K291 PolarHBondContact O-N 3.18Å; F288-K291 PolarHBondContact O-N 3.33Å; K291-Q293 VanDerWaalsContact C-N 3.34Å; K291-A295 VanDerWaalsContact O-CB 3.28Å; K291-A295 WeakPolarHBondContact O-CB 3.2Å; K291-A295 PolarHBondContact O-N 3.13Å
292I74.3Confident77.9Confident71 Ų7186.8 Ų86.836%0.36444%0.437SS..Hα-helixtrans-64.6-39172.2-72.9173.7000111.2F288 G289 R290 R296F288-I292 HydrophobicContact CD1-CD1 3.88Å; F288-I292 HydrophobicContact CE1-CD1 3.35Å; F288-I292 HydrophobicContact CE1-CG1 4.36Å; F288-I292 HydrophobicContact CE2-CD1 4.44Å; F288-I292 HydrophobicContact CZ-CD1 3.68Å; F288-I292 HydrophobicContact CZ-CG1 4.38Å; F288-I292 PolarHBondContact O-N 2.92Å; F288-I292 VanDerWaalsContact O-N 3.08Å; G289-I292 PolarHBondContact O-N 3.36Å; R290-I292 VanDerWaalsContact C-N 3.27Å; R290-I292 PolarHBondContact O-N 3.02Å; I292-R296 WeakPolarHBondContact O-CG 3.45Å; I292-R296 PolarHBondContact O-N 3.06Å
293Q73.6Confident77.5Confident57 Ų5786.5 Ų86.527%0.26646%0.457SS..Hα-helixtrans-67.7-47.2177.6-66.9174.4-10.800111.4G289 R290 K291 A295 R296 S297G289-Q293 PolarHBondContact O-N 3Å; R290-Q293 WeakPolarHBondContact O-CA 3.47Å; R290-Q293 WeakPolarHBondContact O-CB 3.28Å; R290-Q293 PolarHBondContact O-N 3.2Å; K291-Q293 VanDerWaalsContact C-N 3.34Å; Q293-A295 VanDerWaalsContact C-N 3.3Å; Q293-A295 PolarHBondContact O-N 2.67Å; Q293-R296 WeakPolarHBondContact O-CB 3.35Å; Q293-R296 PolarHBondContact O-N 3.36Å; Q293-S297 PolarHBondContact O-N 2.99Å; Q293-S297 PolarHBondContact O-OG 3.43Å
294D76.3Confident78Confident104 Ų10486.7 Ų86.756%0.55648%0.48SS*.Hα-helixtrans-62.1-38.4177.8-64.3-26.6000111.7R290 R296 S297 A298R290-D294 PolarHBondContact O-N 3.33Å; D294-R296 VanDerWaalsContact C-N 3.28Å; D294-R296 PolarHBondContact O-N 3.45Å; D294-S297 WeakPolarHBondContact CA-OG 3.46Å; D294-S297 CarbonylContact O-C 3.49Å; D294-S297 PolarHBondContact O-N 3.45Å; D294-S297 PolarHBondContact O-OG 2.86Å; D294-A298 PolarHBondContact O-N 3.41Å
295A73.7Confident78.1Confident56 Ų5688 Ų8846%0.46349%0.486SS..Hα-helixtrans-65-31.1174.700000112.8K291 Q293 A298 V309K291-A295 VanDerWaalsContact O-CB 3.28Å; K291-A295 WeakPolarHBondContact O-CB 3.2Å; K291-A295 PolarHBondContact O-N 3.13Å; Q293-A295 VanDerWaalsContact C-N 3.3Å; Q293-A295 PolarHBondContact O-N 2.67Å; A295-A298 WeakPolarHBondContact O-CB 3.45Å; A295-V309 WeakPolarHBondContact O-CB 3.37Å
296R74.7Confident78.3Confident148 Ų14886.9 Ų86.956%0.55848%0.484SS*.Hα-helixtrans-75.9-33.2175-74.6177.9178.6-175.20.6112.5I292 Q293 D294 G310I292-R296 WeakPolarHBondContact O-CG 3.45Å; I292-R296 PolarHBondContact O-N 3.06Å; Q293-R296 WeakPolarHBondContact O-CB 3.35Å; Q293-R296 PolarHBondContact O-N 3.36Å; D294-R296 VanDerWaalsContact C-N 3.28Å; D294-R296 PolarHBondContact O-N 3.45Å; R296-G310 PolarHBondContact O-N 3.48Å
297S77.1Confident78.5Confident64 Ų6486.3 Ų86.345%0.44848%0.483SS..Hα-helixtrans-88.40.8175.259.70000113.6Q293 D294 Y308Q293-S297 PolarHBondContact O-N 2.99Å; Q293-S297 PolarHBondContact O-OG 3.43Å; D294-S297 WeakPolarHBondContact CA-OG 3.46Å; D294-S297 CarbonylContact O-C 3.49Å; D294-S297 PolarHBondContact O-N 3.45Å; D294-S297 PolarHBondContact O-OG 2.86Å; S297-Y308 WeakPolarHBondContact O-CD1 3.47Å; S297-Y308 VanDerWaalsContact O-CE1 3.28Å; S297-Y308 WeakPolarHBondContact O-CE1 2.94Å
298A78.6Confident78.9Confident41 Ų4185 Ų8534%0.33948%0.478SS..  trans-62.2142.2172.400000110.7D294 A295 Y308 V309D294-A298 PolarHBondContact O-N 3.41Å; A295-A298 WeakPolarHBondContact O-CB 3.45Å; A298-Y308 CarbonylContact O-C 3.51Å; A298-Y308 WeakPolarHBondContact O-CA 3.37Å; A298-V309 HydrophobicContact CB-CG2 4Å; A298-V309 WeakPolarHBondContact O-CG2 3.44Å; A298-V309 PolarHBondContact O-N 2.76Å
299L83.2Confident78.9Confident111 Ų11181 Ų8158%0.58147%0.465SS*.EExtended strand (participates in β ladder)trans-90.6124.6177.7-65165000109.1V306 Y308L299-V306 HydrophobicContact CB-CG1 3.82Å; L299-V306 HydrophobicContact CD1-CG1 4.37Å; L299-V306 HydrophobicContact CD2-CG1 3.77Å; L299-V306 HydrophobicContact CG-CG1 4.19Å; L299-Y308 HydrophobicContact CD2-CD1 3.59Å; L299-Y308 HydrophobicContact CD2-CD2 4.48Å; L299-Y308 HydrophobicContact CD2-CE1 3.39Å; L299-Y308 HydrophobicContact CD2-CE2 4.3Å; L299-Y308 HydrophobicContact CD2-CG 4.16Å; L299-Y308 HydrophobicContact CG-CD1 4.29Å; L299-Y308 HydrophobicContact CG-CE1 4.05Å
300A78.9Confident79Confident29 Ų2980.5 Ų80.524%0.2446%0.46CS..EExtended strand (participates in β ladder)trans-114.2139.3173.200000110V302 V307 V309A300-V302 HydrophobicContact CB-CG2 4.47Å; A300-V307 PolarHBondContact N-O 2.88Å; A300-V307 PolarHBondContact O-N 2.94Å; A300-V307 VanDerWaalsContact O-O 3.04Å; A300-V309 HydrophobicContact CB-CG2 3.86Å
