A0A077ZIB8_TRITR Loading...

HEAT repeat-containing protein 1

AlphaFold DB , UniProt , Accession A0A077ZIB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 879 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
1M57.8Low81.7Confident179 Ų17986.9 Ų86.988%0.88242%0.424SS*.  0146.40-65.1-173.287.300108.5A5 I6M1-A5 HydrophobicContact CB-CB 4.36Å; M1-A5 HydrophobicContact CE-CB 4.02Å; M1-I6 HydrophobicContact CB-CD1 4.1Å; M1-I6 HydrophobicContact CB-CG1 3.67Å; M1-I6 HydrophobicContact SD-CG1 4.44Å
2S79.1Confident82.3Confident78 Ų7893.3 Ų93.355%0.54544%0.44SS..  trans-64.4154.6172.361.50000110.6R4 A5 I6S2-R4 PolarHBondContact O-N 3.34Å; S2-A5 PolarHBondContact O-N 3.47Å; S2-A5 WeakPolarHBondContact OG-CB 3.22Å; S2-A5 PolarHBondContact OG-N 3.24Å; S2-I6 PolarHBondContact O-N 3.36Å; S2-I6 VanDerWaalsContact O-N 3.15Å
3E79Confident83Confident116 Ų11686.6 Ų86.654%0.54241%0.409SS..Hα-helixtrans-56.3-37.1179-61.1-174.1154.400112.2I6 T7 W46E3-I6 PolarHBondContact O-N 3.46Å; E3-T7 WeakPolarHBondContact O-CB 3.42Å; E3-T7 PolarHBondContact O-N 3.35Å; E3-T7 PolarHBondContact O-OG1 3.23Å; E3-W46 HydrophobicContact CB-CD2 4.32Å; E3-W46 HydrophobicContact CB-CE3 4.4Å; E3-W46 HydrophobicContact CB-CH2 4.34Å; E3-W46 HydrophobicContact CB-CZ2 4.17Å; E3-W46 HydrophobicContact CB-CZ3 4.43Å; E3-W46 HydrophobicContact CG-CD2 4.39Å; E3-W46 HydrophobicContact CG-CH2 4.49Å; E3-W46 HydrophobicContact CG-CZ2 3.86Å; E3-W46 PolarHBondContact OE1-NE1 3.48Å
4R80.6Confident83.5Confident210 Ų21081.4 Ų81.479%0.79239%0.386SS*.Hα-helixtrans-61-48.8173.5-71.1-174-178.8177.80.4112S2 I6 T7 D8S2-R4 PolarHBondContact O-N 3.34Å; R4-I6 VanDerWaalsContact C-N 3.27Å; R4-I6 PolarHBondContact O-N 3.34Å; R4-T7 WeakPolarHBondContact O-CB 3.49Å; R4-T7 PolarHBondContact O-N 3.23Å; R4-T7 VanDerWaalsContact O-N 3.16Å; R4-D8 PolarHBondContact O-N 3.23Å
5A82.4Confident83.9Confident31 Ų3188.4 Ų88.426%0.25641%0.407SS..Hα-helixtrans-63.1-34-178.600000112.6M1 S2 E9M1-A5 HydrophobicContact CB-CB 4.36Å; M1-A5 HydrophobicContact CE-CB 4.02Å; S2-A5 PolarHBondContact O-N 3.47Å; S2-A5 WeakPolarHBondContact OG-CB 3.22Å; S2-A5 PolarHBondContact OG-N 3.24Å; A5-E9 PolarHBondContact O-N 3.07Å; A5-E9 VanDerWaalsContact O-N 3.15Å
6I83.5Confident84.4Confident29 Ų2986.1 Ų86.115%0.14940%0.398CS..Hα-helixtrans-72.5-43.2175.6-59.7167.2000110.9M1 S2 E3 R4 D8 E9 I10 L41 W46M1-I6 HydrophobicContact CB-CD1 4.1Å; M1-I6 HydrophobicContact CB-CG1 3.67Å; M1-I6 HydrophobicContact SD-CG1 4.44Å; S2-I6 PolarHBondContact O-N 3.36Å; S2-I6 VanDerWaalsContact O-N 3.15Å; E3-I6 PolarHBondContact O-N 3.46Å; R4-I6 VanDerWaalsContact C-N 3.27Å; R4-I6 PolarHBondContact O-N 3.34Å; I6-D8 VanDerWaalsContact C-N 3.29Å; I6-D8 PolarHBondContact O-N 3.33Å; I6-E9 WeakPolarHBondContact O-CB 3.39Å; I6-E9 PolarHBondContact O-N 3.34Å; I6-E9 VanDerWaalsContact O-N 3.12Å; I6-I10 HydrophobicContact CG2-CD1 4.46Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 2.98Å; I6-L41 HydrophobicContact CG2-CD1 3.71Å; I6-L41 HydrophobicContact CG2-CD2 3.52Å; I6-L41 HydrophobicContact CG2-CG 4.25Å; I6-W46 HydrophobicContact CB-CH2 3.92Å; I6-W46 HydrophobicContact CB-CZ3 4.2Å; I6-W46 HydrophobicContact CD1-CH2 3.9Å; I6-W46 HydrophobicContact CD1-CZ2 4.5Å; I6-W46 HydrophobicContact CG2-CH2 3.96Å; I6-W46 HydrophobicContact CG2-CZ3 4.2Å
7T83.5Confident84.7Confident33 Ų3381.1 Ų81.120%0.20238%0.375CS..Hα-helixtrans-59.1-42.8176.7-58.60000111.4E3 R4 E9 I10 W11 P50E3-T7 WeakPolarHBondContact O-CB 3.42Å; E3-T7 PolarHBondContact O-N 3.35Å; E3-T7 PolarHBondContact O-OG1 3.23Å; R4-T7 WeakPolarHBondContact O-CB 3.49Å; R4-T7 PolarHBondContact O-N 3.23Å; R4-T7 VanDerWaalsContact O-N 3.16Å; T7-E9 VanDerWaalsContact C-N 3.31Å; T7-E9 PolarHBondContact O-N 2.97Å; T7-I10 PolarHBondContact O-N 2.89Å; T7-W11 VanDerWaalsContact O-CD1 3.3Å; T7-W11 PolarHBondContact O-N 3.31Å; T7-P50 HydrophobicContact CG2-CG 4.2Å
8D85.8Confident84.7Confident104 Ų10478.7 Ų78.756%0.55638%0.376SS*.Hα-helixtrans-63.2-37.4175.2-71.3-26.1000111.9R4 I6 W11 R12R4-D8 PolarHBondContact O-N 3.23Å; I6-D8 VanDerWaalsContact C-N 3.29Å; I6-D8 PolarHBondContact O-N 3.33Å; D8-W11 PolarHBondContact O-N 3.3Å; D8-R12 WeakPolarHBondContact O-CB 3.38Å; D8-R12 PolarHBondContact O-N 3.49Å
9E87.7Confident84.8Confident78 Ų7876.6 Ų76.636%0.36437%0.371SS..Hα-helixtrans-67.4-37.9175.9-168.660.4-161.800112.1A5 I6 T7 R12 L13A5-E9 PolarHBondContact O-N 3.07Å; A5-E9 VanDerWaalsContact O-N 3.15Å; I6-E9 WeakPolarHBondContact O-CB 3.39Å; I6-E9 PolarHBondContact O-N 3.34Å; I6-E9 VanDerWaalsContact O-N 3.12Å; T7-E9 VanDerWaalsContact C-N 3.31Å; T7-E9 PolarHBondContact O-N 2.97Å; E9-R12 WeakPolarHBondContact O-CB 3.33Å; E9-R12 PolarHBondContact O-N 3.38Å; E9-R12 IonicContact OE2-NH1 3.25Å; E9-L13 WeakPolarHBondContact O-CB 3.33Å; E9-L13 PolarHBondContact O-N 2.93Å
10I89.5Confident84.5Confident0 Ų077.8 Ų77.80%039%0.393CS..Hα-helixtrans-61.7-47.6173-58.3166.7000109.8I6 T7 R12 L13 V14 F34 L41 A47 P50 L51 L54I6-I10 HydrophobicContact CG2-CD1 4.46Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 2.98Å; T7-I10 PolarHBondContact O-N 2.89Å; I10-R12 VanDerWaalsContact C-N 3.33Å; I10-R12 PolarHBondContact O-N 3.11Å; I10-L13 WeakPolarHBondContact O-CB 3.34Å; I10-L13 PolarHBondContact O-N 2.69Å; I10-L13 VanDerWaalsContact O-N 3.16Å; I10-V14 HydrophobicContact CG2-CG2 4.46Å; I10-V14 WeakPolarHBondContact O-CG2 3.06Å; I10-V14 PolarHBondContact O-N 2.91Å; I10-F34 HydrophobicContact CG1-CE2 4.01Å; I10-F34 HydrophobicContact CG1-CZ 3.86Å; I10-L41 HydrophobicContact CD1-CD1 4.25Å; I10-L41 HydrophobicContact CG1-CD1 4.47Å; I10-A47 HydrophobicContact CD1-CB 4.32Å; I10-P50 HydrophobicContact CB-CB 4.12Å; I10-P50 HydrophobicContact CD1-CB 4.44Å; I10-P50 HydrophobicContact CD1-CG 3.96Å; I10-P50 HydrophobicContact CG2-CB 3.73Å; I10-P50 HydrophobicContact CG2-CG 4.37Å; I10-L51 HydrophobicContact CD1-CD2 4.23Å; I10-L51 HydrophobicContact CD1-CG 4.26Å; I10-L51 HydrophobicContact CG2-CD2 4.46Å; I10-L54 HydrophobicContact CG2-CB 4.43Å; I10-L54 HydrophobicContact CG2-CD2 4.32Å
11W90Very high84.5Confident98 Ų9882.6 Ų82.637%0.37141%0.414SS..Hα-helixtrans-64-37.5177.9-81.4117.7000112.9T7 D8 L13 V14 R15 P50 E53T7-W11 VanDerWaalsContact O-CD1 3.3Å; T7-W11 PolarHBondContact O-N 3.31Å; D8-W11 PolarHBondContact O-N 3.3Å; W11-L13 VanDerWaalsContact C-N 3.28Å; W11-L13 PolarHBondContact O-N 2.78Å; W11-V14 HydrophobicContact CE3-CB 4.23Å; W11-V14 HydrophobicContact CE3-CG1 4.19Å; W11-V14 HydrophobicContact CE3-CG2 4.48Å; W11-V14 HydrophobicContact CZ3-CG1 4.2Å; W11-V14 PolarHBondContact O-N 3.17Å; W11-R15 WeakPolarHBondContact O-CG 3.38Å; W11-R15 PolarHBondContact O-N 3.23Å; W11-P50 HydrophobicContact CD2-CB 4.44Å; W11-P50 HydrophobicContact CZ2-CB 4.26Å; W11-E53 HydrophobicContact CH2-CB 4.11Å; W11-E53 HydrophobicContact CH2-CG 4.12Å; W11-E53 HydrophobicContact CZ3-CB 4.21Å; W11-E53 HydrophobicContact CZ3-CG 3.9Å
12R88.6Confident85.8Confident163 Ų16374.9 Ų74.962%0.61538%0.378SS*.Hα-helixtrans-59.7-43.2173.2-173.1-176.2-174.9173.53.1110.7D8 E9 I10 R15 L16D8-R12 WeakPolarHBondContact O-CB 3.38Å; D8-R12 PolarHBondContact O-N 3.49Å; E9-R12 WeakPolarHBondContact O-CB 3.33Å; E9-R12 PolarHBondContact O-N 3.38Å; E9-R12 IonicContact OE2-NH1 3.25Å; I10-R12 VanDerWaalsContact C-N 3.33Å; I10-R12 PolarHBondContact O-N 3.11Å; R12-R15 PolarHBondContact O-N 3.22Å; R12-L16 WeakPolarHBondContact O-CB 3.47Å; R12-L16 PolarHBondContact O-N 2.78Å
13L91.1Very high86.3Confident7 Ų773.3 Ų73.34%0.03737%0.367CS..Hα-helixtrans-68.1-42.6177.8-167.2141.4000111.7E9 I10 W11 R15 L16 L17 A30 L31 F34 L54E9-L13 WeakPolarHBondContact O-CB 3.33Å; E9-L13 PolarHBondContact O-N 2.93Å; I10-L13 WeakPolarHBondContact O-CB 3.34Å; I10-L13 PolarHBondContact O-N 2.69Å; I10-L13 VanDerWaalsContact O-N 3.16Å; W11-L13 VanDerWaalsContact C-N 3.28Å; W11-L13 PolarHBondContact O-N 2.78Å; L13-R15 VanDerWaalsContact C-N 3.32Å; L13-R15 PolarHBondContact O-N 2.75Å; L13-L16 PolarHBondContact O-N 3.36Å; L13-L17 HydrophobicContact CD2-CD1 3.52Å; L13-L17 HydrophobicContact CD2-CG 4.01Å; L13-L17 HydrophobicContact CG-CD1 4.46Å; L13-L17 HydrophobicContact CG-CG 4.47Å; L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.39Å; L13-A30 HydrophobicContact CD1-CB 4.46Å; L13-L31 HydrophobicContact CD2-CD2 4.14Å; L13-F34 HydrophobicContact CD1-CB 3.41Å; L13-F34 VanDerWaalsContact CD1-CB 3.41Å; L13-F34 HydrophobicContact CD1-CD1 3.94Å; L13-F34 HydrophobicContact CD1-CD2 4.1Å; L13-F34 HydrophobicContact CD1-CG 3.56Å; L13-L54 HydrophobicContact CD2-CD1 3.22Å; L13-L54 HydrophobicContact CD2-CD2 4.02Å; L13-L54 HydrophobicContact CD2-CG 4.26Å
14V90.1Very high86.8Confident14 Ų1470.8 Ų70.89%0.08536%0.356CS..Hα-helixtrans-54.4-48.1172.1171.10000111.1I10 W11 G18 E53 L54I10-V14 HydrophobicContact CG2-CG2 4.46Å; I10-V14 WeakPolarHBondContact O-CG2 3.06Å; I10-V14 PolarHBondContact O-N 2.91Å; W11-V14 HydrophobicContact CE3-CB 4.23Å; W11-V14 HydrophobicContact CE3-CG1 4.19Å; W11-V14 HydrophobicContact CE3-CG2 4.48Å; W11-V14 HydrophobicContact CZ3-CG1 4.2Å; W11-V14 PolarHBondContact O-N 3.17Å; V14-G18 PolarHBondContact O-N 2.98Å; V14-E53 HydrophobicContact CG1-CG 3.97Å; V14-L54 HydrophobicContact CG2-CB 3.79Å; V14-L54 HydrophobicContact CG2-CD1 4.1Å
15R90.3Very high87.2Confident186 Ų18666.1 Ų66.170%0.70234%0.343SS*.Hα-helixtrans-63.9-43.2177.4-70.4175.1-170.8168.14.9112W11 R12 L13 G18 S19W11-R15 WeakPolarHBondContact O-CG 3.38Å; W11-R15 PolarHBondContact O-N 3.23Å; R12-R15 PolarHBondContact O-N 3.22Å; L13-R15 VanDerWaalsContact C-N 3.32Å; L13-R15 PolarHBondContact O-N 2.75Å; R15-G18 PolarHBondContact O-N 2.81Å; R15-S19 WeakPolarHBondContact O-CB 3.46Å; R15-S19 PolarHBondContact O-N 3.49Å
16L91Very high87.6Confident51 Ų5169.7 Ų69.727%0.26736%0.355SS..Hα-helixtrans-65.5-40.4-179.8-178.6137.6000112.1R12 L13 G18 S22 K27 A30R12-L16 WeakPolarHBondContact O-CB 3.47Å; R12-L16 PolarHBondContact O-N 2.78Å; L13-L16 PolarHBondContact O-N 3.36Å; L16-G18 VanDerWaalsContact C-N 3.35Å; L16-S22 PolarHBondContact O-OG 3.16Å; L16-K27 HydrophobicContact CD2-CG 4.17Å; L16-K27 WeakPolarHBondContact O-CE 3.17Å; L16-A30 HydrophobicContact CD2-CB 3.51Å
17L89.3Confident88Confident1 Ų169.4 Ų69.41%0.00535%0.353CS..Hα-helixtrans-69.9-33.8174.4-68-174.2000112.2L13 K27 L31 L54 K57 F58 L61L13-L17 HydrophobicContact CD2-CD1 3.52Å; L13-L17 HydrophobicContact CD2-CG 4.01Å; L13-L17 HydrophobicContact CG-CD1 4.46Å; L13-L17 HydrophobicContact CG-CG 4.47Å; L13-L17 WeakPolarHBondContact O-CB 3.5Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.35Å; L13-L17 PolarHBondContact O-N 3.39Å; L17-K27 HydrophobicContact CD2-CB 3.79Å; L17-K27 HydrophobicContact CD2-CD 4.41Å; L17-K27 HydrophobicContact CD2-CG 4.03Å; L17-K27 PolarHBondContact O-NZ 2.74Å; L17-L31 HydrophobicContact CD1-CD2 4.04Å; L17-L31 HydrophobicContact CD2-CD1 4.32Å; L17-L31 HydrophobicContact CD2-CG 4.16Å; L17-L54 HydrophobicContact CD1-CD1 3.7Å; L17-K57 HydrophobicContact CB-CG 3.68Å; L17-K57 HydrophobicContact CD1-CG 4.46Å; L17-K57 WeakPolarHBondContact O-CE 3.08Å; L17-F58 HydrophobicContact CD1-CD1 4.17Å; L17-F58 HydrophobicContact CD1-CE1 3.8Å; L17-L61 HydrophobicContact CB-CD1 4.09Å; L17-L61 HydrophobicContact CD1-CD1 3.97Å; L17-L61 HydrophobicContact CD2-CD1 3.96Å; L17-L61 HydrophobicContact CG-CD1 4.22Å
18G85.5Confident88.3Confident38 Ų3868 Ų6839%0.39234%0.344SS..Hα-helixtrans-71.6-31.5176.300000115.4V14 R15 L16 K57V14-G18 PolarHBondContact O-N 2.98Å; R15-G18 PolarHBondContact O-N 2.81Å; L16-G18 VanDerWaalsContact C-N 3.35Å; G18-K57 VanDerWaalsContact CA-CE 3.46Å
19S86.8Confident88.4Confident40 Ų4067.2 Ų67.228%0.2834%0.34SS..  trans-63.9135.4-176.1-179.70000112.1R15 H21 S22 K27R15-S19 WeakPolarHBondContact O-CB 3.46Å; R15-S19 PolarHBondContact O-N 3.49Å; S19-H21 VanDerWaalsContact C-N 3.3Å; S19-H21 PolarHBondContact OG-N 2.84Å; S19-H21 VanDerWaalsContact OG-N 3.12Å; S19-S22 PolarHBondContact O-OG 3.38Å; S19-K27 WeakPolarHBondContact O-CE 3.37Å; S19-K27 PolarHBondContact O-NZ 2.94Å
20A79.3Confident88.5Confident99 Ų9964.5 Ų64.582%0.81833%0.331SS*.SBendtrans-76.3-20.2169.600000112.2
21H83.1Confident88.5Confident180 Ų18064.5 Ų64.583%0.83333%0.331SS*.SBendtrans-86.1-19.2-177.3-59-60.4000113.8S19S19-H21 VanDerWaalsContact C-N 3.3Å; S19-H21 PolarHBondContact OG-N 2.84Å; S19-H21 VanDerWaalsContact OG-N 3.12Å
22S86Confident88.4Confident17 Ų1764.7 Ų64.712%0.11934%0.336CS..SBendtrans-77131.9178.447.90000110.5L16 S19 K27L16-S22 PolarHBondContact O-OG 3.16Å; S19-S22 PolarHBondContact O-OG 3.38Å; S22-K27 WeakPolarHBondContact OG-CE 2.99Å
23S89.5Confident88.3Confident45 Ų4566.9 Ų66.932%0.31534%0.344SS..  trans-66.4154.3177.8780000110.7E25 Q26 K27S23-E25 PolarHBondContact O-N 3.39Å; S23-Q26 WeakPolarHBondContact O-CB 3.31Å; S23-Q26 PolarHBondContact O-N 3.4Å; S23-Q26 VanDerWaalsContact O-N 3.16Å; S23-Q26 VanDerWaalsContact OG-CG 3.28Å; S23-Q26 WeakPolarHBondContact OG-CG 3.16Å; S23-Q26 PolarHBondContact OG-N 2.88Å; S23-K27 WeakPolarHBondContact O-CG 3.02Å; S23-K27 PolarHBondContact O-N 2.87Å
24I88.7Confident88.1Confident62 Ų6267 Ų6732%0.31834%0.344SS..Hα-helixtrans-59.8-34.4177.8-70.5153000111.1K27 A28 S74 R75 L78I24-K27 PolarHBondContact O-N 3.14Å; I24-A28 WeakPolarHBondContact O-CB 3.15Å; I24-A28 PolarHBondContact O-N 2.72Å; I24-S74 VanDerWaalsContact CG2-C 3.44Å; I24-S74 WeakPolarHBondContact CG2-O 3.23Å; I24-R75 HydrophobicContact CD1-CG 3.64Å; I24-R75 HydrophobicContact CG1-CG 4.49Å; I24-R75 HydrophobicContact CG2-CG 4.1Å; I24-L78 HydrophobicContact CG2-CB 4.15Å; I24-L78 HydrophobicContact CG2-CD2 3.93Å
25E89.4Confident87.9Confident113 Ų11367.7 Ų67.753%0.52835%0.349SS..Hα-helixtrans-63.1-48.6174.6-70.3152.9-171.200111.5S23 K27 A28 D29 S74S23-E25 PolarHBondContact O-N 3.39Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.31Å; E25-A28 PolarHBondContact O-N 3.49Å; E25-A28 VanDerWaalsContact O-N 3.08Å; E25-D29 WeakPolarHBondContact O-CB 3.44Å; E25-D29 PolarHBondContact O-N 2.73Å; E25-S74 WeakPolarHBondContact CG-OG 3.29Å; E25-S74 PolarHBondContact OE1-OG 3.44Å
26Q90.6Very high87.4Confident106 Ų10667 Ų6750%0.49535%0.354SS..Hα-helixtrans-58.4-40.1176-72.9170.4-4.300111.7S23 A30S23-Q26 WeakPolarHBondContact O-CB 3.31Å; S23-Q26 PolarHBondContact O-N 3.4Å; S23-Q26 VanDerWaalsContact O-N 3.16Å; S23-Q26 VanDerWaalsContact OG-CG 3.28Å; S23-Q26 WeakPolarHBondContact OG-CG 3.16Å; S23-Q26 PolarHBondContact OG-N 2.88Å; Q26-A30 VanDerWaalsContact O-CB 3.3Å; Q26-A30 WeakPolarHBondContact O-CB 3.39Å; Q26-A30 PolarHBondContact O-N 2.98Å
27K92.6Very high87.1Confident23 Ų2367 Ų6710%0.136%0.356CS..Hα-helixtrans-63.6-44.6174.6-66-177.7-174.9-169.10111.8L16 L17 S19 S22 S23 I24 E25 L31 L61 L78L16-K27 HydrophobicContact CD2-CG 4.17Å; L16-K27 WeakPolarHBondContact O-CE 3.17Å; L17-K27 HydrophobicContact CD2-CB 3.79Å; L17-K27 HydrophobicContact CD2-CD 4.41Å; L17-K27 HydrophobicContact CD2-CG 4.03Å; L17-K27 PolarHBondContact O-NZ 2.74Å; S19-K27 WeakPolarHBondContact O-CE 3.37Å; S19-K27 PolarHBondContact O-NZ 2.94Å; S22-K27 WeakPolarHBondContact OG-CE 2.99Å; S23-K27 WeakPolarHBondContact O-CG 3.02Å; S23-K27 PolarHBondContact O-N 2.87Å; I24-K27 PolarHBondContact O-N 3.14Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.31Å; K27-L31 WeakPolarHBondContact O-CG 3.18Å; K27-L31 PolarHBondContact O-N 3.37Å; K27-L31 VanDerWaalsContact O-N 3.11Å; K27-L61 HydrophobicContact CD-CD2 4.47Å; K27-L78 HydrophobicContact CB-CD1 3.91Å; K27-L78 HydrophobicContact CB-CD2 4.05Å; K27-L78 HydrophobicContact CD-CD2 4.31Å
28A88.9Confident86.9Confident4 Ų467 Ų673%0.03336%0.356CS..Hα-helixtrans-67.3-36.1-179.600000112.7I24 E25 Q32 T77 L78 K81I24-A28 WeakPolarHBondContact O-CB 3.15Å; I24-A28 PolarHBondContact O-N 2.72Å; E25-A28 PolarHBondContact O-N 3.49Å; E25-A28 VanDerWaalsContact O-N 3.08Å; A28-Q32 PolarHBondContact O-N 3.3Å; A28-Q32 VanDerWaalsContact O-N 3.15Å; A28-T77 HydrophobicContact CB-CG2 4.46Å; A28-L78 HydrophobicContact CB-CB 4.24Å; A28-L78 HydrophobicContact CB-CD1 4.42Å; A28-K81 WeakPolarHBondContact O-CD 3.24Å; A28-K81 PolarHBondContact O-NZ 3.42Å
29D89.4Confident86.7Confident87 Ų8770.3 Ų70.347%0.46536%0.362SS..Hα-helixtrans-73.3-41177.2-74.1-15.1000111.9E25 L31 Q32 R33E25-D29 WeakPolarHBondContact O-CB 3.44Å; E25-D29 PolarHBondContact O-N 2.73Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.37Å; D29-Q32 WeakPolarHBondContact O-CB 3.45Å; D29-Q32 PolarHBondContact O-N 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.1Å; D29-R33 PolarHBondContact O-N 3.35Å; D29-R33 VanDerWaalsContact O-N 3.1Å
30A88.7Confident86.6Confident20 Ų2071.2 Ų71.217%0.16537%0.368CS..Hα-helixtrans-60.2-43.9174.600000111.6L13 L16 Q26 Q32 R33 F34L13-A30 HydrophobicContact CD1-CB 4.46Å; L16-A30 HydrophobicContact CD2-CB 3.51Å; Q26-A30 VanDerWaalsContact O-CB 3.3Å; Q26-A30 WeakPolarHBondContact O-CB 3.39Å; Q26-A30 PolarHBondContact O-N 2.98Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 2.96Å; A30-R33 PolarHBondContact O-N 3.38Å; A30-F34 WeakPolarHBondContact O-CB 3.38Å; A30-F34 PolarHBondContact O-N 2.88Å; A30-F34 VanDerWaalsContact O-N 3.1Å
31L89.5Confident86.9Confident0 Ų066.6 Ų66.60%033%0.329CS..Hα-helixtrans-62.4-38.8174.6-76.5176.6000112.7L13 L17 K27 D29 R33 F34 T35 F58 L78 K81 V82L13-L31 HydrophobicContact CD2-CD2 4.14Å; L17-L31 HydrophobicContact CD1-CD2 4.04Å; L17-L31 HydrophobicContact CD2-CD1 4.32Å; L17-L31 HydrophobicContact CD2-CG 4.16Å; K27-L31 WeakPolarHBondContact O-CG 3.18Å; K27-L31 PolarHBondContact O-N 3.37Å; K27-L31 VanDerWaalsContact O-N 3.11Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.37Å; L31-R33 PolarHBondContact O-N 3.04Å; L31-F34 PolarHBondContact O-N 3.28Å; L31-T35 PolarHBondContact O-N 3.39Å; L31-T35 PolarHBondContact O-OG1 3.17Å; L31-F58 HydrophobicContact CD2-CE1 3.71Å; L31-F58 HydrophobicContact CD2-CZ 4.04Å; L31-L78 HydrophobicContact CD1-CD1 3.51Å; L31-K81 HydrophobicContact CD1-CB 4.4Å; L31-V82 HydrophobicContact CD1-CG2 3.67Å
32Q87.4Confident86.8Confident102 Ų10258.5 Ų58.548%0.47729%0.292SS..Hα-helixtrans-58.6-50.1177-169.163.633.700111.2A28 D29 A30 F34 T35A28-Q32 PolarHBondContact O-N 3.3Å; A28-Q32 VanDerWaalsContact O-N 3.15Å; D29-Q32 WeakPolarHBondContact O-CB 3.45Å; D29-Q32 PolarHBondContact O-N 3.26Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 2.96Å; Q32-F34 PolarHBondContact O-N 3.06Å; Q32-T35 WeakPolarHBondContact O-CB 3.33Å; Q32-T35 PolarHBondContact O-N 3.15Å; Q32-T35 VanDerWaalsContact O-N 3.16Å; Q32-T35 PolarHBondContact O-OG1 3.13Å
33R86.3Confident86.4Confident209 Ų20963.2 Ų63.279%0.78932%0.321SS*.Hα-helixtrans-63.8-30.5-179.3-66.7176.9-173.8177.82.9112.1D29 A30 L31D29-R33 WeakPolarHBondContact O-CG 3.1Å; D29-R33 PolarHBondContact O-N 3.35Å; D29-R33 VanDerWaalsContact O-N 3.1Å; A30-R33 PolarHBondContact O-N 3.38Å; L31-R33 PolarHBondContact O-N 3.04Å
34F87.9Confident86.2Confident9 Ų964.6 Ų64.64%0.03932%0.321CS..Hα-helixtrans-84.3-11.6179.6-168.9-110.3000113.9I10 L13 A30 L31 Q32 E36 P37 Y38 L41 L51 L54 M85I10-F34 HydrophobicContact CG1-CE2 4.01Å; I10-F34 HydrophobicContact CG1-CZ 3.86Å; L13-F34 HydrophobicContact CD1-CB 3.41Å; L13-F34 VanDerWaalsContact CD1-CB 3.41Å; L13-F34 HydrophobicContact CD1-CD1 3.94Å; L13-F34 HydrophobicContact CD1-CD2 4.1Å; L13-F34 HydrophobicContact CD1-CG 3.56Å; A30-F34 WeakPolarHBondContact O-CB 3.38Å; A30-F34 PolarHBondContact O-N 2.88Å; A30-F34 VanDerWaalsContact O-N 3.1Å; L31-F34 PolarHBondContact O-N 3.28Å; Q32-F34 PolarHBondContact O-N 3.06Å; F34-E36 PolarHBondContact O-N 3.27Å; F34-P37 HydrophobicContact CD2-CG 4.07Å; F34-P37 VanDerWaalsContact O-CD 3.26Å; F34-P37 WeakPolarHBondContact O-CD 3.38Å; F34-P37 WeakPolarHBondContact O-CG 3.36Å; F34-Y38 HydrophobicContact CD1-CD2 4.11Å; F34-Y38 HydrophobicContact CD1-CG 4.48Å; F34-Y38 AromaticContact CE1-CD2 3.34Å; F34-Y38 HydrophobicContact CE1-CD2 3.34Å; F34-Y38 HydrophobicContact CE1-CE2 4.05Å; F34-Y38 HydrophobicContact CE1-CG 4.07Å; F34-Y38 AromaticContact CZ-CD2 4Å; F34-Y38 HydrophobicContact CZ-CD2 4Å; F34-Y38 WeakPolarHBondContact O-CB 3.3Å; F34-Y38 PolarHBondContact O-N 3.33Å; F34-Y38 VanDerWaalsContact O-N 3.09Å; F34-L41 HydrophobicContact CE2-CD1 4.01Å; F34-L41 HydrophobicContact CZ-CD1 3.97Å; F34-L51 HydrophobicContact CZ-CD2 4.47Å; F34-L54 HydrophobicContact CD1-CD2 4.3Å; F34-L54 HydrophobicContact CE1-CD2 3.54Å; F34-L54 HydrophobicContact CZ-CD2 4.22Å; F34-M85 HydrophobicContact CD1-CE 3.75Å; F34-M85 HydrophobicContact CE1-CE 4.24Å
35T85.1Confident85.8Confident30 Ų3066.4 Ų66.418%0.18434%0.337CS..Hα-helixtrans-63.7-38.1-173.2-630000113.6L31 Q32 M85 K88L31-T35 PolarHBondContact O-N 3.39Å; L31-T35 PolarHBondContact O-OG1 3.17Å; Q32-T35 WeakPolarHBondContact O-CB 3.33Å; Q32-T35 PolarHBondContact O-N 3.15Å; Q32-T35 VanDerWaalsContact O-N 3.16Å; Q32-T35 PolarHBondContact O-OG1 3.13Å; T35-M85 HydrophobicContact CG2-SD 4.07Å; T35-K88 PolarHBondContact O-NZ 3.41Å
36E81.4Confident85.5Confident172 Ų17264.2 Ų64.280%0.80432%0.324SS*.Hα-helixtrans-70.8-54176.8-72.2-176.4172.400113.2F34 Y38F34-E36 PolarHBondContact O-N 3.27Å; E36-Y38 PolarHBondContact O-N 3.1Å
37P83.7Confident85.2Confident50 Ų5059.2 Ų59.233%0.32530%0.3SS..Hα-helixtrans-63.5-29.5-179.822.8-33.1000112F34 E39 S40 L41F34-P37 HydrophobicContact CD2-CG 4.07Å; F34-P37 VanDerWaalsContact O-CD 3.26Å; F34-P37 WeakPolarHBondContact O-CD 3.38Å; F34-P37 WeakPolarHBondContact O-CG 3.36Å; P37-E39 PolarHBondContact O-N 3.25Å; P37-S40 PolarHBondContact O-N 2.87Å; P37-S40 PolarHBondContact O-OG 3.41Å; P37-L41 HydrophobicContact CB-CD1 4.42Å; P37-L41 VanDerWaalsContact O-CG 3.27Å; P37-L41 WeakPolarHBondContact O-CG 3.3Å; P37-L41 PolarHBondContact O-N 3Å
38Y86Confident84.7Confident0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-54.2-46.1-176.6-176.1-116.8000114.9F34 E36 S40 L41 L42 L51 L54 H55 M85 K88 W89F34-Y38 HydrophobicContact CD1-CD2 4.11Å; F34-Y38 HydrophobicContact CD1-CG 4.48Å; F34-Y38 AromaticContact CE1-CD2 3.34Å; F34-Y38 HydrophobicContact CE1-CD2 3.34Å; F34-Y38 HydrophobicContact CE1-CE2 4.05Å; F34-Y38 HydrophobicContact CE1-CG 4.07Å; F34-Y38 AromaticContact CZ-CD2 4Å; F34-Y38 HydrophobicContact CZ-CD2 4Å; F34-Y38 WeakPolarHBondContact O-CB 3.3Å; F34-Y38 PolarHBondContact O-N 3.33Å; F34-Y38 VanDerWaalsContact O-N 3.09Å; E36-Y38 PolarHBondContact O-N 3.1Å; Y38-S40 VanDerWaalsContact C-N 3.27Å; Y38-S40 PolarHBondContact O-N 3.29Å; Y38-L41 WeakPolarHBondContact O-CB 3.11Å; Y38-L41 PolarHBondContact O-N 2.87Å; Y38-L42 HydrophobicContact CD1-CD1 4.02Å; Y38-L42 HydrophobicContact CD1-CG 4.45Å; Y38-L42 HydrophobicContact CE1-CD1 3.78Å; Y38-L42 HydrophobicContact CE1-CD2 4.26Å; Y38-L42 HydrophobicContact CE1-CG 4.25Å; Y38-L42 HydrophobicContact CE2-CD2 4.24Å; Y38-L42 WeakPolarHBondContact O-CG 3.44Å; Y38-L42 PolarHBondContact O-N 3.13Å; Y38-L42 VanDerWaalsContact O-N 3.12Å; Y38-L51 HydrophobicContact CD2-CD2 3.92Å; Y38-L51 HydrophobicContact CE2-CD2 3.65Å; Y38-L54 HydrophobicContact CE2-CD2 4.24Å; Y38-H55 AromaticContact CZ-NE2 3.86Å; Y38-H55 PolarHBondContact OH-CD2 3.43Å; Y38-H55 VanDerWaalsContact OH-CD2 3.22Å; Y38-H55 PolarHBondContact OH-NE2 2.73Å; Y38-M85 HydrophobicContact CD1-CE 3.33Å; Y38-M85 HydrophobicContact CD1-SD 3.73Å; Y38-M85 HydrophobicContact CD2-CE 3.7Å; Y38-M85 HydrophobicContact CE1-CB 4.26Å; Y38-M85 HydrophobicContact CE1-CE 3.76Å; Y38-M85 WeakPolarHBondContact CE1-O 3.45Å; Y38-M85 HydrophobicContact CE1-SD 4.16Å; Y38-M85 HydrophobicContact CE2-CE 4.05Å; Y38-M85 HydrophobicContact CG-CE 3.26Å; Y38-M85 HydrophobicContact CG-SD 4.2Å; Y38-K88 HydrophobicContact CD1-CB 4.34Å; Y38-K88 HydrophobicContact CD1-CD 4.14Å; Y38-K88 HydrophobicContact CE1-CB 4.15Å; Y38-W89 AromaticContact CZ-NE1 3.96Å; Y38-W89 PolarHBondContact OH-NE1 3.44Å
39E81.4Confident84.5Confident108 Ų10864.5 Ų64.551%0.50533%0.334SS..Hα-helixtrans-60.4-40.7-179.3-70.8-178.9-174.300111.6P37 L41 L42 K88P37-E39 PolarHBondContact O-N 3.25Å; E39-L41 PolarHBondContact O-N 3.48Å; E39-L42 PolarHBondContact O-N 2.93Å; E39-K88 HydrophobicContact CG-CD 3.75Å; E39-K88 HydrophobicContact CG-CG 4.43Å; E39-K88 WeakPolarHBondContact OE1-CD 3.46Å; E39-K88 WeakPolarHBondContact OE1-CE 3.17Å; E39-K88 IonicContact OE1-NZ 2.73Å; E39-K88 PolarHBondContact OE1-NZ 2.79Å
40S83.3Confident84.4Confident59 Ų5960.6 Ų60.641%0.41331%0.313SS..Hα-helixtrans-69.4-19.5177.379.40000113.6P37 Y38 T43 K44P37-S40 PolarHBondContact O-N 2.87Å; P37-S40 PolarHBondContact O-OG 3.41Å; Y38-S40 VanDerWaalsContact C-N 3.27Å; Y38-S40 PolarHBondContact O-N 3.29Å; S40-T43 PolarHBondContact O-OG1 3.46Å; S40-K44 WeakPolarHBondContact O-CE 3.24Å
41L85.2Confident84.3Confident2 Ų259.7 Ų59.71%0.0131%0.305CS..Hα-helixtrans-90.5-26.8-178.5-65.7169.3000112.5I6 I10 F34 P37 Y38 E39 T43 K44 W46 A47 L51I6-L41 HydrophobicContact CG2-CD1 3.71Å; I6-L41 HydrophobicContact CG2-CD2 3.52Å; I6-L41 HydrophobicContact CG2-CG 4.25Å; I10-L41 HydrophobicContact CD1-CD1 4.25Å; I10-L41 HydrophobicContact CG1-CD1 4.47Å; F34-L41 HydrophobicContact CE2-CD1 4.01Å; F34-L41 HydrophobicContact CZ-CD1 3.97Å; P37-L41 HydrophobicContact CB-CD1 4.42Å; P37-L41 VanDerWaalsContact O-CG 3.27Å; P37-L41 WeakPolarHBondContact O-CG 3.3Å; P37-L41 PolarHBondContact O-N 3Å; Y38-L41 WeakPolarHBondContact O-CB 3.11Å; Y38-L41 PolarHBondContact O-N 2.87Å; E39-L41 PolarHBondContact O-N 3.48Å; L41-T43 PolarHBondContact O-N 2.95Å; L41-K44 HydrophobicContact CD2-CD 4.32Å; L41-K44 PolarHBondContact O-N 3.5Å; L41-W46 HydrophobicContact CD2-CH2 3.7Å; L41-W46 HydrophobicContact CD2-CZ2 4.36Å; L41-W46 HydrophobicContact CD2-CZ3 4.31Å; L41-A47 HydrophobicContact CB-CB 4.3Å; L41-A47 HydrophobicContact CD2-CB 4.39Å; L41-L51 HydrophobicContact CB-CD1 4.23Å
42L81Confident84.1Confident11 Ų1165.5 Ų65.56%0.05833%0.327CS..Hα-helixtrans-60.6-24176.7-70169.8000112.4Y38 E39 L51 K88 F95Y38-L42 HydrophobicContact CD1-CD1 4.02Å; Y38-L42 HydrophobicContact CD1-CG 4.45Å; Y38-L42 HydrophobicContact CE1-CD1 3.78Å; Y38-L42 HydrophobicContact CE1-CD2 4.26Å; Y38-L42 HydrophobicContact CE1-CG 4.25Å; Y38-L42 HydrophobicContact CE2-CD2 4.24Å; Y38-L42 WeakPolarHBondContact O-CG 3.44Å; Y38-L42 PolarHBondContact O-N 3.13Å; Y38-L42 VanDerWaalsContact O-N 3.12Å; E39-L42 PolarHBondContact O-N 2.93Å; L42-L51 HydrophobicContact CD2-CD1 4.39Å; L42-K88 HydrophobicContact CD1-CB 4.14Å; L42-K88 WeakPolarHBondContact CD1-O 3.31Å; L42-F95 HydrophobicContact CD2-CE1 4.29Å; L42-F95 HydrophobicContact CD2-CZ 4.11Å; L42-F95 WeakPolarHBondContact O-CE2 3.45Å; L42-F95 WeakPolarHBondContact O-CZ 3.17Å
43T79.2Confident84.2Confident116 Ų11663.8 Ų63.871%0.71232%0.319SS*.THydrogen-bonded Turntrans-88-6.3176.8570000113.8S40 L41S40-T43 PolarHBondContact O-OG1 3.46Å; L41-T43 PolarHBondContact O-N 2.95Å
44K85.2Confident84.4Confident73 Ų7353.8 Ų53.832%0.31728%0.282SS..  trans-99.4118.6-171.2-62.4-168.4-173.6-179.70112.2S40 L41 W46 A47S40-K44 WeakPolarHBondContact O-CE 3.24Å; L41-K44 HydrophobicContact CD2-CD 4.32Å; L41-K44 PolarHBondContact O-N 3.5Å; K44-W46 VanDerWaalsContact C-N 3.31Å; K44-W46 HydrophobicContact CB-CD2 4.4Å; K44-W46 HydrophobicContact CB-CZ2 4.3Å; K44-W46 HydrophobicContact CD-CH2 4.22Å; K44-W46 HydrophobicContact CD-CZ2 3.35Å; K44-W46 HydrophobicContact CG-CZ2 4.45Å; K44-W46 PolarHBondContact O-N 3.14Å; K44-A47 HydrophobicContact CB-CB 4.26Å; K44-A47 PolarHBondContact O-N 3.44Å; K44-A47 VanDerWaalsContact O-N 3.08Å
45P80.7Confident84.5Confident100 Ų10053.6 Ų53.665%0.64928%0.281SS*.G310 helixtrans-58.8-37.1-176.8-25.633.7000114.6A47 L48P45-A47 VanDerWaalsContact C-N 3.25Å; P45-A47 PolarHBondContact O-N 3.32Å; P45-L48 HydrophobicContact CB-CD1 4.39Å; P45-L48 WeakPolarHBondContact O-CB 3.45Å; P45-L48 WeakPolarHBondContact O-CD1 3.38Å; P45-L48 WeakPolarHBondContact O-CG 3.29Å; P45-L48 PolarHBondContact O-N 3.24Å
46W82.7Confident84.6Confident68 Ų6859.2 Ų59.226%0.25830%0.298SS..G310 helixtrans-69.7-22.1-179.756.8-107.8000113.3E3 I6 L41 K44 L48E3-W46 HydrophobicContact CB-CD2 4.32Å; E3-W46 HydrophobicContact CB-CE3 4.4Å; E3-W46 HydrophobicContact CB-CH2 4.34Å; E3-W46 HydrophobicContact CB-CZ2 4.17Å; E3-W46 HydrophobicContact CB-CZ3 4.43Å; E3-W46 HydrophobicContact CG-CD2 4.39Å; E3-W46 HydrophobicContact CG-CH2 4.49Å; E3-W46 HydrophobicContact CG-CZ2 3.86Å; E3-W46 PolarHBondContact OE1-NE1 3.48Å; I6-W46 HydrophobicContact CB-CH2 3.92Å; I6-W46 HydrophobicContact CB-CZ3 4.2Å; I6-W46 HydrophobicContact CD1-CH2 3.9Å; I6-W46 HydrophobicContact CD1-CZ2 4.5Å; I6-W46 HydrophobicContact CG2-CH2 3.96Å; I6-W46 HydrophobicContact CG2-CZ3 4.2Å; L41-W46 HydrophobicContact CD2-CH2 3.7Å; L41-W46 HydrophobicContact CD2-CZ2 4.36Å; L41-W46 HydrophobicContact CD2-CZ3 4.31Å; K44-W46 VanDerWaalsContact C-N 3.31Å; K44-W46 HydrophobicContact CB-CD2 4.4Å; K44-W46 HydrophobicContact CB-CZ2 4.3Å; K44-W46 HydrophobicContact CD-CH2 4.22Å; K44-W46 HydrophobicContact CD-CZ2 3.35Å; K44-W46 HydrophobicContact CG-CZ2 4.45Å; K44-W46 PolarHBondContact O-N 3.14Å; W46-L48 VanDerWaalsContact C-N 3.35Å
47A84.6Confident85Confident0 Ų053.1 Ų53.10%027%0.269CS..G310 helixtrans-84.1-11177.500000112.4I10 L41 K44 P45 P50 L51I10-A47 HydrophobicContact CD1-CB 4.32Å; L41-A47 HydrophobicContact CB-CB 4.3Å; L41-A47 HydrophobicContact CD2-CB 4.39Å; K44-A47 HydrophobicContact CB-CB 4.26Å; K44-A47 PolarHBondContact O-N 3.44Å; K44-A47 VanDerWaalsContact O-N 3.08Å; P45-A47 VanDerWaalsContact C-N 3.25Å; P45-A47 PolarHBondContact O-N 3.32Å; A47-P50 WeakPolarHBondContact O-CD 3.48Å; A47-P50 VanDerWaalsContact O-CG 3.23Å; A47-P50 WeakPolarHBondContact O-CG 3.29Å; A47-L51 HydrophobicContact CB-CD1 3.77Å; A47-L51 HydrophobicContact CB-CG 4.3Å; A47-L51 VanDerWaalsContact O-CB 3.27Å; A47-L51 WeakPolarHBondContact O-CB 3.36Å; A47-L51 WeakPolarHBondContact O-CD1 3.41Å; A47-L51 WeakPolarHBondContact O-CG 3.34Å; A47-L51 PolarHBondContact O-N 3.12Å; A47-L51 VanDerWaalsContact O-N 3.08Å
48L81.8Confident85.5Confident52 Ų5250.8 Ų50.827%0.27225%0.254SS..Hα-helixtrans-60.4-47.9-173.3-58.4173.8000114.2P45 W46 L51 R52 F95P45-L48 HydrophobicContact CB-CD1 4.39Å; P45-L48 WeakPolarHBondContact O-CB 3.45Å; P45-L48 WeakPolarHBondContact O-CD1 3.38Å; P45-L48 WeakPolarHBondContact O-CG 3.29Å; P45-L48 PolarHBondContact O-N 3.24Å; W46-L48 VanDerWaalsContact C-N 3.35Å; L48-L51 PolarHBondContact O-N 3.33Å; L48-R52 PolarHBondContact O-N 3.42Å; L48-F95 HydrophobicContact CD2-CD1 4.02Å; L48-F95 HydrophobicContact CD2-CD2 3.88Å; L48-F95 HydrophobicContact CD2-CE1 3.32Å; L48-F95 HydrophobicContact CD2-CE2 3.13Å; L48-F95 HydrophobicContact CD2-CG 4.3Å; L48-F95 HydrophobicContact CD2-CZ 2.87Å; L48-F95 HydrophobicContact CG-CZ 4.36Å
49P84Confident85.7Confident87 Ų8752.4 Ų52.457%0.56526%0.261SS*.Hα-helixtrans-59.6-50.1-178.8-21.833.6000114.3L51 R52 E53P49-L51 VanDerWaalsContact C-N 3.34Å; P49-L51 PolarHBondContact O-N 3.5Å; P49-R52 PolarHBondContact O-N 2.93Å; P49-E53 PolarHBondContact O-N 3.46Å
50P86.6Confident86.1Confident5 Ų549.3 Ų49.33%0.03225%0.252CS..Hα-helixtrans-69.7-31.4177.930-37.8000112.4T7 I10 W11 A47 E53 L54T7-P50 HydrophobicContact CG2-CG 4.2Å; I10-P50 HydrophobicContact CB-CB 4.12Å; I10-P50 HydrophobicContact CD1-CB 4.44Å; I10-P50 HydrophobicContact CD1-CG 3.96Å; I10-P50 HydrophobicContact CG2-CB 3.73Å; I10-P50 HydrophobicContact CG2-CG 4.37Å; W11-P50 HydrophobicContact CD2-CB 4.44Å; W11-P50 HydrophobicContact CZ2-CB 4.26Å; A47-P50 WeakPolarHBondContact O-CD 3.48Å; A47-P50 VanDerWaalsContact O-CG 3.23Å; A47-P50 WeakPolarHBondContact O-CG 3.29Å; P50-E53 PolarHBondContact O-N 2.86Å; P50-L54 PolarHBondContact O-N 3.26Å
51L88Confident86.5Confident0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-64.6-38.2174.1-72.5172.8000112.1I10 F34 Y38 L41 L42 A47 L48 P49 E53 L54 H55I10-L51 HydrophobicContact CD1-CD2 4.23Å; I10-L51 HydrophobicContact CD1-CG 4.26Å; I10-L51 HydrophobicContact CG2-CD2 4.46Å; F34-L51 HydrophobicContact CZ-CD2 4.47Å; Y38-L51 HydrophobicContact CD2-CD2 3.92Å; Y38-L51 HydrophobicContact CE2-CD2 3.65Å; L41-L51 HydrophobicContact CB-CD1 4.23Å; L42-L51 HydrophobicContact CD2-CD1 4.39Å; A47-L51 HydrophobicContact CB-CD1 3.77Å; A47-L51 HydrophobicContact CB-CG 4.3Å; A47-L51 VanDerWaalsContact O-CB 3.27Å; A47-L51 WeakPolarHBondContact O-CB 3.36Å; A47-L51 WeakPolarHBondContact O-CD1 3.41Å; A47-L51 WeakPolarHBondContact O-CG 3.34Å; A47-L51 PolarHBondContact O-N 3.12Å; A47-L51 VanDerWaalsContact O-N 3.08Å; L48-L51 PolarHBondContact O-N 3.33Å; P49-L51 VanDerWaalsContact C-N 3.34Å; P49-L51 PolarHBondContact O-N 3.5Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 3.37Å; L51-L54 HydrophobicContact CD2-CD2 4.28Å; L51-L54 CarbonylContact O-C 3.18Å; L51-L54 WeakPolarHBondContact O-CA 3.21Å; L51-L54 WeakPolarHBondContact O-CB 3.36Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L54 VanDerWaalsContact O-N 3.15Å; L51-H55 PolarHBondContact O-CD2 3.4Å; L51-H55 PolarHBondContact O-N 3.49Å; L51-H55 PolarHBondContact O-ND1 3.21Å
52R85.2Confident86.9Confident122 Ų12247 Ų4746%0.4624%0.235SC..Hα-helixtrans-61.3-39.7176.5-178.3178.3-80.7154.3-4.9112L48 P49 H55 R56L48-R52 PolarHBondContact O-N 3.42Å; P49-R52 PolarHBondContact O-N 2.93Å; R52-H55 PolarHBondContact O-N 3.06Å; R52-R56 PolarHBondContact O-N 3.49Å; R52-R56 VanDerWaalsContact O-N 3.14Å
53E88.3Confident87.3Confident66 Ų6651.1 Ų51.131%0.30826%0.257SS..Hα-helixtrans-69.9-36.5175.7-166.856.6-151.800111.6W11 V14 P49 P50 L51 H55 R56 K57W11-E53 HydrophobicContact CH2-CB 4.11Å; W11-E53 HydrophobicContact CH2-CG 4.12Å; W11-E53 HydrophobicContact CZ3-CB 4.21Å; W11-E53 HydrophobicContact CZ3-CG 3.9Å; V14-E53 HydrophobicContact CG1-CG 3.97Å; P49-E53 PolarHBondContact O-N 3.46Å; P50-E53 PolarHBondContact O-N 2.86Å; L51-E53 VanDerWaalsContact C-N 3.3Å; L51-E53 PolarHBondContact O-N 3.37Å; E53-H55 VanDerWaalsContact C-N 3.33Å; E53-H55 PolarHBondContact O-N 2.79Å; E53-R56 PolarHBondContact O-N 2.89Å; E53-R56 WeakPolarHBondContact OE2-CD 3.18Å; E53-R56 IonicContact OE2-CZ 3.28Å; E53-R56 IonicContact OE2-NH1 3.94Å; E53-R56 PolarHBondContact OE2-NH1 3.31Å; E53-K57 PolarHBondContact O-N 3.44Å
54L90.6Very high87.7Confident0 Ų049.9 Ų49.90%025%0.249CC..Hα-helixtrans-60.4-41.8171179.859.7000112.5I10 L13 V14 L17 F34 Y38 P50 L51 K57 F58I10-L54 HydrophobicContact CG2-CB 4.43Å; I10-L54 HydrophobicContact CG2-CD2 4.32Å; L13-L54 HydrophobicContact CD2-CD1 3.22Å; L13-L54 HydrophobicContact CD2-CD2 4.02Å; L13-L54 HydrophobicContact CD2-CG 4.26Å; V14-L54 HydrophobicContact CG2-CB 3.79Å; V14-L54 HydrophobicContact CG2-CD1 4.1Å; L17-L54 HydrophobicContact CD1-CD1 3.7Å; F34-L54 HydrophobicContact CD1-CD2 4.3Å; F34-L54 HydrophobicContact CE1-CD2 3.54Å; F34-L54 HydrophobicContact CZ-CD2 4.22Å; Y38-L54 HydrophobicContact CE2-CD2 4.24Å; P50-L54 PolarHBondContact O-N 3.26Å; L51-L54 HydrophobicContact CD2-CD2 4.28Å; L51-L54 CarbonylContact O-C 3.18Å; L51-L54 WeakPolarHBondContact O-CA 3.21Å; L51-L54 WeakPolarHBondContact O-CB 3.36Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-L54 VanDerWaalsContact O-N 3.15Å; L54-K57 CarbonylContact O-C 3.59Å; L54-K57 WeakPolarHBondContact O-CA 3.34Å; L54-K57 WeakPolarHBondContact O-CB 3.32Å; L54-K57 PolarHBondContact O-N 2.93Å; L54-K57 VanDerWaalsContact O-N 3.11Å; L54-F58 HydrophobicContact CD1-CD1 4.14Å; L54-F58 HydrophobicContact CD1-CE1 3.43Å; L54-F58 VanDerWaalsContact CD1-CE1 3.43Å; L54-F58 HydrophobicContact CD1-CZ 3.84Å; L54-F58 HydrophobicContact CD2-CE1 4.34Å; L54-F58 HydrophobicContact CD2-CZ 3.86Å; L54-F58 HydrophobicContact CG-CD1 4.42Å; L54-F58 HydrophobicContact CG-CE1 3.72Å; L54-F58 HydrophobicContact CG-CE2 4.23Å; L54-F58 HydrophobicContact CG-CZ 3.61Å; L54-F58 WeakPolarHBondContact O-CD1 3.48Å; L54-F58 WeakPolarHBondContact O-CG 3.42Å; L54-F58 PolarHBondContact O-N 3.35Å
55H89.9Confident88Confident4 Ų447.1 Ų47.12%0.01924%0.239CC..Hα-helixtrans-63.4-43.1177.6-60.8157.1000112.5Y38 L51 R52 E53 K57 F58 E59 W89 H97Y38-H55 AromaticContact CZ-NE2 3.86Å; Y38-H55 PolarHBondContact OH-CD2 3.43Å; Y38-H55 VanDerWaalsContact OH-CD2 3.22Å; Y38-H55 PolarHBondContact OH-NE2 2.73Å; L51-H55 PolarHBondContact O-CD2 3.4Å; L51-H55 PolarHBondContact O-N 3.49Å; L51-H55 PolarHBondContact O-ND1 3.21Å; R52-H55 PolarHBondContact O-N 3.06Å; E53-H55 VanDerWaalsContact C-N 3.33Å; E53-H55 PolarHBondContact O-N 2.79Å; H55-K57 PolarHBondContact O-N 3.22Å; H55-F58 VanDerWaalsContact O-CB 3.3Å; H55-F58 WeakPolarHBondContact O-CB 3.15Å; H55-F58 PolarHBondContact O-N 3.5Å; H55-E59 PolarHBondContact O-N 2.74Å; H55-E59 VanDerWaalsContact O-N 3.14Å; H55-W89 HydrophobicContact CB-CH2 3.76Å; H55-W89 HydrophobicContact CB-CZ2 3.5Å; H55-W89 AromaticContact CD2-CE2 3.36Å; H55-W89 AromaticContact CD2-CZ2 3.34Å; H55-W89 WeakPolarHBondContact CD2-CZ2 3.34Å; H55-W89 AromaticContact CD2-NE1 3.25Å; H55-W89 PolarHBondContact CD2-NE1 2.9Å; H55-W89 VanDerWaalsContact CD2-NE1 3.25Å; H55-W89 AromaticContact CG-CE2 3.77Å; H55-W89 AromaticContact CG-CZ2 3.46Å; H55-W89 VanDerWaalsContact CG-CZ2 3.46Å; H55-W89 AromaticContact NE2-CD1 3.71Å; H55-W89 AromaticContact NE2-CE2 3.61Å; H55-W89 AromaticContact NE2-NE1 3.18Å; H55-W89 PolarHBondContact NE2-NE1 3.26Å; H55-W89 VanDerWaalsContact NE2-NE1 3.18Å; H55-H97 AromaticContact CE1-CE1 3.43Å; H55-H97 PolarHBondContact CE1-CE1 3.29Å; H55-H97 VanDerWaalsContact CE1-CE1 3.43Å; H55-H97 AromaticContact ND1-CE1 3.29Å; H55-H97 PolarHBondContact ND1-CE1 3.37Å; H55-H97 VanDerWaalsContact ND1-CE1 3.29Å; H55-H97 AromaticContact ND1-ND1 3.84Å
56R88.1Confident88.5Confident148 Ų14845.7 Ų45.756%0.55823%0.229SC*.Hα-helixtrans-58.8-38171.6-70.7174.2177.2170.3-6.3111.7R52 E53 F58 E59 S60R52-R56 PolarHBondContact O-N 3.49Å; R52-R56 VanDerWaalsContact O-N 3.14Å; E53-R56 PolarHBondContact O-N 2.89Å; E53-R56 WeakPolarHBondContact OE2-CD 3.18Å; E53-R56 IonicContact OE2-CZ 3.28Å; E53-R56 IonicContact OE2-NH1 3.94Å; E53-R56 PolarHBondContact OE2-NH1 3.31Å; R56-F58 VanDerWaalsContact C-N 3.32Å; R56-F58 PolarHBondContact O-N 3.04Å; R56-E59 PolarHBondContact O-N 3.04Å; R56-S60 WeakPolarHBondContact O-CB 3.47Å; R56-S60 PolarHBondContact O-N 2.88Å
57K90.4Very high88.9Confident45 Ų4544.2 Ų44.220%0.19623%0.228CC..Hα-helixtrans-66.8-33.7176.2-160.268.3-139.3171.90112.2L17 G18 E53 L54 H55 S60 L61L17-K57 HydrophobicContact CB-CG 3.68Å; L17-K57 HydrophobicContact CD1-CG 4.46Å; L17-K57 WeakPolarHBondContact O-CE 3.08Å; G18-K57 VanDerWaalsContact CA-CE 3.46Å; E53-K57 PolarHBondContact O-N 3.44Å; L54-K57 CarbonylContact O-C 3.59Å; L54-K57 WeakPolarHBondContact O-CA 3.34Å; L54-K57 WeakPolarHBondContact O-CB 3.32Å; L54-K57 PolarHBondContact O-N 2.93Å; L54-K57 VanDerWaalsContact O-N 3.11Å; H55-K57 PolarHBondContact O-N 3.22Å; K57-S60 PolarHBondContact NZ-OG 3.45Å; K57-S60 PolarHBondContact O-N 2.84Å; K57-L61 WeakPolarHBondContact O-CB 3.27Å; K57-L61 VanDerWaalsContact O-CG 3.28Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 2.74Å
58F92.7Very high89.2Confident0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-62.1-48.6172.8-68.7-7.9000112L17 L31 L54 H55 R56 S60 L61 L62 V82 M85 I86 W89L17-F58 HydrophobicContact CD1-CD1 4.17Å; L17-F58 HydrophobicContact CD1-CE1 3.8Å; L31-F58 HydrophobicContact CD2-CE1 3.71Å; L31-F58 HydrophobicContact CD2-CZ 4.04Å; L54-F58 HydrophobicContact CD1-CD1 4.14Å; L54-F58 HydrophobicContact CD1-CE1 3.43Å; L54-F58 VanDerWaalsContact CD1-CE1 3.43Å; L54-F58 HydrophobicContact CD1-CZ 3.84Å; L54-F58 HydrophobicContact CD2-CE1 4.34Å; L54-F58 HydrophobicContact CD2-CZ 3.86Å; L54-F58 HydrophobicContact CG-CD1 4.42Å; L54-F58 HydrophobicContact CG-CE1 3.72Å; L54-F58 HydrophobicContact CG-CE2 4.23Å; L54-F58 HydrophobicContact CG-CZ 3.61Å; L54-F58 WeakPolarHBondContact O-CD1 3.48Å; L54-F58 WeakPolarHBondContact O-CG 3.42Å; L54-F58 PolarHBondContact O-N 3.35Å; H55-F58 VanDerWaalsContact O-CB 3.3Å; H55-F58 WeakPolarHBondContact O-CB 3.15Å; H55-F58 PolarHBondContact O-N 3.5Å; R56-F58 VanDerWaalsContact C-N 3.32Å; R56-F58 PolarHBondContact O-N 3.04Å; F58-S60 VanDerWaalsContact C-N 3.34Å; F58-S60 PolarHBondContact O-N 3.4Å; F58-L61 PolarHBondContact O-N 3.09Å; F58-L62 PolarHBondContact O-N 3.4Å; F58-V82 HydrophobicContact CB-CG1 3.55Å; F58-V82 HydrophobicContact CD1-CG1 4.21Å; F58-V82 HydrophobicContact CD1-CG2 4.45Å; F58-V82 HydrophobicContact CG-CG1 3.88Å; F58-M85 HydrophobicContact CD2-CB 4.36Å; F58-M85 HydrophobicContact CE2-CB 3.65Å; F58-M85 HydrophobicContact CZ-CB 4.07Å; F58-M85 HydrophobicContact CZ-CE 4.34Å; F58-M85 HydrophobicContact CZ-CG 4.48Å; F58-I86 HydrophobicContact CB-CD1 4.36Å; F58-I86 HydrophobicContact CB-CG1 4.41Å; F58-I86 HydrophobicContact CD2-CG1 4.19Å; F58-W89 HydrophobicContact CD2-CZ2 4.02Å
59E90.2Very high89.7Confident34 Ų3442.3 Ų42.316%0.15922%0.219CC..Hα-helixtrans-58.7-46.5175.1-68.2177.1-129.200111.2H55 R56 L61 L62 D63 S101 V105H55-E59 PolarHBondContact O-N 2.74Å; H55-E59 VanDerWaalsContact O-N 3.14Å; R56-E59 PolarHBondContact O-N 3.04Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.35Å; E59-L62 PolarHBondContact O-N 3.2Å; E59-D63 PolarHBondContact O-N 3.49Å; E59-D63 VanDerWaalsContact O-N 3.13Å; E59-S101 WeakPolarHBondContact OE2-CB 3.36Å; E59-S101 PolarHBondContact OE2-OG 3.49Å; E59-V105 HydrophobicContact CB-CG2 4.44Å
60S90.2Very high89.9Confident43 Ų4338.2 Ų38.230%0.30119%0.192SC..Hα-helixtrans-59.6-40.1176.4173.90000112.8R56 K57 F58 D63 T64R56-S60 WeakPolarHBondContact O-CB 3.47Å; R56-S60 PolarHBondContact O-N 2.88Å; K57-S60 PolarHBondContact NZ-OG 3.45Å; K57-S60 PolarHBondContact O-N 2.84Å; F58-S60 VanDerWaalsContact C-N 3.34Å; F58-S60 PolarHBondContact O-N 3.4Å; S60-D63 PolarHBondContact O-N 3.5Å; S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 WeakPolarHBondContact O-CG2 3.31Å; S60-T64 PolarHBondContact O-N 3.06Å; S60-T64 PolarHBondContact O-OG1 3.36Å
61L92.6Very high89.7Confident4 Ų440.1 Ų40.12%0.02121%0.205CC..Hα-helixtrans-67.2-38.8177.5-76.6173.1000112.3L17 K27 K57 F58 E59 D63 V65 V82L17-L61 HydrophobicContact CB-CD1 4.09Å; L17-L61 HydrophobicContact CD1-CD1 3.97Å; L17-L61 HydrophobicContact CD2-CD1 3.96Å; L17-L61 HydrophobicContact CG-CD1 4.22Å; K27-L61 HydrophobicContact CD-CD2 4.47Å; K57-L61 WeakPolarHBondContact O-CB 3.27Å; K57-L61 VanDerWaalsContact O-CG 3.28Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 2.74Å; F58-L61 PolarHBondContact O-N 3.09Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.35Å; L61-D63 PolarHBondContact O-N 3.31Å; L61-V65 HydrophobicContact CD2-CG2 4Å; L61-V65 VanDerWaalsContact O-CB 3.29Å; L61-V65 WeakPolarHBondContact O-CB 3.49Å; L61-V65 WeakPolarHBondContact O-CG2 3.27Å; L61-V65 PolarHBondContact O-N 3.21Å; L61-V82 HydrophobicContact CD1-CG2 4.11Å
62L92.8Very high89.5Confident8 Ų844.8 Ų44.84%0.04223%0.23CC..Hα-helixtrans-68.6-22.1176.6-69.1176.1000112.8F58 E59 R79 V82 L83 I86 V105F58-L62 PolarHBondContact O-N 3.4Å; E59-L62 PolarHBondContact O-N 3.2Å; L62-R79 HydrophobicContact CD2-CB 4.17Å; L62-R79 HydrophobicContact CD2-CG 4.34Å; L62-R79 PolarHBondContact O-NH1 3.46Å; L62-R79 PolarHBondContact O-NH2 3.08Å; L62-V82 HydrophobicContact CD1-CG1 3.97Å; L62-V82 HydrophobicContact CD2-CB 4.28Å; L62-V82 HydrophobicContact CD2-CG1 4.11Å; L62-V82 HydrophobicContact CG-CB 4.48Å; L62-V82 HydrophobicContact CG-CG1 3.78Å; L62-L83 HydrophobicContact CD1-CD2 3.78Å; L62-L83 HydrophobicContact CD1-CG 4.29Å; L62-L83 HydrophobicContact CD2-CD2 4.4Å; L62-L83 HydrophobicContact CD2-CG 4.12Å; L62-I86 HydrophobicContact CD1-CD1 3.68Å; L62-V105 HydrophobicContact CB-CG1 3.73Å; L62-V105 HydrophobicContact CD1-CG1 3.75Å; L62-V105 HydrophobicContact CG-CG1 4.42Å
63D89Confident89.7Confident98 Ų9841.3 Ų41.352%0.52422%0.218SC..Hα-helixtrans-88-39.3175.4-158.641.7000113.2E59 S60 L61 K108E59-D63 PolarHBondContact O-N 3.49Å; E59-D63 VanDerWaalsContact O-N 3.13Å; S60-D63 PolarHBondContact O-N 3.5Å; L61-D63 PolarHBondContact O-N 3.31Å; D63-K108 IonicContact OD1-NZ 2.64Å; D63-K108 PolarHBondContact OD1-NZ 2.83Å
64T88.8Confident89.7Confident90 Ų9039.9 Ų39.955%0.55222%0.215SC*.Hα-helixtrans-88-36.4-173.552.80000114.3S60 P66S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 WeakPolarHBondContact O-CG2 3.31Å; S60-T64 PolarHBondContact O-N 3.06Å; S60-T64 PolarHBondContact O-OG1 3.36Å; T64-P66 WeakPolarHBondContact O-CD 3.38Å
65V91.2Very high89.8Confident16 Ų1642 Ų4210%0.09722%0.223CC..SBendtrans-82.4115.3-179.4-179.70000108.4L61 R75 L78 R79L61-V65 HydrophobicContact CD2-CG2 4Å; L61-V65 VanDerWaalsContact O-CB 3.29Å; L61-V65 WeakPolarHBondContact O-CB 3.49Å; L61-V65 WeakPolarHBondContact O-CG2 3.27Å; L61-V65 PolarHBondContact O-N 3.21Å; V65-R75 HydrophobicContact CG1-CB 4.25Å; V65-R75 HydrophobicContact CG1-CG 4.03Å; V65-L78 HydrophobicContact CG2-CD2 4.2Å; V65-R79 HydrophobicContact CG1-CG 4.31Å; V65-R79 PolarHBondContact O-NH1 2.8Å
66P90.6Very high89.9Confident69 Ų6942.2 Ų42.245%0.44822%0.224SC..  trans-62149.3-179.624.6-33.5000111.6T64T64-P66 WeakPolarHBondContact O-CD 3.38Å
67P91.8Very high90.1Very high37 Ų3737.2 Ų37.224%0.2421%0.21CC..  trans-63147.6176.628.7-34.6000110.7F69 D113P67-F69 HydrophobicContact CB-CE2 4.29Å; P67-F69 HydrophobicContact CB-CZ 4.23Å; P67-F69 HydrophobicContact CG-CE2 4.33Å; P67-F69 HydrophobicContact CG-CZ 4.36Å; P67-D113 HydrophobicContact CB-CB 4.26Å; P67-D113 WeakPolarHBondContact CB-OD1 3.4Å
68A91.2Very high90.3Very high3 Ų335.2 Ų35.23%0.02520%0.201CC..  trans-127.8146.8173.600000108.8Y73 R75 Q76 N114A68-Y73 HydrophobicContact CB-CD2 3.98Å; A68-R75 HydrophobicContact CB-CB 3.79Å; A68-Q76 HydrophobicContact CB-CB 3.93Å; A68-N114 PolarHBondContact O-ND2 3.37Å
69F90.7Very high90.5Very high10 Ų1035.6 Ų35.64%0.04420%0.202CC..  trans-115.3-2.9-168.7-62.2-87.7000113.2P67 N114 L186 V205 W206 K208P67-F69 HydrophobicContact CB-CE2 4.29Å; P67-F69 HydrophobicContact CB-CZ 4.23Å; P67-F69 HydrophobicContact CG-CE2 4.33Å; P67-F69 HydrophobicContact CG-CZ 4.36Å; F69-N114 HydrophobicContact CD1-CB 3.67Å; F69-N114 HydrophobicContact CE1-CB 4.05Å; F69-L186 HydrophobicContact CB-CD1 4.15Å; F69-L186 HydrophobicContact CB-CD2 4.17Å; F69-L186 HydrophobicContact CD1-CD1 4.23Å; F69-L186 HydrophobicContact CD1-CD2 3.62Å; F69-L186 HydrophobicContact CD2-CD1 3.45Å; F69-L186 VanDerWaalsContact CD2-CD1 3.45Å; F69-L186 HydrophobicContact CD2-CD2 4.34Å; F69-L186 HydrophobicContact CE1-CD2 4.09Å; F69-L186 HydrophobicContact CE2-CD1 3.86Å; F69-L186 HydrophobicContact CG-CD1 3.67Å; F69-L186 HydrophobicContact CG-CD2 3.77Å; F69-L186 HydrophobicContact CG-CG 4.36Å; F69-L186 HydrophobicContact CZ-CD1 4.42Å; F69-V205 HydrophobicContact CB-CG1 4.22Å; F69-V205 CarbonylContact O-C 3.58Å; F69-V205 WeakPolarHBondContact O-CA 3.23Å; F69-W206 WeakPolarHBondContact CD1-O 3.05Å; F69-W206 PolarHBondContact O-N 3.4Å; F69-K208 HydrophobicContact CD1-CG 4.46Å; F69-K208 HydrophobicContact CE1-CB 4.42Å; F69-K208 HydrophobicContact CE1-CG 3.59Å; F69-K208 HydrophobicContact CZ-CG 3.96Å
70V88.5Confident90.7Very high1 Ų138.9 Ų38.91%0.00621%0.214CC..BIsolated β-bridgetrans-99.4126.4178.5-169.60000110N72 Y73 Q76 I181 Y203 V204 V205V70-N72 WeakPolarHBondContact CG1-OD1 3.38Å; V70-N72 PolarHBondContact O-N 3.11Å; V70-Y73 HydrophobicContact CB-CD1 3.68Å; V70-Y73 HydrophobicContact CB-CD2 3.96Å; V70-Y73 HydrophobicContact CB-CE1 3.74Å; V70-Y73 HydrophobicContact CB-CE2 4.02Å; V70-Y73 HydrophobicContact CB-CG 3.79Å; V70-Y73 HydrophobicContact CG1-CD1 4.05Å; V70-Y73 HydrophobicContact CG1-CE1 3.96Å; V70-Y73 HydrophobicContact CG2-CD1 4.32Å; V70-Y73 HydrophobicContact CG2-CD2 4.08Å; V70-Y73 HydrophobicContact CG2-CE1 3.94Å; V70-Y73 HydrophobicContact CG2-CE2 3.69Å; V70-Y73 HydrophobicContact CG2-CG 4.38Å; V70-Y73 WeakPolarHBondContact O-CB 3.2Å; V70-Y73 PolarHBondContact O-N 2.83Å; V70-Q76 PolarHBondContact O-OE1 2.66Å; V70-I181 HydrophobicContact CG2-CD1 3.45Å; V70-I181 VanDerWaalsContact CG2-CD1 3.45Å; V70-Y203 HydrophobicContact CG1-CD2 3.54Å; V70-Y203 HydrophobicContact CG1-CE2 4.44Å; V70-Y203 HydrophobicContact CG1-CG 3.87Å; V70-Y203 HydrophobicContact CG2-CD2 4.14Å; V70-Y203 HydrophobicContact CG2-CE2 4.3Å; V70-V204 WeakPolarHBondContact CA-O 3.38Å; V70-V205 HydrophobicContact CG2-CG2 4.38Å
71S83.8Confident90.8Very high44 Ų4438.2 Ų38.231%0.30821%0.206SC..THydrogen-bonded Turntrans-52.1-30.1-169.661.90000115.3Q76 V204S71-Q76 PolarHBondContact O-NE2 2.79Å; S71-Q76 VanDerWaalsContact O-NE2 3.11Å; S71-V204 PolarHBondContact N-O 2.89Å; S71-V204 VanDerWaalsContact N-O 3.12Å
72N83.7Confident90.9Very high99 Ų9938.1 Ų38.153%0.52921%0.205SC..THydrogen-bonded Turntrans-96.3-2.2-177.663.8-4000114.3V70 S74V70-N72 WeakPolarHBondContact CG1-OD1 3.38Å; V70-N72 PolarHBondContact O-N 3.11Å; N72-S74 PolarHBondContact O-N 3.31Å
73Y89Confident91Very high49 Ų4937.7 Ų37.719%0.19220%0.203CC..  trans-70.7132.2-178.9-78.810.9000111.2A68 V70 R75 Q76 T77 E177A68-Y73 HydrophobicContact CB-CD2 3.98Å; V70-Y73 HydrophobicContact CB-CD1 3.68Å; V70-Y73 HydrophobicContact CB-CD2 3.96Å; V70-Y73 HydrophobicContact CB-CE1 3.74Å; V70-Y73 HydrophobicContact CB-CE2 4.02Å; V70-Y73 HydrophobicContact CB-CG 3.79Å; V70-Y73 HydrophobicContact CG1-CD1 4.05Å; V70-Y73 HydrophobicContact CG1-CE1 3.96Å; V70-Y73 HydrophobicContact CG2-CD1 4.32Å; V70-Y73 HydrophobicContact CG2-CD2 4.08Å; V70-Y73 HydrophobicContact CG2-CE1 3.94Å; V70-Y73 HydrophobicContact CG2-CE2 3.69Å; V70-Y73 HydrophobicContact CG2-CG 4.38Å; V70-Y73 WeakPolarHBondContact O-CB 3.2Å; V70-Y73 PolarHBondContact O-N 2.83Å; Y73-R75 PolarHBondContact O-N 3.37Å; Y73-Q76 PolarHBondContact O-N 3.39Å; Y73-Q76 VanDerWaalsContact O-N 3.16Å; Y73-T77 PolarHBondContact O-N 3.31Å; Y73-T77 PolarHBondContact O-OG1 2.77Å; Y73-T77 VanDerWaalsContact O-OG1 3.14Å; Y73-E177 VanDerWaalsContact OH-CD 3.26Å; Y73-E177 WeakPolarHBondContact OH-CG 3.36Å; Y73-E177 PolarHBondContact OH-OE1 3.49Å
74S89.1Confident91.2Very high36 Ų3634.6 Ų34.625%0.25219%0.189SC..Hα-helixtrans-58.6-33.4179.6-47.30000112.2I24 E25 N72 T77 L78I24-S74 VanDerWaalsContact CG2-C 3.44Å; I24-S74 WeakPolarHBondContact CG2-O 3.23Å; E25-S74 WeakPolarHBondContact CG-OG 3.29Å; E25-S74 PolarHBondContact OE1-OG 3.44Å; N72-S74 PolarHBondContact O-N 3.31Å; S74-T77 PolarHBondContact O-N 3.42Å; S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 3.22Å
75R91.8Very high91.3Very high45 Ų4530.4 Ų30.417%0.1716%0.163CC..Hα-helixtrans-61.7-49.8175.3-78.7-173.5-76.7166.1-8.7112.7I24 V65 A68 Y73 T77 L78 R79 E178I24-R75 HydrophobicContact CD1-CG 3.64Å; I24-R75 HydrophobicContact CG1-CG 4.49Å; I24-R75 HydrophobicContact CG2-CG 4.1Å; V65-R75 HydrophobicContact CG1-CB 4.25Å; V65-R75 HydrophobicContact CG1-CG 4.03Å; A68-R75 HydrophobicContact CB-CB 3.79Å; Y73-R75 PolarHBondContact O-N 3.37Å; R75-T77 VanDerWaalsContact C-N 3.34Å; R75-L78 PolarHBondContact O-N 2.89Å; R75-R79 WeakPolarHBondContact O-CG 3.4Å; R75-R79 PolarHBondContact O-N 3.37Å; R75-R79 VanDerWaalsContact O-N 3.07Å; R75-E178 IonicContact CZ-OE1 2.86Å; R75-E178 VanDerWaalsContact CZ-OE1 3.25Å; R75-E178 IonicContact CZ-OE2 2.72Å; R75-E178 IonicContact NH1-OE1 3.77Å; R75-E178 PolarHBondContact NH1-OE1 3.19Å; R75-E178 IonicContact NH1-OE2 3.68Å; R75-E178 IonicContact NH2-OE1 2.73Å; R75-E178 PolarHBondContact NH2-OE1 2.96Å; R75-E178 IonicContact NH2-OE2 3.73Å; R75-E178 PolarHBondContact NH2-OE2 3.42Å
76Q92.9Very high91.2Very high8 Ų830 Ų304%0.03716%0.161CC..Hα-helixtrans-61.3-48.4177.5178.7-152.5-70.300109.9A68 V70 S71 Y73 L78 R79 Y80 N114 W206A68-Q76 HydrophobicContact CB-CB 3.93Å; V70-Q76 PolarHBondContact O-OE1 2.66Å; S71-Q76 PolarHBondContact O-NE2 2.79Å; S71-Q76 VanDerWaalsContact O-NE2 3.11Å; Y73-Q76 PolarHBondContact O-N 3.39Å; Y73-Q76 VanDerWaalsContact O-N 3.16Å; Q76-L78 VanDerWaalsContact C-N 3.3Å; Q76-L78 PolarHBondContact O-N 2.99Å; Q76-R79 PolarHBondContact O-N 3.25Å; Q76-R79 VanDerWaalsContact O-N 3.15Å; Q76-Y80 WeakPolarHBondContact O-CB 3.25Å; Q76-Y80 PolarHBondContact O-N 3.06Å; Q76-N114 WeakPolarHBondContact CG-ND2 3.29Å; Q76-W206 HydrophobicContact CG-CZ3 4.2Å; Q76-W206 VanDerWaalsContact OE1-CZ3 3.31Å
77T91.9Very high91.1Very high43 Ų4328.9 Ų28.926%0.26416%0.157SC..Hα-helixtrans-56.4-44.5179-60.60000111.6A28 Y73 S74 R75 K81A28-T77 HydrophobicContact CB-CG2 4.46Å; Y73-T77 PolarHBondContact O-N 3.31Å; Y73-T77 PolarHBondContact O-OG1 2.77Å; Y73-T77 VanDerWaalsContact O-OG1 3.14Å; S74-T77 PolarHBondContact O-N 3.42Å; R75-T77 VanDerWaalsContact C-N 3.34Å; T77-K81 HydrophobicContact CG2-CD 4.3Å; T77-K81 WeakPolarHBondContact O-CB 3.11Å; T77-K81 VanDerWaalsContact O-CG 3.29Å; T77-K81 WeakPolarHBondContact O-CG 3.22Å; T77-K81 PolarHBondContact O-N 2.85Å
78L94.6Very high90.8Very high2 Ų230 Ų301%0.0116%0.158CC..Hα-helixtrans-59.3-50.4175.4177.258.8000111.5I24 K27 A28 L31 V65 S74 R75 Q76 Y80 K81 V82I24-L78 HydrophobicContact CG2-CB 4.15Å; I24-L78 HydrophobicContact CG2-CD2 3.93Å; K27-L78 HydrophobicContact CB-CD1 3.91Å; K27-L78 HydrophobicContact CB-CD2 4.05Å; K27-L78 HydrophobicContact CD-CD2 4.31Å; A28-L78 HydrophobicContact CB-CB 4.24Å; A28-L78 HydrophobicContact CB-CD1 4.42Å; L31-L78 HydrophobicContact CD1-CD1 3.51Å; V65-L78 HydrophobicContact CG2-CD2 4.2Å; S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 3.22Å; R75-L78 PolarHBondContact O-N 2.89Å; Q76-L78 VanDerWaalsContact C-N 3.3Å; Q76-L78 PolarHBondContact O-N 2.99Å; L78-Y80 PolarHBondContact O-N 3.38Å; L78-K81 PolarHBondContact O-N 2.79Å; L78-V82 HydrophobicContact CD1-CG2 4.33Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 3.2Å
79R95.3Very high90.5Very high8 Ų830.5 Ų30.53%0.0316%0.159CC..Hα-helixtrans-61.9-44.5-179.4-68175.266.375.27.9112.2L62 V65 R75 Q76 K81 V82 L83 D113L62-R79 HydrophobicContact CD2-CB 4.17Å; L62-R79 HydrophobicContact CD2-CG 4.34Å; L62-R79 PolarHBondContact O-NH1 3.46Å; L62-R79 PolarHBondContact O-NH2 3.08Å; V65-R79 HydrophobicContact CG1-CG 4.31Å; V65-R79 PolarHBondContact O-NH1 2.8Å; R75-R79 WeakPolarHBondContact O-CG 3.4Å; R75-R79 PolarHBondContact O-N 3.37Å; R75-R79 VanDerWaalsContact O-N 3.07Å; Q76-R79 PolarHBondContact O-N 3.25Å; Q76-R79 VanDerWaalsContact O-N 3.15Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.34Å; R79-V82 PolarHBondContact O-N 2.9Å; R79-L83 WeakPolarHBondContact O-CG 2.73Å; R79-L83 PolarHBondContact O-N 3.42Å; R79-D113 IonicContact CZ-OD2 3.23Å; R79-D113 IonicContact NE-OD1 3.8Å; R79-D113 IonicContact NE-OD2 3.9Å; R79-D113 PolarHBondContact NE-OD2 2.72Å; R79-D113 IonicContact NH2-OD2 3.89Å; R79-D113 PolarHBondContact NH2-OD2 3.14Å
80Y94.9Very high89.8Confident103 Ų10331.6 Ų31.640%0.40417%0.167SC..Hα-helixtrans-60-43.5176.7-175.4-91.2000111.9Q76 L78 L83 S84 N117 L120Q76-Y80 WeakPolarHBondContact O-CB 3.25Å; Q76-Y80 PolarHBondContact O-N 3.06Å; L78-Y80 PolarHBondContact O-N 3.38Å; Y80-L83 PolarHBondContact O-N 3.37Å; Y80-S84 WeakPolarHBondContact CE1-OG 3.45Å; Y80-S84 WeakPolarHBondContact O-CB 3.07Å; Y80-S84 PolarHBondContact O-N 3.44Å; Y80-S84 PolarHBondContact O-OG 2.85Å; Y80-N117 VanDerWaalsContact CA-OD1 3.28Å; Y80-N117 WeakPolarHBondContact CA-OD1 3.48Å; Y80-N117 WeakPolarHBondContact CB-OD1 3.39Å; Y80-N117 WeakPolarHBondContact CD2-OD1 3.18Å; Y80-L120 HydrophobicContact CE2-CD2 4.28Å
81K92.5Very high88.8Confident30 Ų3035.3 Ų35.313%0.1319%0.187CC..Hα-helixtrans-64.5-42.4176.3-73-179.7-170.4-171.20111.9A28 L31 T77 L78 R79 L83 S84 M85A28-K81 WeakPolarHBondContact O-CD 3.24Å; A28-K81 PolarHBondContact O-NZ 3.42Å; L31-K81 HydrophobicContact CD1-CB 4.4Å; T77-K81 HydrophobicContact CG2-CD 4.3Å; T77-K81 WeakPolarHBondContact O-CB 3.11Å; T77-K81 VanDerWaalsContact O-CG 3.29Å; T77-K81 WeakPolarHBondContact O-CG 3.22Å; T77-K81 PolarHBondContact O-N 2.85Å; L78-K81 PolarHBondContact O-N 2.79Å; R79-K81 VanDerWaalsContact C-N 3.34Å; R79-K81 PolarHBondContact O-N 3.34Å; K81-L83 PolarHBondContact O-N 2.86Å; K81-S84 WeakPolarHBondContact O-CB 2.94Å; K81-S84 PolarHBondContact O-N 3.24Å; K81-M85 VanDerWaalsContact O-CG 3.24Å; K81-M85 WeakPolarHBondContact O-CG 3.28Å; K81-M85 PolarHBondContact O-N 2.91Å
82V95.1Very high88Confident1 Ų135.8 Ų35.81%0.00619%0.19CC..Hα-helixtrans-59.3-47.8175.81730000110.9L31 F58 L61 L62 L78 R79 S84 M85 I86L31-V82 HydrophobicContact CD1-CG2 3.67Å; F58-V82 HydrophobicContact CB-CG1 3.55Å; F58-V82 HydrophobicContact CD1-CG1 4.21Å; F58-V82 HydrophobicContact CD1-CG2 4.45Å; F58-V82 HydrophobicContact CG-CG1 3.88Å; L61-V82 HydrophobicContact CD1-CG2 4.11Å; L62-V82 HydrophobicContact CD1-CG1 3.97Å; L62-V82 HydrophobicContact CD2-CB 4.28Å; L62-V82 HydrophobicContact CD2-CG1 4.11Å; L62-V82 HydrophobicContact CG-CB 4.48Å; L62-V82 HydrophobicContact CG-CG1 3.78Å; L78-V82 HydrophobicContact CD1-CG2 4.33Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 3.2Å; R79-V82 PolarHBondContact O-N 2.9Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.47Å; V82-M85 PolarHBondContact O-N 3.4Å; V82-I86 HydrophobicContact CG1-CD1 4.09Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3.34Å
83L95Very high87Confident0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-60.5-41.1175.3-70.2166.1000112.1L62 R79 Y80 K81 M85 I86 A87 L106 V109 N117 L120 L124L62-L83 HydrophobicContact CD1-CD2 3.78Å; L62-L83 HydrophobicContact CD1-CG 4.29Å; L62-L83 HydrophobicContact CD2-CD2 4.4Å; L62-L83 HydrophobicContact CD2-CG 4.12Å; R79-L83 WeakPolarHBondContact O-CG 2.73Å; R79-L83 PolarHBondContact O-N 3.42Å; Y80-L83 PolarHBondContact O-N 3.37Å; K81-L83 PolarHBondContact O-N 2.86Å; L83-M85 VanDerWaalsContact C-N 3.27Å; L83-M85 PolarHBondContact O-N 3.37Å; L83-I86 PolarHBondContact O-N 3.44Å; L83-A87 PolarHBondContact O-N 3.42Å; L83-L106 HydrophobicContact CD2-CD2 4Å; L83-V109 HydrophobicContact CD1-CG1 4.03Å; L83-V109 HydrophobicContact CD2-CG1 4.49Å; L83-N117 HydrophobicContact CD1-CB 3.73Å; L83-L120 HydrophobicContact CB-CD2 3.57Å; L83-L120 HydrophobicContact CB-CG 4.12Å; L83-L124 HydrophobicContact CD2-CD1 4.26Å
84S92Very high85.7Confident32 Ų3240.3 Ų40.322%0.22423%0.225CC..Hα-helixtrans-63.7-33.2177.7-60.30000112.2Y80 K81 V82 A87Y80-S84 WeakPolarHBondContact CE1-OG 3.45Å; Y80-S84 WeakPolarHBondContact O-CB 3.07Å; Y80-S84 PolarHBondContact O-N 3.44Å; Y80-S84 PolarHBondContact O-OG 2.85Å; K81-S84 WeakPolarHBondContact O-CB 2.94Å; K81-S84 PolarHBondContact O-N 3.24Å; V82-S84 VanDerWaalsContact C-N 3.32Å; V82-S84 PolarHBondContact O-N 3.47Å; S84-A87 PolarHBondContact O-N 3.27Å
85M91Very high84.4Confident2 Ų239.5 Ų39.51%0.0122%0.217CC..Hα-helixtrans-74-38.6174.7-67.1-71.5-81.800111.8F34 T35 Y38 F58 K81 V82 L83 A87 K88 W89F34-M85 HydrophobicContact CD1-CE 3.75Å; F34-M85 HydrophobicContact CE1-CE 4.24Å; T35-M85 HydrophobicContact CG2-SD 4.07Å; Y38-M85 HydrophobicContact CD1-CE 3.33Å; Y38-M85 HydrophobicContact CD1-SD 3.73Å; Y38-M85 HydrophobicContact CD2-CE 3.7Å; Y38-M85 HydrophobicContact CE1-CB 4.26Å; Y38-M85 HydrophobicContact CE1-CE 3.76Å; Y38-M85 WeakPolarHBondContact CE1-O 3.45Å; Y38-M85 HydrophobicContact CE1-SD 4.16Å; Y38-M85 HydrophobicContact CE2-CE 4.05Å; Y38-M85 HydrophobicContact CG-CE 3.26Å; Y38-M85 HydrophobicContact CG-SD 4.2Å; F58-M85 HydrophobicContact CD2-CB 4.36Å; F58-M85 HydrophobicContact CE2-CB 3.65Å; F58-M85 HydrophobicContact CZ-CB 4.07Å; F58-M85 HydrophobicContact CZ-CE 4.34Å; F58-M85 HydrophobicContact CZ-CG 4.48Å; K81-M85 VanDerWaalsContact O-CG 3.24Å; K81-M85 WeakPolarHBondContact O-CG 3.28Å; K81-M85 PolarHBondContact O-N 2.91Å; V82-M85 PolarHBondContact O-N 3.4Å; L83-M85 VanDerWaalsContact C-N 3.27Å; L83-M85 PolarHBondContact O-N 3.37Å; M85-A87 PolarHBondContact O-N 3.29Å; M85-K88 PolarHBondContact O-N 3.32Å; M85-K88 VanDerWaalsContact O-N 3.14Å; M85-K88 HydrophobicContact SD-CD 4.33Å; M85-W89 PolarHBondContact O-NE1 3.14Å
86I90.1Very high83Confident9 Ų940.6 Ų40.65%0.04624%0.236CC..Hα-helixtrans-60-37171.9-63.9167000110.5F58 L62 V82 L83 K88 W89 V102 L124F58-I86 HydrophobicContact CB-CD1 4.36Å; F58-I86 HydrophobicContact CB-CG1 4.41Å; F58-I86 HydrophobicContact CD2-CG1 4.19Å; L62-I86 HydrophobicContact CD1-CD1 3.68Å; V82-I86 HydrophobicContact CG1-CD1 4.09Å; V82-I86 WeakPolarHBondContact O-CG1 3.44Å; V82-I86 PolarHBondContact O-N 3.34Å; L83-I86 PolarHBondContact O-N 3.44Å; I86-K88 PolarHBondContact O-N 3.34Å; I86-K88 VanDerWaalsContact O-N 3.12Å; I86-W89 HydrophobicContact CB-CZ2 4.34Å; I86-W89 HydrophobicContact CG1-CH2 4.06Å; I86-W89 HydrophobicContact CG1-CZ2 3.69Å; I86-W89 HydrophobicContact CG2-CD2 4.13Å; I86-W89 HydrophobicContact CG2-CE3 4.03Å; I86-W89 HydrophobicContact CG2-CH2 4.29Å; I86-W89 HydrophobicContact CG2-CZ2 4.38Å; I86-W89 HydrophobicContact CG2-CZ3 4.12Å; I86-W89 WeakPolarHBondContact O-CB 3.4Å; I86-W89 VanDerWaalsContact O-CG 3.28Å; I86-W89 PolarHBondContact O-N 3.45Å; I86-W89 VanDerWaalsContact O-N 3.08Å; I86-V102 HydrophobicContact CG2-CG1 4.34Å; I86-L124 HydrophobicContact CB-CD1 4.39Å; I86-L124 HydrophobicContact CG2-CD1 4.21Å; I86-L124 HydrophobicContact CG2-CD2 4.46Å
87A88Confident82Confident45 Ų4541.4 Ų41.437%0.37224%0.239SC..THydrogen-bonded Turntrans-63.5-15.9177.300000115.4L83 S84 M85 L120 L124L83-A87 PolarHBondContact O-N 3.42Å; S84-A87 PolarHBondContact O-N 3.27Å; M85-A87 PolarHBondContact O-N 3.29Å; A87-L120 HydrophobicContact CB-CD1 4.38Å; A87-L124 HydrophobicContact CB-CD1 4.41Å; A87-L124 HydrophobicContact CB-CD2 3.46Å; A87-L124 VanDerWaalsContact CB-CD2 3.46Å; A87-L124 HydrophobicContact CB-CG 4.22Å
88K86.7Confident81.4Confident60 Ų6044.2 Ų44.226%0.26125%0.253SS..THydrogen-bonded Turntrans-90.5-7.2177.3-62.3173.9178.4-146.90113T35 Y38 E39 L42 M85 I86T35-K88 PolarHBondContact O-NZ 3.41Å; Y38-K88 HydrophobicContact CD1-CB 4.34Å; Y38-K88 HydrophobicContact CD1-CD 4.14Å; Y38-K88 HydrophobicContact CE1-CB 4.15Å; E39-K88 HydrophobicContact CG-CD 3.75Å; E39-K88 HydrophobicContact CG-CG 4.43Å; E39-K88 WeakPolarHBondContact OE1-CD 3.46Å; E39-K88 WeakPolarHBondContact OE1-CE 3.17Å; E39-K88 IonicContact OE1-NZ 2.73Å; E39-K88 PolarHBondContact OE1-NZ 2.79Å; L42-K88 HydrophobicContact CD1-CB 4.14Å; L42-K88 WeakPolarHBondContact CD1-O 3.31Å; M85-K88 PolarHBondContact O-N 3.32Å; M85-K88 VanDerWaalsContact O-N 3.14Å; M85-K88 HydrophobicContact SD-CD 4.33Å; I86-K88 PolarHBondContact O-N 3.34Å; I86-K88 VanDerWaalsContact O-N 3.12Å
89W84Confident80.9Confident13 Ų1346.5 Ų46.55%0.04926%0.261CS..SBendtrans-60.9133.5-176.1-67.6-0.6000111.6Y38 H55 F58 M85 I86 L91 V102Y38-W89 AromaticContact CZ-NE1 3.96Å; Y38-W89 PolarHBondContact OH-NE1 3.44Å; H55-W89 HydrophobicContact CB-CH2 3.76Å; H55-W89 HydrophobicContact CB-CZ2 3.5Å; H55-W89 AromaticContact CD2-CE2 3.36Å; H55-W89 AromaticContact CD2-CZ2 3.34Å; H55-W89 WeakPolarHBondContact CD2-CZ2 3.34Å; H55-W89 AromaticContact CD2-NE1 3.25Å; H55-W89 PolarHBondContact CD2-NE1 2.9Å; H55-W89 VanDerWaalsContact CD2-NE1 3.25Å; H55-W89 AromaticContact CG-CE2 3.77Å; H55-W89 AromaticContact CG-CZ2 3.46Å; H55-W89 VanDerWaalsContact CG-CZ2 3.46Å; H55-W89 AromaticContact NE2-CD1 3.71Å; H55-W89 AromaticContact NE2-CE2 3.61Å; H55-W89 AromaticContact NE2-NE1 3.18Å; H55-W89 PolarHBondContact NE2-NE1 3.26Å; H55-W89 VanDerWaalsContact NE2-NE1 3.18Å; F58-W89 HydrophobicContact CD2-CZ2 4.02Å; M85-W89 PolarHBondContact O-NE1 3.14Å; I86-W89 HydrophobicContact CB-CZ2 4.34Å; I86-W89 HydrophobicContact CG1-CH2 4.06Å; I86-W89 HydrophobicContact CG1-CZ2 3.69Å; I86-W89 HydrophobicContact CG2-CD2 4.13Å; I86-W89 HydrophobicContact CG2-CE3 4.03Å; I86-W89 HydrophobicContact CG2-CH2 4.29Å; I86-W89 HydrophobicContact CG2-CZ2 4.38Å; I86-W89 HydrophobicContact CG2-CZ3 4.12Å; I86-W89 WeakPolarHBondContact O-CB 3.4Å; I86-W89 VanDerWaalsContact O-CG 3.28Å; I86-W89 PolarHBondContact O-N 3.45Å; I86-W89 VanDerWaalsContact O-N 3.08Å; W89-L91 PolarHBondContact O-N 3.34Å; W89-V102 HydrophobicContact CH2-CG2 4.28Å; W89-V102 HydrophobicContact CZ3-CG1 4.45Å; W89-V102 HydrophobicContact CZ3-CG2 3.63Å
90P76.2Confident80.4Confident33 Ų3347.3 Ų47.321%0.21427%0.27CS..  trans-66.5137.3-179.428.6-33.7000110.1S92 F95P90-S92 PolarHBondContact O-N 3.45Å; P90-F95 HydrophobicContact CG-CB 4.36Å; P90-F95 HydrophobicContact CG-CD1 4.46Å; P90-F95 HydrophobicContact CG-CD2 3.42Å; P90-F95 VanDerWaalsContact CG-CD2 3.42Å; P90-F95 HydrophobicContact CG-CE2 3.56Å; P90-F95 HydrophobicContact CG-CG 3.86Å; P90-F95 HydrophobicContact CG-CZ 4.09Å
91L67.9Low80Confident80 Ų8044.4 Ų44.442%0.41926%0.264SS..  trans-78.99.7178.2-66.9163.6000113.3W89 N127 K131W89-L91 PolarHBondContact O-N 3.34Å; L91-N127 HydrophobicContact CD2-CB 4.36Å; L91-K131 HydrophobicContact CD2-CG 4.47Å
92S66.7Low79.8Confident54 Ų5443 Ų4338%0.37826%0.259SS..SBendtrans-84.8139.4-175.954.70000111.9P90 S94 F95P90-S92 PolarHBondContact O-N 3.45Å; S92-S94 WeakPolarHBondContact CB-OG 3.33Å; S92-S94 PolarHBondContact O-N 2.89Å; S92-S94 PolarHBondContact OG-OG 2.98Å; S92-F95 PolarHBondContact O-N 2.74Å
93D61.5Low79.7Confident151 Ų15143 Ų4381%0.80726%0.258SS*.THydrogen-bonded Turntrans-57.8-19.3179.1-60.5-32.4000113.7F95D93-F95 PolarHBondContact O-N 3.38Å
94S62.1Low79.5Confident91 Ų9149.7 Ų49.764%0.63629%0.288SS*.THydrogen-bonded Turntrans-58.8-28.7174.652.80000113.2S92S92-S94 WeakPolarHBondContact CB-OG 3.33Å; S92-S94 PolarHBondContact O-N 2.89Å; S92-S94 PolarHBondContact OG-OG 2.98Å
95F62.6Low79.6Confident20 Ų2049.3 Ų49.39%0.08828%0.284CS..SBendtrans-95.795.4169.2-89.7-101.6000109.6L42 L48 P90 S92 D93 H97L42-F95 HydrophobicContact CD2-CE1 4.29Å; L42-F95 HydrophobicContact CD2-CZ 4.11Å; L42-F95 WeakPolarHBondContact O-CE2 3.45Å; L42-F95 WeakPolarHBondContact O-CZ 3.17Å; L48-F95 HydrophobicContact CD2-CD1 4.02Å; L48-F95 HydrophobicContact CD2-CD2 3.88Å; L48-F95 HydrophobicContact CD2-CE1 3.32Å; L48-F95 HydrophobicContact CD2-CE2 3.13Å; L48-F95 HydrophobicContact CD2-CG 4.3Å; L48-F95 HydrophobicContact CD2-CZ 2.87Å; L48-F95 HydrophobicContact CG-CZ 4.36Å; P90-F95 HydrophobicContact CG-CB 4.36Å; P90-F95 HydrophobicContact CG-CD1 4.46Å; P90-F95 HydrophobicContact CG-CD2 3.42Å; P90-F95 VanDerWaalsContact CG-CD2 3.42Å; P90-F95 HydrophobicContact CG-CE2 3.56Å; P90-F95 HydrophobicContact CG-CG 3.86Å; P90-F95 HydrophobicContact CG-CZ 4.09Å; S92-F95 PolarHBondContact O-N 2.74Å; D93-F95 PolarHBondContact O-N 3.38Å; F95-H97 WeakPolarHBondContact CB-NE2 3.16Å; F95-H97 AromaticContact CD1-CE1 3.44Å; F95-H97 VanDerWaalsContact CD1-CE1 3.44Å; F95-H97 WeakPolarHBondContact CD1-CE1 3.29Å; F95-H97 AromaticContact CD1-NE2 3.38Å; F95-H97 WeakPolarHBondContact CD1-NE2 3.48Å; F95-H97 AromaticContact CG-NE2 3.7Å; F95-H97 PolarHBondContact O-N 3.18Å