301I83.2Confident79.3Confident131 Ų13181.9 Ų81.967%0.67247%0.469SS*.EExtended strand (participates in β ladder)trans-91.1112174.9-55.1176.4000107.8K305 V306I301-K305 WeakPolarHBondContact CA-O 3.37Å; I301-V306 HydrophobicContact CG1-CG2 4.36Å
302V77.1Confident79.6Confident63 Ų6380.9 Ų80.938%0.38246%0.462SS..EExtended strand (participates in β ladder)trans-122113.4178.3-176.90000108.4A300 G304 K305 W312A300-V302 HydrophobicContact CB-CG2 4.47Å; V302-G304 PolarHBondContact O-N 3.34Å; V302-K305 PolarHBondContact N-O 3.45Å; V302-K305 PolarHBondContact O-N 3.3Å; V302-W312 HydrophobicContact CG2-CG 4.32Å
303G77.1Confident79.9Confident85 Ų8583.4 Ų83.488%0.87647%0.468SS*.THydrogen-bonded Turntrans63.535.5178.700000114.4K305G303-K305 PolarHBondContact O-N 3.45Å
304G85Confident80.3Confident73 Ų7385.7 Ų85.775%0.75348%0.482SS*.THydrogen-bonded Turntrans79.3-2.6-17900000115.1V302V302-G304 PolarHBondContact O-N 3.34Å
305K82.3Confident80.7Confident158 Ų15886.2 Ų86.269%0.68748%0.481SS*.EExtended strand (participates in β ladder)trans-104.3139173.5-66.7-176.6178.6179.60110.6I301 V302 G303 V307I301-K305 WeakPolarHBondContact CA-O 3.37Å; V302-K305 PolarHBondContact N-O 3.45Å; V302-K305 PolarHBondContact O-N 3.3Å; G303-K305 PolarHBondContact O-N 3.45Å; K305-V307 HydrophobicContact CB-CG2 4.4Å
306V83.6Confident81Confident94 Ų9486 Ų8657%0.5747%0.474SS*.EExtended strand (participates in β ladder)trans-82.9120.5172.4-172.10000108.2L299 I301L299-V306 HydrophobicContact CB-CG1 3.82Å; L299-V306 HydrophobicContact CD1-CG1 4.37Å; L299-V306 HydrophobicContact CD2-CG1 3.77Å; L299-V306 HydrophobicContact CG-CG1 4.19Å; I301-V306 HydrophobicContact CG1-CG2 4.36Å
307V82.4Confident81.3Confident27 Ų2783.2 Ų83.216%0.16447%0.469CS..EExtended strand (participates in β ladder)trans-132.4143.7179.9-173.80000108.9A300 K305 E311 W312A300-V307 PolarHBondContact N-O 2.88Å; A300-V307 PolarHBondContact O-N 2.94Å; A300-V307 VanDerWaalsContact O-O 3.04Å; K305-V307 HydrophobicContact CB-CG2 4.4Å; V307-E311 HydrophobicContact CG1-CB 4.04Å; V307-W312 HydrophobicContact CG1-CB 4.08Å
308Y85.8Confident81.4Confident111 Ų11182.6 Ų82.644%0.43547%0.467SS..EExtended strand (participates in β ladder)trans-64.6138.8172.4-72.2-71.4000111S297 A298 L299 G310 E311 W312S297-Y308 WeakPolarHBondContact O-CD1 3.47Å; S297-Y308 VanDerWaalsContact O-CE1 3.28Å; S297-Y308 WeakPolarHBondContact O-CE1 2.94Å; A298-Y308 CarbonylContact O-C 3.51Å; A298-Y308 WeakPolarHBondContact O-CA 3.37Å; L299-Y308 HydrophobicContact CD2-CD1 3.59Å; L299-Y308 HydrophobicContact CD2-CD2 4.48Å; L299-Y308 HydrophobicContact CD2-CE1 3.39Å; L299-Y308 HydrophobicContact CD2-CE2 4.3Å; L299-Y308 HydrophobicContact CD2-CG 4.16Å; L299-Y308 HydrophobicContact CG-CD1 4.29Å; L299-Y308 HydrophobicContact CG-CE1 4.05Å; Y308-G310 PolarHBondContact O-N 2.93Å; Y308-E311 PolarHBondContact O-N 2.99Å; Y308-W312 WeakPolarHBondContact O-CB 3.15Å; Y308-W312 PolarHBondContact O-N 2.8Å
309V80.4Confident81.5Confident50 Ų5090 Ų9030%0.30349%0.486SS..Hα-helixtrans-55.6-40.2178.3171.30000111.2A295 A298 A300 Y313A295-V309 WeakPolarHBondContact O-CB 3.37Å; A298-V309 HydrophobicContact CB-CG2 4Å; A298-V309 WeakPolarHBondContact O-CG2 3.44Å; A298-V309 PolarHBondContact O-N 2.76Å; A300-V309 HydrophobicContact CB-CG2 3.86Å; V309-Y313 VanDerWaalsContact O-CB 3.25Å; V309-Y313 WeakPolarHBondContact O-CB 3.35Å; V309-Y313 PolarHBondContact O-N 2.89Å
310G80.2Confident81.1Confident16 Ų1692.8 Ų92.817%0.16549%0.49CS..Hα-helixtrans-64.5-41.3176.300000113.7R296 Y308 N314R296-G310 PolarHBondContact O-N 3.48Å; Y308-G310 PolarHBondContact O-N 2.93Å; G310-N314 WeakPolarHBondContact O-CB 3.39Å; G310-N314 PolarHBondContact O-N 3.46Å; G310-N314 VanDerWaalsContact O-N 3.09Å; G310-N314 PolarHBondContact O-ND2 3.13Å
311E82.3Confident80.8Confident104 Ų10499.6 Ų99.649%0.48651%0.51SS..Hα-helixtrans-68.6-46.1176.7-69.8-178.8164.700111.3V307 Y308 Y313 N314 Q315V307-E311 HydrophobicContact CG1-CB 4.04Å; Y308-E311 PolarHBondContact O-N 2.99Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-Y313 PolarHBondContact O-N 3.47Å; E311-N314 PolarHBondContact O-N 3.45Å; E311-Q315 WeakPolarHBondContact O-CG 3.42Å; E311-Q315 PolarHBondContact O-N 2.95Å