96A61.2Low79.7Confident68 Ų6849.4 Ų49.456%0.56228%0.284SS*.  trans-66.189.2167.100000109.5
97H71.9Confident80Confident24 Ų2449.1 Ų49.111%0.11128%0.283CS..  trans-93139.5166-65.3-53.8000109.1H55 F95 W99H55-H97 AromaticContact CE1-CE1 3.43Å; H55-H97 PolarHBondContact CE1-CE1 3.29Å; H55-H97 VanDerWaalsContact CE1-CE1 3.43Å; H55-H97 AromaticContact ND1-CE1 3.29Å; H55-H97 PolarHBondContact ND1-CE1 3.37Å; H55-H97 VanDerWaalsContact ND1-CE1 3.29Å; H55-H97 AromaticContact ND1-ND1 3.84Å; F95-H97 WeakPolarHBondContact CB-NE2 3.16Å; F95-H97 AromaticContact CD1-CE1 3.44Å; F95-H97 VanDerWaalsContact CD1-CE1 3.44Å; F95-H97 WeakPolarHBondContact CD1-CE1 3.29Å; F95-H97 AromaticContact CD1-NE2 3.38Å; F95-H97 WeakPolarHBondContact CD1-NE2 3.48Å; F95-H97 AromaticContact CG-NE2 3.7Å; F95-H97 PolarHBondContact O-N 3.18Å; H97-W99 HydrophobicContact CB-CD2 4.28Å; H97-W99 HydrophobicContact CB-CZ2 4.26Å; H97-W99 AromaticContact CD2-CZ2 3.9Å; H97-W99 PolarHBondContact O-N 2.93Å
98D80.2Confident80.3Confident103 Ų10351.7 Ų51.755%0.55129%0.286SS*.  trans-77.382.2168.2-174.1-7000109.1A100 S101 V102D98-A100 PolarHBondContact O-N 3.18Å; D98-A100 VanDerWaalsContact O-N 3.13Å; D98-A100 WeakPolarHBondContact OD1-CB 3.37Å; D98-A100 PolarHBondContact OD1-N 3Å; D98-A100 VanDerWaalsContact OD1-N 3.1Å; D98-S101 PolarHBondContact O-N 2.94Å; D98-S101 VanDerWaalsContact O-N 3.09Å; D98-S101 PolarHBondContact OD1-N 3.14Å; D98-S101 VanDerWaalsContact OD1-N 3.14Å; D98-V102 WeakPolarHBondContact O-CG2 3.25Å; D98-V102 PolarHBondContact O-N 2.94Å; D98-V102 VanDerWaalsContact O-N 3.09Å
99W83.5Confident80.8Confident49 Ų4948.9 Ų48.919%0.18627%0.274CS..Hα-helixtrans-58.2-23.7178.2-67111.6000112.7H97 A103 A132H97-W99 HydrophobicContact CB-CD2 4.28Å; H97-W99 HydrophobicContact CB-CZ2 4.26Å; H97-W99 AromaticContact CD2-CZ2 3.9Å; H97-W99 PolarHBondContact O-N 2.93Å; W99-A103 WeakPolarHBondContact O-CB 3.39Å; W99-A103 PolarHBondContact O-N 2.7Å; W99-A132 HydrophobicContact CB-CB 3.62Å; W99-A132 HydrophobicContact CG-CB 4.01Å
100A85.1Confident81.4Confident26 Ų2648.3 Ų48.322%0.21527%0.272CS..Hα-helixtrans-71.5-42.3175.800000111.7D98 K104D98-A100 PolarHBondContact O-N 3.18Å; D98-A100 VanDerWaalsContact O-N 3.13Å; D98-A100 WeakPolarHBondContact OD1-CB 3.37Å; D98-A100 PolarHBondContact OD1-N 3Å; D98-A100 VanDerWaalsContact OD1-N 3.1Å; A100-K104 WeakPolarHBondContact O-CB 3.27Å; A100-K104 PolarHBondContact O-N 3.35Å
101S87.4Confident82.3Confident41 Ų4149.8 Ų49.829%0.28728%0.275SS..Hα-helixtrans-61.6-48.2172.5-169.90000111.2E59 D98 A103 K104 V105E59-S101 WeakPolarHBondContact OE2-CB 3.36Å; E59-S101 PolarHBondContact OE2-OG 3.49Å; D98-S101 PolarHBondContact O-N 2.94Å; D98-S101 VanDerWaalsContact O-N 3.09Å; D98-S101 PolarHBondContact OD1-N 3.14Å; D98-S101 VanDerWaalsContact OD1-N 3.14Å; S101-A103 PolarHBondContact O-N 2.88Å; S101-K104 WeakPolarHBondContact O-CB 3.5Å; S101-K104 PolarHBondContact O-N 2.7Å; S101-V105 PolarHBondContact O-N 3.38Å; S101-V105 VanDerWaalsContact O-N 3.08Å
102V88.8Confident83.4Confident2 Ų248.9 Ų48.91%0.01227%0.273CS..Hα-helixtrans-60.2-49178.9179.30000110.8I86 W89 D98 K104 V105 L106I86-V102 HydrophobicContact CG2-CG1 4.34Å; W89-V102 HydrophobicContact CH2-CG2 4.28Å; W89-V102 HydrophobicContact CZ3-CG1 4.45Å; W89-V102 HydrophobicContact CZ3-CG2 3.63Å; D98-V102 WeakPolarHBondContact O-CG2 3.25Å; D98-V102 PolarHBondContact O-N 2.94Å; D98-V102 VanDerWaalsContact O-N 3.09Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 3.09Å; V102-V105 WeakPolarHBondContact O-CB 3.25Å; V102-V105 PolarHBondContact O-N 3.4Å; V102-V105 VanDerWaalsContact O-N 3.09Å; V102-L106 HydrophobicContact CG1-CD1 3.92Å; V102-L106 HydrophobicContact CG1-CG 4.21Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.25Å; V102-L106 PolarHBondContact O-N 3.43Å
103A91.2Very high84.8Confident0 Ų046.3 Ų46.30%026%0.255CS..Hα-helixtrans-57.2-40.4177.900000112.2W99 S101 L106 V107 F125 I136 Q139W99-A103 WeakPolarHBondContact O-CB 3.39Å; W99-A103 PolarHBondContact O-N 2.7Å; S101-A103 PolarHBondContact O-N 2.88Å; A103-L106 PolarHBondContact O-N 3.45Å; A103-V107 WeakPolarHBondContact O-CG2 3.29Å; A103-V107 PolarHBondContact O-N 2.91Å; A103-F125 HydrophobicContact CB-CD2 4.22Å; A103-F125 HydrophobicContact CB-CE2 3.76Å; A103-I136 HydrophobicContact CB-CB 4.07Å; A103-I136 HydrophobicContact CB-CG2 3.52Å; A103-Q139 HydrophobicContact CB-CB 4.42Å; A103-Q139 HydrophobicContact CB-CG 4.12Å
104K92.3Very high86.4Confident141 Ų14139.1 Ų39.161%0.61322%0.216SC*.Hα-helixtrans-61.5-44.7175.7-171.9-178.2-180-178.30111.5A100 S101 V102 K108 Q139A100-K104 WeakPolarHBondContact O-CB 3.27Å; A100-K104 PolarHBondContact O-N 3.35Å; S101-K104 WeakPolarHBondContact O-CB 3.5Å; S101-K104 PolarHBondContact O-N 2.7Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 3.09Å; K104-K108 WeakPolarHBondContact O-CB 3.24Å; K104-K108 PolarHBondContact O-N 3.13Å; K104-K108 VanDerWaalsContact O-N 3.08Å; K104-Q139 HydrophobicContact CB-CG 4.45Å
105V92.6Very high87.9Confident24 Ų2434.8 Ų34.815%0.14519%0.186CC..Hα-helixtrans-63.2-44.5176.1176.10000110.7E59 L62 S101 V102 V107 K108 V109E59-V105 HydrophobicContact CB-CG2 4.44Å; L62-V105 HydrophobicContact CB-CG1 3.73Å; L62-V105 HydrophobicContact CD1-CG1 3.75Å; L62-V105 HydrophobicContact CG-CG1 4.42Å; S101-V105 PolarHBondContact O-N 3.38Å; S101-V105 VanDerWaalsContact O-N 3.08Å; V102-V105 WeakPolarHBondContact O-CB 3.25Å; V102-V105 PolarHBondContact O-N 3.4Å; V102-V105 VanDerWaalsContact O-N 3.09Å; V105-V107 PolarHBondContact O-N 3.49Å; V105-K108 WeakPolarHBondContact O-CB 3.39Å; V105-K108 PolarHBondContact O-N 3.02Å; V105-V109 HydrophobicContact CG1-CG2 4.23Å; V105-V109 VanDerWaalsContact O-CG2 3.28Å; V105-V109 WeakPolarHBondContact O-CG2 3.41Å; V105-V109 PolarHBondContact O-N 3.38Å
106L94.8Very high89.4Confident3 Ų336 Ų362%0.01619%0.192CC..Hα-helixtrans-63-42.8-179.7-65.4174.8000112.6L83 V102 A103 K108 V109 Y110 A121 L124 F125L83-L106 HydrophobicContact CD2-CD2 4Å; V102-L106 HydrophobicContact CG1-CD1 3.92Å; V102-L106 HydrophobicContact CG1-CG 4.21Å; V102-L106 VanDerWaalsContact O-CG 3.29Å; V102-L106 WeakPolarHBondContact O-CG 3.25Å; V102-L106 PolarHBondContact O-N 3.43Å; A103-L106 PolarHBondContact O-N 3.45Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.9Å; L106-V109 PolarHBondContact O-N 3.39Å; L106-Y110 PolarHBondContact O-N 3.25Å; L106-A121 HydrophobicContact CB-CB 4.46Å; L106-A121 HydrophobicContact CD2-CB 4.04Å; L106-L124 HydrophobicContact CD1-CB 3.68Å; L106-L124 HydrophobicContact CD2-CB 3.92Å; L106-L124 HydrophobicContact CD2-CD1 3.83Å; L106-L124 HydrophobicContact CG-CB 4.46Å; L106-F125 HydrophobicContact CB-CD2 4.23Å; L106-F125 HydrophobicContact CD1-CB 4.32Å
107V95.4Very high91.1Very high3 Ų332.8 Ų32.82%0.01817%0.165CC..Hα-helixtrans-63.1-40.7174.3173.40000111A103 V105 Y110 K111 F125 Q139 E142 L143A103-V107 WeakPolarHBondContact O-CG2 3.29Å; A103-V107 PolarHBondContact O-N 2.91Å; V105-V107 PolarHBondContact O-N 3.49Å; V107-Y110 PolarHBondContact O-N 2.93Å; V107-K111 HydrophobicContact CG1-CD 4Å; V107-K111 VanDerWaalsContact O-CG 3.32Å; V107-K111 WeakPolarHBondContact O-CG 3.34Å; V107-K111 PolarHBondContact O-N 2.95Å; V107-F125 HydrophobicContact CG2-CD2 3.91Å; V107-F125 HydrophobicContact CG2-CE2 3.48Å; V107-F125 VanDerWaalsContact CG2-CE2 3.48Å; V107-F125 HydrophobicContact CG2-CZ 4.16Å; V107-Q139 HydrophobicContact CG2-CB 3.96Å; V107-Q139 HydrophobicContact CG2-CG 4.39Å; V107-E142 HydrophobicContact CG1-CB 4.41Å; V107-L143 HydrophobicContact CG1-CD2 4.14Å; V107-L143 HydrophobicContact CG1-CG 4.42Å; V107-L143 HydrophobicContact CG2-CD1 4.01Å; V107-L143 HydrophobicContact CG2-CD2 4.04Å; V107-L143 HydrophobicContact CG2-CG 3.77Å
108K95.3Very high92.3Very high99 Ų9931.7 Ų31.743%0.4316%0.16SC..Hα-helixtrans-61.8-47.1174.8-175.1178.1177.7179.20111.3D63 K104 V105 L106 Y110 K111 T112D63-K108 IonicContact OD1-NZ 2.64Å; D63-K108 PolarHBondContact OD1-NZ 2.83Å; K104-K108 WeakPolarHBondContact O-CB 3.24Å; K104-K108 PolarHBondContact O-N 3.13Å; K104-K108 VanDerWaalsContact O-N 3.08Å; V105-K108 WeakPolarHBondContact O-CB 3.39Å; V105-K108 PolarHBondContact O-N 3.02Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.9Å; K108-Y110 PolarHBondContact O-N 3.44Å; K108-K111 PolarHBondContact O-N 3.49Å; K108-K111 VanDerWaalsContact O-N 3.13Å; K108-T112 PolarHBondContact O-N 3.3Å; K108-T112 PolarHBondContact O-OG1 3.31Å
109V96.4Very high93.1Very high2 Ų227.8 Ų27.81%0.01214%0.139CC..Hα-helixtrans-56.7-48.6177.3170.70000110.6L83 V105 L106 K111 T112 D113 N117 A121L83-V109 HydrophobicContact CD1-CG1 4.03Å; L83-V109 HydrophobicContact CD2-CG1 4.49Å; V105-V109 HydrophobicContact CG1-CG2 4.23Å; V105-V109 VanDerWaalsContact O-CG2 3.28Å; V105-V109 WeakPolarHBondContact O-CG2 3.41Å; V105-V109 PolarHBondContact O-N 3.38Å; L106-V109 PolarHBondContact O-N 3.39Å; V109-K111 VanDerWaalsContact C-N 3.31Å; V109-K111 PolarHBondContact O-N 2.63Å; V109-T112 PolarHBondContact O-N 3.12Å; V109-D113 HydrophobicContact CG1-CB 3.92Å; V109-D113 WeakPolarHBondContact O-CB 3.47Å; V109-D113 PolarHBondContact O-N 2.79Å; V109-N117 HydrophobicContact CG1-CB 4.25Å; V109-A121 HydrophobicContact CB-CB 4.07Å; V109-A121 HydrophobicContact CG1-CB 3.73Å
110Y96.8Very high93.7Very high1 Ų126.8 Ų26.80%0.00414%0.137CC..Hα-helixtrans-58.9-41.6176.6174.6-109.3000112.8L106 V107 K108 L122 L143 V146 I150 S209 L219L106-Y110 PolarHBondContact O-N 3.25Å; V107-Y110 PolarHBondContact O-N 2.93Å; K108-Y110 PolarHBondContact O-N 3.44Å; Y110-L122 HydrophobicContact CD1-CD2 4.32Å; Y110-L122 HydrophobicContact CD2-CD1 3.5Å; Y110-L122 VanDerWaalsContact CD2-CD1 3.5Å; Y110-L122 HydrophobicContact CD2-CD2 4.01Å; Y110-L122 HydrophobicContact CD2-CG 3.63Å; Y110-L122 HydrophobicContact CE2-CD1 3.41Å; Y110-L122 VanDerWaalsContact CE2-CD1 3.41Å; Y110-L122 HydrophobicContact CE2-CD2 4.42Å; Y110-L122 HydrophobicContact CE2-CG 4.07Å; Y110-L122 HydrophobicContact CG-CD1 4.3Å; Y110-L122 HydrophobicContact CG-CD2 3.97Å; Y110-L122 HydrophobicContact CG-CG 4.05Å; Y110-L143 HydrophobicContact CD1-CD2 3.97Å; Y110-L143 HydrophobicContact CE1-CD2 4.48Å; Y110-V146 HydrophobicContact CE1-CG1 3.82Å; Y110-I150 WeakPolarHBondContact OH-CD1 3.31Å; Y110-S209 WeakPolarHBondContact CD2-OG 3.43Å; Y110-S209 WeakPolarHBondContact CE2-OG 3.45Å; Y110-S209 WeakPolarHBondContact O-CB 3.34Å; Y110-L219 HydrophobicContact CE1-CD1 4.22Å; Y110-L219 HydrophobicContact CE1-CD2 4.05Å; Y110-L219 WeakPolarHBondContact OH-CD2 3.31Å
111K94.3Very high94.2Very high64 Ų6425.6 Ų25.628%0.27813%0.127SC..Hα-helixtrans-68.6-36-179-73.6172.7176.1178.40113.2V107 K108 V109 E142 V146 R210V107-K111 HydrophobicContact CG1-CD 4Å; V107-K111 VanDerWaalsContact O-CG 3.32Å; V107-K111 WeakPolarHBondContact O-CG 3.34Å; V107-K111 PolarHBondContact O-N 2.95Å; K108-K111 PolarHBondContact O-N 3.49Å; K108-K111 VanDerWaalsContact O-N 3.13Å; V109-K111 VanDerWaalsContact C-N 3.31Å; V109-K111 PolarHBondContact O-N 2.63Å; K111-E142 IonicContact NZ-OE2 2.71Å; K111-E142 PolarHBondContact NZ-OE2 2.87Å; K111-V146 VanDerWaalsContact CE-CG2 3.5Å; K111-V146 HydrophobicContact CG-CG2 4.41Å; K111-R210 WeakPolarHBondContact O-CD 3.43Å
112T92.2Very high94.7Very high61 Ų6123.8 Ų23.837%0.37411%0.114SC..Hα-helixtrans-113.7-23.3-167.761.10000115.8K108 V109K108-T112 PolarHBondContact O-N 3.3Å; K108-T112 PolarHBondContact O-OG1 3.31Å; V109-T112 PolarHBondContact O-N 3.12Å
113D95.1Very high94.9Very high0 Ų028.8 Ų28.80%014%0.136CC..SBendtrans-91.9176.5-169.2-146.3-30.6000112.9P67 R79 V109 N117 K208 S209P67-D113 HydrophobicContact CB-CB 4.26Å; P67-D113 WeakPolarHBondContact CB-OD1 3.4Å; R79-D113 IonicContact CZ-OD2 3.23Å; R79-D113 IonicContact NE-OD1 3.8Å; R79-D113 IonicContact NE-OD2 3.9Å; R79-D113 PolarHBondContact NE-OD2 2.72Å; R79-D113 IonicContact NH2-OD2 3.89Å; R79-D113 PolarHBondContact NH2-OD2 3.14Å; V109-D113 HydrophobicContact CG1-CB 3.92Å; V109-D113 WeakPolarHBondContact O-CB 3.47Å; V109-D113 PolarHBondContact O-N 2.79Å; D113-N117 HydrophobicContact CB-CB 4.15Å; D113-N117 PolarHBondContact OD1-ND2 2.83Å; D113-N117 VanDerWaalsContact OD1-ND2 3.07Å; D113-N117 PolarHBondContact OD2-ND2 3.02Å; D113-K208 WeakPolarHBondContact O-CA 3.38Å; D113-S209 PolarHBondContact O-N 3.2Å
114N94.4Very high95Very high0 Ų029.3 Ų29.30%014%0.139CC..BIsolated β-bridgetrans-65.2163.3173.667.266000111.9A68 F69 Q76 E116 N117 G118 W206 P207A68-N114 PolarHBondContact O-ND2 3.37Å; F69-N114 HydrophobicContact CD1-CB 3.67Å; F69-N114 HydrophobicContact CE1-CB 4.05Å; Q76-N114 WeakPolarHBondContact CG-ND2 3.29Å; N114-E116 PolarHBondContact O-N 3.41Å; N114-E116 PolarHBondContact OD1-N 3.49Å; N114-E116 VanDerWaalsContact OD1-N 3.15Å; N114-N117 PolarHBondContact ND2-ND2 3.07Å; N114-N117 PolarHBondContact O-N 2.79Å; N114-N117 PolarHBondContact OD1-N 2.94Å; N114-G118 PolarHBondContact O-N 3.15Å; N114-W206 HydrophobicContact CB-CB 4.23Å; N114-W206 HydrophobicContact CB-CE3 4.4Å; N114-P207 CarbonylContact C-O 3.58Å; N114-P207 WeakPolarHBondContact CA-O 3.1Å
115V94.7Very high95Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-57.1-45.4-176.967.60000113.4N117 G118 L119 W206 P207 A212 R214V115-N117 PolarHBondContact O-N 3.07Å; V115-G118 PolarHBondContact O-N 3.16Å; V115-L119 HydrophobicContact CG2-CD1 4.25Å; V115-L119 HydrophobicContact CG2-CG 4.2Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 3.07Å; V115-W206 HydrophobicContact CG1-CB 4.15Å; V115-W206 HydrophobicContact CG1-CG 4.43Å; V115-P207 HydrophobicContact CB-CG 4.18Å; V115-P207 HydrophobicContact CG1-CG 4.07Å; V115-P207 PolarHBondContact N-O 3.39Å; V115-A212 HydrophobicContact CB-CB 3.98Å; V115-A212 HydrophobicContact CG2-CB 3.55Å; V115-R214 HydrophobicContact CG2-CB 4.03Å
116E94.7Very high95Very high46 Ų4624.3 Ų24.322%0.21511%0.113CC..Hα-helixtrans-63.4-45.5-176.6-61.5-56.3142.300112.2N114 G118 L119 L120 W206 R214N114-E116 PolarHBondContact O-N 3.41Å; N114-E116 PolarHBondContact OD1-N 3.49Å; N114-E116 VanDerWaalsContact OD1-N 3.15Å; E116-G118 VanDerWaalsContact C-N 3.34Å; E116-G118 PolarHBondContact O-N 3.41Å; E116-L119 PolarHBondContact O-N 3.12Å; E116-L120 PolarHBondContact O-N 3.42Å; E116-W206 HydrophobicContact CB-CE3 4.19Å; E116-W206 HydrophobicContact CB-CH2 4.44Å; E116-W206 HydrophobicContact CB-CZ3 3.9Å; E116-W206 HydrophobicContact CG-CD2 3.95Å; E116-W206 HydrophobicContact CG-CE3 3.68Å; E116-W206 HydrophobicContact CG-CH2 3.74Å; E116-W206 HydrophobicContact CG-CZ2 4.01Å; E116-W206 HydrophobicContact CG-CZ3 3.52Å; E116-R214 IonicContact OE1-CZ 3.01Å; E116-R214 IonicContact OE1-NH1 3.59Å; E116-R214 PolarHBondContact OE1-NH1 3.28Å; E116-R214 IonicContact OE1-NH2 3.76Å; E116-R214 PolarHBondContact OE1-NH2 2.84Å
117N96.3Very high94.5Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-63.3-41.7174.4-75.1-15.4000111.3Y80 L83 V109 D113 N114 V115 L120 A121Y80-N117 VanDerWaalsContact CA-OD1 3.28Å; Y80-N117 WeakPolarHBondContact CA-OD1 3.48Å; Y80-N117 WeakPolarHBondContact CB-OD1 3.39Å; Y80-N117 WeakPolarHBondContact CD2-OD1 3.18Å; L83-N117 HydrophobicContact CD1-CB 3.73Å; V109-N117 HydrophobicContact CG1-CB 4.25Å; D113-N117 HydrophobicContact CB-CB 4.15Å; D113-N117 PolarHBondContact OD1-ND2 2.83Å; D113-N117 VanDerWaalsContact OD1-ND2 3.07Å; D113-N117 PolarHBondContact OD2-ND2 3.02Å; N114-N117 PolarHBondContact ND2-ND2 3.07Å; N114-N117 PolarHBondContact O-N 2.79Å; N114-N117 PolarHBondContact OD1-N 2.94Å; V115-N117 PolarHBondContact O-N 3.07Å; N117-L120 PolarHBondContact O-N 3.45Å; N117-A121 WeakPolarHBondContact O-CB 3.35Å; N117-A121 PolarHBondContact O-N 3.06Å
118G96.8Very high94.2Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-67.6-35.8178.500000113.7N114 V115 E116 A121 L122 S209N114-G118 PolarHBondContact O-N 3.15Å; V115-G118 PolarHBondContact O-N 3.16Å; E116-G118 VanDerWaalsContact C-N 3.34Å; E116-G118 PolarHBondContact O-N 3.41Å; G118-A121 PolarHBondContact O-N 3.17Å; G118-L122 WeakPolarHBondContact O-CG 3.49Å; G118-L122 PolarHBondContact O-N 3.43Å; G118-S209 WeakPolarHBondContact CA-OG 3.26Å
119L96.7Very high93.8Very high22 Ų2223.1 Ų23.112%0.11511%0.112CC..Hα-helixtrans-61.2-47.8173.7-71.4175.8000110.8V115 E116 A121 L122 K123 R214 E218V115-L119 HydrophobicContact CG2-CD1 4.25Å; V115-L119 HydrophobicContact CG2-CG 4.2Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 3.07Å; E116-L119 PolarHBondContact O-N 3.12Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 3.39Å; L119-L122 PolarHBondContact O-N 3.27Å; L119-K123 WeakPolarHBondContact O-CG 3.38Å; L119-K123 PolarHBondContact O-N 3.29Å; L119-K123 VanDerWaalsContact O-N 3.11Å; L119-R214 HydrophobicContact CD1-CB 4.47Å; L119-R214 HydrophobicContact CD2-CB 4.42Å; L119-R214 WeakPolarHBondContact CD2-O 3.3Å; L119-E218 HydrophobicContact CD2-CB 3.51Å; L119-E218 HydrophobicContact CD2-CG 4.03Å
120L95.8Very high93Very high28 Ų2827 Ų2715%0.14714%0.135CC..Hα-helixtrans-64-40.1176.6-174.255.8000111.3Y80 L83 A87 E116 N117 L122 K123 L124Y80-L120 HydrophobicContact CE2-CD2 4.28Å; L83-L120 HydrophobicContact CB-CD2 3.57Å; L83-L120 HydrophobicContact CB-CG 4.12Å; A87-L120 HydrophobicContact CB-CD1 4.38Å; E116-L120 PolarHBondContact O-N 3.42Å; N117-L120 PolarHBondContact O-N 3.45Å; L120-L122 VanDerWaalsContact C-N 3.35Å; L120-L122 PolarHBondContact O-N 3.2Å; L120-K123 PolarHBondContact O-N 2.82Å; L120-L124 HydrophobicContact CG-CD1 4.25Å; L120-L124 WeakPolarHBondContact O-CB 3.31Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.35Å; L120-L124 PolarHBondContact O-N 3.32Å
121A96.7Very high92Very high1 Ų132.9 Ų32.91%0.00816%0.161CC..Hα-helixtrans-62.2-39.6177.300000112.9L106 V109 N117 G118 L119 L124 F125L106-A121 HydrophobicContact CB-CB 4.46Å; L106-A121 HydrophobicContact CD2-CB 4.04Å; V109-A121 HydrophobicContact CB-CB 4.07Å; V109-A121 HydrophobicContact CG1-CB 3.73Å; N117-A121 WeakPolarHBondContact O-CB 3.35Å; N117-A121 PolarHBondContact O-N 3.06Å; G118-A121 PolarHBondContact O-N 3.17Å; L119-A121 VanDerWaalsContact C-N 3.32Å; L119-A121 PolarHBondContact O-N 3.39Å; A121-L124 WeakPolarHBondContact O-CB 3.36Å; A121-L124 PolarHBondContact O-N 3.49Å; A121-F125 WeakPolarHBondContact O-CB 3.45Å; A121-F125 PolarHBondContact O-N 2.91Å
122L97.1Very high91.4Very high2 Ų230.4 Ų30.41%0.0115%0.152CC..Hα-helixtrans-69.1-38.8176.2-74.4175000112.9Y110 G118 L119 L120 L124 F125 R126 L143 E218 L219 T222Y110-L122 HydrophobicContact CD1-CD2 4.32Å; Y110-L122 HydrophobicContact CD2-CD1 3.5Å; Y110-L122 VanDerWaalsContact CD2-CD1 3.5Å; Y110-L122 HydrophobicContact CD2-CD2 4.01Å; Y110-L122 HydrophobicContact CD2-CG 3.63Å; Y110-L122 HydrophobicContact CE2-CD1 3.41Å; Y110-L122 VanDerWaalsContact CE2-CD1 3.41Å; Y110-L122 HydrophobicContact CE2-CD2 4.42Å; Y110-L122 HydrophobicContact CE2-CG 4.07Å; Y110-L122 HydrophobicContact CG-CD1 4.3Å; Y110-L122 HydrophobicContact CG-CD2 3.97Å; Y110-L122 HydrophobicContact CG-CG 4.05Å; G118-L122 WeakPolarHBondContact O-CG 3.49Å; G118-L122 PolarHBondContact O-N 3.43Å; L119-L122 PolarHBondContact O-N 3.27Å; L120-L122 VanDerWaalsContact C-N 3.35Å; L120-L122 PolarHBondContact O-N 3.2Å; L122-L124 VanDerWaalsContact C-N 3.32Å; L122-F125 PolarHBondContact O-N 2.84Å; L122-R126 PolarHBondContact O-N 2.78Å; L122-L143 HydrophobicContact CD2-CD2 4.44Å; L122-E218 HydrophobicContact CB-CG 3.81Å; L122-E218 HydrophobicContact CD1-CB 3.91Å; L122-E218 HydrophobicContact CD1-CG 4.04Å; L122-L219 HydrophobicContact CD1-CB 3.94Å; L122-L219 HydrophobicContact CD2-CD1 3.87Å; L122-T222 HydrophobicContact CD2-CG2 4.47Å; L122-T222 PolarHBondContact O-OG1 2.91Å
123K93.6Very high90.9Very high107 Ų10730 Ų3047%0.46515%0.146SC..Hα-helixtrans-61.8-43.2173.4-71.4175.3-178179.90111.1L119 L120 R126 N127 E218L119-K123 WeakPolarHBondContact O-CG 3.38Å; L119-K123 PolarHBondContact O-N 3.29Å; L119-K123 VanDerWaalsContact O-N 3.11Å; L120-K123 PolarHBondContact O-N 2.82Å; K123-R126 WeakPolarHBondContact O-CB 3.26Å; K123-R126 PolarHBondContact O-N 3.11Å; K123-N127 PolarHBondContact O-N 2.99Å; K123-E218 VanDerWaalsContact CE-OE2 3.27Å; K123-E218 WeakPolarHBondContact CE-OE2 3.4Å; K123-E218 HydrophobicContact CG-CG 4.38Å; K123-E218 WeakPolarHBondContact CG-OE1 3.42Å
124L92.3Very high90.3Very high11 Ų1134.3 Ų34.36%0.05818%0.182CC..Hα-helixtrans-62.5-43.3173.8-74.3172000112.4L83 I86 A87 L106 L120 A121 L122 R126 N127 C128L83-L124 HydrophobicContact CD2-CD1 4.26Å; I86-L124 HydrophobicContact CB-CD1 4.39Å; I86-L124 HydrophobicContact CG2-CD1 4.21Å; I86-L124 HydrophobicContact CG2-CD2 4.46Å; A87-L124 HydrophobicContact CB-CD1 4.41Å; A87-L124 HydrophobicContact CB-CD2 3.46Å; A87-L124 VanDerWaalsContact CB-CD2 3.46Å; A87-L124 HydrophobicContact CB-CG 4.22Å; L106-L124 HydrophobicContact CD1-CB 3.68Å; L106-L124 HydrophobicContact CD2-CB 3.92Å; L106-L124 HydrophobicContact CD2-CD1 3.83Å; L106-L124 HydrophobicContact CG-CB 4.46Å; L120-L124 HydrophobicContact CG-CD1 4.25Å; L120-L124 WeakPolarHBondContact O-CB 3.31Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 3.35Å; L120-L124 PolarHBondContact O-N 3.32Å; A121-L124 WeakPolarHBondContact O-CB 3.36Å; A121-L124 PolarHBondContact O-N 3.49Å; L122-L124 VanDerWaalsContact C-N 3.32Å; L124-R126 VanDerWaalsContact C-N 3.29Å; L124-R126 PolarHBondContact O-N 3.49Å; L124-N127 WeakPolarHBondContact O-CB 3.34Å; L124-N127 PolarHBondContact O-N 3.37Å; L124-N127 VanDerWaalsContact O-N 3.14Å; L124-C128 PolarHBondContact O-N 3.44Å; L124-C128 PolarHBondContact O-SG 3.13Å
125F94.1Very high89.9Confident1 Ų137.7 Ų37.70%0.00421%0.206CC..Hα-helixtrans-63.1-37.3178.4-167.2-86.9000111.5A103 L106 V107 A121 L122 N127 C128 I129 I136 Q139 I140 L143 T222A103-F125 HydrophobicContact CB-CD2 4.22Å; A103-F125 HydrophobicContact CB-CE2 3.76Å; L106-F125 HydrophobicContact CB-CD2 4.23Å; L106-F125 HydrophobicContact CD1-CB 4.32Å; V107-F125 HydrophobicContact CG2-CD2 3.91Å; V107-F125 HydrophobicContact CG2-CE2 3.48Å; V107-F125 VanDerWaalsContact CG2-CE2 3.48Å; V107-F125 HydrophobicContact CG2-CZ 4.16Å; A121-F125 WeakPolarHBondContact O-CB 3.45Å; A121-F125 PolarHBondContact O-N 2.91Å; L122-F125 PolarHBondContact O-N 2.84Å; F125-N127 VanDerWaalsContact C-N 3.3Å; F125-N127 PolarHBondContact O-N 2.88Å; F125-C128 WeakPolarHBondContact O-CA 3.35Å; F125-C128 WeakPolarHBondContact O-CB 3.44Å; F125-C128 PolarHBondContact O-N 3.34Å; F125-I129 HydrophobicContact CD1-CD1 3.49Å; F125-I129 VanDerWaalsContact CD1-CD1 3.49Å; F125-I129 HydrophobicContact CD1-CG1 3.82Å; F125-I129 HydrophobicContact CE1-CD1 3.55Å; F125-I129 HydrophobicContact CE1-CG1 3.6Å; F125-I129 WeakPolarHBondContact O-CG1 3.4Å; F125-I129 PolarHBondContact O-N 2.86Å; F125-I136 HydrophobicContact CE1-CD1 4.34Å; F125-I136 HydrophobicContact CZ-CD1 4.05Å; F125-Q139 HydrophobicContact CE2-CB 3.82Å; F125-Q139 HydrophobicContact CZ-CB 3.87Å; F125-I140 HydrophobicContact CE1-CG1 4.28Å; F125-I140 HydrophobicContact CZ-CG1 4.24Å; F125-L143 HydrophobicContact CD1-CD1 3.46Å; F125-L143 VanDerWaalsContact CD1-CD1 3.46Å; F125-L143 HydrophobicContact CD2-CD1 4.23Å; F125-L143 HydrophobicContact CE1-CD1 3.33Å; F125-L143 HydrophobicContact CE2-CD1 4.09Å; F125-L143 HydrophobicContact CG-CD1 3.93Å; F125-L143 HydrophobicContact CZ-CD1 3.66Å; F125-T222 HydrophobicContact CD1-CG2 3.89Å
126R91.6Very high89.5Confident60 Ų6037.7 Ų37.723%0.22621%0.206CC..Hα-helixtrans-57.8-41.8173-164.4176.6-54.5152.616.7112.5L122 K123 L124 C128 I129 E218 T222 A225L122-R126 PolarHBondContact O-N 2.78Å; K123-R126 WeakPolarHBondContact O-CB 3.26Å; K123-R126 PolarHBondContact O-N 3.11Å; L124-R126 VanDerWaalsContact C-N 3.29Å; L124-R126 PolarHBondContact O-N 3.49Å; R126-C128 VanDerWaalsContact C-N 3.3Å; R126-C128 PolarHBondContact O-N 2.8Å; R126-I129 PolarHBondContact O-N 2.96Å; R126-E218 IonicContact CZ-OE1 3.9Å; R126-E218 IonicContact NH1-OE1 2.66Å; R126-E218 PolarHBondContact NH2-O 3Å; R126-E218 IonicContact NH2-OE1 2.88Å; R126-E218 PolarHBondContact NH2-OE1 3.37Å; R126-T222 PolarHBondContact NE-OG1 3.21Å; R126-T222 PolarHBondContact NH2-OG1 2.9Å; R126-A225 HydrophobicContact CG-CB 3.6Å
127N85.1Confident89.3Confident75 Ų7537.7 Ų37.740%0.40121%0.211SC..Hα-helixtrans-67.1-30.9174.2-65.3-10.5000112.4L91 K123 L124 F125 T130L91-N127 HydrophobicContact CD2-CB 4.36Å; K123-N127 PolarHBondContact O-N 2.99Å; L124-N127 WeakPolarHBondContact O-CB 3.34Å; L124-N127 PolarHBondContact O-N 3.37Å; L124-N127 VanDerWaalsContact O-N 3.14Å; F125-N127 VanDerWaalsContact C-N 3.3Å; F125-N127 PolarHBondContact O-N 2.88Å; N127-T130 PolarHBondContact O-OG1 2.86Å
128C87.4Confident89.1Confident3 Ų342.1 Ų42.12%0.0223%0.232CC..Hα-helixtrans-69.6-39.4175.4-59.90000111.8L124 F125 R126 T130 K131 A132 I136L124-C128 PolarHBondContact O-N 3.44Å; L124-C128 PolarHBondContact O-SG 3.13Å; F125-C128 WeakPolarHBondContact O-CA 3.35Å; F125-C128 WeakPolarHBondContact O-CB 3.44Å; F125-C128 PolarHBondContact O-N 3.34Å; R126-C128 VanDerWaalsContact C-N 3.3Å; R126-C128 PolarHBondContact O-N 2.8Å; C128-T130 VanDerWaalsContact C-N 3.32Å; C128-T130 PolarHBondContact O-N 3.24Å; C128-K131 PolarHBondContact O-N 2.9Å; C128-A132 PolarHBondContact O-N 3.34Å; C128-I136 HydrophobicContact CB-CD1 4.23Å
129I87.7Confident89Confident1 Ų143.1 Ų43.11%0.00524%0.236CC..Hα-helixtrans-57.3-44.5179.6-68.8157.6000111.3F125 R126 K131 Q133 I136 T222 V226 M229F125-I129 HydrophobicContact CD1-CD1 3.49Å; F125-I129 VanDerWaalsContact CD1-CD1 3.49Å; F125-I129 HydrophobicContact CD1-CG1 3.82Å; F125-I129 HydrophobicContact CE1-CD1 3.55Å; F125-I129 HydrophobicContact CE1-CG1 3.6Å; F125-I129 WeakPolarHBondContact O-CG1 3.4Å; F125-I129 PolarHBondContact O-N 2.86Å; R126-I129 PolarHBondContact O-N 2.96Å; I129-K131 PolarHBondContact O-N 3.2Å; I129-K131 VanDerWaalsContact O-N 3.17Å; I129-Q133 WeakPolarHBondContact O-CB 3.35Å; I129-Q133 PolarHBondContact O-N 3.14Å; I129-I136 HydrophobicContact CB-CD1 4.42Å; I129-I136 HydrophobicContact CG1-CD1 3.87Å; I129-T222 HydrophobicContact CD1-CG2 3.91Å; I129-V226 HydrophobicContact CD1-CB 4.49Å; I129-V226 HydrophobicContact CD1-CG2 3.31Å; I129-V226 HydrophobicContact CG1-CG2 4.11Å; I129-M229 HydrophobicContact CG2-CB 4.47Å; I129-M229 HydrophobicContact CG2-CG 3.98Å
130T80.4Confident88.9Confident83 Ų8342.4 Ų42.451%0.50923%0.233SC..Hα-helixtrans-67-17.6-175.156.80000114.2N127 C128N127-T130 PolarHBondContact O-OG1 2.86Å; C128-T130 VanDerWaalsContact C-N 3.32Å; C128-T130 PolarHBondContact O-N 3.24Å
131K75.9Confident88.8Confident125 Ų12547.1 Ų47.154%0.54325%0.248SC..Hα-helixtrans-114.9-35.7-177.8-71.4-67.1-170.61730114.3L91 C128 I129L91-K131 HydrophobicContact CD2-CG 4.47Å; C128-K131 PolarHBondContact O-N 2.9Å; I129-K131 PolarHBondContact O-N 3.2Å; I129-K131 VanDerWaalsContact O-N 3.17Å
132A80.4Confident88.7Confident12 Ų1250.1 Ų50.110%0.09926%0.262CS..Hα-helixtrans-124.621.5-165.400000113.2W99 C128 A134 S135 I136W99-A132 HydrophobicContact CB-CB 3.62Å; W99-A132 HydrophobicContact CG-CB 4.01Å; C128-A132 PolarHBondContact O-N 3.34Å; A132-A134 VanDerWaalsContact C-N 3.26Å; A132-A134 PolarHBondContact O-N 3.14Å; A132-S135 PolarHBondContact O-N 3.16Å; A132-S135 PolarHBondContact O-OG 2.85Å; A132-I136 HydrophobicContact CB-CG2 4.37Å; A132-I136 WeakPolarHBondContact O-CG1 3.47Å; A132-I136 PolarHBondContact O-N 3.38Å
133Q83.1Confident88.7Confident52 Ų5250 Ų5024%0.24326%0.262CS..THydrogen-bonded Turntrans-44.9-46.6-174-168.6-179.514.300114I129 S135 I136 S137 I140I129-Q133 WeakPolarHBondContact O-CB 3.35Å; I129-Q133 PolarHBondContact O-N 3.14Å; Q133-S135 PolarHBondContact O-N 3.24Å; Q133-I136 PolarHBondContact O-N 2.86Å; Q133-S137 PolarHBondContact O-N 3.08Å; Q133-S137 PolarHBondContact O-OG 2.98Å; Q133-I140 HydrophobicContact CG-CD1 3.8Å
134A81.6Confident88.7Confident92 Ų9245 Ų4576%0.7624%0.24SC*.THydrogen-bonded Turntrans-61.3-43.7-178.300000112.5A132 I136 S137A132-A134 VanDerWaalsContact C-N 3.26Å; A132-A134 PolarHBondContact O-N 3.14Å; A134-I136 VanDerWaalsContact C-N 3.33Å; A134-I136 PolarHBondContact O-N 3.43Å; A134-S137 PolarHBondContact O-OG 2.81Å
135S85.1Confident88.9Confident70 Ų7047 Ų4749%0.4926%0.255SS..THydrogen-bonded Turntrans-75.7-21-178.5630000113.2A132 Q133A132-S135 PolarHBondContact O-N 3.16Å; A132-S135 PolarHBondContact O-OG 2.85Å; Q133-S135 PolarHBondContact O-N 3.24Å
136I87.5Confident88.9Confident0 Ų048 Ų480%026%0.261CS..THydrogen-bonded Turntrans-102.415.6-178.971173.6000113.9A103 F125 C128 I129 A132 Q133 A134 Q138 Q139 I140A103-I136 HydrophobicContact CB-CB 4.07Å; A103-I136 HydrophobicContact CB-CG2 3.52Å; F125-I136 HydrophobicContact CE1-CD1 4.34Å; F125-I136 HydrophobicContact CZ-CD1 4.05Å; C128-I136 HydrophobicContact CB-CD1 4.23Å; I129-I136 HydrophobicContact CB-CD1 4.42Å; I129-I136 HydrophobicContact CG1-CD1 3.87Å; A132-I136 HydrophobicContact CB-CG2 4.37Å; A132-I136 WeakPolarHBondContact O-CG1 3.47Å; A132-I136 PolarHBondContact O-N 3.38Å; Q133-I136 PolarHBondContact O-N 2.86Å; A134-I136 VanDerWaalsContact C-N 3.33Å; A134-I136 PolarHBondContact O-N 3.43Å; I136-Q138 PolarHBondContact O-N 2.96Å; I136-Q138 VanDerWaalsContact O-N 3.14Å; I136-Q139 VanDerWaalsContact C-OE1 3.31Å; I136-Q139 VanDerWaalsContact CA-OE1 3.3Å; I136-Q139 PolarHBondContact O-N 3.05Å; I136-Q139 PolarHBondContact O-OE1 3Å; I136-I140 HydrophobicContact CD1-CD1 4.17Å; I136-I140 HydrophobicContact CD1-CG1 4.27Å; I136-I140 HydrophobicContact CG1-CD1 3.79Å; I136-I140 HydrophobicContact CG1-CG1 4.06Å; I136-I140 PolarHBondContact O-N 3.49Å
137S89.5Confident89.1Confident46 Ų4645.1 Ų45.132%0.32225%0.25SS..Hα-helixtrans-54.7-35.5-175.2-64.40000113.7Q133 A134 R141Q133-S137 PolarHBondContact O-N 3.08Å; Q133-S137 PolarHBondContact O-OG 2.98Å; A134-S137 PolarHBondContact O-OG 2.81Å; S137-R141 PolarHBondContact O-N 3.47Å
138Q92.2Very high89.6Confident93 Ų9343.6 Ų43.644%0.43524%0.24SC..Hα-helixtrans-69.1-44177.8-179.95823.700111.7I136 I140 R141 E142I136-Q138 PolarHBondContact O-N 2.96Å; I136-Q138 VanDerWaalsContact O-N 3.14Å; Q138-I140 VanDerWaalsContact C-N 3.31Å; Q138-I140 PolarHBondContact O-N 3.4Å; Q138-R141 PolarHBondContact O-N 3.22Å; Q138-E142 WeakPolarHBondContact O-CG 3.41Å; Q138-E142 PolarHBondContact O-N 2.87Å
139Q94.5Very high89.8Confident21 Ų2147.2 Ų47.210%0.09826%0.259CS..Hα-helixtrans-66.1-36179-67.674.813.300111.3A103 K104 V107 F125 I136 E142 L143A103-Q139 HydrophobicContact CB-CB 4.42Å; A103-Q139 HydrophobicContact CB-CG 4.12Å; K104-Q139 HydrophobicContact CB-CG 4.45Å; V107-Q139 HydrophobicContact CG2-CB 3.96Å; V107-Q139 HydrophobicContact CG2-CG 4.39Å; F125-Q139 HydrophobicContact CE2-CB 3.82Å; F125-Q139 HydrophobicContact CZ-CB 3.87Å; I136-Q139 VanDerWaalsContact C-OE1 3.31Å; I136-Q139 VanDerWaalsContact CA-OE1 3.3Å; I136-Q139 PolarHBondContact O-N 3.05Å; I136-Q139 PolarHBondContact O-OE1 3Å; Q139-E142 PolarHBondContact O-N 3.31Å; Q139-L143 PolarHBondContact O-N 3.46Å
140I94.5Very high90.1Very high8 Ų848.1 Ų48.14%0.04126%0.264CS..Hα-helixtrans-59.2-53.4171.6-71.9171.5000110.2F125 Q133 I136 Q138 E142 L143 V144 V226 F233F125-I140 HydrophobicContact CE1-CG1 4.28Å; F125-I140 HydrophobicContact CZ-CG1 4.24Å; Q133-I140 HydrophobicContact CG-CD1 3.8Å; I136-I140 HydrophobicContact CD1-CD1 4.17Å; I136-I140 HydrophobicContact CD1-CG1 4.27Å; I136-I140 HydrophobicContact CG1-CD1 3.79Å; I136-I140 HydrophobicContact CG1-CG1 4.06Å; I136-I140 PolarHBondContact O-N 3.49Å; Q138-I140 VanDerWaalsContact C-N 3.31Å; Q138-I140 PolarHBondContact O-N 3.4Å; I140-E142 VanDerWaalsContact C-N 3.25Å; I140-E142 PolarHBondContact O-N 3.5Å; I140-L143 PolarHBondContact O-N 3.2Å; I140-L143 VanDerWaalsContact O-N 3.1Å; I140-V144 HydrophobicContact CG2-CG2 4.4Å; I140-V144 WeakPolarHBondContact O-CG2 3.21Å; I140-V144 PolarHBondContact O-N 3.04Å; I140-V226 HydrophobicContact CG1-CG2 4.41Å; I140-V226 HydrophobicContact CG2-CG1 3.47Å; I140-V226 VanDerWaalsContact CG2-CG1 3.47Å; I140-V226 HydrophobicContact CG2-CG2 4.28Å; I140-F233 HydrophobicContact CG2-CD1 4.22Å; I140-F233 HydrophobicContact CG2-CE1 3.64Å; I140-F233 HydrophobicContact CG2-CZ 4.48Å
141R94.2Very high90.7Very high126 Ų12644.3 Ų44.348%0.47524%0.24SC..Hα-helixtrans-57.8-39.2178.2-73.8-172.6-66.5-94.93.2112.3S137 Q138 V144 S145 F233S137-R141 PolarHBondContact O-N 3.47Å; Q138-R141 PolarHBondContact O-N 3.22Å; R141-V144 PolarHBondContact O-N 3.49Å; R141-S145 PolarHBondContact O-N 3.23Å; R141-F233 HydrophobicContact CG-CE2 4.28Å; R141-F233 HydrophobicContact CG-CZ 4.02Å
142E95.3Very high91.4Very high64 Ų6443.6 Ų43.630%0.29924%0.239SC..Hα-helixtrans-61.8-45.1174.7-75.9-176.6-139.400112.8V107 K111 Q138 Q139 I140 S145 V146V107-E142 HydrophobicContact CG1-CB 4.41Å; K111-E142 IonicContact NZ-OE2 2.71Å; K111-E142 PolarHBondContact NZ-OE2 2.87Å; Q138-E142 WeakPolarHBondContact O-CG 3.41Å; Q138-E142 PolarHBondContact O-N 2.87Å; Q139-E142 PolarHBondContact O-N 3.31Å; I140-E142 VanDerWaalsContact C-N 3.25Å; I140-E142 PolarHBondContact O-N 3.5Å; E142-S145 WeakPolarHBondContact O-CB 3.39Å; E142-S145 PolarHBondContact O-N 2.69Å; E142-V146 WeakPolarHBondContact O-CG2 3.13Å; E142-V146 PolarHBondContact O-N 3.23Å
143L95.7Very high91.8Very high1 Ų148.1 Ų48.11%0.00526%0.258CS..Hα-helixtrans-66.7-37.7176.8-76.1-178.9000112.3V107 Y110 L122 F125 Q139 I140 S145 V146 F147 L219 I223V107-L143 HydrophobicContact CG1-CD2 4.14Å; V107-L143 HydrophobicContact CG1-CG 4.42Å; V107-L143 HydrophobicContact CG2-CD1 4.01Å; V107-L143 HydrophobicContact CG2-CD2 4.04Å; V107-L143 HydrophobicContact CG2-CG 3.77Å; Y110-L143 HydrophobicContact CD1-CD2 3.97Å; Y110-L143 HydrophobicContact CE1-CD2 4.48Å; L122-L143 HydrophobicContact CD2-CD2 4.44Å; F125-L143 HydrophobicContact CD1-CD1 3.46Å; F125-L143 VanDerWaalsContact CD1-CD1 3.46Å; F125-L143 HydrophobicContact CD2-CD1 4.23Å; F125-L143 HydrophobicContact CE1-CD1 3.33Å; F125-L143 HydrophobicContact CE2-CD1 4.09Å; F125-L143 HydrophobicContact CG-CD1 3.93Å; F125-L143 HydrophobicContact CZ-CD1 3.66Å; Q139-L143 PolarHBondContact O-N 3.46Å; I140-L143 PolarHBondContact O-N 3.2Å; I140-L143 VanDerWaalsContact O-N 3.1Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.49Å; L143-V146 PolarHBondContact O-N 3.18Å; L143-F147 WeakPolarHBondContact O-CB 3.37Å; L143-F147 PolarHBondContact O-N 2.94Å; L143-L219 HydrophobicContact CD2-CD1 4.13Å; L143-I223 HydrophobicContact CB-CD1 4.35Å
144V95.2Very high92.1Very high1 Ų146 Ų461%0.00625%0.248CC..Hα-helixtrans-62.5-40.5174178.30000110.9I140 R141 F147 K148 I223 F227 F233 E237 M241I140-V144 HydrophobicContact CG2-CG2 4.4Å; I140-V144 WeakPolarHBondContact O-CG2 3.21Å; I140-V144 PolarHBondContact O-N 3.04Å; R141-V144 PolarHBondContact O-N 3.49Å; V144-F147 PolarHBondContact O-N 3.45Å; V144-K148 HydrophobicContact CG1-CD 4.39Å; V144-K148 WeakPolarHBondContact O-CG 3.48Å; V144-K148 PolarHBondContact O-N 3.47Å; V144-I223 HydrophobicContact CG2-CD1 3.99Å; V144-F227 HydrophobicContact CG1-CZ 4.33Å; V144-F227 HydrophobicContact CG2-CZ 4.11Å; V144-F233 HydrophobicContact CB-CE1 4.44Å; V144-F233 HydrophobicContact CB-CZ 4.26Å; V144-F233 HydrophobicContact CG1-CZ 4.39Å; V144-F233 HydrophobicContact CG2-CE1 3.53Å; V144-F233 HydrophobicContact CG2-CZ 3.83Å; V144-E237 HydrophobicContact CG1-CB 4.44Å; V144-E237 HydrophobicContact CG1-CG 4.16Å; V144-M241 HydrophobicContact CG1-SD 4.01Å
145S95.1Very high92.3Very high53 Ų5342.5 Ų42.537%0.37122%0.218SC..Hα-helixtrans-59.3-48.9173.2-166.70000111.5R141 E142 L143 F147 K148 D149R141-S145 PolarHBondContact O-N 3.23Å; E142-S145 WeakPolarHBondContact O-CB 3.39Å; E142-S145 PolarHBondContact O-N 2.69Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.49Å; S145-F147 VanDerWaalsContact C-N 3.31Å; S145-F147 PolarHBondContact O-N 3.47Å; S145-K148 PolarHBondContact O-N 3.39Å; S145-D149 VanDerWaalsContact O-CG 3.27Å; S145-D149 PolarHBondContact O-N 3.41Å
146V95.1Very high92.2Very high22 Ų2246.1 Ų46.113%0.13323%0.229CC..Hα-helixtrans-61.3-41.5178.5174.40000111.5Y110 K111 E142 L143 K148 D149 I150 L219Y110-V146 HydrophobicContact CE1-CG1 3.82Å; K111-V146 VanDerWaalsContact CE-CG2 3.5Å; K111-V146 HydrophobicContact CG-CG2 4.41Å; E142-V146 WeakPolarHBondContact O-CG2 3.13Å; E142-V146 PolarHBondContact O-N 3.23Å; L143-V146 PolarHBondContact O-N 3.18Å; V146-K148 PolarHBondContact O-N 2.67Å; V146-D149 PolarHBondContact O-N 2.92Å; V146-I150 HydrophobicContact CG1-CD1 3.57Å; V146-I150 HydrophobicContact CG1-CG1 4.24Å; V146-I150 WeakPolarHBondContact O-CB 3.29Å; V146-I150 VanDerWaalsContact O-CG1 3.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.28Å; V146-I150 PolarHBondContact O-N 3.28Å; V146-L219 HydrophobicContact CG1-CD2 4.38Å
147F95.9Very high92Very high0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-57.9-47.9175.7175.6-92.9000111.5L143 V144 S145 D149 I150 Y151 L219 T220 I223 M241 I245L143-F147 WeakPolarHBondContact O-CB 3.37Å; L143-F147 PolarHBondContact O-N 2.94Å; V144-F147 PolarHBondContact O-N 3.45Å; S145-F147 VanDerWaalsContact C-N 3.31Å; S145-F147 PolarHBondContact O-N 3.47Å; F147-D149 PolarHBondContact O-N 3.19Å; F147-I150 PolarHBondContact O-N 2.91Å; F147-Y151 HydrophobicContact CD1-CD2 4.31Å; F147-Y151 AromaticContact CD2-CD2 3.67Å; F147-Y151 HydrophobicContact CD2-CD2 3.67Å; F147-Y151 AromaticContact CD2-CE2 3.6Å; F147-Y151 HydrophobicContact CD2-CE2 3.6Å; F147-Y151 HydrophobicContact CE1-CD2 4.04Å; F147-Y151 HydrophobicContact CE1-CE2 4.39Å; F147-Y151 HydrophobicContact CE1-CG 4.28Å; F147-Y151 AromaticContact CE2-CD2 3.41Å; F147-Y151 HydrophobicContact CE2-CD2 3.41Å; F147-Y151 VanDerWaalsContact CE2-CD2 3.41Å; F147-Y151 AromaticContact CE2-CE2 3.03Å; F147-Y151 HydrophobicContact CE2-CE2 3.03Å; F147-Y151 HydrophobicContact CE2-CG 4.3Å; F147-Y151 AromaticContact CE2-CZ 3.66Å; F147-Y151 HydrophobicContact CG-CD2 4.14Å; F147-Y151 HydrophobicContact CG-CE2 4.49Å; F147-Y151 HydrophobicContact CZ-CD1 4.35Å; F147-Y151 AromaticContact CZ-CD2 3.6Å; F147-Y151 HydrophobicContact CZ-CD2 3.6Å; F147-Y151 HydrophobicContact CZ-CE1 4.25Å; F147-Y151 AromaticContact CZ-CE2 3.5Å; F147-Y151 HydrophobicContact CZ-CE2 3.5Å; F147-Y151 VanDerWaalsContact CZ-CE2 3.5Å; F147-Y151 HydrophobicContact CZ-CG 4.04Å; F147-Y151 AromaticContact CZ-CZ 3.82Å; F147-Y151 WeakPolarHBondContact O-CB 3.34Å; F147-Y151 WeakPolarHBondContact O-CD2 3.47Å; F147-Y151 PolarHBondContact O-N 2.86Å; F147-L219 HydrophobicContact CB-CD2 3.9Å; F147-L219 HydrophobicContact CB-CG 4.4Å; F147-L219 HydrophobicContact CD2-CD2 4.12Å; F147-L219 HydrophobicContact CD2-CG 4.13Å; F147-T220 HydrophobicContact CE2-CG2 4.24Å; F147-I223 HydrophobicContact CB-CD1 4.08Å; F147-I223 HydrophobicContact CB-CG1 4Å; F147-I223 HydrophobicContact CD2-CB 4.26Å; F147-I223 HydrophobicContact CD2-CG1 3.7Å; F147-I223 HydrophobicContact CD2-CG2 4.43Å; F147-I223 HydrophobicContact CE2-CB 4.4Å; F147-I223 HydrophobicContact CE2-CG1 4.32Å; F147-I223 HydrophobicContact CE2-CG2 4.43Å; F147-I223 HydrophobicContact CG-CD1 4.41Å; F147-I223 HydrophobicContact CG-CG1 3.91Å; F147-I223 HydrophobicContact CG-CG2 4.45Å; F147-M241 HydrophobicContact CD1-CG 4.26Å; F147-M241 HydrophobicContact CD1-SD 4.2Å; F147-M241 HydrophobicContact CE1-CB 4.26Å; F147-M241 HydrophobicContact CE1-CG 4.21Å; F147-M241 HydrophobicContact CE1-SD 4.22Å; F147-I245 HydrophobicContact CE1-CD1 4.18Å; F147-I245 HydrophobicContact CE1-CG1 4.29Å; F147-I245 HydrophobicContact CZ-CD1 3.95Å; F147-I245 HydrophobicContact CZ-CG1 4.03Å
148K94.5Very high91.7Very high43 Ų4346.7 Ų46.719%0.18723%0.226CC..Hα-helixtrans-59.4-47.9177.8-72179.2-60.8-171.80111.5V144 S145 V146 I150 Y151 Q152 E237 S240 M241V144-K148 HydrophobicContact CG1-CD 4.39Å; V144-K148 WeakPolarHBondContact O-CG 3.48Å; V144-K148 PolarHBondContact O-N 3.47Å; S145-K148 PolarHBondContact O-N 3.39Å; V146-K148 PolarHBondContact O-N 2.67Å; K148-I150 VanDerWaalsContact C-N 3.35Å; K148-I150 PolarHBondContact O-N 3.33Å; K148-Y151 PolarHBondContact O-N 2.84Å; K148-Q152 WeakPolarHBondContact O-CB 3.11Å; K148-Q152 VanDerWaalsContact O-CG 3.24Å; K148-Q152 WeakPolarHBondContact O-CG 3.31Å; K148-Q152 PolarHBondContact O-N 3.41Å; K148-E237 IonicContact NZ-OE2 3.13Å; K148-E237 PolarHBondContact NZ-OE2 3.14Å; K148-S240 WeakPolarHBondContact CD-OG 3.49Å; K148-M241 HydrophobicContact CD-CG 4.1Å; K148-M241 HydrophobicContact CG-CG 3.74Å
149D93.2Very high90.9Very high79 Ų7945.9 Ų45.942%0.42223%0.229SC..Hα-helixtrans-60.9-45.1-179.7-63.5-22.4000111.3S145 V146 F147 Q152 Q153S145-D149 VanDerWaalsContact O-CG 3.27Å; S145-D149 PolarHBondContact O-N 3.41Å; V146-D149 PolarHBondContact O-N 2.92Å; F147-D149 PolarHBondContact O-N 3.19Å; D149-Q152 PolarHBondContact O-N 3.33Å; D149-Q153 WeakPolarHBondContact O-CG 3.48Å; D149-Q153 PolarHBondContact O-N 3Å
150I92.6Very high89.9Confident20 Ų2051 Ų5110%0.10325%0.253CS..Hα-helixtrans-62.7-50.5178.1-71.1171.9000110.6Y110 V146 F147 K148 Q152 Q153 L154 A216 L219Y110-I150 WeakPolarHBondContact OH-CD1 3.31Å; V146-I150 HydrophobicContact CG1-CD1 3.57Å; V146-I150 HydrophobicContact CG1-CG1 4.24Å; V146-I150 WeakPolarHBondContact O-CB 3.29Å; V146-I150 VanDerWaalsContact O-CG1 3.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.28Å; V146-I150 PolarHBondContact O-N 3.28Å; F147-I150 PolarHBondContact O-N 2.91Å; K148-I150 VanDerWaalsContact C-N 3.35Å; K148-I150 PolarHBondContact O-N 3.33Å; I150-Q152 VanDerWaalsContact C-N 3.28Å; I150-Q152 PolarHBondContact O-N 2.96Å; I150-Q153 PolarHBondContact O-N 2.9Å; I150-Q153 VanDerWaalsContact O-N 3.1Å; I150-L154 HydrophobicContact CG2-CD1 3.45Å; I150-L154 VanDerWaalsContact CG2-CD1 3.45Å; I150-L154 HydrophobicContact CG2-CG 3.87Å; I150-L154 VanDerWaalsContact O-CG 3.27Å; I150-L154 WeakPolarHBondContact O-CG 3.32Å; I150-L154 PolarHBondContact O-N 3.29Å; I150-A216 HydrophobicContact CG2-CB 4.05Å; I150-L219 HydrophobicContact CD1-CD2 3.98Å
151Y93.8Very high89Confident2 Ų251 Ų511%0.00825%0.253CS..Hα-helixtrans-67.7-24.9-177.4-93-100.7000114.1F147 K148 L154 P155 T220 I245 V248 A277F147-Y151 HydrophobicContact CD1-CD2 4.31Å; F147-Y151 AromaticContact CD2-CD2 3.67Å; F147-Y151 HydrophobicContact CD2-CD2 3.67Å; F147-Y151 AromaticContact CD2-CE2 3.6Å; F147-Y151 HydrophobicContact CD2-CE2 3.6Å; F147-Y151 HydrophobicContact CE1-CD2 4.04Å; F147-Y151 HydrophobicContact CE1-CE2 4.39Å; F147-Y151 HydrophobicContact CE1-CG 4.28Å; F147-Y151 AromaticContact CE2-CD2 3.41Å; F147-Y151 HydrophobicContact CE2-CD2 3.41Å; F147-Y151 VanDerWaalsContact CE2-CD2 3.41Å; F147-Y151 AromaticContact CE2-CE2 3.03Å; F147-Y151 HydrophobicContact CE2-CE2 3.03Å; F147-Y151 HydrophobicContact CE2-CG 4.3Å; F147-Y151 AromaticContact CE2-CZ 3.66Å; F147-Y151 HydrophobicContact CG-CD2 4.14Å; F147-Y151 HydrophobicContact CG-CE2 4.49Å; F147-Y151 HydrophobicContact CZ-CD1 4.35Å; F147-Y151 AromaticContact CZ-CD2 3.6Å; F147-Y151 HydrophobicContact CZ-CD2 3.6Å; F147-Y151 HydrophobicContact CZ-CE1 4.25Å; F147-Y151 AromaticContact CZ-CE2 3.5Å; F147-Y151 HydrophobicContact CZ-CE2 3.5Å; F147-Y151 VanDerWaalsContact CZ-CE2 3.5Å; F147-Y151 HydrophobicContact CZ-CG 4.04Å; F147-Y151 AromaticContact CZ-CZ 3.82Å; F147-Y151 WeakPolarHBondContact O-CB 3.34Å; F147-Y151 WeakPolarHBondContact O-CD2 3.47Å; F147-Y151 PolarHBondContact O-N 2.86Å; K148-Y151 PolarHBondContact O-N 2.84Å; Y151-L154 HydrophobicContact CD2-CD1 4.4Å; Y151-P155 VanDerWaalsContact O-CD 3.31Å; Y151-P155 WeakPolarHBondContact O-CD 3.41Å; Y151-T220 WeakPolarHBondContact CE2-OG1 3.41Å; Y151-T220 WeakPolarHBondContact OH-CG2 3.44Å; Y151-T220 PolarHBondContact OH-OG1 3.34Å; Y151-I245 HydrophobicContact CD1-CB 4.46Å; Y151-I245 HydrophobicContact CD1-CG1 3.88Å; Y151-I245 HydrophobicContact CE1-CB 4.46Å; Y151-I245 HydrophobicContact CE1-CG1 3.89Å; Y151-V248 HydrophobicContact CD1-CB 4.23Å; Y151-V248 HydrophobicContact CD1-CG2 3.67Å; Y151-V248 HydrophobicContact CE1-CB 4.19Å; Y151-V248 HydrophobicContact CE1-CG1 4.28Å; Y151-V248 HydrophobicContact CE1-CG2 4Å; Y151-A277 HydrophobicContact CE1-CB 4.45Å
152Q90.6Very high87.8Confident110 Ų11045.4 Ų45.451%0.51423%0.232SC..Hα-helixtrans-73.1-31172.7-73.9176.113.300112.5K148 D149 I150K148-Q152 WeakPolarHBondContact O-CB 3.11Å; K148-Q152 VanDerWaalsContact O-CG 3.24Å; K148-Q152 WeakPolarHBondContact O-CG 3.31Å; K148-Q152 PolarHBondContact O-N 3.41Å; D149-Q152 PolarHBondContact O-N 3.33Å; I150-Q152 VanDerWaalsContact C-N 3.28Å; I150-Q152 PolarHBondContact O-N 2.96Å
153Q89.1Confident86.5Confident108 Ų10849.9 Ų49.951%0.50525%0.251SS..Hα-helixtrans-91.9-34.8-175.7-66.1176.21400113.4D149 I150 P155 M156 Q157D149-Q153 WeakPolarHBondContact O-CG 3.48Å; D149-Q153 PolarHBondContact O-N 3Å; I150-Q153 PolarHBondContact O-N 2.9Å; I150-Q153 VanDerWaalsContact O-N 3.1Å; Q153-P155 VanDerWaalsContact C-CD 3.5Å; Q153-M156 PolarHBondContact O-N 3.41Å; Q153-M156 VanDerWaalsContact O-N 3.1Å; Q153-Q157 WeakPolarHBondContact O-CG 3.35Å; Q153-Q157 PolarHBondContact O-N 3.3Å
154L90Very high85Confident6 Ų652 Ų523%0.03127%0.268CS..Hα-helixtrans-49.7-47.7-175.3-83.4166.5000114.9I150 Y151 M156 Q157 F158 F161 L213 A216 V248 L273I150-L154 HydrophobicContact CG2-CD1 3.45Å; I150-L154 VanDerWaalsContact CG2-CD1 3.45Å; I150-L154 HydrophobicContact CG2-CG 3.87Å; I150-L154 VanDerWaalsContact O-CG 3.27Å; I150-L154 WeakPolarHBondContact O-CG 3.32Å; I150-L154 PolarHBondContact O-N 3.29Å; Y151-L154 HydrophobicContact CD2-CD1 4.4Å; L154-M156 PolarHBondContact O-N 3.02Å; L154-Q157 PolarHBondContact O-N 3.31Å; L154-F158 HydrophobicContact CB-CE1 4.13Å; L154-F158 HydrophobicContact CD2-CE1 4.14Å; L154-F158 WeakPolarHBondContact O-CD1 3.31Å; L154-F158 PolarHBondContact O-N 3.17Å; L154-F161 HydrophobicContact CD2-CE2 3.96Å; L154-F161 HydrophobicContact CD2-CZ 4.31Å; L154-L213 HydrophobicContact CD2-CD2 3.66Å; L154-A216 HydrophobicContact CD1-CB 4.28Å; L154-V248 HydrophobicContact CB-CG2 4.06Å; L154-V248 HydrophobicContact CD1-CG2 4.48Å; L154-L273 HydrophobicContact CD1-CD2 3.79Å; L154-L273 HydrophobicContact CD2-CD2 4.24Å
155P84.2Confident83.4Confident19 Ų1952.1 Ų52.112%0.12327%0.269CS..Hα-helixtrans-56-36.2-179.5-2836.6000113.9Y151 Q153 Q157 K247 V248Y151-P155 VanDerWaalsContact O-CD 3.31Å; Y151-P155 WeakPolarHBondContact O-CD 3.41Å; Q153-P155 VanDerWaalsContact C-CD 3.5Å; P155-Q157 VanDerWaalsContact C-N 3.3Å; P155-K247 HydrophobicContact CB-CB 4.36Å; P155-K247 HydrophobicContact CG-CB 3.71Å; P155-V248 HydrophobicContact CG-CG2 3.84Å
156M83.8Confident81.6Confident147 Ų14750.9 Ų50.972%0.72427%0.265SS*.Hα-helixtrans-76.3-21-179.7-62.8-60.6-63.300112.4Q153 L154Q153-M156 PolarHBondContact O-N 3.41Å; Q153-M156 VanDerWaalsContact O-N 3.1Å; L154-M156 PolarHBondContact O-N 3.02Å
157Q83.6Confident80.1Confident53 Ų5352.8 Ų52.825%0.24828%0.279CS..Hα-helixtrans-94.3-19.2-174.6-64.4174-1700113Q153 L154 P155 Q160 F161Q153-Q157 WeakPolarHBondContact O-CG 3.35Å; Q153-Q157 PolarHBondContact O-N 3.3Å; L154-Q157 PolarHBondContact O-N 3.31Å; P155-Q157 VanDerWaalsContact C-N 3.3Å; Q157-Q160 WeakPolarHBondContact O-CA 3.32Å; Q157-Q160 WeakPolarHBondContact O-CB 3.3Å; Q157-Q160 PolarHBondContact O-N 2.94Å; Q157-F161 HydrophobicContact CB-CD1 4.26Å; Q157-F161 HydrophobicContact CB-CD2 4.48Å; Q157-F161 HydrophobicContact CB-CE1 3.53Å; Q157-F161 HydrophobicContact CB-CE2 3.79Å; Q157-F161 HydrophobicContact CB-CZ 3.29Å; Q157-F161 HydrophobicContact CG-CE1 4.42Å; Q157-F161 HydrophobicContact CG-CZ 4.24Å; Q157-F161 WeakPolarHBondContact O-CD1 3.46Å; Q157-F161 VanDerWaalsContact O-CG 3.31Å; Q157-F161 WeakPolarHBondContact O-CG 3.26Å; Q157-F161 PolarHBondContact O-N 2.87Å
158F82.4Confident78.4Confident4 Ų457.1 Ų57.12%0.01831%0.306CS..Hα-helixtrans-51.4-44.6179.7-70.8-6.3000114.6L154 Q160 F161 M162 L213 V248 I270 L273L154-F158 HydrophobicContact CB-CE1 4.13Å; L154-F158 HydrophobicContact CD2-CE1 4.14Å; L154-F158 WeakPolarHBondContact O-CD1 3.31Å; L154-F158 PolarHBondContact O-N 3.17Å; F158-Q160 PolarHBondContact O-N 3.47Å; F158-F161 AromaticContact CD1-CD2 3.76Å; F158-F161 HydrophobicContact CD1-CD2 3.76Å; F158-F161 AromaticContact CD1-CE2 3.84Å; F158-F161 HydrophobicContact CD1-CE2 3.84Å; F158-F161 HydrophobicContact CE1-CD2 4.46Å; F158-F161 HydrophobicContact CE1-CE2 4.27Å; F158-F161 PolarHBondContact O-N 2.98Å; F158-M162 PolarHBondContact O-N 3.11Å; F158-L213 HydrophobicContact CE1-CD2 4.21Å; F158-V248 HydrophobicContact CZ-CG1 4.1Å; F158-I270 HydrophobicContact CB-CD1 4.48Å; F158-I270 HydrophobicContact CD1-CD1 4.34Å; F158-I270 HydrophobicContact CD1-CG1 4.38Å; F158-I270 HydrophobicContact CD2-CG2 4.25Å; F158-I270 HydrophobicContact CE1-CG1 4.41Å; F158-I270 HydrophobicContact CE1-CG2 4.43Å; F158-I270 HydrophobicContact CE2-CG2 3.92Å; F158-I270 HydrophobicContact CG-CD1 4.33Å; F158-I270 HydrophobicContact CZ-CG2 4.01Å; F158-L273 HydrophobicContact CE1-CD2 4.32Å; F158-L273 HydrophobicContact CZ-CD2 4.22Å
159P75.9Confident77.2Confident77 Ų7756.9 Ų56.950%0.531%0.309SS..Hα-helixtrans-63.4-30.8176.4-22.434.7000113.3
160Q74.4Confident75.7Confident129 Ų12959 Ų5960%0.60332%0.316SS*.Hα-helixtrans-75.8-37.1178.5-59.5176.55.700111.1Q157 F158 M162 K163 A164Q157-Q160 WeakPolarHBondContact O-CA 3.32Å; Q157-Q160 WeakPolarHBondContact O-CB 3.3Å; Q157-Q160 PolarHBondContact O-N 2.94Å; F158-Q160 PolarHBondContact O-N 3.47Å; Q160-M162 VanDerWaalsContact C-N 3.28Å; Q160-M162 PolarHBondContact O-N 3.22Å; Q160-K163 PolarHBondContact O-N 3.42Å; Q160-K163 VanDerWaalsContact O-N 3.09Å; Q160-A164 PolarHBondContact O-N 3.5Å
161F74.4Confident74.2Confident7 Ų759 Ų593%0.03132%0.317CS..Hα-helixtrans-59.2-41.4175.5-61.4-16.1000111.5L154 Q157 F158 K163 A164 A165 V190 F191 L213L154-F161 HydrophobicContact CD2-CE2 3.96Å; L154-F161 HydrophobicContact CD2-CZ 4.31Å; Q157-F161 HydrophobicContact CB-CD1 4.26Å; Q157-F161 HydrophobicContact CB-CD2 4.48Å; Q157-F161 HydrophobicContact CB-CE1 3.53Å; Q157-F161 HydrophobicContact CB-CE2 3.79Å; Q157-F161 HydrophobicContact CB-CZ 3.29Å; Q157-F161 HydrophobicContact CG-CE1 4.42Å; Q157-F161 HydrophobicContact CG-CZ 4.24Å; Q157-F161 WeakPolarHBondContact O-CD1 3.46Å; Q157-F161 VanDerWaalsContact O-CG 3.31Å; Q157-F161 WeakPolarHBondContact O-CG 3.26Å; Q157-F161 PolarHBondContact O-N 2.87Å; F158-F161 AromaticContact CD1-CD2 3.76Å; F158-F161 HydrophobicContact CD1-CD2 3.76Å; F158-F161 AromaticContact CD1-CE2 3.84Å; F158-F161 HydrophobicContact CD1-CE2 3.84Å; F158-F161 HydrophobicContact CE1-CD2 4.46Å; F158-F161 HydrophobicContact CE1-CE2 4.27Å; F158-F161 PolarHBondContact O-N 2.98Å; F161-K163 VanDerWaalsContact C-N 3.28Å; F161-K163 PolarHBondContact O-N 3.46Å; F161-A164 PolarHBondContact O-N 2.88Å; F161-A165 PolarHBondContact O-N 3.41Å; F161-A165 VanDerWaalsContact O-N 3.1Å; F161-V190 HydrophobicContact CD1-CB 3.95Å; F161-V190 HydrophobicContact CD1-CG1 3.73Å; F161-V190 HydrophobicContact CD1-CG2 3.46Å; F161-V190 VanDerWaalsContact CD1-CG2 3.46Å; F161-V190 HydrophobicContact CD2-CG1 4.25Å; F161-V190 HydrophobicContact CE1-CB 3.98Å; F161-V190 HydrophobicContact CE1-CG1 3.73Å; F161-V190 HydrophobicContact CE1-CG2 3.14Å; F161-V190 HydrophobicContact CE2-CG1 4.26Å; F161-V190 HydrophobicContact CG-CG1 3.99Å; F161-V190 HydrophobicContact CZ-CG1 3.97Å; F161-V190 HydrophobicContact CZ-CG2 3.99Å; F161-F191 HydrophobicContact CB-CE2 3.79Å; F161-F191 HydrophobicContact CB-CZ 4.06Å; F161-F191 WeakPolarHBondContact O-CE2 3.5Å; F161-L213 HydrophobicContact CD2-CD1 4.12Å; F161-L213 HydrophobicContact CD2-CD2 4.09Å; F161-L213 HydrophobicContact CD2-CG 4.31Å; F161-L213 HydrophobicContact CE2-CD2 3.71Å; F161-L213 HydrophobicContact CE2-CG 4.23Å
162M69.4Low72.6Confident9 Ų966.5 Ų66.54%0.04435%0.352CS..Hα-helixtrans-61.3-34.7175.2-66.4-55.8-59.400113F158 Q160 A253 N263 A266 I267 I270F158-M162 PolarHBondContact O-N 3.11Å; Q160-M162 VanDerWaalsContact C-N 3.28Å; Q160-M162 PolarHBondContact O-N 3.22Å; M162-A253 HydrophobicContact CG-CB 4.25Å; M162-A253 HydrophobicContact SD-CB 4.09Å; M162-N263 HydrophobicContact CE-CB 3.69Å; M162-N263 PolarHBondContact O-OD1 2.76Å; M162-N263 VanDerWaalsContact O-OD1 3.12Å; M162-A266 HydrophobicContact SD-CB 4.03Å; M162-I267 HydrophobicContact CE-CD1 3.6Å; M162-I267 HydrophobicContact CE-CG1 3.7Å; M162-I267 HydrophobicContact SD-CD1 4.2Å; M162-I267 HydrophobicContact SD-CG1 3.63Å; M162-I270 HydrophobicContact SD-CD1 4.36Å
163K67.1Low71.1Confident158 Ų15863.9 Ų63.969%0.68736%0.355SS*.Hα-helixtrans-78.5-34.5178-67.8-177.4178.8-174.30113.4Q160 F161Q160-K163 PolarHBondContact O-N 3.42Å; Q160-K163 VanDerWaalsContact O-N 3.09Å; F161-K163 VanDerWaalsContact C-N 3.28Å; F161-K163 PolarHBondContact O-N 3.46Å
164A64.2Low69.9Low44 Ų4466.8 Ų66.836%0.36437%0.374SS..Hα-helixtrans-76.9-25.5-177.800000112.5Q160 F161 G166 S167Q160-A164 PolarHBondContact O-N 3.5Å; F161-A164 PolarHBondContact O-N 2.88Å; A164-G166 PolarHBondContact O-N 2.64Å; A164-S167 PolarHBondContact O-N 2.88Å; A164-S167 PolarHBondContact O-OG 3.32Å
165A61.2Low68.7Low5 Ų570.7 Ų70.74%0.04139%0.394CS..THydrogen-bonded Turntrans-55114.4179.500000110.3F161 F191 Q262 A266F161-A165 PolarHBondContact O-N 3.41Å; F161-A165 VanDerWaalsContact O-N 3.1Å; A165-F191 HydrophobicContact CB-CD2 4.42Å; A165-F191 HydrophobicContact CB-CE2 4.4Å; A165-Q262 HydrophobicContact CB-CB 4.29Å; A165-A266 HydrophobicContact CB-CB 3.93Å
166G58.6Low68.3Low27 Ų2774.2 Ų74.228%0.27841%0.412SS..THydrogen-bonded Turntrans96.21172.400000118.6A164 V168 Q262A164-G166 PolarHBondContact O-N 2.64Å; G166-V168 PolarHBondContact O-N 3.34Å; G166-Q262 PolarHBondContact O-NE2 3.4Å
167S62.4Low67.8Low62 Ų6268.8 Ų68.843%0.43438%0.384SS..  trans-54.4131.9171.1-610000109.4A164 I193A164-S167 PolarHBondContact O-N 2.88Å; A164-S167 PolarHBondContact O-OG 3.32Å; S167-I193 WeakPolarHBondContact O-CD1 3.2Å; S167-I193 WeakPolarHBondContact O-CG1 3.33Å
168V61.5Low67.5Low91 Ų9169.5 Ų69.555%0.55239%0.388SS*.  trans-104.6116.1166.5176.10000106.1G166G166-V168 PolarHBondContact O-N 3.34Å
169C67.9Low67.4Low37 Ų3773.5 Ų73.525%0.2541%0.409CS..EExtended strand (participates in β ladder)trans-82.6125.8174.8-69.20000109.2I193 V195 H196C169-I193 HydrophobicContact CB-CD1 4.38Å; C169-I193 VanDerWaalsContact SG-CD1 3.54Å; C169-V195 HydrophobicContact CB-CG2 4.36Å; C169-H196 PolarHBondContact O-N 2.88Å
170Q63.5Low67.6Low123 Ų12370.9 Ų70.958%0.57539%0.39SS*.EExtended strand (participates in β ladder)trans-98.2131.2166.3-63.1-174.113.200108.4E172Q170-E172 PolarHBondContact O-N 3.35Å
171T60.9Low67.9Low20 Ų2065 Ų6512%0.12336%0.363CS..  trans-82.2115.4172.7590000109.1F180 V195 K197T171-F180 HydrophobicContact CG2-CD1 3.79Å; T171-F180 HydrophobicContact CG2-CE1 3.49Å; T171-F180 VanDerWaalsContact CG2-CE1 3.49Å; T171-F180 HydrophobicContact CG2-CE2 4.36Å; T171-F180 HydrophobicContact CG2-CG 4.36Å; T171-F180 HydrophobicContact CG2-CZ 3.8Å; T171-V195 HydrophobicContact CG2-CG1 3.87Å; T171-K197 WeakPolarHBondContact OG1-CG 3.48Å
172E58.9Low68.1Low160 Ų16067.2 Ų67.275%0.74838%0.375SS*.  trans-94.6116.8168.8-65.2-172.6165.500109.2Q170Q170-E172 PolarHBondContact O-N 3.35Å
173G60.8Low68.6Low56 Ų5673 Ų7358%0.57741%0.405SS*.SBendtrans98.5176.8174.500000115.9I175G173-I175 PolarHBondContact O-N 2.84Å
174D63Low69Low168 Ų16870.1 Ų70.190%0.89840%0.401SS*.SBendtrans-92.641.2-174-134.96000111.6
175I65.2Low69.7Low89 Ų8968.6 Ų68.646%0.45639%0.387SS..  trans-71.5142.7177.8-52173.9000108.6G173 E177 F180G173-I175 PolarHBondContact O-N 2.84Å; I175-E177 PolarHBondContact O-N 2.82Å; I175-F180 HydrophobicContact CD1-CD2 4.42Å; I175-F180 HydrophobicContact CG2-CB 4.09Å
176D74.5Confident70.7Confident93 Ų9368.4 Ų68.450%0.49739%0.385SS..  trans-52.5129.2168.9-177.5-85.4000110E178 D179 F180D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 3.32Å; D176-E178 WeakPolarHBondContact OD1-CA 3.46Å; D176-E178 WeakPolarHBondContact OD1-CB 3.31Å; D176-E178 PolarHBondContact OD1-N 3.15Å; D176-D179 HydrophobicContact CB-CB 4.11Å; D176-D179 PolarHBondContact O-N 3.04Å; D176-D179 PolarHBondContact OD1-N 3.29Å; D176-F180 WeakPolarHBondContact O-CB 3.33Å; D176-F180 PolarHBondContact O-N 3.21Å
177E74.9Confident71.6Confident32 Ų3271 Ų7115%0.1540%0.398CS..Hα-helixtrans-64.1-36.7-171.4-167.1175.6135.900111.2Y73 I175 I181 K200Y73-E177 VanDerWaalsContact OH-CD 3.26Å; Y73-E177 WeakPolarHBondContact OH-CG 3.36Å; Y73-E177 PolarHBondContact OH-OE1 3.49Å; I175-E177 PolarHBondContact O-N 2.82Å; E177-I181 HydrophobicContact CG-CD1 4.15Å; E177-I181 WeakPolarHBondContact O-CB 3.12Å; E177-I181 VanDerWaalsContact O-CD1 3.25Å; E177-I181 WeakPolarHBondContact O-CD1 3.44Å; E177-I181 WeakPolarHBondContact O-CG1 3.45Å; E177-I181 PolarHBondContact O-N 3.15Å; E177-I181 VanDerWaalsContact O-N 3.11Å; E177-K200 IonicContact OE2-NZ 2.8Å; E177-K200 PolarHBondContact OE2-NZ 3.45Å
178E77Confident72.1Confident69 Ų6970.9 Ų70.932%0.32241%0.406SS..Hα-helixtrans-75.6-39.2-179.1-173.5162.6-164.100111.4R75 D176 I181 N182R75-E178 IonicContact CZ-OE1 2.86Å; R75-E178 VanDerWaalsContact CZ-OE1 3.25Å; R75-E178 IonicContact CZ-OE2 2.72Å; R75-E178 IonicContact NH1-OE1 3.77Å; R75-E178 PolarHBondContact NH1-OE1 3.19Å; R75-E178 IonicContact NH1-OE2 3.68Å; R75-E178 IonicContact NH2-OE1 2.73Å; R75-E178 PolarHBondContact NH2-OE1 2.96Å; R75-E178 IonicContact NH2-OE2 3.73Å; R75-E178 PolarHBondContact NH2-OE2 3.42Å; D176-E178 VanDerWaalsContact C-N 3.27Å; D176-E178 PolarHBondContact O-N 3.32Å; D176-E178 WeakPolarHBondContact OD1-CA 3.46Å; D176-E178 WeakPolarHBondContact OD1-CB 3.31Å; D176-E178 PolarHBondContact OD1-N 3.15Å; E178-I181 PolarHBondContact O-N 3.27Å; E178-N182 VanDerWaalsContact CG-ND2 3.31Å; E178-N182 WeakPolarHBondContact CG-ND2 3.19Å; E178-N182 VanDerWaalsContact O-CB 3.28Å; E178-N182 WeakPolarHBondContact O-CB 3.46Å; E178-N182 PolarHBondContact O-N 3.07Å; E178-N182 PolarHBondContact O-ND2 3.05Å
179D80Confident73Confident87 Ų8767.3 Ų67.347%0.46538%0.384SS..Hα-helixtrans-64.7-44173.5-75.6-20.2000111.9D176 I181 N182 L183D176-D179 HydrophobicContact CB-CB 4.11Å; D176-D179 PolarHBondContact O-N 3.04Å; D176-D179 PolarHBondContact OD1-N 3.29Å; D179-I181 VanDerWaalsContact C-N 3.32Å; D179-I181 PolarHBondContact O-N 3.01Å; D179-N182 PolarHBondContact O-N 3.25Å; D179-L183 HydrophobicContact CB-CD1 4.47Å; D179-L183 VanDerWaalsContact O-CB 3.31Å; D179-L183 WeakPolarHBondContact O-CB 3.34Å; D179-L183 WeakPolarHBondContact O-CG 3.36Å; D179-L183 PolarHBondContact O-N 3.3Å
180F80Confident73.6Confident23 Ų2366.2 Ų66.210%0.10138%0.376CS..Iπ-helixtrans-58.1-45.3175.4176.1-97.3000111.4T171 I175 D176 T184 V185 V195T171-F180 HydrophobicContact CG2-CD1 3.79Å; T171-F180 HydrophobicContact CG2-CE1 3.49Å; T171-F180 VanDerWaalsContact CG2-CE1 3.49Å; T171-F180 HydrophobicContact CG2-CE2 4.36Å; T171-F180 HydrophobicContact CG2-CG 4.36Å; T171-F180 HydrophobicContact CG2-CZ 3.8Å; I175-F180 HydrophobicContact CD1-CD2 4.42Å; I175-F180 HydrophobicContact CG2-CB 4.09Å; D176-F180 WeakPolarHBondContact O-CB 3.33Å; D176-F180 PolarHBondContact O-N 3.21Å; F180-T184 HydrophobicContact CD2-CG2 4.5Å; F180-T184 HydrophobicContact CE2-CG2 4.03Å; F180-T184 WeakPolarHBondContact O-CA 3.46Å; F180-T184 WeakPolarHBondContact O-CB 3.36Å; F180-T184 PolarHBondContact O-N 3.35Å; F180-T184 PolarHBondContact O-OG1 2.94Å; F180-V185 HydrophobicContact CD1-CG2 3.93Å; F180-V185 HydrophobicContact CE1-CG2 3.43Å; F180-V185 VanDerWaalsContact CE1-CG2 3.43Å; F180-V185 HydrophobicContact CZ-CG2 3.97Å; F180-V185 PolarHBondContact O-N 3.47Å; F180-V195 HydrophobicContact CE1-CG1 4.38Å
181I80.1Confident74.6Confident5 Ų561.3 Ų61.33%0.02635%0.353CS..Iπ-helixtrans-66.2-45.9179.1-69.3163.9000110.9V70 E177 E178 D179 V185 L186 Y203 V205V70-I181 HydrophobicContact CG2-CD1 3.45Å; V70-I181 VanDerWaalsContact CG2-CD1 3.45Å; E177-I181 HydrophobicContact CG-CD1 4.15Å; E177-I181 WeakPolarHBondContact O-CB 3.12Å; E177-I181 VanDerWaalsContact O-CD1 3.25Å; E177-I181 WeakPolarHBondContact O-CD1 3.44Å; E177-I181 WeakPolarHBondContact O-CG1 3.45Å; E177-I181 PolarHBondContact O-N 3.15Å; E177-I181 VanDerWaalsContact O-N 3.11Å; E178-I181 PolarHBondContact O-N 3.27Å; D179-I181 VanDerWaalsContact C-N 3.32Å; D179-I181 PolarHBondContact O-N 3.01Å; I181-V185 PolarHBondContact O-N 2.81Å; I181-L186 HydrophobicContact CG2-CD1 3.61Å; I181-L186 HydrophobicContact CG2-CG 4.01Å; I181-L186 WeakPolarHBondContact O-CB 3.4Å; I181-L186 WeakPolarHBondContact O-CG 3.43Å; I181-L186 PolarHBondContact O-N 3.42Å; I181-Y203 HydrophobicContact CD1-CE2 3.89Å; I181-Y203 HydrophobicContact CG1-CE2 4.42Å; I181-V205 HydrophobicContact CD1-CG2 4.4Å; I181-V205 HydrophobicContact CG1-CG2 4.32Å; I181-V205 HydrophobicContact CG2-CG1 3.91Å
182N79.3Confident75.7Confident54 Ų5463.5 Ų63.529%0.28936%0.364SS..Iπ-helixtrans-72.6-38.2-174.8-76.4-43.8000114.3E178 D179 L186E178-N182 VanDerWaalsContact CG-ND2 3.31Å; E178-N182 WeakPolarHBondContact CG-ND2 3.19Å; E178-N182 VanDerWaalsContact O-CB 3.28Å; E178-N182 WeakPolarHBondContact O-CB 3.46Å; E178-N182 PolarHBondContact O-N 3.07Å; E178-N182 PolarHBondContact O-ND2 3.05Å; D179-N182 PolarHBondContact O-N 3.25Å; N182-L186 VanDerWaalsContact OD1-CD1 3.29Å; N182-L186 WeakPolarHBondContact OD1-CD1 3.36Å
183L79.6Confident76.7Confident130 Ų13056.7 Ų56.768%0.68133%0.332SS*.Iπ-helixtrans-95-34.8-174.5-61.1175.2000112.8D179 P187D179-L183 HydrophobicContact CB-CD1 4.47Å; D179-L183 VanDerWaalsContact O-CB 3.31Å; D179-L183 WeakPolarHBondContact O-CB 3.34Å; D179-L183 WeakPolarHBondContact O-CG 3.36Å; D179-L183 PolarHBondContact O-N 3.3Å; L183-P187 WeakPolarHBondContact O-CG 3.39Å
184T75.4Confident77.6Confident97 Ų9761.3 Ų61.360%0.59533%0.332SS*.Iπ-helixtrans-101.1-47.2-173.6-480000112.2F180F180-T184 HydrophobicContact CD2-CG2 4.5Å; F180-T184 HydrophobicContact CE2-CG2 4.03Å; F180-T184 WeakPolarHBondContact O-CA 3.46Å; F180-T184 WeakPolarHBondContact O-CB 3.36Å; F180-T184 PolarHBondContact O-N 3.35Å; F180-T184 PolarHBondContact O-OG1 2.94Å
185V79.1Confident78.3Confident13 Ų1353.3 Ų53.38%0.07929%0.289CS..Iπ-helixtrans-86.4-52.3-170.8-174.40000111.8F180 I181 L189 I193 V205F180-V185 HydrophobicContact CD1-CG2 3.93Å; F180-V185 HydrophobicContact CE1-CG2 3.43Å; F180-V185 VanDerWaalsContact CE1-CG2 3.43Å; F180-V185 HydrophobicContact CZ-CG2 3.97Å; F180-V185 PolarHBondContact O-N 3.47Å; I181-V185 PolarHBondContact O-N 2.81Å; V185-L189 HydrophobicContact CG1-CD1 4.4Å; V185-L189 HydrophobicContact CG1-CD2 4.19Å; V185-L189 WeakPolarHBondContact O-CB 3.38Å; V185-I193 HydrophobicContact CG1-CG2 3.91Å; V185-V205 HydrophobicContact CG1-CG1 4.32Å
186L81.2Confident78.6Confident0 Ų053.1 Ų53.10%029%0.286CS..G310 helixtrans-66.9-36.2-168.6-83.6164.3000117.5F69 I181 N182 G188 L189 K208F69-L186 HydrophobicContact CB-CD1 4.15Å; F69-L186 HydrophobicContact CB-CD2 4.17Å; F69-L186 HydrophobicContact CD1-CD1 4.23Å; F69-L186 HydrophobicContact CD1-CD2 3.62Å; F69-L186 HydrophobicContact CD2-CD1 3.45Å; F69-L186 VanDerWaalsContact CD2-CD1 3.45Å; F69-L186 HydrophobicContact CD2-CD2 4.34Å; F69-L186 HydrophobicContact CE1-CD2 4.09Å; F69-L186 HydrophobicContact CE2-CD1 3.86Å; F69-L186 HydrophobicContact CG-CD1 3.67Å; F69-L186 HydrophobicContact CG-CD2 3.77Å; F69-L186 HydrophobicContact CG-CG 4.36Å; F69-L186 HydrophobicContact CZ-CD1 4.42Å; I181-L186 HydrophobicContact CG2-CD1 3.61Å; I181-L186 HydrophobicContact CG2-CG 4.01Å; I181-L186 WeakPolarHBondContact O-CB 3.4Å; I181-L186 WeakPolarHBondContact O-CG 3.43Å; I181-L186 PolarHBondContact O-N 3.42Å; N182-L186 VanDerWaalsContact OD1-CD1 3.29Å; N182-L186 WeakPolarHBondContact OD1-CD1 3.36Å; L186-G188 PolarHBondContact O-N 3.04Å; L186-L189 PolarHBondContact O-N 2.93Å; L186-L189 VanDerWaalsContact O-N 3.17Å; L186-K208 HydrophobicContact CD2-CG 4.13Å
187P77.8Confident78.4Confident82 Ų8250 Ų5053%0.53227%0.268SS..G310 helixtrans-57.9-26-170.4-29.537.2000115.6L183L183-P187 WeakPolarHBondContact O-CG 3.39Å
188G73.7Confident77.8Confident59 Ų5955.6 Ų55.661%0.60829%0.292SS*.G310 helixtrans-12311.3176.600000114.4L186 V190L186-G188 PolarHBondContact O-N 3.04Å; G188-V190 PolarHBondContact O-N 3.08Å
189L81.3Confident77.1Confident17 Ų1760.5 Ų60.59%0.08932%0.321CS..  trans-76.7122.6-176.2-168.467.7000111.1V185 L186 F191 I193 V205 P207V185-L189 HydrophobicContact CG1-CD1 4.4Å; V185-L189 HydrophobicContact CG1-CD2 4.19Å; V185-L189 WeakPolarHBondContact O-CB 3.38Å; L186-L189 PolarHBondContact O-N 2.93Å; L186-L189 VanDerWaalsContact O-N 3.17Å; L189-F191 WeakPolarHBondContact CD1-O 3.41Å; L189-F191 WeakPolarHBondContact CG-O 3.38Å; L189-I193 HydrophobicContact CD1-CB 3.94Å; L189-I193 HydrophobicContact CD1-CG2 3.64Å; L189-I193 HydrophobicContact CD2-CG2 3.94Å; L189-I193 HydrophobicContact CG-CG2 4.47Å; L189-V205 HydrophobicContact CD2-CB 4.33Å; L189-V205 HydrophobicContact CD2-CG1 3.84Å; L189-P207 HydrophobicContact CB-CB 4.4Å; L189-P207 HydrophobicContact CD2-CB 4.35Å; L189-P207 HydrophobicContact CG-CB 4.11Å; L189-P207 WeakPolarHBondContact O-CB 3.4Å
190V80.1Confident76.5Confident13 Ų1361.9 Ų61.98%0.07932%0.323CS..  trans-115.9-31.8-176.9177.70000111.5F161 G188 P207 L213F161-V190 HydrophobicContact CD1-CB 3.95Å; F161-V190 HydrophobicContact CD1-CG1 3.73Å; F161-V190 HydrophobicContact CD1-CG2 3.46Å; F161-V190 VanDerWaalsContact CD1-CG2 3.46Å; F161-V190 HydrophobicContact CD2-CG1 4.25Å; F161-V190 HydrophobicContact CE1-CB 3.98Å; F161-V190 HydrophobicContact CE1-CG1 3.73Å; F161-V190 HydrophobicContact CE1-CG2 3.14Å; F161-V190 HydrophobicContact CE2-CG1 4.26Å; F161-V190 HydrophobicContact CG-CG1 3.99Å; F161-V190 HydrophobicContact CZ-CG1 3.97Å; F161-V190 HydrophobicContact CZ-CG2 3.99Å; G188-V190 PolarHBondContact O-N 3.08Å; V190-P207 WeakPolarHBondContact O-CG 3.28Å; V190-L213 HydrophobicContact CG1-CG 4.11Å
191F83Confident76Confident20 Ų2069.9 Ų69.99%0.08836%0.357CS..SBendtrans-115.1161.4178-58.7-71.7000110.4F161 A165 L189 I193 L213 A266 Q269F161-F191 HydrophobicContact CB-CE2 3.79Å; F161-F191 HydrophobicContact CB-CZ 4.06Å; F161-F191 WeakPolarHBondContact O-CE2 3.5Å; A165-F191 HydrophobicContact CB-CD2 4.42Å; A165-F191 HydrophobicContact CB-CE2 4.4Å; L189-F191 WeakPolarHBondContact CD1-O 3.41Å; L189-F191 WeakPolarHBondContact CG-O 3.38Å; F191-I193 PolarHBondContact O-N 3.3Å; F191-L213 HydrophobicContact CE1-CD1 3.88Å; F191-L213 HydrophobicContact CZ-CD1 3.82Å; F191-A266 HydrophobicContact CE1-CB 3.98Å; F191-A266 HydrophobicContact CE2-CB 3.89Å; F191-A266 HydrophobicContact CZ-CB 3.41Å; F191-A266 VanDerWaalsContact CZ-CB 3.41Å; F191-Q269 HydrophobicContact CE1-CB 4.34Å; F191-Q269 VanDerWaalsContact CE1-OE1 3.29Å
192D84.1Confident75.9Confident67 Ų6773.1 Ų73.136%0.35838%0.375SS..  trans-67132.3173.9-51.2-10.1000108.9V204 V205 W206 P207 R214D192-V204 HydrophobicContact CB-CG1 4.11Å; D192-V205 WeakPolarHBondContact CA-O 3.39Å; D192-W206 VanDerWaalsContact CG-CD1 3.49Å; D192-P207 VanDerWaalsContact OD1-CD 3.23Å; D192-P207 WeakPolarHBondContact OD1-CD 3.17Å; D192-R214 IonicContact OD1-NH2 2.74Å; D192-R214 PolarHBondContact OD1-NH2 3.24Å; D192-R214 IonicContact OD2-CZ 3.71Å; D192-R214 IonicContact OD2-NH2 2.8Å; D192-R214 PolarHBondContact OD2-NH2 3.12Å
193I80.6Confident75.9Confident16 Ų1671 Ų718%0.08236%0.363CS..EExtended strand (participates in β ladder)trans-121.1139.8-178.9-169.9160.6000110.7S167 C169 V185 L189 F191 V195 V204 V205S167-I193 WeakPolarHBondContact O-CD1 3.2Å; S167-I193 WeakPolarHBondContact O-CG1 3.33Å; C169-I193 HydrophobicContact CB-CD1 4.38Å; C169-I193 VanDerWaalsContact SG-CD1 3.54Å; V185-I193 HydrophobicContact CG1-CG2 3.91Å; L189-I193 HydrophobicContact CD1-CB 3.94Å; L189-I193 HydrophobicContact CD1-CG2 3.64Å; L189-I193 HydrophobicContact CD2-CG2 3.94Å; L189-I193 HydrophobicContact CG-CG2 4.47Å; F191-I193 PolarHBondContact O-N 3.3Å; I193-V195 HydrophobicContact CG2-CG2 4.31Å; I193-V204 WeakPolarHBondContact O-CA 3.29Å; I193-V205 HydrophobicContact CG2-CB 3.86Å; I193-V205 PolarHBondContact N-O 3.27Å; I193-V205 PolarHBondContact O-N 3.36Å
194R79.8Confident76.3Confident154 Ų15467 Ų6758%0.58134%0.343SS*.EExtended strand (participates in β ladder)trans-91125.5170.3-168.6179.3-64.41762.8108.9D202 Y203R194-D202 HydrophobicContact CG-CB 4.21Å; R194-Y203 WeakPolarHBondContact CA-O 3.36Å
195V78.2Confident76.9Confident0 Ų062.3 Ų62.30%032%0.315CS..EExtended strand (participates in β ladder)trans-105.6123.8177.1-176.70000108.3C169 T171 F180 I193 Y203 V205C169-V195 HydrophobicContact CB-CG2 4.36Å; T171-V195 HydrophobicContact CG2-CG1 3.87Å; F180-V195 HydrophobicContact CE1-CG1 4.38Å; I193-V195 HydrophobicContact CG2-CG2 4.31Å; V195-Y203 HydrophobicContact CB-CD2 4.13Å; V195-Y203 HydrophobicContact CB-CE1 4.26Å; V195-Y203 HydrophobicContact CB-CE2 3.62Å; V195-Y203 HydrophobicContact CG1-CE1 4.21Å; V195-Y203 HydrophobicContact CG1-CE2 4.07Å; V195-Y203 WeakPolarHBondContact CG1-OH 3.4Å; V195-Y203 HydrophobicContact CG2-CE2 3.96Å; V195-Y203 PolarHBondContact N-O 3.45Å; V195-Y203 PolarHBondContact O-N 3.22Å; V195-V205 HydrophobicContact CG2-CG2 3.71Å
196H72Confident77.4Confident84 Ų8463.8 Ų63.839%0.38932%0.319SS..EExtended strand (participates in β ladder)trans-100.9121.5177.1-170.674.4000109.1C169 D202C169-H196 PolarHBondContact O-N 2.88Å; H196-D202 IonicContact CE1-OD1 2.64Å; H196-D202 PolarHBondContact CE1-OD1 3.21Å; H196-D202 IonicContact CG-OD1 3.68Å; H196-D202 IonicContact ND1-OD1 3.65Å; H196-D202 PolarHBondContact ND1-OD1 3.01Å; H196-D202 IonicContact ND1-OD2 3.4Å
197K68.7Low77.9Confident27 Ų2763.8 Ų63.812%0.11732%0.319CS..  trans-112.7125176.8179.6158.9180165.80109.3T171 N199 K200T171-K197 WeakPolarHBondContact OG1-CG 3.48Å; K197-N199 PolarHBondContact O-N 3.41Å; K197-K200 HydrophobicContact CB-CB 4.29Å; K197-K200 HydrophobicContact CD-CD 4.2Å; K197-K200 HydrophobicContact CD-CG 4.46Å; K197-K200 HydrophobicContact CG-CB 4.33Å; K197-K200 PolarHBondContact O-N 2.97Å; K197-K200 VanDerWaalsContact O-N 3.1Å
198K63Low78.5Confident151 Ų15162.2 Ų62.266%0.65730%0.304SS*.THydrogen-bonded Turntrans-54.7115.6173.1-65.3179.8179.3173.90107.6
199N61.9Low79.4Confident172 Ų17259.4 Ų59.492%0.9228%0.275SS*.THydrogen-bonded Turntrans85.75.4179.7-46.2-25000118.4K197K197-N199 PolarHBondContact O-N 3.41Å
200K67.1Low79.8Confident116 Ų11664.5 Ų64.550%0.50429%0.293SS..SBendtrans-124.8167.5169.9-72.8-164.6-173.2-179.20111.3E177 K197E177-K200 IonicContact OE2-NZ 2.8Å; E177-K200 PolarHBondContact OE2-NZ 3.45Å; K197-K200 HydrophobicContact CB-CB 4.29Å; K197-K200 HydrophobicContact CD-CD 4.2Å; K197-K200 HydrophobicContact CD-CG 4.46Å; K197-K200 HydrophobicContact CG-CB 4.33Å; K197-K200 PolarHBondContact O-N 2.97Å; K197-K200 VanDerWaalsContact O-N 3.1Å
201K71Confident80.2Confident190 Ų19066 Ų6683%0.82630%0.3SS*.  trans-66141.7170.5-68.3-177.2177.9179.60110
202D77.1Confident80.6Confident74 Ų7465.1 Ų65.140%0.39630%0.297SS..  trans-54.7140.5169.5-68.65000110.8R194 H196R194-D202 HydrophobicContact CG-CB 4.21Å; H196-D202 IonicContact CE1-OD1 2.64Å; H196-D202 PolarHBondContact CE1-OD1 3.21Å; H196-D202 IonicContact CG-OD1 3.68Å; H196-D202 IonicContact ND1-OD1 3.65Å; H196-D202 PolarHBondContact ND1-OD1 3.01Å; H196-D202 IonicContact ND1-OD2 3.4Å
203Y80.1Confident80.9Confident9 Ų962 Ų624%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-133156.6174.761.5-94.3000111.3V70 I181 R194 V195 V205V70-Y203 HydrophobicContact CG1-CD2 3.54Å; V70-Y203 HydrophobicContact CG1-CE2 4.44Å; V70-Y203 HydrophobicContact CG1-CG 3.87Å; V70-Y203 HydrophobicContact CG2-CD2 4.14Å; V70-Y203 HydrophobicContact CG2-CE2 4.3Å; I181-Y203 HydrophobicContact CD1-CE2 3.89Å; I181-Y203 HydrophobicContact CG1-CE2 4.42Å; R194-Y203 WeakPolarHBondContact CA-O 3.36Å; V195-Y203 HydrophobicContact CB-CD2 4.13Å; V195-Y203 HydrophobicContact CB-CE1 4.26Å; V195-Y203 HydrophobicContact CB-CE2 3.62Å; V195-Y203 HydrophobicContact CG1-CE1 4.21Å; V195-Y203 HydrophobicContact CG1-CE2 4.07Å; V195-Y203 WeakPolarHBondContact CG1-OH 3.4Å; V195-Y203 HydrophobicContact CG2-CE2 3.96Å; V195-Y203 PolarHBondContact N-O 3.45Å; V195-Y203 PolarHBondContact O-N 3.22Å; Y203-V205 HydrophobicContact CD2-CG2 3.78Å; Y203-V205 HydrophobicContact CE2-CG2 3.56Å
204V86.8Confident81.5Confident45 Ų4564.2 Ų64.227%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-106.9124.5180-179.70000108.5V70 S71 D192 I193V70-V204 WeakPolarHBondContact CA-O 3.38Å; S71-V204 PolarHBondContact N-O 2.89Å; S71-V204 VanDerWaalsContact N-O 3.12Å; D192-V204 HydrophobicContact CB-CG1 4.11Å; I193-V204 WeakPolarHBondContact O-CA 3.29Å
205V87.6Confident82.2Confident0 Ų056.9 Ų56.90%026%0.26CS..EExtended strand (participates in β ladder)trans-98.5128.6173.9-175.50000108.5F69 V70 I181 V185 L189 D192 I193 V195 Y203F69-V205 HydrophobicContact CB-CG1 4.22Å; F69-V205 CarbonylContact O-C 3.58Å; F69-V205 WeakPolarHBondContact O-CA 3.23Å; V70-V205 HydrophobicContact CG2-CG2 4.38Å; I181-V205 HydrophobicContact CD1-CG2 4.4Å; I181-V205 HydrophobicContact CG1-CG2 4.32Å; I181-V205 HydrophobicContact CG2-CG1 3.91Å; V185-V205 HydrophobicContact CG1-CG1 4.32Å; L189-V205 HydrophobicContact CD2-CB 4.33Å; L189-V205 HydrophobicContact CD2-CG1 3.84Å; D192-V205 WeakPolarHBondContact CA-O 3.39Å; I193-V205 HydrophobicContact CG2-CB 3.86Å; I193-V205 PolarHBondContact N-O 3.27Å; I193-V205 PolarHBondContact O-N 3.36Å; V195-V205 HydrophobicContact CG2-CG2 3.71Å; Y203-V205 HydrophobicContact CD2-CG2 3.78Å; Y203-V205 HydrophobicContact CE2-CG2 3.56Å
206W90.3Very high83Confident43 Ų4357 Ų5716%0.16326%0.261CS..PPolyproline II helixtrans-95.8143.8176.7-68.4-29.7000112F69 Q76 N114 V115 E116 D192F69-W206 WeakPolarHBondContact CD1-O 3.05Å; F69-W206 PolarHBondContact O-N 3.4Å; Q76-W206 HydrophobicContact CG-CZ3 4.2Å; Q76-W206 VanDerWaalsContact OE1-CZ3 3.31Å; N114-W206 HydrophobicContact CB-CB 4.23Å; N114-W206 HydrophobicContact CB-CE3 4.4Å; V115-W206 HydrophobicContact CG1-CB 4.15Å; V115-W206 HydrophobicContact CG1-CG 4.43Å; E116-W206 HydrophobicContact CB-CE3 4.19Å; E116-W206 HydrophobicContact CB-CH2 4.44Å; E116-W206 HydrophobicContact CB-CZ3 3.9Å; E116-W206 HydrophobicContact CG-CD2 3.95Å; E116-W206 HydrophobicContact CG-CE3 3.68Å; E116-W206 HydrophobicContact CG-CH2 3.74Å; E116-W206 HydrophobicContact CG-CZ2 4.01Å; E116-W206 HydrophobicContact CG-CZ3 3.52Å; D192-W206 VanDerWaalsContact CG-CD1 3.49Å
207P91.3Very high84.2Confident0 Ų053.9 Ų53.90%025%0.248CC..PPolyproline II helixtrans-67.1161.4175.729.4-36.2000111.9N114 V115 L189 V190 D192 A212N114-P207 CarbonylContact C-O 3.58Å; N114-P207 WeakPolarHBondContact CA-O 3.1Å; V115-P207 HydrophobicContact CB-CG 4.18Å; V115-P207 HydrophobicContact CG1-CG 4.07Å; V115-P207 PolarHBondContact N-O 3.39Å; L189-P207 HydrophobicContact CB-CB 4.4Å; L189-P207 HydrophobicContact CD2-CB 4.35Å; L189-P207 HydrophobicContact CG-CB 4.11Å; L189-P207 WeakPolarHBondContact O-CB 3.4Å; V190-P207 WeakPolarHBondContact O-CG 3.28Å; D192-P207 VanDerWaalsContact OD1-CD 3.23Å; D192-P207 WeakPolarHBondContact OD1-CD 3.17Å; P207-A212 HydrophobicContact CB-CB 4.08Å; P207-A212 HydrophobicContact CG-CB 3.66Å
208K91.6Very high85.4Confident50 Ų5053.9 Ų53.922%0.21725%0.248CC..BIsolated β-bridgetrans-64.4137.5166.9-66.2-178.8178.7176.30109.1F69 D113 L186 R210 L211 A212F69-K208 HydrophobicContact CD1-CG 4.46Å; F69-K208 HydrophobicContact CE1-CB 4.42Å; F69-K208 HydrophobicContact CE1-CG 3.59Å; F69-K208 HydrophobicContact CZ-CG 3.96Å; D113-K208 WeakPolarHBondContact O-CA 3.38Å; L186-K208 HydrophobicContact CD2-CG 4.13Å; K208-R210 VanDerWaalsContact C-N 3.27Å; K208-R210 HydrophobicContact CB-CG 4.42Å; K208-R210 PolarHBondContact O-N 3.46Å; K208-L211 HydrophobicContact CB-CD1 4.26Å; K208-L211 HydrophobicContact CB-CG 4.23Å; K208-L211 HydrophobicContact CD-CD1 4.46Å; K208-L211 PolarHBondContact O-N 3.45Å; K208-A212 PolarHBondContact O-N 3.04Å; K208-A212 VanDerWaalsContact O-N 3.1Å
209S92.7Very high87.1Confident0 Ų046.7 Ų46.70%022%0.217CC..THydrogen-bonded Turntrans-56.8-39.7-174.8-164.20000113.2Y110 D113 G118 L211 A212Y110-S209 WeakPolarHBondContact CD2-OG 3.43Å; Y110-S209 WeakPolarHBondContact CE2-OG 3.45Å; Y110-S209 WeakPolarHBondContact O-CB 3.34Å; D113-S209 PolarHBondContact O-N 3.2Å; G118-S209 WeakPolarHBondContact CA-OG 3.26Å; S209-L211 VanDerWaalsContact C-N 3.26Å; S209-L211 PolarHBondContact O-N 2.97Å; S209-A212 PolarHBondContact O-N 3.07Å
210R89.5Confident88.8Confident124 Ų12438.5 Ų38.547%0.46817%0.173SC..THydrogen-bonded Turntrans-64.5-2117672.3172.5-173.2136.74.8115.5K111 K208K111-R210 WeakPolarHBondContact O-CD 3.43Å; K208-R210 VanDerWaalsContact C-N 3.27Å; K208-R210 HydrophobicContact CB-CG 4.42Å; K208-R210 PolarHBondContact O-N 3.46Å
211L88Confident90.2Very high43 Ų4336 Ų3623%0.22516%0.161CC..THydrogen-bonded Turntrans-99.6-19.7-179.5-60.5-178.5000112K208 S209K208-L211 HydrophobicContact CB-CD1 4.26Å; K208-L211 HydrophobicContact CB-CG 4.23Å; K208-L211 HydrophobicContact CD-CD1 4.46Å; K208-L211 PolarHBondContact O-N 3.45Å; S209-L211 VanDerWaalsContact C-N 3.26Å; S209-L211 PolarHBondContact O-N 2.97Å
212A90.8Very high91.4Very high3 Ų327 Ų273%0.02512%0.122CC..SBendtrans-80.9137.2-176.700000112V115 P207 K208 S209 R214 G215 A216V115-A212 HydrophobicContact CB-CB 3.98Å; V115-A212 HydrophobicContact CG2-CB 3.55Å; P207-A212 HydrophobicContact CB-CB 4.08Å; P207-A212 HydrophobicContact CG-CB 3.66Å; K208-A212 PolarHBondContact O-N 3.04Å; K208-A212 VanDerWaalsContact O-N 3.1Å; S209-A212 PolarHBondContact O-N 3.07Å; A212-R214 VanDerWaalsContact C-N 3.26Å; A212-R214 PolarHBondContact O-N 3.33Å; A212-G215 PolarHBondContact O-N 3.05Å; A212-A216 PolarHBondContact O-N 3Å
213L91.8Very high92.3Very high0 Ų023.4 Ų23.40%010%0.103CC..Hα-helixtrans-59.6-36.4174.2-69.4176.5000112.6L154 F158 F161 V190 F191 G215 A216 T217 Q269 I270 L273L154-L213 HydrophobicContact CD2-CD2 3.66Å; F158-L213 HydrophobicContact CE1-CD2 4.21Å; F161-L213 HydrophobicContact CD2-CD1 4.12Å; F161-L213 HydrophobicContact CD2-CD2 4.09Å; F161-L213 HydrophobicContact CD2-CG 4.31Å; F161-L213 HydrophobicContact CE2-CD2 3.71Å; F161-L213 HydrophobicContact CE2-CG 4.23Å; V190-L213 HydrophobicContact CG1-CG 4.11Å; F191-L213 HydrophobicContact CE1-CD1 3.88Å; F191-L213 HydrophobicContact CZ-CD1 3.82Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-G215 PolarHBondContact O-N 3.48Å; L213-A216 PolarHBondContact O-N 3.27Å; L213-T217 WeakPolarHBondContact O-CB 3.3Å; L213-T217 PolarHBondContact O-N 3.34Å; L213-T217 PolarHBondContact O-OG1 3.15Å; L213-Q269 HydrophobicContact CB-CB 4.18Å; L213-Q269 HydrophobicContact CD1-CB 3.96Å; L213-I270 HydrophobicContact CD1-CG1 3.63Å; L213-L273 HydrophobicContact CD2-CD2 3.83Å
214R92.7Very high93.1Very high63 Ų6323.6 Ų23.624%0.23810%0.104CC..Hα-helixtrans-60.3-43.3174.1-63.7-167.9-74.1151.5-3111.2V115 E116 L119 D192 A212 T217 E218 Q269V115-R214 HydrophobicContact CG2-CB 4.03Å; E116-R214 IonicContact OE1-CZ 3.01Å; E116-R214 IonicContact OE1-NH1 3.59Å; E116-R214 PolarHBondContact OE1-NH1 3.28Å; E116-R214 IonicContact OE1-NH2 3.76Å; E116-R214 PolarHBondContact OE1-NH2 2.84Å; L119-R214 HydrophobicContact CD1-CB 4.47Å; L119-R214 HydrophobicContact CD2-CB 4.42Å; L119-R214 WeakPolarHBondContact CD2-O 3.3Å; D192-R214 IonicContact OD1-NH2 2.74Å; D192-R214 PolarHBondContact OD1-NH2 3.24Å; D192-R214 IonicContact OD2-CZ 3.71Å; D192-R214 IonicContact OD2-NH2 2.8Å; D192-R214 PolarHBondContact OD2-NH2 3.12Å; A212-R214 VanDerWaalsContact C-N 3.26Å; A212-R214 PolarHBondContact O-N 3.33Å; R214-T217 PolarHBondContact O-N 3.31Å; R214-E218 PolarHBondContact O-N 2.81Å; R214-E218 VanDerWaalsContact O-N 3.1Å; R214-Q269 HydrophobicContact CG-CG 4.49Å
215G94.1Very high93.4Very high0 Ų022 Ų220%010%0.096CC..Hα-helixtrans-65.9-40.2176.800000112.7A212 L213 L219A212-G215 PolarHBondContact O-N 3.05Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-G215 PolarHBondContact O-N 3.48Å; G215-L219 WeakPolarHBondContact O-CB 3.44Å; G215-L219 PolarHBondContact O-N 3.45Å
216A95.3Very high93.7Very high3 Ų322 Ų223%0.02510%0.096CC..Hα-helixtrans-63.1-41.9173.500000112I150 L154 A212 L213 L219 T220 L273I150-A216 HydrophobicContact CG2-CB 4.05Å; L154-A216 HydrophobicContact CD1-CB 4.28Å; A212-A216 PolarHBondContact O-N 3Å; L213-A216 PolarHBondContact O-N 3.27Å; A216-L219 WeakPolarHBondContact O-CB 3.49Å; A216-L219 PolarHBondContact O-N 2.8Å; A216-T220 PolarHBondContact O-N 3.23Å; A216-T220 PolarHBondContact O-OG1 3.43Å; A216-L273 HydrophobicContact CB-CD1 3.91Å
217T96Very high93.8Very high18 Ų1820 Ų2011%0.119%0.088CC..Hα-helixtrans-61.1-47.7178.3-55.20000111.7L213 R214 L219 T220 Y221 L273L213-T217 WeakPolarHBondContact O-CB 3.3Å; L213-T217 PolarHBondContact O-N 3.34Å; L213-T217 PolarHBondContact O-OG1 3.15Å; R214-T217 PolarHBondContact O-N 3.31Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 3.34Å; T217-T220 WeakPolarHBondContact O-CB 3.46Å; T217-T220 PolarHBondContact O-N 2.81Å; T217-Y221 HydrophobicContact CG2-CD2 4.48Å; T217-Y221 HydrophobicContact CG2-CE2 3.9Å; T217-Y221 VanDerWaalsContact O-CD2 3.28Å; T217-Y221 WeakPolarHBondContact O-CD2 3.45Å; T217-Y221 PolarHBondContact O-N 2.85Å; T217-L273 WeakPolarHBondContact OG1-CA 3.47Å
218E95.8Very high93.9Very high27 Ų2724.3 Ų24.313%0.12611%0.108CC..Hα-helixtrans-67.2-34.5177.2-167.269.8-133.400111.8L119 L122 K123 R126 R214 T220 Y221 T222L119-E218 HydrophobicContact CD2-CB 3.51Å; L119-E218 HydrophobicContact CD2-CG 4.03Å; L122-E218 HydrophobicContact CB-CG 3.81Å; L122-E218 HydrophobicContact CD1-CB 3.91Å; L122-E218 HydrophobicContact CD1-CG 4.04Å; K123-E218 VanDerWaalsContact CE-OE2 3.27Å; K123-E218 WeakPolarHBondContact CE-OE2 3.4Å; K123-E218 HydrophobicContact CG-CG 4.38Å; K123-E218 WeakPolarHBondContact CG-OE1 3.42Å; R126-E218 IonicContact CZ-OE1 3.9Å; R126-E218 IonicContact NH1-OE1 2.66Å; R126-E218 PolarHBondContact NH2-O 3Å; R126-E218 IonicContact NH2-OE1 2.88Å; R126-E218 PolarHBondContact NH2-OE1 3.37Å; R214-E218 PolarHBondContact O-N 2.81Å; R214-E218 VanDerWaalsContact O-N 3.1Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 2.97Å; E218-Y221 PolarHBondContact O-N 3.38Å; E218-T222 PolarHBondContact O-N 3.5Å; E218-T222 PolarHBondContact O-OG1 2.91Å
219L97.4Very high93.8Very high0 Ų026.5 Ų26.50%012%0.12CC..Hα-helixtrans-61.3-43.7174.6178.465000110.1Y110 L122 L143 V146 F147 I150 G215 A216 T217 Y221 T222 I223Y110-L219 HydrophobicContact CE1-CD1 4.22Å; Y110-L219 HydrophobicContact CE1-CD2 4.05Å; Y110-L219 WeakPolarHBondContact OH-CD2 3.31Å; L122-L219 HydrophobicContact CD1-CB 3.94Å; L122-L219 HydrophobicContact CD2-CD1 3.87Å; L143-L219 HydrophobicContact CD2-CD1 4.13Å; V146-L219 HydrophobicContact CG1-CD2 4.38Å; F147-L219 HydrophobicContact CB-CD2 3.9Å; F147-L219 HydrophobicContact CB-CG 4.4Å; F147-L219 HydrophobicContact CD2-CD2 4.12Å; F147-L219 HydrophobicContact CD2-CG 4.13Å; I150-L219 HydrophobicContact CD1-CD2 3.98Å; G215-L219 WeakPolarHBondContact O-CB 3.44Å; G215-L219 PolarHBondContact O-N 3.45Å; A216-L219 WeakPolarHBondContact O-CB 3.49Å; A216-L219 PolarHBondContact O-N 2.8Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 3.34Å; L219-Y221 VanDerWaalsContact C-N 3.34Å; L219-Y221 PolarHBondContact O-N 3.31Å; L219-T222 CarbonylContact O-C 3.54Å; L219-T222 WeakPolarHBondContact O-CA 3.31Å; L219-T222 WeakPolarHBondContact O-CB 3.24Å; L219-T222 PolarHBondContact O-N 2.95Å; L219-I223 HydrophobicContact CD1-CD1 4.4Å; L219-I223 HydrophobicContact CD1-CG1 4.1Å; L219-I223 HydrophobicContact CG-CG1 4.16Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.27Å; L219-I223 PolarHBondContact O-N 3.14Å
220T97.4Very high93.7Very high0 Ų029.1 Ų29.10%013%0.134CC..Hα-helixtrans-57.2-46.1177.8-52.80000112F147 Y151 A216 T217 E218 T222 I223 I224 S276 F280F147-T220 HydrophobicContact CE2-CG2 4.24Å; Y151-T220 WeakPolarHBondContact CE2-OG1 3.41Å; Y151-T220 WeakPolarHBondContact OH-CG2 3.44Å; Y151-T220 PolarHBondContact OH-OG1 3.34Å; A216-T220 PolarHBondContact O-N 3.23Å; A216-T220 PolarHBondContact O-OG1 3.43Å; T217-T220 WeakPolarHBondContact O-CB 3.46Å; T217-T220 PolarHBondContact O-N 2.81Å; E218-T220 VanDerWaalsContact C-N 3.32Å; E218-T220 PolarHBondContact O-N 2.97Å; T220-T222 VanDerWaalsContact C-N 3.31Å; T220-T222 PolarHBondContact O-N 3.35Å; T220-I223 PolarHBondContact O-N 3.1Å; T220-I224 WeakPolarHBondContact O-CG1 3.42Å; T220-I224 PolarHBondContact O-N 2.92Å; T220-S276 WeakPolarHBondContact CB-OG 3.43Å; T220-F280 HydrophobicContact CG2-CB 4.47Å
221Y97.2Very high93.8Very high64 Ų6427 Ų2725%0.25113%0.126SC..Hα-helixtrans-62.9-37.3174.8-68.3-57.6000113T217 E218 L219 I224 A225 Y275 Q279T217-Y221 HydrophobicContact CG2-CD2 4.48Å; T217-Y221 HydrophobicContact CG2-CE2 3.9Å; T217-Y221 VanDerWaalsContact O-CD2 3.28Å; T217-Y221 WeakPolarHBondContact O-CD2 3.45Å; T217-Y221 PolarHBondContact O-N 2.85Å; E218-Y221 PolarHBondContact O-N 3.38Å; L219-Y221 VanDerWaalsContact C-N 3.34Å; L219-Y221 PolarHBondContact O-N 3.31Å; Y221-I224 HydrophobicContact CD1-CD1 4.24Å; Y221-I224 PolarHBondContact O-N 3.14Å; Y221-A225 PolarHBondContact O-N 2.94Å; Y221-A225 VanDerWaalsContact O-N 3.1Å; Y221-Y275 VanDerWaalsContact OH-CD1 3.27Å; Y221-Y275 WeakPolarHBondContact OH-CD1 3.35Å; Y221-Y275 VanDerWaalsContact OH-CE1 3.31Å; Y221-Y275 WeakPolarHBondContact OH-CE1 3.42Å; Y221-Q279 HydrophobicContact CE1-CG 4.42Å
222T96.2Very high93.9Very high0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-67.2-37.7175.3-64.10000111.8L122 F125 R126 I129 E218 L219 T220 A225 V226L122-T222 HydrophobicContact CD2-CG2 4.47Å; L122-T222 PolarHBondContact O-OG1 2.91Å; F125-T222 HydrophobicContact CD1-CG2 3.89Å; R126-T222 PolarHBondContact NE-OG1 3.21Å; R126-T222 PolarHBondContact NH2-OG1 2.9Å; I129-T222 HydrophobicContact CD1-CG2 3.91Å; E218-T222 PolarHBondContact O-N 3.5Å; E218-T222 PolarHBondContact O-OG1 2.91Å; L219-T222 CarbonylContact O-C 3.54Å; L219-T222 WeakPolarHBondContact O-CA 3.31Å; L219-T222 WeakPolarHBondContact O-CB 3.24Å; L219-T222 PolarHBondContact O-N 2.95Å; T220-T222 VanDerWaalsContact C-N 3.31Å; T220-T222 PolarHBondContact O-N 3.35Å; T222-A225 PolarHBondContact O-N 3.49Å; T222-V226 WeakPolarHBondContact O-CG2 3.23Å; T222-V226 PolarHBondContact O-N 3.3Å
223I96.1Very high93.9Very high0 Ų031.4 Ų31.40%015%0.149CC..Hα-helixtrans-68.4-36.8175.4-65.9-67000111.6L143 V144 F147 L219 T220 A225 V226 F227 F280L143-I223 HydrophobicContact CB-CD1 4.35Å; V144-I223 HydrophobicContact CG2-CD1 3.99Å; F147-I223 HydrophobicContact CB-CD1 4.08Å; F147-I223 HydrophobicContact CB-CG1 4Å; F147-I223 HydrophobicContact CD2-CB 4.26Å; F147-I223 HydrophobicContact CD2-CG1 3.7Å; F147-I223 HydrophobicContact CD2-CG2 4.43Å; F147-I223 HydrophobicContact CE2-CB 4.4Å; F147-I223 HydrophobicContact CE2-CG1 4.32Å; F147-I223 HydrophobicContact CE2-CG2 4.43Å; F147-I223 HydrophobicContact CG-CD1 4.41Å; F147-I223 HydrophobicContact CG-CG1 3.91Å; F147-I223 HydrophobicContact CG-CG2 4.45Å; L219-I223 HydrophobicContact CD1-CD1 4.4Å; L219-I223 HydrophobicContact CD1-CG1 4.1Å; L219-I223 HydrophobicContact CG-CG1 4.16Å; L219-I223 VanDerWaalsContact O-CG1 3.27Å; L219-I223 WeakPolarHBondContact O-CG1 3.27Å; L219-I223 PolarHBondContact O-N 3.14Å; T220-I223 PolarHBondContact O-N 3.1Å; I223-A225 VanDerWaalsContact C-N 3.33Å; I223-A225 PolarHBondContact O-N 3.36Å; I223-V226 WeakPolarHBondContact O-CB 3.42Å; I223-V226 PolarHBondContact O-N 3.41Å; I223-F227 HydrophobicContact CG2-CD2 3.63Å; I223-F227 HydrophobicContact CG2-CE2 3.27Å; I223-F227 HydrophobicContact CG2-CZ 4.23Å; I223-F227 VanDerWaalsContact O-CD2 3.28Å; I223-F227 WeakPolarHBondContact O-CD2 3.5Å; I223-F227 PolarHBondContact O-N 2.9Å; I223-F227 VanDerWaalsContact O-N 3.1Å; I223-F280 HydrophobicContact CG2-CE2 4.1Å
224I95.8Very high93.8Very high13 Ų1331.4 Ų31.47%0.06715%0.149CC..Hα-helixtrans-56.4-50.6169.7-67.2168.4000109.7T220 Y221 V226 F227 E228 Q279 F280 T283 F284T220-I224 WeakPolarHBondContact O-CG1 3.42Å; T220-I224 PolarHBondContact O-N 2.92Å; Y221-I224 HydrophobicContact CD1-CD1 4.24Å; Y221-I224 PolarHBondContact O-N 3.14Å; I224-V226 VanDerWaalsContact C-N 3.3Å; I224-V226 PolarHBondContact O-N 3.14Å; I224-F227 PolarHBondContact O-N 3.48Å; I224-F227 VanDerWaalsContact O-N 3.14Å; I224-E228 HydrophobicContact CG2-CG 4.27Å; I224-E228 WeakPolarHBondContact O-CG 3.16Å; I224-E228 PolarHBondContact O-N 3.21Å; I224-Q279 HydrophobicContact CD1-CB 4.11Å; I224-F280 HydrophobicContact CD1-CB 3.97Å; I224-F280 HydrophobicContact CG1-CB 3.95Å; I224-F280 HydrophobicContact CG1-CD2 3.74Å; I224-F280 HydrophobicContact CG1-CG 4.27Å; I224-T283 HydrophobicContact CG2-CG2 4.01Å; I224-F284 HydrophobicContact CB-CE2 4.33Å; I224-F284 HydrophobicContact CG1-CE2 4.16Å; I224-F284 HydrophobicContact CG2-CE2 4.19Å; I224-F284 HydrophobicContact CG2-CZ 4.18Å
225A94.2Very high93.7Very high11 Ų1136.2 Ų36.29%0.09117%0.167CC..Hα-helixtrans-61.6-35.4179.300000113.3R126 Y221 T222 I223 M229R126-A225 HydrophobicContact CG-CB 3.6Å; Y221-A225 PolarHBondContact O-N 2.94Å; Y221-A225 VanDerWaalsContact O-N 3.1Å; T222-A225 PolarHBondContact O-N 3.49Å; I223-A225 VanDerWaalsContact C-N 3.33Å; I223-A225 PolarHBondContact O-N 3.36Å; A225-M229 WeakPolarHBondContact O-CG 3.44Å; A225-M229 PolarHBondContact O-N 3.31Å
226V93.7Very high93.4Very high0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-58.2-51.6172.61680000110.9I129 I140 T222 I223 I224 M229 D230 F233I129-V226 HydrophobicContact CD1-CB 4.49Å; I129-V226 HydrophobicContact CD1-CG2 3.31Å; I129-V226 HydrophobicContact CG1-CG2 4.11Å; I140-V226 HydrophobicContact CG1-CG2 4.41Å; I140-V226 HydrophobicContact CG2-CG1 3.47Å; I140-V226 VanDerWaalsContact CG2-CG1 3.47Å; I140-V226 HydrophobicContact CG2-CG2 4.28Å; T222-V226 WeakPolarHBondContact O-CG2 3.23Å; T222-V226 PolarHBondContact O-N 3.3Å; I223-V226 WeakPolarHBondContact O-CB 3.42Å; I223-V226 PolarHBondContact O-N 3.41Å; I224-V226 VanDerWaalsContact C-N 3.3Å; I224-V226 PolarHBondContact O-N 3.14Å; V226-M229 PolarHBondContact O-N 3.06Å; V226-D230 PolarHBondContact O-N 3.46Å; V226-D230 VanDerWaalsContact O-N 3.08Å; V226-F233 HydrophobicContact CG1-CD1 4.22Å; V226-F233 HydrophobicContact CG1-CE1 4.32Å
227F93.3Very high93.2Very high0 Ų042.7 Ų42.70%020%0.203CC..Hα-helixtrans-78.8-21.8-173.5-68.9-44.1000113.8V144 I223 I224 M229 D230 R231 F233 L234 E237 M241 F280 F284V144-F227 HydrophobicContact CG1-CZ 4.33Å; V144-F227 HydrophobicContact CG2-CZ 4.11Å; I223-F227 HydrophobicContact CG2-CD2 3.63Å; I223-F227 HydrophobicContact CG2-CE2 3.27Å; I223-F227 HydrophobicContact CG2-CZ 4.23Å; I223-F227 VanDerWaalsContact O-CD2 3.28Å; I223-F227 WeakPolarHBondContact O-CD2 3.5Å; I223-F227 PolarHBondContact O-N 2.9Å; I223-F227 VanDerWaalsContact O-N 3.1Å; I224-F227 PolarHBondContact O-N 3.48Å; I224-F227 VanDerWaalsContact O-N 3.14Å; F227-M229 VanDerWaalsContact C-N 3.25Å; F227-D230 CarbonylContact O-C 3.57Å; F227-R231 VanDerWaalsContact O-CD 3.25Å; F227-R231 WeakPolarHBondContact O-CD 3.46Å; F227-R231 PolarHBondContact O-N 2.8Å; F227-F233 HydrophobicContact CD1-CD1 4.05Å; F227-F233 AromaticContact CE1-CD1 3.52Å; F227-F233 HydrophobicContact CE1-CD1 3.52Å; F227-F233 AromaticContact CE1-CE1 3.79Å; F227-F233 HydrophobicContact CE1-CE1 3.79Å; F227-F233 HydrophobicContact CE1-CG 4.22Å; F227-F233 HydrophobicContact CZ-CE1 4.46Å; F227-L234 HydrophobicContact CB-CB 3.96Å; F227-L234 HydrophobicContact CB-CD1 4.11Å; F227-L234 HydrophobicContact CB-CD2 4.38Å; F227-L234 HydrophobicContact CB-CG 4.37Å; F227-L234 VanDerWaalsContact CD1-CA 3.46Å; F227-L234 HydrophobicContact CD1-CB 3.54Å; F227-L234 HydrophobicContact CD1-CD1 4.08Å; F227-L234 HydrophobicContact CD1-CG 4.4Å; F227-L234 HydrophobicContact CD2-CD1 3.64Å; F227-L234 HydrophobicContact CE1-CB 4.17Å; F227-L234 HydrophobicContact CE1-CD1 4.41Å; F227-L234 HydrophobicContact CE2-CD1 4Å; F227-L234 HydrophobicContact CG-CB 3.8Å; F227-L234 HydrophobicContact CG-CD1 3.69Å; F227-L234 HydrophobicContact CG-CG 4.25Å; F227-L234 HydrophobicContact CZ-CD1 4.39Å; F227-E237 HydrophobicContact CZ-CB 4.42Å; F227-M241 HydrophobicContact CD2-CE 4.33Å; F227-M241 HydrophobicContact CE1-CE 4.3Å; F227-M241 HydrophobicContact CE2-CE 3.34Å; F227-M241 HydrophobicContact CE2-SD 3.43Å; F227-M241 WeakPolarHBondContact CE2-SD 3.28Å; F227-M241 HydrophobicContact CZ-CE 3.34Å; F227-M241 HydrophobicContact CZ-SD 3.45Å; F227-M241 WeakPolarHBondContact CZ-SD 3.5Å; F227-F280 AromaticContact CD2-CE2 3.79Å; F227-F280 HydrophobicContact CD2-CE2 3.79Å; F227-F280 HydrophobicContact CD2-CZ 4.21Å; F227-F280 HydrophobicContact CE2-CE2 4.05Å; F227-F280 HydrophobicContact CE2-CZ 4.35Å; F227-F284 HydrophobicContact CB-CE1 3.64Å; F227-F284 HydrophobicContact CB-CE2 4.06Å; F227-F284 HydrophobicContact CB-CZ 3.37Å; F227-F284 HydrophobicContact CG-CZ 4.49Å
228E92.7Very high92.8Very high91 Ų9142 Ų4243%0.42520%0.199SC..Hα-helixtrans-62.7-35.4166.8-77.2-179154.500111.8I224 T283 F284I224-E228 HydrophobicContact CG2-CG 4.27Å; I224-E228 WeakPolarHBondContact O-CG 3.16Å; I224-E228 PolarHBondContact O-N 3.21Å; E228-T283 HydrophobicContact CG-CG2 3.85Å; E228-T283 VanDerWaalsContact OE1-CG2 3.28Å; E228-T283 WeakPolarHBondContact OE1-CG2 3.21Å; E228-F284 HydrophobicContact CG-CE1 4.33Å; E228-F284 HydrophobicContact CG-CZ 4.19Å
229M89.7Confident92.2Very high96 Ų9644.1 Ų44.147%0.47322%0.216SC..Hα-helixtrans-81.4-36.9178.3-61.8-64.295.200113.1I129 A225 V226 F227I129-M229 HydrophobicContact CG2-CB 4.47Å; I129-M229 HydrophobicContact CG2-CG 3.98Å; A225-M229 WeakPolarHBondContact O-CG 3.44Å; A225-M229 PolarHBondContact O-N 3.31Å; V226-M229 PolarHBondContact O-N 3.06Å; F227-M229 VanDerWaalsContact C-N 3.25Å
230D90.7Very high91.6Very high56 Ų5646 Ų4630%0.29923%0.229SC..  trans-128.990.7175.7-175.3-3.2000112.5V226 F227 N232 F233 L234V226-D230 PolarHBondContact O-N 3.46Å; V226-D230 VanDerWaalsContact O-N 3.08Å; F227-D230 CarbonylContact O-C 3.57Å; D230-N232 VanDerWaalsContact C-N 3.28Å; D230-N232 PolarHBondContact O-N 3.46Å; D230-N232 WeakPolarHBondContact OD1-CB 3.49Å; D230-N232 PolarHBondContact OD1-N 2.96Å; D230-F233 HydrophobicContact CB-CB 4.14Å; D230-F233 VanDerWaalsContact CG-CB 3.47Å; D230-F233 PolarHBondContact O-N 3.25Å; D230-F233 PolarHBondContact OD1-N 3.41Å; D230-F233 WeakPolarHBondContact OD2-CB 3.45Å; D230-L234 PolarHBondContact O-N 3.4Å
231R90.6Very high91.2Very high79 Ų7946 Ų4630%0.29823%0.23SC..Hα-helixtrans-69-22.2176.5-65.2-73.2-177146.5-12.2113.1F227 L234 R235 T283 F284 E287F227-R231 VanDerWaalsContact O-CD 3.25Å; F227-R231 WeakPolarHBondContact O-CD 3.46Å; F227-R231 PolarHBondContact O-N 2.8Å; R231-L234 WeakPolarHBondContact O-CB 3.36Å; R231-R235 WeakPolarHBondContact O-CG 3.12Å; R231-R235 PolarHBondContact O-N 3.01Å; R231-T283 PolarHBondContact NH1-O 3.12Å; R231-T283 PolarHBondContact NH2-O 2.78Å; R231-F284 VanDerWaalsContact CZ-CD1 3.47Å; R231-F284 VanDerWaalsContact CZ-CE1 3.45Å; R231-E287 WeakPolarHBondContact CD-OE1 3.42Å; R231-E287 IonicContact CZ-OE1 3Å; R231-E287 IonicContact NE-OE1 2.66Å; R231-E287 VanDerWaalsContact NH1-CD 3.33Å; R231-E287 IonicContact NH1-OE1 2.96Å; R231-E287 PolarHBondContact NH1-OE1 3.46Å; R231-E287 IonicContact NH1-OE2 2.6Å; R231-E287 PolarHBondContact NH1-OE2 3.16Å
232N90.2Very high90.8Very high111 Ų11143.1 Ų43.159%0.59422%0.219SC*.Hα-helixtrans-72.6-41.8176.5-67.9-37000110.2D230 L234 R235 T236D230-N232 VanDerWaalsContact C-N 3.28Å; D230-N232 PolarHBondContact O-N 3.46Å; D230-N232 WeakPolarHBondContact OD1-CB 3.49Å; D230-N232 PolarHBondContact OD1-N 2.96Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 PolarHBondContact O-N 2.96Å; N232-R235 WeakPolarHBondContact O-CB 3.41Å; N232-R235 PolarHBondContact O-N 3.14Å; N232-R235 VanDerWaalsContact O-N 3.17Å; N232-T236 PolarHBondContact O-N 3.33Å
233F91.3Very high90.3Very high28 Ų2846.3 Ų46.312%0.12324%0.24CC..Hα-helixtrans-64.3-34.2174.6-178.2-128.6000112.7I140 R141 V144 V226 F227 D230 T236 E237I140-F233 HydrophobicContact CG2-CD1 4.22Å; I140-F233 HydrophobicContact CG2-CE1 3.64Å; I140-F233 HydrophobicContact CG2-CZ 4.48Å; R141-F233 HydrophobicContact CG-CE2 4.28Å; R141-F233 HydrophobicContact CG-CZ 4.02Å; V144-F233 HydrophobicContact CB-CE1 4.44Å; V144-F233 HydrophobicContact CB-CZ 4.26Å; V144-F233 HydrophobicContact CG1-CZ 4.39Å; V144-F233 HydrophobicContact CG2-CE1 3.53Å; V144-F233 HydrophobicContact CG2-CZ 3.83Å; V226-F233 HydrophobicContact CG1-CD1 4.22Å; V226-F233 HydrophobicContact CG1-CE1 4.32Å; F227-F233 HydrophobicContact CD1-CD1 4.05Å; F227-F233 AromaticContact CE1-CD1 3.52Å; F227-F233 HydrophobicContact CE1-CD1 3.52Å; F227-F233 AromaticContact CE1-CE1 3.79Å; F227-F233 HydrophobicContact CE1-CE1 3.79Å; F227-F233 HydrophobicContact CE1-CG 4.22Å; F227-F233 HydrophobicContact CZ-CE1 4.46Å; D230-F233 HydrophobicContact CB-CB 4.14Å; D230-F233 VanDerWaalsContact CG-CB 3.47Å; D230-F233 PolarHBondContact O-N 3.25Å; D230-F233 PolarHBondContact OD1-N 3.41Å; D230-F233 WeakPolarHBondContact OD2-CB 3.45Å; F233-T236 WeakPolarHBondContact CA-OG1 3.21Å; F233-T236 PolarHBondContact O-N 3.02Å; F233-T236 PolarHBondContact O-OG1 3.41Å; F233-E237 HydrophobicContact CD2-CG 4.06Å; F233-E237 HydrophobicContact CE2-CG 3.55Å; F233-E237 HydrophobicContact CZ-CG 3.85Å; F233-E237 PolarHBondContact O-N 3.33Å
234L89.8Confident90Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-57.3-49.9169.9173.966000111.6F227 D230 R231 N232 T236 E237 M238 M241 F280 F284 E287F227-L234 HydrophobicContact CB-CB 3.96Å; F227-L234 HydrophobicContact CB-CD1 4.11Å; F227-L234 HydrophobicContact CB-CD2 4.38Å; F227-L234 HydrophobicContact CB-CG 4.37Å; F227-L234 VanDerWaalsContact CD1-CA 3.46Å; F227-L234 HydrophobicContact CD1-CB 3.54Å; F227-L234 HydrophobicContact CD1-CD1 4.08Å; F227-L234 HydrophobicContact CD1-CG 4.4Å; F227-L234 HydrophobicContact CD2-CD1 3.64Å; F227-L234 HydrophobicContact CE1-CB 4.17Å; F227-L234 HydrophobicContact CE1-CD1 4.41Å; F227-L234 HydrophobicContact CE2-CD1 4Å; F227-L234 HydrophobicContact CG-CB 3.8Å; F227-L234 HydrophobicContact CG-CD1 3.69Å; F227-L234 HydrophobicContact CG-CG 4.25Å; F227-L234 HydrophobicContact CZ-CD1 4.39Å; D230-L234 PolarHBondContact O-N 3.4Å; R231-L234 WeakPolarHBondContact O-CB 3.36Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 PolarHBondContact O-N 2.96Å; L234-T236 PolarHBondContact O-N 3.11Å; L234-E237 PolarHBondContact O-N 3.38Å; L234-E237 VanDerWaalsContact O-N 3.11Å; L234-M238 HydrophobicContact CD1-CE 3.63Å; L234-M238 HydrophobicContact CD1-SD 4.27Å; L234-M238 HydrophobicContact CD2-CE 3.84Å; L234-M238 HydrophobicContact CG-CE 3.64Å; L234-M238 WeakPolarHBondContact O-CB 3.37Å; L234-M238 PolarHBondContact O-N 3.35Å; L234-M241 HydrophobicContact CD1-CE 3.88Å; L234-F280 HydrophobicContact CD1-CZ 3.99Å; L234-F284 HydrophobicContact CD2-CB 4Å; L234-F284 HydrophobicContact CD2-CD1 3.21Å; L234-F284 HydrophobicContact CD2-CD2 4.45Å; L234-F284 HydrophobicContact CD2-CE1 3.81Å; L234-F284 HydrophobicContact CD2-CG 3.64Å; L234-E287 HydrophobicContact CD2-CB 4.43Å; L234-E287 HydrophobicContact CD2-CG 4.31Å
235R89.8Confident89.9Confident163 Ų16345.9 Ų45.962%0.61524%0.239SC*.Hα-helixtrans-59.6-35.9-178-71.2173.1-179.4176.1-1.5112.1R231 N232R231-R235 WeakPolarHBondContact O-CG 3.12Å; R231-R235 PolarHBondContact O-N 3.01Å; N232-R235 WeakPolarHBondContact O-CB 3.41Å; N232-R235 PolarHBondContact O-N 3.14Å; N232-R235 VanDerWaalsContact O-N 3.17Å
236T89.4Confident89.7Confident96 Ų9646.6 Ų46.659%0.58924%0.241SC*.Hα-helixtrans-69.6-35.5176.850.70000113N232 F233 L234N232-T236 PolarHBondContact O-N 3.33Å; F233-T236 WeakPolarHBondContact CA-OG1 3.21Å; F233-T236 PolarHBondContact O-N 3.02Å; F233-T236 PolarHBondContact O-OG1 3.41Å; L234-T236 PolarHBondContact O-N 3.11Å
237E90.3Very high89.5Confident44 Ų4452 Ų5221%0.20626%0.264CS..Hα-helixtrans-94.9-13.9-174.9-64.7-66.3140.600113.7V144 K148 F227 F233 L234 S239 S240 M241V144-E237 HydrophobicContact CG1-CB 4.44Å; V144-E237 HydrophobicContact CG1-CG 4.16Å; K148-E237 IonicContact NZ-OE2 3.13Å; K148-E237 PolarHBondContact NZ-OE2 3.14Å; F227-E237 HydrophobicContact CZ-CB 4.42Å; F233-E237 HydrophobicContact CD2-CG 4.06Å; F233-E237 HydrophobicContact CE2-CG 3.55Å; F233-E237 HydrophobicContact CZ-CG 3.85Å; F233-E237 PolarHBondContact O-N 3.33Å; L234-E237 PolarHBondContact O-N 3.38Å; L234-E237 VanDerWaalsContact O-N 3.11Å; E237-S239 VanDerWaalsContact C-N 3.32Å; E237-S239 PolarHBondContact O-N 3.29Å; E237-S240 PolarHBondContact O-N 2.99Å; E237-S240 VanDerWaalsContact O-N 3.15Å; E237-S240 PolarHBondContact O-OG 3.1Å; E237-M241 HydrophobicContact CB-CE 3.63Å; E237-M241 HydrophobicContact CB-SD 4.1Å; E237-M241 PolarHBondContact O-N 3.27Å
238M88.1Confident89.4Confident3 Ų352 Ų522%0.01526%0.264CS..Hα-helixtrans-51.2-45.2-170-174.665.583.400113.7L234 S240 M241 L242 E287 I288 F291L234-M238 HydrophobicContact CD1-CE 3.63Å; L234-M238 HydrophobicContact CD1-SD 4.27Å; L234-M238 HydrophobicContact CD2-CE 3.84Å; L234-M238 HydrophobicContact CG-CE 3.64Å; L234-M238 WeakPolarHBondContact O-CB 3.37Å; L234-M238 PolarHBondContact O-N 3.35Å; M238-S240 VanDerWaalsContact C-N 3.26Å; M238-S240 PolarHBondContact O-N 3.12Å; M238-M241 PolarHBondContact O-N 2.82Å; M238-L242 VanDerWaalsContact O-CB 3.31Å; M238-L242 WeakPolarHBondContact O-CB 3.39Å; M238-L242 PolarHBondContact O-N 2.57Å; M238-L242 HydrophobicContact SD-CB 4.28Å; M238-E287 HydrophobicContact CE-CB 3.77Å; M238-I288 HydrophobicContact CE-CG1 3.76Å; M238-I288 HydrophobicContact SD-CG1 3.85Å; M238-F291 HydrophobicContact CG-CB 4.19Å; M238-F291 HydrophobicContact CG-CD1 3.94Å; M238-F291 HydrophobicContact CG-CD2 4.3Å; M238-F291 HydrophobicContact CG-CG 3.85Å
239S82.9Confident89.3Confident71 Ų7147.8 Ų47.850%0.49725%0.245SC..Hα-helixtrans-57.9-39.1-17662.40000113E237E237-S239 VanDerWaalsContact C-N 3.32Å; E237-S239 PolarHBondContact O-N 3.29Å
240S84.3Confident89.2Confident39 Ų3946.5 Ų46.527%0.27325%0.245SC..Hα-helixtrans-81.1-34.4-177.970.30000112.7K148 E237 M238K148-S240 WeakPolarHBondContact CD-OG 3.49Å; E237-S240 PolarHBondContact O-N 2.99Å; E237-S240 VanDerWaalsContact O-N 3.15Å; E237-S240 PolarHBondContact O-OG 3.1Å; M238-S240 VanDerWaalsContact C-N 3.26Å; M238-S240 PolarHBondContact O-N 3.12Å
241M88.7Confident88.8Confident2 Ų245.4 Ų45.41%0.0124%0.242CC..Hα-helixtrans-82.8-45-175.4-66.7-176.3-54.700112.9V144 F147 K148 F227 L234 E237 M238 C243 G244 I245 F280V144-M241 HydrophobicContact CG1-SD 4.01Å; F147-M241 HydrophobicContact CD1-CG 4.26Å; F147-M241 HydrophobicContact CD1-SD 4.2Å; F147-M241 HydrophobicContact CE1-CB 4.26Å; F147-M241 HydrophobicContact CE1-CG 4.21Å; F147-M241 HydrophobicContact CE1-SD 4.22Å; K148-M241 HydrophobicContact CD-CG 4.1Å; K148-M241 HydrophobicContact CG-CG 3.74Å; F227-M241 HydrophobicContact CD2-CE 4.33Å; F227-M241 HydrophobicContact CE1-CE 4.3Å; F227-M241 HydrophobicContact CE2-CE 3.34Å; F227-M241 HydrophobicContact CE2-SD 3.43Å; F227-M241 WeakPolarHBondContact CE2-SD 3.28Å; F227-M241 HydrophobicContact CZ-CE 3.34Å; F227-M241 HydrophobicContact CZ-SD 3.45Å; F227-M241 WeakPolarHBondContact CZ-SD 3.5Å; L234-M241 HydrophobicContact CD1-CE 3.88Å; E237-M241 HydrophobicContact CB-CE 3.63Å; E237-M241 HydrophobicContact CB-SD 4.1Å; E237-M241 PolarHBondContact O-N 3.27Å; M238-M241 PolarHBondContact O-N 2.82Å; M241-C243 PolarHBondContact O-N 3.33Å; M241-G244 PolarHBondContact O-N 3.42Å; M241-I245 WeakPolarHBondContact O-CG1 3.27Å; M241-I245 PolarHBondContact O-N 3.12Å; M241-F280 HydrophobicContact CE-CZ 4.35Å
242L88.7Confident87.8Confident3 Ų345.5 Ų45.52%0.01625%0.252CS..Hα-helixtrans-59-37.2-173-177.463.8000111.6M238 G244 I245 L246 I288 F291 N292M238-L242 VanDerWaalsContact O-CB 3.31Å; M238-L242 WeakPolarHBondContact O-CB 3.39Å; M238-L242 PolarHBondContact O-N 2.57Å; M238-L242 HydrophobicContact SD-CB 4.28Å; L242-G244 PolarHBondContact O-N 3.32Å; L242-I245 PolarHBondContact O-N 3.46Å; L242-L246 HydrophobicContact CD1-CD1 4.05Å; L242-L246 HydrophobicContact CD1-CD2 4.5Å; L242-L246 HydrophobicContact CD1-CG 3.99Å; L242-L246 HydrophobicContact CD2-CD1 4.38Å; L242-L246 HydrophobicContact CG-CD1 3.83Å; L242-L246 HydrophobicContact CG-CG 4.19Å; L242-L246 WeakPolarHBondContact O-CB 3.32Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.24Å; L242-L246 PolarHBondContact O-N 3.12Å; L242-I288 HydrophobicContact CD1-CD1 4.13Å; L242-I288 HydrophobicContact CD1-CG1 4.16Å; L242-I288 HydrophobicContact CD1-CG2 3.98Å; L242-I288 HydrophobicContact CD2-CG2 4.02Å; L242-F291 HydrophobicContact CD2-CD1 3.86Å; L242-F291 HydrophobicContact CD2-CE1 4.45Å; L242-N292 HydrophobicContact CD2-CB 4.02Å
243C87Confident86.3Confident67 Ų6741.3 Ų41.345%0.45323%0.232SC..Hα-helixtrans-59-45.2175.8-175.10000112.1M241 K247M241-C243 PolarHBondContact O-N 3.33Å; C243-K247 VanDerWaalsContact O-CG 3.29Å; C243-K247 WeakPolarHBondContact O-CG 3.41Å; C243-K247 PolarHBondContact O-N 3.07Å; C243-K247 VanDerWaalsContact O-N 3.11Å
244G89.7Confident84.8Confident4 Ų444.2 Ų44.24%0.04126%0.256CS..Hα-helixtrans-65.3-45.317700000112.3M241 L242 L246 K247 V248M241-G244 PolarHBondContact O-N 3.42Å; L242-G244 PolarHBondContact O-N 3.32Å; G244-L246 PolarHBondContact O-N 3.37Å; G244-K247 PolarHBondContact O-N 2.74Å; G244-V248 WeakPolarHBondContact O-CG2 3.3Å; G244-V248 PolarHBondContact O-N 2.97Å
245I93.2Very high83Confident0 Ų050.2 Ų50.20%029%0.285CS..Hα-helixtrans-59.8-47.9178.7-64.8175000111F147 Y151 M241 L242 K247 V248 L249 A277 F280 I281F147-I245 HydrophobicContact CE1-CD1 4.18Å; F147-I245 HydrophobicContact CE1-CG1 4.29Å; F147-I245 HydrophobicContact CZ-CD1 3.95Å; F147-I245 HydrophobicContact CZ-CG1 4.03Å; Y151-I245 HydrophobicContact CD1-CB 4.46Å; Y151-I245 HydrophobicContact CD1-CG1 3.88Å; Y151-I245 HydrophobicContact CE1-CB 4.46Å; Y151-I245 HydrophobicContact CE1-CG1 3.89Å; M241-I245 WeakPolarHBondContact O-CG1 3.27Å; M241-I245 PolarHBondContact O-N 3.12Å; L242-I245 PolarHBondContact O-N 3.46Å; I245-K247 VanDerWaalsContact C-N 3.34Å; I245-K247 PolarHBondContact O-N 3.37Å; I245-V248 PolarHBondContact O-N 3.29Å; I245-L249 HydrophobicContact CG2-CD1 4.18Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.21Å; I245-A277 HydrophobicContact CG2-CB 4.01Å; I245-F280 HydrophobicContact CD1-CD1 3.4Å; I245-F280 HydrophobicContact CD1-CD2 4.18Å; I245-F280 HydrophobicContact CD1-CE1 3.42Å; I245-F280 VanDerWaalsContact CD1-CE1 3.42Å; I245-F280 HydrophobicContact CD1-CE2 4.17Å; I245-F280 HydrophobicContact CD1-CG 3.82Å; I245-F280 HydrophobicContact CD1-CZ 3.83Å; I245-I281 HydrophobicContact CG2-CD1 4.19Å; I245-I281 HydrophobicContact CG2-CG1 4.13Å
246L89.3Confident81.3Confident26 Ų2646.7 Ų46.714%0.13628%0.279CS..Hα-helixtrans-66.7-34.1-179.9-69.1176.3000112.7L242 G244 L249 S250 I281 A295L242-L246 HydrophobicContact CD1-CD1 4.05Å; L242-L246 HydrophobicContact CD1-CD2 4.5Å; L242-L246 HydrophobicContact CD1-CG 3.99Å; L242-L246 HydrophobicContact CD2-CD1 4.38Å; L242-L246 HydrophobicContact CG-CD1 3.83Å; L242-L246 HydrophobicContact CG-CG 4.19Å; L242-L246 WeakPolarHBondContact O-CB 3.32Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.24Å; L242-L246 PolarHBondContact O-N 3.12Å; G244-L246 PolarHBondContact O-N 3.37Å; L246-L249 HydrophobicContact CD2-CD1 4.46Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-S250 WeakPolarHBondContact O-CB 3.34Å; L246-S250 PolarHBondContact O-N 2.75Å; L246-S250 PolarHBondContact O-OG 3.33Å; L246-I281 HydrophobicContact CD2-CD1 3.83Å; L246-A295 HydrophobicContact CD1-CB 3.42Å; L246-A295 VanDerWaalsContact CD1-CB 3.42Å
247K89.3Confident79.6Confident113 Ų11347.8 Ų47.849%0.49129%0.29SS..Hα-helixtrans-63.1-47.5171.9-74.8173.9179.2-179.60111.2P155 C243 G244 I245 L249 S250 S251P155-K247 HydrophobicContact CB-CB 4.36Å; P155-K247 HydrophobicContact CG-CB 3.71Å; C243-K247 VanDerWaalsContact O-CG 3.29Å; C243-K247 WeakPolarHBondContact O-CG 3.41Å; C243-K247 PolarHBondContact O-N 3.07Å; C243-K247 VanDerWaalsContact O-N 3.11Å; G244-K247 PolarHBondContact O-N 2.74Å; I245-K247 VanDerWaalsContact C-N 3.34Å; I245-K247 PolarHBondContact O-N 3.37Å; K247-L249 VanDerWaalsContact C-N 3.28Å; K247-L249 PolarHBondContact O-N 2.87Å; K247-S250 PolarHBondContact O-N 3.43Å; K247-S250 VanDerWaalsContact O-N 3.11Å; K247-S251 PolarHBondContact O-N 3.21Å; K247-S251 PolarHBondContact O-OG 3.35Å; K247-S251 VanDerWaalsContact O-OG 3.04Å
248V92Very high77.9Confident0 Ų049 Ų490%031%0.308CS..Hα-helixtrans-58.1-40.4176.6166.60000111.9Y151 L154 P155 F158 G244 I245 L273 Q274Y151-V248 HydrophobicContact CD1-CB 4.23Å; Y151-V248 HydrophobicContact CD1-CG2 3.67Å; Y151-V248 HydrophobicContact CE1-CB 4.19Å; Y151-V248 HydrophobicContact CE1-CG1 4.28Å; Y151-V248 HydrophobicContact CE1-CG2 4Å; L154-V248 HydrophobicContact CB-CG2 4.06Å; L154-V248 HydrophobicContact CD1-CG2 4.48Å; P155-V248 HydrophobicContact CG-CG2 3.84Å; F158-V248 HydrophobicContact CZ-CG1 4.1Å; G244-V248 WeakPolarHBondContact O-CG2 3.3Å; G244-V248 PolarHBondContact O-N 2.97Å; I245-V248 PolarHBondContact O-N 3.29Å; V248-L273 HydrophobicContact CG1-CD2 4.31Å; V248-L273 HydrophobicContact CG1-CG 4.39Å; V248-Q274 HydrophobicContact CG1-CG 4.22Å; V248-Q274 PolarHBondContact O-NE2 3.13Å
249L91.3Very high76.4Confident2 Ų253.8 Ų53.81%0.0133%0.33CS..Hα-helixtrans-70.3-32.6176.7-69.2174.2000113.4I245 L246 K247 Q274 A277 L278 I281 L299 S302 I306I245-L249 HydrophobicContact CG2-CD1 4.18Å; I245-L249 WeakPolarHBondContact O-CG 3.44Å; I245-L249 PolarHBondContact O-N 3.21Å; L246-L249 HydrophobicContact CD2-CD1 4.46Å; L246-L249 PolarHBondContact O-N 3.32Å; K247-L249 VanDerWaalsContact C-N 3.28Å; K247-L249 PolarHBondContact O-N 2.87Å; L249-Q274 HydrophobicContact CD2-CB 4.18Å; L249-Q274 WeakPolarHBondContact CD2-O 3.48Å; L249-A277 HydrophobicContact CD2-CB 3.8Å; L249-A277 HydrophobicContact CG-CB 4.1Å; L249-L278 HydrophobicContact CD1-CD2 3.92Å; L249-L278 HydrophobicContact CD2-CD2 3.72Å; L249-L278 HydrophobicContact CD2-CG 3.71Å; L249-L278 HydrophobicContact CG-CD2 4.47Å; L249-I281 HydrophobicContact CD1-CD1 3.21Å; L249-I281 HydrophobicContact CD1-CG1 4.31Å; L249-L299 HydrophobicContact CD1-CD1 4.12Å; L249-S302 WeakPolarHBondContact O-CB 3.45Å; L249-I306 HydrophobicContact CD2-CD1 3.8Å
250S86.4Confident75.3Confident70 Ų7055.2 Ų55.249%0.4934%0.338SS..Hα-helixtrans-82.6-21.1-178.3-54.20000112.9L246 K247 T252L246-S250 WeakPolarHBondContact O-CB 3.34Å; L246-S250 PolarHBondContact O-N 2.75Å; L246-S250 PolarHBondContact O-OG 3.33Å; K247-S250 PolarHBondContact O-N 3.43Å; K247-S250 VanDerWaalsContact O-N 3.11Å; S250-T252 PolarHBondContact O-N 2.9Å
251S83.8Confident74.2Confident32 Ų3261.1 Ų61.122%0.22436%0.361CS..PPolyproline II helixtrans-74.3119.5177.9-67.30000111.6K247 Q274K247-S251 PolarHBondContact O-N 3.21Å; K247-S251 PolarHBondContact O-OG 3.35Å; K247-S251 VanDerWaalsContact O-OG 3.04Å; S251-Q274 PolarHBondContact O-NE2 2.9Å
252T67.6Low73Confident82 Ų8264.4 Ų64.450%0.50338%0.376SS..PPolyproline II helixtrans-98.5134.4171.455.50000110.5S250 S254 N305S250-T252 PolarHBondContact O-N 2.9Å; T252-S254 PolarHBondContact O-N 3.43Å; T252-N305 HydrophobicContact CG2-CB 3.85Å
253A60.5Low72.1Confident22 Ų2264.4 Ų64.418%0.18238%0.376CS..PPolyproline II helixtrans-77.6116.9169.600000109.3M162 I267 I270M162-A253 HydrophobicContact CG-CB 4.25Å; M162-A253 HydrophobicContact SD-CB 4.09Å; A253-I267 HydrophobicContact CB-CG1 4.32Å; A253-I270 HydrophobicContact CB-CD1 4.01Å
254S58.1Low71.8Confident89 Ų8963.6 Ų63.662%0.62237%0.367SS*.PPolyproline II helixtrans-75.3134169.557.50000109.7T252T252-S254 PolarHBondContact O-N 3.43Å
255M52.9Low71.3Confident126 Ų12667.3 Ų67.362%0.62139%0.389SS*.PPolyproline II helixtrans-67.1129.5170.8-66.4-75.4-174.700109.9I267M255-I267 HydrophobicContact CE-CD1 3.08Å; M255-I267 HydrophobicContact CE-CG1 4.5Å; M255-I267 HydrophobicContact CG-CD1 4.34Å; M255-I267 HydrophobicContact SD-CD1 3.14Å; M255-I267 WeakPolarHBondContact SD-CD1 3.09Å
256D54.2Low70.8Confident90 Ų9067.3 Ų67.348%0.48139%0.389SS..PPolyproline II helixtrans-99.9140.8161.2-147-16.9000108.3A258 N263D256-A258 VanDerWaalsContact C-N 3.27Å; D256-A258 PolarHBondContact O-N 3.17Å; D256-N263 PolarHBondContact O-ND2 2.99Å
257S52.8Low70.6Confident118 Ų11866.4 Ų66.483%0.82538%0.384SS*.THydrogen-bonded Turntrans-80.6-0.7-167.959.10000114.8
258A55.1Low70.5Confident70 Ų7061.5 Ų61.558%0.57936%0.364SS*.THydrogen-bonded Turntrans-74.9-38.1-168.700000114.7D256D256-A258 VanDerWaalsContact C-N 3.27Å; D256-A258 PolarHBondContact O-N 3.17Å
259H56.5Low70.4Confident104 Ų10462.8 Ų62.848%0.48137%0.37SS..  trans-13980.4-174.2-67.2-62.8000112.2E261 Q262 N263H259-E261 PolarHBondContact O-N 3.34Å; H259-Q262 HydrophobicContact CB-CB 4.45Å; H259-Q262 PolarHBondContact O-N 3.34Å; H259-N263 WeakPolarHBondContact O-CB 3.29Å; H259-N263 PolarHBondContact O-N 2.92Å; H259-N263 PolarHBondContact O-ND2 2.86Å
260P60.9Low70.3Confident101 Ų10162.8 Ų62.866%0.65637%0.37SS*.Hα-helixtrans-61.3-43.5-169.423.1-33000113.6L264P260-L264 PolarHBondContact O-N 3.2Å; P260-L264 VanDerWaalsContact O-N 3.08Å
261E60.7Low70.6Confident162 Ų16259.6 Ų59.676%0.75735%0.347SS*.Hα-helixtrans-67.9-37.6-176.6-65.3-175.1173.900113.2H259 L264H259-E261 PolarHBondContact O-N 3.34Å; E261-L264 WeakPolarHBondContact O-CB 3.42Å; E261-L264 PolarHBondContact O-N 3.14Å
262Q63Low71.1Confident71 Ų7162.3 Ų62.333%0.33236%0.355SS..Hα-helixtrans-82.4-33.3-177.8-68.7158.1-28.600111A165 G166 H259 L264 V265 A266A165-Q262 HydrophobicContact CB-CB 4.29Å; G166-Q262 PolarHBondContact O-NE2 3.4Å; H259-Q262 HydrophobicContact CB-CB 4.45Å; H259-Q262 PolarHBondContact O-N 3.34Å; Q262-L264 PolarHBondContact O-N 3Å; Q262-V265 PolarHBondContact O-N 3.4Å; Q262-A266 PolarHBondContact O-N 3.1Å
263N70.6Confident72.4Confident4 Ų458.4 Ų58.42%0.02133%0.331CS..Hα-helixtrans-58.9-34.3168.2-72.1-13.7000111.7M162 D256 H259 A266 I267M162-N263 HydrophobicContact CE-CB 3.69Å; M162-N263 PolarHBondContact O-OD1 2.76Å; M162-N263 VanDerWaalsContact O-OD1 3.12Å; D256-N263 PolarHBondContact O-ND2 2.99Å; H259-N263 WeakPolarHBondContact O-CB 3.29Å; H259-N263 PolarHBondContact O-N 2.92Å; H259-N263 PolarHBondContact O-ND2 2.86Å; N263-A266 PolarHBondContact O-N 3.36Å; N263-I267 WeakPolarHBondContact O-CB 2.95Å; N263-I267 WeakPolarHBondContact O-CD1 3.31Å; N263-I267 VanDerWaalsContact O-CG1 3.22Å; N263-I267 WeakPolarHBondContact O-CG1 3.33Å; N263-I267 PolarHBondContact O-N 3.47Å
264L79.2Confident74Confident49 Ų4957.7 Ų57.726%0.25732%0.324SS..Hα-helixtrans-62.4-47.5175.9-176.264.5000112.2P260 E261 Q262 A266 I267 T268 P311P260-L264 PolarHBondContact O-N 3.2Å; P260-L264 VanDerWaalsContact O-N 3.08Å; E261-L264 WeakPolarHBondContact O-CB 3.42Å; E261-L264 PolarHBondContact O-N 3.14Å; Q262-L264 PolarHBondContact O-N 3Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 2.89Å; L264-I267 PolarHBondContact O-N 3.35Å; L264-T268 WeakPolarHBondContact O-CB 3.27Å; L264-T268 PolarHBondContact O-N 2.9Å; L264-T268 PolarHBondContact O-OG1 3.19Å; L264-T268 VanDerWaalsContact O-OG1 3.08Å; L264-P311 HydrophobicContact CD1-CB 3.21Å; L264-P311 HydrophobicContact CD1-CG 3.44Å; L264-P311 VanDerWaalsContact CD1-CG 3.44Å
265V80.1Confident75.8Confident83 Ų8355.3 Ų55.350%0.50330%0.302SS..Hα-helixtrans-61.5-44.2178.7178.20000111Q262 T268 Q269Q262-V265 PolarHBondContact O-N 3.4Å; V265-T268 PolarHBondContact O-N 3.19Å; V265-Q269 WeakPolarHBondContact O-CG 3.05Å; V265-Q269 PolarHBondContact O-N 3.24Å; V265-Q269 VanDerWaalsContact O-N 3.09Å
266A82.1Confident77.8Confident0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-61.1-47178.500000111.8M162 A165 F191 Q262 N263 L264 Q269 I270M162-A266 HydrophobicContact SD-CB 4.03Å; A165-A266 HydrophobicContact CB-CB 3.93Å; F191-A266 HydrophobicContact CE1-CB 3.98Å; F191-A266 HydrophobicContact CE2-CB 3.89Å; F191-A266 HydrophobicContact CZ-CB 3.41Å; F191-A266 VanDerWaalsContact CZ-CB 3.41Å; Q262-A266 PolarHBondContact O-N 3.1Å; N263-A266 PolarHBondContact O-N 3.36Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 2.89Å; A266-Q269 PolarHBondContact O-N 2.95Å; A266-I270 WeakPolarHBondContact O-CG1 3.33Å; A266-I270 PolarHBondContact O-N 3.01Å
267I84.3Confident79.8Confident6 Ų645 Ų453%0.03125%0.249CC..Hα-helixtrans-64.6-45.6179.5-72.1170.9000111.3M162 A253 M255 N263 L264 Q269 I270 I271M162-I267 HydrophobicContact CE-CD1 3.6Å; M162-I267 HydrophobicContact CE-CG1 3.7Å; M162-I267 HydrophobicContact SD-CD1 4.2Å; M162-I267 HydrophobicContact SD-CG1 3.63Å; A253-I267 HydrophobicContact CB-CG1 4.32Å; M255-I267 HydrophobicContact CE-CD1 3.08Å; M255-I267 HydrophobicContact CE-CG1 4.5Å; M255-I267 HydrophobicContact CG-CD1 4.34Å; M255-I267 HydrophobicContact SD-CD1 3.14Å; M255-I267 WeakPolarHBondContact SD-CD1 3.09Å; N263-I267 WeakPolarHBondContact O-CB 2.95Å; N263-I267 WeakPolarHBondContact O-CD1 3.31Å; N263-I267 VanDerWaalsContact O-CG1 3.22Å; N263-I267 WeakPolarHBondContact O-CG1 3.33Å; N263-I267 PolarHBondContact O-N 3.47Å; L264-I267 PolarHBondContact O-N 3.35Å; I267-Q269 PolarHBondContact O-N 3.47Å; I267-I270 PolarHBondContact O-N 2.96Å; I267-I270 VanDerWaalsContact O-N 3.12Å; I267-I271 HydrophobicContact CG2-CD1 3.63Å; I267-I271 HydrophobicContact CG2-CG1 4.22Å; I267-I271 VanDerWaalsContact O-CG1 3.31Å; I267-I271 WeakPolarHBondContact O-CG1 3.33Å; I267-I271 PolarHBondContact O-N 3.02Å
268T88.5Confident81.8Confident10 Ų1039.5 Ų39.56%0.06121%0.21CC..Hα-helixtrans-57.8-38.2176.9-64.60000111.3L264 V265 K272 E314 L317L264-T268 WeakPolarHBondContact O-CB 3.27Å; L264-T268 PolarHBondContact O-N 2.9Å; L264-T268 PolarHBondContact O-OG1 3.19Å; L264-T268 VanDerWaalsContact O-OG1 3.08Å; V265-T268 PolarHBondContact O-N 3.19Å; T268-K272 HydrophobicContact CG2-CD 4.22Å; T268-K272 WeakPolarHBondContact O-CB 3.48Å; T268-K272 VanDerWaalsContact O-CG 3.27Å; T268-K272 WeakPolarHBondContact O-CG 3.16Å; T268-K272 PolarHBondContact O-N 3.08Å; T268-E314 HydrophobicContact CG2-CG 4.11Å; T268-L317 HydrophobicContact CG2-CD2 4.4Å
269Q88.7Confident83.7Confident28 Ų2837.2 Ų37.213%0.13119%0.187CC..Hα-helixtrans-70.5-40.2175.4-69.9-172.21800113.2F191 L213 R214 V265 A266 I267 I271 K272 L273F191-Q269 HydrophobicContact CE1-CB 4.34Å; F191-Q269 VanDerWaalsContact CE1-OE1 3.29Å; L213-Q269 HydrophobicContact CB-CB 4.18Å; L213-Q269 HydrophobicContact CD1-CB 3.96Å; R214-Q269 HydrophobicContact CG-CG 4.49Å; V265-Q269 WeakPolarHBondContact O-CG 3.05Å; V265-Q269 PolarHBondContact O-N 3.24Å; V265-Q269 VanDerWaalsContact O-N 3.09Å; A266-Q269 PolarHBondContact O-N 2.95Å; I267-Q269 PolarHBondContact O-N 3.47Å; Q269-I271 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 3Å; Q269-K272 PolarHBondContact O-N 3.33Å; Q269-L273 PolarHBondContact O-N 3.37Å
270I90.9Very high85.6Confident2 Ų232.2 Ų32.21%0.0116%0.164CC..Hα-helixtrans-60.4-44.3174.2-68.1169.6000110.1F158 M162 L213 A253 A266 I267 L273 Q274F158-I270 HydrophobicContact CB-CD1 4.48Å; F158-I270 HydrophobicContact CD1-CD1 4.34Å; F158-I270 HydrophobicContact CD1-CG1 4.38Å; F158-I270 HydrophobicContact CD2-CG2 4.25Å; F158-I270 HydrophobicContact CE1-CG1 4.41Å; F158-I270 HydrophobicContact CE1-CG2 4.43Å; F158-I270 HydrophobicContact CE2-CG2 3.92Å; F158-I270 HydrophobicContact CG-CD1 4.33Å; F158-I270 HydrophobicContact CZ-CG2 4.01Å; M162-I270 HydrophobicContact SD-CD1 4.36Å; L213-I270 HydrophobicContact CD1-CG1 3.63Å; A253-I270 HydrophobicContact CB-CD1 4.01Å; A266-I270 WeakPolarHBondContact O-CG1 3.33Å; A266-I270 PolarHBondContact O-N 3.01Å; I267-I270 PolarHBondContact O-N 2.96Å; I267-I270 VanDerWaalsContact O-N 3.12Å; I270-L273 WeakPolarHBondContact O-CB 3.39Å; I270-L273 PolarHBondContact O-N 3.47Å; I270-Q274 HydrophobicContact CG2-CG 4.47Å; I270-Q274 WeakPolarHBondContact O-CG 3.27Å; I270-Q274 PolarHBondContact O-N 3.02Å
271I91.9Very high87.1Confident2 Ų227.5 Ų27.51%0.0113%0.134CC..Hα-helixtrans-66-39.9178.4-64.5172.3000110.8I267 Q269 L273 Q274 Y275 I306 S309 I310 L317I267-I271 HydrophobicContact CG2-CD1 3.63Å; I267-I271 HydrophobicContact CG2-CG1 4.22Å; I267-I271 VanDerWaalsContact O-CG1 3.31Å; I267-I271 WeakPolarHBondContact O-CG1 3.33Å; I267-I271 PolarHBondContact O-N 3.02Å; Q269-I271 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 3Å; I271-L273 VanDerWaalsContact C-N 3.29Å; I271-L273 PolarHBondContact O-N 2.86Å; I271-Q274 CarbonylContact O-C 3.59Å; I271-Q274 PolarHBondContact O-N 3.29Å; I271-Y275 WeakPolarHBondContact O-CB 3.48Å; I271-Y275 PolarHBondContact O-N 3.02Å; I271-I306 HydrophobicContact CG2-CG2 4.02Å; I271-S309 WeakPolarHBondContact CD1-O 3.43Å; I271-I310 HydrophobicContact CD1-CB 4.49Å; I271-I310 HydrophobicContact CD1-CG1 4.04Å; I271-I310 HydrophobicContact CG2-CG1 4.09Å; I271-L317 HydrophobicContact CB-CD2 4.12Å; I271-L317 HydrophobicContact CG2-CD1 4.46Å; I271-L317 HydrophobicContact CG2-CD2 3.58Å; I271-L317 HydrophobicContact CG2-CG 4.1Å
272K93.6Very high88.7Confident89 Ų8920.6 Ų20.639%0.38710%0.102SC..Hα-helixtrans-61.6-36.3174.1-77.1172.7-179.4175.20112.4T268 Q269 Y275 S276 L317T268-K272 HydrophobicContact CG2-CD 4.22Å; T268-K272 WeakPolarHBondContact O-CB 3.48Å; T268-K272 VanDerWaalsContact O-CG 3.27Å; T268-K272 WeakPolarHBondContact O-CG 3.16Å; T268-K272 PolarHBondContact O-N 3.08Å; Q269-K272 PolarHBondContact O-N 3.33Å; K272-Y275 WeakPolarHBondContact O-CB 3.41Å; K272-S276 PolarHBondContact O-N 3.43Å; K272-L317 HydrophobicContact CG-CD1 4.15Å; K272-L317 HydrophobicContact CG-CD2 4.4Å
273L95Very high90.2Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-67-47.3171.9174.366.4000111.1L154 F158 L213 A216 T217 V248 Q269 I270 I271 Y275 S276 A277L154-L273 HydrophobicContact CD1-CD2 3.79Å; L154-L273 HydrophobicContact CD2-CD2 4.24Å; F158-L273 HydrophobicContact CE1-CD2 4.32Å; F158-L273 HydrophobicContact CZ-CD2 4.22Å; L213-L273 HydrophobicContact CD2-CD2 3.83Å; A216-L273 HydrophobicContact CB-CD1 3.91Å; T217-L273 WeakPolarHBondContact OG1-CA 3.47Å; V248-L273 HydrophobicContact CG1-CD2 4.31Å; V248-L273 HydrophobicContact CG1-CG 4.39Å; Q269-L273 PolarHBondContact O-N 3.37Å; I270-L273 WeakPolarHBondContact O-CB 3.39Å; I270-L273 PolarHBondContact O-N 3.47Å; I271-L273 VanDerWaalsContact C-N 3.29Å; I271-L273 PolarHBondContact O-N 2.86Å; L273-Y275 VanDerWaalsContact C-N 3.27Å; L273-Y275 PolarHBondContact O-N 2.79Å; L273-S276 PolarHBondContact O-N 3.35Å; L273-S276 VanDerWaalsContact O-N 3.14Å; L273-S276 PolarHBondContact O-OG 3.35Å; L273-A277 PolarHBondContact O-N 3.27Å
274Q94.7Very high91.2Very high8 Ų818.8 Ų18.84%0.03710%0.096CC..Hα-helixtrans-60.6-36.7176.8-72.4175.3-38.600112V248 L249 S251 I270 I271 A277 L278 I306V248-Q274 HydrophobicContact CG1-CG 4.22Å; V248-Q274 PolarHBondContact O-NE2 3.13Å; L249-Q274 HydrophobicContact CD2-CB 4.18Å; L249-Q274 WeakPolarHBondContact CD2-O 3.48Å; S251-Q274 PolarHBondContact O-NE2 2.9Å; I270-Q274 HydrophobicContact CG2-CG 4.47Å; I270-Q274 WeakPolarHBondContact O-CG 3.27Å; I270-Q274 PolarHBondContact O-N 3.02Å; I271-Q274 CarbonylContact O-C 3.59Å; I271-Q274 PolarHBondContact O-N 3.29Å; Q274-A277 WeakPolarHBondContact O-CB 3.2Å; Q274-A277 PolarHBondContact O-N 2.92Å; Q274-L278 WeakPolarHBondContact O-CG 3.38Å; Q274-L278 PolarHBondContact O-N 2.83Å; Q274-I306 HydrophobicContact CB-CD1 3.97Å; Q274-I306 HydrophobicContact CB-CG1 4.31Å; Q274-I306 HydrophobicContact CB-CG2 4.39Å; Q274-I306 HydrophobicContact CG-CD1 4.42Å
275Y95.1Very high91.8Very high39 Ų3917.8 Ų17.815%0.1539%0.091CC..Hα-helixtrans-58.5-49.7171.5175.5-120.6000112.3Y221 I271 K272 L273 A277 L278 Q279 D320 M321 V324Y221-Y275 VanDerWaalsContact OH-CD1 3.27Å; Y221-Y275 WeakPolarHBondContact OH-CD1 3.35Å; Y221-Y275 VanDerWaalsContact OH-CE1 3.31Å; Y221-Y275 WeakPolarHBondContact OH-CE1 3.42Å; I271-Y275 WeakPolarHBondContact O-CB 3.48Å; I271-Y275 PolarHBondContact O-N 3.02Å; K272-Y275 WeakPolarHBondContact O-CB 3.41Å; L273-Y275 VanDerWaalsContact C-N 3.27Å; L273-Y275 PolarHBondContact O-N 2.79Å; Y275-A277 PolarHBondContact O-N 3.4Å; Y275-L278 WeakPolarHBondContact O-CB 3.31Å; Y275-L278 PolarHBondContact O-N 3.14Å; Y275-Q279 HydrophobicContact CE1-CG 4.36Å; Y275-Q279 HydrophobicContact CE2-CG 4.3Å; Y275-Q279 VanDerWaalsContact CZ-NE2 3.27Å; Y275-Q279 WeakPolarHBondContact O-CG 3.49Å; Y275-Q279 PolarHBondContact O-N 3.35Å; Y275-Q279 PolarHBondContact OH-NE2 2.88Å; Y275-Q279 VanDerWaalsContact OH-NE2 3.15Å; Y275-D320 HydrophobicContact CE2-CB 4.03Å; Y275-M321 HydrophobicContact CD1-CE 4.47Å; Y275-M321 HydrophobicContact CD2-CE 2.96Å; Y275-M321 HydrophobicContact CD2-SD 3.7Å; Y275-M321 HydrophobicContact CE2-CE 3.54Å; Y275-M321 HydrophobicContact CE2-SD 4.48Å; Y275-M321 HydrophobicContact CG-CE 3.48Å; Y275-M321 VanDerWaalsContact CG-CE 3.48Å; Y275-M321 HydrophobicContact CG-SD 4.41Å; Y275-V324 HydrophobicContact CD2-CG2 3.99Å; Y275-V324 HydrophobicContact CE2-CG2 3.39Å
276S95.7Very high92.2Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-62-34.2177.472.20000112.1T220 K272 L273 Q279 F280T220-S276 WeakPolarHBondContact CB-OG 3.43Å; K272-S276 PolarHBondContact O-N 3.43Å; L273-S276 PolarHBondContact O-N 3.35Å; L273-S276 VanDerWaalsContact O-N 3.14Å; L273-S276 PolarHBondContact O-OG 3.35Å; S276-Q279 PolarHBondContact O-N 3.24Å; S276-F280 PolarHBondContact O-N 2.98Å
277A95.5Very high92.5Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-66.8-37.8172.500000112.4Y151 I245 L249 L273 Q274 Y275 F280 I281Y151-A277 HydrophobicContact CE1-CB 4.45Å; I245-A277 HydrophobicContact CG2-CB 4.01Å; L249-A277 HydrophobicContact CD2-CB 3.8Å; L249-A277 HydrophobicContact CG-CB 4.1Å; L273-A277 PolarHBondContact O-N 3.27Å; Q274-A277 WeakPolarHBondContact O-CB 3.2Å; Q274-A277 PolarHBondContact O-N 2.92Å; Y275-A277 PolarHBondContact O-N 3.4Å; A277-F280 WeakPolarHBondContact O-CB 3.49Å; A277-F280 PolarHBondContact O-N 2.94Å; A277-I281 PolarHBondContact O-N 2.84Å; A277-I281 VanDerWaalsContact O-N 3.1Å
278L95.3Very high92.6Very high1 Ų121.4 Ų21.41%0.00510%0.102CC..Hα-helixtrans-66.5-39172.4-70.1176.4000112.1L249 Q274 Y275 F280 I281 L282 L299 V303 I306 M321 V324 F328L249-L278 HydrophobicContact CD1-CD2 3.92Å; L249-L278 HydrophobicContact CD2-CD2 3.72Å; L249-L278 HydrophobicContact CD2-CG 3.71Å; L249-L278 HydrophobicContact CG-CD2 4.47Å; Q274-L278 WeakPolarHBondContact O-CG 3.38Å; Q274-L278 PolarHBondContact O-N 2.83Å; Y275-L278 WeakPolarHBondContact O-CB 3.31Å; Y275-L278 PolarHBondContact O-N 3.14Å; L278-F280 VanDerWaalsContact C-N 3.31Å; L278-F280 PolarHBondContact O-N 3.39Å; L278-I281 PolarHBondContact O-N 3.37Å; L278-L282 WeakPolarHBondContact O-CB 3.49Å; L278-L282 PolarHBondContact O-N 3.26Å; L278-L299 HydrophobicContact CD2-CD1 3.83Å; L278-V303 HydrophobicContact CD1-CG2 4.11Å; L278-V303 HydrophobicContact CD2-CG2 3.65Å; L278-I306 HydrophobicContact CD1-CD1 4.25Å; L278-M321 HydrophobicContact CD1-SD 4.39Å; L278-V324 HydrophobicContact CB-CG1 4.25Å; L278-F328 HydrophobicContact CD2-CE2 4.42Å
279Q95.5Very high92.4Very high22 Ų2222 Ų2210%0.10311%0.105CC..Hα-helixtrans-60.2-42.6173.5-66.7-64.9-23.300110.9Y221 I224 Y275 S276 I281 L282 T283Y221-Q279 HydrophobicContact CE1-CG 4.42Å; I224-Q279 HydrophobicContact CD1-CB 4.11Å; Y275-Q279 HydrophobicContact CE1-CG 4.36Å; Y275-Q279 HydrophobicContact CE2-CG 4.3Å; Y275-Q279 VanDerWaalsContact CZ-NE2 3.27Å; Y275-Q279 WeakPolarHBondContact O-CG 3.49Å; Y275-Q279 PolarHBondContact O-N 3.35Å; Y275-Q279 PolarHBondContact OH-NE2 2.88Å; Y275-Q279 VanDerWaalsContact OH-NE2 3.15Å; S276-Q279 PolarHBondContact O-N 3.24Å; Q279-I281 PolarHBondContact O-N 2.98Å; Q279-L282 PolarHBondContact O-N 3.3Å; Q279-T283 WeakPolarHBondContact O-CB 3.22Å; Q279-T283 PolarHBondContact O-N 3.5Å; Q279-T283 PolarHBondContact O-OG1 3.47Å; Q279-T283 VanDerWaalsContact O-OG1 3.07Å
280F95.3Very high92.1Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-56.1-50.3173.2-177.8-76.9000111.4T220 I223 I224 F227 L234 M241 I245 S276 A277 L278 L282 T283 F284 I288T220-F280 HydrophobicContact CG2-CB 4.47Å; I223-F280 HydrophobicContact CG2-CE2 4.1Å; I224-F280 HydrophobicContact CD1-CB 3.97Å; I224-F280 HydrophobicContact CG1-CB 3.95Å; I224-F280 HydrophobicContact CG1-CD2 3.74Å; I224-F280 HydrophobicContact CG1-CG 4.27Å; F227-F280 AromaticContact CD2-CE2 3.79Å; F227-F280 HydrophobicContact CD2-CE2 3.79Å; F227-F280 HydrophobicContact CD2-CZ 4.21Å; F227-F280 HydrophobicContact CE2-CE2 4.05Å; F227-F280 HydrophobicContact CE2-CZ 4.35Å; L234-F280 HydrophobicContact CD1-CZ 3.99Å; M241-F280 HydrophobicContact CE-CZ 4.35Å; I245-F280 HydrophobicContact CD1-CD1 3.4Å; I245-F280 HydrophobicContact CD1-CD2 4.18Å; I245-F280 HydrophobicContact CD1-CE1 3.42Å; I245-F280 VanDerWaalsContact CD1-CE1 3.42Å; I245-F280 HydrophobicContact CD1-CE2 4.17Å; I245-F280 HydrophobicContact CD1-CG 3.82Å; I245-F280 HydrophobicContact CD1-CZ 3.83Å; S276-F280 PolarHBondContact O-N 2.98Å; A277-F280 WeakPolarHBondContact O-CB 3.49Å; A277-F280 PolarHBondContact O-N 2.94Å; L278-F280 VanDerWaalsContact C-N 3.31Å; L278-F280 PolarHBondContact O-N 3.39Å; F280-L282 VanDerWaalsContact C-N 3.28Å; F280-L282 PolarHBondContact O-N 3.38Å; F280-T283 PolarHBondContact O-N 3.2Å; F280-F284 AromaticContact CD1-CD2 3.88Å; F280-F284 HydrophobicContact CD1-CD2 3.88Å; F280-F284 AromaticContact CD2-CD2 3.88Å; F280-F284 HydrophobicContact CD2-CD2 3.88Å; F280-F284 AromaticContact CD2-CE2 3.75Å; F280-F284 HydrophobicContact CD2-CE2 3.75Å; F280-F284 AromaticContact CE1-CD2 3.79Å; F280-F284 HydrophobicContact CE1-CD2 3.79Å; F280-F284 AromaticContact CE2-CD2 3.8Å; F280-F284 HydrophobicContact CE2-CD2 3.8Å; F280-F284 AromaticContact CE2-CE2 3.71Å; F280-F284 HydrophobicContact CE2-CE2 3.71Å; F280-F284 AromaticContact CG-CD2 3.91Å; F280-F284 HydrophobicContact CG-CD2 3.91Å; F280-F284 HydrophobicContact CG-CE2 4.18Å; F280-F284 AromaticContact CZ-CD2 3.75Å; F280-F284 HydrophobicContact CZ-CD2 3.75Å; F280-F284 HydrophobicContact CZ-CE2 4.11Å; F280-F284 WeakPolarHBondContact O-CD2 3.48Å; F280-F284 PolarHBondContact O-N 3.37Å; F280-F284 VanDerWaalsContact O-N 3.15Å; F280-I288 HydrophobicContact CD1-CD1 4.4Å; F280-I288 HydrophobicContact CE1-CD1 4.29Å
281I93.7Very high91.6Very high2 Ų231.5 Ų31.51%0.0115%0.153CC..Hα-helixtrans-60.2-41.4179.9-68.5-175.1000111.5I245 L246 L249 A277 L278 Q279 F284 N285 I288 L299 F328 M333I245-I281 HydrophobicContact CG2-CD1 4.19Å; I245-I281 HydrophobicContact CG2-CG1 4.13Å; L246-I281 HydrophobicContact CD2-CD1 3.83Å; L249-I281 HydrophobicContact CD1-CD1 3.21Å; L249-I281 HydrophobicContact CD1-CG1 4.31Å; A277-I281 PolarHBondContact O-N 2.84Å; A277-I281 VanDerWaalsContact O-N 3.1Å; L278-I281 PolarHBondContact O-N 3.37Å; Q279-I281 PolarHBondContact O-N 2.98Å; I281-F284 CarbonylContact O-C 3.58Å; I281-N285 VanDerWaalsContact O-CA 3.27Å; I281-N285 WeakPolarHBondContact O-CA 3.41Å; I281-N285 PolarHBondContact O-N 3.33Å; I281-N285 VanDerWaalsContact O-N 3.1Å; I281-I288 HydrophobicContact CB-CD1 4.26Å; I281-I288 HydrophobicContact CG1-CD1 4.21Å; I281-I288 HydrophobicContact CG2-CD1 4.29Å; I281-L299 HydrophobicContact CD1-CD1 3.87Å; I281-L299 HydrophobicContact CG2-CD2 3.97Å; I281-F328 HydrophobicContact CG2-CE1 4.11Å; I281-F328 HydrophobicContact CG2-CZ 4.14Å; I281-M333 HydrophobicContact CG2-CE 3.94Å; I281-M333 HydrophobicContact CG2-SD 3.79Å
282L93.5Very high91Very high17 Ų1734.3 Ų34.39%0.08917%0.168CC..Hα-helixtrans-67.1-44.5-179.4-179.269.8000112.3L278 Q279 F280 F284 N285 K327 F328L278-L282 WeakPolarHBondContact O-CB 3.49Å; L278-L282 PolarHBondContact O-N 3.26Å; Q279-L282 PolarHBondContact O-N 3.3Å; F280-L282 VanDerWaalsContact C-N 3.28Å; F280-L282 PolarHBondContact O-N 3.38Å; L282-F284 VanDerWaalsContact C-N 3.29Å; L282-F284 PolarHBondContact O-N 2.93Å; L282-N285 WeakPolarHBondContact O-CB 3.37Å; L282-N285 PolarHBondContact O-N 3.2Å; L282-N285 PolarHBondContact O-ND2 3.38Å; L282-K327 HydrophobicContact CD1-CB 3.84Å; L282-K327 HydrophobicContact CD2-CB 3.38Å; L282-K327 HydrophobicContact CD2-CD 3.42Å; L282-K327 VanDerWaalsContact CD2-CD 3.42Å; L282-K327 HydrophobicContact CD2-CG 4.03Å; L282-K327 HydrophobicContact CG-CB 4.2Å; L282-F328 HydrophobicContact CB-CE1 4.37Å; L282-F328 HydrophobicContact CB-CZ 4.21Å; L282-F328 HydrophobicContact CD1-CD1 3.98Å; L282-F328 HydrophobicContact CD1-CE1 4.1Å; L282-F328 HydrophobicContact CD1-CG 4.27Å