312W81.4Confident79.8Confident105 Ų10598.4 Ų98.440%0.39851%0.505SS..Hα-helixtrans-57.2-48.3176.1175.678.6000111.3V302 V307 Y308 N314 Q315 V316V302-W312 HydrophobicContact CG2-CG 4.32Å; V307-W312 HydrophobicContact CG1-CB 4.08Å; Y308-W312 WeakPolarHBondContact O-CB 3.15Å; Y308-W312 PolarHBondContact O-N 2.8Å; W312-N314 VanDerWaalsContact C-N 3.35Å; W312-N314 PolarHBondContact O-N 3.42Å; W312-Q315 PolarHBondContact O-N 2.93Å; W312-V316 HydrophobicContact CD2-CG2 4.16Å; W312-V316 HydrophobicContact CH2-CG2 4.43Å; W312-V316 HydrophobicContact CZ2-CG2 3.89Å; W312-V316 WeakPolarHBondContact O-CG2 3.18Å; W312-V316 PolarHBondContact O-N 2.9Å
313Y81.9Confident79.4Confident124 Ų124101.1 Ų101.149%0.48652%0.517SS..Hα-helixtrans-58.7-44.5177178.2-95.7000112.2V309 E311 Q315 V316 M317V309-Y313 VanDerWaalsContact O-CB 3.25Å; V309-Y313 WeakPolarHBondContact O-CB 3.35Å; V309-Y313 PolarHBondContact O-N 2.89Å; E311-Y313 VanDerWaalsContact C-N 3.35Å; E311-Y313 PolarHBondContact O-N 3.47Å; Y313-Q315 VanDerWaalsContact C-N 3.34Å; Y313-Q315 PolarHBondContact O-N 2.93Å; Y313-V316 PolarHBondContact O-N 3.33Å; Y313-M317 HydrophobicContact CD1-CG 4.19Å; Y313-M317 HydrophobicContact CE1-CE 4.28Å; Y313-M317 HydrophobicContact CE1-CG 3.82Å; Y313-M317 HydrophobicContact CE2-CE 3.6Å; Y313-M317 HydrophobicContact CE2-CG 4.24Å; Y313-M317 VanDerWaalsContact CZ-CE 3.4Å; Y313-M317 WeakPolarHBondContact O-CB 3.37Å; Y313-M317 WeakPolarHBondContact O-CG 3.28Å; Y313-M317 PolarHBondContact O-N 2.91Å; Y313-M317 WeakPolarHBondContact OH-CE 3.45Å
314N82Confident78.6Confident106 Ų106107.9 Ų107.957%0.56752%0.516SS*.Hα-helixtrans-63.7-38.8177.4-72.6-23.7000112.1G310 E311 W312 M317 A318G310-N314 WeakPolarHBondContact O-CB 3.39Å; G310-N314 PolarHBondContact O-N 3.46Å; G310-N314 VanDerWaalsContact O-N 3.09Å; G310-N314 PolarHBondContact O-ND2 3.13Å; E311-N314 PolarHBondContact O-N 3.45Å; W312-N314 VanDerWaalsContact C-N 3.35Å; W312-N314 PolarHBondContact O-N 3.42Å; N314-M317 PolarHBondContact O-N 3.36Å; N314-A318 WeakPolarHBondContact O-CB 3.24Å; N314-A318 PolarHBondContact O-N 2.99Å
315Q83.5Confident77Confident114 Ų114112.2 Ų112.253%0.53351%0.511SS..Hα-helixtrans-65.6-43.1175.8-71.3175.712.400112E311 W312 Y313 A318 R319E311-Q315 WeakPolarHBondContact O-CG 3.42Å; E311-Q315 PolarHBondContact O-N 2.95Å; W312-Q315 PolarHBondContact O-N 2.93Å; Y313-Q315 VanDerWaalsContact C-N 3.34Å; Y313-Q315 PolarHBondContact O-N 2.93Å; Q315-A318 PolarHBondContact O-N 3.43Å; Q315-R319 PolarHBondContact O-N 3.01Å
316V80.8Confident75.6Confident53 Ų53114.7 Ų114.732%0.32152%0.516SS..Hα-helixtrans-61.9-45.7175.5172.80000110.5W312 Y313 A318 R319 Y320W312-V316 HydrophobicContact CD2-CG2 4.16Å; W312-V316 HydrophobicContact CH2-CG2 4.43Å; W312-V316 HydrophobicContact CZ2-CG2 3.89Å; W312-V316 WeakPolarHBondContact O-CG2 3.18Å; W312-V316 PolarHBondContact O-N 2.9Å; Y313-V316 PolarHBondContact O-N 3.33Å; V316-A318 PolarHBondContact O-N 3.48Å; V316-R319 PolarHBondContact O-N 3.24Å; V316-Y320 PolarHBondContact O-N 3.36Å
317M80.1Confident73.7Confident89 Ų89118 Ų11844%0.43853%0.531SS..Hα-helixtrans-66-37178.5-74.4-58.6-169.300113.2Y313 N314 Y320 R321Y313-M317 HydrophobicContact CD1-CG 4.19Å; Y313-M317 HydrophobicContact CE1-CE 4.28Å; Y313-M317 HydrophobicContact CE1-CG 3.82Å; Y313-M317 HydrophobicContact CE2-CE 3.6Å; Y313-M317 HydrophobicContact CE2-CG 4.24Å; Y313-M317 VanDerWaalsContact CZ-CE 3.4Å; Y313-M317 WeakPolarHBondContact O-CB 3.37Å; Y313-M317 WeakPolarHBondContact O-CG 3.28Å; Y313-M317 PolarHBondContact O-N 2.91Å; Y313-M317 WeakPolarHBondContact OH-CE 3.45Å; N314-M317 PolarHBondContact O-N 3.36Å; M317-Y320 PolarHBondContact O-N 3.21Å; M317-R321 WeakPolarHBondContact O-CB 3.29Å; M317-R321 PolarHBondContact O-N 3.39Å
318A79.9Confident71.6Confident50 Ų50118.6 Ų118.641%0.41354%0.542SS..Hα-helixtrans-64-41.2174.300000111.8N314 Q315 V316 R321 N322N314-A318 WeakPolarHBondContact O-CB 3.24Å; N314-A318 PolarHBondContact O-N 2.99Å; Q315-A318 PolarHBondContact O-N 3.43Å; V316-A318 PolarHBondContact O-N 3.48Å; A318-R321 PolarHBondContact O-N 2.9Å; A318-N322 WeakPolarHBondContact O-CB 3.19Å; A318-N322 PolarHBondContact O-N 3.15Å
319R79.7Confident69.6Low196 Ų196123.8 Ų123.874%0.7456%0.562SS**Hα-helixtrans-62.7-46.7173.8-75.7-170.2179.7-149.21.3111.9Q315 V316 R321 N322 D323Q315-R319 PolarHBondContact O-N 3.01Å; V316-R319 PolarHBondContact O-N 3.24Å; R319-R321 VanDerWaalsContact C-N 3.27Å; R319-R321 PolarHBondContact O-N 2.88Å; R319-N322 PolarHBondContact O-N 2.96Å; R319-D323 PolarHBondContact O-N 2.87Å