283T94.1Very high90.3Very high37 Ų3735.7 Ų35.723%0.22717%0.174CC..Hα-helixtrans-64.9-31.8179.9-61.80000112.8I224 E228 R231 Q279 F280I224-T283 HydrophobicContact CG2-CG2 4.01Å; E228-T283 HydrophobicContact CG-CG2 3.85Å; E228-T283 VanDerWaalsContact OE1-CG2 3.28Å; E228-T283 WeakPolarHBondContact OE1-CG2 3.21Å; R231-T283 PolarHBondContact NH1-O 3.12Å; R231-T283 PolarHBondContact NH2-O 2.78Å; Q279-T283 WeakPolarHBondContact O-CB 3.22Å; Q279-T283 PolarHBondContact O-N 3.5Å; Q279-T283 PolarHBondContact O-OG1 3.47Å; Q279-T283 VanDerWaalsContact O-OG1 3.07Å; F280-T283 PolarHBondContact O-N 3.2Å
284F92.9Very high89.6Confident0 Ų043.7 Ų43.70%021%0.209CC..THydrogen-bonded Turntrans-111.629.4-178.3-54.3-62.8000112.5I224 F227 E228 R231 L234 F280 I281 L282 E286 E287 I288I224-F284 HydrophobicContact CB-CE2 4.33Å; I224-F284 HydrophobicContact CG1-CE2 4.16Å; I224-F284 HydrophobicContact CG2-CE2 4.19Å; I224-F284 HydrophobicContact CG2-CZ 4.18Å; F227-F284 HydrophobicContact CB-CE1 3.64Å; F227-F284 HydrophobicContact CB-CE2 4.06Å; F227-F284 HydrophobicContact CB-CZ 3.37Å; F227-F284 HydrophobicContact CG-CZ 4.49Å; E228-F284 HydrophobicContact CG-CE1 4.33Å; E228-F284 HydrophobicContact CG-CZ 4.19Å; R231-F284 VanDerWaalsContact CZ-CD1 3.47Å; R231-F284 VanDerWaalsContact CZ-CE1 3.45Å; L234-F284 HydrophobicContact CD2-CB 4Å; L234-F284 HydrophobicContact CD2-CD1 3.21Å; L234-F284 HydrophobicContact CD2-CD2 4.45Å; L234-F284 HydrophobicContact CD2-CE1 3.81Å; L234-F284 HydrophobicContact CD2-CG 3.64Å; F280-F284 AromaticContact CD1-CD2 3.88Å; F280-F284 HydrophobicContact CD1-CD2 3.88Å; F280-F284 AromaticContact CD2-CD2 3.88Å; F280-F284 HydrophobicContact CD2-CD2 3.88Å; F280-F284 AromaticContact CD2-CE2 3.75Å; F280-F284 HydrophobicContact CD2-CE2 3.75Å; F280-F284 AromaticContact CE1-CD2 3.79Å; F280-F284 HydrophobicContact CE1-CD2 3.79Å; F280-F284 AromaticContact CE2-CD2 3.8Å; F280-F284 HydrophobicContact CE2-CD2 3.8Å; F280-F284 AromaticContact CE2-CE2 3.71Å; F280-F284 HydrophobicContact CE2-CE2 3.71Å; F280-F284 AromaticContact CG-CD2 3.91Å; F280-F284 HydrophobicContact CG-CD2 3.91Å; F280-F284 HydrophobicContact CG-CE2 4.18Å; F280-F284 AromaticContact CZ-CD2 3.75Å; F280-F284 HydrophobicContact CZ-CD2 3.75Å; F280-F284 HydrophobicContact CZ-CE2 4.11Å; F280-F284 WeakPolarHBondContact O-CD2 3.48Å; F280-F284 PolarHBondContact O-N 3.37Å; F280-F284 VanDerWaalsContact O-N 3.15Å; I281-F284 CarbonylContact O-C 3.58Å; L282-F284 VanDerWaalsContact C-N 3.29Å; L282-F284 PolarHBondContact O-N 2.93Å; F284-E286 VanDerWaalsContact C-N 3.33Å; F284-E286 PolarHBondContact O-N 2.92Å; F284-E287 WeakPolarHBondContact CA-OE2 3.37Å; F284-E287 PolarHBondContact O-N 3.18Å; F284-I288 HydrophobicContact CB-CD1 4.01Å; F284-I288 HydrophobicContact CB-CG1 4.36Å; F284-I288 WeakPolarHBondContact O-CB 3.36Å; F284-I288 WeakPolarHBondContact O-CD1 3.5Å; F284-I288 WeakPolarHBondContact O-CG1 3.26Å; F284-I288 PolarHBondContact O-N 2.89Å
285N90.9Very high88.6Confident28 Ų2845 Ų4515%0.1522%0.221CC..Hα-helixtrans-60.2-39.2-170.570.889.4000113.3I281 L282 V289 S332 M333I281-N285 VanDerWaalsContact O-CA 3.27Å; I281-N285 WeakPolarHBondContact O-CA 3.41Å; I281-N285 PolarHBondContact O-N 3.33Å; I281-N285 VanDerWaalsContact O-N 3.1Å; L282-N285 WeakPolarHBondContact O-CB 3.37Å; L282-N285 PolarHBondContact O-N 3.2Å; L282-N285 PolarHBondContact O-ND2 3.38Å; N285-V289 WeakPolarHBondContact O-CB 3.25Å; N285-V289 WeakPolarHBondContact O-CG2 3.5Å; N285-V289 PolarHBondContact O-N 2.95Å; N285-S332 PolarHBondContact OD1-OG 3.22Å; N285-M333 HydrophobicContact CB-CG 4.09Å; N285-M333 HydrophobicContact CB-SD 3.81Å
286E88.3Confident87.7Confident133 Ų13343.3 Ų43.362%0.62122%0.215SC*.Hα-helixtrans-66.8-49.9-178.7-63.2-174.6169.800110.7F284 I288 V289 D290F284-E286 VanDerWaalsContact C-N 3.33Å; F284-E286 PolarHBondContact O-N 2.92Å; E286-I288 VanDerWaalsContact C-N 3.29Å; E286-I288 PolarHBondContact O-N 3.29Å; E286-V289 PolarHBondContact O-N 3.45Å; E286-D290 PolarHBondContact O-N 3.34Å; E286-D290 VanDerWaalsContact O-N 3.08Å
287E88.1Confident87Confident29 Ų2948.9 Ų48.914%0.13624%0.241CC..Hα-helixtrans-63.7-35.9179.4-60.591.6157.500112.4R231 L234 M238 F284 F291R231-E287 WeakPolarHBondContact CD-OE1 3.42Å; R231-E287 IonicContact CZ-OE1 3Å; R231-E287 IonicContact NE-OE1 2.66Å; R231-E287 VanDerWaalsContact NH1-CD 3.33Å; R231-E287 IonicContact NH1-OE1 2.96Å; R231-E287 PolarHBondContact NH1-OE1 3.46Å; R231-E287 IonicContact NH1-OE2 2.6Å; R231-E287 PolarHBondContact NH1-OE2 3.16Å; L234-E287 HydrophobicContact CD2-CB 4.43Å; L234-E287 HydrophobicContact CD2-CG 4.31Å; M238-E287 HydrophobicContact CE-CB 3.77Å; F284-E287 WeakPolarHBondContact CA-OE2 3.37Å; F284-E287 PolarHBondContact O-N 3.18Å; E287-F291 VanDerWaalsContact O-CB 3.25Å; E287-F291 WeakPolarHBondContact O-CB 3.34Å; E287-F291 PolarHBondContact O-N 3.48Å; E287-F291 VanDerWaalsContact O-N 3.07Å
288I86.8Confident86.4Confident3 Ų350.6 Ų50.62%0.01526%0.259CS..Hα-helixtrans-70.1-42.4178-70.1168.4000111.3M238 L242 F280 I281 F284 E286 D290 F291 N292M238-I288 HydrophobicContact CE-CG1 3.76Å; M238-I288 HydrophobicContact SD-CG1 3.85Å; L242-I288 HydrophobicContact CD1-CD1 4.13Å; L242-I288 HydrophobicContact CD1-CG1 4.16Å; L242-I288 HydrophobicContact CD1-CG2 3.98Å; L242-I288 HydrophobicContact CD2-CG2 4.02Å; F280-I288 HydrophobicContact CD1-CD1 4.4Å; F280-I288 HydrophobicContact CE1-CD1 4.29Å; I281-I288 HydrophobicContact CB-CD1 4.26Å; I281-I288 HydrophobicContact CG1-CD1 4.21Å; I281-I288 HydrophobicContact CG2-CD1 4.29Å; F284-I288 HydrophobicContact CB-CD1 4.01Å; F284-I288 HydrophobicContact CB-CG1 4.36Å; F284-I288 WeakPolarHBondContact O-CB 3.36Å; F284-I288 WeakPolarHBondContact O-CD1 3.5Å; F284-I288 WeakPolarHBondContact O-CG1 3.26Å; F284-I288 PolarHBondContact O-N 2.89Å; E286-I288 VanDerWaalsContact C-N 3.29Å; E286-I288 PolarHBondContact O-N 3.29Å; I288-D290 VanDerWaalsContact C-N 3.31Å; I288-D290 PolarHBondContact O-N 3.32Å; I288-F291 PolarHBondContact O-N 3.04Å; I288-N292 PolarHBondContact O-N 3.36Å
289V84.9Confident86.2Confident21 Ų2150.7 Ų50.713%0.12726%0.259CS..Hα-helixtrans-63.8-38.6178.3168.60000110.9N285 E286 K293 M333 Y336N285-V289 WeakPolarHBondContact O-CB 3.25Å; N285-V289 WeakPolarHBondContact O-CG2 3.5Å; N285-V289 PolarHBondContact O-N 2.95Å; E286-V289 PolarHBondContact O-N 3.45Å; V289-K293 HydrophobicContact CG1-CG 4.4Å; V289-K293 WeakPolarHBondContact O-CE 3.48Å; V289-K293 WeakPolarHBondContact O-CG 3.11Å; V289-M333 HydrophobicContact CG2-CE 4.36Å; V289-M333 HydrophobicContact CG2-CG 3.53Å; V289-M333 HydrophobicContact CG2-SD 4.32Å; V289-Y336 HydrophobicContact CG2-CE2 4.26Å
290D81.9Confident86Confident133 Ų13349.7 Ų49.771%0.71126%0.255SS*.Hα-helixtrans-68.9-36.6175.5-72.8-18.9000112.1E286 I288E286-D290 PolarHBondContact O-N 3.34Å; E286-D290 VanDerWaalsContact O-N 3.08Å; I288-D290 VanDerWaalsContact C-N 3.31Å; I288-D290 PolarHBondContact O-N 3.32Å
291F81.3Confident85.7Confident98 Ų9858.4 Ų58.443%0.4329%0.288SS..Hα-helixtrans-75.8-49-176-175.2-97.2000113.7M238 L242 E287 I288M238-F291 HydrophobicContact CG-CB 4.19Å; M238-F291 HydrophobicContact CG-CD1 3.94Å; M238-F291 HydrophobicContact CG-CD2 4.3Å; M238-F291 HydrophobicContact CG-CG 3.85Å; L242-F291 HydrophobicContact CD2-CD1 3.86Å; L242-F291 HydrophobicContact CD2-CE1 4.45Å; E287-F291 VanDerWaalsContact O-CB 3.25Å; E287-F291 WeakPolarHBondContact O-CB 3.34Å; E287-F291 PolarHBondContact O-N 3.48Å; E287-F291 VanDerWaalsContact O-N 3.07Å; I288-F291 PolarHBondContact O-N 3.04Å
292N78.7Confident85.5Confident60 Ų6058.8 Ų58.832%0.32129%0.29SS..  trans-150.775.2-173.5-163.6-12.6000114.1L242 I288 K294 A295 A296L242-N292 HydrophobicContact CD2-CB 4.02Å; I288-N292 PolarHBondContact O-N 3.36Å; N292-K294 VanDerWaalsContact C-N 3.32Å; N292-K294 PolarHBondContact O-N 3.49Å; N292-A295 HydrophobicContact CB-CB 4.22Å; N292-A295 VanDerWaalsContact ND2-CB 3.32Å; N292-A295 WeakPolarHBondContact ND2-CB 3.3Å; N292-A295 PolarHBondContact O-N 3.47Å; N292-A295 WeakPolarHBondContact OD1-CB 3.4Å; N292-A295 PolarHBondContact OD1-N 3.45Å; N292-A295 VanDerWaalsContact OD1-N 3.11Å; N292-A296 PolarHBondContact O-N 3.42Å
293K79.8Confident85.4Confident118 Ų11858.1 Ų58.151%0.51329%0.287SS..Hα-helixtrans-51.3-46.1175.8-63.2-172.9179.6178.10113.3V289 A295 A296 E297V289-K293 HydrophobicContact CG1-CG 4.4Å; V289-K293 WeakPolarHBondContact O-CE 3.48Å; V289-K293 WeakPolarHBondContact O-CG 3.11Å; K293-A295 PolarHBondContact O-N 2.96Å; K293-A296 WeakPolarHBondContact O-CB 3.45Å; K293-A296 PolarHBondContact O-N 3.28Å; K293-A296 VanDerWaalsContact O-N 3.14Å; K293-E297 PolarHBondContact O-N 3.16Å
294K79Confident85.2Confident169 Ų16957 Ų5774%0.73528%0.279SS*.Hα-helixtrans-62.4-40.4-176.8-70.9-173.9178.4-1790112.6N292 A296 E297N292-K294 VanDerWaalsContact C-N 3.32Å; N292-K294 PolarHBondContact O-N 3.49Å; K294-A296 VanDerWaalsContact C-N 3.28Å; K294-A296 PolarHBondContact O-N 3.26Å; K294-E297 WeakPolarHBondContact O-CB 3.06Å; K294-E297 PolarHBondContact O-N 2.85Å
295A74.2Confident85Confident35 Ų3560.8 Ų60.829%0.28930%0.299SS..Hα-helixtrans-71.7-26.8179.400000112.2L246 N292 K293L246-A295 HydrophobicContact CD1-CB 3.42Å; L246-A295 VanDerWaalsContact CD1-CB 3.42Å; N292-A295 HydrophobicContact CB-CB 4.22Å; N292-A295 VanDerWaalsContact ND2-CB 3.32Å; N292-A295 WeakPolarHBondContact ND2-CB 3.3Å; N292-A295 PolarHBondContact O-N 3.47Å; N292-A295 WeakPolarHBondContact OD1-CB 3.4Å; N292-A295 PolarHBondContact OD1-N 3.45Å; N292-A295 VanDerWaalsContact OD1-N 3.11Å; K293-A295 PolarHBondContact O-N 2.96Å
296A75.2Confident85Confident3 Ų359.6 Ų59.63%0.02529%0.293CS..Hα-helixtrans-74.5-20.1173.900000113.8N292 K293 K294 G298 L299 M333 Y336N292-A296 PolarHBondContact O-N 3.42Å; K293-A296 WeakPolarHBondContact O-CB 3.45Å; K293-A296 PolarHBondContact O-N 3.28Å; K293-A296 VanDerWaalsContact O-N 3.14Å; K294-A296 VanDerWaalsContact C-N 3.28Å; K294-A296 PolarHBondContact O-N 3.26Å; A296-G298 PolarHBondContact O-N 3.25Å; A296-L299 WeakPolarHBondContact O-CB 2.96Å; A296-L299 PolarHBondContact O-N 3.44Å; A296-M333 HydrophobicContact CB-CE 3.7Å; A296-Y336 HydrophobicContact CB-CD2 4.4Å; A296-Y336 HydrophobicContact CB-CE2 3.91Å
297E81.8Confident85Confident117 Ų11753.2 Ų53.255%0.54726%0.263SS..THydrogen-bonded Turntrans-63.2-28178.3-71.3174.5-17600113.1K293 K294 L299 P300 Y336K293-E297 PolarHBondContact O-N 3.16Å; K294-E297 WeakPolarHBondContact O-CB 3.06Å; K294-E297 PolarHBondContact O-N 2.85Å; E297-L299 VanDerWaalsContact C-N 3.32Å; E297-P300 WeakPolarHBondContact O-CD 3.37Å; E297-Y336 HydrophobicContact CG-CD1 3.92Å; E297-Y336 HydrophobicContact CG-CE1 3.89Å
298G83.8Confident85Confident37 Ų3754.7 Ų54.738%0.38128%0.28SS..THydrogen-bonded Turntrans-77.2-14.717500000114.4A296 P300 R301 S302A296-G298 PolarHBondContact O-N 3.25Å; G298-P300 VanDerWaalsContact C-CD 3.48Å; G298-R301 PolarHBondContact O-N 2.93Å; G298-S302 PolarHBondContact O-N 3.32Å; G298-S302 PolarHBondContact O-OG 3.36Å
299L90Very high85Confident2 Ų256.6 Ų56.61%0.0129%0.293CS..Hα-helixtrans-54.8-45.2-173.4-179.666.4000113.7L249 L278 I281 A296 E297 R301 S302 V303 F328 M333L249-L299 HydrophobicContact CD1-CD1 4.12Å; L278-L299 HydrophobicContact CD2-CD1 3.83Å; I281-L299 HydrophobicContact CD1-CD1 3.87Å; I281-L299 HydrophobicContact CG2-CD2 3.97Å; A296-L299 WeakPolarHBondContact O-CB 2.96Å; A296-L299 PolarHBondContact O-N 3.44Å; E297-L299 VanDerWaalsContact C-N 3.32Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 3.46Å; L299-S302 WeakPolarHBondContact O-CB 3.34Å; L299-S302 PolarHBondContact O-N 2.98Å; L299-V303 HydrophobicContact CD1-CG2 4.15Å; L299-V303 HydrophobicContact CG-CG2 4.26Å; L299-V303 WeakPolarHBondContact O-CG2 3.29Å; L299-V303 PolarHBondContact O-N 3.5Å; L299-F328 HydrophobicContact CD2-CE1 3.89Å; L299-F328 HydrophobicContact CD2-CZ 4.02Å; L299-M333 HydrophobicContact CD2-CE 3.57Å; L299-M333 HydrophobicContact CD2-SD 4.33Å
300P90.9Very high85.2Confident1 Ų155.9 Ų55.91%0.00629%0.289CS..Hα-helixtrans-61.5-41.2-176.9-21.232.7000112.4E297 G298 S302 V303 F304 Y336 F337 V340E297-P300 WeakPolarHBondContact O-CD 3.37Å; G298-P300 VanDerWaalsContact C-CD 3.48Å; P300-S302 PolarHBondContact O-N 3.36Å; P300-V303 PolarHBondContact O-N 3.44Å; P300-F304 HydrophobicContact CB-CE2 4.19Å; P300-F304 WeakPolarHBondContact O-CD2 3.24Å; P300-F304 VanDerWaalsContact O-CE2 3.29Å; P300-F304 WeakPolarHBondContact O-CE2 3.44Å; P300-F304 PolarHBondContact O-N 2.95Å; P300-Y336 WeakPolarHBondContact CG-O 3.41Å; P300-F337 HydrophobicContact CB-CD1 3.81Å; P300-F337 HydrophobicContact CB-CE1 3.85Å; P300-F337 HydrophobicContact CB-CG 4.27Å; P300-F337 HydrophobicContact CB-CZ 4.33Å; P300-F337 HydrophobicContact CG-CD1 4.22Å; P300-F337 HydrophobicContact CG-CD2 4.26Å; P300-F337 HydrophobicContact CG-CE1 4.29Å; P300-F337 HydrophobicContact CG-CE2 4.33Å; P300-F337 HydrophobicContact CG-CG 4.2Å; P300-F337 HydrophobicContact CG-CZ 4.35Å; P300-V340 HydrophobicContact CB-CG1 4.21Å; P300-V340 HydrophobicContact CB-CG2 3.68Å
301R89.7Confident85.4Confident184 Ų18450.3 Ų50.369%0.69426%0.26SS*.Hα-helixtrans-62.4-43.3176.4-69.4-178.4179.5177.60.2111.5G298 L299 V303 F304 N305G298-R301 PolarHBondContact O-N 2.93Å; L299-R301 VanDerWaalsContact C-N 3.32Å; L299-R301 PolarHBondContact O-N 3.46Å; R301-V303 VanDerWaalsContact C-N 3.35Å; R301-V303 PolarHBondContact O-N 3.28Å; R301-F304 PolarHBondContact O-N 3.43Å; R301-N305 VanDerWaalsContact O-CG 3.27Å; R301-N305 PolarHBondContact O-N 2.84Å
302S90.4Very high85.5Confident10 Ų1048.9 Ų48.97%0.0726%0.262CS..Hα-helixtrans-59.5-45.4175.4-58.20000111.4L249 G298 L299 P300 F304 N305 I306L249-S302 WeakPolarHBondContact O-CB 3.45Å; G298-S302 PolarHBondContact O-N 3.32Å; G298-S302 PolarHBondContact O-OG 3.36Å; L299-S302 WeakPolarHBondContact O-CB 3.34Å; L299-S302 PolarHBondContact O-N 2.98Å; P300-S302 PolarHBondContact O-N 3.36Å; S302-F304 PolarHBondContact O-N 2.76Å; S302-N305 PolarHBondContact O-N 3.31Å; S302-I306 WeakPolarHBondContact O-CD1 3.38Å; S302-I306 WeakPolarHBondContact O-CG1 3.39Å; S302-I306 PolarHBondContact O-N 2.93Å
303V91.8Very high85.7Confident2 Ų252 Ų521%0.01228%0.275CS..Hα-helixtrans-60.2-42.6177.1177.10000111.9L278 L299 P300 R301 I306 I307 L325L278-V303 HydrophobicContact CD1-CG2 4.11Å; L278-V303 HydrophobicContact CD2-CG2 3.65Å; L299-V303 HydrophobicContact CD1-CG2 4.15Å; L299-V303 HydrophobicContact CG-CG2 4.26Å; L299-V303 WeakPolarHBondContact O-CG2 3.29Å; L299-V303 PolarHBondContact O-N 3.5Å; P300-V303 PolarHBondContact O-N 3.44Å; R301-V303 VanDerWaalsContact C-N 3.35Å; R301-V303 PolarHBondContact O-N 3.28Å; V303-I306 PolarHBondContact O-N 3.01Å; V303-I307 HydrophobicContact CG1-CD1 3.78Å; V303-I307 HydrophobicContact CG1-CG1 4.46Å; V303-I307 VanDerWaalsContact O-CG1 3.3Å; V303-I307 WeakPolarHBondContact O-CG1 3.49Å; V303-I307 PolarHBondContact O-N 3.4Å; V303-L325 HydrophobicContact CG1-CD2 3.61Å; V303-L325 HydrophobicContact CG1-CG 4.08Å
304F88.3Confident86Confident15 Ų1549.2 Ų49.27%0.06626%0.264CS..Hα-helixtrans-67.7-40.8176.6-64.9-58.9000113.2P300 R301 S302 I306 I307 A308 V340 M344 L349 L350P300-F304 HydrophobicContact CB-CE2 4.19Å; P300-F304 WeakPolarHBondContact O-CD2 3.24Å; P300-F304 VanDerWaalsContact O-CE2 3.29Å; P300-F304 WeakPolarHBondContact O-CE2 3.44Å; P300-F304 PolarHBondContact O-N 2.95Å; R301-F304 PolarHBondContact O-N 3.43Å; S302-F304 PolarHBondContact O-N 2.76Å; F304-I306 VanDerWaalsContact C-N 3.25Å; F304-I306 PolarHBondContact O-N 3.48Å; F304-I307 PolarHBondContact O-N 3.18Å; F304-A308 VanDerWaalsContact O-CB 3.23Å; F304-A308 WeakPolarHBondContact O-CB 3.32Å; F304-A308 PolarHBondContact O-N 2.95Å; F304-V340 HydrophobicContact CD2-CB 4.37Å; F304-V340 HydrophobicContact CD2-CG1 4.39Å; F304-V340 HydrophobicContact CE2-CB 3.51Å; F304-V340 HydrophobicContact CE2-CG1 3.91Å; F304-V340 HydrophobicContact CE2-CG2 3.54Å; F304-V340 HydrophobicContact CZ-CB 4.16Å; F304-V340 HydrophobicContact CZ-CG2 3.98Å; F304-M344 HydrophobicContact CE1-CG 3.51Å; F304-M344 HydrophobicContact CE1-SD 4.29Å; F304-M344 HydrophobicContact CE2-CG 4.31Å; F304-M344 HydrophobicContact CZ-CE 4.36Å; F304-M344 HydrophobicContact CZ-CG 3.21Å; F304-M344 HydrophobicContact CZ-SD 3.67Å; F304-L349 HydrophobicContact CD1-CD2 3.9Å; F304-L349 HydrophobicContact CE1-CD2 4.45Å; F304-L349 HydrophobicContact CG-CD2 4.37Å; F304-L350 HydrophobicContact CD1-CD2 3.95Å; F304-L350 HydrophobicContact CE1-CD2 3.94Å
305N88.7Confident86.5Confident78 Ų7842.4 Ų42.442%0.41724%0.236SC..Hα-helixtrans-59.3-43.2176.5-70.7-10.9000110.2T252 R301 S302 A308 S309T252-N305 HydrophobicContact CG2-CB 3.85Å; R301-N305 VanDerWaalsContact O-CG 3.27Å; R301-N305 PolarHBondContact O-N 2.84Å; S302-N305 PolarHBondContact O-N 3.31Å; N305-A308 PolarHBondContact O-N 2.91Å; N305-S309 WeakPolarHBondContact O-CB 3.33Å; N305-S309 PolarHBondContact O-N 3.32Å; N305-S309 PolarHBondContact O-OG 2.92Å
306I90.9Very high87.3Confident3 Ų345.5 Ų45.52%0.01524%0.244CC..Hα-helixtrans-59.9-50.5175.4-64.4161.4000110.7L249 I271 Q274 L278 S302 V303 F304 A308 S309 I310L249-I306 HydrophobicContact CD2-CD1 3.8Å; I271-I306 HydrophobicContact CG2-CG2 4.02Å; Q274-I306 HydrophobicContact CB-CD1 3.97Å; Q274-I306 HydrophobicContact CB-CG1 4.31Å; Q274-I306 HydrophobicContact CB-CG2 4.39Å; Q274-I306 HydrophobicContact CG-CD1 4.42Å; L278-I306 HydrophobicContact CD1-CD1 4.25Å; S302-I306 WeakPolarHBondContact O-CD1 3.38Å; S302-I306 WeakPolarHBondContact O-CG1 3.39Å; S302-I306 PolarHBondContact O-N 2.93Å; V303-I306 PolarHBondContact O-N 3.01Å; F304-I306 VanDerWaalsContact C-N 3.25Å; F304-I306 PolarHBondContact O-N 3.48Å; I306-A308 VanDerWaalsContact C-N 3.34Å; I306-A308 PolarHBondContact O-N 3.49Å; I306-S309 PolarHBondContact O-N 3.37Å; I306-S309 VanDerWaalsContact O-N 3.17Å; I306-I310 WeakPolarHBondContact O-CG1 3.28Å; I306-I310 PolarHBondContact O-N 3.4Å
307I90Very high88.1Confident0 Ų045.8 Ų45.80%025%0.246CC..Hα-helixtrans-64-38.9-178.8-67.2169.5000112.1V303 F304 S309 I310 R318 M321 L325 L350V303-I307 HydrophobicContact CG1-CD1 3.78Å; V303-I307 HydrophobicContact CG1-CG1 4.46Å; V303-I307 VanDerWaalsContact O-CG1 3.3Å; V303-I307 WeakPolarHBondContact O-CG1 3.49Å; V303-I307 PolarHBondContact O-N 3.4Å; F304-I307 PolarHBondContact O-N 3.18Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 3.42Å; I307-I310 HydrophobicContact CG1-CD1 4.49Å; I307-I310 WeakPolarHBondContact O-CB 3.5Å; I307-I310 PolarHBondContact O-N 3.28Å; I307-R318 PolarHBondContact O-NH2 3.38Å; I307-M321 HydrophobicContact CD1-CB 4.07Å; I307-M321 HydrophobicContact CG1-CB 3.76Å; I307-M321 HydrophobicContact CG1-CG 3.91Å; I307-L325 HydrophobicContact CD1-CD1 3.49Å; I307-L325 VanDerWaalsContact CD1-CD1 3.49Å; I307-L325 HydrophobicContact CD1-CG 4.11Å; I307-L350 HydrophobicContact CB-CD2 4.49Å; I307-L350 HydrophobicContact CD1-CD2 3.73Å; I307-L350 HydrophobicContact CG2-CD2 3.9Å
308A87.3Confident88.6Confident60 Ų6040.7 Ų40.750%0.49622%0.221SC..Hα-helixtrans-66.1-32.5176.800000111.8F304 N305 I306 I310F304-A308 VanDerWaalsContact O-CB 3.23Å; F304-A308 WeakPolarHBondContact O-CB 3.32Å; F304-A308 PolarHBondContact O-N 2.95Å; N305-A308 PolarHBondContact O-N 2.91Å; I306-A308 VanDerWaalsContact C-N 3.34Å; I306-A308 PolarHBondContact O-N 3.49Å; A308-I310 VanDerWaalsContact C-N 3.29Å; A308-I310 PolarHBondContact O-N 2.85Å
309S86.1Confident89Confident42 Ų4241.2 Ų41.229%0.29421%0.213SC..THydrogen-bonded Turntrans-75.8-9.4175.1-64.20000114.3I271 N305 I306 I307 P311I271-S309 WeakPolarHBondContact CD1-O 3.43Å; N305-S309 WeakPolarHBondContact O-CB 3.33Å; N305-S309 PolarHBondContact O-N 3.32Å; N305-S309 PolarHBondContact O-OG 2.92Å; I306-S309 PolarHBondContact O-N 3.37Å; I306-S309 VanDerWaalsContact O-N 3.17Å; I307-S309 VanDerWaalsContact C-N 3.28Å; I307-S309 PolarHBondContact O-N 3.42Å; S309-P311 WeakPolarHBondContact O-CD 3Å
310I89.6Confident89.1Confident6 Ų643.8 Ų43.83%0.03123%0.227CC..SBendtrans-67.7121.9179.2-60.3173.6000109.9I271 I306 I307 A308 E314 R318 M321I271-I310 HydrophobicContact CD1-CB 4.49Å; I271-I310 HydrophobicContact CD1-CG1 4.04Å; I271-I310 HydrophobicContact CG2-CG1 4.09Å; I306-I310 WeakPolarHBondContact O-CG1 3.28Å; I306-I310 PolarHBondContact O-N 3.4Å; I307-I310 HydrophobicContact CG1-CD1 4.49Å; I307-I310 WeakPolarHBondContact O-CB 3.5Å; I307-I310 PolarHBondContact O-N 3.28Å; A308-I310 VanDerWaalsContact C-N 3.29Å; A308-I310 PolarHBondContact O-N 2.85Å; I310-E314 HydrophobicContact CG2-CB 4.13Å; I310-R318 HydrophobicContact CD1-CB 4.26Å; I310-R318 HydrophobicContact CD1-CG 4.47Å; I310-R318 HydrophobicContact CG2-CB 4.14Å; I310-R318 PolarHBondContact O-NH2 2.95Å; I310-M321 HydrophobicContact CD1-CB 4.22Å; I310-M321 HydrophobicContact CD1-CG 3.45Å; I310-M321 VanDerWaalsContact CD1-CG 3.45Å
311P85.9Confident89.3Confident16 Ų1643.8 Ų43.810%0.10423%0.227CC..  trans-61.7156.5178.227.4-36000112.2L264 S309 E313 E314L264-P311 HydrophobicContact CD1-CB 3.21Å; L264-P311 HydrophobicContact CD1-CG 3.44Å; L264-P311 VanDerWaalsContact CD1-CG 3.44Å; S309-P311 WeakPolarHBondContact O-CD 3Å; P311-E313 WeakPolarHBondContact CB-OE2 3.44Å; P311-E313 PolarHBondContact O-N 3.11Å; P311-E314 HydrophobicContact CG-CB 4.04Å; P311-E314 HydrophobicContact CG-CG 3.77Å; P311-E314 PolarHBondContact O-N 2.82Å
312S83.3Confident89.4Confident68 Ų6835 Ų3548%0.47619%0.194SC..THydrogen-bonded Turntrans-64.2-23.5-176.938.90000114.3
313E82.8Confident89.5Confident125 Ų12536.4 Ų36.458%0.58420%0.2SC*.THydrogen-bonded Turntrans-78-29.7-176-62.886.5157.200111.9P311 T315P311-E313 WeakPolarHBondContact CB-OE2 3.44Å; P311-E313 PolarHBondContact O-N 3.11Å; E313-T315 PolarHBondContact O-N 2.66Å; E313-T315 VanDerWaalsContact O-N 3.1Å
314E87.1Confident89.7Confident61 Ų6136.4 Ų36.429%0.28520%0.2SC..  trans-89.267.9-175.8-71.1-74.3163.300111.5T268 I310 P311 Q316 L317 R318T268-E314 HydrophobicContact CG2-CG 4.11Å; I310-E314 HydrophobicContact CG2-CB 4.13Å; P311-E314 HydrophobicContact CG-CB 4.04Å; P311-E314 HydrophobicContact CG-CG 3.77Å; P311-E314 PolarHBondContact O-N 2.82Å; E314-Q316 VanDerWaalsContact C-N 3.35Å; E314-Q316 PolarHBondContact O-N 2.97Å; E314-L317 HydrophobicContact CB-CB 4.03Å; E314-L317 HydrophobicContact CB-CD2 4.5Å; E314-L317 PolarHBondContact O-N 3.33Å; E314-R318 PolarHBondContact O-N 3.33Å
315T89.1Confident90Very high25 Ų2535.7 Ų35.715%0.15320%0.197CC..Hα-helixtrans-63.8-37.9-178.267.90000112.8E313 R318 K319 T356 E360 N361E313-T315 PolarHBondContact O-N 2.66Å; E313-T315 VanDerWaalsContact O-N 3.1Å; T315-R318 PolarHBondContact O-N 3.26Å; T315-K319 PolarHBondContact O-N 3.2Å; T315-T356 HydrophobicContact CG2-CG2 4.15Å; T315-E360 PolarHBondContact OG1-OE2 3.49Å; T315-N361 PolarHBondContact O-ND2 2.98Å; T315-N361 VanDerWaalsContact O-ND2 3.13Å
316Q91Very high90.3Very high100 Ų10032.7 Ų32.747%0.46718%0.18SC..Hα-helixtrans-69.8-43179.4-66.3-57.8-40.500112.4E314 R318 K319 D320E314-Q316 VanDerWaalsContact C-N 3.35Å; E314-Q316 PolarHBondContact O-N 2.97Å; Q316-R318 PolarHBondContact O-N 3.14Å; Q316-K319 VanDerWaalsContact O-CB 3.28Å; Q316-K319 WeakPolarHBondContact O-CB 3.44Å; Q316-K319 PolarHBondContact O-N 2.98Å; Q316-K319 VanDerWaalsContact O-N 3.12Å; Q316-D320 PolarHBondContact O-N 2.7Å
317L91.3Very high90.5Very high9 Ų937.9 Ų37.95%0.04720%0.202CC..Hα-helixtrans-62.1-36.5177.2-173.359.4000111.4T268 I271 K272 E314 D320 M321T268-L317 HydrophobicContact CG2-CD2 4.4Å; I271-L317 HydrophobicContact CB-CD2 4.12Å; I271-L317 HydrophobicContact CG2-CD1 4.46Å; I271-L317 HydrophobicContact CG2-CD2 3.58Å; I271-L317 HydrophobicContact CG2-CG 4.1Å; K272-L317 HydrophobicContact CG-CD1 4.15Å; K272-L317 HydrophobicContact CG-CD2 4.4Å; E314-L317 HydrophobicContact CB-CB 4.03Å; E314-L317 HydrophobicContact CB-CD2 4.5Å; E314-L317 PolarHBondContact O-N 3.33Å; L317-D320 PolarHBondContact O-N 3.13Å; L317-M321 HydrophobicContact CD1-CE 3.74Å; L317-M321 HydrophobicContact CG-CE 4.32Å; L317-M321 WeakPolarHBondContact O-CE 3.2Å; L317-M321 PolarHBondContact O-N 3.21Å
318R92.2Very high90.7Very high11 Ų1137.9 Ų37.94%0.04220%0.202CC..Hα-helixtrans-67.1-41.8174.1-169.3174.6-77.5-95.40.3112.2I307 I310 E314 T315 Q316 D320 M321 I322 L350 L351 G352 S357I307-R318 PolarHBondContact O-NH2 3.38Å; I310-R318 HydrophobicContact CD1-CB 4.26Å; I310-R318 HydrophobicContact CD1-CG 4.47Å; I310-R318 HydrophobicContact CG2-CB 4.14Å; I310-R318 PolarHBondContact O-NH2 2.95Å; E314-R318 PolarHBondContact O-N 3.33Å; T315-R318 PolarHBondContact O-N 3.26Å; Q316-R318 PolarHBondContact O-N 3.14Å; R318-D320 VanDerWaalsContact C-N 3.32Å; R318-D320 PolarHBondContact O-N 3.33Å; R318-M321 PolarHBondContact O-N 2.9Å; R318-I322 HydrophobicContact CG-CD1 4.34Å; R318-I322 WeakPolarHBondContact O-CG1 3.4Å; R318-I322 PolarHBondContact O-N 3.33Å; R318-L350 WeakPolarHBondContact CD-O 3.43Å; R318-L350 PolarHBondContact NH1-O 3.09Å; R318-L351 WeakPolarHBondContact CD-O 3.45Å; R318-G352 VanDerWaalsContact NH1-CA 3.33Å; R318-S357 WeakPolarHBondContact CD-OG 3.46Å
319K92.4Very high91.1Very high47 Ų4735 Ų3520%0.20418%0.179CC..Hα-helixtrans-54.6-49.8171.9-175.6-179.3157.2174.70110.9T315 Q316 M321 I322 L323 N361 Y364T315-K319 PolarHBondContact O-N 3.2Å; Q316-K319 VanDerWaalsContact O-CB 3.28Å; Q316-K319 WeakPolarHBondContact O-CB 3.44Å; Q316-K319 PolarHBondContact O-N 2.98Å; Q316-K319 VanDerWaalsContact O-N 3.12Å; K319-M321 VanDerWaalsContact C-N 3.33Å; K319-M321 PolarHBondContact O-N 2.7Å; K319-I322 WeakPolarHBondContact O-CB 3.43Å; K319-I322 PolarHBondContact O-N 3.3Å; K319-I322 VanDerWaalsContact O-N 3.13Å; K319-L323 HydrophobicContact CG-CD1 4.35Å; K319-L323 WeakPolarHBondContact O-CG 3.44Å; K319-L323 PolarHBondContact O-N 2.9Å; K319-N361 WeakPolarHBondContact CB-OD1 3.46Å; K319-Y364 HydrophobicContact CD-CD2 4.37Å; K319-Y364 HydrophobicContact CD-CE2 3.95Å; K319-Y364 WeakPolarHBondContact CE-OH 3.42Å; K319-Y364 HydrophobicContact CG-CD2 4.2Å; K319-Y364 HydrophobicContact CG-CE2 4.27Å; K319-Y364 HydrophobicContact CG-CG 4.4Å; K319-Y364 PolarHBondContact NZ-OH 3.33Å
320D93Very high91.5Very high56 Ų5636.3 Ų36.330%0.29918%0.179SC..Hα-helixtrans-60.2-41.8179.7-71.1-14.2000111.6Y275 Q316 L317 R318 I322 L323 V324Y275-D320 HydrophobicContact CE2-CB 4.03Å; Q316-D320 PolarHBondContact O-N 2.7Å; L317-D320 PolarHBondContact O-N 3.13Å; R318-D320 VanDerWaalsContact C-N 3.32Å; R318-D320 PolarHBondContact O-N 3.33Å; D320-I322 PolarHBondContact O-N 3.33Å; D320-L323 PolarHBondContact O-N 3.14Å; D320-V324 WeakPolarHBondContact O-CG2 3.45Å; D320-V324 PolarHBondContact O-N 2.64Å
321M93.7Very high91.6Very high2 Ų236.7 Ų36.71%0.0118%0.182CC..Hα-helixtrans-62.7-40.6174.8-72.9-34.996.300112.9Y275 L278 I307 I310 L317 R318 K319 L323 V324 L325Y275-M321 HydrophobicContact CD1-CE 4.47Å; Y275-M321 HydrophobicContact CD2-CE 2.96Å; Y275-M321 HydrophobicContact CD2-SD 3.7Å; Y275-M321 HydrophobicContact CE2-CE 3.54Å; Y275-M321 HydrophobicContact CE2-SD 4.48Å; Y275-M321 HydrophobicContact CG-CE 3.48Å; Y275-M321 VanDerWaalsContact CG-CE 3.48Å; Y275-M321 HydrophobicContact CG-SD 4.41Å; L278-M321 HydrophobicContact CD1-SD 4.39Å; I307-M321 HydrophobicContact CD1-CB 4.07Å; I307-M321 HydrophobicContact CG1-CB 3.76Å; I307-M321 HydrophobicContact CG1-CG 3.91Å; I310-M321 HydrophobicContact CD1-CB 4.22Å; I310-M321 HydrophobicContact CD1-CG 3.45Å; I310-M321 VanDerWaalsContact CD1-CG 3.45Å; L317-M321 HydrophobicContact CD1-CE 3.74Å; L317-M321 HydrophobicContact CG-CE 4.32Å; L317-M321 WeakPolarHBondContact O-CE 3.2Å; L317-M321 PolarHBondContact O-N 3.21Å; R318-M321 PolarHBondContact O-N 2.9Å; K319-M321 VanDerWaalsContact C-N 3.33Å; K319-M321 PolarHBondContact O-N 2.7Å; M321-L323 VanDerWaalsContact C-N 3.29Å; M321-L323 PolarHBondContact O-N 3.27Å; M321-V324 WeakPolarHBondContact O-CB 3.13Å; M321-V324 PolarHBondContact O-N 3.2Å; M321-L325 PolarHBondContact O-N 3.06Å
322I93.2Very high91.8Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-62.6-41.9177-68.3164.9000109.6R318 K319 D320 V324 L325 R326 N361 T368R318-I322 HydrophobicContact CG-CD1 4.34Å; R318-I322 WeakPolarHBondContact O-CG1 3.4Å; R318-I322 PolarHBondContact O-N 3.33Å; K319-I322 WeakPolarHBondContact O-CB 3.43Å; K319-I322 PolarHBondContact O-N 3.3Å; K319-I322 VanDerWaalsContact O-N 3.13Å; D320-I322 PolarHBondContact O-N 3.33Å; I322-V324 VanDerWaalsContact C-N 3.33Å; I322-V324 PolarHBondContact O-N 3.43Å; I322-L325 WeakPolarHBondContact O-CB 3.37Å; I322-L325 PolarHBondContact O-N 3.3Å; I322-R326 PolarHBondContact O-N 2.76Å; I322-N361 HydrophobicContact CD1-CB 3.88Å; I322-T368 HydrophobicContact CG2-CG2 4.44Å; I322-T368 VanDerWaalsContact CG2-OG1 3.31Å; I322-T368 WeakPolarHBondContact CG2-OG1 3.34Å; I322-T368 PolarHBondContact O-OG1 3.17Å
323L93Very high92.1Very high38 Ų3835.4 Ų35.420%0.19917%0.173CC..Hα-helixtrans-65.5-34175.1-67.8177.1000112.5K319 D320 M321 R326 K327 Y364K319-L323 HydrophobicContact CG-CD1 4.35Å; K319-L323 WeakPolarHBondContact O-CG 3.44Å; K319-L323 PolarHBondContact O-N 2.9Å; D320-L323 PolarHBondContact O-N 3.14Å; M321-L323 VanDerWaalsContact C-N 3.29Å; M321-L323 PolarHBondContact O-N 3.27Å; L323-R326 WeakPolarHBondContact O-CB 3.49Å; L323-R326 PolarHBondContact O-N 3.46Å; L323-K327 WeakPolarHBondContact O-CG 3.42Å; L323-K327 PolarHBondContact O-N 3.42Å; L323-Y364 HydrophobicContact CD2-CD1 3.74Å; L323-Y364 HydrophobicContact CD2-CE1 4.34Å; L323-Y364 HydrophobicContact CG-CD1 4.38Å
324V94.6Very high92.6Very high2 Ų232.9 Ų32.91%0.01216%0.159CC..Hα-helixtrans-63.8-45.3171.3173.30000111.5Y275 L278 D320 M321 I322 R326 K327 F328Y275-V324 HydrophobicContact CD2-CG2 3.99Å; Y275-V324 HydrophobicContact CE2-CG2 3.39Å; L278-V324 HydrophobicContact CB-CG1 4.25Å; D320-V324 WeakPolarHBondContact O-CG2 3.45Å; D320-V324 PolarHBondContact O-N 2.64Å; M321-V324 WeakPolarHBondContact O-CB 3.13Å; M321-V324 PolarHBondContact O-N 3.2Å; I322-V324 VanDerWaalsContact C-N 3.33Å; I322-V324 PolarHBondContact O-N 3.43Å; V324-R326 PolarHBondContact O-N 3.18Å; V324-K327 PolarHBondContact O-N 3.26Å; V324-F328 HydrophobicContact CG1-CD2 3.72Å; V324-F328 HydrophobicContact CG1-CE2 3.48Å; V324-F328 VanDerWaalsContact CG1-CE2 3.48Å; V324-F328 WeakPolarHBondContact O-CD2 3.49Å; V324-F328 PolarHBondContact O-N 3.04Å
325L94.9Very high92.7Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-55.8-40.5173.2-81176.9000111.1V303 I307 M321 I322 K327 F328 S329 F337 L350 T368 F372V303-L325 HydrophobicContact CG1-CD2 3.61Å; V303-L325 HydrophobicContact CG1-CG 4.08Å; I307-L325 HydrophobicContact CD1-CD1 3.49Å; I307-L325 VanDerWaalsContact CD1-CD1 3.49Å; I307-L325 HydrophobicContact CD1-CG 4.11Å; M321-L325 PolarHBondContact O-N 3.06Å; I322-L325 WeakPolarHBondContact O-CB 3.37Å; I322-L325 PolarHBondContact O-N 3.3Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 3.31Å; L325-F328 WeakPolarHBondContact O-CB 3.25Å; L325-F328 PolarHBondContact O-N 3.4Å; L325-F328 VanDerWaalsContact O-N 3.17Å; L325-S329 PolarHBondContact O-N 3.12Å; L325-F337 HydrophobicContact CD2-CD1 4.38Å; L325-F337 HydrophobicContact CD2-CE1 3.59Å; L325-F337 HydrophobicContact CD2-CZ 4.18Å; L325-L350 HydrophobicContact CD1-CD1 3.88Å; L325-L350 HydrophobicContact CD1-CD2 3.79Å; L325-T368 HydrophobicContact CB-CG2 3.73Å; L325-F372 HydrophobicContact CB-CE2 4.2Å; L325-F372 WeakPolarHBondContact O-CE2 3.32Å; L325-F372 VanDerWaalsContact O-CZ 3.29Å; L325-F372 WeakPolarHBondContact O-CZ 3.42Å
326R94.7Very high92.7Very high16 Ų1634.4 Ų34.46%0.0617%0.17CC..Hα-helixtrans-63.3-38.8175.2-163.7173.4178.6-160.3-5.1112.9I322 L323 V324 F328 S329 K330 T368 D371 E524I322-R326 PolarHBondContact O-N 2.76Å; L323-R326 WeakPolarHBondContact O-CB 3.49Å; L323-R326 PolarHBondContact O-N 3.46Å; V324-R326 PolarHBondContact O-N 3.18Å; R326-F328 VanDerWaalsContact C-N 3.33Å; R326-S329 PolarHBondContact O-N 2.72Å; R326-S329 PolarHBondContact O-OG 3.02Å; R326-K330 PolarHBondContact O-N 3.44Å; R326-T368 HydrophobicContact CB-CG2 3.94Å; R326-T368 WeakPolarHBondContact CB-OG1 3.18Å; R326-D371 VanDerWaalsContact CG-OD2 3.27Å; R326-D371 WeakPolarHBondContact CG-OD2 3.5Å; R326-D371 IonicContact CZ-OD2 3.21Å; R326-D371 IonicContact NE-OD2 2.95Å; R326-D371 PolarHBondContact NE-OD2 3.07Å; R326-D371 IonicContact NH2-OD2 3.89Å; R326-E524 IonicContact CZ-OE1 2.77Å; R326-E524 IonicContact NH1-OE1 3.75Å; R326-E524 PolarHBondContact NH1-OE1 3.16Å; R326-E524 IonicContact NH2-OE1 2.81Å
327K95.9Very high92.8Very high111 Ų11129.7 Ų29.748%0.48315%0.148SC..Hα-helixtrans-66.8-36.1173.8-63.6-179.6-173.6-175.10111.6L282 L323 V324 L325 S329 K330 S331L282-K327 HydrophobicContact CD1-CB 3.84Å; L282-K327 HydrophobicContact CD2-CB 3.38Å; L282-K327 HydrophobicContact CD2-CD 3.42Å; L282-K327 VanDerWaalsContact CD2-CD 3.42Å; L282-K327 HydrophobicContact CD2-CG 4.03Å; L282-K327 HydrophobicContact CG-CB 4.2Å; L323-K327 WeakPolarHBondContact O-CG 3.42Å; L323-K327 PolarHBondContact O-N 3.42Å; V324-K327 PolarHBondContact O-N 3.26Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 3.31Å; K327-S329 PolarHBondContact O-N 3.39Å; K327-K330 PolarHBondContact O-N 3.49Å; K327-S331 PolarHBondContact O-N 3.41Å; K327-S331 VanDerWaalsContact O-N 3.14Å
328F94.7Very high92.8Very high0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-64.9-34.3172.6-81.5-63.2000113.5L278 I281 L282 L299 V324 L325 R326 K330 S331 M333 F337 F372L278-F328 HydrophobicContact CD2-CE2 4.42Å; I281-F328 HydrophobicContact CG2-CE1 4.11Å; I281-F328 HydrophobicContact CG2-CZ 4.14Å; L282-F328 HydrophobicContact CB-CE1 4.37Å; L282-F328 HydrophobicContact CB-CZ 4.21Å; L282-F328 HydrophobicContact CD1-CD1 3.98Å; L282-F328 HydrophobicContact CD1-CE1 4.1Å; L282-F328 HydrophobicContact CD1-CG 4.27Å; L299-F328 HydrophobicContact CD2-CE1 3.89Å; L299-F328 HydrophobicContact CD2-CZ 4.02Å; V324-F328 HydrophobicContact CG1-CD2 3.72Å; V324-F328 HydrophobicContact CG1-CE2 3.48Å; V324-F328 VanDerWaalsContact CG1-CE2 3.48Å; V324-F328 WeakPolarHBondContact O-CD2 3.49Å; V324-F328 PolarHBondContact O-N 3.04Å; L325-F328 WeakPolarHBondContact O-CB 3.25Å; L325-F328 PolarHBondContact O-N 3.4Å; L325-F328 VanDerWaalsContact O-N 3.17Å; R326-F328 VanDerWaalsContact C-N 3.33Å; F328-K330 PolarHBondContact O-N 3.22Å; F328-S331 PolarHBondContact O-N 3.34Å; F328-S331 PolarHBondContact O-OG 3.47Å; F328-M333 HydrophobicContact CD1-CB 4.31Å; F328-M333 HydrophobicContact CE1-SD 3.99Å; F328-F337 HydrophobicContact CB-CE2 3.99Å; F328-F337 HydrophobicContact CB-CZ 4.17Å; F328-F337 HydrophobicContact CD1-CE2 4.34Å; F328-F337 HydrophobicContact CD2-CZ 4.33Å; F328-F337 HydrophobicContact CG-CE2 4.14Å; F328-F337 HydrophobicContact CG-CZ 4.16Å; F328-F372 HydrophobicContact CB-CZ 4.27Å
329S94.5Very high92.6Very high0 Ų035.4 Ų35.40%019%0.188CC..Hα-helixtrans-62.5-33.2177.280.60000112L325 R326 K327 R334 D371 Y375L325-S329 PolarHBondContact O-N 3.12Å; R326-S329 PolarHBondContact O-N 2.72Å; R326-S329 PolarHBondContact O-OG 3.02Å; K327-S329 PolarHBondContact O-N 3.39Å; S329-R334 WeakPolarHBondContact O-CB 3.48Å; S329-R334 WeakPolarHBondContact O-CD 3.5Å; S329-R334 PolarHBondContact O-NE 3.25Å; S329-D371 VanDerWaalsContact OG-CB 3.22Å; S329-D371 WeakPolarHBondContact OG-CB 3.44Å; S329-Y375 WeakPolarHBondContact O-CD2 3.25Å
330K94Very high92.5Very high70 Ų7033.5 Ų33.530%0.30418%0.181SC..Hα-helixtrans-82.3-23.7176.8-63.1-177.8178-169.30113.2R326 K327 F328 R334 Y375 E520R326-K330 PolarHBondContact O-N 3.44Å; K327-K330 PolarHBondContact O-N 3.49Å; F328-K330 PolarHBondContact O-N 3.22Å; K330-R334 PolarHBondContact O-NH2 3.46Å; K330-Y375 HydrophobicContact CG-CE2 3.94Å; K330-E520 IonicContact NZ-OE1 3.31Å
331S93Very high92.4Very high13 Ų1330.9 Ų30.99%0.09117%0.166CC..SBendtrans-78.4171.7-177.383.40000113.8K327 F328 M333 R334K327-S331 PolarHBondContact O-N 3.41Å; K327-S331 VanDerWaalsContact O-N 3.14Å; F328-S331 PolarHBondContact O-N 3.34Å; F328-S331 PolarHBondContact O-OG 3.47Å; S331-M333 PolarHBondContact O-N 2.98Å; S331-M333 PolarHBondContact OG-N 3.3Å; S331-R334 PolarHBondContact O-N 3.12Å; S331-R334 PolarHBondContact O-NE 2.95Å; S331-R334 PolarHBondContact O-NH2 2.97Å
332S89.4Confident92.3Very high56 Ų5633.7 Ų33.739%0.39218%0.181SC..G310 helixtrans-64-21.4175.5630000113.2N285 R334N285-S332 PolarHBondContact OD1-OG 3.22Å; S332-R334 VanDerWaalsContact C-N 3.28Å; S332-R334 PolarHBondContact O-N 2.87Å
333M89.7Confident92.2Very high1 Ų137.1 Ų37.11%0.00520%0.2CC..G310 helixtrans-79-5.4-177.5-61.3-175.584.500113.9I281 N285 V289 A296 L299 F328 S331 C335 Y336I281-M333 HydrophobicContact CG2-CE 3.94Å; I281-M333 HydrophobicContact CG2-SD 3.79Å; N285-M333 HydrophobicContact CB-CG 4.09Å; N285-M333 HydrophobicContact CB-SD 3.81Å; V289-M333 HydrophobicContact CG2-CE 4.36Å; V289-M333 HydrophobicContact CG2-CG 3.53Å; V289-M333 HydrophobicContact CG2-SD 4.32Å; A296-M333 HydrophobicContact CB-CE 3.7Å; L299-M333 HydrophobicContact CD2-CE 3.57Å; L299-M333 HydrophobicContact CD2-SD 4.33Å; F328-M333 HydrophobicContact CD1-CB 4.31Å; F328-M333 HydrophobicContact CE1-SD 3.99Å; S331-M333 PolarHBondContact O-N 2.98Å; S331-M333 PolarHBondContact OG-N 3.3Å; M333-C335 PolarHBondContact O-N 3.35Å; M333-Y336 HydrophobicContact CB-CD2 3.99Å; M333-Y336 HydrophobicContact CB-CE2 4.28Å; M333-Y336 HydrophobicContact CE-CD2 4.38Å; M333-Y336 HydrophobicContact CE-CE2 4.26Å; M333-Y336 HydrophobicContact CG-CD2 4.49Å; M333-Y336 HydrophobicContact CG-CE2 4.33Å; M333-Y336 VanDerWaalsContact O-CD2 3.27Å; M333-Y336 WeakPolarHBondContact O-CD2 3.48Å; M333-Y336 PolarHBondContact O-N 2.6Å; M333-Y336 VanDerWaalsContact O-N 3.1Å
334R92.5Very high92Very high73 Ų7335.3 Ų35.328%0.27519%0.19SC..G310 helixtrans-52.5-32.3-178.771.7-174.488.9140.30.1113.8S329 K330 S331 S332 Y336 F337 L376S329-R334 WeakPolarHBondContact O-CB 3.48Å; S329-R334 WeakPolarHBondContact O-CD 3.5Å; S329-R334 PolarHBondContact O-NE 3.25Å; K330-R334 PolarHBondContact O-NH2 3.46Å; S331-R334 PolarHBondContact O-N 3.12Å; S331-R334 PolarHBondContact O-NE 2.95Å; S331-R334 PolarHBondContact O-NH2 2.97Å; S332-R334 VanDerWaalsContact C-N 3.28Å; S332-R334 PolarHBondContact O-N 2.87Å; R334-Y336 PolarHBondContact O-N 3.18Å; R334-F337 WeakPolarHBondContact O-CB 3.33Å; R334-F337 PolarHBondContact O-N 2.96Å; R334-L376 HydrophobicContact CB-CD2 4.38Å; R334-L376 HydrophobicContact CG-CD2 4.03Å
335C90.5Very high91.9Very high75 Ų7535.5 Ų35.551%0.50719%0.191SC..G310 helixtrans-61.8-29.6-178.2-63.40000113M333 F337 V338M333-C335 PolarHBondContact O-N 3.35Å; C335-F337 PolarHBondContact O-N 2.77Å; C335-V338 WeakPolarHBondContact O-CB 3.17Å; C335-V338 VanDerWaalsContact O-CG2 3.31Å; C335-V338 WeakPolarHBondContact O-CG2 3.25Å; C335-V338 PolarHBondContact O-N 2.87Å
336Y89.5Confident91.6Very high43 Ų4340.3 Ų40.317%0.16921%0.214CC..G310 helixtrans-66.4-26.7177.1-58.4-57.8000112.2V289 A296 E297 P300 M333 R334 V338 S339V289-Y336 HydrophobicContact CG2-CE2 4.26Å; A296-Y336 HydrophobicContact CB-CD2 4.4Å; A296-Y336 HydrophobicContact CB-CE2 3.91Å; E297-Y336 HydrophobicContact CG-CD1 3.92Å; E297-Y336 HydrophobicContact CG-CE1 3.89Å; P300-Y336 WeakPolarHBondContact CG-O 3.41Å; M333-Y336 HydrophobicContact CB-CD2 3.99Å; M333-Y336 HydrophobicContact CB-CE2 4.28Å; M333-Y336 HydrophobicContact CE-CD2 4.38Å; M333-Y336 HydrophobicContact CE-CE2 4.26Å; M333-Y336 HydrophobicContact CG-CD2 4.49Å; M333-Y336 HydrophobicContact CG-CE2 4.33Å; M333-Y336 VanDerWaalsContact O-CD2 3.27Å; M333-Y336 WeakPolarHBondContact O-CD2 3.48Å; M333-Y336 PolarHBondContact O-N 2.6Å; M333-Y336 VanDerWaalsContact O-N 3.1Å; R334-Y336 PolarHBondContact O-N 3.18Å; Y336-V338 VanDerWaalsContact C-N 3.29Å; Y336-V338 PolarHBondContact O-N 3.42Å; Y336-S339 PolarHBondContact O-OG 2.98Å
337F92.9Very high91.1Very high0 Ų041.6 Ų41.60%022%0.221CC..G310 helixtrans-76.9-10.6-179.8-69.9-97.4000113.6P300 L325 F328 R334 C335 S339 V340 M341 M344 F372P300-F337 HydrophobicContact CB-CD1 3.81Å; P300-F337 HydrophobicContact CB-CE1 3.85Å; P300-F337 HydrophobicContact CB-CG 4.27Å; P300-F337 HydrophobicContact CB-CZ 4.33Å; P300-F337 HydrophobicContact CG-CD1 4.22Å; P300-F337 HydrophobicContact CG-CD2 4.26Å; P300-F337 HydrophobicContact CG-CE1 4.29Å; P300-F337 HydrophobicContact CG-CE2 4.33Å; P300-F337 HydrophobicContact CG-CG 4.2Å; P300-F337 HydrophobicContact CG-CZ 4.35Å; L325-F337 HydrophobicContact CD2-CD1 4.38Å; L325-F337 HydrophobicContact CD2-CE1 3.59Å; L325-F337 HydrophobicContact CD2-CZ 4.18Å; F328-F337 HydrophobicContact CB-CE2 3.99Å; F328-F337 HydrophobicContact CB-CZ 4.17Å; F328-F337 HydrophobicContact CD1-CE2 4.34Å; F328-F337 HydrophobicContact CD2-CZ 4.33Å; F328-F337 HydrophobicContact CG-CE2 4.14Å; F328-F337 HydrophobicContact CG-CZ 4.16Å; R334-F337 WeakPolarHBondContact O-CB 3.33Å; R334-F337 PolarHBondContact O-N 2.96Å; C335-F337 PolarHBondContact O-N 2.77Å; F337-S339 PolarHBondContact O-N 3.3Å; F337-V340 HydrophobicContact CB-CG2 4.18Å; F337-V340 HydrophobicContact CD1-CG2 4.21Å; F337-V340 WeakPolarHBondContact O-CG2 3.4Å; F337-V340 PolarHBondContact O-N 3.44Å; F337-V340 VanDerWaalsContact O-N 3.16Å; F337-M341 VanDerWaalsContact O-CG 3.31Å; F337-M341 WeakPolarHBondContact O-CG 3.33Å; F337-M341 PolarHBondContact O-N 3.33Å; F337-M341 VanDerWaalsContact O-N 3.14Å; F337-M344 HydrophobicContact CD1-SD 4.19Å; F337-F372 HydrophobicContact CB-CD1 4.23Å; F337-F372 HydrophobicContact CB-CE1 3.67Å; F337-F372 HydrophobicContact CB-CZ 4.38Å; F337-F372 HydrophobicContact CD1-CE1 4.19Å; F337-F372 HydrophobicContact CD1-CZ 4.06Å; F337-F372 HydrophobicContact CD2-CE1 4.01Å; F337-F372 HydrophobicContact CD2-CZ 4.29Å; F337-F372 HydrophobicContact CE1-CZ 4.44Å; F337-F372 AromaticContact CG-CE1 3.69Å; F337-F372 HydrophobicContact CG-CE1 3.69Å; F337-F372 AromaticContact CG-CZ 3.98Å; F337-F372 HydrophobicContact CG-CZ 3.98Å
338V91.2Very high90.5Very high45 Ų4538.9 Ų38.927%0.27322%0.224SC..G310 helixtrans-56.2-38.4179176.10000111.8C335 Y336 V340 M341 L376 N379C335-V338 WeakPolarHBondContact O-CB 3.17Å; C335-V338 VanDerWaalsContact O-CG2 3.31Å; C335-V338 WeakPolarHBondContact O-CG2 3.25Å; C335-V338 PolarHBondContact O-N 2.87Å; Y336-V338 VanDerWaalsContact C-N 3.29Å; Y336-V338 PolarHBondContact O-N 3.42Å; V338-V340 VanDerWaalsContact C-N 3.26Å; V338-V340 PolarHBondContact O-N 3.18Å; V338-M341 PolarHBondContact O-N 2.92Å; V338-L376 HydrophobicContact CG2-CB 4.5Å; V338-L376 HydrophobicContact CG2-CD1 3.84Å; V338-L376 HydrophobicContact CG2-CD2 3.68Å; V338-L376 HydrophobicContact CG2-CG 4.22Å; V338-N379 HydrophobicContact CG1-CB 4.37Å; V338-N379 WeakPolarHBondContact CG1-O 3.35Å; V338-N379 HydrophobicContact CG2-CB 4.07Å
339S87.1Confident90Very high95 Ų9541.3 Ų41.366%0.66424%0.237SC*.G310 helixtrans-66.2-25.7-176.764.40000114.4Y336 F337Y336-S339 PolarHBondContact O-OG 2.98Å; F337-S339 PolarHBondContact O-N 3.3Å
340V89.9Confident89.6Confident8 Ų841.3 Ų41.35%0.04824%0.237CC..G310 helixtrans-111-1.7-172.9-70.30000112.4P300 F304 F337 V338 N342 D343 M344P300-V340 HydrophobicContact CB-CG1 4.21Å; P300-V340 HydrophobicContact CB-CG2 3.68Å; F304-V340 HydrophobicContact CD2-CB 4.37Å; F304-V340 HydrophobicContact CD2-CG1 4.39Å; F304-V340 HydrophobicContact CE2-CB 3.51Å; F304-V340 HydrophobicContact CE2-CG1 3.91Å; F304-V340 HydrophobicContact CE2-CG2 3.54Å; F304-V340 HydrophobicContact CZ-CB 4.16Å; F304-V340 HydrophobicContact CZ-CG2 3.98Å; F337-V340 HydrophobicContact CB-CG2 4.18Å; F337-V340 HydrophobicContact CD1-CG2 4.21Å; F337-V340 WeakPolarHBondContact O-CG2 3.4Å; F337-V340 PolarHBondContact O-N 3.44Å; F337-V340 VanDerWaalsContact O-N 3.16Å; V338-V340 VanDerWaalsContact C-N 3.26Å; V338-V340 PolarHBondContact O-N 3.18Å; V340-N342 PolarHBondContact O-N 3.4Å; V340-N342 VanDerWaalsContact O-N 3.09Å; V340-D343 PolarHBondContact O-N 3.18Å; V340-M344 HydrophobicContact CG2-SD 4.4Å; V340-M344 WeakPolarHBondContact O-CG 3.4Å; V340-M344 PolarHBondContact O-N 2.86Å; V340-M344 VanDerWaalsContact O-N 3.09Å
341M91.8Very high89.2Confident0 Ų038 Ų380%022%0.222CC..Hα-helixtrans-54.2-33.6-178.7-78.2-53.1-59.700113.2F337 V338 D343 M344 L345 F372 L373 L376 L380 T384F337-M341 VanDerWaalsContact O-CG 3.31Å; F337-M341 WeakPolarHBondContact O-CG 3.33Å; F337-M341 PolarHBondContact O-N 3.33Å; F337-M341 VanDerWaalsContact O-N 3.14Å; V338-M341 PolarHBondContact O-N 2.92Å; M341-D343 VanDerWaalsContact C-N 3.29Å; M341-D343 PolarHBondContact O-N 3.03Å; M341-M344 PolarHBondContact O-N 3.09Å; M341-M344 HydrophobicContact SD-SD 3.63Å; M341-M344 VanDerWaalsContact SD-SD 3.63Å; M341-L345 WeakPolarHBondContact O-CG 3.42Å; M341-L345 PolarHBondContact O-N 3.41Å; M341-F372 HydrophobicContact CE-CB 3.79Å; M341-F372 HydrophobicContact SD-CB 4Å; M341-F372 HydrophobicContact SD-CD1 4.21Å; M341-F372 HydrophobicContact SD-CG 4.24Å; M341-L373 HydrophobicContact CE-CD2 3.97Å; M341-L373 HydrophobicContact CE-CG 4.37Å; M341-L376 HydrophobicContact CG-CD1 3.94Å; M341-L376 HydrophobicContact SD-CD1 3.77Å; M341-L380 HydrophobicContact CB-CD2 4.24Å; M341-L380 HydrophobicContact CG-CD2 4.01Å; M341-T384 HydrophobicContact CB-CG2 4.04Å
342N91.4Very high88.8Confident61 Ų6137.9 Ų37.933%0.32622%0.223SC..Hα-helixtrans-65.6-34179.3-17266.6000113.1V340 T384 K387V340-N342 PolarHBondContact O-N 3.4Å; V340-N342 VanDerWaalsContact O-N 3.09Å; N342-T384 HydrophobicContact CB-CG2 4.22Å; N342-K387 PolarHBondContact O-NZ 2.83Å
343D90.4Very high88.5Confident73 Ų7347.4 Ų47.439%0.3925%0.25SS..Hα-helixtrans-79.5-35179.3-51.5-26.5000109.8V340 M341 L345 E346 L349V340-D343 PolarHBondContact O-N 3.18Å; M341-D343 VanDerWaalsContact C-N 3.29Å; M341-D343 PolarHBondContact O-N 3.03Å; D343-L345 PolarHBondContact O-N 3.47Å; D343-E346 WeakPolarHBondContact O-CB 2.81Å; D343-E346 PolarHBondContact O-N 3.32Å; D343-L349 HydrophobicContact CB-CD2 4.3Å
344M90.5Very high88.1Confident0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-61-28.5173.7-66.7-176.973.300113.9F304 F337 V340 M341 E346 L350 I369 F372F304-M344 HydrophobicContact CE1-CG 3.51Å; F304-M344 HydrophobicContact CE1-SD 4.29Å; F304-M344 HydrophobicContact CE2-CG 4.31Å; F304-M344 HydrophobicContact CZ-CE 4.36Å; F304-M344 HydrophobicContact CZ-CG 3.21Å; F304-M344 HydrophobicContact CZ-SD 3.67Å; F337-M344 HydrophobicContact CD1-SD 4.19Å; V340-M344 HydrophobicContact CG2-SD 4.4Å; V340-M344 WeakPolarHBondContact O-CG 3.4Å; V340-M344 PolarHBondContact O-N 2.86Å; V340-M344 VanDerWaalsContact O-N 3.09Å; M341-M344 PolarHBondContact O-N 3.09Å; M341-M344 HydrophobicContact SD-SD 3.63Å; M341-M344 VanDerWaalsContact SD-SD 3.63Å; M344-E346 PolarHBondContact O-N 2.86Å; M344-L350 HydrophobicContact CE-CD1 4.44Å; M344-I369 HydrophobicContact CB-CD1 3.92Å; M344-I369 HydrophobicContact CE-CD1 3.85Å; M344-F372 HydrophobicContact CE-CD2 3.67Å; M344-F372 HydrophobicContact CE-CE2 3.64Å; M344-F372 HydrophobicContact CE-CG 4.28Å; M344-F372 HydrophobicContact CE-CZ 4.23Å
345L91.3Very high87.8Confident6 Ų653 Ų533%0.03128%0.277CS..THydrogen-bonded Turntrans-74.1-3.2176.8-67.7170.4000112.9M341 D343 E347 I369 L373 T384 K387 A388 M391M341-L345 WeakPolarHBondContact O-CG 3.42Å; M341-L345 PolarHBondContact O-N 3.41Å; D343-L345 PolarHBondContact O-N 3.47Å; L345-E347 PolarHBondContact O-N 2.87Å; L345-I369 HydrophobicContact CD2-CG2 3.84Å; L345-L373 HydrophobicContact CD2-CD1 4.42Å; L345-L373 HydrophobicContact CD2-CD2 4.5Å; L345-T384 HydrophobicContact CD1-CG2 3.77Å; L345-T384 WeakPolarHBondContact CD1-O 3.35Å; L345-K387 HydrophobicContact CB-CD 4.07Å; L345-K387 HydrophobicContact CB-CG 4.36Å; L345-K387 HydrophobicContact CD1-CB 4.11Å; L345-K387 HydrophobicContact CD1-CD 4.17Å; L345-K387 HydrophobicContact CD1-CG 4.14Å; L345-A388 HydrophobicContact CD1-CB 3.87Å; L345-A388 HydrophobicContact CD2-CB 3.85Å; L345-M391 HydrophobicContact CB-SD 4.16Å; L345-M391 HydrophobicContact CD2-SD 3.72Å; L345-M391 VanDerWaalsContact O-SD 3.38Å
346E89.4Confident87.6Confident100 Ų10053 Ų5347%0.46728%0.275SS..  trans-86.4105.6173.6-58-167.7168.200110.1D343 M344 G348 L349 K387D343-E346 WeakPolarHBondContact O-CB 2.81Å; D343-E346 PolarHBondContact O-N 3.32Å; M344-E346 PolarHBondContact O-N 2.86Å; E346-G348 PolarHBondContact O-N 3.41Å; E346-L349 HydrophobicContact CB-CB 4.5Å; E346-L349 WeakPolarHBondContact O-CB 3.37Å; E346-L349 PolarHBondContact O-N 3.49Å; E346-K387 VanDerWaalsContact CG-NZ 3.3Å; E346-K387 IonicContact OE1-NZ 2.99Å; E346-K387 PolarHBondContact OE1-NZ 2.88Å
347E83.7Confident87.3Confident44 Ų4451.1 Ų51.121%0.20627%0.268CS..Hα-helixtrans-49.6-37.9-177.6-67.5-178.8154.800112.9L345 L349 L351 F365 M391 R394 Y395L345-E347 PolarHBondContact O-N 2.87Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 3.48Å; E347-L351 HydrophobicContact CB-CD1 4.32Å; E347-L351 VanDerWaalsContact O-CB 3.26Å; E347-L351 WeakPolarHBondContact O-CB 3.33Å; E347-L351 WeakPolarHBondContact O-CG 3.41Å; E347-L351 PolarHBondContact O-N 3.21Å; E347-F365 HydrophobicContact CG-CE1 4.13Å; E347-F365 HydrophobicContact CG-CZ 4.33Å; E347-M391 HydrophobicContact CG-CE 3.75Å; E347-R394 IonicContact OE1-CZ 3.21Å; E347-R394 IonicContact OE1-NH2 2.7Å; E347-R394 PolarHBondContact OE1-NH2 2.93Å; E347-R394 IonicContact OE2-NH2 3.34Å; E347-R394 PolarHBondContact OE2-NH2 3.41Å; E347-Y395 VanDerWaalsContact OE1-CE1 3.32Å; E347-Y395 WeakPolarHBondContact OE1-CE1 3.04Å; E347-Y395 PolarHBondContact OE1-OH 3.16Å
348G83.5Confident87Confident53 Ų5353.5 Ų53.555%0.54628%0.281SS..Hα-helixtrans-67.3-25.2-177.900000114.8E346 G352E346-G348 PolarHBondContact O-N 3.41Å; G348-G352 WeakPolarHBondContact O-CA 3.36Å; G348-G352 PolarHBondContact O-N 2.8Å
349L84.3Confident86.7Confident52 Ų5255.9 Ų55.927%0.27229%0.291SS..Hα-helixtrans-72.2-54.1-176.1-178.565.2000111.3F304 D343 E346 E347F304-L349 HydrophobicContact CD1-CD2 3.9Å; F304-L349 HydrophobicContact CE1-CD2 4.45Å; F304-L349 HydrophobicContact CG-CD2 4.37Å; D343-L349 HydrophobicContact CB-CD2 4.3Å; E346-L349 HydrophobicContact CB-CB 4.5Å; E346-L349 WeakPolarHBondContact O-CB 3.37Å; E346-L349 PolarHBondContact O-N 3.49Å; E347-L349 VanDerWaalsContact C-N 3.31Å; E347-L349 PolarHBondContact O-N 3.48Å
350L85.3Confident86.6Confident0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-83.2-41.4-175.9-65.5-173.1000112.9F304 I307 R318 L325 M344 G352 F365 I369F304-L350 HydrophobicContact CD1-CD2 3.95Å; F304-L350 HydrophobicContact CE1-CD2 3.94Å; I307-L350 HydrophobicContact CB-CD2 4.49Å; I307-L350 HydrophobicContact CD1-CD2 3.73Å; I307-L350 HydrophobicContact CG2-CD2 3.9Å; R318-L350 WeakPolarHBondContact CD-O 3.43Å; R318-L350 PolarHBondContact NH1-O 3.09Å; L325-L350 HydrophobicContact CD1-CD1 3.88Å; L325-L350 HydrophobicContact CD1-CD2 3.79Å; M344-L350 HydrophobicContact CE-CD1 4.44Å; L350-G352 VanDerWaalsContact C-N 3.31Å; L350-G352 PolarHBondContact O-N 2.99Å; L350-F365 HydrophobicContact CB-CD2 3.65Å; L350-F365 HydrophobicContact CB-CE2 3.7Å; L350-F365 HydrophobicContact CD1-CD2 3.87Å; L350-F365 HydrophobicContact CD1-CE2 3.76Å; L350-F365 HydrophobicContact CG-CD2 4.33Å; L350-F365 HydrophobicContact CG-CE2 4.11Å; L350-I369 HydrophobicContact CD1-CD1 3.94Å
351L86.8Confident86.5Confident0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-73.1-26.5179.4-64.2173.2000112.7R318 E347 S357 N361 F365R318-L351 WeakPolarHBondContact CD-O 3.45Å; E347-L351 HydrophobicContact CB-CD1 4.32Å; E347-L351 VanDerWaalsContact O-CB 3.26Å; E347-L351 WeakPolarHBondContact O-CB 3.33Å; E347-L351 WeakPolarHBondContact O-CG 3.41Å; E347-L351 PolarHBondContact O-N 3.21Å; L351-S357 PolarHBondContact O-OG 3.31Å; L351-N361 HydrophobicContact CD2-CB 4.12Å; L351-F365 HydrophobicContact CD1-CD1 4.09Å; L351-F365 HydrophobicContact CD1-CE1 4.38Å; L351-F365 HydrophobicContact CD1-CG 4.39Å; L351-F365 HydrophobicContact CD2-CB 3.54Å; L351-F365 HydrophobicContact CD2-CD1 4.33Å; L351-F365 HydrophobicContact CD2-CD2 4.48Å; L351-F365 HydrophobicContact CD2-CG 3.89Å; L351-F365 HydrophobicContact CG-CB 4.22Å; L351-F365 HydrophobicContact CG-CD1 4.21Å; L351-F365 HydrophobicContact CG-CD2 4.32Å; L351-F365 HydrophobicContact CG-CG 4Å
352G83.8Confident86.4Confident11 Ų1157.4 Ų57.411%0.11329%0.285CS..  trans75.7-174.1-177.100000113.4R318 G348 L350R318-G352 VanDerWaalsContact NH1-CA 3.33Å; G348-G352 WeakPolarHBondContact O-CA 3.36Å; G348-G352 PolarHBondContact O-N 2.8Å; L350-G352 VanDerWaalsContact C-N 3.31Å; L350-G352 PolarHBondContact O-N 2.99Å
353R83.3Confident86.2Confident255 Ų25555.5 Ų55.596%0.96228%0.277SS*.SBendtrans-90.2-10.2-176.1-61-174.7-174.9-1712114.4
354G82.1Confident86.1Confident13 Ų1353.3 Ų53.313%0.13426%0.263CS..  trans-75.9133.9-177.600000112.6N358G354-N358 WeakPolarHBondContact O-CB 3.43Å; G354-N358 PolarHBondContact O-N 2.92Å
355Y84.6Confident86.2Confident179 Ų17953.3 Ų53.370%0.70226%0.263SS*.Hα-helixtrans-62-50.5179.7-178.6-96.5000112.4S357 N358 L359Y355-S357 PolarHBondContact O-N 3.48Å; Y355-N358 PolarHBondContact O-N 3.27Å; Y355-L359 HydrophobicContact CE1-CD1 4.22Å; Y355-L359 PolarHBondContact O-N 2.85Å
356T86Confident86.1Confident75 Ų7553.1 Ų53.146%0.4626%0.262SS..Hα-helixtrans-61.6-45.2179.6-490000111.5T315 N358 L359 E360T315-T356 HydrophobicContact CG2-CG2 4.15Å; T356-N358 PolarHBondContact O-N 3.47Å; T356-L359 PolarHBondContact O-N 3.2Å; T356-E360 HydrophobicContact CG2-CG 4.31Å; T356-E360 WeakPolarHBondContact O-CB 3.46Å; T356-E360 WeakPolarHBondContact O-CG 3.42Å; T356-E360 PolarHBondContact O-N 3.06Å
357S84.8Confident86.1Confident3 Ų348.8 Ų48.82%0.02124%0.243CC..Hα-helixtrans-57.2-48.2174.21740000111.7R318 L351 Y355 L359 N361R318-S357 WeakPolarHBondContact CD-OG 3.46Å; L351-S357 PolarHBondContact O-OG 3.31Å; Y355-S357 PolarHBondContact O-N 3.48Å; S357-L359 VanDerWaalsContact C-N 3.28Å; S357-L359 PolarHBondContact O-N 2.88Å; S357-N361 WeakPolarHBondContact O-CA 3.43Å; S357-N361 WeakPolarHBondContact O-CB 3.45Å; S357-N361 PolarHBondContact O-N 3.13Å; S357-N361 PolarHBondContact O-ND2 2.78Å; S357-N361 PolarHBondContact OG-ND2 3.46Å
358N85.4Confident86.6Confident51 Ų5146.8 Ų46.827%0.27323%0.234SC..Hα-helixtrans-61.8-39.7-179.1-164.6-64.1000111.5G354 Y355 T356 R362G354-N358 WeakPolarHBondContact O-CB 3.43Å; G354-N358 PolarHBondContact O-N 2.92Å; Y355-N358 PolarHBondContact O-N 3.27Å; T356-N358 PolarHBondContact O-N 3.47Å; N358-R362 VanDerWaalsContact O-CB 3.26Å; N358-R362 WeakPolarHBondContact O-CB 3.26Å; N358-R362 PolarHBondContact O-N 3.28Å
359L84.4Confident87.1Confident95 Ų9544.2 Ų44.250%0.49721%0.208SC..Hα-helixtrans-70.6-47.4-179.1-171.3138.5000112.4Y355 T356 S357Y355-L359 HydrophobicContact CE1-CD1 4.22Å; Y355-L359 PolarHBondContact O-N 2.85Å; T356-L359 PolarHBondContact O-N 3.2Å; S357-L359 VanDerWaalsContact C-N 3.28Å; S357-L359 PolarHBondContact O-N 2.88Å
360E85.6Confident87.6Confident81 Ų8141.9 Ų41.938%0.37920%0.196SC..Hα-helixtrans-75.8-38.7-177.6-67.4-179.8167.900112.6T315 T356T315-E360 PolarHBondContact OG1-OE2 3.49Å; T356-E360 HydrophobicContact CG2-CG 4.31Å; T356-E360 WeakPolarHBondContact O-CB 3.46Å; T356-E360 WeakPolarHBondContact O-CG 3.42Å; T356-E360 PolarHBondContact O-N 3.06Å
361N89Confident88Confident0 Ų042.5 Ų42.50%020%0.2CC..Hα-helixtrans-90.9-5-172.1-62.9-35.4000114.2T315 K319 I322 L351 S357 S363 Y364 F365T315-N361 PolarHBondContact O-ND2 2.98Å; T315-N361 VanDerWaalsContact O-ND2 3.13Å; K319-N361 WeakPolarHBondContact CB-OD1 3.46Å; I322-N361 HydrophobicContact CD1-CB 3.88Å; L351-N361 HydrophobicContact CD2-CB 4.12Å; S357-N361 WeakPolarHBondContact O-CA 3.43Å; S357-N361 WeakPolarHBondContact O-CB 3.45Å; S357-N361 PolarHBondContact O-N 3.13Å; S357-N361 PolarHBondContact O-ND2 2.78Å; S357-N361 PolarHBondContact OG-ND2 3.46Å; N361-S363 PolarHBondContact O-N 3.49Å; N361-Y364 PolarHBondContact O-N 2.88Å; N361-F365 WeakPolarHBondContact O-CB 3.15Å; N361-F365 PolarHBondContact O-N 2.9Å
362R88.7Confident88.5Confident53 Ų5342.5 Ų42.520%0.220%0.2CC..Hα-helixtrans-54.9-49-176.5-149.7-176.4161.782.2-4.7112.6N358 F365 M366 D398N358-R362 VanDerWaalsContact O-CB 3.26Å; N358-R362 WeakPolarHBondContact O-CB 3.26Å; N358-R362 PolarHBondContact O-N 3.28Å; R362-F365 PolarHBondContact O-N 3.29Å; R362-M366 HydrophobicContact CG-CE 3.59Å; R362-M366 VanDerWaalsContact NE-CE 3.26Å; R362-M366 VanDerWaalsContact O-CG 3.3Å; R362-M366 WeakPolarHBondContact O-CG 3.4Å; R362-M366 PolarHBondContact O-N 3.12Å; R362-D398 IonicContact CZ-OD2 2.74Å; R362-D398 VanDerWaalsContact CZ-OD2 3.28Å; R362-D398 IonicContact NE-OD2 2.66Å; R362-D398 PolarHBondContact NE-OD2 3.34Å; R362-D398 IonicContact NH2-OD2 3.94Å; R362-D398 PolarHBondContact NH2-OD2 3.05Å
363S87.4Confident89.1Confident22 Ų2242 Ų4215%0.15419%0.194CC..Hα-helixtrans-64.7-45.2-178.148.90000111.7N361 F365 M366 A367 F528N361-S363 PolarHBondContact O-N 3.49Å; S363-F365 VanDerWaalsContact C-N 3.34Å; S363-F365 PolarHBondContact O-N 3.1Å; S363-M366 PolarHBondContact O-N 3.21Å; S363-A367 WeakPolarHBondContact O-CB 3.2Å; S363-A367 PolarHBondContact O-N 2.71Å; S363-F528 VanDerWaalsContact OG-CD1 3.31Å; S363-F528 WeakPolarHBondContact OG-CD1 3.32Å
364Y88.4Confident89.6Confident27 Ų2730.8 Ų30.811%0.10615%0.153CC..Hα-helixtrans-60.9-42.5175.4-62-77000112K319 L323 N361 T368 F528K319-Y364 HydrophobicContact CD-CD2 4.37Å; K319-Y364 HydrophobicContact CD-CE2 3.95Å; K319-Y364 WeakPolarHBondContact CE-OH 3.42Å; K319-Y364 HydrophobicContact CG-CD2 4.2Å; K319-Y364 HydrophobicContact CG-CE2 4.27Å; K319-Y364 HydrophobicContact CG-CG 4.4Å; K319-Y364 PolarHBondContact NZ-OH 3.33Å; L323-Y364 HydrophobicContact CD2-CD1 3.74Å; L323-Y364 HydrophobicContact CD2-CE1 4.34Å; L323-Y364 HydrophobicContact CG-CD1 4.38Å; N361-Y364 PolarHBondContact O-N 2.88Å; Y364-T368 VanDerWaalsContact O-CB 3.3Å; Y364-T368 WeakPolarHBondContact O-CB 3.35Å; Y364-T368 PolarHBondContact O-N 3.4Å; Y364-T368 PolarHBondContact O-OG1 3.43Å; Y364-F528 HydrophobicContact CD1-CD1 4.01Å; Y364-F528 HydrophobicContact CD1-CD2 4.44Å; Y364-F528 AromaticContact CD1-CE1 3.34Å; Y364-F528 HydrophobicContact CD1-CE1 3.34Å; Y364-F528 AromaticContact CD1-CE2 3.91Å; Y364-F528 HydrophobicContact CD1-CE2 3.91Å; Y364-F528 AromaticContact CD1-CZ 3.32Å; Y364-F528 HydrophobicContact CD1-CZ 3.32Å; Y364-F528 HydrophobicContact CD2-CD1 4.31Å; Y364-F528 HydrophobicContact CD2-CE1 4.26Å; Y364-F528 AromaticContact CE1-CD1 3.66Å; Y364-F528 HydrophobicContact CE1-CD1 3.66Å; Y364-F528 AromaticContact CE1-CD2 3.52Å; Y364-F528 HydrophobicContact CE1-CD2 3.52Å; Y364-F528 AromaticContact CE1-CE1 3.38Å; Y364-F528 HydrophobicContact CE1-CE1 3.38Å; Y364-F528 AromaticContact CE1-CE2 3.28Å; Y364-F528 HydrophobicContact CE1-CE2 3.28Å; Y364-F528 AromaticContact CE1-CG 3.76Å; Y364-F528 HydrophobicContact CE1-CG 3.76Å; Y364-F528 AromaticContact CE1-CZ 3.21Å; Y364-F528 HydrophobicContact CE1-CZ 3.21Å; Y364-F528 HydrophobicContact CE2-CD1 4.01Å; Y364-F528 HydrophobicContact CE2-CE1 4.3Å; Y364-F528 HydrophobicContact CE2-CG 4.28Å; Y364-F528 HydrophobicContact CG-CD1 4.32Å; Y364-F528 AromaticContact CG-CE1 3.82Å; Y364-F528 HydrophobicContact CG-CE1 3.82Å; Y364-F528 HydrophobicContact CG-CZ 4.25Å; Y364-F528 AromaticContact CZ-CD1 3.65Å; Y364-F528 AromaticContact CZ-CD2 3.71Å; Y364-F528 AromaticContact CZ-CE1 3.87Å; Y364-F528 AromaticContact CZ-CE2 3.98Å; Y364-F528 AromaticContact CZ-CG 3.59Å
365F91.9Very high90.2Very high0 Ų033.5 Ų33.50%016%0.16CC..Hα-helixtrans-61.8-49.4175.4166.1-99.7000111.5E347 L350 L351 N361 R362 S363 A367 T368 I369 M391 Y395E347-F365 HydrophobicContact CG-CE1 4.13Å; E347-F365 HydrophobicContact CG-CZ 4.33Å; L350-F365 HydrophobicContact CB-CD2 3.65Å; L350-F365 HydrophobicContact CB-CE2 3.7Å; L350-F365 HydrophobicContact CD1-CD2 3.87Å; L350-F365 HydrophobicContact CD1-CE2 3.76Å; L350-F365 HydrophobicContact CG-CD2 4.33Å; L350-F365 HydrophobicContact CG-CE2 4.11Å; L351-F365 HydrophobicContact CD1-CD1 4.09Å; L351-F365 HydrophobicContact CD1-CE1 4.38Å; L351-F365 HydrophobicContact CD1-CG 4.39Å; L351-F365 HydrophobicContact CD2-CB 3.54Å; L351-F365 HydrophobicContact CD2-CD1 4.33Å; L351-F365 HydrophobicContact CD2-CD2 4.48Å; L351-F365 HydrophobicContact CD2-CG 3.89Å; L351-F365 HydrophobicContact CG-CB 4.22Å; L351-F365 HydrophobicContact CG-CD1 4.21Å; L351-F365 HydrophobicContact CG-CD2 4.32Å; L351-F365 HydrophobicContact CG-CG 4Å; N361-F365 WeakPolarHBondContact O-CB 3.15Å; N361-F365 PolarHBondContact O-N 2.9Å; R362-F365 PolarHBondContact O-N 3.29Å; S363-F365 VanDerWaalsContact C-N 3.34Å; S363-F365 PolarHBondContact O-N 3.1Å; F365-A367 PolarHBondContact O-N 2.96Å; F365-T368 PolarHBondContact O-N 3.29Å; F365-I369 HydrophobicContact CD2-CG1 3.95Å; F365-I369 HydrophobicContact CE1-CG1 4.4Å; F365-I369 HydrophobicContact CE2-CD1 4.09Å; F365-I369 HydrophobicContact CE2-CG1 3.65Å; F365-I369 HydrophobicContact CG-CG1 4.46Å; F365-I369 HydrophobicContact CZ-CG1 3.92Å; F365-I369 WeakPolarHBondContact O-CG1 3.45Å; F365-I369 PolarHBondContact O-N 3.38Å; F365-M391 HydrophobicContact CE1-CE 3.27Å; F365-M391 HydrophobicContact CZ-CE 3.4Å; F365-M391 VanDerWaalsContact CZ-CE 3.4Å; F365-Y395 WeakPolarHBondContact CE1-OH 3.48Å
366M90.2Very high90.7Very high2 Ų225 Ų251%0.0113%0.126CC..Hα-helixtrans-58.8-46.2178.5-69.9-175-158.300112R362 S363 T368 G370 Y395 C401 L405R362-M366 HydrophobicContact CG-CE 3.59Å; R362-M366 VanDerWaalsContact NE-CE 3.26Å; R362-M366 VanDerWaalsContact O-CG 3.3Å; R362-M366 WeakPolarHBondContact O-CG 3.4Å; R362-M366 PolarHBondContact O-N 3.12Å; S363-M366 PolarHBondContact O-N 3.21Å; M366-T368 VanDerWaalsContact C-N 3.34Å; M366-T368 PolarHBondContact O-N 3.05Å; M366-G370 PolarHBondContact O-N 3.2Å; M366-Y395 HydrophobicContact CE-CD1 3.2Å; M366-Y395 HydrophobicContact CE-CD2 4.15Å; M366-Y395 HydrophobicContact CE-CE1 3.28Å; M366-Y395 HydrophobicContact CE-CE2 4.19Å; M366-Y395 HydrophobicContact CE-CG 3.67Å; M366-Y395 HydrophobicContact CG-CD2 3.87Å; M366-Y395 HydrophobicContact CG-CE1 4.41Å; M366-Y395 HydrophobicContact CG-CE2 3.65Å; M366-Y395 HydrophobicContact CG-CG 4.31Å; M366-Y395 HydrophobicContact SD-CD1 3.83Å; M366-Y395 HydrophobicContact SD-CD2 3.73Å; M366-Y395 HydrophobicContact SD-CE1 4.16Å; M366-Y395 HydrophobicContact SD-CE2 4.05Å; M366-Y395 HydrophobicContact SD-CG 3.59Å; M366-Y395 VanDerWaalsContact SD-CG 3.59Å; M366-C401 VanDerWaalsContact CE-SG 3.51Å; M366-C401 VanDerWaalsContact SD-SG 3.68Å; M366-L405 HydrophobicContact CB-CD1 4.32Å; M366-L405 HydrophobicContact SD-CD2 3.98Å
367A89.9Confident91Very high9 Ų923.3 Ų23.37%0.07411%0.111CC..Hα-helixtrans-61.4-43.4177.500000111.6S363 F365 G370 D371S363-A367 WeakPolarHBondContact O-CB 3.2Å; S363-A367 PolarHBondContact O-N 2.71Å; F365-A367 PolarHBondContact O-N 2.96Å; A367-G370 PolarHBondContact O-N 3.02Å; A367-D371 PolarHBondContact O-N 2.9Å
368T93.2Very high91.4Very high1 Ų126.5 Ų26.51%0.00613%0.125CC..Hα-helixtrans-64.2-49.9-180-59.20000112.3I322 L325 R326 Y364 F365 M366 G370 D371 F372I322-T368 HydrophobicContact CG2-CG2 4.44Å; I322-T368 VanDerWaalsContact CG2-OG1 3.31Å; I322-T368 WeakPolarHBondContact CG2-OG1 3.34Å; I322-T368 PolarHBondContact O-OG1 3.17Å; L325-T368 HydrophobicContact CB-CG2 3.73Å; R326-T368 HydrophobicContact CB-CG2 3.94Å; R326-T368 WeakPolarHBondContact CB-OG1 3.18Å; Y364-T368 VanDerWaalsContact O-CB 3.3Å; Y364-T368 WeakPolarHBondContact O-CB 3.35Å; Y364-T368 PolarHBondContact O-N 3.4Å; Y364-T368 PolarHBondContact O-OG1 3.43Å; F365-T368 PolarHBondContact O-N 3.29Å; M366-T368 VanDerWaalsContact C-N 3.34Å; M366-T368 PolarHBondContact O-N 3.05Å; T368-G370 VanDerWaalsContact C-N 3.26Å; T368-G370 PolarHBondContact O-N 2.94Å; T368-D371 PolarHBondContact O-N 3.39Å; T368-F372 HydrophobicContact CG2-CD2 4.19Å; T368-F372 HydrophobicContact CG2-CE2 4.14Å; T368-F372 WeakPolarHBondContact O-CD2 3.36Å; T368-F372 PolarHBondContact O-N 3.24Å; T368-F372 VanDerWaalsContact O-N 3.14Å
369I94.7Very high91.6Very high0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-63.3-38.1175.9-61.7-57.1000110.1M344 L345 L350 F365 D371 F372 L373 F392M344-I369 HydrophobicContact CB-CD1 3.92Å; M344-I369 HydrophobicContact CE-CD1 3.85Å; L345-I369 HydrophobicContact CD2-CG2 3.84Å; L350-I369 HydrophobicContact CD1-CD1 3.94Å; F365-I369 HydrophobicContact CD2-CG1 3.95Å; F365-I369 HydrophobicContact CE1-CG1 4.4Å; F365-I369 HydrophobicContact CE2-CD1 4.09Å; F365-I369 HydrophobicContact CE2-CG1 3.65Å; F365-I369 HydrophobicContact CG-CG1 4.46Å; F365-I369 HydrophobicContact CZ-CG1 3.92Å; F365-I369 WeakPolarHBondContact O-CG1 3.45Å; F365-I369 PolarHBondContact O-N 3.38Å; I369-D371 PolarHBondContact O-N 3.03Å; I369-F372 PolarHBondContact O-N 3Å; I369-L373 HydrophobicContact CG2-CD1 3.82Å; I369-L373 HydrophobicContact CG2-CG 4.09Å; I369-L373 WeakPolarHBondContact O-CB 3.22Å; I369-L373 VanDerWaalsContact O-CG 3.26Å; I369-L373 WeakPolarHBondContact O-CG 3.1Å; I369-L373 PolarHBondContact O-N 3.33Å; I369-F392 HydrophobicContact CB-CE2 4.28Å; I369-F392 HydrophobicContact CB-CZ 4.05Å; I369-F392 HydrophobicContact CG2-CE2 3.59Å; I369-F392 HydrophobicContact CG2-CZ 3.8Å
370G94Very high91.9Very high3 Ų324.4 Ų24.43%0.03111%0.114CC..Hα-helixtrans-57.7-46.9176.100000112.7M366 A367 T368 L373 H374M366-G370 PolarHBondContact O-N 3.2Å; A367-G370 PolarHBondContact O-N 3.02Å; T368-G370 VanDerWaalsContact C-N 3.26Å; T368-G370 PolarHBondContact O-N 2.94Å; G370-L373 PolarHBondContact O-N 2.99Å; G370-H374 WeakPolarHBondContact O-CB 3.42Å; G370-H374 PolarHBondContact O-N 3.39Å
371D94.8Very high92.1Very high13 Ų1328.1 Ų28.17%0.0713%0.129CC..Hα-helixtrans-62.7-45.2176.6-72-18.2000111.3R326 S329 A367 T368 I369 L373 H374 Y375R326-D371 VanDerWaalsContact CG-OD2 3.27Å; R326-D371 WeakPolarHBondContact CG-OD2 3.5Å; R326-D371 IonicContact CZ-OD2 3.21Å; R326-D371 IonicContact NE-OD2 2.95Å; R326-D371 PolarHBondContact NE-OD2 3.07Å; R326-D371 IonicContact NH2-OD2 3.89Å; S329-D371 VanDerWaalsContact OG-CB 3.22Å; S329-D371 WeakPolarHBondContact OG-CB 3.44Å; A367-D371 PolarHBondContact O-N 2.9Å; T368-D371 PolarHBondContact O-N 3.39Å; I369-D371 PolarHBondContact O-N 3.03Å; D371-L373 PolarHBondContact O-N 2.88Å; D371-H374 PolarHBondContact O-N 3.42Å; D371-Y375 HydrophobicContact CB-CD2 4.46Å; D371-Y375 HydrophobicContact CB-CE2 4.4Å; D371-Y375 WeakPolarHBondContact O-CD2 3.49Å; D371-Y375 PolarHBondContact O-N 3Å
372F96.2Very high91.9Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-59.1-47.5175-87.6-71.7000112.2L325 F328 F337 M341 M344 T368 I369 H374 Y375 L376L325-F372 HydrophobicContact CB-CE2 4.2Å; L325-F372 WeakPolarHBondContact O-CE2 3.32Å; L325-F372 VanDerWaalsContact O-CZ 3.29Å; L325-F372 WeakPolarHBondContact O-CZ 3.42Å; F328-F372 HydrophobicContact CB-CZ 4.27Å; F337-F372 HydrophobicContact CB-CD1 4.23Å; F337-F372 HydrophobicContact CB-CE1 3.67Å; F337-F372 HydrophobicContact CB-CZ 4.38Å; F337-F372 HydrophobicContact CD1-CE1 4.19Å; F337-F372 HydrophobicContact CD1-CZ 4.06Å; F337-F372 HydrophobicContact CD2-CE1 4.01Å; F337-F372 HydrophobicContact CD2-CZ 4.29Å; F337-F372 HydrophobicContact CE1-CZ 4.44Å; F337-F372 AromaticContact CG-CE1 3.69Å; F337-F372 HydrophobicContact CG-CE1 3.69Å; F337-F372 AromaticContact CG-CZ 3.98Å; F337-F372 HydrophobicContact CG-CZ 3.98Å; M341-F372 HydrophobicContact CE-CB 3.79Å; M341-F372 HydrophobicContact SD-CB 4Å; M341-F372 HydrophobicContact SD-CD1 4.21Å; M341-F372 HydrophobicContact SD-CG 4.24Å; M344-F372 HydrophobicContact CE-CD2 3.67Å; M344-F372 HydrophobicContact CE-CE2 3.64Å; M344-F372 HydrophobicContact CE-CG 4.28Å; M344-F372 HydrophobicContact CE-CZ 4.23Å; T368-F372 HydrophobicContact CG2-CD2 4.19Å; T368-F372 HydrophobicContact CG2-CE2 4.14Å; T368-F372 WeakPolarHBondContact O-CD2 3.36Å; T368-F372 PolarHBondContact O-N 3.24Å; T368-F372 VanDerWaalsContact O-N 3.14Å; I369-F372 PolarHBondContact O-N 3Å; F372-H374 VanDerWaalsContact C-N 3.3Å; F372-H374 PolarHBondContact O-N 3.38Å; F372-Y375 PolarHBondContact O-N 3.5Å; F372-L376 HydrophobicContact CD1-CD1 3.9Å; F372-L376 WeakPolarHBondContact O-CB 3.44Å; F372-L376 WeakPolarHBondContact O-CG 3.37Å; F372-L376 PolarHBondContact O-N 2.88Å
373L95.8Very high91.8Very high1 Ų133 Ų331%0.00517%0.174CC..Hα-helixtrans-62.5-38.6178.6-72.2174.4000111.7M341 L345 I369 G370 D371 R377 L380 A388 F392 V412 V416M341-L373 HydrophobicContact CE-CD2 3.97Å; M341-L373 HydrophobicContact CE-CG 4.37Å; L345-L373 HydrophobicContact CD2-CD1 4.42Å; L345-L373 HydrophobicContact CD2-CD2 4.5Å; I369-L373 HydrophobicContact CG2-CD1 3.82Å; I369-L373 HydrophobicContact CG2-CG 4.09Å; I369-L373 WeakPolarHBondContact O-CB 3.22Å; I369-L373 VanDerWaalsContact O-CG 3.26Å; I369-L373 WeakPolarHBondContact O-CG 3.1Å; I369-L373 PolarHBondContact O-N 3.33Å; G370-L373 PolarHBondContact O-N 2.99Å; D371-L373 PolarHBondContact O-N 2.88Å; L373-R377 WeakPolarHBondContact O-CA 3.35Å; L373-R377 WeakPolarHBondContact O-CB 3.35Å; L373-R377 PolarHBondContact O-N 3.19Å; L373-R377 VanDerWaalsContact O-N 3.07Å; L373-L380 HydrophobicContact CD2-CD1 3.74Å; L373-A388 HydrophobicContact CD1-CB 3.77Å; L373-A388 HydrophobicContact CD2-CB 3.55Å; L373-A388 HydrophobicContact CG-CB 4.33Å; L373-F392 HydrophobicContact CD1-CD2 3.79Å; L373-F392 HydrophobicContact CD1-CE2 3.34Å; L373-F392 HydrophobicContact CD1-CZ 3.79Å; L373-V412 HydrophobicContact CB-CG1 3.81Å; L373-V412 HydrophobicContact CD1-CG1 3.83Å; L373-V416 HydrophobicContact CB-CG2 3.84Å; L373-V416 HydrophobicContact CD1-CG2 4.48Å; L373-V416 HydrophobicContact CD2-CG2 4.39Å; L373-V416 HydrophobicContact CG-CG2 4.47Å
374H94.1Very high92Very high19 Ų1932.6 Ų32.69%0.08817%0.171CC..Hα-helixtrans-63.9-53.1176.1177.660.9000111.7G370 D371 F372 R377 S415 L514G370-H374 WeakPolarHBondContact O-CB 3.42Å; G370-H374 PolarHBondContact O-N 3.39Å; D371-H374 PolarHBondContact O-N 3.42Å; F372-H374 VanDerWaalsContact C-N 3.3Å; F372-H374 PolarHBondContact O-N 3.38Å; H374-R377 PolarHBondContact CE1-NH1 2.95Å; H374-R377 PolarHBondContact ND1-NH1 3.43Å; H374-R377 PolarHBondContact NE2-NH1 3.34Å; H374-R377 VanDerWaalsContact O-CD 3.3Å; H374-R377 WeakPolarHBondContact O-CD 3.3Å; H374-R377 WeakPolarHBondContact O-CG 3.11Å; H374-R377 PolarHBondContact O-NH1 2.81Å; H374-S415 PolarHBondContact ND1-OG 2.98Å; H374-L514 WeakPolarHBondContact CE1-CD1 3.27Å; H374-L514 WeakPolarHBondContact ND1-CD1 3.3Å
375Y95Very high92.2Very high70 Ų7031.3 Ų31.328%0.27517%0.166SC..Hα-helixtrans-72.1-31.3-176.2-71.1-61.1000113.2S329 K330 D371 F372S329-Y375 WeakPolarHBondContact O-CD2 3.25Å; K330-Y375 HydrophobicContact CG-CE2 3.94Å; D371-Y375 HydrophobicContact CB-CD2 4.46Å; D371-Y375 HydrophobicContact CB-CE2 4.4Å; D371-Y375 WeakPolarHBondContact O-CD2 3.49Å; D371-Y375 PolarHBondContact O-N 3Å; F372-Y375 PolarHBondContact O-N 3.5Å
376L94.7Very high92.2Very high1 Ų131.8 Ų31.81%0.00517%0.171CC..Hα-helixtrans-94.73.3-178.9-59.3179.1000113.6R334 V338 M341 F372 F378 N379 L380R334-L376 HydrophobicContact CB-CD2 4.38Å; R334-L376 HydrophobicContact CG-CD2 4.03Å; V338-L376 HydrophobicContact CG2-CB 4.5Å; V338-L376 HydrophobicContact CG2-CD1 3.84Å; V338-L376 HydrophobicContact CG2-CD2 3.68Å; V338-L376 HydrophobicContact CG2-CG 4.22Å; M341-L376 HydrophobicContact CG-CD1 3.94Å; M341-L376 HydrophobicContact SD-CD1 3.77Å; F372-L376 HydrophobicContact CD1-CD1 3.9Å; F372-L376 WeakPolarHBondContact O-CB 3.44Å; F372-L376 WeakPolarHBondContact O-CG 3.37Å; F372-L376 PolarHBondContact O-N 2.88Å; L376-F378 PolarHBondContact O-N 2.95Å; L376-N379 WeakPolarHBondContact O-CA 3.33Å; L376-N379 PolarHBondContact O-N 3.41Å; L376-L380 HydrophobicContact CB-CD2 4.31Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 3.48Å
377R93.5Very high92.3Very high38 Ų3834.6 Ų34.614%0.14318%0.183CC..THydrogen-bonded Turntrans-47.4-35.4-172.667.5-169.2178.8-10310.2115.8L373 H374 S415L373-R377 WeakPolarHBondContact O-CA 3.35Å; L373-R377 WeakPolarHBondContact O-CB 3.35Å; L373-R377 PolarHBondContact O-N 3.19Å; L373-R377 VanDerWaalsContact O-N 3.07Å; H374-R377 PolarHBondContact CE1-NH1 2.95Å; H374-R377 PolarHBondContact ND1-NH1 3.43Å; H374-R377 PolarHBondContact NE2-NH1 3.34Å; H374-R377 VanDerWaalsContact O-CD 3.3Å; H374-R377 WeakPolarHBondContact O-CD 3.3Å; H374-R377 WeakPolarHBondContact O-CG 3.11Å; H374-R377 PolarHBondContact O-NH1 2.81Å; R377-S415 WeakPolarHBondContact CD-O 3.18Å; R377-S415 WeakPolarHBondContact CD-OG 3.27Å
378F92.4Very high92.5Very high70 Ų7034.2 Ų34.231%0.30718%0.18SC..THydrogen-bonded Turntrans-84.7-13.8179.7-55.3-56.7000113.5L376 K422 N423L376-F378 PolarHBondContact O-N 2.95Å; F378-K422 HydrophobicContact CD1-CB 4.38Å; F378-K422 HydrophobicContact CD1-CD 4.41Å; F378-K422 HydrophobicContact CE1-CB 4.35Å; F378-K422 HydrophobicContact CE1-CD 3.67Å; F378-K422 HydrophobicContact CE1-CG 4.47Å; F378-K422 HydrophobicContact CZ-CD 4.25Å; F378-N423 VanDerWaalsContact O-CG 3.3Å; F378-N423 PolarHBondContact O-ND2 3.26Å; F378-N423 PolarHBondContact O-OD1 3.03Å
379N90Very high92.6Very high93 Ų9334.3 Ų34.350%0.49718%0.181SC..THydrogen-bonded Turntrans-1050.9-178.6-61.5-32.7000112.7V338 L376V338-N379 HydrophobicContact CG1-CB 4.37Å; V338-N379 WeakPolarHBondContact CG1-O 3.35Å; V338-N379 HydrophobicContact CG2-CB 4.07Å; L376-N379 WeakPolarHBondContact O-CA 3.33Å; L376-N379 PolarHBondContact O-N 3.41Å
380L90.9Very high92.5Very high10 Ų1039.6 Ų39.65%0.05221%0.205CC..  trans-78.2137.5-178.3-65177.3000112M341 L373 L376 A385M341-L380 HydrophobicContact CB-CD2 4.24Å; M341-L380 HydrophobicContact CG-CD2 4.01Å; L373-L380 HydrophobicContact CD2-CD1 3.74Å; L376-L380 HydrophobicContact CB-CD2 4.31Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 3.48Å; L380-A385 HydrophobicContact CB-CB 4.21Å; L380-A385 HydrophobicContact CD1-CB 4.4Å
381K88.7Confident92.4Very high158 Ų15840 Ų4069%0.68721%0.207SC*.  trans-65.7144.2166.6-66.5179.2-178.5175.70109.8A383 T384 A385K381-A383 VanDerWaalsContact C-N 3.29Å; K381-A383 PolarHBondContact O-N 2.93Å; K381-T384 PolarHBondContact O-N 3.43Å; K381-T384 VanDerWaalsContact O-N 3.08Å; K381-A385 PolarHBondContact O-N 3.22Å
382P85.5Confident92.4Very high76 Ų7639.5 Ų39.549%0.49420%0.204SC..Hα-helixtrans-60.6-34.8-174.623-34.3000113.4G386 W442P382-G386 PolarHBondContact O-N 3.2Å; P382-W442 HydrophobicContact CB-CZ2 3.86Å
383A87.3Confident92.3Very high79 Ų7939.6 Ų39.665%0.65320%0.204SC*.Hα-helixtrans-65.5-44.1175.700000112.3K381 G386 K387K381-A383 VanDerWaalsContact C-N 3.29Å; K381-A383 PolarHBondContact O-N 2.93Å; A383-G386 PolarHBondContact O-N 3.3Å; A383-K387 PolarHBondContact O-N 3.5Å
384T92Very high92.1Very high14 Ų1446 Ų469%0.08623%0.229CC..Hα-helixtrans-65.9-42.5177.6-53.40000111.2M341 N342 L345 K381 G386 K387 A388M341-T384 HydrophobicContact CB-CG2 4.04Å; N342-T384 HydrophobicContact CB-CG2 4.22Å; L345-T384 HydrophobicContact CD1-CG2 3.77Å; L345-T384 WeakPolarHBondContact CD1-O 3.35Å; K381-T384 PolarHBondContact O-N 3.43Å; K381-T384 VanDerWaalsContact O-N 3.08Å; T384-G386 VanDerWaalsContact C-N 3.32Å; T384-G386 PolarHBondContact O-N 2.95Å; T384-K387 PolarHBondContact O-N 3.1Å; T384-A388 WeakPolarHBondContact O-CB 3.43Å; T384-A388 PolarHBondContact O-N 3Å
385A91.6Very high91.8Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-62.4-39.9175.100000111.8L380 K381 A388 V389 V416 M420L380-A385 HydrophobicContact CB-CB 4.21Å; L380-A385 HydrophobicContact CD1-CB 4.4Å; K381-A385 PolarHBondContact O-N 3.22Å; A385-A388 WeakPolarHBondContact O-CB 3.3Å; A385-A388 PolarHBondContact O-N 3.41Å; A385-V389 WeakPolarHBondContact O-CG2 3.14Å; A385-V389 PolarHBondContact O-N 2.83Å; A385-V416 HydrophobicContact CB-CG1 3.9Å; A385-M420 HydrophobicContact CB-CE 3.6Å; A385-M420 HydrophobicContact CB-CG 3.59Å; A385-M420 HydrophobicContact CB-SD 3.54Å; A385-M420 VanDerWaalsContact CB-SD 3.54Å
386G91.3Very high91.6Very high11 Ų1141.9 Ų41.911%0.11321%0.212CC..Hα-helixtrans-60.8-46.4173.400000113.2P382 A383 T384 A388 V389 Q390P382-G386 PolarHBondContact O-N 3.2Å; A383-G386 PolarHBondContact O-N 3.3Å; T384-G386 VanDerWaalsContact C-N 3.32Å; T384-G386 PolarHBondContact O-N 2.95Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.14Å; G386-V389 PolarHBondContact O-N 2.99Å; G386-Q390 WeakPolarHBondContact O-CG 3.47Å; G386-Q390 PolarHBondContact O-N 3.4Å
387K92.3Very high91.1Very high61 Ų6147.1 Ų47.127%0.26524%0.236SC..Hα-helixtrans-59.3-42.8174.6-173.9-178.7179.8-175.70111.2N342 L345 E346 A383 T384 Q390 M391N342-K387 PolarHBondContact O-NZ 2.83Å; L345-K387 HydrophobicContact CB-CD 4.07Å; L345-K387 HydrophobicContact CB-CG 4.36Å; L345-K387 HydrophobicContact CD1-CB 4.11Å; L345-K387 HydrophobicContact CD1-CD 4.17Å; L345-K387 HydrophobicContact CD1-CG 4.14Å; E346-K387 VanDerWaalsContact CG-NZ 3.3Å; E346-K387 IonicContact OE1-NZ 2.99Å; E346-K387 PolarHBondContact OE1-NZ 2.88Å; A383-K387 PolarHBondContact O-N 3.5Å; T384-K387 PolarHBondContact O-N 3.1Å; K387-Q390 PolarHBondContact O-N 2.9Å; K387-M391 WeakPolarHBondContact O-CB 3.41Å; K387-M391 PolarHBondContact O-N 3.23Å
388A94.7Very high90.7Very high1 Ų146.2 Ų46.21%0.00823%0.234CC..Hα-helixtrans-61.9-48178.200000112.3L345 L373 T384 A385 G386 Q390 M391 F392L345-A388 HydrophobicContact CD1-CB 3.87Å; L345-A388 HydrophobicContact CD2-CB 3.85Å; L373-A388 HydrophobicContact CD1-CB 3.77Å; L373-A388 HydrophobicContact CD2-CB 3.55Å; L373-A388 HydrophobicContact CG-CB 4.33Å; T384-A388 WeakPolarHBondContact O-CB 3.43Å; T384-A388 PolarHBondContact O-N 3Å; A385-A388 WeakPolarHBondContact O-CB 3.3Å; A385-A388 PolarHBondContact O-N 3.41Å; G386-A388 VanDerWaalsContact C-N 3.32Å; G386-A388 PolarHBondContact O-N 3.14Å; A388-Q390 VanDerWaalsContact C-N 3.35Å; A388-Q390 PolarHBondContact O-N 3.25Å; A388-M391 PolarHBondContact O-N 2.93Å; A388-F392 WeakPolarHBondContact O-CD2 3.39Å; A388-F392 PolarHBondContact O-N 3.45Å
389V95Very high90Very high2 Ų247.1 Ų47.11%0.01225%0.247CC..Hα-helixtrans-60.1-45.2177.7170.10000111.1A385 G386 M391 F392 A393 I413 V416 L417 M420 L445 V449A385-V389 WeakPolarHBondContact O-CG2 3.14Å; A385-V389 PolarHBondContact O-N 2.83Å; G386-V389 PolarHBondContact O-N 2.99Å; V389-M391 PolarHBondContact O-N 3.48Å; V389-F392 PolarHBondContact O-N 3.16Å; V389-A393 WeakPolarHBondContact O-CB 3.12Å; V389-A393 PolarHBondContact O-N 3.43Å; V389-I413 HydrophobicContact CG1-CG2 4.25Å; V389-V416 HydrophobicContact CG2-CB 4.23Å; V389-V416 HydrophobicContact CG2-CG1 3.75Å; V389-L417 HydrophobicContact CG2-CD2 4.28Å; V389-M420 HydrophobicContact CG2-SD 4.42Å; V389-L445 HydrophobicContact CB-CD1 4.25Å; V389-L445 HydrophobicContact CB-CD2 4.46Å; V389-L445 HydrophobicContact CG1-CD1 3.78Å; V389-L445 HydrophobicContact CG1-CD2 4.45Å; V389-L445 HydrophobicContact CG1-CG 4.18Å; V389-V449 HydrophobicContact CG1-CG2 3.2Å
390Q92.9Very high89.5Confident111 Ų11149.5 Ų49.552%0.51925%0.253SS..Hα-helixtrans-62.5-42.8178.1-72.7176.8-700112.4G386 K387 A388 A393 R394 L445 F448G386-Q390 WeakPolarHBondContact O-CG 3.47Å; G386-Q390 PolarHBondContact O-N 3.4Å; K387-Q390 PolarHBondContact O-N 2.9Å; A388-Q390 VanDerWaalsContact C-N 3.35Å; A388-Q390 PolarHBondContact O-N 3.25Å; Q390-A393 PolarHBondContact O-N 3.32Å; Q390-R394 PolarHBondContact O-N 3.41Å; Q390-L445 HydrophobicContact CG-CD1 3.95Å; Q390-F448 HydrophobicContact CG-CE1 4.4Å
391M92.4Very high89Confident12 Ų1249.4 Ų49.46%0.05925%0.253CS..Hα-helixtrans-62.2-50.6177.2178.7-173.2178.100111.6L345 E347 F365 K387 A388 V389 A393 R394 Y395L345-M391 HydrophobicContact CB-SD 4.16Å; L345-M391 HydrophobicContact CD2-SD 3.72Å; L345-M391 VanDerWaalsContact O-SD 3.38Å; E347-M391 HydrophobicContact CG-CE 3.75Å; F365-M391 HydrophobicContact CE1-CE 3.27Å; F365-M391 HydrophobicContact CZ-CE 3.4Å; F365-M391 VanDerWaalsContact CZ-CE 3.4Å; K387-M391 WeakPolarHBondContact O-CB 3.41Å; K387-M391 PolarHBondContact O-N 3.23Å; A388-M391 PolarHBondContact O-N 2.93Å; V389-M391 PolarHBondContact O-N 3.48Å; M391-A393 VanDerWaalsContact C-N 3.31Å; M391-A393 PolarHBondContact O-N 3.48Å; M391-R394 WeakPolarHBondContact O-CB 3.3Å; M391-R394 PolarHBondContact O-N 3.5Å; M391-Y395 HydrophobicContact CE-CE2 3.91Å; M391-Y395 VanDerWaalsContact CE-OH 3.23Å; M391-Y395 WeakPolarHBondContact CE-OH 3.48Å; M391-Y395 HydrophobicContact CG-CE2 3.94Å
392F94.5Very high88.8Confident3 Ų342.9 Ų42.91%0.01323%0.228CC..Hα-helixtrans-67-32.8-179.6-85.1-109.8000112.1I369 L373 A388 V389 R394 Y395 V396 V409 V412 I413I369-F392 HydrophobicContact CB-CE2 4.28Å; I369-F392 HydrophobicContact CB-CZ 4.05Å; I369-F392 HydrophobicContact CG2-CE2 3.59Å; I369-F392 HydrophobicContact CG2-CZ 3.8Å; L373-F392 HydrophobicContact CD1-CD2 3.79Å; L373-F392 HydrophobicContact CD1-CE2 3.34Å; L373-F392 HydrophobicContact CD1-CZ 3.79Å; A388-F392 WeakPolarHBondContact O-CD2 3.39Å; A388-F392 PolarHBondContact O-N 3.45Å; V389-F392 PolarHBondContact O-N 3.16Å; F392-R394 VanDerWaalsContact C-N 3.26Å; F392-R394 PolarHBondContact O-N 3.23Å; F392-Y395 HydrophobicContact CG-CD2 4.42Å; F392-Y395 WeakPolarHBondContact O-CB 3.42Å; F392-Y395 PolarHBondContact O-N 2.93Å; F392-V396 PolarHBondContact O-N 2.91Å; F392-V409 HydrophobicContact CB-CG1 3.95Å; F392-V409 HydrophobicContact CD1-CB 4.15Å; F392-V409 HydrophobicContact CD1-CG1 3.78Å; F392-V409 HydrophobicContact CD1-CG2 4Å; F392-V409 HydrophobicContact CE1-CG2 4.27Å; F392-V409 HydrophobicContact CG-CG1 4.31Å; F392-V409 WeakPolarHBondContact O-CG1 3.39Å; F392-V412 HydrophobicContact CD1-CB 3.97Å; F392-V412 HydrophobicContact CD1-CG1 3.83Å; F392-V412 HydrophobicContact CE1-CB 4.07Å; F392-V412 HydrophobicContact CE1-CG1 3.8Å; F392-V412 HydrophobicContact CE1-CG2 4.21Å; F392-V412 HydrophobicContact CG-CG1 4.4Å; F392-V412 HydrophobicContact CZ-CG1 4.3Å; F392-I413 HydrophobicContact CB-CD1 4.04Å; F392-I413 HydrophobicContact CB-CG1 3.7Å
393A93.5Very high88.8Confident1 Ų140 Ų401%0.00821%0.208CC..Hα-helixtrans-59-35.917400000112.7V389 Q390 M391 Y395 V396 I413 F448 V452V389-A393 WeakPolarHBondContact O-CB 3.12Å; V389-A393 PolarHBondContact O-N 3.43Å; Q390-A393 PolarHBondContact O-N 3.32Å; M391-A393 VanDerWaalsContact C-N 3.31Å; M391-A393 PolarHBondContact O-N 3.48Å; A393-Y395 VanDerWaalsContact C-N 3.29Å; A393-Y395 PolarHBondContact O-N 2.8Å; A393-V396 PolarHBondContact O-N 2.84Å; A393-I413 HydrophobicContact CB-CD1 4.47Å; A393-F448 HydrophobicContact CB-CE1 3.48Å; A393-F448 VanDerWaalsContact CB-CE1 3.48Å; A393-F448 HydrophobicContact CB-CZ 3.76Å; A393-V452 HydrophobicContact CB-CG1 4.1Å; A393-V452 HydrophobicContact CB-CG2 4.23Å; A393-V452 WeakPolarHBondContact O-CG1 3.27Å
394R91.3Very high88.8Confident137 Ų13737.4 Ų37.452%0.51718%0.182SC..Hα-helixtrans-64-35.2173.5-58-172.3-46.6168.49.4111.9E347 Q390 M391 F392 Q397 D398E347-R394 IonicContact OE1-CZ 3.21Å; E347-R394 IonicContact OE1-NH2 2.7Å; E347-R394 PolarHBondContact OE1-NH2 2.93Å; E347-R394 IonicContact OE2-NH2 3.34Å; E347-R394 PolarHBondContact OE2-NH2 3.41Å; Q390-R394 PolarHBondContact O-N 3.41Å; M391-R394 WeakPolarHBondContact O-CB 3.3Å; M391-R394 PolarHBondContact O-N 3.5Å; F392-R394 VanDerWaalsContact C-N 3.26Å; F392-R394 PolarHBondContact O-N 3.23Å; R394-Q397 PolarHBondContact O-N 3.45Å; R394-D398 PolarHBondContact O-N 2.97Å
395Y89.1Confident88.5Confident1 Ų136.9 Ų36.90%0.00418%0.179CC..Hα-helixtrans-74-26.8-179.6-59.4-40000113.9E347 F365 M366 M391 F392 A393 Q397 D398E347-Y395 VanDerWaalsContact OE1-CE1 3.32Å; E347-Y395 WeakPolarHBondContact OE1-CE1 3.04Å; E347-Y395 PolarHBondContact OE1-OH 3.16Å; F365-Y395 WeakPolarHBondContact CE1-OH 3.48Å; M366-Y395 HydrophobicContact CE-CD1 3.2Å; M366-Y395 HydrophobicContact CE-CD2 4.15Å; M366-Y395 HydrophobicContact CE-CE1 3.28Å; M366-Y395 HydrophobicContact CE-CE2 4.19Å; M366-Y395 HydrophobicContact CE-CG 3.67Å; M366-Y395 HydrophobicContact CG-CD2 3.87Å; M366-Y395 HydrophobicContact CG-CE1 4.41Å; M366-Y395 HydrophobicContact CG-CE2 3.65Å; M366-Y395 HydrophobicContact CG-CG 4.31Å; M366-Y395 HydrophobicContact SD-CD1 3.83Å; M366-Y395 HydrophobicContact SD-CD2 3.73Å; M366-Y395 HydrophobicContact SD-CE1 4.16Å; M366-Y395 HydrophobicContact SD-CE2 4.05Å; M366-Y395 HydrophobicContact SD-CG 3.59Å; M366-Y395 VanDerWaalsContact SD-CG 3.59Å; M391-Y395 HydrophobicContact CE-CE2 3.91Å; M391-Y395 VanDerWaalsContact CE-OH 3.23Å; M391-Y395 WeakPolarHBondContact CE-OH 3.48Å; M391-Y395 HydrophobicContact CG-CE2 3.94Å; F392-Y395 HydrophobicContact CG-CD2 4.42Å; F392-Y395 WeakPolarHBondContact O-CB 3.42Å; F392-Y395 PolarHBondContact O-N 2.93Å; A393-Y395 VanDerWaalsContact C-N 3.29Å; A393-Y395 PolarHBondContact O-N 2.8Å; Y395-Q397 PolarHBondContact O-N 2.84Å; Y395-Q397 VanDerWaalsContact O-N 3.15Å; Y395-D398 PolarHBondContact O-N 3.22Å
396V89.9Confident88.5Confident0 Ų036.9 Ų36.90%018%0.179CC..Hα-helixtrans-56.5-31172.2178.50000111.3F392 A393 V409 I410 I413 V452 R456F392-V396 PolarHBondContact O-N 2.91Å; A393-V396 PolarHBondContact O-N 2.84Å; V396-V409 HydrophobicContact CG2-CG1 3.58Å; V396-I410 HydrophobicContact CG1-CD1 3.95Å; V396-I410 HydrophobicContact CG1-CG1 4.01Å; V396-I410 HydrophobicContact CG2-CG1 3.72Å; V396-I413 HydrophobicContact CG2-CD1 3.77Å; V396-V452 HydrophobicContact CB-CG1 3.96Å; V396-V452 HydrophobicContact CG1-CG1 4.13Å; V396-V452 HydrophobicContact CG2-CG1 4.38Å; V396-R456 HydrophobicContact CG1-CB 4Å; V396-R456 HydrophobicContact CG1-CG 4.08Å
397Q84.6Confident88.5Confident112 Ų11236.5 Ų36.552%0.52317%0.174SC..THydrogen-bonded Turntrans-98.7-2.4-178.8-59.6-178.76.200113.4R394 Y395 P399 V452R394-Q397 PolarHBondContact O-N 3.45Å; Y395-Q397 PolarHBondContact O-N 2.84Å; Y395-Q397 VanDerWaalsContact O-N 3.15Å; Q397-P399 VanDerWaalsContact O-CD 3.27Å; Q397-P399 WeakPolarHBondContact O-CD 3.48Å; Q397-V452 HydrophobicContact CG-CG1 4.4Å
398D83.8Confident88.4Confident19 Ų1934.2 Ų34.210%0.10217%0.167CC..  trans-77.3112.2-174.9-172.1-14000110.8R362 R394 Y395 K400 C401 Q406R362-D398 IonicContact CZ-OD2 2.74Å; R362-D398 VanDerWaalsContact CZ-OD2 3.28Å; R362-D398 IonicContact NE-OD2 2.66Å; R362-D398 PolarHBondContact NE-OD2 3.34Å; R362-D398 IonicContact NH2-OD2 3.94Å; R362-D398 PolarHBondContact NH2-OD2 3.05Å; R394-D398 PolarHBondContact O-N 2.97Å; Y395-D398 PolarHBondContact O-N 3.22Å; D398-K400 PolarHBondContact O-N 2.95Å; D398-K400 WeakPolarHBondContact OD1-CB 3.27Å; D398-K400 PolarHBondContact OD1-N 3.35Å; D398-C401 PolarHBondContact O-N 3.01Å; D398-Q406 PolarHBondContact O-NE2 3.11Å
399P79.5Confident88.4Confident89 Ų8934.3 Ų34.358%0.57817%0.167SC*.THydrogen-bonded Turntrans-69.9-13.3-177.931.1-36.6000113.2Q397 C401 V535Q397-P399 VanDerWaalsContact O-CD 3.27Å; Q397-P399 WeakPolarHBondContact O-CD 3.48Å; P399-C401 VanDerWaalsContact C-N 3.26Å; P399-V535 WeakPolarHBondContact O-CG2 3.46Å
400K78.1Confident88.4Confident142 Ų14234.2 Ų34.262%0.61717%0.166SC*.THydrogen-bonded Turntrans-77.8-13.4176.4-60.2-177.4178.5-176.90112.8D398D398-K400 PolarHBondContact O-N 2.95Å; D398-K400 WeakPolarHBondContact OD1-CB 3.27Å; D398-K400 PolarHBondContact OD1-N 3.35Å
401C81.5Confident88.5Confident9 Ų929.4 Ų29.46%0.06115%0.147CC..SBendtrans-87.2142.7178.7-62.90000110.7M366 D398 P399 L405 Q406M366-C401 VanDerWaalsContact CE-SG 3.51Å; M366-C401 VanDerWaalsContact SD-SG 3.68Å; D398-C401 PolarHBondContact O-N 3.01Å; P399-C401 VanDerWaalsContact C-N 3.26Å; C401-L405 HydrophobicContact CB-CD2 4.12Å; C401-L405 HydrophobicContact CB-CG 4.46Å; C401-Q406 HydrophobicContact CB-CG 3.74Å; C401-Q406 PolarHBondContact O-NE2 2.9Å
402S84.7Confident88.7Confident21 Ų2129.3 Ų29.315%0.14715%0.147CC..  trans-62.6152.7172.6710000111.1Y404 L405 Q406 S526S402-Y404 PolarHBondContact O-N 3.35Å; S402-L405 PolarHBondContact O-N 2.95Å; S402-L405 VanDerWaalsContact O-N 3.14Å; S402-L405 WeakPolarHBondContact OG-CB 3.16Å; S402-L405 PolarHBondContact OG-N 3.5Å; S402-Q406 WeakPolarHBondContact O-CG 3.41Å; S402-Q406 PolarHBondContact O-N 3.42Å; S402-S526 PolarHBondContact OG-O 2.94Å
403P85.3Confident88.9Confident14 Ų1429.3 Ų29.39%0.09115%0.147CC..Hα-helixtrans-50.3-40.6173.5-29.636.7000113.1Q406 T407 V535 F537 E541 M545P403-Q406 PolarHBondContact O-N 2.87Å; P403-T407 PolarHBondContact O-N 3.47Å; P403-T407 PolarHBondContact O-OG1 2.98Å; P403-V535 HydrophobicContact CG-CG1 3.59Å; P403-F537 HydrophobicContact CB-CD1 3.8Å; P403-F537 HydrophobicContact CB-CE1 3.58Å; P403-F537 HydrophobicContact CB-CE2 4.45Å; P403-F537 HydrophobicContact CB-CG 4.34Å; P403-F537 HydrophobicContact CB-CZ 3.91Å; P403-F537 HydrophobicContact CG-CD1 4.32Å; P403-F537 HydrophobicContact CG-CD2 4.41Å; P403-F537 HydrophobicContact CG-CE1 4.3Å; P403-F537 HydrophobicContact CG-CE2 4.37Å; P403-F537 HydrophobicContact CG-CG 4.37Å; P403-F537 HydrophobicContact CG-CZ 4.3Å; P403-E541 HydrophobicContact CB-CB 4.12Å; P403-E541 HydrophobicContact CB-CG 4.25Å; P403-M545 WeakPolarHBondContact O-CE 3.37Å
404Y86.1Confident88.9Confident25 Ų2530.3 Ų30.310%0.09815%0.152CC..Hα-helixtrans-64.1-48.7178.8-169.2-99.6000112.1S402 Q406 T407 A408 I517 Y527S402-Y404 PolarHBondContact O-N 3.35Å; Y404-Q406 PolarHBondContact O-N 3.45Å; Y404-T407 WeakPolarHBondContact O-CB 3.15Å; Y404-T407 PolarHBondContact O-N 3.45Å; Y404-T407 VanDerWaalsContact O-N 3.14Å; Y404-A408 PolarHBondContact O-N 3.31Å; Y404-I517 HydrophobicContact CE1-CG2 4.09Å; Y404-I517 WeakPolarHBondContact OH-CA 3.37Å; Y404-I517 PolarHBondContact OH-O 3.42Å; Y404-Y527 AromaticContact CD1-CD1 3.82Å; Y404-Y527 HydrophobicContact CD1-CD1 3.82Å; Y404-Y527 HydrophobicContact CD1-CD2 4.24Å; Y404-Y527 AromaticContact CD1-CE1 3.74Å; Y404-Y527 HydrophobicContact CD1-CE1 3.74Å; Y404-Y527 HydrophobicContact CD1-CE2 4.21Å; Y404-Y527 HydrophobicContact CD1-CG 4.09Å; Y404-Y527 AromaticContact CD1-CZ 3.97Å; Y404-Y527 HydrophobicContact CE1-CD1 4.04Å; Y404-Y527 AromaticContact CE1-CD2 3.96Å; Y404-Y527 HydrophobicContact CE1-CD2 3.96Å; Y404-Y527 AromaticContact CE1-CE1 3.58Å; Y404-Y527 HydrophobicContact CE1-CE1 3.58Å; Y404-Y527 AromaticContact CE1-CE2 3.52Å; Y404-Y527 HydrophobicContact CE1-CE2 3.52Å; Y404-Y527 HydrophobicContact CE1-CG 4.23Å; Y404-Y527 AromaticContact CE1-CZ 3.33Å
405L87.1Confident89.1Confident4 Ų424 Ų242%0.02113%0.13CC..Hα-helixtrans-62.8-42177.4-179.860.2000111.7M366 C401 S402 T407 A408 V409 Y527M366-L405 HydrophobicContact CB-CD1 4.32Å; M366-L405 HydrophobicContact SD-CD2 3.98Å; C401-L405 HydrophobicContact CB-CD2 4.12Å; C401-L405 HydrophobicContact CB-CG 4.46Å; S402-L405 PolarHBondContact O-N 2.95Å; S402-L405 VanDerWaalsContact O-N 3.14Å; S402-L405 WeakPolarHBondContact OG-CB 3.16Å; S402-L405 PolarHBondContact OG-N 3.5Å; L405-T407 VanDerWaalsContact C-N 3.27Å; L405-T407 PolarHBondContact O-N 3.21Å; L405-A408 PolarHBondContact O-N 3.31Å; L405-V409 VanDerWaalsContact O-CG2 3.29Å; L405-V409 WeakPolarHBondContact O-CG2 3.37Å; L405-V409 PolarHBondContact O-N 2.97Å; L405-Y527 HydrophobicContact CD1-CD1 4.14Å; L405-Y527 HydrophobicContact CD1-CE1 4.49Å
406Q90.5Very high89.5Confident0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-60.4-38.6174.9-70.8167.6-6.200111.8D398 C401 S402 P403 Y404 V409 I410 R456 M545D398-Q406 PolarHBondContact O-NE2 3.11Å; C401-Q406 HydrophobicContact CB-CG 3.74Å; C401-Q406 PolarHBondContact O-NE2 2.9Å; S402-Q406 WeakPolarHBondContact O-CG 3.41Å; S402-Q406 PolarHBondContact O-N 3.42Å; P403-Q406 PolarHBondContact O-N 2.87Å; Y404-Q406 PolarHBondContact O-N 3.45Å; Q406-V409 PolarHBondContact O-N 2.88Å; Q406-I410 WeakPolarHBondContact O-CG1 3.18Å; Q406-I410 PolarHBondContact O-N 2.8Å; Q406-R456 VanDerWaalsContact OE1-CZ 3.31Å; Q406-M545 HydrophobicContact CB-CE 3.54Å
407T91.8Very high89.6Confident2 Ų224.1 Ų24.11%0.01213%0.13CC..Hα-helixtrans-65.1-44.6176.6-56.60000110.6P403 Y404 L405 V409 I410 G411 Q544 M545 A548P403-T407 PolarHBondContact O-N 3.47Å; P403-T407 PolarHBondContact O-OG1 2.98Å; Y404-T407 WeakPolarHBondContact O-CB 3.15Å; Y404-T407 PolarHBondContact O-N 3.45Å; Y404-T407 VanDerWaalsContact O-N 3.14Å; L405-T407 VanDerWaalsContact C-N 3.27Å; L405-T407 PolarHBondContact O-N 3.21Å; T407-V409 PolarHBondContact O-N 3.27Å; T407-I410 PolarHBondContact O-N 3.07Å; T407-G411 PolarHBondContact O-N 3.35Å; T407-G411 VanDerWaalsContact O-N 3.15Å; T407-Q544 HydrophobicContact CG2-CB 4.3Å; T407-M545 WeakPolarHBondContact OG1-CE 3.42Å; T407-A548 HydrophobicContact CG2-CB 3.77Å
408A91.2Very high89.9Confident13 Ų1319.6 Ų19.611%0.10711%0.109CC..Hα-helixtrans-61.4-41.4176.500000112.2Y404 L405 I410 G411 V412 I517 Y527Y404-A408 PolarHBondContact O-N 3.31Å; L405-A408 PolarHBondContact O-N 3.31Å; A408-I410 VanDerWaalsContact C-N 3.3Å; A408-I410 PolarHBondContact O-N 3.25Å; A408-G411 CarbonylContact O-C 3.57Å; A408-G411 WeakPolarHBondContact O-CA 3.39Å; A408-G411 PolarHBondContact O-N 3.02Å; A408-V412 WeakPolarHBondContact O-CG2 3.46Å; A408-V412 PolarHBondContact O-N 3.25Å; A408-I517 HydrophobicContact CB-CG2 4.2Å; A408-Y527 HydrophobicContact CB-CE1 4.46Å
409V94.1Very high90.2Very high3 Ų318.7 Ų18.72%0.01810%0.104CC..Hα-helixtrans-56.8-41.5175.4163.70000111.4F392 V396 L405 Q406 T407 G411 V412 I413F392-V409 HydrophobicContact CB-CG1 3.95Å; F392-V409 HydrophobicContact CD1-CB 4.15Å; F392-V409 HydrophobicContact CD1-CG1 3.78Å; F392-V409 HydrophobicContact CD1-CG2 4Å; F392-V409 HydrophobicContact CE1-CG2 4.27Å; F392-V409 HydrophobicContact CG-CG1 4.31Å; F392-V409 WeakPolarHBondContact O-CG1 3.39Å; V396-V409 HydrophobicContact CG2-CG1 3.58Å; L405-V409 VanDerWaalsContact O-CG2 3.29Å; L405-V409 WeakPolarHBondContact O-CG2 3.37Å; L405-V409 PolarHBondContact O-N 2.97Å; Q406-V409 PolarHBondContact O-N 2.88Å; T407-V409 PolarHBondContact O-N 3.27Å; V409-G411 VanDerWaalsContact C-N 3.35Å; V409-V412 PolarHBondContact O-N 3.47Å; V409-I413 HydrophobicContact CG1-CD1 4.38Å; V409-I413 WeakPolarHBondContact O-CG1 3.2Å; V409-I413 PolarHBondContact O-N 3.47Å
410I94.9Very high90.6Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-65.1-40.7175.1-62.7176.9000110.9V396 Q406 T407 A408 V412 I413 N414 V453 M545 A548 I549 C552V396-I410 HydrophobicContact CG1-CD1 3.95Å; V396-I410 HydrophobicContact CG1-CG1 4.01Å; V396-I410 HydrophobicContact CG2-CG1 3.72Å; Q406-I410 WeakPolarHBondContact O-CG1 3.18Å; Q406-I410 PolarHBondContact O-N 2.8Å; T407-I410 PolarHBondContact O-N 3.07Å; A408-I410 VanDerWaalsContact C-N 3.3Å; A408-I410 PolarHBondContact O-N 3.25Å; I410-V412 VanDerWaalsContact C-N 3.3Å; I410-V412 PolarHBondContact O-N 3.23Å; I410-I413 PolarHBondContact O-N 3.47Å; I410-N414 WeakPolarHBondContact O-CB 3.33Å; I410-N414 PolarHBondContact O-N 2.89Å; I410-V453 HydrophobicContact CG2-CG1 4.29Å; I410-M545 HydrophobicContact CD1-SD 3.46Å; I410-M545 WeakPolarHBondContact CD1-SD 3.49Å; I410-A548 HydrophobicContact CB-CB 4.31Å; I410-A548 HydrophobicContact CG2-CB 4.08Å; I410-A548 WeakPolarHBondContact CG2-O 3.37Å; I410-I549 HydrophobicContact CD1-CD1 4.32Å; I410-I549 HydrophobicContact CD1-CG1 3.58Å; I410-C552 HydrophobicContact CG2-CB 3.87Å
411G95.4Very high91Very high11 Ų118.2 Ų8.211%0.1135%0.05CC..Hα-helixtrans-58.2-40.2173.200000112.9T407 A408 V409 N414 S415T407-G411 PolarHBondContact O-N 3.35Å; T407-G411 VanDerWaalsContact O-N 3.15Å; A408-G411 CarbonylContact O-C 3.57Å; A408-G411 WeakPolarHBondContact O-CA 3.39Å; A408-G411 PolarHBondContact O-N 3.02Å; V409-G411 VanDerWaalsContact C-N 3.35Å; G411-N414 PolarHBondContact O-N 3.39Å; G411-S415 VanDerWaalsContact O-CB 3.3Å; G411-S415 WeakPolarHBondContact O-CB 3.46Å; G411-S415 PolarHBondContact O-N 3.41Å
412V96.6Very high91.1Very high10 Ų1010.6 Ų10.66%0.0616%0.06CC..Hα-helixtrans-65.1-47174.8174.90000111L373 F392 A408 V409 I410 N414 S415 V416L373-V412 HydrophobicContact CB-CG1 3.81Å; L373-V412 HydrophobicContact CD1-CG1 3.83Å; F392-V412 HydrophobicContact CD1-CB 3.97Å; F392-V412 HydrophobicContact CD1-CG1 3.83Å; F392-V412 HydrophobicContact CE1-CB 4.07Å; F392-V412 HydrophobicContact CE1-CG1 3.8Å; F392-V412 HydrophobicContact CE1-CG2 4.21Å; F392-V412 HydrophobicContact CG-CG1 4.4Å; F392-V412 HydrophobicContact CZ-CG1 4.3Å; A408-V412 WeakPolarHBondContact O-CG2 3.46Å; A408-V412 PolarHBondContact O-N 3.25Å; V409-V412 PolarHBondContact O-N 3.47Å; I410-V412 VanDerWaalsContact C-N 3.3Å; I410-V412 PolarHBondContact O-N 3.23Å; V412-N414 VanDerWaalsContact C-N 3.3Å; V412-N414 PolarHBondContact O-N 3.32Å; V412-S415 WeakPolarHBondContact O-CB 3.36Å; V412-S415 PolarHBondContact O-N 2.79Å; V412-V416 HydrophobicContact CG1-CG2 4.28Å; V412-V416 WeakPolarHBondContact O-CG2 3.48Å; V412-V416 PolarHBondContact O-N 3.32Å
413I97.1Very high90.7Very high2 Ų211.4 Ų11.41%0.016%0.062CC..Hα-helixtrans-55.8-49.1176.2-67.4167.7000110V389 F392 A393 V396 V409 I410 S415 V416 L417 V449V389-I413 HydrophobicContact CG1-CG2 4.25Å; F392-I413 HydrophobicContact CB-CD1 4.04Å; F392-I413 HydrophobicContact CB-CG1 3.7Å; A393-I413 HydrophobicContact CB-CD1 4.47Å; V396-I413 HydrophobicContact CG2-CD1 3.77Å; V409-I413 HydrophobicContact CG1-CD1 4.38Å; V409-I413 WeakPolarHBondContact O-CG1 3.2Å; V409-I413 PolarHBondContact O-N 3.47Å; I410-I413 PolarHBondContact O-N 3.47Å; I413-S415 VanDerWaalsContact C-N 3.34Å; I413-S415 PolarHBondContact O-N 2.96Å; I413-V416 PolarHBondContact O-N 3.46Å; I413-L417 HydrophobicContact CG2-CD1 4.07Å; I413-L417 HydrophobicContact CG2-CG 4.38Å; I413-L417 WeakPolarHBondContact O-CG 3.35Å; I413-L417 PolarHBondContact O-N 3.32Å; I413-V449 HydrophobicContact CG2-CG1 3.65Å; I413-V449 HydrophobicContact CG2-CG2 4.1Å
414N95.5Very high90Very high22 Ų2212.7 Ų12.712%0.1187%0.074CC..Hα-helixtrans-57.8-46.5178.7-172.734.1000111.9I410 G411 V412 V416 L417 E418 C552 T555I410-N414 WeakPolarHBondContact O-CB 3.33Å; I410-N414 PolarHBondContact O-N 2.89Å; G411-N414 PolarHBondContact O-N 3.39Å; V412-N414 VanDerWaalsContact C-N 3.3Å; V412-N414 PolarHBondContact O-N 3.32Å; N414-V416 PolarHBondContact O-N 3.37Å; N414-L417 PolarHBondContact O-N 2.97Å; N414-E418 PolarHBondContact O-N 3.27Å; N414-C552 HydrophobicContact CB-CB 4.24Å; N414-T555 WeakPolarHBondContact OD1-CB 3.28Å; N414-T555 WeakPolarHBondContact OD1-CG2 3.48Å; N414-T555 PolarHBondContact OD1-OG1 3.14Å
415S95.3Very high88.8Confident6 Ų613 Ų134%0.0428%0.079CC..Hα-helixtrans-61.8-42.8177.6175.60000112.6H374 R377 G411 V412 I413 E418 G419H374-S415 PolarHBondContact ND1-OG 2.98Å; R377-S415 WeakPolarHBondContact CD-O 3.18Å; R377-S415 WeakPolarHBondContact CD-OG 3.27Å; G411-S415 VanDerWaalsContact O-CB 3.3Å; G411-S415 WeakPolarHBondContact O-CB 3.46Å; G411-S415 PolarHBondContact O-N 3.41Å; V412-S415 WeakPolarHBondContact O-CB 3.36Å; V412-S415 PolarHBondContact O-N 2.79Å; I413-S415 VanDerWaalsContact C-N 3.34Å; I413-S415 PolarHBondContact O-N 2.96Å; S415-E418 PolarHBondContact O-N 2.79Å; S415-G419 PolarHBondContact O-N 3.07Å; S415-G419 VanDerWaalsContact O-N 3.07Å
416V95.9Very high87.3Confident2 Ų218 Ų181%0.01211%0.106CC..Hα-helixtrans-65.2-44177.4173.90000110.4L373 A385 V389 V412 I413 N414 E418 G419 M420L373-V416 HydrophobicContact CB-CG2 3.84Å; L373-V416 HydrophobicContact CD1-CG2 4.48Å; L373-V416 HydrophobicContact CD2-CG2 4.39Å; L373-V416 HydrophobicContact CG-CG2 4.47Å; A385-V416 HydrophobicContact CB-CG1 3.9Å; V389-V416 HydrophobicContact CG2-CB 4.23Å; V389-V416 HydrophobicContact CG2-CG1 3.75Å; V412-V416 HydrophobicContact CG1-CG2 4.28Å; V412-V416 WeakPolarHBondContact O-CG2 3.48Å; V412-V416 PolarHBondContact O-N 3.32Å; I413-V416 PolarHBondContact O-N 3.46Å; N414-V416 PolarHBondContact O-N 3.37Å; V416-E418 VanDerWaalsContact C-N 3.34Å; V416-E418 PolarHBondContact O-N 2.93Å; V416-G419 PolarHBondContact O-N 3.25Å; V416-M420 HydrophobicContact CG1-CG 4.37Å; V416-M420 HydrophobicContact CG1-SD 3.93Å; V416-M420 WeakPolarHBondContact O-CB 3.49Å; V416-M420 WeakPolarHBondContact O-CG 3.42Å; V416-M420 PolarHBondContact O-N 3.39Å
417L93.4Very high85.3Confident0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-61.1-39.7176.2-70.7179.9000112.6V389 I413 N414 M420 A421 L446 V449 T555 V556 I559V389-L417 HydrophobicContact CG2-CD2 4.28Å; I413-L417 HydrophobicContact CG2-CD1 4.07Å; I413-L417 HydrophobicContact CG2-CG 4.38Å; I413-L417 WeakPolarHBondContact O-CG 3.35Å; I413-L417 PolarHBondContact O-N 3.32Å; N414-L417 PolarHBondContact O-N 2.97Å; L417-M420 HydrophobicContact CD2-SD 4.19Å; L417-M420 WeakPolarHBondContact O-CB 3.43Å; L417-A421 WeakPolarHBondContact O-CB 3.18Å; L417-A421 PolarHBondContact O-N 3.45Å; L417-L446 HydrophobicContact CD1-CD2 4.29Å; L417-L446 HydrophobicContact CD2-CD2 3.82Å; L417-V449 HydrophobicContact CD1-CG1 4.01Å; L417-V449 HydrophobicContact CD1-CG2 4.43Å; L417-T555 HydrophobicContact CB-CG2 4.26Å; L417-V556 HydrophobicContact CD1-CG2 3.72Å; L417-I559 HydrophobicContact CB-CD1 4.09Å
418E90.8Very high83.2Confident18 Ų1828.6 Ų28.68%0.08417%0.165CC..Hα-helixtrans-63.8-43.9175-164.9-169140.400111.6N414 S415 V416 A421 K422 S510N414-E418 PolarHBondContact O-N 3.27Å; S415-E418 PolarHBondContact O-N 2.79Å; V416-E418 VanDerWaalsContact C-N 3.34Å; V416-E418 PolarHBondContact O-N 2.93Å; E418-A421 PolarHBondContact O-N 2.79Å; E418-K422 PolarHBondContact O-N 3.01Å; E418-K422 VanDerWaalsContact O-N 3.12Å; E418-K422 IonicContact OE1-NZ 2.7Å; E418-K422 PolarHBondContact OE1-NZ 2.92Å; E418-S510 WeakPolarHBondContact OE2-CB 3.15Å; E418-S510 PolarHBondContact OE2-OG 2.88Å
419G90.2Very high80.9Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-63-46.3177.500000112.7S415 V416 A421 K422 N423S415-G419 PolarHBondContact O-N 3.07Å; S415-G419 VanDerWaalsContact O-N 3.07Å; V416-G419 PolarHBondContact O-N 3.25Å; G419-A421 VanDerWaalsContact C-N 3.33Å; G419-A421 PolarHBondContact O-N 2.86Å; G419-K422 PolarHBondContact O-N 3.26Å; G419-N423 PolarHBondContact O-N 3.41Å; G419-N423 PolarHBondContact O-OD1 3.15Å
420M87.6Confident78.4Confident9 Ų942.8 Ų42.84%0.04423%0.229CC..Hα-helixtrans-51-46.9171.3-94.9179.9118.100113.5A385 V389 V416 L417 A424 W442 L445A385-M420 HydrophobicContact CB-CE 3.6Å; A385-M420 HydrophobicContact CB-CG 3.59Å; A385-M420 HydrophobicContact CB-SD 3.54Å; A385-M420 VanDerWaalsContact CB-SD 3.54Å; V389-M420 HydrophobicContact CG2-SD 4.42Å; V416-M420 HydrophobicContact CG1-CG 4.37Å; V416-M420 HydrophobicContact CG1-SD 3.93Å; V416-M420 WeakPolarHBondContact O-CB 3.49Å; V416-M420 WeakPolarHBondContact O-CG 3.42Å; V416-M420 PolarHBondContact O-N 3.39Å; L417-M420 HydrophobicContact CD2-SD 4.19Å; L417-M420 WeakPolarHBondContact O-CB 3.43Å; M420-A424 PolarHBondContact O-N 3.36Å; M420-W442 HydrophobicContact CB-CH2 3.22Å; M420-W442 HydrophobicContact CB-CZ2 4.38Å; M420-W442 HydrophobicContact CB-CZ3 3.57Å; M420-W442 HydrophobicContact CE-CD2 4.08Å; M420-W442 HydrophobicContact CE-CE3 3.86Å; M420-W442 HydrophobicContact CE-CH2 3.06Å; M420-W442 HydrophobicContact CE-CZ2 3.16Å; M420-W442 HydrophobicContact CE-CZ3 3.36Å; M420-W442 HydrophobicContact CG-CH2 3.23Å; M420-W442 HydrophobicContact CG-CZ2 4.03Å; M420-W442 HydrophobicContact CG-CZ3 3.81Å; M420-W442 HydrophobicContact SD-CH2 3.56Å; M420-W442 VanDerWaalsContact SD-CH2 3.56Å; M420-W442 HydrophobicContact SD-CZ2 4.24Å; M420-W442 HydrophobicContact SD-CZ3 3.65Å; M420-L445 HydrophobicContact CE-CD2 3.94Å
421A85.8Confident75.4Confident2 Ų250.7 Ų50.72%0.01727%0.266CS..Hα-helixtrans-69.7-38.4-179.600000113.3L417 E418 G419 A424 T425 W558 I559L417-A421 WeakPolarHBondContact O-CB 3.18Å; L417-A421 PolarHBondContact O-N 3.45Å; E418-A421 PolarHBondContact O-N 2.79Å; G419-A421 VanDerWaalsContact C-N 3.33Å; G419-A421 PolarHBondContact O-N 2.86Å; A421-A424 PolarHBondContact O-N 2.92Å; A421-T425 PolarHBondContact O-N 3.23Å; A421-W558 HydrophobicContact CB-CH2 4.29Å; A421-W558 HydrophobicContact CB-CZ3 3.74Å; A421-I559 HydrophobicContact CB-CD1 3.88Å; A421-I559 HydrophobicContact CB-CG1 3.73Å
422K83.7Confident72.6Confident59 Ų5957.8 Ų57.826%0.25731%0.307SS..Hα-helixtrans-67.5-40.4176.6-74.8-176.7179.3156.50111.9F378 E418 G419 A424 T425 D426F378-K422 HydrophobicContact CD1-CB 4.38Å; F378-K422 HydrophobicContact CD1-CD 4.41Å; F378-K422 HydrophobicContact CE1-CB 4.35Å; F378-K422 HydrophobicContact CE1-CD 3.67Å; F378-K422 HydrophobicContact CE1-CG 4.47Å; F378-K422 HydrophobicContact CZ-CD 4.25Å; E418-K422 PolarHBondContact O-N 3.01Å; E418-K422 VanDerWaalsContact O-N 3.12Å; E418-K422 IonicContact OE1-NZ 2.7Å; E418-K422 PolarHBondContact OE1-NZ 2.92Å; G419-K422 PolarHBondContact O-N 3.26Å; K422-A424 VanDerWaalsContact C-N 3.28Å; K422-A424 PolarHBondContact O-N 3Å; K422-T425 PolarHBondContact O-N 3.25Å; K422-T425 PolarHBondContact O-OG1 3.19Å; K422-D426 PolarHBondContact O-N 3.37Å; K422-D426 VanDerWaalsContact O-N 3.12Å
423N76.7Confident69.7Low37 Ų3762.2 Ų62.220%0.19834%0.338CS..Hα-helixtrans-62.4-35.7177-723.2000112.9F378 G419 T425 Q427F378-N423 VanDerWaalsContact O-CG 3.3Å; F378-N423 PolarHBondContact O-ND2 3.26Å; F378-N423 PolarHBondContact O-OD1 3.03Å; G419-N423 PolarHBondContact O-N 3.41Å; G419-N423 PolarHBondContact O-OD1 3.15Å; N423-T425 PolarHBondContact O-N 3.16Å; N423-Q427 WeakPolarHBondContact O-CG 3.31Å; N423-Q427 PolarHBondContact O-N 2.96Å
424A70.2Confident66.9Low41 Ų4170 Ų7034%0.33938%0.379SS..Hα-helixtrans-66.3-27.5175.400000112.6M420 A421 K422M420-A424 PolarHBondContact O-N 3.36Å; A421-A424 PolarHBondContact O-N 2.92Å; K422-A424 VanDerWaalsContact C-N 3.28Å; K422-A424 PolarHBondContact O-N 3Å
425T60.8Low64.2Low33 Ų3372.5 Ų72.520%0.20240%0.403CS..Hα-helixtrans-86.2-31.2-179.5550000113.8A421 K422 N423 Q427 S428 K562A421-T425 PolarHBondContact O-N 3.23Å; K422-T425 PolarHBondContact O-N 3.25Å; K422-T425 PolarHBondContact O-OG1 3.19Å; N423-T425 PolarHBondContact O-N 3.16Å; T425-Q427 VanDerWaalsContact C-N 3.35Å; T425-S428 PolarHBondContact O-N 2.84Å; T425-S428 PolarHBondContact O-OG 3.46Å; T425-K562 HydrophobicContact CG2-CD 4.5Å
426D55.1Low61.6Low109 Ų10980.2 Ų80.258%0.58344%0.438SS*.Hα-helixtrans-70.5-35.1175.7-81.1-22000111.5K422 S428 R429K422-D426 PolarHBondContact O-N 3.37Å; K422-D426 VanDerWaalsContact O-N 3.12Å; D426-S428 PolarHBondContact O-N 3.23Å; D426-R429 PolarHBondContact O-N 3.38Å; D426-R429 VanDerWaalsContact O-N 3.16Å
427Q49.9Very low59.3Low131 Ų13184 Ų8461%0.61246%0.463SS*.THydrogen-bonded Turntrans-63.2-26.4174-70.8178.924.700112.9N423 T425 R429N423-Q427 WeakPolarHBondContact O-CG 3.31Å; N423-Q427 PolarHBondContact O-N 2.96Å; T425-Q427 VanDerWaalsContact C-N 3.35Å; Q427-R429 VanDerWaalsContact C-N 3.33Å
428S46.2Very low57.5Low92 Ų9285.7 Ų85.764%0.64347%0.47SS*.THydrogen-bonded Turntrans-80.7-9.317868.40000114.2T425 D426T425-S428 PolarHBondContact O-N 2.84Å; T425-S428 PolarHBondContact O-OG 3.46Å; D426-S428 PolarHBondContact O-N 3.23Å
429R43Very low56.5Low226 Ų22687.3 Ų87.385%0.85348%0.484SS*.THydrogen-bonded Turntrans-89.4-25.6172.6-96.6-175.5175.1-170-1113.6D426 Q427 E431D426-R429 PolarHBondContact O-N 3.38Å; D426-R429 VanDerWaalsContact O-N 3.16Å; Q427-R429 VanDerWaalsContact C-N 3.33Å; R429-E431 PolarHBondContact O-N 3.14Å
430S41.4Very low55.7Low89 Ų8989.3 Ų89.362%0.62249%0.494SS*.SBendtrans-84.299178.7-63.40000111
431E33.1Very low55.3Low165 Ų16597 Ų9777%0.77153%0.527SS*.SBendtrans59.493.9153.5-60.4-178.6173.700118.4R429 S433R429-E431 PolarHBondContact O-N 3.14Å; E431-S433 PolarHBondContact O-N 3.42Å; E431-S433 PolarHBondContact O-OG 3.36Å; E431-S433 VanDerWaalsContact O-OG 3.14Å
432V36.9Very low55Low160 Ų16099.5 Ų99.597%0.9754%0.536SS*.SBendtrans50.80.1146.3-172.60000118.7L434V432-L434 PolarHBondContact O-N 3.01Å
433S35.8Very low55Low103 Ų10396.7 Ų96.772%0.7252%0.524SS*.  trans-88.9110.9-176.6-620000109.2E431 A435E431-S433 PolarHBondContact O-N 3.42Å; E431-S433 PolarHBondContact O-OG 3.36Å; E431-S433 VanDerWaalsContact O-OG 3.14Å; S433-A435 PolarHBondContact O-N 3.06Å
434L38.7Very low55.5Low165 Ų16599.7 Ų99.786%0.86454%0.537SS*.  trans0.699.6154.3-71.8158000111.5V432 Q436V432-L434 PolarHBondContact O-N 3.01Å; L434-Q436 PolarHBondContact O-N 2.82Å
435A38.8Very low56.5Low75 Ų7598.4 Ų98.462%0.6252%0.524SS*.  trans-40.4105.1178.300000108.3S433 P437S433-A435 PolarHBondContact O-N 3.06Å; A435-P437 VanDerWaalsContact O-CD 3.3Å; A435-P437 WeakPolarHBondContact O-CD 3.49Å
436Q39.2Very low57.9Low169 Ų16996.9 Ų96.979%0.7951%0.514SS*.  trans-57.2117.4-175.7-94.2-171.1-3.900105.6L434 F438L434-Q436 PolarHBondContact O-N 2.82Å; Q436-F438 PolarHBondContact O-N 3.42Å
437P47.7Very low59.5Low81 Ų8192.2 Ų92.253%0.52649%0.49SS..  trans-57.3136.2-169.219-30.6000108.4A435 S439 F567A435-P437 VanDerWaalsContact O-CD 3.3Å; A435-P437 WeakPolarHBondContact O-CD 3.49Å; P437-S439 PolarHBondContact O-N 3.31Å; P437-F567 HydrophobicContact CB-CD2 4.02Å; P437-F567 HydrophobicContact CB-CE2 3.69Å; P437-F567 HydrophobicContact CB-CZ 3.97Å
438F56.6Low61.6Low35 Ų3589.6 Ų89.615%0.15448%0.476CS..  trans-54.3110.1174.9-167.9-77.7000108.1Q436 L440 W442 H443 L446 I559 H563 T565Q436-F438 PolarHBondContact O-N 3.42Å; F438-L440 PolarHBondContact O-N 3.22Å; F438-W442 HydrophobicContact CD1-CB 4Å; F438-W442 HydrophobicContact CE1-CB 3.54Å; F438-W442 HydrophobicContact CZ-CB 3.96Å; F438-H443 AromaticContact CD1-CE1 2.96Å; F438-H443 WeakPolarHBondContact CD1-CE1 3.44Å; F438-H443 AromaticContact CD1-CG 3.92Å; F438-H443 AromaticContact CD1-ND1 3.06Å; F438-H443 WeakPolarHBondContact CD1-ND1 3.46Å; F438-H443 AromaticContact CD1-NE2 3.79Å; F438-H443 HydrophobicContact CE1-CB 4.46Å; F438-H443 AromaticContact CE1-CD2 3.99Å; F438-H443 AromaticContact CE1-CE1 3.37Å; F438-H443 WeakPolarHBondContact CE1-CE1 3.26Å; F438-H443 AromaticContact CE1-CG 3.71Å; F438-H443 AromaticContact CE1-ND1 3.34Å; F438-H443 VanDerWaalsContact CE1-ND1 3.34Å; F438-H443 WeakPolarHBondContact CE1-ND1 3.42Å; F438-H443 AromaticContact CE1-NE2 3.78Å; F438-H443 AromaticContact CG-CE1 3.77Å; F438-L446 HydrophobicContact CE1-CD1 4.28Å; F438-L446 HydrophobicContact CZ-CD1 3.75Å; F438-I559 HydrophobicContact CE2-CG2 4.03Å; F438-I559 HydrophobicContact CZ-CG2 4.05Å; F438-H563 HydrophobicContact CB-CB 4.49Å; F438-H563 HydrophobicContact CD2-CB 3.32Å; F438-H563 AromaticContact CD2-CG 3.45Å; F438-H563 VanDerWaalsContact CD2-CG 3.45Å; F438-H563 AromaticContact CD2-ND1 3.85Å; F438-H563 HydrophobicContact CE2-CB 3.61Å; F438-H563 AromaticContact CE2-CD2 3.74Å; F438-H563 AromaticContact CE2-CG 3.61Å; F438-H563 HydrophobicContact CG-CB 4.06Å; F438-T565 HydrophobicContact CB-CG2 3.86Å
439S69.5Low63.9Low53 Ų5385.2 Ų85.237%0.37145%0.446SS..  trans-60137.6-169-176.20000110P437 K441 W442 H443P437-S439 PolarHBondContact O-N 3.31Å; S439-K441 PolarHBondContact O-N 2.77Å; S439-K441 VanDerWaalsContact O-N 3.1Å; S439-K441 PolarHBondContact OG-N 3.29Å; S439-W442 WeakPolarHBondContact O-CA 3.45Å; S439-W442 WeakPolarHBondContact O-CB 3.37Å; S439-W442 PolarHBondContact O-N 3Å; S439-H443 PolarHBondContact O-N 2.77Å
440L73.2Confident66.2Low41 Ų4174.9 Ų74.922%0.21541%0.407CS..Hα-helixtrans-51.4-35.2169.8-74.2177.8000111.1F438 W442 H443 H444 L574 L577F438-L440 PolarHBondContact O-N 3.22Å; L440-W442 PolarHBondContact O-N 2.97Å; L440-H443 PolarHBondContact O-N 3.12Å; L440-H443 VanDerWaalsContact O-N 3.12Å; L440-H444 PolarHBondContact O-N 3.39Å; L440-H444 PolarHBondContact O-ND1 3.23Å; L440-L574 HydrophobicContact CD2-CD2 3.86Å; L440-L574 HydrophobicContact CD2-CG 4.19Å; L440-L577 HydrophobicContact CD2-CD1 3.92Å
441K79.8Confident68.7Low172 Ų17274.3 Ų74.375%0.74840%0.395SS*.Hα-helixtrans-56.9-35.4176.9-65-176.3178.9-179.50112.6S439 L445S439-K441 PolarHBondContact O-N 2.77Å; S439-K441 VanDerWaalsContact O-N 3.1Å; S439-K441 PolarHBondContact OG-N 3.29Å; K441-L445 PolarHBondContact O-N 3.46Å
442W79.6Confident71.6Confident53 Ų5366.9 Ų66.920%0.20136%0.36CS..Hα-helixtrans-73.8-41176.5-89.286000112.9P382 M420 F438 S439 L440 H444 L445 L446P382-W442 HydrophobicContact CB-CZ2 3.86Å; M420-W442 HydrophobicContact CB-CH2 3.22Å; M420-W442 HydrophobicContact CB-CZ2 4.38Å; M420-W442 HydrophobicContact CB-CZ3 3.57Å; M420-W442 HydrophobicContact CE-CD2 4.08Å; M420-W442 HydrophobicContact CE-CE3 3.86Å; M420-W442 HydrophobicContact CE-CH2 3.06Å; M420-W442 HydrophobicContact CE-CZ2 3.16Å; M420-W442 HydrophobicContact CE-CZ3 3.36Å; M420-W442 HydrophobicContact CG-CH2 3.23Å; M420-W442 HydrophobicContact CG-CZ2 4.03Å; M420-W442 HydrophobicContact CG-CZ3 3.81Å; M420-W442 HydrophobicContact SD-CH2 3.56Å; M420-W442 VanDerWaalsContact SD-CH2 3.56Å; M420-W442 HydrophobicContact SD-CZ2 4.24Å; M420-W442 HydrophobicContact SD-CZ3 3.65Å; F438-W442 HydrophobicContact CD1-CB 4Å; F438-W442 HydrophobicContact CE1-CB 3.54Å; F438-W442 HydrophobicContact CZ-CB 3.96Å; S439-W442 WeakPolarHBondContact O-CA 3.45Å; S439-W442 WeakPolarHBondContact O-CB 3.37Å; S439-W442 PolarHBondContact O-N 3Å; L440-W442 PolarHBondContact O-N 2.97Å; W442-H444 VanDerWaalsContact C-N 3.3Å; W442-H444 PolarHBondContact O-N 2.95Å; W442-L445 WeakPolarHBondContact O-CB 3.4Å; W442-L445 PolarHBondContact O-N 3.44Å; W442-L445 VanDerWaalsContact O-N 3.17Å; W442-L446 WeakPolarHBondContact O-CG 3.33Å; W442-L446 PolarHBondContact O-N 3.18Å
443H83.4Confident74.3Confident1 Ų159.3 Ų59.31%0.00531%0.314CS..Hα-helixtrans-57.1-47.5172.2-79.797000110.5F438 S439 L440 L445 L446 L447 T565 L577F438-H443 AromaticContact CD1-CE1 2.96Å; F438-H443 WeakPolarHBondContact CD1-CE1 3.44Å; F438-H443 AromaticContact CD1-CG 3.92Å; F438-H443 AromaticContact CD1-ND1 3.06Å; F438-H443 WeakPolarHBondContact CD1-ND1 3.46Å; F438-H443 AromaticContact CD1-NE2 3.79Å; F438-H443 HydrophobicContact CE1-CB 4.46Å; F438-H443 AromaticContact CE1-CD2 3.99Å; F438-H443 AromaticContact CE1-CE1 3.37Å; F438-H443 WeakPolarHBondContact CE1-CE1 3.26Å; F438-H443 AromaticContact CE1-CG 3.71Å; F438-H443 AromaticContact CE1-ND1 3.34Å; F438-H443 VanDerWaalsContact CE1-ND1 3.34Å; F438-H443 WeakPolarHBondContact CE1-ND1 3.42Å; F438-H443 AromaticContact CE1-NE2 3.78Å; F438-H443 AromaticContact CG-CE1 3.77Å; S439-H443 PolarHBondContact O-N 2.77Å; L440-H443 PolarHBondContact O-N 3.12Å; L440-H443 VanDerWaalsContact O-N 3.12Å; H443-L445 VanDerWaalsContact C-N 3.32Å; H443-L445 PolarHBondContact O-N 2.94Å; H443-L446 PolarHBondContact O-N 3.42Å; H443-L447 WeakPolarHBondContact O-CG 3.34Å; H443-L447 PolarHBondContact O-N 3.32Å; H443-T565 VanDerWaalsContact CE1-CG2 3.45Å; H443-T565 WeakPolarHBondContact CE1-CG2 3.32Å; H443-L577 HydrophobicContact CB-CD1 4.31Å
444H87Confident76.9Confident100 Ų10054.6 Ų54.646%0.46328%0.281SS..Hα-helixtrans-59.8-41.4176.4-69.292.5000112.2L440 W442 L446 L447 F448L440-H444 PolarHBondContact O-N 3.39Å; L440-H444 PolarHBondContact O-ND1 3.23Å; W442-H444 VanDerWaalsContact C-N 3.3Å; W442-H444 PolarHBondContact O-N 2.95Å; H444-L446 PolarHBondContact O-N 3.08Å; H444-L447 PolarHBondContact O-N 3.31Å; H444-F448 VanDerWaalsContact O-CB 3.25Å; H444-F448 WeakPolarHBondContact O-CB 3.35Å; H444-F448 PolarHBondContact O-N 2.98Å
445L90.2Very high79.4Confident14 Ų1448.6 Ų48.67%0.07326%0.259CS..Hα-helixtrans-61.5-43.3176.4-17765.8000111.9V389 Q390 M420 K441 W442 H443 F448 V449V389-L445 HydrophobicContact CB-CD1 4.25Å; V389-L445 HydrophobicContact CB-CD2 4.46Å; V389-L445 HydrophobicContact CG1-CD1 3.78Å; V389-L445 HydrophobicContact CG1-CD2 4.45Å; V389-L445 HydrophobicContact CG1-CG 4.18Å; Q390-L445 HydrophobicContact CG-CD1 3.95Å; M420-L445 HydrophobicContact CE-CD2 3.94Å; K441-L445 PolarHBondContact O-N 3.46Å; W442-L445 WeakPolarHBondContact O-CB 3.4Å; W442-L445 PolarHBondContact O-N 3.44Å; W442-L445 VanDerWaalsContact O-N 3.17Å; H443-L445 VanDerWaalsContact C-N 3.32Å; H443-L445 PolarHBondContact O-N 2.94Å; L445-F448 HydrophobicContact CD1-CD1 4.33Å; L445-F448 PolarHBondContact O-N 3.48Å; L445-V449 WeakPolarHBondContact O-CG2 3.22Å; L445-V449 PolarHBondContact O-N 3.42Å
446L90.8Very high82Confident0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-63.2-44.9177.8-73.2179000112.2L417 F438 W442 H443 H444 V449 M450 V556 I559 L560L417-L446 HydrophobicContact CD1-CD2 4.29Å; L417-L446 HydrophobicContact CD2-CD2 3.82Å; F438-L446 HydrophobicContact CE1-CD1 4.28Å; F438-L446 HydrophobicContact CZ-CD1 3.75Å; W442-L446 WeakPolarHBondContact O-CG 3.33Å; W442-L446 PolarHBondContact O-N 3.18Å; H443-L446 PolarHBondContact O-N 3.42Å; H444-L446 PolarHBondContact O-N 3.08Å; L446-V449 PolarHBondContact O-N 3.02Å; L446-M450 PolarHBondContact O-N 3.22Å; L446-V556 HydrophobicContact CB-CG1 3.93Å; L446-V556 HydrophobicContact CD2-CG1 4.19Å; L446-V556 HydrophobicContact CD2-CG2 4.18Å; L446-I559 HydrophobicContact CD1-CB 4.23Å; L446-I559 HydrophobicContact CD1-CG2 3.7Å; L446-I559 HydrophobicContact CD2-CD1 4.14Å; L446-L560 HydrophobicContact CB-CD2 4.44Å; L446-L560 HydrophobicContact CD1-CD2 3.71Å; L446-L560 HydrophobicContact CD1-CG 4.03Å
447L89.4Confident84.4Confident12 Ų1238.2 Ų38.26%0.06320%0.197CC..Hα-helixtrans-65.6-40.9176.4-61.3-174000111.6H443 H444 V449 M450 E451 L560 L577 K580 E581 L584H443-L447 WeakPolarHBondContact O-CG 3.34Å; H443-L447 PolarHBondContact O-N 3.32Å; H444-L447 PolarHBondContact O-N 3.31Å; L447-V449 PolarHBondContact O-N 2.95Å; L447-M450 WeakPolarHBondContact O-CB 3.35Å; L447-M450 PolarHBondContact O-N 3.29Å; L447-E451 WeakPolarHBondContact O-CG 3.12Å; L447-E451 PolarHBondContact O-N 2.93Å; L447-L560 HydrophobicContact CD2-CD1 4.43Å; L447-L577 HydrophobicContact CD1-CB 4.25Å; L447-L577 HydrophobicContact CD1-CD2 3.47Å; L447-L577 VanDerWaalsContact CD1-CD2 3.47Å; L447-L577 HydrophobicContact CD1-CG 4.46Å; L447-K580 HydrophobicContact CD1-CB 4.38Å; L447-K580 HydrophobicContact CD1-CG 4.25Å; L447-E581 HydrophobicContact CD2-CG 3.6Å; L447-L584 HydrophobicContact CB-CD1 4.47Å; L447-L584 HydrophobicContact CD2-CD1 4.12Å
448F93.9Very high86.4Confident75 Ų7539.9 Ų39.933%0.32920%0.196SC..Hα-helixtrans-58.9-46.1174.4166.9-103.4000111.9Q390 A393 H444 L445 M450 E451 V452Q390-F448 HydrophobicContact CG-CE1 4.4Å; A393-F448 HydrophobicContact CB-CE1 3.48Å; A393-F448 VanDerWaalsContact CB-CE1 3.48Å; A393-F448 HydrophobicContact CB-CZ 3.76Å; H444-F448 VanDerWaalsContact O-CB 3.25Å; H444-F448 WeakPolarHBondContact O-CB 3.35Å; H444-F448 PolarHBondContact O-N 2.98Å; L445-F448 HydrophobicContact CD1-CD1 4.33Å; L445-F448 PolarHBondContact O-N 3.48Å; F448-M450 VanDerWaalsContact C-N 3.31Å; F448-M450 PolarHBondContact O-N 3.45Å; F448-E451 PolarHBondContact O-N 2.85Å; F448-V452 HydrophobicContact CD2-CG2 4.17Å; F448-V452 HydrophobicContact CE1-CG2 4.26Å; F448-V452 HydrophobicContact CE2-CG2 3.71Å; F448-V452 HydrophobicContact CZ-CG2 3.77Å; F448-V452 VanDerWaalsContact O-CG2 3.3Å; F448-V452 WeakPolarHBondContact O-CG2 3.22Å; F448-V452 PolarHBondContact O-N 3.3Å
449V94.7Very high88Confident1 Ų140 Ų401%0.00620%0.197CC..Hα-helixtrans-59.1-46.3175.1170.40000110.6V389 I413 L417 L445 L446 L447 E451 V452 V453 V556V389-V449 HydrophobicContact CG1-CG2 3.2Å; I413-V449 HydrophobicContact CG2-CG1 3.65Å; I413-V449 HydrophobicContact CG2-CG2 4.1Å; L417-V449 HydrophobicContact CD1-CG1 4.01Å; L417-V449 HydrophobicContact CD1-CG2 4.43Å; L445-V449 WeakPolarHBondContact O-CG2 3.22Å; L445-V449 PolarHBondContact O-N 3.42Å; L446-V449 PolarHBondContact O-N 3.02Å; L447-V449 PolarHBondContact O-N 2.95Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 3.06Å; V449-V452 PolarHBondContact O-N 3.45Å; V449-V453 HydrophobicContact CG1-CG1 4.37Å; V449-V453 WeakPolarHBondContact O-CG2 3.29Å; V449-V453 PolarHBondContact O-N 3.38Å; V449-V556 HydrophobicContact CG1-CG2 4.28Å
450M89.9Confident89Confident8 Ų837.4 Ų37.44%0.03918%0.179CC..Hα-helixtrans-58.3-44.5179-166.668.888.800111.8L446 L447 F448 V453 L454 C553 V556 I557 L584 I588L446-M450 PolarHBondContact O-N 3.22Å; L447-M450 WeakPolarHBondContact O-CB 3.35Å; L447-M450 PolarHBondContact O-N 3.29Å; F448-M450 VanDerWaalsContact C-N 3.31Å; F448-M450 PolarHBondContact O-N 3.45Å; M450-V453 WeakPolarHBondContact O-CG2 3.11Å; M450-V453 HydrophobicContact SD-CG2 4.49Å; M450-L454 WeakPolarHBondContact O-CB 3.45Å; M450-L454 PolarHBondContact O-N 2.76Å; M450-C553 HydrophobicContact CE-CB 4.17Å; M450-C553 HydrophobicContact SD-CB 3.72Å; M450-C553 PolarHBondContact SD-SG 3.29Å; M450-V556 HydrophobicContact CE-CB 3.64Å; M450-V556 HydrophobicContact CE-CG1 3.53Å; M450-V556 HydrophobicContact CE-CG2 4.49Å; M450-I557 HydrophobicContact CE-CD1 4.3Å; M450-I557 HydrophobicContact CE-CG1 3.84Å; M450-L584 HydrophobicContact CB-CD1 4.21Å; M450-L584 HydrophobicContact CG-CB 4.29Å; M450-L584 HydrophobicContact CG-CD1 4.17Å; M450-I588 HydrophobicContact CE-CD1 3.92Å; M450-I588 HydrophobicContact CG-CD1 3.96Å; M450-I588 HydrophobicContact SD-CD1 3.44Å; M450-I588 WeakPolarHBondContact SD-CD1 3.46Å; M450-I588 HydrophobicContact SD-CG1 4.46Å
451E93.9Very high89.6Confident78 Ų7836.1 Ų36.136%0.36417%0.173SC..Hα-helixtrans-62-43.2176.7-75.8-177.5148.300112.4L447 F448 V449 G455 K580 L584L447-E451 WeakPolarHBondContact O-CG 3.12Å; L447-E451 PolarHBondContact O-N 2.93Å; F448-E451 PolarHBondContact O-N 2.85Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 3.06Å; E451-G455 PolarHBondContact O-N 2.95Å; E451-K580 WeakPolarHBondContact OE1-CE 3.45Å; E451-K580 IonicContact OE1-NZ 3.13Å; E451-K580 PolarHBondContact OE1-NZ 3.37Å; E451-L584 HydrophobicContact CG-CD1 4.17Å; E451-L584 HydrophobicContact CG-CD2 3.76Å
452V94.5Very high90Very high8 Ų831.1 Ų31.15%0.04816%0.16CC..Hα-helixtrans-64.1-49.7-179.7168.70000111.1A393 V396 Q397 F448 V449 L454 G455 R456A393-V452 HydrophobicContact CB-CG1 4.1Å; A393-V452 HydrophobicContact CB-CG2 4.23Å; A393-V452 WeakPolarHBondContact O-CG1 3.27Å; V396-V452 HydrophobicContact CB-CG1 3.96Å; V396-V452 HydrophobicContact CG1-CG1 4.13Å; V396-V452 HydrophobicContact CG2-CG1 4.38Å; Q397-V452 HydrophobicContact CG-CG1 4.4Å; F448-V452 HydrophobicContact CD2-CG2 4.17Å; F448-V452 HydrophobicContact CE1-CG2 4.26Å; F448-V452 HydrophobicContact CE2-CG2 3.71Å; F448-V452 HydrophobicContact CZ-CG2 3.77Å; F448-V452 VanDerWaalsContact O-CG2 3.3Å; F448-V452 WeakPolarHBondContact O-CG2 3.22Å; F448-V452 PolarHBondContact O-N 3.3Å; V449-V452 PolarHBondContact O-N 3.45Å; V452-L454 VanDerWaalsContact C-N 3.35Å; V452-G455 PolarHBondContact O-N 3.47Å; V452-R456 PolarHBondContact O-N 3.35Å; V452-R456 VanDerWaalsContact O-N 3.16Å
453V93.8Very high90.3Very high1 Ų133 Ų331%0.00617%0.171CC..Hα-helixtrans-69-35.5-179-59.40000111.7I410 V449 M450 R456 L457 I549I410-V453 HydrophobicContact CG2-CG1 4.29Å; V449-V453 HydrophobicContact CG1-CG1 4.37Å; V449-V453 WeakPolarHBondContact O-CG2 3.29Å; V449-V453 PolarHBondContact O-N 3.38Å; M450-V453 WeakPolarHBondContact O-CG2 3.11Å; M450-V453 HydrophobicContact SD-CG2 4.49Å; V453-R456 WeakPolarHBondContact O-CB 3.3Å; V453-R456 PolarHBondContact O-N 3.42Å; V453-L457 PolarHBondContact O-N 3.43Å; V453-I549 HydrophobicContact CB-CG1 4.34Å; V453-I549 HydrophobicContact CB-CG2 3.97Å; V453-I549 HydrophobicContact CG2-CG2 4.12Å
454L90.5Very high90.5Very high4 Ų433.6 Ų33.62%0.02117%0.174CC..Hα-helixtrans-71.3-36.9177.3-175.255.3000112.4M450 V452 R456 L457 K458 L584 L587 I588 N591M450-L454 WeakPolarHBondContact O-CB 3.45Å; M450-L454 PolarHBondContact O-N 2.76Å; V452-L454 VanDerWaalsContact C-N 3.35Å; L454-R456 PolarHBondContact O-N 3.28Å; L454-L457 HydrophobicContact CD1-CB 4.48Å; L454-L457 HydrophobicContact CD1-CD2 4.11Å; L454-L457 PolarHBondContact O-N 2.87Å; L454-K458 WeakPolarHBondContact O-CB 3.39Å; L454-K458 PolarHBondContact O-N 2.87Å; L454-L584 HydrophobicContact CD2-CD2 3.92Å; L454-L587 HydrophobicContact CD1-CG 4.21Å; L454-L587 HydrophobicContact CD2-CB 3.83Å; L454-L587 HydrophobicContact CD2-CD2 3.46Å; L454-L587 VanDerWaalsContact CD2-CD2 3.46Å; L454-L587 HydrophobicContact CD2-CG 3.62Å; L454-L587 HydrophobicContact CG-CD2 3.91Å; L454-L587 HydrophobicContact CG-CG 4.02Å; L454-I588 HydrophobicContact CD1-CB 4.48Å; L454-I588 HydrophobicContact CD1-CG1 3.85Å; L454-I588 HydrophobicContact CD2-CG1 3.87Å; L454-I588 HydrophobicContact CG-CG1 4.4Å; L454-N591 HydrophobicContact CD1-CB 4.41Å
455G91.9Very high90.4Very high39 Ų3929 Ų2940%0.40215%0.153SC..Hα-helixtrans-56.7-41.3169.400000111.2E451 V452 K458 M459E451-G455 PolarHBondContact O-N 2.95Å; V452-G455 PolarHBondContact O-N 3.47Å; G455-K458 PolarHBondContact O-N 3.19Å; G455-M459 PolarHBondContact O-N 3.4Å; G455-M459 VanDerWaalsContact O-N 3.16Å
456R91.9Very high90.2Very high27 Ų2730.8 Ų30.810%0.10217%0.165CC..Hα-helixtrans-67.3-44175.3-165.967.4-177.4172.65.3112.6V396 Q406 V452 V453 L454 K458 M459 I460 M545 I549V396-R456 HydrophobicContact CG1-CB 4Å; V396-R456 HydrophobicContact CG1-CG 4.08Å; Q406-R456 VanDerWaalsContact OE1-CZ 3.31Å; V452-R456 PolarHBondContact O-N 3.35Å; V452-R456 VanDerWaalsContact O-N 3.16Å; V453-R456 WeakPolarHBondContact O-CB 3.3Å; V453-R456 PolarHBondContact O-N 3.42Å; L454-R456 PolarHBondContact O-N 3.28Å; R456-K458 VanDerWaalsContact C-N 3.31Å; R456-K458 PolarHBondContact O-N 3.31Å; R456-M459 VanDerWaalsContact NH1-CE 3.27Å; R456-M459 PolarHBondContact O-N 2.87Å; R456-I460 HydrophobicContact CG-CD1 4.23Å; R456-I460 WeakPolarHBondContact O-CG1 3.45Å; R456-I460 PolarHBondContact O-N 3.45Å; R456-M545 HydrophobicContact CG-SD 4.46Å; R456-I549 HydrophobicContact CB-CD1 4.19Å; R456-I549 HydrophobicContact CG-CD1 4.27Å
457L90.7Very high89.8Confident0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-57.6-45.9175.9-178.261.4000111.3V453 L454 M459 I460 V461 I546 I549 N591V453-L457 PolarHBondContact O-N 3.43Å; L454-L457 HydrophobicContact CD1-CB 4.48Å; L454-L457 HydrophobicContact CD1-CD2 4.11Å; L454-L457 PolarHBondContact O-N 2.87Å; L457-M459 VanDerWaalsContact C-N 3.32Å; L457-M459 PolarHBondContact O-N 2.94Å; L457-I460 PolarHBondContact O-N 2.88Å; L457-V461 HydrophobicContact CD1-CG2 4.09Å; L457-V461 HydrophobicContact CG-CG2 4.35Å; L457-V461 WeakPolarHBondContact O-CB 3.4Å; L457-V461 WeakPolarHBondContact O-CG2 3.37Å; L457-V461 PolarHBondContact O-N 3.4Å; L457-I546 HydrophobicContact CD1-CG1 4.01Å; L457-I546 HydrophobicContact CD1-CG2 4.37Å; L457-I549 HydrophobicContact CB-CD1 3.99Å; L457-I549 HydrophobicContact CB-CG2 4.11Å; L457-I549 HydrophobicContact CD1-CD1 4.47Å; L457-I549 HydrophobicContact CD2-CG2 4.43Å; L457-N591 HydrophobicContact CD2-CB 3.73Å; L457-N591 HydrophobicContact CG-CB 4.02Å
458K90.2Very high89.5Confident116 Ų11637.5 Ų37.550%0.50419%0.19SC..Hα-helixtrans-59.3-43.3178.6-174.9-179177.8-175.60111.6L454 G455 R456 V461 S462L454-K458 WeakPolarHBondContact O-CB 3.39Å; L454-K458 PolarHBondContact O-N 2.87Å; G455-K458 PolarHBondContact O-N 3.19Å; R456-K458 VanDerWaalsContact C-N 3.31Å; R456-K458 PolarHBondContact O-N 3.31Å; K458-V461 PolarHBondContact O-N 3.49Å; K458-S462 WeakPolarHBondContact O-CB 2.96Å; K458-S462 PolarHBondContact O-N 3.43Å; K458-S462 PolarHBondContact O-OG 2.99Å
459M90.2Very high88.8Confident36 Ų3636.1 Ų36.118%0.17718%0.184CC..Hα-helixtrans-61.2-46.3176.8-171.8-74.5-71.500111.2G455 R456 L457 V461 S462 E463 Q464 F537G455-M459 PolarHBondContact O-N 3.4Å; G455-M459 VanDerWaalsContact O-N 3.16Å; R456-M459 VanDerWaalsContact NH1-CE 3.27Å; R456-M459 PolarHBondContact O-N 2.87Å; L457-M459 VanDerWaalsContact C-N 3.32Å; L457-M459 PolarHBondContact O-N 2.94Å; M459-V461 PolarHBondContact O-N 2.93Å; M459-S462 PolarHBondContact O-N 3.18Å; M459-E463 WeakPolarHBondContact O-CB 3.44Å; M459-E463 PolarHBondContact O-N 3.15Å; M459-E463 HydrophobicContact SD-CB 4.41Å; M459-Q464 HydrophobicContact CE-CG 4.08Å; M459-Q464 PolarHBondContact O-N 3.33Å; M459-Q464 HydrophobicContact SD-CG 3.53Å; M459-Q464 VanDerWaalsContact SD-CG 3.53Å; M459-F537 HydrophobicContact CE-CE2 4.26Å
460I88.7Confident88Confident0 Ų043.3 Ų43.30%022%0.216CC..Iπ-helixtrans-60.7-48.1178.8-65.9160.4000110.9R456 L457 Q464 L465 C542 M545 I546 I549R456-I460 HydrophobicContact CG-CD1 4.23Å; R456-I460 WeakPolarHBondContact O-CG1 3.45Å; R456-I460 PolarHBondContact O-N 3.45Å; L457-I460 PolarHBondContact O-N 2.88Å; I460-Q464 WeakPolarHBondContact O-CB 3.27Å; I460-Q464 PolarHBondContact O-N 3.14Å; I460-Q464 VanDerWaalsContact O-N 3.11Å; I460-L465 HydrophobicContact CG2-CG 4.31Å; I460-L465 PolarHBondContact O-N 3.34Å; I460-C542 HydrophobicContact CG2-CB 4.33Å; I460-M545 HydrophobicContact CD1-CB 4.09Å; I460-M545 HydrophobicContact CD1-CG 3.22Å; I460-I546 HydrophobicContact CG2-CD1 4.41Å; I460-I546 HydrophobicContact CG2-CG1 4.41Å; I460-I549 HydrophobicContact CD1-CD1 4.04Å
461V86.8Confident87.1Confident14 Ų1446.3 Ų46.39%0.08524%0.237CC..Iπ-helixtrans-67.3-43.2-177.7167.20000112.1L457 K458 M459 L465 P466 N594L457-V461 HydrophobicContact CD1-CG2 4.09Å; L457-V461 HydrophobicContact CG-CG2 4.35Å; L457-V461 WeakPolarHBondContact O-CB 3.4Å; L457-V461 WeakPolarHBondContact O-CG2 3.37Å; L457-V461 PolarHBondContact O-N 3.4Å; K458-V461 PolarHBondContact O-N 3.49Å; M459-V461 PolarHBondContact O-N 2.93Å; V461-L465 HydrophobicContact CG2-CD1 4.47Å; V461-P466 WeakPolarHBondContact O-CD 3.49Å; V461-N594 HydrophobicContact CG1-CB 3.31Å
462S87.7Confident85.6Confident66 Ų6644 Ų4446%0.46223%0.232SC..Iπ-helixtrans-86.1-28.7-171-51.40000112.7K458 M459K458-S462 WeakPolarHBondContact O-CB 2.96Å; K458-S462 PolarHBondContact O-N 3.43Å; K458-S462 PolarHBondContact O-OG 2.99Å; M459-S462 PolarHBondContact O-N 3.18Å
463E87.1Confident83.7Confident94 Ų9450 Ų5044%0.43926%0.263SS..Iπ-helixtrans-117.7-48.6-174.3-59.5-174.4-166.700113.4M459 R467M459-E463 WeakPolarHBondContact O-CB 3.44Å; M459-E463 PolarHBondContact O-N 3.15Å; M459-E463 HydrophobicContact SD-CB 4.41Å; E463-R467 WeakPolarHBondContact O-CB 3.29Å; E463-R467 WeakPolarHBondContact O-CD 3.36Å; E463-R467 WeakPolarHBondContact O-CG 3.11Å; E463-R467 PolarHBondContact O-N 2.97Å
464Q86.1Confident81.7Confident13 Ų1358.1 Ų58.16%0.06130%0.298CS..Iπ-helixtrans-76.6-50.9-170.9-59.5-65-31.700112.4M459 I460 R467 I468 V535 F537M459-Q464 HydrophobicContact CE-CG 4.08Å; M459-Q464 PolarHBondContact O-N 3.33Å; M459-Q464 HydrophobicContact SD-CG 3.53Å; M459-Q464 VanDerWaalsContact SD-CG 3.53Å; I460-Q464 WeakPolarHBondContact O-CB 3.27Å; I460-Q464 PolarHBondContact O-N 3.14Å; I460-Q464 VanDerWaalsContact O-N 3.11Å; Q464-R467 WeakPolarHBondContact O-CB 2.99Å; Q464-R467 PolarHBondContact O-N 3.41Å; Q464-R467 VanDerWaalsContact O-N 3.12Å; Q464-I468 VanDerWaalsContact O-CG1 3.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.31Å; Q464-I468 PolarHBondContact O-N 3.07Å; Q464-V535 PolarHBondContact OE1-O 3.43Å; Q464-F537 HydrophobicContact CG-CD2 3.9Å; Q464-F537 HydrophobicContact CG-CE2 4.36Å
465L85.5Confident79.7Confident4 Ų462.1 Ų62.12%0.02133%0.327CS..Hα-helixtrans-57.4-48.3-180-70.8178.7000112.2I460 V461 R467 I468 F469 C542 A598I460-L465 HydrophobicContact CG2-CG 4.31Å; I460-L465 PolarHBondContact O-N 3.34Å; V461-L465 HydrophobicContact CG2-CD1 4.47Å; L465-R467 VanDerWaalsContact C-N 3.29Å; L465-R467 PolarHBondContact O-N 2.91Å; L465-I468 PolarHBondContact O-N 3.45Å; L465-F469 HydrophobicContact CB-CD2 4.45Å; L465-F469 HydrophobicContact CB-CE2 3.88Å; L465-F469 HydrophobicContact CB-CZ 4.32Å; L465-F469 HydrophobicContact CD2-CZ 4.26Å; L465-F469 WeakPolarHBondContact O-CD2 3.4Å; L465-F469 WeakPolarHBondContact O-CG 3.34Å; L465-F469 PolarHBondContact O-N 3.5Å; L465-C542 HydrophobicContact CD2-CB 4.2Å; L465-A598 HydrophobicContact CD1-CB 4.09Å; L465-A598 HydrophobicContact CD2-CB 3.73Å
466P85.6Confident76.9Confident50 Ų5067.5 Ų67.533%0.32535%0.347SS..Hα-helixtrans-62.7-33177-24.736.3000113.7V461 K470V461-P466 WeakPolarHBondContact O-CD 3.49Å; P466-K470 WeakPolarHBondContact O-CB 3.19Å; P466-K470 VanDerWaalsContact O-CG 3.25Å; P466-K470 WeakPolarHBondContact O-CG 3.44Å; P466-K470 PolarHBondContact O-N 3.19Å
467R83.5Confident74Confident134 Ų13473.3 Ų73.351%0.50638%0.38SS..Hα-helixtrans-67-45.7175.8-76.4174-173.8-169.96.7111.3E463 Q464 L465 F469 K470 S471E463-R467 WeakPolarHBondContact O-CB 3.29Å; E463-R467 WeakPolarHBondContact O-CD 3.36Å; E463-R467 WeakPolarHBondContact O-CG 3.11Å; E463-R467 PolarHBondContact O-N 2.97Å; Q464-R467 WeakPolarHBondContact O-CB 2.99Å; Q464-R467 PolarHBondContact O-N 3.41Å; Q464-R467 VanDerWaalsContact O-N 3.12Å; L465-R467 VanDerWaalsContact C-N 3.29Å; L465-R467 PolarHBondContact O-N 2.91Å; R467-F469 VanDerWaalsContact C-N 3.33Å; R467-F469 PolarHBondContact O-N 2.75Å; R467-K470 PolarHBondContact O-N 3.21Å; R467-S471 PolarHBondContact O-N 2.8Å; R467-S471 PolarHBondContact O-OG 3.31Å
468I82.3Confident70.8Confident19 Ų1976.8 Ų76.810%0.09742%0.416CS..Hα-helixtrans-60.8-43.6177.6-66.6165.6000110.7Q464 L465 S471 A472 F537 I539 C542Q464-I468 VanDerWaalsContact O-CG1 3.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.31Å; Q464-I468 PolarHBondContact O-N 3.07Å; L465-I468 PolarHBondContact O-N 3.45Å; I468-S471 WeakPolarHBondContact CA-OG 3.38Å; I468-S471 PolarHBondContact O-N 3.24Å; I468-S471 PolarHBondContact O-OG 3.04Å; I468-A472 PolarHBondContact O-N 3.22Å; I468-A472 VanDerWaalsContact O-N 3.07Å; I468-F537 HydrophobicContact CD1-CB 4.18Å; I468-F537 WeakPolarHBondContact CD1-O 3.5Å; I468-F537 WeakPolarHBondContact CG1-O 3.29Å; I468-I539 HydrophobicContact CG2-CD1 3.93Å; I468-I539 HydrophobicContact CG2-CG1 3.41Å; I468-I539 VanDerWaalsContact CG2-CG1 3.41Å; I468-C542 VanDerWaalsContact CD1-SG 3.59Å