320Y75.9Confident67.6Low171 Ų171128.1 Ų128.167%0.67158%0.583SS**Hα-helixtrans-60.8-35.9177.9-121.1-85.4000112.7V316 M317 R324V316-Y320 PolarHBondContact O-N 3.36Å; M317-Y320 PolarHBondContact O-N 3.21Å; Y320-R324 PolarHBondContact O-N 3.33Å
321R71.1Confident65.7Low171 Ų171137.1 Ų137.165%0.64561%0.613SS**Hα-helixtrans-70.3-42.9174.9-173.1-177.7-72.7174.9-3.6112.1M317 A318 R319 R324 Y325M317-R321 WeakPolarHBondContact O-CB 3.29Å; M317-R321 PolarHBondContact O-N 3.39Å; A318-R321 PolarHBondContact O-N 2.9Å; R319-R321 VanDerWaalsContact C-N 3.27Å; R319-R321 PolarHBondContact O-N 2.88Å; R321-R324 PolarHBondContact O-N 3.23Å; R321-Y325 PolarHBondContact O-N 2.87Å; R321-Y325 VanDerWaalsContact O-N 3.07Å
322N63.5Low63.4Low107 Ų107139.6 Ų139.657%0.57262%0.624SS**Hα-helixtrans-66.9-35.5179.5-79.3-2.8000112.7A318 R319 R324 Y325 R326A318-N322 WeakPolarHBondContact O-CB 3.19Å; A318-N322 PolarHBondContact O-N 3.15Å; R319-N322 PolarHBondContact O-N 2.96Å; N322-R324 VanDerWaalsContact C-N 3.32Å; N322-R324 PolarHBondContact O-N 2.94Å; N322-Y325 CarbonylContact O-C 3.22Å; N322-Y325 PolarHBondContact O-N 3.16Å; N322-Y325 VanDerWaalsContact O-N 3.16Å; N322-R326 PolarHBondContact O-N 3.36Å
323D68.1Low60.9Low120 Ų120140.8 Ų140.864%0.64264%0.638SS**Hα-helixtrans-66.1-33.5174.7-84.6-11.6000112.3R319R319-D323 PolarHBondContact O-N 2.87Å
324R60.1Low58.8Low227 Ų227139.7 Ų139.786%0.85764%0.644SS**Hα-helixtrans-70.6-31.6170.2-85.7-157.6-167.1-177.35.2113.5Y320 R321 N322Y320-R324 PolarHBondContact O-N 3.33Å; R321-R324 PolarHBondContact O-N 3.23Å; N322-R324 VanDerWaalsContact C-N 3.32Å; N322-R324 PolarHBondContact O-N 2.94Å
325Y51.4Low56.6Low163 Ų163143.4 Ų143.464%0.63965%0.652SS**THydrogen-bonded Turntrans-106.533.7-178.1-87.1-87.3000112.3R321 N322 N327 G328R321-Y325 PolarHBondContact O-N 2.87Å; R321-Y325 VanDerWaalsContact O-N 3.07Å; N322-Y325 CarbonylContact O-C 3.22Å; N322-Y325 PolarHBondContact O-N 3.16Å; N322-Y325 VanDerWaalsContact O-N 3.16Å; Y325-N327 PolarHBondContact O-N 3.12Å; Y325-G328 PolarHBondContact O-N 3.11Å
326R52.5Low54.3Low210 Ų210144.9 Ų144.979%0.79266%0.662SS**THydrogen-bonded Turntrans-62.34175.4-142.3174179-175.7-0.8114.2N322N322-R326 PolarHBondContact O-N 3.36Å
327N44.2Very low52.3Low165 Ų165147.6 Ų147.688%0.88268%0.679SS**THydrogen-bonded Turntrans-11612.4166.5-69.5-4.6000114.6Y325Y325-N327 PolarHBondContact O-N 3.12Å
328G39.6Very low50.2Low39 Ų39152.5 Ų152.540%0.40270%0.698SS.*SBendtrans-117.5129.6-175.900000113.2Y325Y325-G328 PolarHBondContact O-N 3.11Å
329Y42.6Very low48.4Very low219 Ų219158.1 Ų158.186%0.85972%0.715SS**  trans-59.9143.3-172.8-57.1-87.4000114.6Y331Y329-Y331 PolarHBondContact O-N 3.28Å
330I39.2Very low46.5Very low142 Ų142157.2 Ų157.273%0.72872%0.721SS**  trans-68.7107.7-176.7-58.7163.2000109.7H332I330-H332 VanDerWaalsContact CG2-ND1 3.31Å; I330-H332 WeakPolarHBondContact CG2-ND1 3.37Å; I330-H332 PolarHBondContact O-N 3.13Å; I330-H332 VanDerWaalsContact O-N 3.14Å
331Y39.9Very low45.2Very low204 Ų204153.9 Ų153.980%0.871%0.714SS**  trans-76.693.4157.2-80.5-86.8000108.7Y329Y329-Y331 PolarHBondContact O-N 3.28Å
332H34Very low44.1Very low157 Ų157149.4 Ų149.473%0.72771%0.707SS**THydrogen-bonded Turntrans-61.8136.2152.2-83.30.5000107.6I330I330-H332 VanDerWaalsContact CG2-ND1 3.31Å; I330-H332 WeakPolarHBondContact CG2-ND1 3.37Å; I330-H332 PolarHBondContact O-N 3.13Å; I330-H332 VanDerWaalsContact O-N 3.14Å
333N29.8Very low43.6Very low129 Ų129153 Ų15369%0.6972%0.718SS**THydrogen-bonded Turntrans80.533.1179-51.9-21.4000118.1Y335N333-Y335 HydrophobicContact CB-CD2 4.39Å; N333-Y335 HydrophobicContact CB-CE2 4Å; N333-Y335 PolarHBondContact O-N 2.98Å
334V36.8Very low42.9Very low101 Ų101151 Ų15161%0.61271%0.706SS**  trans-78.787.5152.9-172.50000108.1I336V334-I336 HydrophobicContact CG1-CD1 4.42Å; V334-I336 HydrophobicContact CG1-CG1 3.57Å; V334-I336 PolarHBondContact O-N 3.32Å
335Y35Very low42.7Very low185 Ų185142.4 Ų142.473%0.72568%0.68SS**  trans-61.694.6155.1-60-87.6000106.5N333 T337N333-Y335 HydrophobicContact CB-CD2 4.39Å; N333-Y335 HydrophobicContact CB-CE2 4Å; N333-Y335 PolarHBondContact O-N 2.98Å; Y335-T337 PolarHBondContact O-N 3.07Å
336I36.9Very low42.7Very low144 Ų144146.1 Ų146.174%0.73869%0.693SS**  trans-70.994.2161.8-58-174.6000105.3V334V334-I336 HydrophobicContact CG1-CD1 4.42Å; V334-I336 HydrophobicContact CG1-CG1 3.57Å; V334-I336 PolarHBondContact O-N 3.32Å
337T37.1Very low42.9Very low111 Ų111140 Ų14068%0.68168%0.676SS**  trans-40136.7176.850.10000112.5Y335Y335-T337 PolarHBondContact O-N 3.07Å
338K36.1Very low43.7Very low192 Ų192133.4 Ų133.484%0.83564%0.64SS**SBendtrans16.6107.3155.8-72.4177.3177.3174.40113.9M340K338-M340 PolarHBondContact O-N 3.08Å; K338-M340 VanDerWaalsContact O-N 3.17Å
339H43.2Very low43.9Very low168 Ų168141 Ų14178%0.77866%0.657SS**  trans8.599.5154.5-50.2-93.2000113.1I341H339-I341 HydrophobicContact CB-CD1 4.05Å; H339-I341 HydrophobicContact CB-CG1 3.77Å; H339-I341 PolarHBondContact O-N 3.43Å
340M39.2Very low44.1Very low177 Ų177138.3 Ų138.387%0.87265%0.65SS**  trans-67.773157.2-80.9-175.391.900107K338K338-M340 PolarHBondContact O-N 3.08Å; K338-M340 VanDerWaalsContact O-N 3.17Å
341I48.7Very low44.8Very low100 Ų100135.6 Ų135.651%0.51364%0.636SS.*  trans-55.9119.6149.8-57.7158000102.3H339 F343 I344H339-I341 HydrophobicContact CB-CD1 4.05Å; H339-I341 HydrophobicContact CB-CG1 3.77Å; H339-I341 PolarHBondContact O-N 3.43Å; I341-F343 PolarHBondContact O-N 2.8Å; I341-F343 VanDerWaalsContact O-N 3.13Å; I341-I344 HydrophobicContact CG2-CD1 3.75Å; I341-I344 HydrophobicContact CG2-CG1 4.18Å
342P49Very low45.2Very low78 Ų78135.1 Ų135.151%0.50663%0.632SS.*  trans-48.7130.4170.521.5-31.8000106.7I344P342-I344 WeakPolarHBondContact O-CG1 3.47Å; P342-I344 PolarHBondContact O-N 3.42Å
343F51.7Low46.1Very low182 Ų182137.1 Ų137.180%0.79864%0.635SS**  trans-46.3103.5-172172.1-98.5000110I341 P345I341-F343 PolarHBondContact O-N 2.8Å; I341-F343 VanDerWaalsContact O-N 3.13Å; F343-P345 HydrophobicContact CD1-CB 4.5Å; F343-P345 HydrophobicContact CE1-CB 3.71Å; F343-P345 HydrophobicContact CE1-CG 4.2Å; F343-P345 HydrophobicContact CZ-CB 4.04Å; F343-P345 VanDerWaalsContact O-CD 3.27Å; F343-P345 WeakPolarHBondContact O-CD 3.5Å
344I53.6Low47.2Very low77 Ų77132.2 Ų132.240%0.39561%0.608SS.*  trans-88.7107.7168-65.8166.5000103.3I341 P342 R346 I348I341-I344 HydrophobicContact CG2-CD1 3.75Å; I341-I344 HydrophobicContact CG2-CG1 4.18Å; P342-I344 WeakPolarHBondContact O-CG1 3.47Å; P342-I344 PolarHBondContact O-N 3.42Å; I344-R346 PolarHBondContact O-N 2.94Å; I344-I348 HydrophobicContact CG2-CB 4.03Å; I344-I348 HydrophobicContact CG2-CG2 3.47Å; I344-I348 VanDerWaalsContact CG2-CG2 3.47Å
345P56.2Low47.8Very low47 Ų47128.3 Ų128.331%0.30558%0.584SS.*  trans-54135.2173.818.4-27.6000108.6F343 D347 I348F343-P345 HydrophobicContact CD1-CB 4.5Å; F343-P345 HydrophobicContact CE1-CB 3.71Å; F343-P345 HydrophobicContact CE1-CG 4.2Å; F343-P345 HydrophobicContact CZ-CB 4.04Å; F343-P345 VanDerWaalsContact O-CD 3.27Å; F343-P345 WeakPolarHBondContact O-CD 3.5Å; P345-D347 PolarHBondContact O-N 3.23Å; P345-I348 HydrophobicContact CG-CB 4.42Å; P345-I348 WeakPolarHBondContact O-CB 3.31Å; P345-I348 WeakPolarHBondContact O-CG2 3.31Å; P345-I348 PolarHBondContact O-N 3.43Å
346R51Low48.3Very low241 Ų241127 Ų12791%0.90958%0.578SS**G310 helixtrans-54.8-23.7178-69-176.1178-177.8-0.2112.1I344I344-R346 PolarHBondContact O-N 2.94Å
347D57.3Low48.9Very low82 Ų82123.4 Ų123.444%0.43957%0.566SS.*G310 helixtrans-86.82.7178.8-60.4-36.2000114.5P345 R349 K350 I351P345-D347 PolarHBondContact O-N 3.23Å; D347-R349 PolarHBondContact O-N 3.34Å; D347-R349 VanDerWaalsContact O-N 3.12Å; D347-K350 HydrophobicContact CB-CB 4.36Å; D347-K350 HydrophobicContact CB-CD 4.04Å; D347-K350 HydrophobicContact CB-CG 4.38Å; D347-K350 WeakPolarHBondContact O-CA 3.48Å; D347-K350 VanDerWaalsContact O-CB 3.28Å; D347-K350 WeakPolarHBondContact O-CB 3.43Å; D347-K350 PolarHBondContact O-N 2.93Å; D347-K350 WeakPolarHBondContact OD1-CD 3.44Å; D347-K350 WeakPolarHBondContact OD1-CE 3.37Å; D347-K350 IonicContact OD1-NZ 3.68Å; D347-K350 PolarHBondContact OD1-NZ 2.89Å; D347-I351 PolarHBondContact O-N 2.8Å
348I60.4Low49.2Very low26 Ų26118.8 Ų118.813%0.13354%0.538CS..G310 helixtrans-53.9-36.7176.6-164.469.3000111.3I344 P345 K350 I351 I354I344-I348 HydrophobicContact CG2-CB 4.03Å; I344-I348 HydrophobicContact CG2-CG2 3.47Å; I344-I348 VanDerWaalsContact CG2-CG2 3.47Å; P345-I348 HydrophobicContact CG-CB 4.42Å; P345-I348 WeakPolarHBondContact O-CB 3.31Å; P345-I348 WeakPolarHBondContact O-CG2 3.31Å; P345-I348 PolarHBondContact O-N 3.43Å; I348-K350 VanDerWaalsContact C-N 3.3Å; I348-K350 PolarHBondContact O-N 3.36Å; I348-I351 HydrophobicContact CD1-CD1 4.36Å; I348-I351 WeakPolarHBondContact O-CB 3.45Å; I348-I351 PolarHBondContact O-N 3Å; I348-I351 VanDerWaalsContact O-N 3.12Å; I348-I354 HydrophobicContact CD1-CD1 3.86Å
349R44.5Very low49.5Very low200 Ų200113.7 Ų113.776%0.75552%0.517SS*.G310 helixtrans-70.7-21.8175.9-63.3-173.1-177.7-172.5-0.7113.5D347 I351D347-R349 PolarHBondContact O-N 3.34Å; D347-R349 VanDerWaalsContact O-N 3.12Å; R349-I351 VanDerWaalsContact C-N 3.31Å