469F79.7Confident67.8Low47 Ų4777.6 Ų77.621%0.20643%0.43CS..Hα-helixtrans-66.5-38.2177.2-60.6-34.7000112.6L465 R467 A472 N473 D597 F601L465-F469 HydrophobicContact CB-CD2 4.45Å; L465-F469 HydrophobicContact CB-CE2 3.88Å; L465-F469 HydrophobicContact CB-CZ 4.32Å; L465-F469 HydrophobicContact CD2-CZ 4.26Å; L465-F469 WeakPolarHBondContact O-CD2 3.4Å; L465-F469 WeakPolarHBondContact O-CG 3.34Å; L465-F469 PolarHBondContact O-N 3.5Å; R467-F469 VanDerWaalsContact C-N 3.33Å; R467-F469 PolarHBondContact O-N 2.75Å; F469-A472 PolarHBondContact O-N 3.14Å; F469-N473 PolarHBondContact O-N 3.31Å; F469-D597 HydrophobicContact CE2-CB 3.82Å; F469-D597 HydrophobicContact CZ-CB 3.82Å; F469-D597 WeakPolarHBondContact CZ-O 3.36Å; F469-F601 AromaticContact CD1-CD2 3.42Å; F469-F601 HydrophobicContact CD1-CD2 3.42Å; F469-F601 VanDerWaalsContact CD1-CD2 3.42Å; F469-F601 AromaticContact CD1-CE2 3.35Å; F469-F601 HydrophobicContact CD1-CE2 3.35Å; F469-F601 HydrophobicContact CD1-CG 4.42Å; F469-F601 HydrophobicContact CD1-CZ 4.32Å; F469-F601 HydrophobicContact CE1-CB 4.25Å; F469-F601 AromaticContact CE1-CD2 3.18Å; F469-F601 HydrophobicContact CE1-CD2 3.18Å; F469-F601 AromaticContact CE1-CE2 3.67Å; F469-F601 HydrophobicContact CE1-CE2 3.67Å; F469-F601 AromaticContact CE1-CG 3.89Å; F469-F601 HydrophobicContact CE1-CG 3.89Å; F469-F601 HydrophobicContact CZ-CD2 4.31Å
470K78.6Confident64.6Low152 Ų15282.3 Ų82.366%0.66146%0.461SS*.Hα-helixtrans-67.2-36174.8-75.8175.8-177.9-1770112.9P466 R467P466-K470 WeakPolarHBondContact O-CB 3.19Å; P466-K470 VanDerWaalsContact O-CG 3.25Å; P466-K470 WeakPolarHBondContact O-CG 3.44Å; P466-K470 PolarHBondContact O-N 3.19Å; R467-K470 PolarHBondContact O-N 3.21Å
471S71.1Confident61.4Low71 Ų7188.8 Ų88.850%0.49750%0.501SS..Hα-helixtrans-69.8-38176.349.90000112.3R467 I468 N473 K474 S475R467-S471 PolarHBondContact O-N 2.8Å; R467-S471 PolarHBondContact O-OG 3.31Å; I468-S471 WeakPolarHBondContact CA-OG 3.38Å; I468-S471 PolarHBondContact O-N 3.24Å; I468-S471 PolarHBondContact O-OG 3.04Å; S471-N473 VanDerWaalsContact C-N 3.34Å; S471-N473 PolarHBondContact O-N 3.16Å; S471-K474 PolarHBondContact O-N 3.2Å; S471-S475 PolarHBondContact O-N 2.67Å
472A61.9Low58.3Low30 Ų3092 Ų9225%0.24853%0.528CS..Hα-helixtrans-64.7-37.5177.600000112.4I468 F469 K474 S475 F601I468-A472 PolarHBondContact O-N 3.22Å; I468-A472 VanDerWaalsContact O-N 3.07Å; F469-A472 PolarHBondContact O-N 3.14Å; A472-K474 PolarHBondContact O-N 2.64Å; A472-S475 PolarHBondContact O-N 3.26Å; A472-S475 PolarHBondContact O-OG 3.28Å; A472-F601 HydrophobicContact CB-CE2 4.48Å; A472-F601 HydrophobicContact CB-CZ 3.79Å
473N54.9Low55.2Low133 Ų13396.9 Ų96.971%0.71155%0.549SS*.THydrogen-bonded Turntrans-70.3-17.5176.6-71.80.3000113.6F469 S471F469-N473 PolarHBondContact O-N 3.31Å; S471-N473 VanDerWaalsContact C-N 3.34Å; S471-N473 PolarHBondContact O-N 3.16Å
474K52Low52.1Low171 Ų17197.1 Ų97.174%0.74357%0.568SS**THydrogen-bonded Turntrans-86.7-22.8177-75-174.6176.3-171.30113.3S471 A472 D476S471-K474 PolarHBondContact O-N 3.2Å; A472-K474 PolarHBondContact O-N 2.64Å; K474-D476 PolarHBondContact O-N 3.19Å
475S48.4Very low49.1Very low89 Ų89104.3 Ų104.362%0.62261%0.606SS**THydrogen-bonded Turntrans-79.1-0.1-178.445.70000114.7S471 A472 D477S471-S475 PolarHBondContact O-N 2.67Å; A472-S475 PolarHBondContact O-N 3.26Å; A472-S475 PolarHBondContact O-OG 3.28Å; S475-D477 VanDerWaalsContact C-N 3.33Å
476D33.3Very low45.9Very low152 Ų152112.5 Ų112.581%0.81365%0.648SS**THydrogen-bonded Turntrans-82.9-5.4173.8-101.9-6.1000113.8K474 G478K474-D476 PolarHBondContact O-N 3.19Å; D476-G478 PolarHBondContact O-N 3.49Å
477D29.6Very low42.9Very low148 Ų148115.6 Ų115.679%0.79167%0.666SS**SBendtrans-83.4108.1165.4-84-21.5000109.2S475 T479S475-D477 VanDerWaalsContact C-N 3.33Å; D477-T479 PolarHBondContact O-N 3.09Å
478G24.5Very low39.9Very low74 Ų74117 Ų11776%0.76368%0.684SS**  trans-50.7126-161.700000116.9D476D476-G478 PolarHBondContact O-N 3.49Å
479T25.9Very low37Very low132 Ų132121.6 Ų121.681%0.8171%0.713SS**  trans-156115143.5-10.40000109.4D477 T481D477-T479 PolarHBondContact O-N 3.09Å; T479-T481 PolarHBondContact O-N 3.39Å
480V23.5Very low34.2Very low136 Ų136125.1 Ų125.182%0.82474%0.741SS**  trans-68.5112.3-178.3176.10000109.8A482V480-A482 HydrophobicContact CG1-CB 4.19Å
481T22.7Very low31.3Very low136 Ų136129.7 Ų129.783%0.83475%0.754SS**  trans-119.370.1160.950.10000109.4T479 N483T479-T481 PolarHBondContact O-N 3.39Å; T481-N483 PolarHBondContact O-N 3.25Å
482A21.8Very low28.8Very low80 Ų80136.2 Ų136.266%0.66177%0.773SS**  trans-73.3103.7165.900000108.7V480V480-A482 HydrophobicContact CG1-CB 4.19Å
483N21.2Very low26.7Very low169 Ų169144.1 Ų144.190%0.90481%0.805SS**  trans-161.780.1161.5-93.9-14.2000109.5T481T481-N483 PolarHBondContact O-N 3.25Å
484A23.1Very low25Very low100 Ų100143.5 Ų143.583%0.82681%0.811SS**  trans-134.7103.8161.200000107.8
485L21.9Very low23.4Very low163 Ų163144.8 Ų144.885%0.85382%0.82SS**  trans-70.2127-172.8-162.276.3000110.3V487L485-V487 HydrophobicContact CD2-CG2 4.26Å
486L19.6Very low22Very low176 Ų176150.5 Ų150.592%0.92183%0.833SS**  trans-75118.4169.8-70.5160000108.9
487V21.8Very low21.2Very low116 Ų116151.9 Ų151.970%0.70384%0.84SS**  trans-122.5112.9165.5178.90000108.1L485L485-V487 HydrophobicContact CD2-CG2 4.26Å
488D20.4Very low20.7Very low164 Ų164149.5 Ų149.588%0.87784%0.841SS**  trans-92.3131.8179.4-152.3-2000107.9
489T20.4Very low20.4Very low115 Ų115151.7 Ų151.771%0.70684%0.843SS**  trans-143.8136174.9-200000112.1
490P21.1Very low20.1Very low121 Ų121152.6 Ų152.679%0.78685%0.848SS**PPolyproline II helixtrans-89.1136.4-164.4-2.923.5000113.7
491R19.2Very low20.1Very low248 Ų248153.7 Ų153.794%0.93685%0.85SS**PPolyproline II helixtrans-57.8126.8175-76.5169.3167161.4-3.8113.3
492K18.7Very low20Very low207 Ų207153.7 Ų153.790%0.985%0.85SS**PPolyproline II helixtrans-102.3132.7160.7-79-176177.5178.60110.6
493Q18Very low19.9Very low196 Ų196155.6 Ų155.692%0.91686%0.858SS**PPolyproline II helixtrans-88.4127-178.1-65.4168.4-1600109.9
494S18Very low20.1Very low120 Ų120152.1 Ų152.184%0.83985%0.847SS**  trans-129.6139.3172.3-53.90000110.2
495Q18.3Very low20Very low198 Ų198152.2 Ų152.293%0.92584%0.842SS**PPolyproline II helixtrans-72.4146.5-158.4-74.6161.2-49.600115.9
496K18.8Very low20.2Very low210 Ų210152.5 Ų152.591%0.91384%0.844SS**PPolyproline II helixtrans-67.3130.8169.3-86.8174.2166.5178.30111.7
497L17.9Very low20.5Very low181 Ų181151.3 Ų151.395%0.94883%0.834SS**PPolyproline II helixtrans-101.2134.3158-122.889.8000109.6
498A19Very low20.9Very low98 Ų98149 Ų14981%0.8182%0.821SS**PPolyproline II helixtrans-89.1136.5-172.500000112.2
499C16.7Very low21.2Very low120 Ų120144.3 Ų144.381%0.81180%0.801SS**  trans-117134.7154.2-890000107.6D501C499-D501 PolarHBondContact O-N 3.1Å
500T20.1Very low22Very low150 Ų150140.3 Ų140.392%0.9278%0.778SS**  trans-69.5110.9-175.44.80000111.1
501D23Very low22.5Very low160 Ų160137.6 Ų137.686%0.85676%0.759SS**PPolyproline II helixtrans-81.6125.2171-76.4-36.6000110.6C499C499-D501 PolarHBondContact O-N 3.1Å
502T21.7Very low23.4Very low136 Ų136127.5 Ų127.583%0.83473%0.726SS**PPolyproline II helixtrans-71.6122.9162.339.50000109.9S504T502-S504 PolarHBondContact O-N 3.29Å
503S20.1Very low24.2Very low119 Ų119120 Ų12083%0.83270%0.696SS**PPolyproline II helixtrans-48.7121.8177.751.80000115.3
504S23.6Very low24.8Very low97 Ų97111.6 Ų111.668%0.67866%0.657SS**  trans-166.9122.414148.30000112.5T502T502-S504 PolarHBondContact O-N 3.29Å
505S22.2Very low25.5Very low102 Ų102112.8 Ų112.871%0.71365%0.649SS**  trans23.3126.5151.859.50000121.8
506D24.8Very low26.2Very low168 Ų168105.8 Ų105.890%0.89862%0.622SS**  trans4475.1148.5-63.5-18.4000117.1
507Q26.5Very low26.8Very low152 Ų15296.4 Ų96.471%0.7158%0.582SS**  trans-89.4134.9173.1-73.3-170.5-3.900112.7
508P30.3Very low27.5Very low67 Ų6789.2 Ų89.244%0.43555%0.545SS..  trans-72.7139.7170.123.1-22000111.9S510P508-S510 PolarHBondContact O-N 3.07Å
509S27.8Very low28Very low65 Ų6591.4 Ų91.446%0.45554%0.536SS..  trans-67.235-172.645.50000117T511 S512S509-T511 PolarHBondContact O-N 3.06Å; S509-T511 VanDerWaalsContact O-N 3.1Å; S509-S512 PolarHBondContact O-N 3.32Å; S509-S512 PolarHBondContact O-OG 3.27Å
510S36.1Very low29.2Very low31 Ų3192.5 Ų92.522%0.21753%0.529CS..THydrogen-bonded Turntrans-60.3-23178.6-40.10000113.4E418 P508 S512E418-S510 WeakPolarHBondContact OE2-CB 3.15Å; E418-S510 PolarHBondContact OE2-OG 2.88Å; P508-S510 PolarHBondContact O-N 3.07Å; S510-S512 VanDerWaalsContact C-N 3.34Å; S510-S512 PolarHBondContact O-N 3.38Å
511T31.2Very low30.2Very low65 Ų6592.5 Ų92.540%0.39952%0.523SS..Hα-helixtrans-71-25.8-176.5-30.20000113.1S509 I513 Q515S509-T511 PolarHBondContact O-N 3.06Å; S509-T511 VanDerWaalsContact O-N 3.1Å; T511-I513 PolarHBondContact O-N 3.08Å; T511-Q515 PolarHBondContact O-N 3.14Å; T511-Q515 VanDerWaalsContact O-N 3.16Å
512S37.7Very low31.1Very low35 Ų3593.5 Ų93.525%0.24552%0.523CS..Hα-helixtrans-72.4-34.3-170.3740000113.4S509 S510 S516S509-S512 PolarHBondContact O-N 3.32Å; S509-S512 PolarHBondContact O-OG 3.27Å; S510-S512 VanDerWaalsContact C-N 3.34Å; S510-S512 PolarHBondContact O-N 3.38Å; S512-S516 PolarHBondContact O-N 3.3Å; S512-S516 PolarHBondContact O-OG 2.93Å
513I35.8Very low32Very low50 Ų5089.8 Ų89.826%0.25650%0.498SS..Hα-helixtrans-67.8-42-178.8-61.5177.6000109.9T511 S516 I517T511-I513 PolarHBondContact O-N 3.08Å; I513-S516 WeakPolarHBondContact CA-OG 3.23Å; I513-S516 PolarHBondContact O-N 3.28Å; I513-S516 PolarHBondContact O-OG 3.36Å; I513-I517 HydrophobicContact CG2-CD1 3.55Å; I513-I517 HydrophobicContact CG2-CG1 4.35Å; I513-I517 WeakPolarHBondContact O-CB 3.47Å; I513-I517 WeakPolarHBondContact O-CG1 3.45Å; I513-I517 PolarHBondContact O-N 3.48Å
514L30.9Very low33.1Very low20 Ų2087.4 Ų87.411%0.10547%0.473CS..Hα-helixtrans-70.3-40178.3-69.1174.2000112.4H374 S516 I517 L518H374-L514 WeakPolarHBondContact CE1-CD1 3.27Å; H374-L514 WeakPolarHBondContact ND1-CD1 3.3Å; L514-S516 VanDerWaalsContact C-N 3.28Å; L514-S516 PolarHBondContact O-N 3.28Å; L514-I517 PolarHBondContact O-N 3.34Å; L514-L518 VanDerWaalsContact O-CB 3.27Å; L514-L518 WeakPolarHBondContact O-CB 3.48Å; L514-L518 WeakPolarHBondContact O-CD1 3.44Å; L514-L518 WeakPolarHBondContact O-CG 3.45Å; L514-L518 PolarHBondContact O-N 2.98Å
515Q32.1Very low34.4Very low144 Ų14486.3 Ų86.367%0.67347%0.471SS*.Hα-helixtrans-63.7-32.7173.4-83.4-176.8-18.700112.9T511T511-Q515 PolarHBondContact O-N 3.14Å; T511-Q515 VanDerWaalsContact O-N 3.16Å
516S33.5Very low35.7Very low52 Ų5283.7 Ų83.736%0.36445%0.452SS..Hα-helixtrans-75.9-27.6173.952.10000114S512 I513 L514S512-S516 PolarHBondContact O-N 3.3Å; S512-S516 PolarHBondContact O-OG 2.93Å; I513-S516 WeakPolarHBondContact CA-OG 3.23Å; I513-S516 PolarHBondContact O-N 3.28Å; I513-S516 PolarHBondContact O-OG 3.36Å; L514-S516 VanDerWaalsContact C-N 3.28Å; L514-S516 PolarHBondContact O-N 3.28Å
517I32.1Very low36.7Very low12 Ų1276.5 Ų76.56%0.06241%0.413CS..Hα-helixtrans-82.4-23.6176.3-69.9171.5000111.2Y404 A408 I513 L514 K519 Y527Y404-I517 HydrophobicContact CE1-CG2 4.09Å; Y404-I517 WeakPolarHBondContact OH-CA 3.37Å; Y404-I517 PolarHBondContact OH-O 3.42Å; A408-I517 HydrophobicContact CB-CG2 4.2Å; I513-I517 HydrophobicContact CG2-CD1 3.55Å; I513-I517 HydrophobicContact CG2-CG1 4.35Å; I513-I517 WeakPolarHBondContact O-CB 3.47Å; I513-I517 WeakPolarHBondContact O-CG1 3.45Å; I513-I517 PolarHBondContact O-N 3.48Å; L514-I517 PolarHBondContact O-N 3.34Å; I517-K519 VanDerWaalsContact C-N 3.28Å; I517-K519 PolarHBondContact O-N 3.48Å; I517-Y527 PolarHBondContact O-OH 3.33Å
518L31.6Very low38.1Very low31 Ų3170.8 Ų70.816%0.16239%0.386CS..THydrogen-bonded Turntrans-90.220.9180-69.4169000113.4L514 E520L514-L518 VanDerWaalsContact O-CB 3.27Å; L514-L518 WeakPolarHBondContact O-CB 3.48Å; L514-L518 WeakPolarHBondContact O-CD1 3.44Å; L514-L518 WeakPolarHBondContact O-CG 3.45Å; L514-L518 PolarHBondContact O-N 2.98Å; L518-E520 VanDerWaalsContact O-CG 3.3Å; L518-E520 WeakPolarHBondContact O-CG 3.32Å; L518-E520 PolarHBondContact O-N 3.29Å
519K31.2Very low38.9Very low143 Ų14372.9 Ų72.962%0.62239%0.393SS*.  trans-57.7117.6178.8-86.1-174.3175.3-178.40110I517I517-K519 VanDerWaalsContact C-N 3.28Å; I517-K519 PolarHBondContact O-N 3.48Å
520E40.3Very low39.8Very low144 Ų14473.8 Ų73.867%0.67341%0.405SS*.THydrogen-bonded Turntrans-75.5142.5-166-60.3-176.7136.800111K330 L518 E522K330-E520 IonicContact NZ-OE1 3.31Å; L518-E520 VanDerWaalsContact O-CG 3.3Å; L518-E520 WeakPolarHBondContact O-CG 3.32Å; L518-E520 PolarHBondContact O-N 3.29Å; E520-E522 PolarHBondContact O-N 2.49Å
521D42Very low40.3Very low150 Ų15080 Ų8080%0.80243%0.427SS*.THydrogen-bonded Turntrans74.4-33.8168.5-58.5-28000120.7
522E42.4Very low40.9Very low180 Ų18082.6 Ų82.684%0.84144%0.443SS*.THydrogen-bonded Turntrans-92.7-28.8178.2-70.2-160.9160.500114.3E520E520-E522 PolarHBondContact O-N 2.49Å
523D39.8Very low41.2Very low59 Ų5986 Ų8632%0.31646%0.463SS..THydrogen-bonded Turntrans-88.6-4.4-172-72.8-32.1000114.1A525 S526 Y527D523-A525 PolarHBondContact O-N 2.88Å; D523-S526 WeakPolarHBondContact O-CB 3.45Å; D523-S526 PolarHBondContact O-N 3.41Å; D523-S526 PolarHBondContact O-OG 2.9Å; D523-Y527 WeakPolarHBondContact O-CD2 3.43Å; D523-Y527 PolarHBondContact O-N 3.16Å
524E43.7Very low41.9Very low68 Ų6887 Ų8732%0.31848%0.479SS..Hα-helixtrans-50.8-42.3174.5-76.7-102134.100110.2R326 S526 Y527 F528R326-E524 IonicContact CZ-OE1 2.77Å; R326-E524 IonicContact NH1-OE1 3.75Å; R326-E524 PolarHBondContact NH1-OE1 3.16Å; R326-E524 IonicContact NH2-OE1 2.81Å; E524-S526 PolarHBondContact O-N 3.32Å; E524-Y527 WeakPolarHBondContact O-CB 3.42Å; E524-Y527 PolarHBondContact O-N 3.21Å; E524-Y527 VanDerWaalsContact O-N 3.1Å; E524-F528 HydrophobicContact CB-CD2 4.34Å; E524-F528 HydrophobicContact CB-CE2 3.89Å; E524-F528 HydrophobicContact CG-CE2 4.37Å; E524-F528 WeakPolarHBondContact O-CD2 3.49Å; E524-F528 WeakPolarHBondContact O-CE2 3.34Å; E524-F528 WeakPolarHBondContact OE2-CE2 3.45Å
525A49.7Very low43Very low75 Ų7588 Ų8862%0.6249%0.485SS*.Hα-helixtrans-57.2-35177.800000113.6D523 Y527 F528 D529D523-A525 PolarHBondContact O-N 2.88Å; A525-Y527 PolarHBondContact O-N 3.14Å; A525-F528 PolarHBondContact O-N 3.32Å; A525-D529 PolarHBondContact O-N 2.66Å
526S49.5Very low44.8Very low47 Ų4786.4 Ų86.433%0.32948%0.481SS..Hα-helixtrans-70.9-28.7-179.977.40000113.2S402 D523 E524 F528S402-S526 PolarHBondContact OG-O 2.94Å; D523-S526 WeakPolarHBondContact O-CB 3.45Å; D523-S526 PolarHBondContact O-N 3.41Å; D523-S526 PolarHBondContact O-OG 2.9Å; E524-S526 PolarHBondContact O-N 3.32Å; S526-F528 VanDerWaalsContact C-N 3.25Å; S526-F528 PolarHBondContact O-N 3.5Å
527Y47.5Very low46.7Very low17 Ų1784.3 Ų84.37%0.06747%0.466CS..Hα-helixtrans-67.5-29.8173.9-77.4-84.1000112.1Y404 L405 A408 I517 D523 E524 A525Y404-Y527 AromaticContact CD1-CD1 3.82Å; Y404-Y527 HydrophobicContact CD1-CD1 3.82Å; Y404-Y527 HydrophobicContact CD1-CD2 4.24Å; Y404-Y527 AromaticContact CD1-CE1 3.74Å; Y404-Y527 HydrophobicContact CD1-CE1 3.74Å; Y404-Y527 HydrophobicContact CD1-CE2 4.21Å; Y404-Y527 HydrophobicContact CD1-CG 4.09Å; Y404-Y527 AromaticContact CD1-CZ 3.97Å; Y404-Y527 HydrophobicContact CE1-CD1 4.04Å; Y404-Y527 AromaticContact CE1-CD2 3.96Å; Y404-Y527 HydrophobicContact CE1-CD2 3.96Å; Y404-Y527 AromaticContact CE1-CE1 3.58Å; Y404-Y527 HydrophobicContact CE1-CE1 3.58Å; Y404-Y527 AromaticContact CE1-CE2 3.52Å; Y404-Y527 HydrophobicContact CE1-CE2 3.52Å; Y404-Y527 HydrophobicContact CE1-CG 4.23Å; Y404-Y527 AromaticContact CE1-CZ 3.33Å; L405-Y527 HydrophobicContact CD1-CD1 4.14Å; L405-Y527 HydrophobicContact CD1-CE1 4.49Å; A408-Y527 HydrophobicContact CB-CE1 4.46Å; I517-Y527 PolarHBondContact O-OH 3.33Å; D523-Y527 WeakPolarHBondContact O-CD2 3.43Å; D523-Y527 PolarHBondContact O-N 3.16Å; E524-Y527 WeakPolarHBondContact O-CB 3.42Å; E524-Y527 PolarHBondContact O-N 3.21Å; E524-Y527 VanDerWaalsContact O-N 3.1Å; A525-Y527 PolarHBondContact O-N 3.14Å
528F54.6Low49.3Very low32 Ų3287.4 Ų87.414%0.1449%0.485CS..  trans-117.77.9-159.2-51.9-51.4000115.1S363 Y364 E524 A525 S526 A530S363-F528 VanDerWaalsContact OG-CD1 3.31Å; S363-F528 WeakPolarHBondContact OG-CD1 3.32Å; Y364-F528 HydrophobicContact CD1-CD1 4.01Å; Y364-F528 HydrophobicContact CD1-CD2 4.44Å; Y364-F528 AromaticContact CD1-CE1 3.34Å; Y364-F528 HydrophobicContact CD1-CE1 3.34Å; Y364-F528 AromaticContact CD1-CE2 3.91Å; Y364-F528 HydrophobicContact CD1-CE2 3.91Å; Y364-F528 AromaticContact CD1-CZ 3.32Å; Y364-F528 HydrophobicContact CD1-CZ 3.32Å; Y364-F528 HydrophobicContact CD2-CD1 4.31Å; Y364-F528 HydrophobicContact CD2-CE1 4.26Å; Y364-F528 AromaticContact CE1-CD1 3.66Å; Y364-F528 HydrophobicContact CE1-CD1 3.66Å; Y364-F528 AromaticContact CE1-CD2 3.52Å; Y364-F528 HydrophobicContact CE1-CD2 3.52Å; Y364-F528 AromaticContact CE1-CE1 3.38Å; Y364-F528 HydrophobicContact CE1-CE1 3.38Å; Y364-F528 AromaticContact CE1-CE2 3.28Å; Y364-F528 HydrophobicContact CE1-CE2 3.28Å; Y364-F528 AromaticContact CE1-CG 3.76Å; Y364-F528 HydrophobicContact CE1-CG 3.76Å; Y364-F528 AromaticContact CE1-CZ 3.21Å; Y364-F528 HydrophobicContact CE1-CZ 3.21Å; Y364-F528 HydrophobicContact CE2-CD1 4.01Å; Y364-F528 HydrophobicContact CE2-CE1 4.3Å; Y364-F528 HydrophobicContact CE2-CG 4.28Å; Y364-F528 HydrophobicContact CG-CD1 4.32Å; Y364-F528 AromaticContact CG-CE1 3.82Å; Y364-F528 HydrophobicContact CG-CE1 3.82Å; Y364-F528 HydrophobicContact CG-CZ 4.25Å; Y364-F528 AromaticContact CZ-CD1 3.65Å; Y364-F528 AromaticContact CZ-CD2 3.71Å; Y364-F528 AromaticContact CZ-CE1 3.87Å; Y364-F528 AromaticContact CZ-CE2 3.98Å; Y364-F528 AromaticContact CZ-CG 3.59Å; E524-F528 HydrophobicContact CB-CD2 4.34Å; E524-F528 HydrophobicContact CB-CE2 3.89Å; E524-F528 HydrophobicContact CG-CE2 4.37Å; E524-F528 WeakPolarHBondContact O-CD2 3.49Å; E524-F528 WeakPolarHBondContact O-CE2 3.34Å; E524-F528 WeakPolarHBondContact OE2-CE2 3.45Å; A525-F528 PolarHBondContact O-N 3.32Å; S526-F528 VanDerWaalsContact C-N 3.25Å; S526-F528 PolarHBondContact O-N 3.5Å; F528-A530 PolarHBondContact O-N 3.31Å
529D46.6Very low51.8Low111 Ų11187.9 Ų87.959%0.59449%0.488SS*.  trans-63.4100176.6-160.9-3.6000110.4A525 K531A525-D529 PolarHBondContact O-N 2.66Å; D529-K531 PolarHBondContact O-N 3.48Å; D529-K531 PolarHBondContact OD1-N 2.78Å
530A47.2Very low54.4Low84 Ų8484.3 Ų84.369%0.69448%0.477SS*.  trans-81.43.7-176.500000112.6F528 V532F528-A530 PolarHBondContact O-N 3.31Å; A530-V532 VanDerWaalsContact C-N 3.29Å; A530-V532 WeakPolarHBondContact O-CG2 3.09Å; A530-V532 PolarHBondContact O-N 2.91Å
531K47.5Very low56.7Low160 Ų16079.4 Ų79.470%0.69646%0.455SS*.  trans-68.294.6171.4-72.4-178.7-178.61750108D529 T533D529-K531 PolarHBondContact O-N 3.48Å; D529-K531 PolarHBondContact OD1-N 2.78Å; K531-T533 PolarHBondContact O-N 2.95Å; K531-T533 PolarHBondContact O-OG1 3.44Å
532V44.1Very low58.9Low121 Ų12172.3 Ų72.373%0.73342%0.416SS*.  trans-68.749.9170.7-165.50000109.7A530A530-V532 VanDerWaalsContact C-N 3.29Å; A530-V532 WeakPolarHBondContact O-CG2 3.09Å; A530-V532 PolarHBondContact O-N 2.91Å
533T43.9Very low61.1Low107 Ų10764.1 Ų64.166%0.65638%0.378SS*.SBendtrans-70.3133.5156.335.40000106.4K531 V535K531-T533 PolarHBondContact O-N 2.95Å; K531-T533 PolarHBondContact O-OG1 3.44Å; T533-V535 PolarHBondContact O-N 2.96Å; T533-V535 VanDerWaalsContact O-N 3.09Å
534A49.9Very low63.5Low71 Ų7164.2 Ų64.259%0.58738%0.377SS*.  trans-29.6118.9176.100000110.2N536A534-N536 VanDerWaalsContact O-CG 3.22Å; A534-N536 PolarHBondContact O-N 3.48Å; A534-N536 PolarHBondContact O-OD1 3.21Å
535V54.8Low65.8Low39 Ų3961 Ų6124%0.23636%0.362CS..  trans-56.487.8-170.8-176.80000109P399 P403 Q464 T533 F537P399-V535 WeakPolarHBondContact O-CG2 3.46Å; P403-V535 HydrophobicContact CG-CG1 3.59Å; Q464-V535 PolarHBondContact OE1-O 3.43Å; T533-V535 PolarHBondContact O-N 2.96Å; T533-V535 VanDerWaalsContact O-N 3.09Å; V535-F537 HydrophobicContact CG1-CD2 4.07Å; V535-F537 HydrophobicContact CG1-CE2 3.74Å
536N68.6Low67.8Low112 Ų11257.4 Ų57.460%0.59933%0.332SS*.  trans-93.6104.6179.7-75.1-17.3000104.8A534A534-N536 VanDerWaalsContact O-CG 3.22Å; A534-N536 PolarHBondContact O-N 3.48Å; A534-N536 PolarHBondContact O-OD1 3.21Å
537F74.8Confident69.7Low8 Ų855.7 Ų55.74%0.03532%0.319CS..  trans-64.7137173.7-78-108.3000109.4P403 M459 Q464 I468 V535 E541 C542 M545P403-F537 HydrophobicContact CB-CD1 3.8Å; P403-F537 HydrophobicContact CB-CE1 3.58Å; P403-F537 HydrophobicContact CB-CE2 4.45Å; P403-F537 HydrophobicContact CB-CG 4.34Å; P403-F537 HydrophobicContact CB-CZ 3.91Å; P403-F537 HydrophobicContact CG-CD1 4.32Å; P403-F537 HydrophobicContact CG-CD2 4.41Å; P403-F537 HydrophobicContact CG-CE1 4.3Å; P403-F537 HydrophobicContact CG-CE2 4.37Å; P403-F537 HydrophobicContact CG-CG 4.37Å; P403-F537 HydrophobicContact CG-CZ 4.3Å; M459-F537 HydrophobicContact CE-CE2 4.26Å; Q464-F537 HydrophobicContact CG-CD2 3.9Å; Q464-F537 HydrophobicContact CG-CE2 4.36Å; I468-F537 HydrophobicContact CD1-CB 4.18Å; I468-F537 WeakPolarHBondContact CD1-O 3.5Å; I468-F537 WeakPolarHBondContact CG1-O 3.29Å; V535-F537 HydrophobicContact CG1-CD2 4.07Å; V535-F537 HydrophobicContact CG1-CE2 3.74Å; F537-E541 HydrophobicContact CD1-CB 3.9Å; F537-C542 WeakPolarHBondContact CB-SG 3.4Å; F537-M545 HydrophobicContact CE1-CB 4.29Å; F537-M545 HydrophobicContact CE1-CE 3.95Å; F537-M545 HydrophobicContact CE1-CG 4.31Å; F537-M545 HydrophobicContact CZ-CE 4.09Å
538T85.5Confident71.8Confident77 Ų7755.2 Ų55.247%0.47232%0.319SS..  trans-72159.4156.1650000109.7V540 E541 C542T538-V540 PolarHBondContact O-N 2.96Å; T538-E541 WeakPolarHBondContact CB-OE2 3.25Å; T538-E541 WeakPolarHBondContact CG2-OE2 3.44Å; T538-E541 PolarHBondContact N-OE2 3.29Å; T538-E541 PolarHBondContact O-N 3.01Å; T538-E541 VanDerWaalsContact OG1-CD 3.25Å; T538-E541 WeakPolarHBondContact OG1-CG 3.35Å; T538-E541 PolarHBondContact OG1-N 3.4Å; T538-E541 PolarHBondContact OG1-OE2 2.85Å; T538-C542 PolarHBondContact O-N 2.8Å
539I84.1Confident73.6Confident41 Ų4153.7 Ų53.721%0.2131%0.312CS..Hα-helixtrans-58.5-38.8178.6-64.5157.5000111.1I468 C542 Q543 F601I468-I539 HydrophobicContact CG2-CD1 3.93Å; I468-I539 HydrophobicContact CG2-CG1 3.41Å; I468-I539 VanDerWaalsContact CG2-CG1 3.41Å; I539-C542 WeakPolarHBondContact O-CB 3.2Å; I539-C542 PolarHBondContact O-N 3.32Å; I539-Q543 HydrophobicContact CG2-CG 4.49Å; I539-Q543 WeakPolarHBondContact O-CG 3.32Å; I539-Q543 PolarHBondContact O-N 2.64Å; I539-F601 HydrophobicContact CD1-CD1 3.45Å; I539-F601 VanDerWaalsContact CD1-CD1 3.45Å; I539-F601 HydrophobicContact CD1-CE1 3.31Å; I539-F601 HydrophobicContact CD1-CG 4.34Å; I539-F601 HydrophobicContact CD1-CZ 4.11Å
540V85.7Confident75.6Confident67 Ų6748.4 Ų48.441%0.40628%0.284SS..Hα-helixtrans-66.7-43-179.7-179.60000110.9T538 C542 Q543 Q544T538-V540 PolarHBondContact O-N 2.96Å; V540-C542 VanDerWaalsContact C-N 3.32Å; V540-C542 PolarHBondContact O-N 3.42Å; V540-Q543 PolarHBondContact O-N 2.73Å; V540-Q544 HydrophobicContact CG1-CG 4.5Å; V540-Q544 WeakPolarHBondContact O-CG 3.44Å; V540-Q544 PolarHBondContact O-N 2.96Å
541E88.7Confident77.6Confident42 Ų4244.7 Ų44.720%0.19625%0.254CS..Hα-helixtrans-63.5-38.1174.8-70165.8134.700111.7P403 F537 T538 M545P403-E541 HydrophobicContact CB-CB 4.12Å; P403-E541 HydrophobicContact CB-CG 4.25Å; F537-E541 HydrophobicContact CD1-CB 3.9Å; T538-E541 WeakPolarHBondContact CB-OE2 3.25Å; T538-E541 WeakPolarHBondContact CG2-OE2 3.44Å; T538-E541 PolarHBondContact N-OE2 3.29Å; T538-E541 PolarHBondContact O-N 3.01Å; T538-E541 VanDerWaalsContact OG1-CD 3.25Å; T538-E541 WeakPolarHBondContact OG1-CG 3.35Å; T538-E541 PolarHBondContact OG1-N 3.4Å; T538-E541 PolarHBondContact OG1-OE2 2.85Å; E541-M545 WeakPolarHBondContact O-CB 3.49Å; E541-M545 PolarHBondContact O-N 3.24Å
542C88.6Confident79.8Confident0 Ų037.1 Ų37.10%022%0.221CC..Hα-helixtrans-59.8-47.9171.9-76.60000111.6I460 L465 I468 F537 T538 I539 V540 Q544 M545 I546I460-C542 HydrophobicContact CG2-CB 4.33Å; L465-C542 HydrophobicContact CD2-CB 4.2Å; I468-C542 VanDerWaalsContact CD1-SG 3.59Å; F537-C542 WeakPolarHBondContact CB-SG 3.4Å; T538-C542 PolarHBondContact O-N 2.8Å; I539-C542 WeakPolarHBondContact O-CB 3.2Å; I539-C542 PolarHBondContact O-N 3.32Å; V540-C542 VanDerWaalsContact C-N 3.32Å; V540-C542 PolarHBondContact O-N 3.42Å; C542-Q544 PolarHBondContact O-N 3.22Å; C542-M545 PolarHBondContact O-N 3.44Å; C542-I546 WeakPolarHBondContact O-CB 3.27Å; C542-I546 WeakPolarHBondContact O-CD1 3.43Å; C542-I546 WeakPolarHBondContact O-CG1 3.35Å; C542-I546 PolarHBondContact O-N 3.1Å
543Q89Confident82Confident8 Ų831.3 Ų31.34%0.03719%0.186CC..Hα-helixtrans-60.6-45.9180-71.5171.3-12.600111.7I539 V540 I546 N547 A598 F599 E618I539-Q543 HydrophobicContact CG2-CG 4.49Å; I539-Q543 WeakPolarHBondContact O-CG 3.32Å; I539-Q543 PolarHBondContact O-N 2.64Å; V540-Q543 PolarHBondContact O-N 2.73Å; Q543-I546 PolarHBondContact O-N 2.97Å; Q543-N547 PolarHBondContact O-N 3.18Å; Q543-A598 HydrophobicContact CG-CB 4.28Å; Q543-A598 PolarHBondContact NE2-O 3.21Å; Q543-F599 HydrophobicContact CB-CD1 4.48Å; Q543-F599 HydrophobicContact CB-CE1 3.81Å; Q543-F599 HydrophobicContact CB-CZ 4.16Å; Q543-F599 HydrophobicContact CG-CD1 3.96Å; Q543-F599 HydrophobicContact CG-CE1 3.76Å; Q543-F599 HydrophobicContact CG-CZ 4.21Å; Q543-E618 HydrophobicContact CB-CB 4.41Å
544Q90.3Very high84.1Confident62 Ų6228.2 Ų28.229%0.2916%0.162SC..Hα-helixtrans-62.5-44.6177.2-70.6174.6-5.700111.8T407 V540 C542 N547 A548T407-Q544 HydrophobicContact CG2-CB 4.3Å; V540-Q544 HydrophobicContact CG1-CG 4.5Å; V540-Q544 WeakPolarHBondContact O-CG 3.44Å; V540-Q544 PolarHBondContact O-N 2.96Å; C542-Q544 PolarHBondContact O-N 3.22Å; Q544-N547 PolarHBondContact O-N 2.91Å; Q544-A548 WeakPolarHBondContact O-CB 3.39Å; Q544-A548 PolarHBondContact O-N 3.32Å
545M91.3Very high86Confident0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-63.4-43.8177.4-178.366.380.400112.1P403 Q406 T407 I410 R456 I460 F537 E541 C542 N547 A548 I549P403-M545 WeakPolarHBondContact O-CE 3.37Å; Q406-M545 HydrophobicContact CB-CE 3.54Å; T407-M545 WeakPolarHBondContact OG1-CE 3.42Å; I410-M545 HydrophobicContact CD1-SD 3.46Å; I410-M545 WeakPolarHBondContact CD1-SD 3.49Å; R456-M545 HydrophobicContact CG-SD 4.46Å; I460-M545 HydrophobicContact CD1-CB 4.09Å; I460-M545 HydrophobicContact CD1-CG 3.22Å; F537-M545 HydrophobicContact CE1-CB 4.29Å; F537-M545 HydrophobicContact CE1-CE 3.95Å; F537-M545 HydrophobicContact CE1-CG 4.31Å; F537-M545 HydrophobicContact CZ-CE 4.09Å; E541-M545 WeakPolarHBondContact O-CB 3.49Å; E541-M545 PolarHBondContact O-N 3.24Å; C542-M545 PolarHBondContact O-N 3.44Å; M545-N547 VanDerWaalsContact C-N 3.34Å; M545-N547 PolarHBondContact O-N 3.49Å; M545-A548 PolarHBondContact O-N 3.17Å; M545-I549 HydrophobicContact CG-CD1 3.96Å; M545-I549 VanDerWaalsContact O-CG1 3.26Å; M545-I549 WeakPolarHBondContact O-CG1 3.31Å; M545-I549 PolarHBondContact O-N 3.24Å; M545-I549 HydrophobicContact SD-CD1 4.28Å
546I90.8Very high87.7Confident0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-59.5-47.2175.9-69.4158.6000110L457 I460 C542 Q543 A548 I549 L550 A598 F599 F622L457-I546 HydrophobicContact CD1-CG1 4.01Å; L457-I546 HydrophobicContact CD1-CG2 4.37Å; I460-I546 HydrophobicContact CG2-CD1 4.41Å; I460-I546 HydrophobicContact CG2-CG1 4.41Å; C542-I546 WeakPolarHBondContact O-CB 3.27Å; C542-I546 WeakPolarHBondContact O-CD1 3.43Å; C542-I546 WeakPolarHBondContact O-CG1 3.35Å; C542-I546 PolarHBondContact O-N 3.1Å; Q543-I546 PolarHBondContact O-N 2.97Å; I546-A548 PolarHBondContact O-N 3.47Å; I546-I549 PolarHBondContact O-N 3.44Å; I546-L550 HydrophobicContact CG2-CD1 4.02Å; I546-L550 HydrophobicContact CG2-CG 4.36Å; I546-L550 WeakPolarHBondContact O-CG 3.49Å; I546-L550 PolarHBondContact O-N 3.09Å; I546-A598 HydrophobicContact CD1-CB 3.56Å; I546-F599 HydrophobicContact CB-CE2 4.42Å; I546-F599 HydrophobicContact CB-CZ 4.34Å; I546-F599 HydrophobicContact CD1-CE2 4.23Å; I546-F599 HydrophobicContact CG2-CE2 3.96Å; I546-F599 HydrophobicContact CG2-CZ 4.15Å; I546-F622 HydrophobicContact CG2-CD2 3.84Å; I546-F622 HydrophobicContact CG2-CE2 3.89Å
547N90.4Very high88.4Confident10 Ų1018.9 Ų18.95%0.05310%0.102CC..Hα-helixtrans-63.5-40.2178.4-78.6-17000112.7Q543 Q544 M545 L550 G551 E618 F622Q543-N547 PolarHBondContact O-N 3.18Å; Q544-N547 PolarHBondContact O-N 2.91Å; M545-N547 VanDerWaalsContact C-N 3.34Å; M545-N547 PolarHBondContact O-N 3.49Å; N547-L550 PolarHBondContact O-N 3.11Å; N547-G551 PolarHBondContact O-N 3.39Å; N547-E618 PolarHBondContact ND2-O 3.03Å; N547-F622 VanDerWaalsContact OD1-CA 3.26Å; N547-F622 WeakPolarHBondContact OD1-CA 3.48Å; N547-F622 WeakPolarHBondContact OD1-CB 3.38Å; N547-F622 PolarHBondContact OD1-N 3.01Å
548A91.8Very high88.8Confident7 Ų723.1 Ų23.16%0.05812%0.118CC..Hα-helixtrans-62.8-42.817500000111.9T407 I410 Q544 M545 I546 G551 C552T407-A548 HydrophobicContact CG2-CB 3.77Å; I410-A548 HydrophobicContact CB-CB 4.31Å; I410-A548 HydrophobicContact CG2-CB 4.08Å; I410-A548 WeakPolarHBondContact CG2-O 3.37Å; Q544-A548 WeakPolarHBondContact O-CB 3.39Å; Q544-A548 PolarHBondContact O-N 3.32Å; M545-A548 PolarHBondContact O-N 3.17Å; I546-A548 PolarHBondContact O-N 3.47Å; A548-G551 PolarHBondContact O-N 3.3Å; A548-C552 WeakPolarHBondContact O-CB 3.3Å; A548-C552 PolarHBondContact O-N 3.46Å
549I92.9Very high88.8Confident0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-62.4-51.1176.3-68.8163.2000110.5I410 V453 R456 L457 I460 M545 I546 G551 C552 C553I410-I549 HydrophobicContact CD1-CD1 4.32Å; I410-I549 HydrophobicContact CD1-CG1 3.58Å; V453-I549 HydrophobicContact CB-CG1 4.34Å; V453-I549 HydrophobicContact CB-CG2 3.97Å; V453-I549 HydrophobicContact CG2-CG2 4.12Å; R456-I549 HydrophobicContact CB-CD1 4.19Å; R456-I549 HydrophobicContact CG-CD1 4.27Å; L457-I549 HydrophobicContact CB-CD1 3.99Å; L457-I549 HydrophobicContact CB-CG2 4.11Å; L457-I549 HydrophobicContact CD1-CD1 4.47Å; L457-I549 HydrophobicContact CD2-CG2 4.43Å; I460-I549 HydrophobicContact CD1-CD1 4.04Å; M545-I549 HydrophobicContact CG-CD1 3.96Å; M545-I549 VanDerWaalsContact O-CG1 3.26Å; M545-I549 WeakPolarHBondContact O-CG1 3.31Å; M545-I549 PolarHBondContact O-N 3.24Å; M545-I549 HydrophobicContact SD-CD1 4.28Å; I546-I549 PolarHBondContact O-N 3.44Å; I549-G551 VanDerWaalsContact C-N 3.32Å; I549-G551 PolarHBondContact O-N 3.31Å; I549-C552 WeakPolarHBondContact O-CB 3.4Å; I549-C552 PolarHBondContact O-N 3.27Å; I549-C552 VanDerWaalsContact O-N 3.14Å; I549-C553 PolarHBondContact O-N 3.23Å; I549-C553 PolarHBondContact O-SG 3.43Å
550L88.6Confident88.7Confident0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-63.1-38.8-179.6-66.8179.1000112.1I546 N547 C552 C553 R554 I588 F622 Q625 F626 I629I546-L550 HydrophobicContact CG2-CD1 4.02Å; I546-L550 HydrophobicContact CG2-CG 4.36Å; I546-L550 WeakPolarHBondContact O-CG 3.49Å; I546-L550 PolarHBondContact O-N 3.09Å; N547-L550 PolarHBondContact O-N 3.11Å; L550-C552 VanDerWaalsContact C-N 3.34Å; L550-C552 PolarHBondContact O-N 3.26Å; L550-C553 PolarHBondContact O-N 2.97Å; L550-R554 WeakPolarHBondContact O-CB 3.25Å; L550-R554 PolarHBondContact O-N 2.97Å; L550-I588 HydrophobicContact CD2-CG2 4.39Å; L550-F622 HydrophobicContact CD1-CD2 3.44Å; L550-F622 VanDerWaalsContact CD1-CD2 3.44Å; L550-F622 HydrophobicContact CD1-CE2 3.4Å; L550-F622 VanDerWaalsContact CD1-CE2 3.4Å; L550-F622 HydrophobicContact CD1-CG 4.43Å; L550-F622 HydrophobicContact CD1-CZ 4.34Å; L550-Q625 HydrophobicContact CB-CB 3.92Å; L550-F626 HydrophobicContact CD1-CB 4.48Å; L550-F626 HydrophobicContact CD1-CD2 4.34Å; L550-F626 HydrophobicContact CD2-CD2 4.26Å; L550-I629 HydrophobicContact CB-CD1 4.13Å; L550-I629 HydrophobicContact CD2-CD1 3.73Å; L550-I629 HydrophobicContact CG-CD1 4.49Å
551G88.1Confident88.2Confident7 Ų718.5 Ų18.57%0.0729%0.086CC..Hα-helixtrans-59.6-43.3172.700000112.4N547 A548 I549 R554 T555N547-G551 PolarHBondContact O-N 3.39Å; A548-G551 PolarHBondContact O-N 3.3Å; I549-G551 VanDerWaalsContact C-N 3.32Å; I549-G551 PolarHBondContact O-N 3.31Å; G551-R554 PolarHBondContact O-N 3.29Å; G551-T555 PolarHBondContact O-N 2.94Å; G551-T555 VanDerWaalsContact O-N 3.09Å; G551-T555 PolarHBondContact O-OG1 3.09Å
552C94Very high87.6Confident0 Ų021.5 Ų21.50%010%0.098CC..Hα-helixtrans-65-45.6175.1-167.60000111.9I410 N414 A548 I549 L550 R554 T555 V556I410-C552 HydrophobicContact CG2-CB 3.87Å; N414-C552 HydrophobicContact CB-CB 4.24Å; A548-C552 WeakPolarHBondContact O-CB 3.3Å; A548-C552 PolarHBondContact O-N 3.46Å; I549-C552 WeakPolarHBondContact O-CB 3.4Å; I549-C552 PolarHBondContact O-N 3.27Å; I549-C552 VanDerWaalsContact O-N 3.14Å; L550-C552 VanDerWaalsContact C-N 3.34Å; L550-C552 PolarHBondContact O-N 3.26Å; C552-R554 VanDerWaalsContact C-N 3.33Å; C552-R554 PolarHBondContact O-N 3.31Å; C552-T555 PolarHBondContact O-N 3.23Å; C552-V556 WeakPolarHBondContact O-CG2 3.4Å; C552-V556 PolarHBondContact O-N 3Å
553C90.4Very high86.7Confident0 Ų023.3 Ų23.30%011%0.106CC..Hα-helixtrans-56.7-47175.6-660000111.5M450 I549 L550 T555 V556 I557 I588 I629M450-C553 HydrophobicContact CE-CB 4.17Å; M450-C553 HydrophobicContact SD-CB 3.72Å; M450-C553 PolarHBondContact SD-SG 3.29Å; I549-C553 PolarHBondContact O-N 3.23Å; I549-C553 PolarHBondContact O-SG 3.43Å; L550-C553 PolarHBondContact O-N 2.97Å; C553-T555 VanDerWaalsContact C-N 3.35Å; C553-T555 PolarHBondContact O-N 3.05Å; C553-V556 PolarHBondContact O-N 3.05Å; C553-I557 WeakPolarHBondContact O-CB 3.47Å; C553-I557 WeakPolarHBondContact O-CD1 3.26Å; C553-I557 WeakPolarHBondContact O-CG1 3.31Å; C553-I557 PolarHBondContact O-N 3.3Å; C553-I588 HydrophobicContact CB-CD1 4.33Å; C553-I629 HydrophobicContact CB-CD1 4.09Å
554R87.7Confident85.3Confident41 Ų4127.1 Ų27.116%0.15512%0.124CC..Hα-helixtrans-56.9-47.2176.1167.8-168.5152.7167.5-13.9111.5L550 G551 C552 I557 W558 E624 I629L550-R554 WeakPolarHBondContact O-CB 3.25Å; L550-R554 PolarHBondContact O-N 2.97Å; G551-R554 PolarHBondContact O-N 3.29Å; C552-R554 VanDerWaalsContact C-N 3.33Å; C552-R554 PolarHBondContact O-N 3.31Å; R554-I557 PolarHBondContact O-N 3.26Å; R554-W558 WeakPolarHBondContact O-CB 3.37Å; R554-W558 PolarHBondContact O-N 3.02Å; R554-E624 IonicContact NH1-OE1 3.12Å; R554-I629 HydrophobicContact CB-CG1 4.4Å
555T90Very high83.5Confident12 Ų1225 Ų257%0.07412%0.115CC..Hα-helixtrans-61.9-45.8179.3-620000111.1N414 L417 G551 C552 C553 I557 W558 I559N414-T555 WeakPolarHBondContact OD1-CB 3.28Å; N414-T555 WeakPolarHBondContact OD1-CG2 3.48Å; N414-T555 PolarHBondContact OD1-OG1 3.14Å; L417-T555 HydrophobicContact CB-CG2 4.26Å; G551-T555 PolarHBondContact O-N 2.94Å; G551-T555 VanDerWaalsContact O-N 3.09Å; G551-T555 PolarHBondContact O-OG1 3.09Å; C552-T555 PolarHBondContact O-N 3.23Å; C553-T555 VanDerWaalsContact C-N 3.35Å; C553-T555 PolarHBondContact O-N 3.05Å; T555-I557 VanDerWaalsContact C-N 3.34Å; T555-I557 PolarHBondContact O-N 3.45Å; T555-W558 PolarHBondContact O-N 3.17Å; T555-I559 HydrophobicContact CG2-CD1 3.94Å; T555-I559 HydrophobicContact CG2-CG1 4.48Å; T555-I559 VanDerWaalsContact O-CG1 3.24Å; T555-I559 WeakPolarHBondContact O-CG1 3.16Å; T555-I559 PolarHBondContact O-N 3.44Å
556V89.8Confident81.2Confident1 Ų132 Ų321%0.00615%0.153CC..Hα-helixtrans-58.2-47.5176.3172.60000111.1L417 L446 V449 M450 C552 C553 W558 I559 L560L417-V556 HydrophobicContact CD1-CG2 3.72Å; L446-V556 HydrophobicContact CB-CG1 3.93Å; L446-V556 HydrophobicContact CD2-CG1 4.19Å; L446-V556 HydrophobicContact CD2-CG2 4.18Å; V449-V556 HydrophobicContact CG1-CG2 4.28Å; M450-V556 HydrophobicContact CE-CB 3.64Å; M450-V556 HydrophobicContact CE-CG1 3.53Å; M450-V556 HydrophobicContact CE-CG2 4.49Å; C552-V556 WeakPolarHBondContact O-CG2 3.4Å; C552-V556 PolarHBondContact O-N 3Å; C553-V556 PolarHBondContact O-N 3.05Å; V556-W558 VanDerWaalsContact C-N 3.35Å; V556-W558 PolarHBondContact O-N 3.04Å; V556-I559 PolarHBondContact O-N 2.74Å; V556-L560 HydrophobicContact CG1-CD1 3.92Å; V556-L560 HydrophobicContact CG1-CG 4.37Å; V556-L560 WeakPolarHBondContact O-CG 3.45Å; V556-L560 PolarHBondContact O-N 3.15Å
557I84.1Confident79.1Confident13 Ų1336.8 Ų36.87%0.06717%0.174CC..Hα-helixtrans-59.9-45.6178.3-71.5165.6000111.1M450 C553 R554 T555 I559 L560 Q561 L585 I629 A632M450-I557 HydrophobicContact CE-CD1 4.3Å; M450-I557 HydrophobicContact CE-CG1 3.84Å; C553-I557 WeakPolarHBondContact O-CB 3.47Å; C553-I557 WeakPolarHBondContact O-CD1 3.26Å; C553-I557 WeakPolarHBondContact O-CG1 3.31Å; C553-I557 PolarHBondContact O-N 3.3Å; R554-I557 PolarHBondContact O-N 3.26Å; T555-I557 VanDerWaalsContact C-N 3.34Å; T555-I557 PolarHBondContact O-N 3.45Å; I557-I559 VanDerWaalsContact C-N 3.33Å; I557-I559 PolarHBondContact O-N 3.07Å; I557-L560 PolarHBondContact O-N 3.24Å; I557-Q561 HydrophobicContact CG2-CG 4.45Å; I557-Q561 WeakPolarHBondContact O-CB 2.76Å; I557-Q561 WeakPolarHBondContact O-CG 3.42Å; I557-Q561 PolarHBondContact O-N 3.4Å; I557-L585 HydrophobicContact CD1-CD2 3.47Å; I557-L585 VanDerWaalsContact CD1-CD2 3.47Å; I557-L585 HydrophobicContact CG1-CD2 3.86Å; I557-I629 HydrophobicContact CD1-CB 4.45Å; I557-I629 HydrophobicContact CD1-CG1 4.08Å; I557-I629 HydrophobicContact CD1-CG2 4.06Å; I557-A632 HydrophobicContact CG2-CB 3.29Å
558W82.8Confident77Confident98 Ų9841.8 Ų41.837%0.37120%0.201SC..Hα-helixtrans-60-42.9177.6171.176.6000111.8A421 R554 T555 V556 Q561 K562A421-W558 HydrophobicContact CB-CH2 4.29Å; A421-W558 HydrophobicContact CB-CZ3 3.74Å; R554-W558 WeakPolarHBondContact O-CB 3.37Å; R554-W558 PolarHBondContact O-N 3.02Å; T555-W558 PolarHBondContact O-N 3.17Å; V556-W558 VanDerWaalsContact C-N 3.35Å; V556-W558 PolarHBondContact O-N 3.04Å; W558-Q561 PolarHBondContact O-N 3.25Å; W558-K562 HydrophobicContact CH2-CD 4.23Å; W558-K562 HydrophobicContact CZ2-CD 3.76Å; W558-K562 WeakPolarHBondContact O-CB 3.43Å; W558-K562 PolarHBondContact O-N 3.23Å
559I85.9Confident75Confident1 Ų150.9 Ų50.91%0.00524%0.239CC..Hα-helixtrans-62.8-47.3176.3-62.9168.1000110.6L417 A421 F438 L446 T555 V556 I557 Q561 K562 H563L417-I559 HydrophobicContact CB-CD1 4.09Å; A421-I559 HydrophobicContact CB-CD1 3.88Å; A421-I559 HydrophobicContact CB-CG1 3.73Å; F438-I559 HydrophobicContact CE2-CG2 4.03Å; F438-I559 HydrophobicContact CZ-CG2 4.05Å; L446-I559 HydrophobicContact CD1-CB 4.23Å; L446-I559 HydrophobicContact CD1-CG2 3.7Å; L446-I559 HydrophobicContact CD2-CD1 4.14Å; T555-I559 HydrophobicContact CG2-CD1 3.94Å; T555-I559 HydrophobicContact CG2-CG1 4.48Å; T555-I559 VanDerWaalsContact O-CG1 3.24Å; T555-I559 WeakPolarHBondContact O-CG1 3.16Å; T555-I559 PolarHBondContact O-N 3.44Å; V556-I559 PolarHBondContact O-N 2.74Å; I557-I559 VanDerWaalsContact C-N 3.33Å; I557-I559 PolarHBondContact O-N 3.07Å; I559-Q561 VanDerWaalsContact C-N 3.29Å; I559-Q561 PolarHBondContact O-N 3.22Å; I559-K562 PolarHBondContact O-N 3.45Å; I559-H563 PolarHBondContact O-CD2 3.1Å; I559-H563 PolarHBondContact O-N 3.25Å
560L81.2Confident72.9Confident14 Ų1456.3 Ų56.37%0.07326%0.264CS..Hα-helixtrans-62-35179.1-70.8172.3000112.7L446 L447 V556 I557 E581L446-L560 HydrophobicContact CB-CD2 4.44Å; L446-L560 HydrophobicContact CD1-CD2 3.71Å; L446-L560 HydrophobicContact CD1-CG 4.03Å; L447-L560 HydrophobicContact CD2-CD1 4.43Å; V556-L560 HydrophobicContact CG1-CD1 3.92Å; V556-L560 HydrophobicContact CG1-CG 4.37Å; V556-L560 WeakPolarHBondContact O-CG 3.45Å; V556-L560 PolarHBondContact O-N 3.15Å; I557-L560 PolarHBondContact O-N 3.24Å; L560-E581 HydrophobicContact CD1-CG 4.16Å
561Q76.8Confident71.3Confident73 Ų7361.4 Ų61.434%0.34129%0.288SS..Hα-helixtrans-74-41.5176.6-74.7-179.8-14.900112.4I557 W558 I559 A632I557-Q561 HydrophobicContact CG2-CG 4.45Å; I557-Q561 WeakPolarHBondContact O-CB 2.76Å; I557-Q561 WeakPolarHBondContact O-CG 3.42Å; I557-Q561 PolarHBondContact O-N 3.4Å; W558-Q561 PolarHBondContact O-N 3.25Å; I559-Q561 VanDerWaalsContact C-N 3.29Å; I559-Q561 PolarHBondContact O-N 3.22Å; Q561-A632 VanDerWaalsContact NE2-CB 3.26Å
562K75.8Confident69.9Low105 Ų10566.3 Ų66.346%0.45732%0.316SS..Hα-helixtrans-70.5-42.6-177.5-175.1175-177.9177.50112.2T425 W558 I559 H564T425-K562 HydrophobicContact CG2-CD 4.5Å; W558-K562 HydrophobicContact CH2-CD 4.23Å; W558-K562 HydrophobicContact CZ2-CD 3.76Å; W558-K562 WeakPolarHBondContact O-CB 3.43Å; W558-K562 PolarHBondContact O-N 3.23Å; I559-K562 PolarHBondContact O-N 3.45Å; K562-H564 VanDerWaalsContact C-N 3.27Å; K562-H564 PolarHBondContact O-N 3.35Å
563H68.9Low68.2Low37 Ų3771 Ų7117%0.17134%0.342CS..THydrogen-bonded Turntrans-9457177.4-63.3-81.2000110.4F438 I559 T565F438-H563 HydrophobicContact CB-CB 4.49Å; F438-H563 HydrophobicContact CD2-CB 3.32Å; F438-H563 AromaticContact CD2-CG 3.45Å; F438-H563 VanDerWaalsContact CD2-CG 3.45Å; F438-H563 AromaticContact CD2-ND1 3.85Å; F438-H563 HydrophobicContact CE2-CB 3.61Å; F438-H563 AromaticContact CE2-CD2 3.74Å; F438-H563 AromaticContact CE2-CG 3.61Å; F438-H563 HydrophobicContact CG-CB 4.06Å; I559-H563 PolarHBondContact O-CD2 3.1Å; I559-H563 PolarHBondContact O-N 3.25Å; H563-T565 PolarHBondContact O-N 3.17Å
564H59.3Low66.8Low88 Ų8871.5 Ų71.541%0.40734%0.344SS..  trans-59108170.5-136.3-87.9000107.4K562 D566 K639K562-H564 VanDerWaalsContact C-N 3.27Å; K562-H564 PolarHBondContact O-N 3.35Å; H564-D566 PolarHBondContact O-N 2.94Å; H564-K639 PolarHBondContact CD2-NZ 2.92Å; H564-K639 PolarHBondContact NE2-NZ 3.24Å
565T52.2Low65.7Low17 Ų1774.3 Ų74.310%0.10436%0.357CS..  trans-68.6101.4175.6440000107.9F438 H443 H563 F567F438-T565 HydrophobicContact CB-CG2 3.86Å; H443-T565 VanDerWaalsContact CE1-CG2 3.45Å; H443-T565 WeakPolarHBondContact CE1-CG2 3.32Å; H563-T565 PolarHBondContact O-N 3.17Å; T565-F567 PolarHBondContact O-N 3.47Å
566D44.2Very low64.5Low149 Ų14978 Ų7880%0.79738%0.38SS*.  trans-66.223.4165.1-75-20.7000112.4H564H564-D566 PolarHBondContact O-N 2.94Å
567F46.4Very low63Low99 Ų9978.6 Ų78.643%0.43438%0.383SS..  trans-10656.7-179.2-70.8-82000110.5P437 T565 K569 Q570 L574P437-F567 HydrophobicContact CB-CD2 4.02Å; P437-F567 HydrophobicContact CB-CE2 3.69Å; P437-F567 HydrophobicContact CB-CZ 3.97Å; T565-F567 PolarHBondContact O-N 3.47Å; F567-K569 PolarHBondContact O-N 3Å; F567-Q570 PolarHBondContact O-N 3.05Å; F567-L574 WeakPolarHBondContact O-CD1 3.28Å
568D45.2Very low62.4Low116 Ų11681 Ų8162%0.6239%0.391SS*.G310 helixtrans-58.7-2.8165-86.2-29.5000112.8Q570 E571D568-Q570 PolarHBondContact O-N 3.31Å; D568-E571 WeakPolarHBondContact O-CG 3.31Å; D568-E571 PolarHBondContact O-N 2.95Å
569K49.9Very low61.9Low198 Ų19882.1 Ų82.186%0.86140%0.4SS*.G310 helixtrans-66.2-19175.2-62.6-171.5-179.9-177.60114.2F567F567-K569 PolarHBondContact O-N 3Å
570Q50.7Low61.5Low114 Ų11485.4 Ų85.453%0.53342%0.415SS..G310 helixtrans-104.359.1170.1-71.7-174.8-10.600110.5F567 D568 V572 L574F567-Q570 PolarHBondContact O-N 3.05Å; D568-Q570 PolarHBondContact O-N 3.31Å; Q570-V572 VanDerWaalsContact C-N 3.34Å; Q570-V572 PolarHBondContact O-N 3.24Å; Q570-L574 HydrophobicContact CB-CD1 4.28Å; Q570-L574 PolarHBondContact O-N 2.97Å
571E53.6Low61.4Low106 Ų10685.8 Ų85.850%0.49542%0.416SS..Hα-helixtrans-51.9-44-166-74.7-163.9-172.700114.7D568 K575D568-E571 WeakPolarHBondContact O-CG 3.31Å; D568-E571 PolarHBondContact O-N 2.95Å; E571-K575 VanDerWaalsContact O-CB 3.31Å; E571-K575 WeakPolarHBondContact O-CB 3.47Å; E571-K575 WeakPolarHBondContact O-CD 2.91Å; E571-K575 WeakPolarHBondContact O-CG 3.37Å; E571-K575 PolarHBondContact O-N 3.23Å; E571-K575 VanDerWaalsContact O-N 3.14Å; E571-K575 IonicContact OE2-NZ 3.3Å; E571-K575 PolarHBondContact OE2-NZ 3.43Å
572V58.2Low61.2Low111 Ų11184.2 Ų84.267%0.67341%0.411SS*.Hα-helixtrans-72.5-51.1-167.4-175.20000112Q570 L574 K575 V576Q570-V572 VanDerWaalsContact C-N 3.34Å; Q570-V572 PolarHBondContact O-N 3.24Å; V572-L574 PolarHBondContact O-N 3.45Å; V572-K575 PolarHBondContact O-N 2.99Å; V572-V576 WeakPolarHBondContact O-CG2 3.26Å; V572-V576 PolarHBondContact O-N 3.42Å
573N58.5Low61.3Low99 Ų9983.6 Ų83.653%0.52941%0.41SS..Hα-helixtrans-68-39.1-176.2-73.1-25.8000112.1V576 L577N573-V576 PolarHBondContact O-N 3.34Å; N573-L577 VanDerWaalsContact O-CG 3.29Å; N573-L577 WeakPolarHBondContact O-CG 3.38Å; N573-L577 PolarHBondContact O-N 2.69Å
574L61.9Low61.9Low10 Ų1082.4 Ų82.45%0.05241%0.405CS..Hα-helixtrans-66.1-41.8177.3-76.3165000111.4L440 F567 Q570 V572 V576 L577 R578L440-L574 HydrophobicContact CD2-CD2 3.86Å; L440-L574 HydrophobicContact CD2-CG 4.19Å; F567-L574 WeakPolarHBondContact O-CD1 3.28Å; Q570-L574 HydrophobicContact CB-CD1 4.28Å; Q570-L574 PolarHBondContact O-N 2.97Å; V572-L574 PolarHBondContact O-N 3.45Å; L574-V576 VanDerWaalsContact C-N 3.31Å; L574-V576 PolarHBondContact O-N 2.92Å; L574-L577 PolarHBondContact O-N 3.46Å; L574-R578 WeakPolarHBondContact O-CB 3.3Å; L574-R578 VanDerWaalsContact O-CG 3.27Å; L574-R578 WeakPolarHBondContact O-CG 3.38Å; L574-R578 PolarHBondContact O-N 3.37Å
575K64.7Low62.8Low99 Ų9978.9 Ų78.943%0.4339%0.389SS..Hα-helixtrans-57.2-43.8175.3-76.3171.1-168.6174.20111.9E571 V572 R578 Q579E571-K575 VanDerWaalsContact O-CB 3.31Å; E571-K575 WeakPolarHBondContact O-CB 3.47Å; E571-K575 WeakPolarHBondContact O-CD 2.91Å; E571-K575 WeakPolarHBondContact O-CG 3.37Å; E571-K575 PolarHBondContact O-N 3.23Å; E571-K575 VanDerWaalsContact O-N 3.14Å; E571-K575 IonicContact OE2-NZ 3.3Å; E571-K575 PolarHBondContact OE2-NZ 3.43Å; V572-K575 PolarHBondContact O-N 2.99Å; K575-R578 PolarHBondContact O-N 3.07Å; K575-Q579 PolarHBondContact O-N 3.37Å
576V64.3Low64Low90 Ų9080.7 Ų80.755%0.54540%0.397SS..Hα-helixtrans-63.5-44.9176.6176.20000111.5V572 N573 L574 R578 Q579 K580V572-V576 WeakPolarHBondContact O-CG2 3.26Å; V572-V576 PolarHBondContact O-N 3.42Å; N573-V576 PolarHBondContact O-N 3.34Å; L574-V576 VanDerWaalsContact C-N 3.31Å; L574-V576 PolarHBondContact O-N 2.92Å; V576-R578 VanDerWaalsContact C-N 3.35Å; V576-R578 PolarHBondContact O-N 2.91Å; V576-Q579 PolarHBondContact O-N 3.33Å; V576-K580 WeakPolarHBondContact O-CB 3.49Å; V576-K580 PolarHBondContact O-N 2.97Å
577L59.5Low65.8Low14 Ų1476.9 Ų76.97%0.07338%0.377CS..Hα-helixtrans-62.9-40.7177.1-68.5168.1000111.7L440 H443 L447 N573 L574 K580 E581L440-L577 HydrophobicContact CD2-CD1 3.92Å; H443-L577 HydrophobicContact CB-CD1 4.31Å; L447-L577 HydrophobicContact CD1-CB 4.25Å; L447-L577 HydrophobicContact CD1-CD2 3.47Å; L447-L577 VanDerWaalsContact CD1-CD2 3.47Å; L447-L577 HydrophobicContact CD1-CG 4.46Å; N573-L577 VanDerWaalsContact O-CG 3.29Å; N573-L577 WeakPolarHBondContact O-CG 3.38Å; N573-L577 PolarHBondContact O-N 2.69Å; L574-L577 PolarHBondContact O-N 3.46Å; L577-K580 WeakPolarHBondContact O-CB 3.42Å; L577-K580 PolarHBondContact O-N 3.31Å; L577-E581 WeakPolarHBondContact O-CG 3.46Å; L577-E581 PolarHBondContact O-N 3.36Å
578R71.5Confident67.6Low62 Ų6272.1 Ų72.123%0.23436%0.356CS..Hα-helixtrans-66.5-38.7176.2-67.7-57.3-175.3-173.8-5.1112.4L574 K575 V576 K580 E581 V582L574-R578 WeakPolarHBondContact O-CB 3.3Å; L574-R578 VanDerWaalsContact O-CG 3.27Å; L574-R578 WeakPolarHBondContact O-CG 3.38Å; L574-R578 PolarHBondContact O-N 3.37Å; K575-R578 PolarHBondContact O-N 3.07Å; V576-R578 VanDerWaalsContact C-N 3.35Å; V576-R578 PolarHBondContact O-N 2.91Å; R578-K580 VanDerWaalsContact C-N 3.3Å; R578-K580 PolarHBondContact O-N 2.91Å; R578-E581 WeakPolarHBondContact CD-OE2 3.16Å; R578-E581 IonicContact CZ-OE1 3.12Å; R578-E581 IonicContact CZ-OE2 2.72Å; R578-E581 IonicContact NE-OE1 3.71Å; R578-E581 IonicContact NE-OE2 3.7Å; R578-E581 IonicContact NH1-OE1 3.41Å; R578-E581 PolarHBondContact NH1-OE1 3.26Å; R578-E581 VanDerWaalsContact NH1-OE1 3.12Å; R578-E581 IonicContact NH1-OE2 2.74Å; R578-E581 PolarHBondContact NH1-OE2 3.32Å; R578-E581 WeakPolarHBondContact O-CB 3.46Å; R578-E581 PolarHBondContact O-N 2.97Å; R578-V582 WeakPolarHBondContact O-CG2 3.48Å; R578-V582 PolarHBondContact O-N 2.74Å
579Q71Confident69.3Low122 Ų12268 Ų6857%0.5733%0.332SS*.Hα-helixtrans-60.4-44.8171.8-179.7177.5-17.100110.7K575 V576 E581 V582 E583K575-Q579 PolarHBondContact O-N 3.37Å; V576-Q579 PolarHBondContact O-N 3.33Å; Q579-E581 VanDerWaalsContact C-N 3.33Å; Q579-E581 PolarHBondContact O-N 3.08Å; Q579-V582 PolarHBondContact O-N 2.93Å; Q579-V582 VanDerWaalsContact O-N 3.16Å; Q579-E583 PolarHBondContact NE2-OE1 3.03Å; Q579-E583 WeakPolarHBondContact O-CG 3.35Å; Q579-E583 PolarHBondContact O-N 3.4Å
580K77.3Confident70.9Confident71 Ų7162 Ų6231%0.30931%0.307SS..Hα-helixtrans-62.2-38.3177.2-172.266.4178-169.70112.6L447 E451 V576 L577 R578 V582 E583 L584L447-K580 HydrophobicContact CD1-CB 4.38Å; L447-K580 HydrophobicContact CD1-CG 4.25Å; E451-K580 WeakPolarHBondContact OE1-CE 3.45Å; E451-K580 IonicContact OE1-NZ 3.13Å; E451-K580 PolarHBondContact OE1-NZ 3.37Å; V576-K580 WeakPolarHBondContact O-CB 3.49Å; V576-K580 PolarHBondContact O-N 2.97Å; L577-K580 WeakPolarHBondContact O-CB 3.42Å; L577-K580 PolarHBondContact O-N 3.31Å; R578-K580 VanDerWaalsContact C-N 3.3Å; R578-K580 PolarHBondContact O-N 2.91Å; K580-V582 VanDerWaalsContact C-N 3.32Å; K580-V582 PolarHBondContact O-N 3.17Å; K580-E583 PolarHBondContact O-N 3.25Å; K580-L584 HydrophobicContact CG-CD1 4.24Å; K580-L584 WeakPolarHBondContact O-CB 3.41Å; K580-L584 VanDerWaalsContact O-CG 3.28Å; K580-L584 WeakPolarHBondContact O-CG 3.46Å; K580-L584 PolarHBondContact O-N 2.84Å
581E78.8Confident72.6Confident22 Ų2257.1 Ų57.110%0.10328%0.284CS..Hα-helixtrans-56.4-46.6172.6-73.6169.7-160.500111.4L447 L560 L577 R578 Q579 L584 L585L447-E581 HydrophobicContact CD2-CG 3.6Å; L560-E581 HydrophobicContact CD1-CG 4.16Å; L577-E581 WeakPolarHBondContact O-CG 3.46Å; L577-E581 PolarHBondContact O-N 3.36Å; R578-E581 WeakPolarHBondContact CD-OE2 3.16Å; R578-E581 IonicContact CZ-OE1 3.12Å; R578-E581 IonicContact CZ-OE2 2.72Å; R578-E581 IonicContact NE-OE1 3.71Å; R578-E581 IonicContact NE-OE2 3.7Å; R578-E581 IonicContact NH1-OE1 3.41Å; R578-E581 PolarHBondContact NH1-OE1 3.26Å; R578-E581 VanDerWaalsContact NH1-OE1 3.12Å; R578-E581 IonicContact NH1-OE2 2.74Å; R578-E581 PolarHBondContact NH1-OE2 3.32Å; R578-E581 WeakPolarHBondContact O-CB 3.46Å; R578-E581 PolarHBondContact O-N 2.97Å; Q579-E581 VanDerWaalsContact C-N 3.33Å; Q579-E581 PolarHBondContact O-N 3.08Å; E581-L584 PolarHBondContact O-N 3.37Å; E581-L585 WeakPolarHBondContact O-CB 3.37Å; E581-L585 VanDerWaalsContact O-CG 3.27Å; E581-L585 WeakPolarHBondContact O-CG 3.49Å; E581-L585 PolarHBondContact O-N 2.84Å
582V73Confident74Confident39 Ų3952.1 Ų52.124%0.23626%0.26CS..Hα-helixtrans-64.3-44179.8177.30000111.1R578 Q579 K580 L584 L585 I586 I640R578-V582 WeakPolarHBondContact O-CG2 3.48Å; R578-V582 PolarHBondContact O-N 2.74Å; Q579-V582 PolarHBondContact O-N 2.93Å; Q579-V582 VanDerWaalsContact O-N 3.16Å; K580-V582 VanDerWaalsContact C-N 3.32Å; K580-V582 PolarHBondContact O-N 3.17Å; V582-L584 VanDerWaalsContact C-N 3.33Å; V582-L584 PolarHBondContact O-N 3.35Å; V582-L585 PolarHBondContact O-N 3.42Å; V582-I586 HydrophobicContact CG1-CD1 3.96Å; V582-I586 VanDerWaalsContact O-CG1 3.31Å; V582-I586 WeakPolarHBondContact O-CG1 3.32Å; V582-I586 PolarHBondContact O-N 3.48Å; V582-I640 HydrophobicContact CG1-CD1 4.14Å; V582-I640 HydrophobicContact CG2-CD1 3.61Å
583E78.9Confident75.2Confident93 Ų9347 Ų4744%0.43523%0.229SC..Hα-helixtrans-59.1-44.2176-70.7172.5-170.600111.9Q579 K580 I586 L587Q579-E583 PolarHBondContact NE2-OE1 3.03Å; Q579-E583 WeakPolarHBondContact O-CG 3.35Å; Q579-E583 PolarHBondContact O-N 3.4Å; K580-E583 PolarHBondContact O-N 3.25Å; E583-I586 PolarHBondContact O-N 2.97Å; E583-L587 WeakPolarHBondContact O-CB 3.42Å; E583-L587 PolarHBondContact O-N 3.25Å
584L80.7Confident76.5Confident11 Ų1144.2 Ų44.26%0.05822%0.215CC..Hα-helixtrans-65.9-41.9177-68.9171.7000111.7L447 M450 E451 L454 K580 E581 V582 I586 L587 I588L447-L584 HydrophobicContact CB-CD1 4.47Å; L447-L584 HydrophobicContact CD2-CD1 4.12Å; M450-L584 HydrophobicContact CB-CD1 4.21Å; M450-L584 HydrophobicContact CG-CB 4.29Å; M450-L584 HydrophobicContact CG-CD1 4.17Å; E451-L584 HydrophobicContact CG-CD1 4.17Å; E451-L584 HydrophobicContact CG-CD2 3.76Å; L454-L584 HydrophobicContact CD2-CD2 3.92Å; K580-L584 HydrophobicContact CG-CD1 4.24Å; K580-L584 WeakPolarHBondContact O-CB 3.41Å; K580-L584 VanDerWaalsContact O-CG 3.28Å; K580-L584 WeakPolarHBondContact O-CG 3.46Å; K580-L584 PolarHBondContact O-N 2.84Å; E581-L584 PolarHBondContact O-N 3.37Å; V582-L584 VanDerWaalsContact C-N 3.33Å; V582-L584 PolarHBondContact O-N 3.35Å; L584-I586 PolarHBondContact O-N 3.19Å; L584-L587 PolarHBondContact O-N 3.3Å; L584-I588 WeakPolarHBondContact O-CD1 3.21Å; L584-I588 WeakPolarHBondContact O-CG1 3.28Å; L584-I588 PolarHBondContact O-N 3.04Å
585L78.3Confident77.7Confident14 Ų1443.8 Ų43.87%0.07321%0.212CC..Hα-helixtrans-61.1-43.1176.1-73.7171000112.3I557 E581 V582 L587 I588 F589 L633I557-L585 HydrophobicContact CD1-CD2 3.47Å; I557-L585 VanDerWaalsContact CD1-CD2 3.47Å; I557-L585 HydrophobicContact CG1-CD2 3.86Å; E581-L585 WeakPolarHBondContact O-CB 3.37Å; E581-L585 VanDerWaalsContact O-CG 3.27Å; E581-L585 WeakPolarHBondContact O-CG 3.49Å; E581-L585 PolarHBondContact O-N 2.84Å; V582-L585 PolarHBondContact O-N 3.42Å; L585-L587 VanDerWaalsContact C-N 3.3Å; L585-L587 PolarHBondContact O-N 3.48Å; L585-I588 PolarHBondContact O-N 3.26Å; L585-F589 WeakPolarHBondContact O-CB 3.14Å; L585-F589 PolarHBondContact O-N 3.39Å; L585-L633 HydrophobicContact CB-CD1 3.9Å
586I76.9Confident78.5Confident55 Ų5539.2 Ų39.228%0.28219%0.193SC..Hα-helixtrans-61.4-42.8175-68.1166.4000110.3V582 E583 L584 F589 K590V582-I586 HydrophobicContact CG1-CD1 3.96Å; V582-I586 VanDerWaalsContact O-CG1 3.31Å; V582-I586 WeakPolarHBondContact O-CG1 3.32Å; V582-I586 PolarHBondContact O-N 3.48Å; E583-I586 PolarHBondContact O-N 2.97Å; L584-I586 PolarHBondContact O-N 3.19Å; I586-F589 PolarHBondContact O-N 2.98Å; I586-K590 HydrophobicContact CG2-CD 4.42Å; I586-K590 WeakPolarHBondContact O-CG 3.48Å; I586-K590 PolarHBondContact O-N 2.96Å
587L83.2Confident79.4Confident69 Ų6936.8 Ų36.836%0.36118%0.177SC..Hα-helixtrans-68.8-37.2179.9-174.964.7000112L454 E583 L584 L585 N591L454-L587 HydrophobicContact CD1-CG 4.21Å; L454-L587 HydrophobicContact CD2-CB 3.83Å; L454-L587 HydrophobicContact CD2-CD2 3.46Å; L454-L587 VanDerWaalsContact CD2-CD2 3.46Å; L454-L587 HydrophobicContact CD2-CG 3.62Å; L454-L587 HydrophobicContact CG-CD2 3.91Å; L454-L587 HydrophobicContact CG-CG 4.02Å; E583-L587 WeakPolarHBondContact O-CB 3.42Å; E583-L587 PolarHBondContact O-N 3.25Å; L584-L587 PolarHBondContact O-N 3.3Å; L585-L587 VanDerWaalsContact C-N 3.3Å; L585-L587 PolarHBondContact O-N 3.48Å; L587-N591 WeakPolarHBondContact CD1-ND2 3.28Å; L587-N591 WeakPolarHBondContact CG-ND2 3.38Å; L587-N591 WeakPolarHBondContact O-CB 3.43Å; L587-N591 PolarHBondContact O-N 3.28Å; L587-N591 PolarHBondContact O-ND2 3.27Å
588I84.1Confident80.5Confident0 Ų036.1 Ų36.10%017%0.173CC..Hα-helixtrans-62.7-44172-66159.5000110.1M450 L454 L550 C553 L584 L585 G592 I629M450-I588 HydrophobicContact CE-CD1 3.92Å; M450-I588 HydrophobicContact CG-CD1 3.96Å; M450-I588 HydrophobicContact SD-CD1 3.44Å; M450-I588 WeakPolarHBondContact SD-CD1 3.46Å; M450-I588 HydrophobicContact SD-CG1 4.46Å; L454-I588 HydrophobicContact CD1-CB 4.48Å; L454-I588 HydrophobicContact CD1-CG1 3.85Å; L454-I588 HydrophobicContact CD2-CG1 3.87Å; L454-I588 HydrophobicContact CG-CG1 4.4Å; L550-I588 HydrophobicContact CD2-CG2 4.39Å; C553-I588 HydrophobicContact CB-CD1 4.33Å; L584-I588 WeakPolarHBondContact O-CD1 3.21Å; L584-I588 WeakPolarHBondContact O-CG1 3.28Å; L584-I588 PolarHBondContact O-N 3.04Å; L585-I588 PolarHBondContact O-N 3.26Å; I588-G592 WeakPolarHBondContact O-CA 3.44Å; I588-G592 PolarHBondContact O-N 2.85Å; I588-I629 HydrophobicContact CG2-CD1 4.32Å; I588-I629 HydrophobicContact CG2-CG2 3.81Å
589F80.8Confident80.9Confident29 Ų2933.6 Ų33.613%0.12716%0.164CC..Hα-helixtrans-60.4-50.3177.9179-103.4000111.5L585 I586 G592 L593 F626 V630 L633 V667L585-F589 WeakPolarHBondContact O-CB 3.14Å; L585-F589 PolarHBondContact O-N 3.39Å; I586-F589 PolarHBondContact O-N 2.98Å; F589-G592 PolarHBondContact O-N 3.24Å; F589-L593 HydrophobicContact CD1-CD1 4.16Å; F589-L593 HydrophobicContact CE1-CD1 3.56Å; F589-L593 HydrophobicContact CE1-CG 4.37Å; F589-L593 HydrophobicContact CE2-CD1 4.23Å; F589-L593 HydrophobicContact CE2-CG 4.33Å; F589-L593 HydrophobicContact CZ-CD1 3.61Å; F589-L593 HydrophobicContact CZ-CG 4.2Å; F589-L593 WeakPolarHBondContact O-CB 3.35Å; F589-L593 WeakPolarHBondContact O-CG 3.41Å; F589-L593 PolarHBondContact O-N 3.28Å; F589-F626 HydrophobicContact CD2-CE1 4.19Å; F589-F626 AromaticContact CD2-CZ 3.79Å; F589-F626 HydrophobicContact CD2-CZ 3.79Å; F589-F626 HydrophobicContact CE2-CE1 4.27Å; F589-F626 HydrophobicContact CE2-CZ 4.26Å; F589-V630 HydrophobicContact CD2-CG2 4.02Å; F589-V630 HydrophobicContact CE2-CG2 4.06Å; F589-L633 HydrophobicContact CB-CD2 3.96Å; F589-L633 HydrophobicContact CD2-CD2 4.16Å; F589-L633 HydrophobicContact CG-CD2 4.02Å; F589-V667 HydrophobicContact CE1-CG2 3.85Å; F589-V667 HydrophobicContact CZ-CG2 4.14Å
590K82.9Confident80.9Confident73 Ų7329.2 Ų29.232%0.31715%0.146SC..Hα-helixtrans-61.6-47.8179.7-71.4-174.9175.9-177.30112.5I586 N594 F666I586-K590 HydrophobicContact CG2-CD 4.42Å; I586-K590 WeakPolarHBondContact O-CG 3.48Å; I586-K590 PolarHBondContact O-N 2.96Å; K590-N594 PolarHBondContact O-N 3.48Å; K590-N594 PolarHBondContact O-ND2 3.21Å; K590-F666 HydrophobicContact CB-CE1 3.87Å; K590-F666 HydrophobicContact CB-CZ 3.99Å; K590-F666 HydrophobicContact CG-CD1 4.01Å; K590-F666 HydrophobicContact CG-CE1 3.77Å; K590-F666 HydrophobicContact CG-CZ 4.24Å
591N86.1Confident79.7Confident11 Ų1129.3 Ų29.36%0.05915%0.147CC..Hα-helixtrans-72.3-34.3-179.8-72.6-77.5000112.5L454 L457 L587 N594 S595L454-N591 HydrophobicContact CD1-CB 4.41Å; L457-N591 HydrophobicContact CD2-CB 3.73Å; L457-N591 HydrophobicContact CG-CB 4.02Å; L587-N591 WeakPolarHBondContact CD1-ND2 3.28Å; L587-N591 WeakPolarHBondContact CG-ND2 3.38Å; L587-N591 WeakPolarHBondContact O-CB 3.43Å; L587-N591 PolarHBondContact O-N 3.28Å; L587-N591 PolarHBondContact O-ND2 3.27Å; N591-N594 CarbonylContact O-C 3.55Å; N591-N594 WeakPolarHBondContact O-CB 3.42Å; N591-N594 PolarHBondContact O-N 3.37Å; N591-S595 WeakPolarHBondContact O-CB 3.46Å; N591-S595 PolarHBondContact O-N 3.11Å
592G84Confident78.1Confident0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-67.3-39.9176.500000111.9I588 F589 N594 S595 L596 F622I588-G592 WeakPolarHBondContact O-CA 3.44Å; I588-G592 PolarHBondContact O-N 2.85Å; F589-G592 PolarHBondContact O-N 3.24Å; G592-N594 VanDerWaalsContact C-N 3.29Å; G592-N594 PolarHBondContact O-N 3.45Å; G592-S595 WeakPolarHBondContact CA-OG 3.29Å; G592-S595 PolarHBondContact O-N 3.21Å; G592-S595 VanDerWaalsContact O-N 3.11Å; G592-S595 PolarHBondContact O-OG 2.74Å; G592-L596 PolarHBondContact O-N 3.47Å; G592-F622 WeakPolarHBondContact O-CZ 3.43Å
593L82.6Confident76.4Confident3 Ų339.8 Ų39.82%0.01620%0.2CC..Hα-helixtrans-57.8-42.6169.1-76.2-175.7000112F589 S595 L596 F626 F666 V667 R670 L680F589-L593 HydrophobicContact CD1-CD1 4.16Å; F589-L593 HydrophobicContact CE1-CD1 3.56Å; F589-L593 HydrophobicContact CE1-CG 4.37Å; F589-L593 HydrophobicContact CE2-CD1 4.23Å; F589-L593 HydrophobicContact CE2-CG 4.33Å; F589-L593 HydrophobicContact CZ-CD1 3.61Å; F589-L593 HydrophobicContact CZ-CG 4.2Å; F589-L593 WeakPolarHBondContact O-CB 3.35Å; F589-L593 WeakPolarHBondContact O-CG 3.41Å; F589-L593 PolarHBondContact O-N 3.28Å; L593-S595 VanDerWaalsContact C-N 3.31Å; L593-S595 PolarHBondContact O-N 3.38Å; L593-L596 HydrophobicContact CD2-CD1 4.48Å; L593-L596 WeakPolarHBondContact O-CB 3.16Å; L593-L596 PolarHBondContact O-N 2.92Å; L593-F626 HydrophobicContact CD2-CE1 4.08Å; L593-F626 HydrophobicContact CD2-CZ 4.23Å; L593-F626 HydrophobicContact CG-CZ 4.19Å; L593-F666 HydrophobicContact CB-CE1 4.47Å; L593-F666 HydrophobicContact CD1-CD1 4.5Å; L593-F666 HydrophobicContact CD1-CE1 4.06Å; L593-V667 HydrophobicContact CD1-CG2 4.05Å; L593-R670 HydrophobicContact CB-CG 4.11Å; L593-R670 VanDerWaalsContact O-CZ 3.27Å; L593-R670 PolarHBondContact O-NE 3.28Å; L593-R670 PolarHBondContact O-NH2 3.1Å; L593-L680 HydrophobicContact CD2-CB 4.3Å; L593-L680 HydrophobicContact CD2-CD1 3.49Å; L593-L680 VanDerWaalsContact CD2-CD1 3.49Å
594N85.8Confident74.2Confident42 Ų4241.9 Ų41.923%0.22522%0.218CC..Hα-helixtrans-66.8-31.3176.1-69.8-18.7000113.2V461 K590 N591 G592 L596 D597 F666 R670V461-N594 HydrophobicContact CG1-CB 3.31Å; K590-N594 PolarHBondContact O-N 3.48Å; K590-N594 PolarHBondContact O-ND2 3.21Å; N591-N594 CarbonylContact O-C 3.55Å; N591-N594 WeakPolarHBondContact O-CB 3.42Å; N591-N594 PolarHBondContact O-N 3.37Å; G592-N594 VanDerWaalsContact C-N 3.29Å; G592-N594 PolarHBondContact O-N 3.45Å; N594-L596 PolarHBondContact O-N 3.37Å; N594-D597 PolarHBondContact O-N 3.22Å; N594-F666 WeakPolarHBondContact OD1-CZ 3.46Å; N594-R670 PolarHBondContact O-NH2 3.36Å; N594-R670 WeakPolarHBondContact OD1-CD 3.43Å; N594-R670 PolarHBondContact OD1-NE 3Å
595S87.1Confident71.5Confident0 Ų045.6 Ų45.60%025%0.245CC..Hα-helixtrans-71.1-13.717973.50000114.2N591 G592 L593 D597 A598 F622N591-S595 WeakPolarHBondContact O-CB 3.46Å; N591-S595 PolarHBondContact O-N 3.11Å; G592-S595 WeakPolarHBondContact CA-OG 3.29Å; G592-S595 PolarHBondContact O-N 3.21Å; G592-S595 VanDerWaalsContact O-N 3.11Å; G592-S595 PolarHBondContact O-OG 2.74Å; L593-S595 VanDerWaalsContact C-N 3.31Å; L593-S595 PolarHBondContact O-N 3.38Å; S595-D597 PolarHBondContact O-N 3.36Å; S595-D597 VanDerWaalsContact O-N 3.13Å; S595-A598 VanDerWaalsContact O-CB 3.25Å; S595-A598 WeakPolarHBondContact O-CB 3.43Å; S595-A598 PolarHBondContact O-N 3.02Å; S595-F622 VanDerWaalsContact OG-CE2 3.25Å; S595-F622 WeakPolarHBondContact OG-CE2 3.45Å
596L82Confident69.1Low4 Ų454.1 Ų54.12%0.02128%0.282CS..THydrogen-bonded Turntrans-54.3-29.3172.9-84.8173.2000113.8G592 L593 N594 A598 F599 S600 F622 A677 L680G592-L596 PolarHBondContact O-N 3.47Å; L593-L596 HydrophobicContact CD2-CD1 4.48Å; L593-L596 WeakPolarHBondContact O-CB 3.16Å; L593-L596 PolarHBondContact O-N 2.92Å; N594-L596 PolarHBondContact O-N 3.37Å; L596-A598 PolarHBondContact O-N 3.2Å; L596-F599 PolarHBondContact O-N 3.48Å; L596-S600 PolarHBondContact O-N 3.47Å; L596-S600 VanDerWaalsContact O-N 3.09Å; L596-S600 PolarHBondContact O-OG 3.44Å; L596-F622 HydrophobicContact CD2-CD1 3.96Å; L596-F622 HydrophobicContact CD2-CE1 3.27Å; L596-F622 HydrophobicContact CD2-CZ 3.9Å; L596-F622 HydrophobicContact CG-CE1 3.85Å; L596-F622 HydrophobicContact CG-CZ 3.99Å; L596-A677 HydrophobicContact CD1-CB 3.65Å; L596-L680 HydrophobicContact CD1-CD1 3.41Å; L596-L680 VanDerWaalsContact CD1-CD1 3.41Å; L596-L680 HydrophobicContact CD1-CG 4.34Å; L596-L680 HydrophobicContact CD2-CD1 4.16Å; L596-L680 HydrophobicContact CG-CD1 3.96Å
597D83.4Confident66.5Low39 Ų3961.1 Ų61.121%0.20931%0.314CS..Hα-helixtrans-62.8-26.9-179.7-67.5-14.5000112F469 N594 S595 F599 R670 N674F469-D597 HydrophobicContact CE2-CB 3.82Å; F469-D597 HydrophobicContact CZ-CB 3.82Å; F469-D597 WeakPolarHBondContact CZ-O 3.36Å; N594-D597 PolarHBondContact O-N 3.22Å; S595-D597 PolarHBondContact O-N 3.36Å; S595-D597 VanDerWaalsContact O-N 3.13Å; D597-F599 PolarHBondContact O-N 3.13Å; D597-R670 VanDerWaalsContact CG-NH1 3.31Å; D597-R670 IonicContact OD1-CZ 2.68Å; D597-R670 VanDerWaalsContact OD1-CZ 3.31Å; D597-R670 IonicContact OD1-NH1 3.61Å; D597-R670 PolarHBondContact OD1-NH1 3.04Å; D597-R670 IonicContact OD1-NH2 2.78Å; D597-R670 PolarHBondContact OD1-NH2 3.31Å; D597-R670 IonicContact OD2-CZ 3.86Å; D597-R670 IonicContact OD2-NH1 3.76Å; D597-R670 PolarHBondContact OD2-NH1 3.38Å; D597-R670 IonicContact OD2-NH2 3.9Å; D597-R670 PolarHBondContact OD2-NH2 3.48Å; D597-R670 VanDerWaalsContact OD2-NH2 3.13Å; D597-N674 PolarHBondContact OD1-ND2 3Å
598A82.6Confident63.9Low0 Ų063.5 Ų63.50%033%0.331CS..Hα-helixtrans-62-28.5174.200000112.4L465 Q543 I546 S595 L596L465-A598 HydrophobicContact CD1-CB 4.09Å; L465-A598 HydrophobicContact CD2-CB 3.73Å; Q543-A598 HydrophobicContact CG-CB 4.28Å; Q543-A598 PolarHBondContact NE2-O 3.21Å; I546-A598 HydrophobicContact CD1-CB 3.56Å; S595-A598 VanDerWaalsContact O-CB 3.25Å; S595-A598 WeakPolarHBondContact O-CB 3.43Å; S595-A598 PolarHBondContact O-N 3.02Å; L596-A598 PolarHBondContact O-N 3.2Å
599F80.6Confident61.1Low9 Ų972 Ų724%0.03937%0.368CS..Hα-helixtrans-99.1-31.3-175-59-85.9000112.5Q543 I546 L596 D597 F601 E618 E619 F622Q543-F599 HydrophobicContact CB-CD1 4.48Å; Q543-F599 HydrophobicContact CB-CE1 3.81Å; Q543-F599 HydrophobicContact CB-CZ 4.16Å; Q543-F599 HydrophobicContact CG-CD1 3.96Å; Q543-F599 HydrophobicContact CG-CE1 3.76Å; Q543-F599 HydrophobicContact CG-CZ 4.21Å; I546-F599 HydrophobicContact CB-CE2 4.42Å; I546-F599 HydrophobicContact CB-CZ 4.34Å; I546-F599 HydrophobicContact CD1-CE2 4.23Å; I546-F599 HydrophobicContact CG2-CE2 3.96Å; I546-F599 HydrophobicContact CG2-CZ 4.15Å; L596-F599 PolarHBondContact O-N 3.48Å; D597-F599 PolarHBondContact O-N 3.13Å; F599-F601 PolarHBondContact O-N 3.47Å; F599-E618 HydrophobicContact CD1-CB 4.42Å; F599-E618 HydrophobicContact CE1-CB 3.99Å; F599-E618 WeakPolarHBondContact CE1-O 3.23Å; F599-E619 HydrophobicContact CB-CB 4.3Å; F599-E619 HydrophobicContact CB-CG 4.19Å; F599-E619 HydrophobicContact CD1-CB 4.02Å; F599-E619 HydrophobicContact CG-CB 4.48Å; F599-F622 HydrophobicContact CD1-CB 4.38Å; F599-F622 HydrophobicContact CD2-CB 4.43Å; F599-F622 HydrophobicContact CD2-CD1 4.44Å; F599-F622 AromaticContact CD2-CD2 3.98Å; F599-F622 HydrophobicContact CD2-CD2 3.98Å; F599-F622 HydrophobicContact CD2-CE2 4.39Å; F599-F622 HydrophobicContact CD2-CG 4Å; F599-F622 HydrophobicContact CE1-CB 3.93Å; F599-F622 HydrophobicContact CE1-CG 4.46Å; F599-F622 HydrophobicContact CE2-CB 4Å; F599-F622 HydrophobicContact CE2-CD1 4.47Å; F599-F622 AromaticContact CE2-CD2 3.26Å; F599-F622 HydrophobicContact CE2-CD2 3.26Å; F599-F622 AromaticContact CE2-CE2 3.83Å; F599-F622 HydrophobicContact CE2-CE2 3.83Å; F599-F622 AromaticContact CE2-CG 3.64Å; F599-F622 HydrophobicContact CE2-CG 3.64Å; F599-F622 HydrophobicContact CZ-CB 3.73Å; F599-F622 AromaticContact CZ-CD2 3.66Å; F599-F622 HydrophobicContact CZ-CD2 3.66Å; F599-F622 AromaticContact CZ-CG 3.9Å; F599-F622 HydrophobicContact CZ-CG 3.9Å