350K46.5Very low49.6Very low162 Ų162108.9 Ų108.970%0.70450%0.503SS*.G310 helixtrans-76.7-21.5171.9-63.2-178.3-177.1158.60111.5D347 I348 R352D347-K350 HydrophobicContact CB-CB 4.36Å; D347-K350 HydrophobicContact CB-CD 4.04Å; D347-K350 HydrophobicContact CB-CG 4.38Å; D347-K350 WeakPolarHBondContact O-CA 3.48Å; D347-K350 VanDerWaalsContact O-CB 3.28Å; D347-K350 WeakPolarHBondContact O-CB 3.43Å; D347-K350 PolarHBondContact O-N 2.93Å; D347-K350 WeakPolarHBondContact OD1-CD 3.44Å; D347-K350 WeakPolarHBondContact OD1-CE 3.37Å; D347-K350 IonicContact OD1-NZ 3.68Å; D347-K350 PolarHBondContact OD1-NZ 2.89Å; I348-K350 VanDerWaalsContact C-N 3.3Å; I348-K350 PolarHBondContact O-N 3.36Å; K350-R352 PolarHBondContact O-N 2.92Å
351I53.6Low49.6Very low85 Ų85106.6 Ų106.644%0.43649%0.493SS..SBendtrans-76.584.2170.3-50.6178.5000107.8D347 I348 R349 Y353 I354D347-I351 PolarHBondContact O-N 2.8Å; I348-I351 HydrophobicContact CD1-CD1 4.36Å; I348-I351 WeakPolarHBondContact O-CB 3.45Å; I348-I351 PolarHBondContact O-N 3Å; I348-I351 VanDerWaalsContact O-N 3.12Å; R349-I351 VanDerWaalsContact C-N 3.31Å; I351-Y353 PolarHBondContact O-N 2.75Å; I351-I354 HydrophobicContact CB-CD1 4Å; I351-I354 HydrophobicContact CB-CG1 4.37Å; I351-I354 HydrophobicContact CD1-CD1 3.96Å; I351-I354 HydrophobicContact CG2-CD1 3.62Å; I351-I354 HydrophobicContact CG2-CG1 3.75Å; I351-I354 PolarHBondContact O-N 2.94Å
352R47.7Very low48.9Very low193 Ų193105 Ų10573%0.72849%0.491SS*.THydrogen-bonded Turntrans-51.1-19.8-173.4-160.5176.3-165166.54.5114.6K350 W356K350-R352 PolarHBondContact O-N 2.92Å; R352-W356 WeakPolarHBondContact O-CB 3.49Å
353Y53.1Low48.2Very low200 Ų200105 Ų10578%0.78449%0.493SS*.THydrogen-bonded Turntrans-96.5-15.5-173.1-68.9-81.9000115.7I351I351-Y353 PolarHBondContact O-N 2.75Å
354I53.3Low47.6Very low25 Ų2598.3 Ų98.313%0.12847%0.467CS..THydrogen-bonded Turntrans-81.5-46-175.1-65.1172.6000111.2I282 H286 I348 I351I282-I354 HydrophobicContact CG2-CD1 4.18Å; I282-I354 HydrophobicContact CG2-CG1 4.3Å; H286-I354 HydrophobicContact CB-CG2 4.27Å; I348-I354 HydrophobicContact CD1-CD1 3.86Å; I351-I354 HydrophobicContact CB-CD1 4Å; I351-I354 HydrophobicContact CB-CG1 4.37Å; I351-I354 HydrophobicContact CD1-CD1 3.96Å; I351-I354 HydrophobicContact CG2-CD1 3.62Å; I351-I354 HydrophobicContact CG2-CG1 3.75Å; I351-I354 PolarHBondContact O-N 2.94Å
355D49.7Very low46.7Very low19 Ų19100 Ų10010%0.10248%0.477CS..SBendtrans-104.1-8-169.8-82.6-37.6000115.3H286 R290 S357 S358 E359H286-D355 IonicContact CE1-OD1 3.66Å; H286-D355 PolarHBondContact CE1-OD1 2.84Å; H286-D355 IonicContact CE1-OD2 2.81Å; H286-D355 IonicContact ND1-OD1 3.66Å; H286-D355 PolarHBondContact ND1-OD1 2.93Å; R290-D355 IonicContact CZ-OD1 3.78Å; R290-D355 IonicContact NH1-OD1 3.5Å; R290-D355 PolarHBondContact NH1-OD1 3.17Å; R290-D355 IonicContact NH2-OD1 2.82Å; D355-S357 PolarHBondContact O-N 3.29Å; D355-S357 VanDerWaalsContact O-N 3.11Å; D355-S358 WeakPolarHBondContact CA-OG 3.01Å; D355-S358 CarbonylContact O-C 3.38Å; D355-S358 WeakPolarHBondContact O-CA 3.31Å; D355-S358 PolarHBondContact O-N 3Å; D355-S358 PolarHBondContact O-OG 2.94Å; D355-S358 PolarHBondContact OD1-OG 2.93Å; D355-S358 VanDerWaalsContact OD1-OG 3.1Å; D355-E359 PolarHBondContact O-N 2.85Å
356W45.7Very low45.6Very low157 Ų157102.8 Ų102.860%0.59550%0.498SS*.Hα-helixtrans-61.1-28.9-174-154.552000113.4H198 R352 S360H198-W356 AromaticContact CE1-CZ3 3.99Å; H198-W356 AromaticContact NE2-CZ3 3.46Å; H198-W356 WeakPolarHBondContact NE2-CZ3 3.45Å; R352-W356 WeakPolarHBondContact O-CB 3.49Å; W356-S360 WeakPolarHBondContact O-CB 3.4Å; W356-S360 PolarHBondContact O-N 3.42Å; W356-S360 PolarHBondContact O-OG 3.22Å
357S48.5Very low44.7Very low70 Ų7094.9 Ų94.949%0.4948%0.484SS..Hα-helixtrans-78.7-20.7173.265.90000114D355 S360D355-S357 PolarHBondContact O-N 3.29Å; D355-S357 VanDerWaalsContact O-N 3.11Å; S357-S360 WeakPolarHBondContact CA-OG 3.43Å; S357-S360 PolarHBondContact O-OG 3.45Å
358S44.5Very low43.5Very low14 Ų14101.1 Ų101.110%0.09850%0.502CS..Hα-helixtrans-94.2-29173.441.90000113.2R290 D355 L361 S362R290-S358 PolarHBondContact NH1-OG 2.95Å; R290-S358 PolarHBondContact NH2-OG 2.78Å; D355-S358 WeakPolarHBondContact CA-OG 3.01Å; D355-S358 CarbonylContact O-C 3.38Å; D355-S358 WeakPolarHBondContact O-CA 3.31Å; D355-S358 PolarHBondContact O-N 3Å; D355-S358 PolarHBondContact O-OG 2.94Å; D355-S358 PolarHBondContact OD1-OG 2.93Å; D355-S358 VanDerWaalsContact OD1-OG 3.1Å; S358-L361 CarbonylContact O-C 3.52Å; S358-L361 VanDerWaalsContact O-CA 3.28Å; S358-L361 WeakPolarHBondContact O-CA 3.33Å; S358-L361 WeakPolarHBondContact O-CB 3.28Å; S358-L361 PolarHBondContact O-N 3Å; S358-S362 WeakPolarHBondContact O-CB 3.35Å; S358-S362 PolarHBondContact O-N 3.5Å; S358-S362 PolarHBondContact O-OG 2.93Å
359E42.7Very low42.3Very low84 Ų84107.4 Ų107.439%0.39354%0.537SS..Hα-helixtrans-72.5-33171.5-78.9-176.1164.700111D355 L361 S362 S363D355-E359 PolarHBondContact O-N 2.85Å; E359-L361 PolarHBondContact O-N 2.82Å; E359-L361 VanDerWaalsContact O-N 3.17Å; E359-S362 PolarHBondContact O-N 3.48Å; E359-S363 WeakPolarHBondContact O-CA 3.43Å; E359-S363 WeakPolarHBondContact O-CB 3.4Å; E359-S363 PolarHBondContact O-N 3.21Å; E359-S363 PolarHBondContact O-OG 3.02Å
360S44.5Very low42.2Very low68 Ų68102.5 Ų102.548%0.47653%0.533SS..Hα-helixtrans-64.8-11163.651.30000113.5W356 S357 V364W356-S360 WeakPolarHBondContact O-CB 3.4Å; W356-S360 PolarHBondContact O-N 3.42Å; W356-S360 PolarHBondContact O-OG 3.22Å; S357-S360 WeakPolarHBondContact CA-OG 3.43Å; S357-S360 PolarHBondContact O-OG 3.45Å; S360-V364 WeakPolarHBondContact O-CG2 3.43Å
361L39.3Very low42Very low128 Ų128105.2 Ų105.267%0.6755%0.545SS*.Hα-helixtrans-99.6-33.3173.8-159.868.2000112.7S358 E359S358-L361 CarbonylContact O-C 3.52Å; S358-L361 VanDerWaalsContact O-CA 3.28Å; S358-L361 WeakPolarHBondContact O-CA 3.33Å; S358-L361 WeakPolarHBondContact O-CB 3.28Å; S358-L361 PolarHBondContact O-N 3Å; E359-L361 PolarHBondContact O-N 2.82Å; E359-L361 VanDerWaalsContact O-N 3.17Å
362S34Very low41.7Very low68 Ų68104 Ų10448%0.47654%0.544SS..Hα-helixtrans-104.2-29.4-173.968.30000114.5S358 E359 V364 D365S358-S362 WeakPolarHBondContact O-CB 3.35Å; S358-S362 PolarHBondContact O-N 3.5Å; S358-S362 PolarHBondContact O-OG 2.93Å; E359-S362 PolarHBondContact O-N 3.48Å; S362-V364 PolarHBondContact O-N 3.21Å; S362-V364 VanDerWaalsContact O-N 3.16Å; S362-D365 PolarHBondContact O-N 2.89Å
363S34.9Very low41.9Very low78 Ų7896.3 Ų96.355%0.54552%0.519SS..THydrogen-bonded Turntrans-71.3-2.4170.769.60000113E359E359-S363 WeakPolarHBondContact O-CA 3.43Å; E359-S363 WeakPolarHBondContact O-CB 3.4Å; E359-S363 PolarHBondContact O-N 3.21Å; E359-S363 PolarHBondContact O-OG 3.02Å
364V37.6Very low41.9Very low41 Ų4191.5 Ų91.525%0.24850%0.503CS..THydrogen-bonded Turntrans-87.5-14.3175.6172.70000112.1S360 S362 S366 K374S360-V364 WeakPolarHBondContact O-CG2 3.43Å; S362-V364 PolarHBondContact O-N 3.21Å; S362-V364 VanDerWaalsContact O-N 3.16Å; V364-S366 PolarHBondContact O-N 3.41Å; V364-K374 HydrophobicContact CG1-CD 4.46Å; V364-K374 WeakPolarHBondContact O-CE 3.35Å; V364-K374 PolarHBondContact O-NZ 3.22Å
365D34.8Very low41.6Very low112 Ų11295.6 Ų95.660%0.59952%0.517SS*.THydrogen-bonded Turntrans-76.4-18.4-179.3-76.5-26.4000113.8S362 Y368S362-D365 PolarHBondContact O-N 2.89Å; D365-Y368 WeakPolarHBondContact O-CD2 3.49Å
366S33.9Very low41.7Very low106 Ų10697.2 Ų97.274%0.74153%0.529SS*.THydrogen-bonded Turntrans-93.91.8-17651.60000116V364 Y368V364-S366 PolarHBondContact O-N 3.41Å; S366-Y368 PolarHBondContact O-N 2.8Å
367A32.1Very low41.8Very low75 Ų7597.3 Ų97.362%0.6254%0.536SS*.  trans-100.772.6173.500000110.7
368Y32.7Very low41.7Very low212 Ų21296.3 Ų96.383%0.83153%0.529SS*.  trans-92.888.1169.3-97.5-93.1000109D365 S366D365-Y368 WeakPolarHBondContact O-CD2 3.49Å; S366-Y368 PolarHBondContact O-N 2.8Å
369D35.4Very low41.5Very low159 Ų159106.5 Ų106.585%0.8557%0.565SS**  trans-175.2150.7139.4-132.5-26.3000111.5
370S41.1Very low41.2Very low97 Ų97111 Ų11168%0.67859%0.589SS**  trans101.8129.9174.382.20000119.3S372S370-S372 PolarHBondContact O-N 3.15Å
371K42.5Very low41Very low218 Ų218112.4 Ų112.495%0.94860%0.597SS**SBendtrans-79.541.3-162.9-69172.4172.1172.80116
372S48.6Very low40.7Very low60 Ų60111.8 Ų111.842%0.4260%0.601SS.*SBendtrans-143.5152.7172.974.10000110.6S370S370-S372 PolarHBondContact O-N 3.15Å
373C51.4Low40.7Very low32 Ų32114.8 Ų114.822%0.21662%0.616CS.*  trans-84.7134.3-159.9-165.80000119.4Y375 C376 H377C373-Y375 VanDerWaalsContact C-N 3.34Å; C373-Y375 PolarHBondContact O-N 2.91Å; C373-Y375 PolarHBondContact SG-N 3.05Å; C373-C376 VanDerWaalsContact CB-C 3.5Å; C373-C376 PolarHBondContact SG-N 3.44Å; C373-H377 HydrophobicContact CB-CB 3.37Å; C373-H377 WeakPolarHBondContact CB-O 3.28Å; C373-H377 PolarHBondContact N-O 3.44Å; C373-H377 PolarHBondContact SG-CD2 3.04Å; C373-H377 PolarHBondContact SG-N 3.06Å
374K53.3Low40.7Very low99 Ų99116.9 Ų116.943%0.4363%0.625SS.*SBendtrans-51-15162-151.7164.2179.31760118.7V364V364-K374 HydrophobicContact CG1-CD 4.46Å; V364-K374 WeakPolarHBondContact O-CE 3.35Å; V364-K374 PolarHBondContact O-NZ 3.22Å