600S69.8Low58.6Low29 Ų2977.4 Ų77.420%0.20341%0.406CS..Hα-helixtrans-75.5-6.3177.9-52.80000114.1L596 K602 T603 N674L596-S600 PolarHBondContact O-N 3.47Å; L596-S600 VanDerWaalsContact O-N 3.09Å; L596-S600 PolarHBondContact O-OG 3.44Å; S600-K602 VanDerWaalsContact C-N 3.28Å; S600-K602 PolarHBondContact O-N 3.28Å; S600-T603 PolarHBondContact O-OG1 2.97Å; S600-N674 WeakPolarHBondContact CB-ND2 3.07Å; S600-N674 PolarHBondContact OG-ND2 3.23Å; S600-N674 PolarHBondContact OG-OD1 3.48Å
601F51.4Low56.2Low74 Ų7478.2 Ų78.233%0.32542%0.421SS..G310 helixtrans-63.3-24-172.7-169.7-104.4000115.1F469 A472 I539 F599 T603F469-F601 AromaticContact CD1-CD2 3.42Å; F469-F601 HydrophobicContact CD1-CD2 3.42Å; F469-F601 VanDerWaalsContact CD1-CD2 3.42Å; F469-F601 AromaticContact CD1-CE2 3.35Å; F469-F601 HydrophobicContact CD1-CE2 3.35Å; F469-F601 HydrophobicContact CD1-CG 4.42Å; F469-F601 HydrophobicContact CD1-CZ 4.32Å; F469-F601 HydrophobicContact CE1-CB 4.25Å; F469-F601 AromaticContact CE1-CD2 3.18Å; F469-F601 HydrophobicContact CE1-CD2 3.18Å; F469-F601 AromaticContact CE1-CE2 3.67Å; F469-F601 HydrophobicContact CE1-CE2 3.67Å; F469-F601 AromaticContact CE1-CG 3.89Å; F469-F601 HydrophobicContact CE1-CG 3.89Å; F469-F601 HydrophobicContact CZ-CD2 4.31Å; A472-F601 HydrophobicContact CB-CE2 4.48Å; A472-F601 HydrophobicContact CB-CZ 3.79Å; I539-F601 HydrophobicContact CD1-CD1 3.45Å; I539-F601 VanDerWaalsContact CD1-CD1 3.45Å; I539-F601 HydrophobicContact CD1-CE1 3.31Å; I539-F601 HydrophobicContact CD1-CG 4.34Å; I539-F601 HydrophobicContact CD1-CZ 4.11Å; F599-F601 PolarHBondContact O-N 3.47Å; F601-T603 PolarHBondContact O-N 3.41Å
602K46.7Very low53.8Low156 Ų15685.5 Ų85.568%0.67845%0.454SS*.G310 helixtrans-83.5-0.7-174.4-77.8-170.9176.7178.70115.9S600 V604S600-K602 VanDerWaalsContact C-N 3.28Å; S600-K602 PolarHBondContact O-N 3.28Å; K602-V604 VanDerWaalsContact C-N 3.32Å; K602-V604 PolarHBondContact O-N 3.1Å
603T37.4Very low51.8Low125 Ų12590.4 Ų90.477%0.76750%0.495SS*.G310 helixtrans-85.311.2-176.258.80000115.4S600 F601S600-T603 PolarHBondContact O-OG1 2.97Å; F601-T603 PolarHBondContact O-N 3.41Å
604V31.2Very low50.1Low136 Ų136101 Ų10182%0.82454%0.535SS*.G310 helixtrans-118.6-5.2-174.2-1690000115.1K602K602-V604 VanDerWaalsContact C-N 3.32Å; K602-V604 PolarHBondContact O-N 3.1Å
605S25.5Very low48.9Very low90 Ų90104 Ų10463%0.62955%0.55SS**SBendtrans-133.4139.617456.60000113
606F26.5Very low48.1Very low192 Ų192105.6 Ų105.684%0.84256%0.561SS**  trans89.298.2-171.2-66.9-85.8000116.2V608F606-V608 VanDerWaalsContact C-N 3.32Å; F606-V608 PolarHBondContact O-N 3.14Å
607Q23.4Very low47.8Very low202 Ų202112.4 Ų112.494%0.94459%0.587SS**  trans-53.995.2153.7-71.2-164.5-15.200109.9
608V28.1Very low47.4Very low120 Ų120113.5 Ų113.573%0.72759%0.59SS**  trans-127.8133.5156.4-176.90000106.5F606F606-V608 VanDerWaalsContact C-N 3.32Å; F606-V608 PolarHBondContact O-N 3.14Å
609K25Very low47.1Very low178 Ų178115.7 Ų115.777%0.77460%0.601SS**  trans-36.9148.6-178.8-67.8170.8175.7176.90113.1S611K609-S611 PolarHBondContact O-N 2.89Å; K609-S611 PolarHBondContact O-OG 3.32Å
610P29.1Very low47Very low142 Ų142121.7 Ų121.792%0.92263%0.627SS**SBendtrans-69.623.1-16829.4-35.8000116.1Q612P610-Q612 PolarHBondContact O-N 3.15Å
611S32.1Very low47.4Very low91 Ų91122.1 Ų122.164%0.63663%0.627SS**SBendtrans-81.6104.2175.1470000110.8K609K609-S611 PolarHBondContact O-N 2.89Å; K609-S611 PolarHBondContact O-OG 3.32Å
612Q36.3Very low48.9Very low163 Ų163118.6 Ų118.676%0.76261%0.611SS**  trans61.491.2167-57.4179.5-3.900114.9P610 R614P610-Q612 PolarHBondContact O-N 3.15Å; Q612-R614 VanDerWaalsContact C-N 3.27Å; Q612-R614 PolarHBondContact O-N 3.05Å
613A41.5Very low50.4Low104 Ų104113.4 Ų113.486%0.8659%0.591SS**  trans-58.194.2158.800000108.5I615A613-I615 PolarHBondContact O-N 3.4Å
614R47.4Very low52.3Low224 Ų224111.2 Ų111.285%0.84557%0.572SS**  trans-66.7106173.2-89.2-174.7-178.1173.41.7107.2Q612 S616Q612-R614 VanDerWaalsContact C-N 3.27Å; Q612-R614 PolarHBondContact O-N 3.05Å; R614-S616 PolarHBondContact O-N 3.43Å
615I60.9Low54.5Low107 Ų107105.7 Ų105.755%0.54954%0.537SS..  trans-51.5126165.1-60.5172.9000106.8A613 E619 K620A613-I615 PolarHBondContact O-N 3.4Å; I615-E619 HydrophobicContact CG2-CB 3.99Å; I615-E619 HydrophobicContact CG2-CG 3.95Å; I615-K620 HydrophobicContact CG2-CB 4.09Å
616S68.9Low57Low33 Ų33101.4 Ų101.423%0.23151%0.507CS..  trans-64.5154.717864.40000110.2R614 E618 E619 K620R614-S616 PolarHBondContact O-N 3.43Å; S616-E618 PolarHBondContact O-N 2.93Å; S616-E619 PolarHBondContact O-N 3.12Å; S616-E619 WeakPolarHBondContact OG-CB 3.46Å; S616-E619 PolarHBondContact OG-N 3.13Å; S616-E619 VanDerWaalsContact OG-N 3.14Å; S616-K620 PolarHBondContact O-N 3.5Å
617R76.4Confident59.2Low147 Ų14793.4 Ų93.456%0.55548%0.475SS*.Hα-helixtrans-59.5-40.7177.7-178.2179.3177.6177.6-0.5110.3K620 D621R617-K620 PolarHBondContact O-N 2.87Å; R617-D621 VanDerWaalsContact O-CG 3.29Å; R617-D621 PolarHBondContact O-N 3.37Å
618E74.8Confident61.7Low61 Ų6187.2 Ų87.229%0.28545%0.448SS..Hα-helixtrans-64.5-39.9179.9-61.474.8-164.800111.9Q543 N547 F599 S616 F622Q543-E618 HydrophobicContact CB-CB 4.41Å; N547-E618 PolarHBondContact ND2-O 3.03Å; F599-E618 HydrophobicContact CD1-CB 4.42Å; F599-E618 HydrophobicContact CE1-CB 3.99Å; F599-E618 WeakPolarHBondContact CE1-O 3.23Å; S616-E618 PolarHBondContact O-N 2.93Å; E618-F622 WeakPolarHBondContact O-CB 3.35Å; E618-F622 PolarHBondContact O-N 3.24Å
619E76.2Confident63.8Low46 Ų4681.7 Ų81.722%0.21541%0.414CS..Hα-helixtrans-70.2-39.5175.6-178.2-178-171.600112F599 I615 S616 F622 L623F599-E619 HydrophobicContact CB-CB 4.3Å; F599-E619 HydrophobicContact CB-CG 4.19Å; F599-E619 HydrophobicContact CD1-CB 4.02Å; F599-E619 HydrophobicContact CG-CB 4.48Å; I615-E619 HydrophobicContact CG2-CB 3.99Å; I615-E619 HydrophobicContact CG2-CG 3.95Å; S616-E619 PolarHBondContact O-N 3.12Å; S616-E619 WeakPolarHBondContact OG-CB 3.46Å; S616-E619 PolarHBondContact OG-N 3.13Å; S616-E619 VanDerWaalsContact OG-N 3.14Å; E619-F622 WeakPolarHBondContact O-CB 3.45Å; E619-F622 PolarHBondContact O-N 3.42Å; E619-L623 HydrophobicContact CG-CD1 4.29Å; E619-L623 WeakPolarHBondContact O-CB 3.39Å; E619-L623 VanDerWaalsContact O-CG 3.28Å; E619-L623 WeakPolarHBondContact O-CG 3.48Å; E619-L623 PolarHBondContact O-N 3Å
620K77.5Confident66.1Low136 Ų13673.3 Ų73.359%0.59138%0.378SS*.Hα-helixtrans-61.2-47.1174.6-175.9-175.3174.4-174.50110.9I615 S616 R617 F622 L623 E624I615-K620 HydrophobicContact CG2-CB 4.09Å; S616-K620 PolarHBondContact O-N 3.5Å; R617-K620 PolarHBondContact O-N 2.87Å; K620-F622 VanDerWaalsContact C-N 3.33Å; K620-L623 PolarHBondContact O-N 2.93Å; K620-E624 PolarHBondContact O-N 3.27Å
621D78.4Confident68.2Low38 Ų3868.8 Ų68.820%0.20335%0.346CS..Hα-helixtrans-60.9-45.4176.9-70-10.6000109.8R617 L623 E624 Q625R617-D621 VanDerWaalsContact O-CG 3.29Å; R617-D621 PolarHBondContact O-N 3.37Å; D621-L623 PolarHBondContact O-N 3.25Å; D621-E624 PolarHBondContact O-N 3.1Å; D621-Q625 WeakPolarHBondContact O-CG 3.14Å; D621-Q625 PolarHBondContact O-N 3.38Å
622F83.5Confident70Confident0 Ų064.7 Ų64.70%032%0.318CS..Hα-helixtrans-53.7-51.5174.9174.1-88.8000112.2I546 N547 L550 G592 S595 L596 F599 E618 E619 K620 E624 Q625 F626I546-F622 HydrophobicContact CG2-CD2 3.84Å; I546-F622 HydrophobicContact CG2-CE2 3.89Å; N547-F622 VanDerWaalsContact OD1-CA 3.26Å; N547-F622 WeakPolarHBondContact OD1-CA 3.48Å; N547-F622 WeakPolarHBondContact OD1-CB 3.38Å; N547-F622 PolarHBondContact OD1-N 3.01Å; L550-F622 HydrophobicContact CD1-CD2 3.44Å; L550-F622 VanDerWaalsContact CD1-CD2 3.44Å; L550-F622 HydrophobicContact CD1-CE2 3.4Å; L550-F622 VanDerWaalsContact CD1-CE2 3.4Å; L550-F622 HydrophobicContact CD1-CG 4.43Å; L550-F622 HydrophobicContact CD1-CZ 4.34Å; G592-F622 WeakPolarHBondContact O-CZ 3.43Å; S595-F622 VanDerWaalsContact OG-CE2 3.25Å; S595-F622 WeakPolarHBondContact OG-CE2 3.45Å; L596-F622 HydrophobicContact CD2-CD1 3.96Å; L596-F622 HydrophobicContact CD2-CE1 3.27Å; L596-F622 HydrophobicContact CD2-CZ 3.9Å; L596-F622 HydrophobicContact CG-CE1 3.85Å; L596-F622 HydrophobicContact CG-CZ 3.99Å; F599-F622 HydrophobicContact CD1-CB 4.38Å; F599-F622 HydrophobicContact CD2-CB 4.43Å; F599-F622 HydrophobicContact CD2-CD1 4.44Å; F599-F622 AromaticContact CD2-CD2 3.98Å; F599-F622 HydrophobicContact CD2-CD2 3.98Å; F599-F622 HydrophobicContact CD2-CE2 4.39Å; F599-F622 HydrophobicContact CD2-CG 4Å; F599-F622 HydrophobicContact CE1-CB 3.93Å; F599-F622 HydrophobicContact CE1-CG 4.46Å; F599-F622 HydrophobicContact CE2-CB 4Å; F599-F622 HydrophobicContact CE2-CD1 4.47Å; F599-F622 AromaticContact CE2-CD2 3.26Å; F599-F622 HydrophobicContact CE2-CD2 3.26Å; F599-F622 AromaticContact CE2-CE2 3.83Å; F599-F622 HydrophobicContact CE2-CE2 3.83Å; F599-F622 AromaticContact CE2-CG 3.64Å; F599-F622 HydrophobicContact CE2-CG 3.64Å; F599-F622 HydrophobicContact CZ-CB 3.73Å; F599-F622 AromaticContact CZ-CD2 3.66Å; F599-F622 HydrophobicContact CZ-CD2 3.66Å; F599-F622 AromaticContact CZ-CG 3.9Å; F599-F622 HydrophobicContact CZ-CG 3.9Å; E618-F622 WeakPolarHBondContact O-CB 3.35Å; E618-F622 PolarHBondContact O-N 3.24Å; E619-F622 WeakPolarHBondContact O-CB 3.45Å; E619-F622 PolarHBondContact O-N 3.42Å; K620-F622 VanDerWaalsContact C-N 3.33Å; F622-E624 VanDerWaalsContact C-N 3.34Å; F622-E624 PolarHBondContact O-N 3.06Å; F622-Q625 PolarHBondContact O-N 3.17Å; F622-F626 HydrophobicContact CE1-CB 4.18Å; F622-F626 HydrophobicContact CE1-CG 4.4Å; F622-F626 HydrophobicContact CZ-CB 4.28Å; F622-F626 HydrophobicContact CZ-CD2 4.31Å; F622-F626 HydrophobicContact CZ-CG 4.23Å; F622-F626 VanDerWaalsContact O-CB 3.22Å; F622-F626 WeakPolarHBondContact O-CB 3.45Å; F622-F626 PolarHBondContact O-N 3.41Å
623L77.3Confident71.6Confident47 Ų4757.8 Ų57.825%0.24629%0.286CS..Hα-helixtrans-63.2-40.2-177.5-70.8173.5000111.6E619 K620 D621 S627 L680E619-L623 HydrophobicContact CG-CD1 4.29Å; E619-L623 WeakPolarHBondContact O-CB 3.39Å; E619-L623 VanDerWaalsContact O-CG 3.28Å; E619-L623 WeakPolarHBondContact O-CG 3.48Å; E619-L623 PolarHBondContact O-N 3Å; K620-L623 PolarHBondContact O-N 2.93Å; D621-L623 PolarHBondContact O-N 3.25Å; L623-S627 WeakPolarHBondContact O-CB 3.4Å; L623-S627 PolarHBondContact O-N 3.46Å; L623-L680 HydrophobicContact CD2-CD2 3.66Å
624E79.2Confident72.8Confident79 Ų7953 Ų5337%0.36925%0.246SC..Hα-helixtrans-64.3-49.6176.2-170.6-171.8143.200111.4R554 K620 D621 F622 F626 S627 L628R554-E624 IonicContact NH1-OE1 3.12Å; K620-E624 PolarHBondContact O-N 3.27Å; D621-E624 PolarHBondContact O-N 3.1Å; F622-E624 VanDerWaalsContact C-N 3.34Å; F622-E624 PolarHBondContact O-N 3.06Å; E624-F626 PolarHBondContact O-N 2.97Å; E624-S627 PolarHBondContact O-N 3Å; E624-L628 WeakPolarHBondContact O-CG 3.36Å; E624-L628 PolarHBondContact O-N 2.72Å
625Q76.8Confident73.8Confident20 Ų2045.6 Ų45.69%0.09322%0.223CC..Hα-helixtrans-61.3-47.7179.4-64.2-56.3-3100111.2L550 D621 F622 L628 I629L550-Q625 HydrophobicContact CB-CB 3.92Å; D621-Q625 WeakPolarHBondContact O-CG 3.14Å; D621-Q625 PolarHBondContact O-N 3.38Å; F622-Q625 PolarHBondContact O-N 3.17Å; Q625-L628 PolarHBondContact O-N 3.44Å; Q625-I629 WeakPolarHBondContact O-CG1 3.43Å; Q625-I629 PolarHBondContact O-N 2.97Å; Q625-I629 VanDerWaalsContact O-N 3.16Å
626F77.2Confident73.9Confident0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-67.7-37.6-178.5-162.4-98.7000111.6L550 F589 L593 F622 E624 L628 I629 V630 L680L550-F626 HydrophobicContact CD1-CB 4.48Å; L550-F626 HydrophobicContact CD1-CD2 4.34Å; L550-F626 HydrophobicContact CD2-CD2 4.26Å; F589-F626 HydrophobicContact CD2-CE1 4.19Å; F589-F626 AromaticContact CD2-CZ 3.79Å; F589-F626 HydrophobicContact CD2-CZ 3.79Å; F589-F626 HydrophobicContact CE2-CE1 4.27Å; F589-F626 HydrophobicContact CE2-CZ 4.26Å; L593-F626 HydrophobicContact CD2-CE1 4.08Å; L593-F626 HydrophobicContact CD2-CZ 4.23Å; L593-F626 HydrophobicContact CG-CZ 4.19Å; F622-F626 HydrophobicContact CE1-CB 4.18Å; F622-F626 HydrophobicContact CE1-CG 4.4Å; F622-F626 HydrophobicContact CZ-CB 4.28Å; F622-F626 HydrophobicContact CZ-CD2 4.31Å; F622-F626 HydrophobicContact CZ-CG 4.23Å; F622-F626 VanDerWaalsContact O-CB 3.22Å; F622-F626 WeakPolarHBondContact O-CB 3.45Å; F622-F626 PolarHBondContact O-N 3.41Å; E624-F626 PolarHBondContact O-N 2.97Å; F626-L628 VanDerWaalsContact C-N 3.33Å; F626-L628 PolarHBondContact O-N 3.29Å; F626-I629 PolarHBondContact O-N 3.11Å; F626-V630 HydrophobicContact CD1-CG2 3.61Å; F626-V630 HydrophobicContact CE1-CG2 3.39Å; F626-V630 HydrophobicContact CG-CG2 4.44Å; F626-V630 HydrophobicContact CZ-CG2 4.05Å; F626-V630 WeakPolarHBondContact O-CB 3.15Å; F626-V630 WeakPolarHBondContact O-CG2 3.35Å; F626-V630 PolarHBondContact O-N 3.28Å; F626-L680 HydrophobicContact CD1-CD1 3.67Å; F626-L680 HydrophobicContact CD1-CD2 3.77Å; F626-L680 HydrophobicContact CD1-CG 4.23Å; F626-L680 HydrophobicContact CE1-CB 4.49Å; F626-L680 HydrophobicContact CE1-CD1 3.63Å; F626-L680 HydrophobicContact CE1-CD2 4.42Å; F626-L680 HydrophobicContact CE1-CG 4.41Å
627S74Confident73.7Confident23 Ų2341.9 Ų41.916%0.16120%0.203CC..Hα-helixtrans-56.9-44.8174.3-175.40000112.2L623 E624 V630 N631L623-S627 WeakPolarHBondContact O-CB 3.4Å; L623-S627 PolarHBondContact O-N 3.46Å; E624-S627 PolarHBondContact O-N 3Å; S627-V630 PolarHBondContact O-N 3.11Å; S627-N631 PolarHBondContact O-N 3.2Å; S627-N631 PolarHBondContact O-ND2 3.03Å
628L74.8Confident73.1Confident73 Ų7338.7 Ų38.738%0.38220%0.195SC..Hα-helixtrans-66.4-40.1178.7-68.3170000112.3E624 Q625 F626 N631 A632E624-L628 WeakPolarHBondContact O-CG 3.36Å; E624-L628 PolarHBondContact O-N 2.72Å; Q625-L628 PolarHBondContact O-N 3.44Å; F626-L628 VanDerWaalsContact C-N 3.33Å; F626-L628 PolarHBondContact O-N 3.29Å; L628-N631 PolarHBondContact O-N 3.43Å; L628-A632 PolarHBondContact O-N 3.01Å
629I73.4Confident72.5Confident4 Ų440.2 Ų40.22%0.02120%0.201CC..Hα-helixtrans-63.8-43.6175.3-66.7166.7000110.7L550 C553 R554 I557 I588 Q625 F626 N631 A632 L633L550-I629 HydrophobicContact CB-CD1 4.13Å; L550-I629 HydrophobicContact CD2-CD1 3.73Å; L550-I629 HydrophobicContact CG-CD1 4.49Å; C553-I629 HydrophobicContact CB-CD1 4.09Å; R554-I629 HydrophobicContact CB-CG1 4.4Å; I557-I629 HydrophobicContact CD1-CB 4.45Å; I557-I629 HydrophobicContact CD1-CG1 4.08Å; I557-I629 HydrophobicContact CD1-CG2 4.06Å; I588-I629 HydrophobicContact CG2-CD1 4.32Å; I588-I629 HydrophobicContact CG2-CG2 3.81Å; Q625-I629 WeakPolarHBondContact O-CG1 3.43Å; Q625-I629 PolarHBondContact O-N 2.97Å; Q625-I629 VanDerWaalsContact O-N 3.16Å; F626-I629 PolarHBondContact O-N 3.11Å; I629-N631 VanDerWaalsContact C-N 3.32Å; I629-N631 PolarHBondContact O-N 2.97Å; I629-A632 WeakPolarHBondContact O-CB 3.35Å; I629-A632 PolarHBondContact O-N 3.43Å; I629-L633 PolarHBondContact O-N 3.23Å
630V73.1Confident71.7Confident2 Ų240.5 Ų40.51%0.01220%0.203CC..Hα-helixtrans-60.3-43.8176.5167.10000110.7F589 F626 S627 A632 L633 S634 L684F589-V630 HydrophobicContact CD2-CG2 4.02Å; F589-V630 HydrophobicContact CE2-CG2 4.06Å; F626-V630 HydrophobicContact CD1-CG2 3.61Å; F626-V630 HydrophobicContact CE1-CG2 3.39Å; F626-V630 HydrophobicContact CG-CG2 4.44Å; F626-V630 HydrophobicContact CZ-CG2 4.05Å; F626-V630 WeakPolarHBondContact O-CB 3.15Å; F626-V630 WeakPolarHBondContact O-CG2 3.35Å; F626-V630 PolarHBondContact O-N 3.28Å; S627-V630 PolarHBondContact O-N 3.11Å; V630-A632 VanDerWaalsContact C-N 3.32Å; V630-A632 PolarHBondContact O-N 2.81Å; V630-L633 PolarHBondContact O-N 3.4Å; V630-S634 WeakPolarHBondContact O-CB 3.27Å; V630-S634 PolarHBondContact O-N 2.83Å; V630-L684 HydrophobicContact CG1-CD2 3.22Å; V630-L684 HydrophobicContact CG1-CG 3.63Å
631N72.5Confident70.8Confident47 Ų4735.9 Ų35.925%0.25119%0.186SC..Hα-helixtrans-62-38.9174.9-78.7-32.3000112.8S627 L628 I629 S634 L635 N687S627-N631 PolarHBondContact O-N 3.2Å; S627-N631 PolarHBondContact O-ND2 3.03Å; L628-N631 PolarHBondContact O-N 3.43Å; I629-N631 VanDerWaalsContact C-N 3.32Å; I629-N631 PolarHBondContact O-N 2.97Å; N631-S634 WeakPolarHBondContact O-CB 3.45Å; N631-S634 PolarHBondContact O-N 3.3Å; N631-L635 PolarHBondContact O-N 3.36Å; N631-N687 PolarHBondContact OD1-ND2 2.95Å; N631-N687 VanDerWaalsContact OD1-ND2 3.14Å
632A70.5Confident69.8Low5 Ų536.4 Ų36.44%0.04120%0.196CC..Hα-helixtrans-67.4-43.1176.200000112.9I557 Q561 L628 I629 V630 S634 L635 S636I557-A632 HydrophobicContact CG2-CB 3.29Å; Q561-A632 VanDerWaalsContact NE2-CB 3.26Å; L628-A632 PolarHBondContact O-N 3.01Å; I629-A632 WeakPolarHBondContact O-CB 3.35Å; I629-A632 PolarHBondContact O-N 3.43Å; V630-A632 VanDerWaalsContact C-N 3.32Å; V630-A632 PolarHBondContact O-N 2.81Å; A632-S634 VanDerWaalsContact C-N 3.25Å; A632-S634 PolarHBondContact O-N 3.15Å; A632-L635 PolarHBondContact O-N 3.05Å; A632-S636 PolarHBondContact O-N 3.43Å; A632-S636 PolarHBondContact O-OG 3.3Å
633L69Low68.3Low18 Ų1841.7 Ų41.79%0.09422%0.217CC..Hα-helixtrans-57.6-44171.817364.2000110.4L585 F589 I629 V630 L635 S636 I637L585-L633 HydrophobicContact CB-CD1 3.9Å; F589-L633 HydrophobicContact CB-CD2 3.96Å; F589-L633 HydrophobicContact CD2-CD2 4.16Å; F589-L633 HydrophobicContact CG-CD2 4.02Å; I629-L633 PolarHBondContact O-N 3.23Å; V630-L633 PolarHBondContact O-N 3.4Å; L633-L635 PolarHBondContact O-N 2.91Å; L633-S636 WeakPolarHBondContact O-CB 3.49Å; L633-S636 PolarHBondContact O-N 3.22Å; L633-I637 HydrophobicContact CD1-CD1 4.1Å; L633-I637 HydrophobicContact CD1-CG1 4.3Å; L633-I637 HydrophobicContact CG-CD1 3.96Å; L633-I637 WeakPolarHBondContact O-CG1 3.45Å; L633-I637 PolarHBondContact O-N 3.33Å
634S68Low67.1Low3 Ų340.2 Ų40.22%0.02121%0.209CC..Hα-helixtrans-53-55.4173.9-133.70000110.4V630 N631 A632 S636 I637 Q638 I690V630-S634 WeakPolarHBondContact O-CB 3.27Å; V630-S634 PolarHBondContact O-N 2.83Å; N631-S634 WeakPolarHBondContact O-CB 3.45Å; N631-S634 PolarHBondContact O-N 3.3Å; A632-S634 VanDerWaalsContact C-N 3.25Å; A632-S634 PolarHBondContact O-N 3.15Å; S634-S636 VanDerWaalsContact C-N 3.28Å; S634-S636 PolarHBondContact O-N 3.47Å; S634-I637 PolarHBondContact O-N 3.17Å; S634-I637 VanDerWaalsContact O-N 3.14Å; S634-Q638 PolarHBondContact O-N 2.82Å; S634-I690 WeakPolarHBondContact O-CD1 3.4Å; S634-I690 WeakPolarHBondContact OG-CB 3.48Å; S634-I690 WeakPolarHBondContact OG-CD1 3.19Å; S634-I690 VanDerWaalsContact OG-CG2 3.31Å; S634-I690 WeakPolarHBondContact OG-CG2 3.18Å
635L66.6Low65.8Low69 Ų6944.6 Ų44.636%0.36123%0.227SC..Hα-helixtrans-57.8-40.1178.9-109.192.6000112.6N631 A632 L633 Q638 K639N631-L635 PolarHBondContact O-N 3.36Å; A632-L635 PolarHBondContact O-N 3.05Å; L633-L635 PolarHBondContact O-N 2.91Å; L635-Q638 PolarHBondContact O-N 3Å; L635-K639 WeakPolarHBondContact O-CG 3.31Å; L635-K639 PolarHBondContact O-N 3.47Å
636S64.6Low64.7Low30 Ų3051 Ų5121%0.2126%0.261CS..Hα-helixtrans-63.7-43.6176.9-64.10000111.6A632 L633 S634 Q638 K639 I640A632-S636 PolarHBondContact O-N 3.43Å; A632-S636 PolarHBondContact O-OG 3.3Å; L633-S636 WeakPolarHBondContact O-CB 3.49Å; L633-S636 PolarHBondContact O-N 3.22Å; S634-S636 VanDerWaalsContact C-N 3.28Å; S634-S636 PolarHBondContact O-N 3.47Å; S636-Q638 PolarHBondContact O-N 2.88Å; S636-K639 PolarHBondContact O-N 3.01Å; S636-I640 WeakPolarHBondContact O-CD1 3.47Å; S636-I640 VanDerWaalsContact O-CG1 3.23Å; S636-I640 WeakPolarHBondContact O-CG1 3.27Å; S636-I640 PolarHBondContact O-N 3.06Å
637I63.3Low63.5Low31 Ų3156.4 Ų56.416%0.15929%0.286CS..Hα-helixtrans-61-45.5174.4-66.7164.9000110.2L633 S634 K639 I640 V641 L660 L693L633-I637 HydrophobicContact CD1-CD1 4.1Å; L633-I637 HydrophobicContact CD1-CG1 4.3Å; L633-I637 HydrophobicContact CG-CD1 3.96Å; L633-I637 WeakPolarHBondContact O-CG1 3.45Å; L633-I637 PolarHBondContact O-N 3.33Å; S634-I637 PolarHBondContact O-N 3.17Å; S634-I637 VanDerWaalsContact O-N 3.14Å; I637-K639 VanDerWaalsContact C-N 3.32Å; I637-K639 PolarHBondContact O-N 3.33Å; I637-I640 PolarHBondContact O-N 2.89Å; I637-V641 HydrophobicContact CG2-CG2 4.25Å; I637-V641 WeakPolarHBondContact O-CB 3.49Å; I637-V641 VanDerWaalsContact O-CG2 3.26Å; I637-V641 WeakPolarHBondContact O-CG2 3.44Å; I637-V641 PolarHBondContact O-N 3.14Å; I637-L660 HydrophobicContact CD1-CD2 4.36Å; I637-L693 HydrophobicContact CG2-CD2 3.68Å
638Q63.8Low62Low81 Ų8160 Ų6038%0.37930%0.299SS..Hα-helixtrans-58.9-43178-172.2-177.3-14.500111.9S634 L635 S636 V641 A642 S689 I690S634-Q638 PolarHBondContact O-N 2.82Å; L635-Q638 PolarHBondContact O-N 3Å; S636-Q638 PolarHBondContact O-N 2.88Å; Q638-V641 PolarHBondContact O-N 3.17Å; Q638-A642 WeakPolarHBondContact O-CB 3.45Å; Q638-A642 PolarHBondContact O-N 2.82Å; Q638-S689 PolarHBondContact OE1-OG 2.68Å; Q638-S689 VanDerWaalsContact OE1-OG 3.05Å; Q638-I690 HydrophobicContact CB-CD1 3.96Å; Q638-I690 HydrophobicContact CB-CG1 3.91Å; Q638-I690 HydrophobicContact CG-CG1 4.31Å
639K61.8Low60.8Low93 Ų9361.5 Ų61.540%0.40432%0.316SS..Hα-helixtrans-65.9-41.6176.9-74.1178.2178.7-176.60112.3H564 L635 S636 I637 A642 Y643H564-K639 PolarHBondContact CD2-NZ 2.92Å; H564-K639 PolarHBondContact NE2-NZ 3.24Å; L635-K639 WeakPolarHBondContact O-CG 3.31Å; L635-K639 PolarHBondContact O-N 3.47Å; S636-K639 PolarHBondContact O-N 3.01Å; I637-K639 VanDerWaalsContact C-N 3.32Å; I637-K639 PolarHBondContact O-N 3.33Å; K639-A642 PolarHBondContact O-N 3.28Å; K639-Y643 VanDerWaalsContact O-CB 3.29Å; K639-Y643 WeakPolarHBondContact O-CB 3.43Å; K639-Y643 PolarHBondContact O-N 3.49Å
640I59.4Low59.6Low51 Ų5167.9 Ų67.926%0.26235%0.35SS..Hα-helixtrans-62.9-44.9175.7-67.9162.4000110.2V582 S636 I637 Y643 I644 L656V582-I640 HydrophobicContact CG1-CD1 4.14Å; V582-I640 HydrophobicContact CG2-CD1 3.61Å; S636-I640 WeakPolarHBondContact O-CD1 3.47Å; S636-I640 VanDerWaalsContact O-CG1 3.23Å; S636-I640 WeakPolarHBondContact O-CG1 3.27Å; S636-I640 PolarHBondContact O-N 3.06Å; I637-I640 PolarHBondContact O-N 2.89Å; I640-Y643 PolarHBondContact O-N 2.9Å; I640-I644 HydrophobicContact CG2-CD1 3.61Å; I640-I644 HydrophobicContact CG2-CG1 4.31Å; I640-I644 WeakPolarHBondContact O-CB 3.32Å; I640-I644 WeakPolarHBondContact O-CG1 3.47Å; I640-I644 PolarHBondContact O-N 3.22Å; I640-L656 HydrophobicContact CG2-CD1 4.32Å
641V59.7Low58.1Low39 Ų3973.6 Ų73.624%0.23638%0.38CS..Hα-helixtrans-60.4-48.1175.2172.60000110.4I637 Q638 Y643 I644 F645 L656 L693I637-V641 HydrophobicContact CG2-CG2 4.25Å; I637-V641 WeakPolarHBondContact O-CB 3.49Å; I637-V641 VanDerWaalsContact O-CG2 3.26Å; I637-V641 WeakPolarHBondContact O-CG2 3.44Å; I637-V641 PolarHBondContact O-N 3.14Å; Q638-V641 PolarHBondContact O-N 3.17Å; V641-Y643 VanDerWaalsContact C-N 3.34Å; V641-Y643 PolarHBondContact O-N 3.36Å; V641-I644 PolarHBondContact O-N 2.77Å; V641-F645 VanDerWaalsContact O-CB 3.3Å; V641-F645 WeakPolarHBondContact O-CB 3.42Å; V641-F645 PolarHBondContact O-N 2.83Å; V641-L656 HydrophobicContact CG2-CD2 3.29Å; V641-L693 HydrophobicContact CG2-CD2 4.08Å
642A58.3Low56.9Low50 Ų5074.9 Ų74.941%0.41338%0.384SS..Hα-helixtrans-61-42.7178.100000111.8Q638 K639 F645 L646Q638-A642 WeakPolarHBondContact O-CB 3.45Å; Q638-A642 PolarHBondContact O-N 2.82Å; K639-A642 PolarHBondContact O-N 3.28Å; A642-F645 PolarHBondContact O-N 3.27Å; A642-L646 WeakPolarHBondContact O-CB 3.24Å; A642-L646 PolarHBondContact O-N 3.42Å
643Y51.3Low55.9Low110 Ų11076.6 Ų76.643%0.43139%0.394SS..Hα-helixtrans-64.1-46.1176.1-178.5-89.2000111.9K639 I640 V641 F645 L646 Q647K639-Y643 VanDerWaalsContact O-CB 3.29Å; K639-Y643 WeakPolarHBondContact O-CB 3.43Å; K639-Y643 PolarHBondContact O-N 3.49Å; I640-Y643 PolarHBondContact O-N 2.9Å; V641-Y643 VanDerWaalsContact C-N 3.34Å; V641-Y643 PolarHBondContact O-N 3.36Å; Y643-F645 VanDerWaalsContact C-N 3.3Å; Y643-F645 PolarHBondContact O-N 3.42Å; Y643-L646 PolarHBondContact O-N 3.33Å; Y643-Q647 HydrophobicContact CE1-CB 4.27Å; Y643-Q647 HydrophobicContact CE1-CG 4.27Å; Y643-Q647 HydrophobicContact CE2-CG 4.13Å; Y643-Q647 PolarHBondContact O-N 3.4Å; Y643-Q647 VanDerWaalsContact OH-CD 3.24Å; Y643-Q647 PolarHBondContact OH-OE1 3.47Å
644I52.2Low55.3Low17 Ų1779 Ų799%0.08741%0.412CS..Hα-helixtrans-59.1-45.3174.8-72.1166.2000109.7I640 V641 L646 Q647 F648 H652 V653I640-I644 HydrophobicContact CG2-CD1 3.61Å; I640-I644 HydrophobicContact CG2-CG1 4.31Å; I640-I644 WeakPolarHBondContact O-CB 3.32Å; I640-I644 WeakPolarHBondContact O-CG1 3.47Å; I640-I644 PolarHBondContact O-N 3.22Å; V641-I644 PolarHBondContact O-N 2.77Å; I644-L646 VanDerWaalsContact C-N 3.3Å; I644-L646 PolarHBondContact O-N 3.36Å; I644-Q647 PolarHBondContact O-N 3.31Å; I644-F648 CarbonylContact O-C 3.59Å; I644-F648 PolarHBondContact O-N 3.26Å; I644-H652 HydrophobicContact CB-CB 4.44Å; I644-H652 HydrophobicContact CD1-CB 4.09Å; I644-H652 HydrophobicContact CG1-CB 4.05Å; I644-H652 HydrophobicContact CG2-CB 3.54Å; I644-V653 HydrophobicContact CG2-CG2 3.79Å
645F52.5Low54.6Low170 Ų17086 Ų8675%0.74644%0.439SS*.Hα-helixtrans-64.7-34.5179.2-148-88.9000112.2V641 A642 Y643V641-F645 VanDerWaalsContact O-CB 3.3Å; V641-F645 WeakPolarHBondContact O-CB 3.42Å; V641-F645 PolarHBondContact O-N 2.83Å; A642-F645 PolarHBondContact O-N 3.27Å; Y643-F645 VanDerWaalsContact C-N 3.3Å; Y643-F645 PolarHBondContact O-N 3.42Å
646L52.5Low54Low156 Ų15684.2 Ų84.282%0.81743%0.429SS*.Hα-helixtrans-76.6-39.2178.1-122.7106.4000113.2A642 Y643 I644A642-L646 WeakPolarHBondContact O-CB 3.24Å; A642-L646 PolarHBondContact O-N 3.42Å; Y643-L646 PolarHBondContact O-N 3.33Å; I644-L646 VanDerWaalsContact C-N 3.3Å; I644-L646 PolarHBondContact O-N 3.36Å
647Q51.6Low53.7Low112 Ų11285.6 Ų85.652%0.52343%0.431SS..Hα-helixtrans-102-29.1-171.2-83.8-132.5-27.100115.3Y643 I644Y643-Q647 HydrophobicContact CE1-CB 4.27Å; Y643-Q647 HydrophobicContact CE1-CG 4.27Å; Y643-Q647 HydrophobicContact CE2-CG 4.13Å; Y643-Q647 PolarHBondContact O-N 3.4Å; Y643-Q647 VanDerWaalsContact OH-CD 3.24Å; Y643-Q647 PolarHBondContact OH-OE1 3.47Å; I644-Q647 PolarHBondContact O-N 3.31Å
648F44.1Very low53.5Low98 Ų9888.6 Ų88.643%0.4345%0.448SS..  trans-139120.7-166.4-69.4-75.7000113.6I644 N650I644-F648 CarbonylContact O-C 3.59Å; I644-F648 PolarHBondContact O-N 3.26Å; F648-N650 PolarHBondContact O-N 3.5Å
649S49Very low53.4Low106 Ų10688.3 Ų88.374%0.74145%0.452SS*.  trans-43.2122.216450.80000112.6L651S649-L651 PolarHBondContact O-N 3.44Å
650N48.5Very low53.6Low138 Ų13885.7 Ų85.774%0.73844%0.442SS*.SBendtrans30.4-38162.4-70.7-19.1000122.1F648 H652 V653F648-N650 PolarHBondContact O-N 3.5Å; N650-H652 VanDerWaalsContact C-N 3.31Å; N650-H652 PolarHBondContact O-N 3.42Å; N650-V653 PolarHBondContact O-N 2.85Å; N650-V653 VanDerWaalsContact O-N 3.15Å
651L41.4Very low54.1Low122 Ų12284.4 Ų84.464%0.63944%0.435SS*.Hα-helixtrans-60.5-35.6-171.9-146.190.6000113.2S649S649-L651 PolarHBondContact O-N 3.44Å
652H46.7Very low54.7Low73 Ų7386 Ų8634%0.33845%0.448SS..Hα-helixtrans-78.8-25.3179.5-81.2-85.4000113.3I644 N650 R655 L656I644-H652 HydrophobicContact CB-CB 4.44Å; I644-H652 HydrophobicContact CD1-CB 4.09Å; I644-H652 HydrophobicContact CG1-CB 4.05Å; I644-H652 HydrophobicContact CG2-CB 3.54Å; N650-H652 VanDerWaalsContact C-N 3.31Å; N650-H652 PolarHBondContact O-N 3.42Å; H652-R655 PolarHBondContact O-N 3.49Å; H652-L656 PolarHBondContact O-N 3.14Å; H652-L656 VanDerWaalsContact O-N 3.1Å
653V50.4Low55.6Low42 Ų4284.9 Ų84.926%0.25544%0.437SS..Hα-helixtrans-65-44.1176.1-179.70000109.5I644 N650 R655 L656 F657I644-V653 HydrophobicContact CG2-CG2 3.79Å; N650-V653 PolarHBondContact O-N 2.85Å; N650-V653 VanDerWaalsContact O-N 3.15Å; V653-R655 PolarHBondContact O-N 3.43Å; V653-L656 WeakPolarHBondContact O-CB 3.34Å; V653-L656 PolarHBondContact O-N 3.32Å; V653-F657 HydrophobicContact CG1-CD2 3.73Å; V653-F657 HydrophobicContact CG1-CE2 3.67Å; V653-F657 WeakPolarHBondContact O-CD2 3.48Å; V653-F657 PolarHBondContact O-N 2.96Å
654S54.8Low57.1Low67 Ų6780.7 Ų80.747%0.46942%0.422SS..Hα-helixtrans-58-46.1176-164.40000112.4L656 F657 D658S654-L656 VanDerWaalsContact C-N 3.3Å; S654-L656 PolarHBondContact O-N 3.06Å; S654-F657 WeakPolarHBondContact O-CB 3.42Å; S654-F657 PolarHBondContact O-N 3.23Å; S654-F657 VanDerWaalsContact O-N 3.14Å; S654-D658 VanDerWaalsContact O-CG 3.27Å; S654-D658 PolarHBondContact O-N 3.05Å
655R53.5Low58.8Low152 Ų15283.1 Ų83.157%0.57444%0.435SS*.Hα-helixtrans-61.9-38177.9-68.6-175.5-178.7176.31.8112.6H652 V653 D658 V659H652-R655 PolarHBondContact O-N 3.49Å; V653-R655 PolarHBondContact O-N 3.43Å; R655-D658 PolarHBondContact O-N 3.35Å; R655-V659 VanDerWaalsContact O-CG2 3.3Å; R655-V659 WeakPolarHBondContact O-CG2 3.38Å; R655-V659 PolarHBondContact O-N 3.19Å
656L54Low60.3Low31 Ų3177.4 Ų77.416%0.16241%0.41CS..Hα-helixtrans-65.3-43.6175.2-171.685.6000110.8I640 V641 H652 V653 S654 D658 V659 L660I640-L656 HydrophobicContact CG2-CD1 4.32Å; V641-L656 HydrophobicContact CG2-CD2 3.29Å; H652-L656 PolarHBondContact O-N 3.14Å; H652-L656 VanDerWaalsContact O-N 3.1Å; V653-L656 WeakPolarHBondContact O-CB 3.34Å; V653-L656 PolarHBondContact O-N 3.32Å; S654-L656 VanDerWaalsContact C-N 3.3Å; S654-L656 PolarHBondContact O-N 3.06Å; L656-D658 VanDerWaalsContact C-N 3.33Å; L656-D658 PolarHBondContact O-N 3.01Å; L656-V659 PolarHBondContact O-N 3.45Å; L656-L660 HydrophobicContact CD2-CD1 4.15Å; L656-L660 HydrophobicContact CG-CD1 3.98Å; L656-L660 HydrophobicContact CG-CG 4.45Å; L656-L660 WeakPolarHBondContact O-CB 3.38Å; L656-L660 VanDerWaalsContact O-CG 3.26Å; L656-L660 WeakPolarHBondContact O-CG 3.45Å; L656-L660 PolarHBondContact O-N 2.95Å
657F59.9Low61.8Low58 Ų5870.5 Ų70.525%0.25438%0.375SS..Hα-helixtrans-58-43.9174-92.4-83.4000111.6V653 S654 V659 L660 N661 V697V653-F657 HydrophobicContact CG1-CD2 3.73Å; V653-F657 HydrophobicContact CG1-CE2 3.67Å; V653-F657 WeakPolarHBondContact O-CD2 3.48Å; V653-F657 PolarHBondContact O-N 2.96Å; S654-F657 WeakPolarHBondContact O-CB 3.42Å; S654-F657 PolarHBondContact O-N 3.23Å; S654-F657 VanDerWaalsContact O-N 3.14Å; F657-V659 PolarHBondContact O-N 2.99Å; F657-L660 PolarHBondContact O-N 3.36Å; F657-N661 VanDerWaalsContact O-CB 3.3Å; F657-N661 WeakPolarHBondContact O-CB 3.46Å; F657-N661 VanDerWaalsContact O-CG 3.29Å; F657-N661 PolarHBondContact O-N 3.45Å; F657-N661 PolarHBondContact O-ND2 2.68Å; F657-V697 HydrophobicContact CD1-CG2 3.91Å; F657-V697 HydrophobicContact CE1-CG2 3.65Å; F657-V697 HydrophobicContact CZ-CG2 4.42Å
658D58.3Low63.6Low94 Ų9465.2 Ų65.250%0.50335%0.35SS..Hα-helixtrans-63.9-40.8178.2-62.6-29.5000112.4S654 R655 L656 S662S654-D658 VanDerWaalsContact O-CG 3.27Å; S654-D658 PolarHBondContact O-N 3.05Å; R655-D658 PolarHBondContact O-N 3.35Å; L656-D658 VanDerWaalsContact C-N 3.33Å; L656-D658 PolarHBondContact O-N 3.01Å; D658-S662 WeakPolarHBondContact O-CB 3.44Å; D658-S662 PolarHBondContact O-N 3.48Å; D658-S662 PolarHBondContact O-OG 3.31Å
659V60.6Low65.7Low76 Ų7666.7 Ų66.746%0.46136%0.358SS..Hα-helixtrans-67.7-38.9176.4172.60000111.5R655 L656 F657 S662 S663R655-V659 VanDerWaalsContact O-CG2 3.3Å; R655-V659 WeakPolarHBondContact O-CG2 3.38Å; R655-V659 PolarHBondContact O-N 3.19Å; L656-V659 PolarHBondContact O-N 3.45Å; F657-V659 PolarHBondContact O-N 2.99Å; V659-S662 WeakPolarHBondContact CA-OG 3.44Å; V659-S662 PolarHBondContact O-OG 3.4Å; V659-S663 WeakPolarHBondContact O-CB 3.4Å; V659-S663 PolarHBondContact O-N 3.31Å; V659-S663 VanDerWaalsContact O-N 3.14Å; V659-S663 PolarHBondContact O-OG 3.14Å
660L66.7Low67.5Low37 Ų3762.3 Ų62.319%0.19433%0.325CS..Hα-helixtrans-70.2-42.1176.4-68.9171000111.3I637 L656 F657 S663 L664 V697I637-L660 HydrophobicContact CD1-CD2 4.36Å; L656-L660 HydrophobicContact CD2-CD1 4.15Å; L656-L660 HydrophobicContact CG-CD1 3.98Å; L656-L660 HydrophobicContact CG-CG 4.45Å; L656-L660 WeakPolarHBondContact O-CB 3.38Å; L656-L660 VanDerWaalsContact O-CG 3.26Å; L656-L660 WeakPolarHBondContact O-CG 3.45Å; L656-L660 PolarHBondContact O-N 2.95Å; F657-L660 PolarHBondContact O-N 3.36Å; L660-S663 WeakPolarHBondContact O-CB 3.47Å; L660-S663 PolarHBondContact O-N 2.98Å; L660-S663 VanDerWaalsContact O-N 3.14Å; L660-L664 PolarHBondContact O-N 3.28Å; L660-V697 HydrophobicContact CB-CG1 3.79Å; L660-V697 HydrophobicContact CB-CG2 4.43Å; L660-V697 HydrophobicContact CD1-CG2 3.97Å
661N70Confident69.3Low25 Ų2556 Ų5613%0.13429%0.291CS..Hα-helixtrans-61.1-48.3176.2-79.8-19.8000111.8F657 S663 L664 D665F657-N661 VanDerWaalsContact O-CB 3.3Å; F657-N661 WeakPolarHBondContact O-CB 3.46Å; F657-N661 VanDerWaalsContact O-CG 3.29Å; F657-N661 PolarHBondContact O-N 3.45Å; F657-N661 PolarHBondContact O-ND2 2.68Å; N661-S663 PolarHBondContact O-N 2.89Å; N661-L664 WeakPolarHBondContact O-CB 3.44Å; N661-L664 PolarHBondContact O-N 3.47Å; N661-D665 PolarHBondContact O-N 3.01Å
662S72.4Confident71.6Confident72 Ų7252.1 Ų52.150%0.50327%0.273SS..Hα-helixtrans-63.4-26.3175.557.70000113.1D658 V659D658-S662 WeakPolarHBondContact O-CB 3.44Å; D658-S662 PolarHBondContact O-N 3.48Å; D658-S662 PolarHBondContact O-OG 3.31Å; V659-S662 WeakPolarHBondContact CA-OG 3.44Å; V659-S662 PolarHBondContact O-OG 3.4Å
663S77Confident73.5Confident26 Ų2653.6 Ų53.618%0.18229%0.287CS..Hα-helixtrans-75.4-29173.2-60.20000112.5V659 L660 N661 F666 V667V659-S663 WeakPolarHBondContact O-CB 3.4Å; V659-S663 PolarHBondContact O-N 3.31Å; V659-S663 VanDerWaalsContact O-N 3.14Å; V659-S663 PolarHBondContact O-OG 3.14Å; L660-S663 WeakPolarHBondContact O-CB 3.47Å; L660-S663 PolarHBondContact O-N 2.98Å; L660-S663 VanDerWaalsContact O-N 3.14Å; N661-S663 PolarHBondContact O-N 2.89Å; S663-F666 WeakPolarHBondContact O-CB 3.27Å; S663-F666 PolarHBondContact O-N 2.98Å; S663-V667 WeakPolarHBondContact O-CG2 3.36Å; S663-V667 PolarHBondContact O-N 2.88Å; S663-V667 VanDerWaalsContact O-N 3.1Å
664L83.1Confident75.1Confident22 Ų2252.3 Ų52.312%0.11528%0.279CS..Hα-helixtrans-68.1-35.8176.6-72.5179.9000112.6L660 N661 F666 V667 V668 V697 M698 Y701L660-L664 PolarHBondContact O-N 3.28Å; N661-L664 WeakPolarHBondContact O-CB 3.44Å; N661-L664 PolarHBondContact O-N 3.47Å; L664-F666 VanDerWaalsContact C-N 3.27Å; L664-F666 PolarHBondContact O-N 3.49Å; L664-V667 PolarHBondContact O-N 3.22Å; L664-V667 VanDerWaalsContact O-N 3.12Å; L664-V668 WeakPolarHBondContact O-CB 3.43Å; L664-V668 VanDerWaalsContact O-CG2 3.31Å; L664-V668 WeakPolarHBondContact O-CG2 3.31Å; L664-V668 PolarHBondContact O-N 3.25Å; L664-V697 HydrophobicContact CD1-CG1 3.72Å; L664-M698 HydrophobicContact CD1-SD 4.23Å; L664-M698 HydrophobicContact CD2-CE 3.84Å; L664-M698 HydrophobicContact CD2-SD 4Å; L664-Y701 HydrophobicContact CB-CD1 4.28Å; L664-Y701 HydrophobicContact CB-CD2 3.92Å; L664-Y701 HydrophobicContact CB-CE1 4.49Å; L664-Y701 HydrophobicContact CB-CE2 4.11Å; L664-Y701 HydrophobicContact CB-CG 4.01Å; L664-Y701 HydrophobicContact CD1-CD1 4.26Å; L664-Y701 HydrophobicContact CD1-CD2 4.28Å; L664-Y701 HydrophobicContact CD1-CG 3.75Å
665D86.9Confident76.5Confident68 Ų6856.2 Ų56.236%0.36429%0.287SS..Hα-helixtrans-55.8-45172.5-82-39.9000111.7N661 V668 Q669 Y701N661-D665 PolarHBondContact O-N 3.01Å; D665-V668 PolarHBondContact O-N 3.04Å; D665-Q669 VanDerWaalsContact O-CG 3.32Å; D665-Q669 WeakPolarHBondContact O-CG 3.48Å; D665-Q669 PolarHBondContact O-N 3.02Å; D665-Y701 VanDerWaalsContact OD1-CE2 3.24Å; D665-Y701 WeakPolarHBondContact OD1-CE2 3.41Å; D665-Y701 VanDerWaalsContact OD1-CZ 3.32Å; D665-Y701 PolarHBondContact OD1-OH 3.04Å
666F84.7Confident77.8Confident51 Ų5150.6 Ų50.622%0.22427%0.274CS..Hα-helixtrans-62.9-44.6175.5174.7-95000111.9K590 L593 N594 S663 L664 Q669 R670K590-F666 HydrophobicContact CB-CE1 3.87Å; K590-F666 HydrophobicContact CB-CZ 3.99Å; K590-F666 HydrophobicContact CG-CD1 4.01Å; K590-F666 HydrophobicContact CG-CE1 3.77Å; K590-F666 HydrophobicContact CG-CZ 4.24Å; L593-F666 HydrophobicContact CB-CE1 4.47Å; L593-F666 HydrophobicContact CD1-CD1 4.5Å; L593-F666 HydrophobicContact CD1-CE1 4.06Å; N594-F666 WeakPolarHBondContact OD1-CZ 3.46Å; S663-F666 WeakPolarHBondContact O-CB 3.27Å; S663-F666 PolarHBondContact O-N 2.98Å; L664-F666 VanDerWaalsContact C-N 3.27Å; L664-F666 PolarHBondContact O-N 3.49Å; F666-Q669 PolarHBondContact O-N 3.34Å; F666-R670 VanDerWaalsContact O-CB 3.27Å; F666-R670 WeakPolarHBondContact O-CB 3.49Å; F666-R670 PolarHBondContact O-N 3.45Å
667V85Confident79.1Confident11 Ų1149.2 Ų49.27%0.06727%0.267CS..Hα-helixtrans-62.7-43.8178.7172.40000111.3F589 L593 S663 L664 R670 I671 V681F589-V667 HydrophobicContact CE1-CG2 3.85Å; F589-V667 HydrophobicContact CZ-CG2 4.14Å; L593-V667 HydrophobicContact CD1-CG2 4.05Å; S663-V667 WeakPolarHBondContact O-CG2 3.36Å; S663-V667 PolarHBondContact O-N 2.88Å; S663-V667 VanDerWaalsContact O-N 3.1Å; L664-V667 PolarHBondContact O-N 3.22Å; L664-V667 VanDerWaalsContact O-N 3.12Å; V667-R670 WeakPolarHBondContact O-CB 3.33Å; V667-R670 PolarHBondContact O-N 2.88Å; V667-I671 HydrophobicContact CG1-CD1 3.77Å; V667-I671 HydrophobicContact CG1-CG1 4.37Å; V667-I671 VanDerWaalsContact O-CG1 3.27Å; V667-I671 WeakPolarHBondContact O-CG1 3.28Å; V667-I671 PolarHBondContact O-N 2.92Å; V667-V681 HydrophobicContact CG1-CG2 3.76Å
668V89.2Confident80.3Confident1 Ų148 Ų481%0.00626%0.262CS..Hα-helixtrans-62.2-50.6178.2167.40000110.8L664 D665 R670 I671 V672 Y701 K715 V718 L722L664-V668 WeakPolarHBondContact O-CB 3.43Å; L664-V668 VanDerWaalsContact O-CG2 3.31Å; L664-V668 WeakPolarHBondContact O-CG2 3.31Å; L664-V668 PolarHBondContact O-N 3.25Å; D665-V668 PolarHBondContact O-N 3.04Å; V668-R670 PolarHBondContact O-N 3.45Å; V668-I671 PolarHBondContact O-N 2.97Å; V668-V672 WeakPolarHBondContact O-CG2 3.39Å; V668-V672 PolarHBondContact O-N 3.25Å; V668-Y701 HydrophobicContact CG2-CE1 3.8Å; V668-K715 HydrophobicContact CG1-CG 4.23Å; V668-V718 HydrophobicContact CG1-CG1 4.42Å; V668-L722 HydrophobicContact CG2-CD1 3.85Å
669Q88.1Confident81.2Confident128 Ų12846.6 Ų46.660%0.59826%0.26SS*.Hα-helixtrans-55.4-39.8175.6-73.7177.73.400110.9D665 F666 V672 T673D665-Q669 VanDerWaalsContact O-CG 3.32Å; D665-Q669 WeakPolarHBondContact O-CG 3.48Å; D665-Q669 PolarHBondContact O-N 3.02Å; F666-Q669 PolarHBondContact O-N 3.34Å; Q669-V672 WeakPolarHBondContact O-CB 3.49Å; Q669-V672 PolarHBondContact O-N 3.47Å; Q669-T673 PolarHBondContact O-N 3.32Å; Q669-T673 PolarHBondContact O-OG1 2.98Å; Q669-T673 VanDerWaalsContact O-OG1 3.13Å
670R85.5Confident81.9Confident15 Ų1543.2 Ų43.26%0.05724%0.239CC..Hα-helixtrans-68.7-39.3-179.9-171.960.9-174.4149.29.7113.7L593 N594 D597 F666 V667 V668 V672 T673 N674 A677L593-R670 HydrophobicContact CB-CG 4.11Å; L593-R670 VanDerWaalsContact O-CZ 3.27Å; L593-R670 PolarHBondContact O-NE 3.28Å; L593-R670 PolarHBondContact O-NH2 3.1Å; N594-R670 PolarHBondContact O-NH2 3.36Å; N594-R670 WeakPolarHBondContact OD1-CD 3.43Å; N594-R670 PolarHBondContact OD1-NE 3Å; D597-R670 VanDerWaalsContact CG-NH1 3.31Å; D597-R670 IonicContact OD1-CZ 2.68Å; D597-R670 VanDerWaalsContact OD1-CZ 3.31Å; D597-R670 IonicContact OD1-NH1 3.61Å; D597-R670 PolarHBondContact OD1-NH1 3.04Å; D597-R670 IonicContact OD1-NH2 2.78Å; D597-R670 PolarHBondContact OD1-NH2 3.31Å; D597-R670 IonicContact OD2-CZ 3.86Å; D597-R670 IonicContact OD2-NH1 3.76Å; D597-R670 PolarHBondContact OD2-NH1 3.38Å; D597-R670 IonicContact OD2-NH2 3.9Å; D597-R670 PolarHBondContact OD2-NH2 3.48Å; D597-R670 VanDerWaalsContact OD2-NH2 3.13Å; F666-R670 VanDerWaalsContact O-CB 3.27Å; F666-R670 WeakPolarHBondContact O-CB 3.49Å; F666-R670 PolarHBondContact O-N 3.45Å; V667-R670 WeakPolarHBondContact O-CB 3.33Å; V667-R670 PolarHBondContact O-N 2.88Å; V668-R670 PolarHBondContact O-N 3.45Å; R670-V672 VanDerWaalsContact C-N 3.3Å; R670-T673 PolarHBondContact O-N 2.96Å; R670-N674 PolarHBondContact O-N 3.48Å; R670-A677 HydrophobicContact CG-CB 4.47Å
671I87Confident82.6Confident4 Ų441.6 Ų41.62%0.02123%0.231CC..Hα-helixtrans-67.7-34.2174.4-62.2162000110.9V667 V668 N674 K675 A677 I678 V681 V718 L722V667-I671 HydrophobicContact CG1-CD1 3.77Å; V667-I671 HydrophobicContact CG1-CG1 4.37Å; V667-I671 VanDerWaalsContact O-CG1 3.27Å; V667-I671 WeakPolarHBondContact O-CG1 3.28Å; V667-I671 PolarHBondContact O-N 2.92Å; V668-I671 PolarHBondContact O-N 2.97Å; I671-N674 WeakPolarHBondContact CA-O 3.37Å; I671-N674 CarbonylContact O-C 3.58Å; I671-N674 PolarHBondContact O-N 3.21Å; I671-K675 PolarHBondContact O-N 3.4Å; I671-A677 HydrophobicContact CG1-CB 3.94Å; I671-I678 HydrophobicContact CG2-CB 4.04Å; I671-I678 HydrophobicContact CG2-CG1 4.47Å; I671-V681 HydrophobicContact CD1-CG2 3.86Å; I671-V718 HydrophobicContact CB-CG1 3.94Å; I671-V718 HydrophobicContact CB-CG2 4.39Å; I671-V718 HydrophobicContact CD1-CG1 4.39Å; I671-V718 HydrophobicContact CG2-CB 4.4Å; I671-V718 HydrophobicContact CG2-CG1 3.73Å; I671-V718 HydrophobicContact CG2-CG2 3.76Å; I671-L722 HydrophobicContact CD1-CD2 4.1Å
672V89.2Confident83.1Confident42 Ų4242.6 Ų42.626%0.25524%0.24SC..Hα-helixtrans-62.1-45.8173.8169.60000110.7V668 Q669 R670 S714 K715 V718V668-V672 WeakPolarHBondContact O-CG2 3.39Å; V668-V672 PolarHBondContact O-N 3.25Å; Q669-V672 WeakPolarHBondContact O-CB 3.49Å; Q669-V672 PolarHBondContact O-N 3.47Å; R670-V672 VanDerWaalsContact C-N 3.3Å; V672-S714 VanDerWaalsContact CG1-OG 3.29Å; V672-S714 WeakPolarHBondContact CG1-OG 3.27Å; V672-K715 HydrophobicContact CG2-CB 4.13Å; V672-K715 HydrophobicContact CG2-CG 4.36Å; V672-V718 HydrophobicContact CG2-CB 4.13Å; V672-V718 HydrophobicContact CG2-CG2 3.68Å
673T86.9Confident83.3Confident104 Ų10441.7 Ų41.764%0.63823%0.229SC*.Hα-helixtrans-66.1-44.9175.7-52.20000112Q669 R670Q669-T673 PolarHBondContact O-N 3.32Å; Q669-T673 PolarHBondContact O-OG1 2.98Å; Q669-T673 VanDerWaalsContact O-OG1 3.13Å; R670-T673 PolarHBondContact O-N 2.96Å
674N83.9Confident83.2Confident15 Ų1541.7 Ų41.78%0.0823%0.227CC..  trans-133.5104-177.1-172-22.3000111.1D597 S600 R670 I671 A676 A677D597-N674 PolarHBondContact OD1-ND2 3Å; S600-N674 WeakPolarHBondContact CB-ND2 3.07Å; S600-N674 PolarHBondContact OG-ND2 3.23Å; S600-N674 PolarHBondContact OG-OD1 3.48Å; R670-N674 PolarHBondContact O-N 3.48Å; I671-N674 WeakPolarHBondContact CA-O 3.37Å; I671-N674 CarbonylContact O-C 3.58Å; I671-N674 PolarHBondContact O-N 3.21Å; N674-A676 PolarHBondContact O-N 2.82Å; N674-A676 VanDerWaalsContact O-N 3.08Å; N674-A676 VanDerWaalsContact OD1-CB 3.24Å; N674-A676 WeakPolarHBondContact OD1-CB 3.36Å; N674-A676 PolarHBondContact OD1-N 3.38Å; N674-A677 VanDerWaalsContact O-CB 3.3Å; N674-A677 WeakPolarHBondContact O-CB 3.43Å; N674-A677 PolarHBondContact O-N 2.66Å
675K84.7Confident83.1Confident148 Ų14841.1 Ų41.164%0.64322%0.224SC*.THydrogen-bonded Turntrans-58.9-23.6-178.6-68178-178.2172.30113.1I671 A677 I678I671-K675 PolarHBondContact O-N 3.4Å; K675-A677 PolarHBondContact O-N 3.36Å; K675-I678 WeakPolarHBondContact O-CG2 3.41Å; K675-I678 PolarHBondContact O-N 2.88Å
676A80.6Confident82.6Confident35 Ų3541.6 Ų41.629%0.28924%0.237SC..THydrogen-bonded Turntrans-67.6-23.5177.800000112.8N674 I678 S679N674-A676 PolarHBondContact O-N 2.82Å; N674-A676 VanDerWaalsContact O-N 3.08Å; N674-A676 VanDerWaalsContact OD1-CB 3.24Å; N674-A676 WeakPolarHBondContact OD1-CB 3.36Å; N674-A676 PolarHBondContact OD1-N 3.38Å; A676-I678 PolarHBondContact O-N 3.2Å; A676-I678 VanDerWaalsContact O-N 3.12Å; A676-S679 WeakPolarHBondContact O-CB 3.37Å; A676-S679 PolarHBondContact O-N 2.68Å; A676-S679 VanDerWaalsContact O-N 3.12Å
677A81.1Confident82Confident2 Ų240.6 Ų40.62%0.01723%0.234CC..Hα-helixtrans-62-20.5176.800000112.9L596 R670 I671 N674 K675 S679 L680 V681L596-A677 HydrophobicContact CD1-CB 3.65Å; R670-A677 HydrophobicContact CG-CB 4.47Å; I671-A677 HydrophobicContact CG1-CB 3.94Å; N674-A677 VanDerWaalsContact O-CB 3.3Å; N674-A677 WeakPolarHBondContact O-CB 3.43Å; N674-A677 PolarHBondContact O-N 2.66Å; K675-A677 PolarHBondContact O-N 3.36Å; A677-S679 PolarHBondContact O-N 3.21Å; A677-L680 WeakPolarHBondContact O-CB 3.37Å; A677-L680 PolarHBondContact O-N 2.99Å; A677-L680 VanDerWaalsContact O-N 3.1Å; A677-V681 PolarHBondContact O-N 2.97Å
678I84.6Confident81.7Confident31 Ų3148.9 Ų48.916%0.15926%0.264CS..Hα-helixtrans-62-33.9176.3-156.2168.5000112.1I671 K675 A676 L680 V681 S682 K721I671-I678 HydrophobicContact CG2-CB 4.04Å; I671-I678 HydrophobicContact CG2-CG1 4.47Å; K675-I678 WeakPolarHBondContact O-CG2 3.41Å; K675-I678 PolarHBondContact O-N 2.88Å; A676-I678 PolarHBondContact O-N 3.2Å; A676-I678 VanDerWaalsContact O-N 3.12Å; I678-L680 PolarHBondContact O-N 3.4Å; I678-V681 PolarHBondContact O-N 3.3Å; I678-V681 VanDerWaalsContact O-N 3.07Å; I678-S682 PolarHBondContact O-N 2.85Å; I678-S682 PolarHBondContact O-OG 3.37Å; I678-K721 HydrophobicContact CD1-CB 3.45Å; I678-K721 VanDerWaalsContact CD1-CB 3.45Å; I678-K721 HydrophobicContact CD1-CD 3.83Å; I678-K721 HydrophobicContact CD1-CG 4.27Å
679S77.9Confident80.9Confident66 Ų6651.4 Ų51.446%0.46228%0.282SS..Hα-helixtrans-60.9-32.8176.8-59.20000111.5A676 A677 S682 L683A676-S679 WeakPolarHBondContact O-CB 3.37Å; A676-S679 PolarHBondContact O-N 2.68Å; A676-S679 VanDerWaalsContact O-N 3.12Å; A677-S679 PolarHBondContact O-N 3.21Å; S679-S682 WeakPolarHBondContact O-CB 3.44Å; S679-S682 PolarHBondContact O-N 3.48Å; S679-L683 WeakPolarHBondContact O-CG 3.41Å; S679-L683 PolarHBondContact O-N 3.1Å; S679-L683 VanDerWaalsContact O-N 3.14Å
680L75.9Confident80.2Confident4 Ų445.5 Ų45.52%0.02125%0.254CS..Hα-helixtrans-72.1-32.6177-60.3-179.3000112.5L593 L596 L623 F626 A677 I678 L683 L684L593-L680 HydrophobicContact CD2-CB 4.3Å; L593-L680 HydrophobicContact CD2-CD1 3.49Å; L593-L680 VanDerWaalsContact CD2-CD1 3.49Å; L596-L680 HydrophobicContact CD1-CD1 3.41Å; L596-L680 VanDerWaalsContact CD1-CD1 3.41Å; L596-L680 HydrophobicContact CD1-CG 4.34Å; L596-L680 HydrophobicContact CD2-CD1 4.16Å; L596-L680 HydrophobicContact CG-CD1 3.96Å; L623-L680 HydrophobicContact CD2-CD2 3.66Å; F626-L680 HydrophobicContact CD1-CD1 3.67Å; F626-L680 HydrophobicContact CD1-CD2 3.77Å; F626-L680 HydrophobicContact CD1-CG 4.23Å; F626-L680 HydrophobicContact CE1-CB 4.49Å; F626-L680 HydrophobicContact CE1-CD1 3.63Å; F626-L680 HydrophobicContact CE1-CD2 4.42Å; F626-L680 HydrophobicContact CE1-CG 4.41Å; A677-L680 WeakPolarHBondContact O-CB 3.37Å; A677-L680 PolarHBondContact O-N 2.99Å; A677-L680 VanDerWaalsContact O-N 3.1Å; I678-L680 PolarHBondContact O-N 3.4Å; L680-L683 HydrophobicContact CD2-CD1 3.87Å; L680-L683 WeakPolarHBondContact O-CB 3.38Å; L680-L683 PolarHBondContact O-N 2.99Å; L680-L684 PolarHBondContact O-N 3.39Å
681V80Confident80.1Confident4 Ų445 Ų452%0.02425%0.253CS..Hα-helixtrans-69.6-36.4170.8-174.80000110.6V667 I671 A677 I678 L683 L684 F685 M698 L722 L725V667-V681 HydrophobicContact CG1-CG2 3.76Å; I671-V681 HydrophobicContact CD1-CG2 3.86Å; A677-V681 PolarHBondContact O-N 2.97Å; I678-V681 PolarHBondContact O-N 3.3Å; I678-V681 VanDerWaalsContact O-N 3.07Å; V681-L683 PolarHBondContact O-N 3.29Å; V681-L684 VanDerWaalsContact O-CB 3.31Å; V681-L684 WeakPolarHBondContact O-CB 3.39Å; V681-L684 PolarHBondContact O-N 2.98Å; V681-L684 VanDerWaalsContact O-N 3.11Å; V681-F685 HydrophobicContact CG1-CD2 4.32Å; V681-F685 HydrophobicContact CG1-CE2 4.13Å; V681-F685 WeakPolarHBondContact O-CD2 3.13Å; V681-F685 PolarHBondContact O-N 3.41Å; V681-M698 HydrophobicContact CG1-CE 3.8Å; V681-L722 HydrophobicContact CG1-CD2 4.16Å; V681-L725 HydrophobicContact CB-CD2 4.14Å; V681-L725 HydrophobicContact CG1-CD2 3.72Å
682S82.5Confident80Confident45 Ų4546.3 Ų46.332%0.31526%0.263SS..Hα-helixtrans-60.6-35.4173.5-54.10000112.5I678 S679 L684 F685 A686 L725I678-S682 PolarHBondContact O-N 2.85Å; I678-S682 PolarHBondContact O-OG 3.37Å; S679-S682 WeakPolarHBondContact O-CB 3.44Å; S679-S682 PolarHBondContact O-N 3.48Å; S682-L684 VanDerWaalsContact C-N 3.32Å; S682-L684 PolarHBondContact O-N 3.23Å; S682-F685 PolarHBondContact O-N 3.26Å; S682-A686 PolarHBondContact O-N 3.17Å; S682-A686 VanDerWaalsContact O-N 3.08Å; S682-L725 WeakPolarHBondContact OG-CD1 3.46Å
683L75.2Confident79.5Confident54 Ų5446.1 Ų46.128%0.28326%0.26SS..Hα-helixtrans-64.9-33.6175.1-67.2171.4000112.8S679 L680 V681 F685 A686S679-L683 WeakPolarHBondContact O-CG 3.41Å; S679-L683 PolarHBondContact O-N 3.1Å; S679-L683 VanDerWaalsContact O-N 3.14Å; L680-L683 HydrophobicContact CD2-CD1 3.87Å; L680-L683 WeakPolarHBondContact O-CB 3.38Å; L680-L683 PolarHBondContact O-N 2.99Å; V681-L683 PolarHBondContact O-N 3.29Å; L683-F685 VanDerWaalsContact C-N 3.33Å; L683-A686 WeakPolarHBondContact O-CB 3.48Å; L683-A686 PolarHBondContact O-N 2.93Å
684L74.9Confident79.2Confident25 Ų2542.5 Ų42.513%0.13124%0.237CC..Hα-helixtrans-61.8-42.2173.5-79.6171000111.6V630 L680 V681 S682 A686 N687 I694V630-L684 HydrophobicContact CG1-CD2 3.22Å; V630-L684 HydrophobicContact CG1-CG 3.63Å; L680-L684 PolarHBondContact O-N 3.39Å; V681-L684 VanDerWaalsContact O-CB 3.31Å; V681-L684 WeakPolarHBondContact O-CB 3.39Å; V681-L684 PolarHBondContact O-N 2.98Å; V681-L684 VanDerWaalsContact O-N 3.11Å; S682-L684 VanDerWaalsContact C-N 3.32Å; S682-L684 PolarHBondContact O-N 3.23Å; L684-A686 VanDerWaalsContact C-N 3.33Å; L684-N687 PolarHBondContact O-N 3.48Å; L684-I694 HydrophobicContact CB-CD1 3.7Å; L684-I694 HydrophobicContact CD1-CD1 4.41Å; L684-I694 HydrophobicContact CD2-CD1 3.77Å; L684-I694 HydrophobicContact CG-CD1 4.19Å
685F80.9Confident79.4Confident10 Ų1041.8 Ų41.84%0.04423%0.233CC..Hα-helixtrans-71.6-26177.6-81.3-78.9000113.6V681 S682 L683 N687 S691 I694 M695 M698 L725 T729V681-F685 HydrophobicContact CG1-CD2 4.32Å; V681-F685 HydrophobicContact CG1-CE2 4.13Å; V681-F685 WeakPolarHBondContact O-CD2 3.13Å; V681-F685 PolarHBondContact O-N 3.41Å; S682-F685 PolarHBondContact O-N 3.26Å; L683-F685 VanDerWaalsContact C-N 3.33Å; F685-N687 PolarHBondContact O-N 3.29Å; F685-S691 PolarHBondContact O-OG 3.26Å; F685-S691 VanDerWaalsContact O-OG 3.08Å; F685-I694 HydrophobicContact CD2-CG2 4.47Å; F685-I694 HydrophobicContact CE1-CG2 4.17Å; F685-I694 HydrophobicContact CE2-CG2 3.94Å; F685-I694 HydrophobicContact CZ-CG2 3.78Å; F685-M695 HydrophobicContact CE1-CB 3.96Å; F685-M695 HydrophobicContact CE1-CG 4.47Å; F685-M698 HydrophobicContact CZ-CB 4.44Å; F685-L725 HydrophobicContact CD2-CD2 3.64Å; F685-L725 HydrophobicContact CD2-CG 3.79Å; F685-L725 HydrophobicContact CE2-CD2 3.84Å; F685-L725 HydrophobicContact CE2-CG 4.06Å; F685-L725 HydrophobicContact CG-CG 4.49Å; F685-T729 HydrophobicContact CB-CG2 3.75Å; F685-T729 HydrophobicContact CD1-CG2 3.67Å; F685-T729 HydrophobicContact CG-CG2 3.9Å
686A76.6Confident79.3Confident79 Ų7936.1 Ų36.165%0.65321%0.212SC*.Hα-helixtrans-64.7-22175.100000112.5S682 L683 L684 R688S682-A686 PolarHBondContact O-N 3.17Å; S682-A686 VanDerWaalsContact O-N 3.08Å; L683-A686 WeakPolarHBondContact O-CB 3.48Å; L683-A686 PolarHBondContact O-N 2.93Å; L684-A686 VanDerWaalsContact C-N 3.33Å; A686-R688 PolarHBondContact O-N 3.49Å
687N73.2Confident79.5Confident29 Ų2934.8 Ų34.816%0.15520%0.2CC..  trans-80.6102.5176-168-24.2000111.7N631 L684 F685 S689 I690 S691N631-N687 PolarHBondContact OD1-ND2 2.95Å; N631-N687 VanDerWaalsContact OD1-ND2 3.14Å; L684-N687 PolarHBondContact O-N 3.48Å; F685-N687 PolarHBondContact O-N 3.29Å; N687-S689 PolarHBondContact O-N 2.9Å; N687-S689 VanDerWaalsContact O-N 3.15Å; N687-S689 PolarHBondContact OD1-N 3.05Å; N687-S689 PolarHBondContact OD1-OG 2.97Å; N687-I690 PolarHBondContact O-N 3.1Å; N687-S691 WeakPolarHBondContact O-CB 2.99Å; N687-S691 PolarHBondContact O-N 2.79Å
688R78.6Confident79.8Confident185 Ų18534.9 Ų34.970%0.69820%0.2SC*.THydrogen-bonded Turntrans-58.6-28.9-174.3-159.1179.5-159-135.24.7114.2A686 I690A686-R688 PolarHBondContact O-N 3.49Å; R688-I690 VanDerWaalsContact C-N 3.29Å; R688-I690 PolarHBondContact O-N 3.24Å
689S72.6Confident80.1Confident55 Ų5533.4 Ų33.439%0.38519%0.193SC..THydrogen-bonded Turntrans-72.2-25.3-176.2670000113Q638 N687Q638-S689 PolarHBondContact OE1-OG 2.68Å; Q638-S689 VanDerWaalsContact OE1-OG 3.05Å; N687-S689 PolarHBondContact O-N 2.9Å; N687-S689 VanDerWaalsContact O-N 3.15Å; N687-S689 PolarHBondContact OD1-N 3.05Å; N687-S689 PolarHBondContact OD1-OG 2.97Å
690I72.8Confident80.6Confident3 Ų332 Ų322%0.01518%0.18CC..THydrogen-bonded Turntrans-125.7-11.5-168.8-65.2148.4000112.4S634 Q638 N687 R688 S692 L693 I694S634-I690 WeakPolarHBondContact O-CD1 3.4Å; S634-I690 WeakPolarHBondContact OG-CB 3.48Å; S634-I690 WeakPolarHBondContact OG-CD1 3.19Å; S634-I690 VanDerWaalsContact OG-CG2 3.31Å; S634-I690 WeakPolarHBondContact OG-CG2 3.18Å; Q638-I690 HydrophobicContact CB-CD1 3.96Å; Q638-I690 HydrophobicContact CB-CG1 3.91Å; Q638-I690 HydrophobicContact CG-CG1 4.31Å; N687-I690 PolarHBondContact O-N 3.1Å; R688-I690 VanDerWaalsContact C-N 3.29Å; R688-I690 PolarHBondContact O-N 3.24Å; I690-S692 PolarHBondContact O-N 3.35Å; I690-S692 VanDerWaalsContact O-N 3.07Å; I690-L693 HydrophobicContact CG2-CB 4.33Å; I690-L693 HydrophobicContact CG2-CD2 4.33Å; I690-L693 WeakPolarHBondContact O-CB 3.46Å; I690-L693 PolarHBondContact O-N 2.86Å; I690-I694 HydrophobicContact CG2-CD1 3.74Å; I690-I694 HydrophobicContact CG2-CG1 3.78Å; I690-I694 PolarHBondContact O-N 2.91Å
691S83.3Confident81.2Confident4 Ų432 Ų323%0.02818%0.18CC..Hα-helixtrans-42.1-45.7173.4-162.60000112.5F685 N687 I694 M695 N736F685-S691 PolarHBondContact O-OG 3.26Å; F685-S691 VanDerWaalsContact O-OG 3.08Å; N687-S691 WeakPolarHBondContact O-CB 2.99Å; N687-S691 PolarHBondContact O-N 2.79Å; S691-I694 PolarHBondContact O-N 3.1Å; S691-M695 WeakPolarHBondContact O-CB 3.31Å; S691-M695 PolarHBondContact O-N 3.47Å; S691-N736 PolarHBondContact OG-ND2 2.95Å
692S83.9Confident81.8Confident32 Ų3231.8 Ų31.822%0.22418%0.179CC..Hα-helixtrans-68-38.5-179.562.40000114.2I690 S696 N736I690-S692 PolarHBondContact O-N 3.35Å; I690-S692 VanDerWaalsContact O-N 3.07Å; S692-S696 WeakPolarHBondContact O-CB 3.36Å; S692-S696 PolarHBondContact O-N 3.25Å; S692-N736 WeakPolarHBondContact CA-OD1 3.17Å; S692-N736 WeakPolarHBondContact CB-OD1 3.4Å; S692-N736 PolarHBondContact N-OD1 3.37Å
693L79.4Confident82.1Confident38 Ų3830.2 Ų30.220%0.19917%0.169CC..Hα-helixtrans-64.8-47.5174.7177.968.7000110.1I637 V641 I690 M695 S696 V697I637-L693 HydrophobicContact CG2-CD2 3.68Å; V641-L693 HydrophobicContact CG2-CD2 4.08Å; I690-L693 HydrophobicContact CG2-CB 4.33Å; I690-L693 HydrophobicContact CG2-CD2 4.33Å; I690-L693 WeakPolarHBondContact O-CB 3.46Å; I690-L693 PolarHBondContact O-N 2.86Å; L693-M695 VanDerWaalsContact C-N 3.32Å; L693-M695 PolarHBondContact O-N 3.29Å; L693-S696 PolarHBondContact O-N 3.4Å; L693-V697 WeakPolarHBondContact O-CG2 3.48Å; L693-V697 PolarHBondContact O-N 3.44Å
694I81.2Confident82.8Confident28 Ų2833 Ų3314%0.14418%0.181CC..Hα-helixtrans-65-40.9179.9-65.1177.8000110.4L684 F685 I690 S691 S696 V697 M698L684-I694 HydrophobicContact CB-CD1 3.7Å; L684-I694 HydrophobicContact CD1-CD1 4.41Å; L684-I694 HydrophobicContact CD2-CD1 3.77Å; L684-I694 HydrophobicContact CG-CD1 4.19Å; F685-I694 HydrophobicContact CD2-CG2 4.47Å; F685-I694 HydrophobicContact CE1-CG2 4.17Å; F685-I694 HydrophobicContact CE2-CG2 3.94Å; F685-I694 HydrophobicContact CZ-CG2 3.78Å; I690-I694 HydrophobicContact CG2-CD1 3.74Å; I690-I694 HydrophobicContact CG2-CG1 3.78Å; I690-I694 PolarHBondContact O-N 2.91Å; S691-I694 PolarHBondContact O-N 3.1Å; I694-S696 VanDerWaalsContact C-N 3.33Å; I694-S696 PolarHBondContact O-N 3.34Å; I694-V697 PolarHBondContact O-N 2.95Å; I694-M698 WeakPolarHBondContact O-CB 3.45Å; I694-M698 PolarHBondContact O-N 3.11Å
695M86.7Confident83.4Confident0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-59.3-45174.5-170.5174.2-16800111.6F685 S691 L693 M698 L699 C726 V730 N736 V739 F740F685-M695 HydrophobicContact CE1-CB 3.96Å; F685-M695 HydrophobicContact CE1-CG 4.47Å; S691-M695 WeakPolarHBondContact O-CB 3.31Å; S691-M695 PolarHBondContact O-N 3.47Å; L693-M695 VanDerWaalsContact C-N 3.32Å; L693-M695 PolarHBondContact O-N 3.29Å; M695-M698 PolarHBondContact O-N 3.23Å; M695-L699 HydrophobicContact CE-CD1 3.82Å; M695-L699 HydrophobicContact CG-CD1 3.89Å; M695-L699 HydrophobicContact CG-CG 4.21Å; M695-L699 VanDerWaalsContact O-CB 3.28Å; M695-L699 WeakPolarHBondContact O-CB 3.34Å; M695-L699 VanDerWaalsContact O-CG 3.29Å; M695-L699 WeakPolarHBondContact O-CG 3.27Å; M695-L699 PolarHBondContact O-N 3.07Å; M695-C726 HydrophobicContact CE-CB 4.44Å; M695-C726 WeakPolarHBondContact CE-O 3.2Å; M695-V730 HydrophobicContact CE-CG2 3.59Å; M695-N736 HydrophobicContact SD-CB 3.7Å; M695-V739 HydrophobicContact CB-CG1 4.36Å; M695-V739 HydrophobicContact CG-CG1 4.22Å; M695-F740 HydrophobicContact CE-CB 3.63Å; M695-F740 HydrophobicContact CE-CD2 4.04Å; M695-F740 HydrophobicContact CE-CG 4.12Å
696S84.5Confident83.9Confident29 Ų2934.2 Ų34.220%0.20319%0.188CC..Hα-helixtrans-61.7-48.5179-179.60000111.6S692 L693 I694 N700S692-S696 WeakPolarHBondContact O-CB 3.36Å; S692-S696 PolarHBondContact O-N 3.25Å; L693-S696 PolarHBondContact O-N 3.4Å; I694-S696 VanDerWaalsContact C-N 3.33Å; I694-S696 PolarHBondContact O-N 3.34Å; S696-N700 WeakPolarHBondContact O-CB 3.22Å; S696-N700 PolarHBondContact O-N 2.95Å
697V83.6Confident84.5Confident7 Ų735.9 Ų35.94%0.04219%0.186CC..Hα-helixtrans-65.2-46.6178.9-179.30000110.8F657 L660 L664 L693 I694 N700 Y701F657-V697 HydrophobicContact CD1-CG2 3.91Å; F657-V697 HydrophobicContact CE1-CG2 3.65Å; F657-V697 HydrophobicContact CZ-CG2 4.42Å; L660-V697 HydrophobicContact CB-CG1 3.79Å; L660-V697 HydrophobicContact CB-CG2 4.43Å; L660-V697 HydrophobicContact CD1-CG2 3.97Å; L664-V697 HydrophobicContact CD1-CG1 3.72Å; L693-V697 WeakPolarHBondContact O-CG2 3.48Å; L693-V697 PolarHBondContact O-N 3.44Å; I694-V697 PolarHBondContact O-N 2.95Å; V697-N700 PolarHBondContact O-N 3.1Å; V697-Y701 WeakPolarHBondContact O-CB 3.14Å; V697-Y701 PolarHBondContact O-N 3.31Å
698M87.8Confident85.3Confident4 Ų436 Ų362%0.0219%0.188CC..Hα-helixtrans-64.6-44.5-178.2-172.571.883.300111.7L664 V681 F685 I694 M695 N700 Y701 L702 L722 C726L664-M698 HydrophobicContact CD1-SD 4.23Å; L664-M698 HydrophobicContact CD2-CE 3.84Å; L664-M698 HydrophobicContact CD2-SD 4Å; V681-M698 HydrophobicContact CG1-CE 3.8Å; F685-M698 HydrophobicContact CZ-CB 4.44Å; I694-M698 WeakPolarHBondContact O-CB 3.45Å; I694-M698 PolarHBondContact O-N 3.11Å; M695-M698 PolarHBondContact O-N 3.23Å; M698-N700 VanDerWaalsContact C-N 3.33Å; M698-N700 PolarHBondContact O-N 3.13Å; M698-Y701 PolarHBondContact O-N 3.09Å; M698-L702 HydrophobicContact CG-CD1 3.87Å; M698-L702 HydrophobicContact CG-CG 4.29Å; M698-L702 WeakPolarHBondContact O-CB 3.4Å; M698-L702 WeakPolarHBondContact O-CG 3.26Å; M698-L702 PolarHBondContact O-N 3.09Å; M698-L702 HydrophobicContact SD-CD1 4.42Å; M698-L702 HydrophobicContact SD-CG 4.42Å; M698-L722 HydrophobicContact CE-CD2 3.95Å; M698-L722 HydrophobicContact SD-CB 4.48Å; M698-L722 HydrophobicContact SD-CD1 4.15Å; M698-L722 HydrophobicContact SD-CD2 4.41Å; M698-C726 WeakPolarHBondContact CG-SG 3.36Å
699L90.8Very high85.8Confident1 Ų127.2 Ų27.21%0.00516%0.155CC..Hα-helixtrans-68.2-33.1177.2-71.2-177.3000112.4M695 G703 F723 C726 F740 H743 L747M695-L699 HydrophobicContact CE-CD1 3.82Å; M695-L699 HydrophobicContact CG-CD1 3.89Å; M695-L699 HydrophobicContact CG-CG 4.21Å; M695-L699 VanDerWaalsContact O-CB 3.28Å; M695-L699 WeakPolarHBondContact O-CB 3.34Å; M695-L699 VanDerWaalsContact O-CG 3.29Å; M695-L699 WeakPolarHBondContact O-CG 3.27Å; M695-L699 PolarHBondContact O-N 3.07Å; L699-G703 PolarHBondContact O-N 3.08Å; L699-F723 HydrophobicContact CD2-CD1 4.25Å; L699-F723 HydrophobicContact CD2-CE1 4.26Å; L699-C726 HydrophobicContact CD2-CB 3.81Å; L699-C726 HydrophobicContact CG-CB 4.35Å; L699-F740 HydrophobicContact CD1-CD2 4.1Å; L699-H743 HydrophobicContact CB-CB 4.45Å; L699-H743 HydrophobicContact CD1-CB 4.14Å; L699-L747 HydrophobicContact CD2-CD1 4.06Å
700N87.5Confident86.5Confident35 Ų3526.2 Ų26.219%0.18715%0.149CC..Hα-helixtrans-65.5-50172.9-166.464.7000111.2S696 V697 M698 L702 G703 E704S696-N700 WeakPolarHBondContact O-CB 3.22Å; S696-N700 PolarHBondContact O-N 2.95Å; V697-N700 PolarHBondContact O-N 3.1Å; M698-N700 VanDerWaalsContact C-N 3.33Å; M698-N700 PolarHBondContact O-N 3.13Å; N700-L702 PolarHBondContact O-N 3.14Å; N700-G703 PolarHBondContact O-N 3.12Å; N700-E704 PolarHBondContact ND2-OE1 3.02Å; N700-E704 WeakPolarHBondContact O-CG 3.41Å; N700-E704 PolarHBondContact O-N 2.95Å
701Y89.7Confident87.1Confident5 Ų527.3 Ų27.32%0.0216%0.161CC..Hα-helixtrans-58.3-47.6177.5173.8-89.8000112.7L664 D665 V668 V697 M698 G703 E704 N705L664-Y701 HydrophobicContact CB-CD1 4.28Å; L664-Y701 HydrophobicContact CB-CD2 3.92Å; L664-Y701 HydrophobicContact CB-CE1 4.49Å; L664-Y701 HydrophobicContact CB-CE2 4.11Å; L664-Y701 HydrophobicContact CB-CG 4.01Å; L664-Y701 HydrophobicContact CD1-CD1 4.26Å; L664-Y701 HydrophobicContact CD1-CD2 4.28Å; L664-Y701 HydrophobicContact CD1-CG 3.75Å; D665-Y701 VanDerWaalsContact OD1-CE2 3.24Å; D665-Y701 WeakPolarHBondContact OD1-CE2 3.41Å; D665-Y701 VanDerWaalsContact OD1-CZ 3.32Å; D665-Y701 PolarHBondContact OD1-OH 3.04Å; V668-Y701 HydrophobicContact CG2-CE1 3.8Å; V697-Y701 WeakPolarHBondContact O-CB 3.14Å; V697-Y701 PolarHBondContact O-N 3.31Å; M698-Y701 PolarHBondContact O-N 3.09Å; Y701-G703 VanDerWaalsContact C-N 3.29Å; Y701-G703 PolarHBondContact O-N 3.14Å; Y701-E704 PolarHBondContact O-N 3.29Å; Y701-N705 WeakPolarHBondContact CE2-ND2 3.5Å; Y701-N705 WeakPolarHBondContact O-CB 3.42Å; Y701-N705 PolarHBondContact O-N 3.17Å; Y701-N705 PolarHBondContact O-ND2 3.12Å
702L92.5Very high87Confident0 Ų031.9 Ų31.90%019%0.189CC..Hα-helixtrans-67.6-31.7178.5-68.1173.5000112.1M698 N700 N705 I706 H719 L722 F723M698-L702 HydrophobicContact CG-CD1 3.87Å; M698-L702 HydrophobicContact CG-CG 4.29Å; M698-L702 WeakPolarHBondContact O-CB 3.4Å; M698-L702 WeakPolarHBondContact O-CG 3.26Å; M698-L702 PolarHBondContact O-N 3.09Å; M698-L702 HydrophobicContact SD-CD1 4.42Å; M698-L702 HydrophobicContact SD-CG 4.42Å; N700-L702 PolarHBondContact O-N 3.14Å; L702-N705 CarbonylContact O-C 3.57Å; L702-I706 PolarHBondContact O-N 2.8Å; L702-H719 HydrophobicContact CD2-CB 4.19Å; L702-L722 HydrophobicContact CD1-CB 3.94Å; L702-L722 HydrophobicContact CD2-CB 4.13Å; L702-L722 HydrophobicContact CD2-CD1 4.29Å; L702-F723 HydrophobicContact CB-CD2 4.42Å; L702-F723 HydrophobicContact CB-CE1 3.84Å; L702-F723 HydrophobicContact CB-CE2 3.75Å; L702-F723 HydrophobicContact CB-CZ 3.43Å; L702-F723 VanDerWaalsContact CB-CZ 3.43Å; L702-F723 HydrophobicContact CD1-CD1 3.94Å; L702-F723 HydrophobicContact CD1-CD2 4.1Å; L702-F723 HydrophobicContact CD1-CE1 4.1Å; L702-F723 HydrophobicContact CD1-CE2 4.26Å; L702-F723 HydrophobicContact CD1-CG 3.95Å; L702-F723 HydrophobicContact CD1-CZ 4.27Å; L702-F723 HydrophobicContact CD2-CE2 4.4Å; L702-F723 HydrophobicContact CG-CE2 4.37Å; L702-F723 HydrophobicContact CG-CZ 4.4Å
703G88.8Confident87.1Confident12 Ų1235.7 Ų35.712%0.12421%0.207CC..Hα-helixtrans-72.7-34.1176.300000113.4L699 N700 Y701L699-G703 PolarHBondContact O-N 3.08Å; N700-G703 PolarHBondContact O-N 3.12Å; Y701-G703 VanDerWaalsContact C-N 3.29Å; Y701-G703 PolarHBondContact O-N 3.14Å
704E88.5Confident87.5Confident111 Ų11137.2 Ų37.252%0.51922%0.221SC..Hα-helixtrans-73.9-35.3173.4-73.8175.4-17300111.9N700 Y701 I706N700-E704 PolarHBondContact ND2-OE1 3.02Å; N700-E704 WeakPolarHBondContact O-CG 3.41Å; N700-E704 PolarHBondContact O-N 2.95Å; Y701-E704 PolarHBondContact O-N 3.29Å; E704-I706 PolarHBondContact O-N 3.43Å
705N88.9Confident87.9Confident49 Ų4939.6 Ų39.626%0.26223%0.23SC..THydrogen-bonded Turntrans-96.831.2178.9-66.2-72.6000113.2Y701 L702 D707 V708Y701-N705 WeakPolarHBondContact CE2-ND2 3.5Å; Y701-N705 WeakPolarHBondContact O-CB 3.42Å; Y701-N705 PolarHBondContact O-N 3.17Å; Y701-N705 PolarHBondContact O-ND2 3.12Å; L702-N705 CarbonylContact O-C 3.57Å; N705-D707 VanDerWaalsContact C-N 3.26Å; N705-D707 PolarHBondContact O-N 3.34Å; N705-V708 HydrophobicContact CB-CG2 4.23Å; N705-V708 WeakPolarHBondContact O-CB 3.44Å; N705-V708 WeakPolarHBondContact O-CG2 3.38Å; N705-V708 PolarHBondContact O-N 3.48Å
706I90.6Very high88.1Confident13 Ų1339.6 Ų39.67%0.06723%0.23CC..G310 helixtrans-65-31.4-173-157.4173.5000112.8L702 E704 V708 L709 A750 T751 L754L702-I706 PolarHBondContact O-N 2.8Å; E704-I706 PolarHBondContact O-N 3.43Å; I706-V708 PolarHBondContact O-N 3.32Å; I706-V708 VanDerWaalsContact O-N 3.11Å; I706-L709 HydrophobicContact CG1-CD1 3.93Å; I706-L709 VanDerWaalsContact O-CB 3.31Å; I706-L709 WeakPolarHBondContact O-CB 3.39Å; I706-L709 WeakPolarHBondContact O-CG 3.42Å; I706-L709 PolarHBondContact O-N 3.24Å; I706-A750 HydrophobicContact CD1-CB 3.35Å; I706-T751 HydrophobicContact CD1-CG2 3.77Å; I706-L754 HydrophobicContact CG1-CD2 4.21Å; I706-L754 WeakPolarHBondContact O-CD2 3.41Å
707D90.2Very high88.3Confident113 Ų11340.7 Ų40.760%0.60424%0.238SC*.G310 helixtrans-61.7-22.3-178.4-61-42.6000112.8N705 L709 A710N705-D707 VanDerWaalsContact C-N 3.26Å; N705-D707 PolarHBondContact O-N 3.34Å; D707-L709 PolarHBondContact O-N 3.25Å; D707-L709 VanDerWaalsContact O-N 3.17Å; D707-A710 WeakPolarHBondContact O-CB 3.46Å; D707-A710 PolarHBondContact O-N 3.08Å
708V90.1Very high88.7Confident33 Ų3340.7 Ų40.720%0.224%0.238CC..G310 helixtrans-58.9-27.5173.8178.90000111.7N705 I706 A710 G711 K715 A716N705-V708 HydrophobicContact CB-CG2 4.23Å; N705-V708 WeakPolarHBondContact O-CB 3.44Å; N705-V708 WeakPolarHBondContact O-CG2 3.38Å; N705-V708 PolarHBondContact O-N 3.48Å; I706-V708 PolarHBondContact O-N 3.32Å; I706-V708 VanDerWaalsContact O-N 3.11Å; V708-A710 PolarHBondContact O-N 3.29Å; V708-G711 PolarHBondContact O-N 3.17Å; V708-K715 HydrophobicContact CG1-CB 4.31Å; V708-K715 HydrophobicContact CG1-CD 3.81Å; V708-K715 HydrophobicContact CG1-CG 3.8Å; V708-A716 WeakPolarHBondContact O-CB 3.36Å