375Y46Very low40.3Very low111 Ų111122.6 Ų122.644%0.43565%0.653SS.*SBendtrans-158.88.5161.6-68.7-54.5000116.4C188 K191 C373C188-Y375 WeakPolarHBondContact SG-CA 2.97Å; C188-Y375 PolarHBondContact SG-O 3.34Å; K191-Y375 HydrophobicContact CD-CD1 3.65Å; K191-Y375 HydrophobicContact CD-CE1 3.07Å; K191-Y375 HydrophobicContact CG-CE1 4.4Å; K191-Y375 VanDerWaalsContact NZ-CE1 3.31Å; K191-Y375 PolarHBondContact NZ-OH 2.94Å; C373-Y375 VanDerWaalsContact C-N 3.34Å; C373-Y375 PolarHBondContact O-N 2.91Å; C373-Y375 PolarHBondContact SG-N 3.05Å
376C53.3Low40.2Very low52 Ų52122.9 Ų122.935%0.35166%0.659SS.*SBendtrans154.27.114673.50000118.9C373 S378C373-C376 VanDerWaalsContact CB-C 3.5Å; C373-C376 PolarHBondContact SG-N 3.44Å; C376-S378 VanDerWaalsContact C-N 3.33Å; C376-S378 PolarHBondContact O-N 3.42Å
377H45.9Very low40Very low159 Ų159126.1 Ų126.174%0.73666%0.662SS**  trans-51.788.3159.4-53.2-111000113.5C373C373-H377 HydrophobicContact CB-CB 3.37Å; C373-H377 WeakPolarHBondContact CB-O 3.28Å; C373-H377 PolarHBondContact N-O 3.44Å; C373-H377 PolarHBondContact SG-CD2 3.04Å; C373-H377 PolarHBondContact SG-N 3.06Å
378S47.1Very low40Very low50 Ų50128.2 Ų128.235%0.3567%0.67SS.*  trans-63.6154.7160.692.30000110.5F182 C376F182-S378 WeakPolarHBondContact CE2-OG 3.44Å; F182-S378 WeakPolarHBondContact CZ-OG 3.23Å; C376-S378 VanDerWaalsContact C-N 3.33Å; C376-S378 PolarHBondContact O-N 3.42Å
379R41.3Very low40Very low227 Ų227127.6 Ų127.686%0.85767%0.671SS**SBend-124.7125.273.2-67.2178.8173.6-175.6-3.2113
380M36.5Very low39.7Very low179 Ų179125.2 Ų125.288%0.88267%0.667SS**  trans70.3100.7169.4-59.7-178.9174.900117.4
381C38.8Very low39.3Very low97 Ų97129.9 Ų129.966%0.65568%0.675SS**PPolyproline II helixtrans-77.3135.3177.8-61.80000112.8
382P34.8Very low38.7Very low116 Ų116130.8 Ų130.875%0.75367%0.673SS**PPolyproline II helixtrans-93135.9175.233.5-29.1000112.8
383V33.7Very low38Very low130 Ų130137.1 Ų137.179%0.78869%0.693SS**PPolyproline II helixtrans-60.9140.2177.1175.70000110.5I385V383-I385 PolarHBondContact O-N 3.1Å
384V34.1Very low36.7Very low123 Ų123140.6 Ų140.675%0.74571%0.713SS**  trans-53.5104.1170.6178.80000108.7T386V384-T386 VanDerWaalsContact C-N 3.29Å; V384-T386 HydrophobicContact CG1-CG2 4.33Å; V384-T386 PolarHBondContact O-N 3.04Å
385I29.7Very low35.8Very low160 Ų160146.1 Ų146.182%0.82173%0.733SS**  trans-75.391.8169-57.2174.6000105.8V383 E387V383-I385 PolarHBondContact O-N 3.1Å; I385-E387 PolarHBondContact O-N 3.08Å
386T31.6Very low34.8Very low119 Ų119150 Ų15073%0.7375%0.752SS**  trans-57.4132.8160.449.30000108V384V384-T386 VanDerWaalsContact C-N 3.29Å; V384-T386 HydrophobicContact CG1-CG2 4.33Å; V384-T386 PolarHBondContact O-N 3.04Å
387E30Very low34.1Very low174 Ų174160.9 Ų160.981%0.81379%0.794SS**  trans-34.6142.3-171-67.7172.4154.300115.5I385 K389I385-E387 PolarHBondContact O-N 3.08Å; E387-K389 PolarHBondContact O-N 3.04Å
388P32.6Very low33.5Very low119 Ų119161 Ų16177%0.77380%0.797SS**  trans-63114.8178.626.7-31.5000108.7S390P388-S390 PolarHBondContact O-N 2.78Å
389K31.9Very low32.8Very low198 Ų198166.8 Ų166.886%0.86182%0.82SS**  trans-51.9107.7162.4-82.5-175.3177.2175.60107.3E387 K391E387-K389 PolarHBondContact O-N 3.04Å; K389-K391 PolarHBondContact O-N 3.31Å
390S30.3Very low32.3Very low110 Ų110163.4 Ų163.477%0.76982%0.818SS**  trans-50.7108.4164118.90000107.4P388P388-S390 PolarHBondContact O-N 2.78Å
391K32.8Very low32.1Very low195 Ų195162.5 Ų162.585%0.84882%0.815SS**  trans-134.185.1151.9-78.7-164.6176.5-178.50107.4K389 K393K389-K391 PolarHBondContact O-N 3.31Å; K391-K393 PolarHBondContact O-N 3.44Å
392R28.8Very low31.7Very low236 Ų236166.6 Ų166.689%0.89183%0.825SS**  trans-42.6128.7144.5-77.8177.3178.4168.2-0.8108.3
393K33.6Very low31.4Very low194 Ų194170 Ų17084%0.84383%0.829SS**  -162103126.8-101.9173.8-174.3-170.30108.2K391K391-K393 PolarHBondContact O-N 3.44Å
394T25.5Very low31.3Very low105 Ų105172.9 Ų172.964%0.64483%0.832SS**  trans-26.3144.8135.941.30000111.3
395Y33Very low31.1Very low214 Ų214176.7 Ų176.784%0.83984%0.839SS**  -153.7142.767.3-78.8-88.3000112.4
396F26.1Very low31.2Very low194 Ų194178.1 Ų178.185%0.85184%0.84SS**  trans-59.5126.3150.4-88.2-105.3000109.4
397F38Very low31.1Very low279 Ų279183.5 Ų183.5100%1.22485%0.851SS**  -168.60107-103.1-76.4000108.5

Retrieved 397 of 397 residues in 1901.3 ms (Link to these results)

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