709L89.3Confident89Confident0 Ų040.5 Ų40.50%024%0.237CC..G310 helixtrans-67.7-19.2177.3-63.3174.7000113.2I706 D707 G711 H719 V720 F723 L754 N763 V767I706-L709 HydrophobicContact CG1-CD1 3.93Å; I706-L709 VanDerWaalsContact O-CB 3.31Å; I706-L709 WeakPolarHBondContact O-CB 3.39Å; I706-L709 WeakPolarHBondContact O-CG 3.42Å; I706-L709 PolarHBondContact O-N 3.24Å; D707-L709 PolarHBondContact O-N 3.25Å; D707-L709 VanDerWaalsContact O-N 3.17Å; L709-G711 PolarHBondContact O-N 3.36Å; L709-H719 HydrophobicContact CD2-CB 3.77Å; L709-V720 HydrophobicContact CD2-CG2 3.71Å; L709-F723 HydrophobicContact CD1-CD2 4.48Å; L709-F723 HydrophobicContact CD1-CE2 3.98Å; L709-L754 HydrophobicContact CB-CD2 3.74Å; L709-N763 HydrophobicContact CB-CB 4.36Å; L709-N763 HydrophobicContact CD2-CB 4.45Å; L709-N763 VanDerWaalsContact O-CB 3.31Å; L709-N763 WeakPolarHBondContact O-CB 3.44Å; L709-N763 PolarHBondContact O-ND2 3.45Å; L709-V767 HydrophobicContact CD1-CG2 4Å; L709-V767 HydrophobicContact CD2-CG2 4.26Å
710A86.5Confident89Confident33 Ų3341 Ų4127%0.27324%0.24SC..G310 helixtrans-71.3-19.5176.700000112.9D707 V708 L754D707-A710 WeakPolarHBondContact O-CB 3.46Å; D707-A710 PolarHBondContact O-N 3.08Å; V708-A710 PolarHBondContact O-N 3.29Å; A710-L754 HydrophobicContact CB-CD1 4.1Å; A710-L754 HydrophobicContact CB-CG 4.49Å
711G84.9Confident89.2Confident26 Ų2643.1 Ų43.127%0.26825%0.248SC..SBendtrans-80.1163.2176.200000113.3V708 L709 A716 N763V708-G711 PolarHBondContact O-N 3.17Å; L709-G711 PolarHBondContact O-N 3.36Å; G711-A716 VanDerWaalsContact O-CB 3.28Å; G711-A716 WeakPolarHBondContact O-CB 3.35Å; G711-N763 PolarHBondContact O-ND2 3.28Å
712T81.9Confident89.4Confident101 Ų10142.9 Ų42.962%0.6225%0.247SC*.  trans-100.95.9174.251.10000112.9H760T712-H760 HydrophobicContact CG2-CB 3.93Å
713D86.8Confident89.5Confident112 Ų11243 Ų4360%0.59925%0.247SC*.SBendtrans-69.5162.8-176.6-62.7-34000113.4K715 A716 S717D713-K715 PolarHBondContact O-N 2.93Å; D713-K715 VanDerWaalsContact O-N 3.15Å; D713-A716 WeakPolarHBondContact O-CB 3.24Å; D713-A716 PolarHBondContact O-N 3.43Å; D713-S717 PolarHBondContact O-N 3.18Å
714S87.2Confident89.6Confident70 Ų7045.5 Ų45.549%0.4926%0.256SS..Hα-helixtrans-53.3-33.9170.954.20000112.7V672 A716 S717 V718V672-S714 VanDerWaalsContact CG1-OG 3.29Å; V672-S714 WeakPolarHBondContact CG1-OG 3.27Å; S714-A716 PolarHBondContact O-N 3.1Å; S714-S717 PolarHBondContact O-N 3.45Å; S714-V718 WeakPolarHBondContact O-CG2 3.48Å; S714-V718 PolarHBondContact O-N 3.34Å
715K89.8Confident89.7Confident77 Ų7741.4 Ų41.434%0.33524%0.238SC..Hα-helixtrans-60.7-41.5175.6-167.2-176.5177.3-177.30112.3V668 V672 V708 D713 V718 H719V668-K715 HydrophobicContact CG1-CG 4.23Å; V672-K715 HydrophobicContact CG2-CB 4.13Å; V672-K715 HydrophobicContact CG2-CG 4.36Å; V708-K715 HydrophobicContact CG1-CB 4.31Å; V708-K715 HydrophobicContact CG1-CD 3.81Å; V708-K715 HydrophobicContact CG1-CG 3.8Å; D713-K715 PolarHBondContact O-N 2.93Å; D713-K715 VanDerWaalsContact O-N 3.15Å; K715-V718 PolarHBondContact O-N 3.36Å; K715-H719 PolarHBondContact O-N 3.5Å; K715-H719 PolarHBondContact O-ND1 3.1Å
716A89.8Confident89.8Confident0 Ų039.1 Ų39.10%023%0.225CC..Hα-helixtrans-64.4-44.3177.500000110.9V708 G711 D713 S714 V718 H719 V720V708-A716 WeakPolarHBondContact O-CB 3.36Å; G711-A716 VanDerWaalsContact O-CB 3.28Å; G711-A716 WeakPolarHBondContact O-CB 3.35Å; D713-A716 WeakPolarHBondContact O-CB 3.24Å; D713-A716 PolarHBondContact O-N 3.43Å; S714-A716 PolarHBondContact O-N 3.1Å; A716-V718 VanDerWaalsContact C-N 3.29Å; A716-V718 PolarHBondContact O-N 3.02Å; A716-H719 PolarHBondContact O-N 2.93Å; A716-H719 VanDerWaalsContact O-N 3.12Å; A716-V720 WeakPolarHBondContact O-CG2 3.38Å; A716-V720 PolarHBondContact O-N 2.96Å
717S89.5Confident89.8Confident52 Ų5238.7 Ų38.736%0.36422%0.223SC..Hα-helixtrans-59.1-38.7174.9-173.70000112.6D713 S714 V720 K721D713-S717 PolarHBondContact O-N 3.18Å; S714-S717 PolarHBondContact O-N 3.45Å; S717-V720 PolarHBondContact O-N 3.26Å; S717-K721 WeakPolarHBondContact O-CG 3.5Å; S717-K721 PolarHBondContact O-N 3.12Å; S717-K721 VanDerWaalsContact O-N 3.07Å
718V91.6Very high89.7Confident8 Ų837.7 Ų37.75%0.04823%0.225CC..Hα-helixtrans-64.4-43.8174.6171.10000111.5V668 I671 V672 S714 K715 A716 V720 K721 L722V668-V718 HydrophobicContact CG1-CG1 4.42Å; I671-V718 HydrophobicContact CB-CG1 3.94Å; I671-V718 HydrophobicContact CB-CG2 4.39Å; I671-V718 HydrophobicContact CD1-CG1 4.39Å; I671-V718 HydrophobicContact CG2-CB 4.4Å; I671-V718 HydrophobicContact CG2-CG1 3.73Å; I671-V718 HydrophobicContact CG2-CG2 3.76Å; V672-V718 HydrophobicContact CG2-CB 4.13Å; V672-V718 HydrophobicContact CG2-CG2 3.68Å; S714-V718 WeakPolarHBondContact O-CG2 3.48Å; S714-V718 PolarHBondContact O-N 3.34Å; K715-V718 PolarHBondContact O-N 3.36Å; A716-V718 VanDerWaalsContact C-N 3.29Å; A716-V718 PolarHBondContact O-N 3.02Å; V718-V720 VanDerWaalsContact C-N 3.35Å; V718-V720 PolarHBondContact O-N 3.03Å; V718-K721 PolarHBondContact O-N 2.96Å; V718-L722 HydrophobicContact CG1-CD1 3.97Å; V718-L722 HydrophobicContact CG1-CG 4.27Å; V718-L722 WeakPolarHBondContact O-CG 3.29Å; V718-L722 PolarHBondContact O-N 3.24Å
719H93.3Very high89.5Confident0 Ų037.3 Ų37.30%022%0.223CC..Hα-helixtrans-61.6-43.4176.9-74.955.8000111.5L702 L709 K715 A716 K721 L722 F723L702-H719 HydrophobicContact CD2-CB 4.19Å; L709-H719 HydrophobicContact CD2-CB 3.77Å; K715-H719 PolarHBondContact O-N 3.5Å; K715-H719 PolarHBondContact O-ND1 3.1Å; A716-H719 PolarHBondContact O-N 2.93Å; A716-H719 VanDerWaalsContact O-N 3.12Å; H719-K721 VanDerWaalsContact C-N 3.31Å; H719-K721 PolarHBondContact O-N 3.26Å; H719-L722 PolarHBondContact O-N 3.09Å; H719-F723 VanDerWaalsContact O-CD2 3.31Å; H719-F723 WeakPolarHBondContact O-CD2 3.49Å; H719-F723 PolarHBondContact O-N 3.48Å
720V92.1Very high89.3Confident11 Ų1137.7 Ų37.77%0.06723%0.225CC..Hα-helixtrans-56.6-45.9174.7175.10000110.9L709 A716 S717 V718 F723 Q724 N763 V767L709-V720 HydrophobicContact CD2-CG2 3.71Å; A716-V720 WeakPolarHBondContact O-CG2 3.38Å; A716-V720 PolarHBondContact O-N 2.96Å; S717-V720 PolarHBondContact O-N 3.26Å; V718-V720 VanDerWaalsContact C-N 3.35Å; V718-V720 PolarHBondContact O-N 3.03Å; V720-F723 PolarHBondContact O-N 2.91Å; V720-Q724 WeakPolarHBondContact O-CG 3.35Å; V720-Q724 PolarHBondContact O-N 3.35Å; V720-N763 HydrophobicContact CG2-CB 3.81Å; V720-V767 HydrophobicContact CB-CG2 4.46Å; V720-V767 HydrophobicContact CG1-CG2 4.43Å; V720-V767 HydrophobicContact CG2-CG2 4.11Å
721K92.1Very high89Confident79 Ų7938 Ų3834%0.34323%0.231SC..Hα-helixtrans-67.9-36178.4-68.3-179.8179.6-172.40113.2I678 S717 V718 H719 Q724 L725I678-K721 HydrophobicContact CD1-CB 3.45Å; I678-K721 VanDerWaalsContact CD1-CB 3.45Å; I678-K721 HydrophobicContact CD1-CD 3.83Å; I678-K721 HydrophobicContact CD1-CG 4.27Å; S717-K721 WeakPolarHBondContact O-CG 3.5Å; S717-K721 PolarHBondContact O-N 3.12Å; S717-K721 VanDerWaalsContact O-N 3.07Å; V718-K721 PolarHBondContact O-N 2.96Å; H719-K721 VanDerWaalsContact C-N 3.31Å; H719-K721 PolarHBondContact O-N 3.26Å; K721-Q724 PolarHBondContact O-N 3.08Å; K721-L725 WeakPolarHBondContact O-CB 3.28Å; K721-L725 PolarHBondContact O-N 3.44Å
722L93.3Very high88.5Confident1 Ų139.4 Ų39.41%0.00525%0.246CC..Hα-helixtrans-68-38.4175.7-70.4174.9000111.7V668 I671 V681 M698 L702 V718 H719 L725 C726V668-L722 HydrophobicContact CG2-CD1 3.85Å; I671-L722 HydrophobicContact CD1-CD2 4.1Å; V681-L722 HydrophobicContact CG1-CD2 4.16Å; M698-L722 HydrophobicContact CE-CD2 3.95Å; M698-L722 HydrophobicContact SD-CB 4.48Å; M698-L722 HydrophobicContact SD-CD1 4.15Å; M698-L722 HydrophobicContact SD-CD2 4.41Å; L702-L722 HydrophobicContact CD1-CB 3.94Å; L702-L722 HydrophobicContact CD2-CB 4.13Å; L702-L722 HydrophobicContact CD2-CD1 4.29Å; V718-L722 HydrophobicContact CG1-CD1 3.97Å; V718-L722 HydrophobicContact CG1-CG 4.27Å; V718-L722 WeakPolarHBondContact O-CG 3.29Å; V718-L722 PolarHBondContact O-N 3.24Å; H719-L722 PolarHBondContact O-N 3.09Å; L722-L725 PolarHBondContact O-N 2.74Å; L722-C726 PolarHBondContact O-N 3Å; L722-C726 PolarHBondContact O-SG 3.3Å
723F94.2Very high88.2Confident1 Ų135.1 Ų35.10%0.00422%0.22CC..Hα-helixtrans-59.2-50.7168.6-87.9-64.8000110.8L699 L702 L709 H719 V720 L725 C726 L727 L747 V767L699-F723 HydrophobicContact CD2-CD1 4.25Å; L699-F723 HydrophobicContact CD2-CE1 4.26Å; L702-F723 HydrophobicContact CB-CD2 4.42Å; L702-F723 HydrophobicContact CB-CE1 3.84Å; L702-F723 HydrophobicContact CB-CE2 3.75Å; L702-F723 HydrophobicContact CB-CZ 3.43Å; L702-F723 VanDerWaalsContact CB-CZ 3.43Å; L702-F723 HydrophobicContact CD1-CD1 3.94Å; L702-F723 HydrophobicContact CD1-CD2 4.1Å; L702-F723 HydrophobicContact CD1-CE1 4.1Å; L702-F723 HydrophobicContact CD1-CE2 4.26Å; L702-F723 HydrophobicContact CD1-CG 3.95Å; L702-F723 HydrophobicContact CD1-CZ 4.27Å; L702-F723 HydrophobicContact CD2-CE2 4.4Å; L702-F723 HydrophobicContact CG-CE2 4.37Å; L702-F723 HydrophobicContact CG-CZ 4.4Å; L709-F723 HydrophobicContact CD1-CD2 4.48Å; L709-F723 HydrophobicContact CD1-CE2 3.98Å; H719-F723 VanDerWaalsContact O-CD2 3.31Å; H719-F723 WeakPolarHBondContact O-CD2 3.49Å; H719-F723 PolarHBondContact O-N 3.48Å; V720-F723 PolarHBondContact O-N 2.91Å; F723-L725 PolarHBondContact O-N 3.33Å; F723-C726 PolarHBondContact O-N 3.48Å; F723-L727 WeakPolarHBondContact O-CB 3.34Å; F723-L727 WeakPolarHBondContact O-CG 3.36Å; F723-L727 PolarHBondContact O-N 3.07Å; F723-L747 HydrophobicContact CE1-CD1 4.22Å; F723-L747 HydrophobicContact CE1-CD2 3.8Å; F723-L747 HydrophobicContact CZ-CD2 4.07Å; F723-V767 HydrophobicContact CB-CG1 4.08Å; F723-V767 HydrophobicContact CB-CG2 4.15Å; F723-V767 HydrophobicContact CD1-CG1 3.99Å; F723-V767 HydrophobicContact CD2-CG1 3.9Å; F723-V767 HydrophobicContact CD2-CG2 3.78Å; F723-V767 HydrophobicContact CE1-CG1 4.38Å; F723-V767 HydrophobicContact CE2-CG1 4.29Å; F723-V767 HydrophobicContact CE2-CG2 4.48Å; F723-V767 HydrophobicContact CG-CG1 3.73Å; F723-V767 HydrophobicContact CG-CG2 4.14Å
724Q91.7Very high87.9Confident65 Ų6532 Ų3230%0.30421%0.214SC..Hα-helixtrans-56.9-39.2177.3-73.6173.2-100112.3V720 K721 L727 S728 N770V720-Q724 WeakPolarHBondContact O-CG 3.35Å; V720-Q724 PolarHBondContact O-N 3.35Å; K721-Q724 PolarHBondContact O-N 3.08Å; Q724-L727 PolarHBondContact O-N 3.45Å; Q724-S728 VanDerWaalsContact O-CB 3.32Å; Q724-S728 WeakPolarHBondContact O-CB 3.46Å; Q724-S728 PolarHBondContact O-N 2.98Å; Q724-S728 PolarHBondContact O-OG 3.3Å; Q724-N770 HydrophobicContact CG-CB 4.45Å; Q724-N770 WeakPolarHBondContact CG-ND2 3.5Å; Q724-N770 PolarHBondContact NE2-ND2 3Å; Q724-N770 VanDerWaalsContact NE2-ND2 3.11Å
725L90.7Very high87.7Confident26 Ų2632 Ų3214%0.13622%0.215CC..Hα-helixtrans-64.3-47.8176.8-175.863.6000111.8V681 S682 F685 K721 L722 F723 L727 S728 T729V681-L725 HydrophobicContact CB-CD2 4.14Å; V681-L725 HydrophobicContact CG1-CD2 3.72Å; S682-L725 WeakPolarHBondContact OG-CD1 3.46Å; F685-L725 HydrophobicContact CD2-CD2 3.64Å; F685-L725 HydrophobicContact CD2-CG 3.79Å; F685-L725 HydrophobicContact CE2-CD2 3.84Å; F685-L725 HydrophobicContact CE2-CG 4.06Å; F685-L725 HydrophobicContact CG-CG 4.49Å; K721-L725 WeakPolarHBondContact O-CB 3.28Å; K721-L725 PolarHBondContact O-N 3.44Å; L722-L725 PolarHBondContact O-N 2.74Å; F723-L725 PolarHBondContact O-N 3.33Å; L725-L727 VanDerWaalsContact C-N 3.31Å; L725-L727 PolarHBondContact O-N 3.48Å; L725-S728 PolarHBondContact O-N 2.94Å; L725-T729 WeakPolarHBondContact O-CG2 3.48Å; L725-T729 PolarHBondContact O-N 2.82Å
726C91.1Very high87.6Confident0 Ų028.6 Ų28.60%020%0.2CC..Hα-helixtrans-58-45.8175.2-64.30000111M695 M698 L699 L722 F723 S728 T729M695-C726 HydrophobicContact CE-CB 4.44Å; M695-C726 WeakPolarHBondContact CE-O 3.2Å; M698-C726 WeakPolarHBondContact CG-SG 3.36Å; L699-C726 HydrophobicContact CD2-CB 3.81Å; L699-C726 HydrophobicContact CG-CB 4.35Å; L722-C726 PolarHBondContact O-N 3Å; L722-C726 PolarHBondContact O-SG 3.3Å; F723-C726 PolarHBondContact O-N 3.48Å; C726-S728 PolarHBondContact O-N 3.04Å; C726-T729 PolarHBondContact O-N 3.42Å; C726-T729 PolarHBondContact O-OG1 3.09Å
727L90.6Very high87.5Confident4 Ų429.8 Ų29.82%0.02121%0.206CC..Hα-helixtrans-68.4-34.3-178.3-65173.9000113F723 Q724 L725 T729 V730 F740 N770 L771 T774F723-L727 WeakPolarHBondContact O-CB 3.34Å; F723-L727 WeakPolarHBondContact O-CG 3.36Å; F723-L727 PolarHBondContact O-N 3.07Å; Q724-L727 PolarHBondContact O-N 3.45Å; L725-L727 VanDerWaalsContact C-N 3.31Å; L725-L727 PolarHBondContact O-N 3.48Å; L727-T729 PolarHBondContact O-N 3.06Å; L727-V730 VanDerWaalsContact O-CB 3.29Å; L727-V730 WeakPolarHBondContact O-CB 3.32Å; L727-V730 PolarHBondContact O-N 3.08Å; L727-V730 VanDerWaalsContact O-N 3.13Å; L727-F740 HydrophobicContact CD2-CD2 4.03Å; L727-F740 HydrophobicContact CD2-CE2 3.27Å; L727-F740 HydrophobicContact CD2-CZ 3.57Å; L727-N770 HydrophobicContact CD1-CB 3.69Å; L727-L771 HydrophobicContact CD1-CD2 4.03Å; L727-L771 HydrophobicContact CD1-CG 4.09Å; L727-L771 HydrophobicContact CD2-CD2 3.58Å; L727-L771 HydrophobicContact CD2-CG 4.49Å; L727-L771 HydrophobicContact CG-CD2 4.41Å; L727-T774 HydrophobicContact CB-CG2 4.48Å; L727-T774 HydrophobicContact CD2-CG2 4.42Å
728S86.8Confident87.4Confident93 Ų9332.5 Ų32.565%0.6522%0.217SC*.Hα-helixtrans-66.8-16.7176.7-58.30000112.9Q724 L725 C726Q724-S728 VanDerWaalsContact O-CB 3.32Å; Q724-S728 WeakPolarHBondContact O-CB 3.46Å; Q724-S728 PolarHBondContact O-N 2.98Å; Q724-S728 PolarHBondContact O-OG 3.3Å; L725-S728 PolarHBondContact O-N 2.94Å; C726-S728 PolarHBondContact O-N 3.04Å
729T85.7Confident87.2Confident25 Ų2533.2 Ų33.215%0.15322%0.221CC..THydrogen-bonded Turntrans-91.7-8.7177.269.90000113.3F685 L725 C726 L727 G732 N736F685-T729 HydrophobicContact CB-CG2 3.75Å; F685-T729 HydrophobicContact CD1-CG2 3.67Å; F685-T729 HydrophobicContact CG-CG2 3.9Å; L725-T729 WeakPolarHBondContact O-CG2 3.48Å; L725-T729 PolarHBondContact O-N 2.82Å; C726-T729 PolarHBondContact O-N 3.42Å; C726-T729 PolarHBondContact O-OG1 3.09Å; L727-T729 PolarHBondContact O-N 3.06Å; T729-G732 PolarHBondContact O-N 3.19Å; T729-N736 PolarHBondContact O-ND2 3.21Å
730V86.3Confident87.1Confident8 Ų833.2 Ų33.25%0.04822%0.221CC..THydrogen-bonded Turntrans-71137172.61800000109M695 L727 G732 D737 F740 T774 H778 F781M695-V730 HydrophobicContact CE-CG2 3.59Å; L727-V730 VanDerWaalsContact O-CB 3.29Å; L727-V730 WeakPolarHBondContact O-CB 3.32Å; L727-V730 PolarHBondContact O-N 3.08Å; L727-V730 VanDerWaalsContact O-N 3.13Å; V730-G732 VanDerWaalsContact C-N 3.33Å; V730-D737 WeakPolarHBondContact CG1-OD1 3.36Å; V730-F740 HydrophobicContact CG1-CD1 4.05Å; V730-F740 HydrophobicContact CG2-CB 4.05Å; V730-F740 HydrophobicContact CG2-CD1 3.95Å; V730-F740 HydrophobicContact CG2-CD2 4.27Å; V730-F740 HydrophobicContact CG2-CG 3.81Å; V730-T774 HydrophobicContact CB-CG2 3.56Å; V730-T774 HydrophobicContact CG1-CG2 3.62Å; V730-T774 HydrophobicContact CG2-CG2 3.99Å; V730-H778 PolarHBondContact O-CE1 3.3Å; V730-F781 HydrophobicContact CG1-CE2 3.64Å; V730-F781 HydrophobicContact CG1-CZ 3.71Å
731G79.2Confident86.9Confident38 Ų3836.9 Ų36.939%0.39224%0.236SC..THydrogen-bonded Turntrans91.5-19.2-17500000114.5D737 H778G731-D737 PolarHBondContact N-OD1 2.77Å; G731-H778 WeakPolarHBondContact CA-NE2 3.48Å
732G74.9Confident86.7Confident57 Ų5740.1 Ų40.159%0.58826%0.256SS*.THydrogen-bonded Turntrans-81-28.5177.900000114.3T729 V730T729-G732 PolarHBondContact O-N 3.19Å; V730-G732 VanDerWaalsContact C-N 3.33Å
733S74.9Confident86.5Confident11 Ų1141.2 Ų41.28%0.07726%0.261CS..  trans-147.8135.4177.876.40000112.1S735 N736 D737S733-S735 PolarHBondContact O-N 3.37Å; S733-N736 PolarHBondContact O-N 3.19Å; S733-N736 WeakPolarHBondContact OG-CB 3.11Å; S733-N736 PolarHBondContact OG-N 3.43Å; S733-N736 PolarHBondContact OG-ND2 3.45Å; S733-N736 PolarHBondContact OG-OD1 2.86Å; S733-D737 PolarHBondContact O-N 3.32Å
734G80.6Confident86.3Confident46 Ų4641.4 Ų41.447%0.47426%0.262SS..Hα-helixtrans-61.2-27-179.100000113.9D737 N738G734-D737 PolarHBondContact O-N 2.89Å; G734-N738 VanDerWaalsContact O-CG 3.26Å; G734-N738 PolarHBondContact O-N 3.44Å; G734-N738 PolarHBondContact O-ND2 2.99Å
735S84.3Confident86.1Confident71 Ų7145.2 Ų45.250%0.49728%0.278SS..Hα-helixtrans-66.3-41.5174.4-54.70000112.2S733 D737 N738 V739S733-S735 PolarHBondContact O-N 3.37Å; S735-D737 VanDerWaalsContact C-N 3.33Å; S735-N738 PolarHBondContact O-N 2.89Å; S735-V739 WeakPolarHBondContact O-CG2 3.06Å; S735-V739 PolarHBondContact O-N 3.49Å; S735-V739 VanDerWaalsContact O-N 3.12Å
736N86.6Confident86.1Confident4 Ų449.3 Ų49.32%0.02129%0.294CS..Hα-helixtrans-66.3-38.9176.3-70.5-0000110.9S691 S692 M695 T729 S733 N738 V739 F740S691-N736 PolarHBondContact OG-ND2 2.95Å; S692-N736 WeakPolarHBondContact CA-OD1 3.17Å; S692-N736 WeakPolarHBondContact CB-OD1 3.4Å; S692-N736 PolarHBondContact N-OD1 3.37Å; M695-N736 HydrophobicContact SD-CB 3.7Å; T729-N736 PolarHBondContact O-ND2 3.21Å; S733-N736 PolarHBondContact O-N 3.19Å; S733-N736 WeakPolarHBondContact OG-CB 3.11Å; S733-N736 PolarHBondContact OG-N 3.43Å; S733-N736 PolarHBondContact OG-ND2 3.45Å; S733-N736 PolarHBondContact OG-OD1 2.86Å; N736-N738 VanDerWaalsContact C-N 3.33Å; N736-N738 PolarHBondContact O-N 3.48Å; N736-V739 PolarHBondContact O-N 3.18Å; N736-F740 WeakPolarHBondContact O-CB 3.37Å; N736-F740 PolarHBondContact O-N 2.59Å
737D88.4Confident86.1Confident25 Ų2549.4 Ų49.413%0.13430%0.295CS..Hα-helixtrans-62.7-41.4178.1-60.3-15.3000111.4V730 G731 S733 G734 S735 F740 K741 F781V730-D737 WeakPolarHBondContact CG1-OD1 3.36Å; G731-D737 PolarHBondContact N-OD1 2.77Å; S733-D737 PolarHBondContact O-N 3.32Å; G734-D737 PolarHBondContact O-N 2.89Å; S735-D737 VanDerWaalsContact C-N 3.33Å; D737-F740 PolarHBondContact O-N 3.18Å; D737-K741 VanDerWaalsContact O-CB 3.28Å; D737-K741 WeakPolarHBondContact O-CB 3.23Å; D737-K741 PolarHBondContact O-N 3.25Å; D737-F781 HydrophobicContact CB-CZ 4.05Å
738N87.7Confident86Confident110 Ų11049.2 Ų49.259%0.58829%0.294SS*.Hα-helixtrans-63-45.8175.4-71.8-23.3000111.8G734 S735 N736 K741 L742G734-N738 VanDerWaalsContact O-CG 3.26Å; G734-N738 PolarHBondContact O-N 3.44Å; G734-N738 PolarHBondContact O-ND2 2.99Å; S735-N738 PolarHBondContact O-N 2.89Å; N736-N738 VanDerWaalsContact C-N 3.33Å; N736-N738 PolarHBondContact O-N 3.48Å; N738-K741 PolarHBondContact O-N 3.38Å; N738-L742 WeakPolarHBondContact O-CG 3.5Å; N738-L742 PolarHBondContact O-N 3.48Å
739V86.9Confident86.1Confident22 Ų2249 Ų4913%0.13329%0.286CS..Hα-helixtrans-62.4-48.1176.4172.50000110.4M695 S735 N736 K741 L742 H743M695-V739 HydrophobicContact CB-CG1 4.36Å; M695-V739 HydrophobicContact CG-CG1 4.22Å; S735-V739 WeakPolarHBondContact O-CG2 3.06Å; S735-V739 PolarHBondContact O-N 3.49Å; S735-V739 VanDerWaalsContact O-N 3.12Å; N736-V739 PolarHBondContact O-N 3.18Å; V739-K741 VanDerWaalsContact C-N 3.3Å; V739-K741 PolarHBondContact O-N 2.84Å; V739-L742 WeakPolarHBondContact O-CB 3.27Å; V739-L742 PolarHBondContact O-N 3.4Å; V739-L742 VanDerWaalsContact O-N 3.14Å; V739-H743 PolarHBondContact O-CD2 2.82Å; V739-H743 VanDerWaalsContact O-CD2 3.32Å; V739-H743 PolarHBondContact O-N 2.92Å
740F90.8Very high86.4Confident0 Ų049.2 Ų49.20%029%0.29CS..Hα-helixtrans-57.6-43.4178.3-179.3-121.3000112.2M695 L699 L727 V730 N736 D737 L742 H743 L744 L771 T774 V775 F781M695-F740 HydrophobicContact CE-CB 3.63Å; M695-F740 HydrophobicContact CE-CD2 4.04Å; M695-F740 HydrophobicContact CE-CG 4.12Å; L699-F740 HydrophobicContact CD1-CD2 4.1Å; L727-F740 HydrophobicContact CD2-CD2 4.03Å; L727-F740 HydrophobicContact CD2-CE2 3.27Å; L727-F740 HydrophobicContact CD2-CZ 3.57Å; V730-F740 HydrophobicContact CG1-CD1 4.05Å; V730-F740 HydrophobicContact CG2-CB 4.05Å; V730-F740 HydrophobicContact CG2-CD1 3.95Å; V730-F740 HydrophobicContact CG2-CD2 4.27Å; V730-F740 HydrophobicContact CG2-CG 3.81Å; N736-F740 WeakPolarHBondContact O-CB 3.37Å; N736-F740 PolarHBondContact O-N 2.59Å; D737-F740 PolarHBondContact O-N 3.18Å; F740-L742 PolarHBondContact O-N 3.35Å; F740-H743 CarbonylContact O-C 3.43Å; F740-H743 PolarHBondContact O-N 3.26Å; F740-L744 HydrophobicContact CE1-CD1 4.16Å; F740-L744 HydrophobicContact CZ-CD1 3.84Å; F740-L744 PolarHBondContact O-N 3.36Å; F740-L771 HydrophobicContact CE2-CD2 3.67Å; F740-L771 HydrophobicContact CZ-CD2 3.74Å; F740-T774 HydrophobicContact CE1-CG2 4.45Å; F740-V775 HydrophobicContact CE1-CG2 3.79Å; F740-V775 HydrophobicContact CZ-CG2 4.05Å; F740-F781 AromaticContact CD1-CE1 3.79Å; F740-F781 HydrophobicContact CD1-CE1 3.79Å; F740-F781 HydrophobicContact CD1-CE2 4.37Å; F740-F781 AromaticContact CD1-CZ 3.68Å; F740-F781 HydrophobicContact CD1-CZ 3.68Å; F740-F781 HydrophobicContact CE1-CE1 4.38Å; F740-F781 HydrophobicContact CE1-CZ 4.29Å
741K88.3Confident86.6Confident89 Ų8948.8 Ų48.839%0.38729%0.287SS..Hα-helixtrans-57.5-36.2178.6-173.2167.6175.8133.50112.5D737 N738 V739 H743 F781 D784D737-K741 VanDerWaalsContact O-CB 3.28Å; D737-K741 WeakPolarHBondContact O-CB 3.23Å; D737-K741 PolarHBondContact O-N 3.25Å; N738-K741 PolarHBondContact O-N 3.38Å; V739-K741 VanDerWaalsContact C-N 3.3Å; V739-K741 PolarHBondContact O-N 2.84Å; K741-H743 VanDerWaalsContact C-N 3.31Å; K741-H743 PolarHBondContact O-N 3.15Å; K741-F781 HydrophobicContact CB-CE1 4.23Å; K741-D784 VanDerWaalsContact CE-OD2 3.26Å; K741-D784 WeakPolarHBondContact CE-OD2 3.36Å; K741-D784 IonicContact NZ-OD1 3.22Å; K741-D784 IonicContact NZ-OD2 2.74Å; K741-D784 PolarHBondContact NZ-OD2 3.11Å
742L87.9Confident87Confident146 Ų14647.4 Ų47.476%0.76427%0.271SS*.Hα-helixtrans-66.3-31.2176-63.3172.6000112.7N738 V739 F740N738-L742 WeakPolarHBondContact O-CG 3.5Å; N738-L742 PolarHBondContact O-N 3.48Å; V739-L742 WeakPolarHBondContact O-CB 3.27Å; V739-L742 PolarHBondContact O-N 3.4Å; V739-L742 VanDerWaalsContact O-N 3.14Å; F740-L742 PolarHBondContact O-N 3.35Å
743H89Confident87.7Confident25 Ų2546 Ų4612%0.11625%0.252CS..Hα-helixtrans-93.5-20.1-179.6-69.2-83.1000113.7L699 V739 F740 K741 K745 K746 L747L699-H743 HydrophobicContact CB-CB 4.45Å; L699-H743 HydrophobicContact CD1-CB 4.14Å; V739-H743 PolarHBondContact O-CD2 2.82Å; V739-H743 VanDerWaalsContact O-CD2 3.32Å; V739-H743 PolarHBondContact O-N 2.92Å; F740-H743 CarbonylContact O-C 3.43Å; F740-H743 PolarHBondContact O-N 3.26Å; K741-H743 VanDerWaalsContact C-N 3.31Å; K741-H743 PolarHBondContact O-N 3.15Å; H743-K745 PolarHBondContact O-N 3.41Å; H743-K746 PolarHBondContact O-N 2.93Å; H743-L747 HydrophobicContact CB-CD1 3.89Å; H743-L747 HydrophobicContact CB-CG 4.26Å; H743-L747 WeakPolarHBondContact O-CG 3.2Å; H743-L747 PolarHBondContact O-N 3.08Å
744L90.1Very high88.4Confident4 Ų446.1 Ų46.12%0.02125%0.252CS..Hα-helixtrans-51.2-57-170174.958.9000113.7F740 K746 L747 V748 V775 D784 L788F740-L744 HydrophobicContact CE1-CD1 4.16Å; F740-L744 HydrophobicContact CZ-CD1 3.84Å; F740-L744 PolarHBondContact O-N 3.36Å; L744-K746 VanDerWaalsContact C-N 3.32Å; L744-K746 PolarHBondContact O-N 3.5Å; L744-L747 PolarHBondContact O-N 3.22Å; L744-V748 HydrophobicContact CD1-CG2 3.78Å; L744-V748 WeakPolarHBondContact O-CB 3.2Å; L744-V748 VanDerWaalsContact O-CG2 3.31Å; L744-V748 WeakPolarHBondContact O-CG2 3.27Å; L744-V748 PolarHBondContact O-N 2.66Å; L744-V775 HydrophobicContact CD1-CG2 3.56Å; L744-V775 HydrophobicContact CD2-CG1 4.35Å; L744-V775 HydrophobicContact CD2-CG2 4.08Å; L744-V775 HydrophobicContact CG-CG2 4.5Å; L744-D784 HydrophobicContact CD2-CB 3.82Å; L744-L788 HydrophobicContact CD1-CD1 4.49Å; L744-L788 HydrophobicContact CD2-CD1 4.27Å; L744-L788 HydrophobicContact CG-CD1 4.18Å
745K87.3Confident88.8Confident146 Ų14644.1 Ų44.164%0.63523%0.231SC*.Hα-helixtrans-63-38.6-177.1-172.4177.4-179.4-179.80112.1H743 N749H743-K745 PolarHBondContact O-N 3.41Å; K745-N749 WeakPolarHBondContact O-CB 3.38Å; K745-N749 VanDerWaalsContact O-CG 3.28Å; K745-N749 PolarHBondContact O-N 3.35Å; K745-N749 VanDerWaalsContact O-N 3.14Å; K745-N749 PolarHBondContact O-ND2 2.7Å
746K89.8Confident88.9Confident111 Ų11147.1 Ų47.148%0.48323%0.231SC..Hα-helixtrans-64.4-47.9177.5-175.1-178176.9-174.80110.3H743 L744 A750H743-K746 PolarHBondContact O-N 2.93Å; L744-K746 VanDerWaalsContact C-N 3.32Å; L744-K746 PolarHBondContact O-N 3.5Å; K746-A750 WeakPolarHBondContact O-CB 3.31Å; K746-A750 PolarHBondContact O-N 3.34Å
747L91.3Very high89Confident2 Ų256.4 Ų56.41%0.0127%0.266CS..Hα-helixtrans-67.3-42.9-178.2-70.2174.6000112.6L699 F723 H743 L744 A750 T751 L771L699-L747 HydrophobicContact CD2-CD1 4.06Å; F723-L747 HydrophobicContact CE1-CD1 4.22Å; F723-L747 HydrophobicContact CE1-CD2 3.8Å; F723-L747 HydrophobicContact CZ-CD2 4.07Å; H743-L747 HydrophobicContact CB-CD1 3.89Å; H743-L747 HydrophobicContact CB-CG 4.26Å; H743-L747 WeakPolarHBondContact O-CG 3.2Å; H743-L747 PolarHBondContact O-N 3.08Å; L744-L747 PolarHBondContact O-N 3.22Å; L747-A750 PolarHBondContact O-N 2.97Å; L747-T751 WeakPolarHBondContact O-CB 3.39Å; L747-T751 WeakPolarHBondContact O-CG2 3.5Å; L747-T751 PolarHBondContact O-N 3Å; L747-T751 PolarHBondContact O-OG1 3.24Å; L747-L771 HydrophobicContact CB-CD1 4.21Å; L747-L771 HydrophobicContact CD1-CD2 4.47Å
748V88.6Confident88.8Confident0 Ų056.1 Ų56.10%027%0.266CS..Hα-helixtrans-60.4-50.7176.5168.70000110.4L744 A750 T751 T752 L768 L771 L788 L792L744-V748 HydrophobicContact CD1-CG2 3.78Å; L744-V748 WeakPolarHBondContact O-CB 3.2Å; L744-V748 VanDerWaalsContact O-CG2 3.31Å; L744-V748 WeakPolarHBondContact O-CG2 3.27Å; L744-V748 PolarHBondContact O-N 2.66Å; V748-A750 VanDerWaalsContact C-N 3.34Å; V748-A750 PolarHBondContact O-N 3.31Å; V748-T751 PolarHBondContact O-N 3.22Å; V748-T751 PolarHBondContact O-OG1 3.21Å; V748-T751 VanDerWaalsContact O-OG1 3.09Å; V748-T752 VanDerWaalsContact O-CB 3.29Å; V748-T752 WeakPolarHBondContact O-CB 3.49Å; V748-T752 PolarHBondContact O-N 3.34Å; V748-T752 PolarHBondContact O-OG1 3.09Å; V748-L768 HydrophobicContact CG1-CD1 4.44Å; V748-L771 HydrophobicContact CG2-CD1 4.49Å; V748-L788 HydrophobicContact CG1-CD2 4.13Å; V748-L788 HydrophobicContact CG2-CD1 4.3Å; V748-L792 HydrophobicContact CG1-CD1 3.75Å; V748-L792 HydrophobicContact CG1-CD2 3.65Å; V748-L792 HydrophobicContact CG1-CG 4.08Å
749N89.8Confident88.5Confident89 Ų8958.4 Ų58.448%0.47627%0.273SS..Hα-helixtrans-63.4-40.3179.4-72.7-14.2000112.6K745 S753K745-N749 WeakPolarHBondContact O-CB 3.38Å; K745-N749 VanDerWaalsContact O-CG 3.28Å; K745-N749 PolarHBondContact O-N 3.35Å; K745-N749 VanDerWaalsContact O-N 3.14Å; K745-N749 PolarHBondContact O-ND2 2.7Å; N749-S753 WeakPolarHBondContact O-CB 3.34Å; N749-S753 PolarHBondContact O-N 3.23Å
750A91.1Very high88.2Confident29 Ų2960.8 Ų60.824%0.2428%0.283CS..Hα-helixtrans-69.7-46.5-17900000111.4I706 K746 L747 V748 S753 L754I706-A750 HydrophobicContact CD1-CB 3.35Å; K746-A750 WeakPolarHBondContact O-CB 3.31Å; K746-A750 PolarHBondContact O-N 3.34Å; L747-A750 PolarHBondContact O-N 2.97Å; V748-A750 VanDerWaalsContact C-N 3.34Å; V748-A750 PolarHBondContact O-N 3.31Å; A750-S753 PolarHBondContact O-N 2.91Å; A750-L754 WeakPolarHBondContact O-CB 3.38Å; A750-L754 PolarHBondContact O-N 3.28Å
751T90.4Very high87.9Confident0 Ų061.5 Ų61.50%029%0.287CS..Hα-helixtrans-63.9-43.2176.8500000112I706 L747 V748 L754 A755 V767 L771I706-T751 HydrophobicContact CD1-CG2 3.77Å; L747-T751 WeakPolarHBondContact O-CB 3.39Å; L747-T751 WeakPolarHBondContact O-CG2 3.5Å; L747-T751 PolarHBondContact O-N 3Å; L747-T751 PolarHBondContact O-OG1 3.24Å; V748-T751 PolarHBondContact O-N 3.22Å; V748-T751 PolarHBondContact O-OG1 3.21Å; V748-T751 VanDerWaalsContact O-OG1 3.09Å; T751-L754 PolarHBondContact O-N 3.34Å; T751-A755 WeakPolarHBondContact O-CB 3.32Å; T751-A755 PolarHBondContact O-N 2.98Å; T751-V767 HydrophobicContact CG2-CB 4.27Å; T751-V767 HydrophobicContact CG2-CG1 3.83Å; T751-L771 HydrophobicContact CG2-CD1 4.27Å
752T88.2Confident87.8Confident9 Ų959.8 Ų59.86%0.05529%0.29CS..Hα-helixtrans-64.9-41.3175.3-58.70000112V748 L754 R756 L792 V795V748-T752 VanDerWaalsContact O-CB 3.29Å; V748-T752 WeakPolarHBondContact O-CB 3.49Å; V748-T752 PolarHBondContact O-N 3.34Å; V748-T752 PolarHBondContact O-OG1 3.09Å; T752-L754 VanDerWaalsContact C-N 3.34Å; T752-R756 PolarHBondContact O-N 2.77Å; T752-L792 HydrophobicContact CG2-CD2 4.32Å; T752-L792 WeakPolarHBondContact OG1-CD2 3.49Å; T752-V795 HydrophobicContact CG2-CB 4.26Å; T752-V795 HydrophobicContact CG2-CG1 3.5Å; T752-V795 VanDerWaalsContact CG2-CG1 3.5Å
753S89.6Confident87.9Confident26 Ų2654.7 Ų54.718%0.18226%0.263CS..Hα-helixtrans-63.6-40.6175.1179.10000111.8N749 A750 R756 R757N749-S753 WeakPolarHBondContact O-CB 3.34Å; N749-S753 PolarHBondContact O-N 3.23Å; A750-S753 PolarHBondContact O-N 2.91Å; S753-R756 PolarHBondContact O-N 3.27Å; S753-R757 WeakPolarHBondContact O-CG 3.43Å; S753-R757 PolarHBondContact O-N 2.97Å; S753-R757 PolarHBondContact OG-NE 3.4Å; S753-R757 VanDerWaalsContact OG-NE 3.13Å; S753-R757 PolarHBondContact OG-NH2 3.1Å
754L90.1Very high88Confident15 Ų1553.5 Ų53.58%0.07926%0.258CS..Hα-helixtrans-66.9-45.9178.3-172.167.3000111.4I706 L709 A710 A750 T751 T752 R756 R757 S758 A764I706-L754 HydrophobicContact CG1-CD2 4.21Å; I706-L754 WeakPolarHBondContact O-CD2 3.41Å; L709-L754 HydrophobicContact CB-CD2 3.74Å; A710-L754 HydrophobicContact CB-CD1 4.1Å; A710-L754 HydrophobicContact CB-CG 4.49Å; A750-L754 WeakPolarHBondContact O-CB 3.38Å; A750-L754 PolarHBondContact O-N 3.28Å; T751-L754 PolarHBondContact O-N 3.34Å; T752-L754 VanDerWaalsContact C-N 3.34Å; L754-R756 PolarHBondContact O-N 3.37Å; L754-R757 PolarHBondContact O-N 3.12Å; L754-S758 WeakPolarHBondContact O-CB 3.04Å; L754-S758 PolarHBondContact O-N 3.18Å; L754-S758 PolarHBondContact O-OG 3.46Å; L754-A764 HydrophobicContact CD2-CB 4.37Å
755A88.7Confident87.9Confident4 Ų453.4 Ų53.43%0.03326%0.258CS..Hα-helixtrans-59.2-31.5179.100000112.9T751 P761 A764 L765 M799T751-A755 WeakPolarHBondContact O-CB 3.32Å; T751-A755 PolarHBondContact O-N 2.98Å; A755-P761 HydrophobicContact CB-CB 4.3Å; A755-P761 WeakPolarHBondContact O-CB 3.48Å; A755-A764 HydrophobicContact CB-CB 3.91Å; A755-L765 HydrophobicContact CB-CD2 4.01Å; A755-L765 HydrophobicContact CB-CG 4.37Å; A755-M799 HydrophobicContact CB-CE 3.82Å
756R87.4Confident88Confident133 Ų13348.4 Ų48.450%0.50224%0.241SC..Hα-helixtrans-72.5-28.3174.1-74.8-169.9-64.4-168.63.5114.2T752 S753 L754 V795 M799T752-R756 PolarHBondContact O-N 2.77Å; S753-R756 PolarHBondContact O-N 3.27Å; L754-R756 PolarHBondContact O-N 3.37Å; R756-V795 HydrophobicContact CG-CG1 4.27Å; R756-M799 HydrophobicContact CG-CE 4.27Å; R756-M799 HydrophobicContact CG-CG 3.89Å; R756-M799 HydrophobicContact CG-SD 3.51Å; R756-M799 VanDerWaalsContact CG-SD 3.51Å
757R86.8Confident88Confident199 Ų19943.2 Ų43.275%0.75122%0.219SC*.Hα-helixtrans-100.6-21.1-173.5-61.3177.5-153.4-139.96.9113S753 L754S753-R757 WeakPolarHBondContact O-CG 3.43Å; S753-R757 PolarHBondContact O-N 2.97Å; S753-R757 PolarHBondContact OG-NE 3.4Å; S753-R757 VanDerWaalsContact OG-NE 3.13Å; S753-R757 PolarHBondContact OG-NH2 3.1Å; L754-R757 PolarHBondContact O-N 3.12Å
758S85.3Confident87.9Confident19 Ų1943.1 Ų43.113%0.13322%0.218CC..  trans-81.9137.8-175.162.30000112.5L754 H760 P761L754-S758 WeakPolarHBondContact O-CB 3.04Å; L754-S758 PolarHBondContact O-N 3.18Å; L754-S758 PolarHBondContact O-OG 3.46Å; S758-H760 PolarHBondContact O-N 3Å; S758-P761 VanDerWaalsContact OG-CA 3.26Å; S758-P761 WeakPolarHBondContact OG-CA 3.28Å
759E80.4Confident87.8Confident158 Ų15847.4 Ų47.474%0.73823%0.234SC*.SBendtrans-66.1-26.1170.3-63.4-173.6168.200113.1P761 R805E759-P761 WeakPolarHBondContact O-CD 3.32Å; E759-R805 PolarHBondContact O-NH1 3.08Å
760H81.2Confident87.7Confident73 Ų7343.8 Ų43.834%0.33822%0.215SC..  trans-12175.3179-63.2-73.5000111.1T712 S758 A762 R805T712-H760 HydrophobicContact CG2-CB 3.93Å; S758-H760 PolarHBondContact O-N 3Å; H760-A762 PolarHBondContact O-N 3.34Å; H760-A762 VanDerWaalsContact O-N 3.16Å; H760-R805 PolarHBondContact ND1-NH1 3.2Å
761P85.5Confident87.6Confident14 Ų1442.4 Ų42.49%0.09120%0.203CC..THydrogen-bonded Turntrans-72.3-8.1-173.430.1-36.6000114.5A755 S758 E759 N763 A764 L765 V808A755-P761 HydrophobicContact CB-CB 4.3Å; A755-P761 WeakPolarHBondContact O-CB 3.48Å; S758-P761 VanDerWaalsContact OG-CA 3.26Å; S758-P761 WeakPolarHBondContact OG-CA 3.28Å; E759-P761 WeakPolarHBondContact O-CD 3.32Å; P761-N763 VanDerWaalsContact C-N 3.34Å; P761-N763 PolarHBondContact O-N 3.25Å; P761-A764 PolarHBondContact O-N 2.92Å; P761-A764 VanDerWaalsContact O-N 3.14Å; P761-L765 HydrophobicContact CB-CD1 4.07Å; P761-L765 HydrophobicContact CB-CG 4.23Å; P761-L765 HydrophobicContact CG-CD1 4.36Å; P761-L765 WeakPolarHBondContact O-CB 3.28Å; P761-L765 VanDerWaalsContact O-CG 3.27Å; P761-L765 WeakPolarHBondContact O-CG 3.45Å; P761-L765 PolarHBondContact O-N 3.19Å; P761-V808 HydrophobicContact CG-CG1 3.91Å; P761-V808 HydrophobicContact CG-CG2 3.97Å
762A86.6Confident87.3Confident54 Ų5442.7 Ų42.745%0.44621%0.205SC..Hα-helixtrans-53.7-44.4-172.300000113.8H760 S766H760-A762 PolarHBondContact O-N 3.34Å; H760-A762 VanDerWaalsContact O-N 3.16Å; A762-S766 WeakPolarHBondContact O-CB 3.43Å; A762-S766 PolarHBondContact O-N 3.34Å
763N89.5Confident87Confident38 Ų3848 Ų4820%0.20322%0.224CC..Hα-helixtrans-67-45179-71.2-32.4000111.9L709 G711 V720 P761 S766 V767L709-N763 HydrophobicContact CB-CB 4.36Å; L709-N763 HydrophobicContact CD2-CB 4.45Å; L709-N763 VanDerWaalsContact O-CB 3.31Å; L709-N763 WeakPolarHBondContact O-CB 3.44Å; L709-N763 PolarHBondContact O-ND2 3.45Å; G711-N763 PolarHBondContact O-ND2 3.28Å; V720-N763 HydrophobicContact CG2-CB 3.81Å; P761-N763 VanDerWaalsContact C-N 3.34Å; P761-N763 PolarHBondContact O-N 3.25Å; N763-S766 WeakPolarHBondContact O-CB 3.39Å; N763-S766 PolarHBondContact O-N 2.95Å; N763-V767 WeakPolarHBondContact O-CG2 3.42Å; N763-V767 PolarHBondContact O-N 3.1Å
764A89.8Confident86.7Confident1 Ų147.4 Ų47.41%0.00822%0.219CC..Hα-helixtrans-63.6-41.7177.500000111.5L754 A755 P761 V767 L768L754-A764 HydrophobicContact CD2-CB 4.37Å; A755-A764 HydrophobicContact CB-CB 3.91Å; P761-A764 PolarHBondContact O-N 2.92Å; P761-A764 VanDerWaalsContact O-N 3.14Å; A764-V767 PolarHBondContact O-N 3.08Å; A764-L768 WeakPolarHBondContact O-CB 3.3Å; A764-L768 PolarHBondContact O-N 3.18Å
765L89.2Confident86.4Confident2 Ų246.8 Ų46.81%0.0122%0.216CC..Hα-helixtrans-65.1-37.5174.2-66.4176.7000111.9A755 P761 L768 R769 M799 V808 L812 L815A755-L765 HydrophobicContact CB-CD2 4.01Å; A755-L765 HydrophobicContact CB-CG 4.37Å; P761-L765 HydrophobicContact CB-CD1 4.07Å; P761-L765 HydrophobicContact CB-CG 4.23Å; P761-L765 HydrophobicContact CG-CD1 4.36Å; P761-L765 WeakPolarHBondContact O-CB 3.28Å; P761-L765 VanDerWaalsContact O-CG 3.27Å; P761-L765 WeakPolarHBondContact O-CG 3.45Å; P761-L765 PolarHBondContact O-N 3.19Å; L765-L768 PolarHBondContact O-N 3.49Å; L765-R769 VanDerWaalsContact O-CB 3.25Å; L765-R769 WeakPolarHBondContact O-CB 3.42Å; L765-R769 PolarHBondContact O-N 3.36Å; L765-M799 HydrophobicContact CD2-CE 4.3Å; L765-V808 HydrophobicContact CD1-CG1 3.9Å; L765-L812 HydrophobicContact CD1-CD2 4.19Å; L765-L812 HydrophobicContact CD1-CG 4.14Å; L765-L812 HydrophobicContact CD2-CD2 3.62Å; L765-L812 HydrophobicContact CD2-CG 4.44Å; L765-L815 HydrophobicContact CB-CD1 4.14Å; L765-L815 HydrophobicContact CD2-CD1 3.71Å; L765-L815 HydrophobicContact CG-CD1 4.45Å
766S88Confident85.8Confident41 Ų4148.3 Ų48.329%0.28723%0.226SC..Hα-helixtrans-63.3-44.1174.4-172.50000111.9A762 N763 R769 N770A762-S766 WeakPolarHBondContact O-CB 3.43Å; A762-S766 PolarHBondContact O-N 3.34Å; N763-S766 WeakPolarHBondContact O-CB 3.39Å; N763-S766 PolarHBondContact O-N 2.95Å; S766-R769 PolarHBondContact O-N 3Å; S766-N770 PolarHBondContact O-N 2.89Å; S766-N770 PolarHBondContact O-ND2 2.98Å
767V91.1Very high85.3Confident1 Ų147.7 Ų47.71%0.00623%0.233CC..Hα-helixtrans-64.2-45.7174.9177.10000110.4L709 V720 F723 T751 N763 A764 R769 N770 L771L709-V767 HydrophobicContact CD1-CG2 4Å; L709-V767 HydrophobicContact CD2-CG2 4.26Å; V720-V767 HydrophobicContact CB-CG2 4.46Å; V720-V767 HydrophobicContact CG1-CG2 4.43Å; V720-V767 HydrophobicContact CG2-CG2 4.11Å; F723-V767 HydrophobicContact CB-CG1 4.08Å; F723-V767 HydrophobicContact CB-CG2 4.15Å; F723-V767 HydrophobicContact CD1-CG1 3.99Å; F723-V767 HydrophobicContact CD2-CG1 3.9Å; F723-V767 HydrophobicContact CD2-CG2 3.78Å; F723-V767 HydrophobicContact CE1-CG1 4.38Å; F723-V767 HydrophobicContact CE2-CG1 4.29Å; F723-V767 HydrophobicContact CE2-CG2 4.48Å; F723-V767 HydrophobicContact CG-CG1 3.73Å; F723-V767 HydrophobicContact CG-CG2 4.14Å; T751-V767 HydrophobicContact CG2-CB 4.27Å; T751-V767 HydrophobicContact CG2-CG1 3.83Å; N763-V767 WeakPolarHBondContact O-CG2 3.42Å; N763-V767 PolarHBondContact O-N 3.1Å; A764-V767 PolarHBondContact O-N 3.08Å; V767-R769 VanDerWaalsContact C-N 3.3Å; V767-R769 PolarHBondContact O-N 3.35Å; V767-N770 PolarHBondContact O-N 2.84Å; V767-L771 HydrophobicContact CG1-CD1 3.97Å; V767-L771 HydrophobicContact CG1-CG 4.3Å; V767-L771 WeakPolarHBondContact O-CB 3.24Å; V767-L771 VanDerWaalsContact O-CG 3.31Å; V767-L771 WeakPolarHBondContact O-CG 3.35Å; V767-L771 PolarHBondContact O-N 3.5Å
768L89.4Confident84.8Confident1 Ų141 Ų411%0.00521%0.21CC..Hα-helixtrans-59.4-40.9176.8-175.361.2000111.9V748 A764 L765 L771 L772 L796 L815V748-L768 HydrophobicContact CG1-CD1 4.44Å; A764-L768 WeakPolarHBondContact O-CB 3.3Å; A764-L768 PolarHBondContact O-N 3.18Å; L765-L768 PolarHBondContact O-N 3.49Å; L768-L771 WeakPolarHBondContact O-CB 3.48Å; L768-L771 PolarHBondContact O-N 3.18Å; L768-L772 HydrophobicContact CD1-CD1 4.47Å; L768-L772 HydrophobicContact CD1-CG 4.35Å; L768-L772 HydrophobicContact CG-CD1 4.33Å; L768-L772 WeakPolarHBondContact O-CG 3.36Å; L768-L772 PolarHBondContact O-N 3.4Å; L768-L796 HydrophobicContact CD2-CD2 4.19Å; L768-L815 HydrophobicContact CB-CD2 4.46Å; L768-L815 HydrophobicContact CD2-CD1 4.41Å; L768-L815 HydrophobicContact CD2-CD2 4.47Å; L768-L815 HydrophobicContact CG-CD2 4.11Å
769R86.1Confident84.4Confident90 Ų9047.5 Ų47.534%0.3424%0.238SC..Hα-helixtrans-62.7-46176.4179.1178.9162.1-163.5-8.2111.1L765 S766 V767 L772 R773 E814 L815L765-R769 VanDerWaalsContact O-CB 3.25Å; L765-R769 WeakPolarHBondContact O-CB 3.42Å; L765-R769 PolarHBondContact O-N 3.36Å; S766-R769 PolarHBondContact O-N 3Å; V767-R769 VanDerWaalsContact C-N 3.3Å; V767-R769 PolarHBondContact O-N 3.35Å; R769-L772 PolarHBondContact O-N 3.15Å; R769-R773 VanDerWaalsContact O-CB 3.25Å; R769-R773 WeakPolarHBondContact O-CB 3.43Å; R769-R773 PolarHBondContact O-N 2.99Å; R769-E814 IonicContact CZ-OE1 3.53Å; R769-E814 IonicContact CZ-OE2 2.74Å; R769-E814 IonicContact NE-OE1 2.63Å; R769-E814 PolarHBondContact NE-OE1 3.13Å; R769-E814 VanDerWaalsContact NE-OE1 3.12Å; R769-E814 IonicContact NE-OE2 3.53Å; R769-E814 PolarHBondContact NE-OE2 3.44Å; R769-E814 IonicContact NH1-OE1 3.51Å; R769-E814 PolarHBondContact NH1-OE1 3.31Å; R769-E814 IonicContact NH1-OE2 2.68Å; R769-E814 PolarHBondContact NH1-OE2 3.37Å; R769-E814 IonicContact NH2-OE1 2.82Å; R769-E814 PolarHBondContact NH2-OE1 2.97Å; R769-E814 IonicContact NH2-OE2 2.95Å; R769-L815 HydrophobicContact CB-CD2 3.71Å; R769-L815 HydrophobicContact CB-CG 4.21Å; R769-L815 HydrophobicContact CG-CD2 4.4Å
770N86.7Confident84.2Confident12 Ų1243.1 Ų43.16%0.06423%0.229CC..Hα-helixtrans-65.5-38.4176.7-74.5-59.8000112.4Q724 L727 S766 V767 R773 T774Q724-N770 HydrophobicContact CG-CB 4.45Å; Q724-N770 WeakPolarHBondContact CG-ND2 3.5Å; Q724-N770 PolarHBondContact NE2-ND2 3Å; Q724-N770 VanDerWaalsContact NE2-ND2 3.11Å; L727-N770 HydrophobicContact CD1-CB 3.69Å; S766-N770 PolarHBondContact O-N 2.89Å; S766-N770 PolarHBondContact O-ND2 2.98Å; V767-N770 PolarHBondContact O-N 2.84Å; N770-R773 PolarHBondContact OD1-NH2 3.13Å; N770-T774 WeakPolarHBondContact O-CB 3.26Å; N770-T774 PolarHBondContact O-N 3.39Å; N770-T774 PolarHBondContact O-OG1 3.32Å
771L89.4Confident84.2Confident0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-59.6-55.6173.6-75.7167.9000110.3L727 F740 L747 V748 T751 V767 L768 R773 T774 V775L727-L771 HydrophobicContact CD1-CD2 4.03Å; L727-L771 HydrophobicContact CD1-CG 4.09Å; L727-L771 HydrophobicContact CD2-CD2 3.58Å; L727-L771 HydrophobicContact CD2-CG 4.49Å; L727-L771 HydrophobicContact CG-CD2 4.41Å; F740-L771 HydrophobicContact CE2-CD2 3.67Å; F740-L771 HydrophobicContact CZ-CD2 3.74Å; L747-L771 HydrophobicContact CB-CD1 4.21Å; L747-L771 HydrophobicContact CD1-CD2 4.47Å; V748-L771 HydrophobicContact CG2-CD1 4.49Å; T751-L771 HydrophobicContact CG2-CD1 4.27Å; V767-L771 HydrophobicContact CG1-CD1 3.97Å; V767-L771 HydrophobicContact CG1-CG 4.3Å; V767-L771 WeakPolarHBondContact O-CB 3.24Å; V767-L771 VanDerWaalsContact O-CG 3.31Å; V767-L771 WeakPolarHBondContact O-CG 3.35Å; V767-L771 PolarHBondContact O-N 3.5Å; L768-L771 WeakPolarHBondContact O-CB 3.48Å; L768-L771 PolarHBondContact O-N 3.18Å; L771-R773 PolarHBondContact O-N 3.47Å; L771-T774 PolarHBondContact O-N 3.23Å; L771-V775 WeakPolarHBondContact O-CG2 3.49Å; L771-V775 PolarHBondContact O-N 3.41Å
772L83.8Confident83.7Confident7 Ų740.9 Ų40.94%0.03722%0.224CC..Hα-helixtrans-62.4-42.5-178.3-69-179.4000112.2L768 R769 T774 V775 C776 L792 L815L768-L772 HydrophobicContact CD1-CD1 4.47Å; L768-L772 HydrophobicContact CD1-CG 4.35Å; L768-L772 HydrophobicContact CG-CD1 4.33Å; L768-L772 WeakPolarHBondContact O-CG 3.36Å; L768-L772 PolarHBondContact O-N 3.4Å; R769-L772 PolarHBondContact O-N 3.15Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.48Å; L772-V775 PolarHBondContact O-N 2.95Å; L772-C776 VanDerWaalsContact O-CB 3.27Å; L772-C776 WeakPolarHBondContact O-CB 3.32Å; L772-C776 PolarHBondContact O-N 3.21Å; L772-C776 PolarHBondContact O-SG 2.98Å; L772-L792 HydrophobicContact CD2-CD1 3.83Å; L772-L815 HydrophobicContact CD1-CD2 3.78Å
773R81.9Confident83.3Confident121 Ų12144.4 Ų44.446%0.45723%0.231SC..Hα-helixtrans-57.1-46.6174.1-177.917665.8164.2-0.7111.7R769 N770 L771 C776 N777R769-R773 VanDerWaalsContact O-CB 3.25Å; R769-R773 WeakPolarHBondContact O-CB 3.43Å; R769-R773 PolarHBondContact O-N 2.99Å; N770-R773 PolarHBondContact OD1-NH2 3.13Å; L771-R773 PolarHBondContact O-N 3.47Å; R773-C776 PolarHBondContact O-N 2.88Å; R773-N777 WeakPolarHBondContact O-CB 3.39Å; R773-N777 PolarHBondContact O-N 3.49Å; R773-N777 PolarHBondContact O-ND2 2.66Å; R773-N777 PolarHBondContact O-OD1 2.93Å
774T84.2Confident82.8Confident12 Ų1244.2 Ų44.27%0.07423%0.23CC..Hα-helixtrans-63.8-43.8179.9-58.10000111.3L727 V730 F740 N770 L771 L772 H778L727-T774 HydrophobicContact CB-CG2 4.48Å; L727-T774 HydrophobicContact CD2-CG2 4.42Å; V730-T774 HydrophobicContact CB-CG2 3.56Å; V730-T774 HydrophobicContact CG1-CG2 3.62Å; V730-T774 HydrophobicContact CG2-CG2 3.99Å; F740-T774 HydrophobicContact CE1-CG2 4.45Å; N770-T774 WeakPolarHBondContact O-CB 3.26Å; N770-T774 PolarHBondContact O-N 3.39Å; N770-T774 PolarHBondContact O-OG1 3.32Å; L771-T774 PolarHBondContact O-N 3.23Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.48Å; T774-H778 PolarHBondContact O-ND1 3.04Å
775V82.5Confident82.2Confident3 Ų345 Ų452%0.01823%0.234CC..Hα-helixtrans-68.7-45.4-179.6-179.30000110.2F740 L744 L771 L772 N777 H778 F781 I785F740-V775 HydrophobicContact CE1-CG2 3.79Å; F740-V775 HydrophobicContact CZ-CG2 4.05Å; L744-V775 HydrophobicContact CD1-CG2 3.56Å; L744-V775 HydrophobicContact CD2-CG1 4.35Å; L744-V775 HydrophobicContact CD2-CG2 4.08Å; L744-V775 HydrophobicContact CG-CG2 4.5Å; L771-V775 WeakPolarHBondContact O-CG2 3.49Å; L771-V775 PolarHBondContact O-N 3.41Å; L772-V775 PolarHBondContact O-N 2.95Å; V775-N777 VanDerWaalsContact C-N 3.34Å; V775-N777 PolarHBondContact O-N 3.4Å; V775-H778 PolarHBondContact O-N 3.25Å; V775-F781 HydrophobicContact CB-CB 4.47Å; V775-F781 HydrophobicContact CG1-CB 3.5Å; V775-F781 VanDerWaalsContact CG1-CB 3.5Å; V775-F781 HydrophobicContact CG1-CG 4.17Å; V775-I785 HydrophobicContact CB-CG1 4.38Å; V775-I785 HydrophobicContact CG1-CD1 3.78Å; V775-I785 HydrophobicContact CG1-CG1 3.19Å; V775-I785 WeakPolarHBondContact O-CD1 3.45Å
776C77.9Confident81.6Confident36 Ų3646.4 Ų46.424%0.24325%0.245CC..Hα-helixtrans-66-31.9-178.3-66.60000113.6L772 R773 H778 P820L772-C776 VanDerWaalsContact O-CB 3.27Å; L772-C776 WeakPolarHBondContact O-CB 3.32Å; L772-C776 PolarHBondContact O-N 3.21Å; L772-C776 PolarHBondContact O-SG 2.98Å; R773-C776 PolarHBondContact O-N 2.88Å; C776-H778 VanDerWaalsContact C-N 3.32Å; C776-H778 PolarHBondContact O-N 3.45Å; C776-P820 HydrophobicContact CB-CB 4.48Å
777N75.1Confident81.2Confident120 Ų12049.4 Ų49.464%0.64226%0.258SS*.Hα-helixtrans-74.1-20.4179.5-72.7-9000113.5R773 V775R773-N777 WeakPolarHBondContact O-CB 3.39Å; R773-N777 PolarHBondContact O-N 3.49Å; R773-N777 PolarHBondContact O-ND2 2.66Å; R773-N777 PolarHBondContact O-OD1 2.93Å; V775-N777 VanDerWaalsContact C-N 3.34Å; V775-N777 PolarHBondContact O-N 3.4Å
778H77.2Confident80.7Confident59 Ų5950.3 Ų50.327%0.27326%0.263SS..  trans-114.6121.4-172.5-62.7104.1000112.3V730 G731 T774 V775 C776 A780 F781V730-H778 PolarHBondContact O-CE1 3.3Å; G731-H778 WeakPolarHBondContact CA-NE2 3.48Å; T774-H778 PolarHBondContact O-ND1 3.04Å; V775-H778 PolarHBondContact O-N 3.25Å; C776-H778 VanDerWaalsContact C-N 3.32Å; C776-H778 PolarHBondContact O-N 3.45Å; H778-A780 PolarHBondContact O-N 3.14Å; H778-A780 VanDerWaalsContact O-N 3.09Å; H778-F781 HydrophobicContact CB-CD2 3.7Å; H778-F781 HydrophobicContact CB-CE2 3.74Å; H778-F781 PolarHBondContact O-N 2.8Å
779Q76.7Confident80.1Confident155 Ų15550.4 Ų50.472%0.72426%0.264SS*.G310 helixtrans-60.2-24.7-178-173.1170.5-5.900113.7F781 A782Q779-F781 PolarHBondContact O-N 3.3Å; Q779-F781 VanDerWaalsContact O-N 3.15Å; Q779-A782 WeakPolarHBondContact O-CB 3.5Å; Q779-A782 PolarHBondContact O-N 3.4Å
780A77.5Confident79.8Confident65 Ų6550.6 Ų50.654%0.53727%0.267SS..G310 helixtrans-58.9-24.8179.200000113.7H778H778-A780 PolarHBondContact O-N 3.14Å; H778-A780 VanDerWaalsContact O-N 3.09Å
781F80.4Confident79.6Confident2 Ų253.4 Ų53.41%0.00929%0.286CS..G310 helixtrans-102.210.8-178-49.8-73.1000113.6V730 D737 F740 K741 V775 H778 Q779 Q783 D784 I785V730-F781 HydrophobicContact CG1-CE2 3.64Å; V730-F781 HydrophobicContact CG1-CZ 3.71Å; D737-F781 HydrophobicContact CB-CZ 4.05Å; F740-F781 AromaticContact CD1-CE1 3.79Å; F740-F781 HydrophobicContact CD1-CE1 3.79Å; F740-F781 HydrophobicContact CD1-CE2 4.37Å; F740-F781 AromaticContact CD1-CZ 3.68Å; F740-F781 HydrophobicContact CD1-CZ 3.68Å; F740-F781 HydrophobicContact CE1-CE1 4.38Å; F740-F781 HydrophobicContact CE1-CZ 4.29Å; K741-F781 HydrophobicContact CB-CE1 4.23Å; V775-F781 HydrophobicContact CB-CB 4.47Å; V775-F781 HydrophobicContact CG1-CB 3.5Å; V775-F781 VanDerWaalsContact CG1-CB 3.5Å; V775-F781 HydrophobicContact CG1-CG 4.17Å; H778-F781 HydrophobicContact CB-CD2 3.7Å; H778-F781 HydrophobicContact CB-CE2 3.74Å; H778-F781 PolarHBondContact O-N 2.8Å; Q779-F781 PolarHBondContact O-N 3.3Å; Q779-F781 VanDerWaalsContact O-N 3.15Å; F781-Q783 PolarHBondContact O-N 3.05Å; F781-Q783 VanDerWaalsContact O-N 3.13Å; F781-D784 HydrophobicContact CB-CB 4.46Å; F781-D784 PolarHBondContact O-N 2.96Å; F781-I785 VanDerWaalsContact O-CG1 3.31Å; F781-I785 WeakPolarHBondContact O-CG1 3.42Å; F781-I785 PolarHBondContact O-N 3.07Å
782A73.8Confident79.3Confident38 Ų3853.7 Ų53.731%0.31429%0.288SS..Hα-helixtrans-54.1-37.6-174.800000114Q779 A786Q779-A782 WeakPolarHBondContact O-CB 3.5Å; Q779-A782 PolarHBondContact O-N 3.4Å; A782-A786 PolarHBondContact O-N 3.49Å
783Q78.3Confident79.1Confident128 Ų12853.4 Ų53.460%0.59829%0.286SS*.Hα-helixtrans-74-40.5176.4-172.662.427.100112.2F781 I785 A786 N787F781-Q783 PolarHBondContact O-N 3.05Å; F781-Q783 VanDerWaalsContact O-N 3.13Å; Q783-I785 VanDerWaalsContact C-N 3.3Å; Q783-I785 PolarHBondContact O-N 2.98Å; Q783-A786 PolarHBondContact O-N 3.14Å; Q783-N787 PolarHBondContact O-N 3.45Å; Q783-N787 PolarHBondContact O-ND2 3.47Å
784D80.6Confident79.2Confident35 Ų3552.7 Ų52.719%0.18729%0.286CS..Hα-helixtrans-65.2-38.7179.7-55.9-64.1000110.5K741 L744 F781 N787 L788K741-D784 VanDerWaalsContact CE-OD2 3.26Å; K741-D784 WeakPolarHBondContact CE-OD2 3.36Å; K741-D784 IonicContact NZ-OD1 3.22Å; K741-D784 IonicContact NZ-OD2 2.74Å; K741-D784 PolarHBondContact NZ-OD2 3.11Å; L744-D784 HydrophobicContact CD2-CB 3.82Å; F781-D784 HydrophobicContact CB-CB 4.46Å; F781-D784 PolarHBondContact O-N 2.96Å; D784-N787 PolarHBondContact O-N 2.96Å; D784-L788 VanDerWaalsContact O-CG 3.3Å; D784-L788 WeakPolarHBondContact O-CG 3.4Å; D784-L788 PolarHBondContact O-N 3.32Å
785I76.2Confident79.3Confident18 Ų1853.2 Ų53.29%0.09229%0.289CS..Hα-helixtrans-55.1-54.7169.8-71.8173.7000111.2V775 F781 Q783 N787 L788 V789 P820V775-I785 HydrophobicContact CB-CG1 4.38Å; V775-I785 HydrophobicContact CG1-CD1 3.78Å; V775-I785 HydrophobicContact CG1-CG1 3.19Å; V775-I785 WeakPolarHBondContact O-CD1 3.45Å; F781-I785 VanDerWaalsContact O-CG1 3.31Å; F781-I785 WeakPolarHBondContact O-CG1 3.42Å; F781-I785 PolarHBondContact O-N 3.07Å; Q783-I785 VanDerWaalsContact C-N 3.3Å; Q783-I785 PolarHBondContact O-N 2.98Å; I785-N787 PolarHBondContact O-N 3Å; I785-N787 VanDerWaalsContact O-N 3.1Å; I785-L788 PolarHBondContact O-N 3.04Å; I785-V789 HydrophobicContact CG2-CG2 3.59Å; I785-V789 WeakPolarHBondContact O-CG2 3.47Å; I785-V789 PolarHBondContact O-N 3.4Å; I785-P820 HydrophobicContact CB-CG 4.49Å; I785-P820 HydrophobicContact CD1-CG 4.41Å; I785-P820 HydrophobicContact CG2-CB 4.06Å; I785-P820 HydrophobicContact CG2-CG 3.12Å
786A75.9Confident79.4Confident30 Ų3053.1 Ų53.125%0.24829%0.289CS..Hα-helixtrans-55.6-35.3-173.900000111.6A782 Q783 T825A782-A786 PolarHBondContact O-N 3.49Å; Q783-A786 PolarHBondContact O-N 3.14Å; A786-T825 HydrophobicContact CB-CG2 4.11Å
787N79.6Confident79.6Confident104 Ų10452.2 Ų52.256%0.55628%0.281SS*.Hα-helixtrans-76-22177.7-66-26.7000114.2Q783 D784 I785Q783-N787 PolarHBondContact O-N 3.45Å; Q783-N787 PolarHBondContact O-ND2 3.47Å; D784-N787 PolarHBondContact O-N 2.96Å; I785-N787 PolarHBondContact O-N 3Å; I785-N787 VanDerWaalsContact O-N 3.1Å
788L80.8Confident80.1Confident21 Ų2150.7 Ų50.711%0.1127%0.27CS..Hα-helixtrans-98.1-23.6-177.3-68.6171.3000113.2L744 V748 D784 I785 F790 P791 L792L744-L788 HydrophobicContact CD1-CD1 4.49Å; L744-L788 HydrophobicContact CD2-CD1 4.27Å; L744-L788 HydrophobicContact CG-CD1 4.18Å; V748-L788 HydrophobicContact CG1-CD2 4.13Å; V748-L788 HydrophobicContact CG2-CD1 4.3Å; D784-L788 VanDerWaalsContact O-CG 3.3Å; D784-L788 WeakPolarHBondContact O-CG 3.4Å; D784-L788 PolarHBondContact O-N 3.32Å; I785-L788 PolarHBondContact O-N 3.04Å; L788-F790 PolarHBondContact O-N 3.45Å; L788-P791 WeakPolarHBondContact O-CD 3.48Å; L788-L792 HydrophobicContact CB-CD1 4Å; L788-L792 VanDerWaalsContact O-CB 3.29Å; L788-L792 WeakPolarHBondContact O-CB 3.16Å; L788-L792 VanDerWaalsContact O-CG 3.24Å; L788-L792 WeakPolarHBondContact O-CG 3.44Å; L788-L792 PolarHBondContact O-N 3.36Å; L788-L792 VanDerWaalsContact O-N 3.13Å
789V77.4Confident80.5Confident3 Ų349.2 Ų49.22%0.01826%0.264CS..Hα-helixtrans-55.6-56.4-173.1169.30000112.8I785 L792 L793 M819 P820 Y829I785-V789 HydrophobicContact CG2-CG2 3.59Å; I785-V789 WeakPolarHBondContact O-CG2 3.47Å; I785-V789 PolarHBondContact O-N 3.4Å; V789-L792 PolarHBondContact O-N 3.37Å; V789-L793 HydrophobicContact CG1-CD1 3.75Å; V789-L793 HydrophobicContact CG1-CG 4.4Å; V789-L793 WeakPolarHBondContact O-CB 3.38Å; V789-L793 WeakPolarHBondContact O-CG 3.33Å; V789-L793 PolarHBondContact O-N 3.04Å; V789-M819 HydrophobicContact CB-CE 4.08Å; V789-M819 HydrophobicContact CG1-CE 4.26Å; V789-M819 HydrophobicContact CG2-CE 3.69Å; V789-P820 HydrophobicContact CG2-CG 4.01Å; V789-Y829 HydrophobicContact CG1-CD2 3.71Å; V789-Y829 HydrophobicContact CG1-CE2 4.05Å; V789-Y829 HydrophobicContact CG1-CG 4.46Å
790F80Confident80.9Confident94 Ų9442.8 Ų42.841%0.41223%0.234SC..Hα-helixtrans-65.9-49.9-174.3175.9-100.7000113.6L788 L792 L793 K794 Y829 L832L788-F790 PolarHBondContact O-N 3.45Å; F790-L792 VanDerWaalsContact C-N 3.26Å; F790-L792 PolarHBondContact O-N 2.73Å; F790-L793 PolarHBondContact O-N 3.38Å; F790-K794 PolarHBondContact O-N 3.05Å; F790-K794 VanDerWaalsContact O-N 3.12Å; F790-Y829 HydrophobicContact CB-CD1 4.09Å; F790-Y829 HydrophobicContact CB-CE1 3.59Å; F790-Y829 HydrophobicContact CB-CE2 4.49Å; F790-Y829 AromaticContact CD2-CD1 3.49Å; F790-Y829 HydrophobicContact CD2-CD1 3.49Å; F790-Y829 VanDerWaalsContact CD2-CD1 3.49Å; F790-Y829 AromaticContact CD2-CE1 3.47Å; F790-Y829 HydrophobicContact CD2-CE1 3.47Å; F790-Y829 VanDerWaalsContact CD2-CE1 3.47Å; F790-Y829 HydrophobicContact CE2-CD1 4.35Å; F790-Y829 HydrophobicContact CE2-CE1 4.4Å; F790-Y829 HydrophobicContact CG-CD1 4.21Å; F790-Y829 AromaticContact CG-CE1 3.81Å; F790-Y829 HydrophobicContact CG-CE1 3.81Å; F790-L832 HydrophobicContact CD2-CD1 3.8Å; F790-L832 HydrophobicContact CE2-CD1 3.82Å
791P82.8Confident81.1Confident71 Ų7145.7 Ų45.746%0.46124%0.236SC..Hα-helixtrans-58.6-38.2177.1-24.734.3000113L788 V795L788-P791 WeakPolarHBondContact O-CD 3.48Å; P791-V795 VanDerWaalsContact O-CG2 3.29Å; P791-V795 WeakPolarHBondContact O-CG2 3.43Å; P791-V795 PolarHBondContact O-N 3.12Å
792L83.3Confident81.3Confident6 Ų653 Ų533%0.03127%0.268CS..Hα-helixtrans-72.3-48180-73175.2000112.6V748 T752 L772 L788 V789 F790 K794 V795 L796 M819V748-L792 HydrophobicContact CG1-CD1 3.75Å; V748-L792 HydrophobicContact CG1-CD2 3.65Å; V748-L792 HydrophobicContact CG1-CG 4.08Å; T752-L792 HydrophobicContact CG2-CD2 4.32Å; T752-L792 WeakPolarHBondContact OG1-CD2 3.49Å; L772-L792 HydrophobicContact CD2-CD1 3.83Å; L788-L792 HydrophobicContact CB-CD1 4Å; L788-L792 VanDerWaalsContact O-CB 3.29Å; L788-L792 WeakPolarHBondContact O-CB 3.16Å; L788-L792 VanDerWaalsContact O-CG 3.24Å; L788-L792 WeakPolarHBondContact O-CG 3.44Å; L788-L792 PolarHBondContact O-N 3.36Å; L788-L792 VanDerWaalsContact O-N 3.13Å; V789-L792 PolarHBondContact O-N 3.37Å; F790-L792 VanDerWaalsContact C-N 3.26Å; F790-L792 PolarHBondContact O-N 2.73Å; L792-K794 VanDerWaalsContact C-N 3.26Å; L792-K794 PolarHBondContact O-N 3.47Å; L792-V795 PolarHBondContact O-N 3.42Å; L792-V795 VanDerWaalsContact O-N 3.14Å; L792-L796 WeakPolarHBondContact O-CB 3.2Å; L792-L796 VanDerWaalsContact O-CG 3.23Å; L792-L796 WeakPolarHBondContact O-CG 3.23Å; L792-L796 PolarHBondContact O-N 3.16Å; L792-M819 HydrophobicContact CB-SD 4.36Å
793L80.1Confident81.7Confident1 Ų152 Ų521%0.00526%0.259CS..Hα-helixtrans-57.7-42.4178.4-77.1176.3000111.6V789 F790 V795 L796 N797 M819 L832 L833V789-L793 HydrophobicContact CG1-CD1 3.75Å; V789-L793 HydrophobicContact CG1-CG 4.4Å; V789-L793 WeakPolarHBondContact O-CB 3.38Å; V789-L793 WeakPolarHBondContact O-CG 3.33Å; V789-L793 PolarHBondContact O-N 3.04Å; F790-L793 PolarHBondContact O-N 3.38Å; L793-V795 PolarHBondContact O-N 2.89Å; L793-L796 PolarHBondContact O-N 3.28Å; L793-N797 WeakPolarHBondContact O-CB 3.49Å; L793-N797 VanDerWaalsContact O-CG 3.3Å; L793-N797 PolarHBondContact O-N 2.98Å; L793-M819 HydrophobicContact CD1-SD 4.39Å; L793-M819 HydrophobicContact CD2-CB 4.24Å; L793-M819 HydrophobicContact CD2-CG 3.76Å; L793-M819 HydrophobicContact CD2-SD 3.48Å; L793-M819 WeakPolarHBondContact CD2-SD 3Å; L793-M819 HydrophobicContact CG-CG 4.41Å; L793-M819 HydrophobicContact CG-SD 3.53Å; L793-M819 VanDerWaalsContact CG-SD 3.53Å; L793-L832 HydrophobicContact CB-CD1 4.35Å; L793-L833 HydrophobicContact CD1-CD1 4.46Å; L793-L833 HydrophobicContact CD1-CD2 4.15Å; L793-L833 HydrophobicContact CD1-CG 4.07Å; L793-L833 HydrophobicContact CD2-CD2 3.57Å; L793-L833 HydrophobicContact CD2-CG 4.36Å
794K83.6Confident81.7Confident106 Ų10652.2 Ų52.246%0.46127%0.269SS..Hα-helixtrans-58.9-49.3176.3-175.1175.6177.6179.30111.4F790 L792 E798F790-K794 PolarHBondContact O-N 3.05Å; F790-K794 VanDerWaalsContact O-N 3.12Å; L792-K794 VanDerWaalsContact C-N 3.26Å; L792-K794 PolarHBondContact O-N 3.47Å; K794-E798 WeakPolarHBondContact CE-OE1 3.43Å; K794-E798 WeakPolarHBondContact O-CG 3.37Å; K794-E798 PolarHBondContact O-N 3.29Å
795V85.6Confident81.8Confident22 Ų2256.5 Ų56.513%0.13328%0.283CS..Hα-helixtrans-67.4-39.9-179.5173.10000112T752 R756 P791 L792 L793 E798 M799T752-V795 HydrophobicContact CG2-CB 4.26Å; T752-V795 HydrophobicContact CG2-CG1 3.5Å; T752-V795 VanDerWaalsContact CG2-CG1 3.5Å; R756-V795 HydrophobicContact CG-CG1 4.27Å; P791-V795 VanDerWaalsContact O-CG2 3.29Å; P791-V795 WeakPolarHBondContact O-CG2 3.43Å; P791-V795 PolarHBondContact O-N 3.12Å; L792-V795 PolarHBondContact O-N 3.42Å; L792-V795 VanDerWaalsContact O-N 3.14Å; L793-V795 PolarHBondContact O-N 2.89Å; V795-E798 PolarHBondContact O-N 3.44Å; V795-M799 HydrophobicContact CG1-CG 4.35Å; V795-M799 HydrophobicContact CG1-SD 3.98Å; V795-M799 WeakPolarHBondContact O-CB 3.48Å; V795-M799 VanDerWaalsContact O-CG 3.23Å; V795-M799 WeakPolarHBondContact O-CG 3.48Å; V795-M799 PolarHBondContact O-N 3.15Å
796L84.7Confident82Confident1 Ų159.9 Ų59.91%0.00531%0.306CS..Hα-helixtrans-66.7-40.6179.4-69.5171.6000111.7L768 L792 L793 M799 H800 L812 L815 C816L768-L796 HydrophobicContact CD2-CD2 4.19Å; L792-L796 WeakPolarHBondContact O-CB 3.2Å; L792-L796 VanDerWaalsContact O-CG 3.23Å; L792-L796 WeakPolarHBondContact O-CG 3.23Å; L792-L796 PolarHBondContact O-N 3.16Å; L793-L796 PolarHBondContact O-N 3.28Å; L796-M799 PolarHBondContact O-N 3.35Å; L796-H800 VanDerWaalsContact O-CB 3.29Å; L796-H800 WeakPolarHBondContact O-CB 3.29Å; L796-H800 PolarHBondContact O-N 2.8Å; L796-L812 HydrophobicContact CD2-CD2 3.63Å; L796-L815 HydrophobicContact CD1-CB 4.19Å; L796-L815 HydrophobicContact CD2-CB 4.4Å; L796-L815 HydrophobicContact CD2-CD1 4.23Å; L796-C816 VanDerWaalsContact CB-SG 3.54Å
797N82.5Confident82.2Confident17 Ų1765.4 Ų65.49%0.09133%0.327CS..Hα-helixtrans-66.2-43.6175.3-74.6-7.6000112L793 M799 H800 H801 C816 L832 P836L793-N797 WeakPolarHBondContact O-CB 3.49Å; L793-N797 VanDerWaalsContact O-CG 3.3Å; L793-N797 PolarHBondContact O-N 2.98Å; N797-M799 VanDerWaalsContact C-N 3.33Å; N797-M799 PolarHBondContact O-N 3.06Å; N797-H800 PolarHBondContact O-N 3.16Å; N797-H801 WeakPolarHBondContact O-CB 3.49Å; N797-H801 PolarHBondContact O-N 2.99Å; N797-C816 PolarHBondContact OD1-SG 3.5Å; N797-L832 PolarHBondContact ND2-O 3.16Å; N797-P836 WeakPolarHBondContact OD1-CG 3.35Å
798E85.4Confident82.3Confident88 Ų8861.2 Ų61.241%0.41131%0.305SS..Hα-helixtrans-56.8-48.5172.5-74.5170.5-171.400110.2K794 V795 H800 H801 F802K794-E798 WeakPolarHBondContact CE-OE1 3.43Å; K794-E798 WeakPolarHBondContact O-CG 3.37Å; K794-E798 PolarHBondContact O-N 3.29Å; V795-E798 PolarHBondContact O-N 3.44Å; E798-H800 VanDerWaalsContact C-N 3.35Å; E798-H800 PolarHBondContact O-N 2.97Å; E798-H801 PolarHBondContact O-N 3.42Å; E798-F802 WeakPolarHBondContact O-CD2 3.28Å; E798-F802 PolarHBondContact O-N 3.36Å
799M85.3Confident82.4Confident28 Ų2863.6 Ų63.614%0.13831%0.314CS..Hα-helixtrans-62.2-39.1176.9-73178.169.100112.9A755 R756 L765 V795 L796 N797 F802 A803 L812A755-M799 HydrophobicContact CB-CE 3.82Å; R756-M799 HydrophobicContact CG-CE 4.27Å; R756-M799 HydrophobicContact CG-CG 3.89Å; R756-M799 HydrophobicContact CG-SD 3.51Å; R756-M799 VanDerWaalsContact CG-SD 3.51Å; L765-M799 HydrophobicContact CD2-CE 4.3Å; V795-M799 HydrophobicContact CG1-CG 4.35Å; V795-M799 HydrophobicContact CG1-SD 3.98Å; V795-M799 WeakPolarHBondContact O-CB 3.48Å; V795-M799 VanDerWaalsContact O-CG 3.23Å; V795-M799 WeakPolarHBondContact O-CG 3.48Å; V795-M799 PolarHBondContact O-N 3.15Å; L796-M799 PolarHBondContact O-N 3.35Å; N797-M799 VanDerWaalsContact C-N 3.33Å; N797-M799 PolarHBondContact O-N 3.06Å; M799-F802 PolarHBondContact O-N 3.25Å; M799-A803 VanDerWaalsContact O-CB 3.25Å; M799-A803 WeakPolarHBondContact O-CB 3.29Å; M799-A803 PolarHBondContact O-N 3.17Å; M799-L812 HydrophobicContact CB-CD1 3.87Å; M799-L812 HydrophobicContact CB-CD2 4.12Å; M799-L812 HydrophobicContact CE-CD2 4.15Å; M799-L812 HydrophobicContact SD-CD2 4.48Å
800H84.9Confident82.6Confident20 Ų2067.2 Ų67.29%0.09333%0.334CS..Hα-helixtrans-67.3-40.1179.9177.7-91.2000111.4L796 N797 E798 F802 A803 L812L796-H800 VanDerWaalsContact O-CB 3.29Å; L796-H800 WeakPolarHBondContact O-CB 3.29Å; L796-H800 PolarHBondContact O-N 2.8Å; N797-H800 PolarHBondContact O-N 3.16Å; E798-H800 VanDerWaalsContact C-N 3.35Å; E798-H800 PolarHBondContact O-N 2.97Å; H800-F802 VanDerWaalsContact C-N 3.32Å; H800-F802 PolarHBondContact O-N 3.09Å; H800-A803 PolarHBondContact O-N 3.06Å; H800-L812 HydrophobicContact CB-CB 4.27Å; H800-L812 HydrophobicContact CB-CD1 4.33Å
801H82.6Confident82.7Confident126 Ų12664.6 Ų64.658%0.58333%0.327SS*.Hα-helixtrans-62.8-38.4177.2-164.186.9000112.2N797 E798N797-H801 WeakPolarHBondContact O-CB 3.49Å; N797-H801 PolarHBondContact O-N 2.99Å; E798-H801 PolarHBondContact O-N 3.42Å
802F83Confident82.7Confident157 Ų15761.3 Ų61.369%0.68931%0.305SS*.Hα-helixtrans-92.4-7.6179-63.8-64.5000114.6E798 M799 H800 V804E798-F802 WeakPolarHBondContact O-CD2 3.28Å; E798-F802 PolarHBondContact O-N 3.36Å; M799-F802 PolarHBondContact O-N 3.25Å; H800-F802 VanDerWaalsContact C-N 3.32Å; H800-F802 PolarHBondContact O-N 3.09Å; F802-V804 PolarHBondContact O-N 3.43Å
803A82.6Confident82.6Confident15 Ų1561.7 Ų61.712%0.12431%0.307CS..  trans-66.3135.217800000110M799 H800 V808 K809 L812M799-A803 VanDerWaalsContact O-CB 3.25Å; M799-A803 WeakPolarHBondContact O-CB 3.29Å; M799-A803 PolarHBondContact O-N 3.17Å; H800-A803 PolarHBondContact O-N 3.06Å; A803-V808 HydrophobicContact CB-CG1 4.28Å; A803-K809 HydrophobicContact CB-CG 3.69Å; A803-K809 WeakPolarHBondContact O-CE 3.35Å; A803-L812 HydrophobicContact CB-CD1 4.08Å
804V79.8Confident82.5Confident133 Ų13364.4 Ų64.481%0.80632%0.32SS*.  trans-104.1-39.8177.6-178.10000111F802F802-V804 PolarHBondContact O-N 3.43Å
805R80.9Confident82.4Confident125 Ų12559.4 Ų59.447%0.47230%0.299SS..SBendtrans-75129.1-176.5-64-178.2-176.7154.12.9110.7E759 H760 E807 V808 K809E759-R805 PolarHBondContact O-NH1 3.08Å; H760-R805 PolarHBondContact ND1-NH1 3.2Å; R805-E807 PolarHBondContact O-N 3.27Å; R805-V808 HydrophobicContact CB-CB 4.32Å; R805-V808 HydrophobicContact CB-CG2 4.01Å; R805-V808 PolarHBondContact O-N 2.9Å; R805-V808 VanDerWaalsContact O-N 3.16Å; R805-K809 PolarHBondContact O-N 3.47Å
806P81.3Confident82Confident89 Ų8958.5 Ų58.558%0.57829%0.293SS*.Hα-helixtrans-60.7-43.8-175.923.1-32.7000112.4V808 K809 D810P806-V808 PolarHBondContact O-N 2.96Å; P806-V808 VanDerWaalsContact O-N 3.15Å; P806-K809 WeakPolarHBondContact O-CA 3.46Å; P806-K809 WeakPolarHBondContact O-CB 3.46Å; P806-K809 PolarHBondContact O-N 2.6Å; P806-D810 PolarHBondContact O-N 2.74Å
807E79.9Confident81.5Confident147 Ų14759.6 Ų59.669%0.68730%0.299SS*.Hα-helixtrans-56.6-35.3178-60.2170.6-17800113.3R805 S811R805-E807 PolarHBondContact O-N 3.27Å; E807-S811 WeakPolarHBondContact O-CB 3.41Å; E807-S811 PolarHBondContact O-N 3.21Å; E807-S811 VanDerWaalsContact O-N 3.07Å; E807-S811 PolarHBondContact O-OG 3.03Å
808V81.7Confident81Confident16 Ų1660.1 Ų60.110%0.09730%0.304CS..Hα-helixtrans-76.3-41.1178.1178.80000110.1P761 L765 A803 R805 P806 S811 L812P761-V808 HydrophobicContact CG-CG1 3.91Å; P761-V808 HydrophobicContact CG-CG2 3.97Å; L765-V808 HydrophobicContact CD1-CG1 3.9Å; A803-V808 HydrophobicContact CB-CG1 4.28Å; R805-V808 HydrophobicContact CB-CB 4.32Å; R805-V808 HydrophobicContact CB-CG2 4.01Å; R805-V808 PolarHBondContact O-N 2.9Å; R805-V808 VanDerWaalsContact O-N 3.16Å; P806-V808 PolarHBondContact O-N 2.96Å; P806-V808 VanDerWaalsContact O-N 3.15Å; V808-S811 PolarHBondContact O-N 3.07Å; V808-L812 HydrophobicContact CG1-CD1 3.9Å; V808-L812 HydrophobicContact CG1-CG 4.39Å; V808-L812 WeakPolarHBondContact O-CB 3.3Å; V808-L812 VanDerWaalsContact O-CG 3.24Å; V808-L812 WeakPolarHBondContact O-CG 3.43Å; V808-L812 PolarHBondContact O-N 2.74Å
809K83Confident80.2Confident71 Ų7156.5 Ų56.531%0.30929%0.287SS..Hα-helixtrans-57.7-49.2172.6-73.9-171.2176.8-171.40110.9A803 R805 P806 S811 L812 L813A803-K809 HydrophobicContact CB-CG 3.69Å; A803-K809 WeakPolarHBondContact O-CE 3.35Å; R805-K809 PolarHBondContact O-N 3.47Å; P806-K809 WeakPolarHBondContact O-CA 3.46Å; P806-K809 WeakPolarHBondContact O-CB 3.46Å; P806-K809 PolarHBondContact O-N 2.6Å; K809-S811 VanDerWaalsContact C-N 3.34Å; K809-S811 PolarHBondContact O-N 3.49Å; K809-L812 PolarHBondContact O-N 2.71Å; K809-L813 VanDerWaalsContact O-CB 3.22Å; K809-L813 WeakPolarHBondContact O-CB 3.47Å; K809-L813 PolarHBondContact O-N 2.91Å
810D82.6Confident79.1Confident79 Ų7956 Ų5642%0.42229%0.286SS..Hα-helixtrans-61.6-42.7179.5-65.9-21.5000111.5P806 L812 L813 E814P806-D810 PolarHBondContact O-N 2.74Å; D810-L812 PolarHBondContact O-N 2.66Å; D810-L813 PolarHBondContact O-N 3.11Å; D810-E814 VanDerWaalsContact O-CB 3.29Å; D810-E814 WeakPolarHBondContact O-CB 3.37Å; D810-E814 PolarHBondContact O-N 2.92Å
811S80.8Confident77.4Confident39 Ų3958.5 Ų58.527%0.27331%0.31SS..Hα-helixtrans-63.4-41176.4-62.20000112.5E807 V808 K809 L815E807-S811 WeakPolarHBondContact O-CB 3.41Å; E807-S811 PolarHBondContact O-N 3.21Å; E807-S811 VanDerWaalsContact O-N 3.07Å; E807-S811 PolarHBondContact O-OG 3.03Å; V808-S811 PolarHBondContact O-N 3.07Å; K809-S811 VanDerWaalsContact C-N 3.34Å; K809-S811 PolarHBondContact O-N 3.49Å; S811-L815 WeakPolarHBondContact O-CB 3.48Å; S811-L815 WeakPolarHBondContact O-CD1 3.5Å; S811-L815 VanDerWaalsContact O-CG 3.25Å; S811-L815 WeakPolarHBondContact O-CG 3.32Å; S811-L815 PolarHBondContact O-N 2.88Å
812L83.8Confident76.2Confident1 Ų159.4 Ų59.41%0.00531%0.308CS..Hα-helixtrans-70-41.1177.3-73.2168.8000111.8L765 L796 M799 H800 A803 V808 K809 D810 L815 C816L765-L812 HydrophobicContact CD1-CD2 4.19Å; L765-L812 HydrophobicContact CD1-CG 4.14Å; L765-L812 HydrophobicContact CD2-CD2 3.62Å; L765-L812 HydrophobicContact CD2-CG 4.44Å; L796-L812 HydrophobicContact CD2-CD2 3.63Å; M799-L812 HydrophobicContact CB-CD1 3.87Å; M799-L812 HydrophobicContact CB-CD2 4.12Å; M799-L812 HydrophobicContact CE-CD2 4.15Å; M799-L812 HydrophobicContact SD-CD2 4.48Å; H800-L812 HydrophobicContact CB-CB 4.27Å; H800-L812 HydrophobicContact CB-CD1 4.33Å; A803-L812 HydrophobicContact CB-CD1 4.08Å; V808-L812 HydrophobicContact CG1-CD1 3.9Å; V808-L812 HydrophobicContact CG1-CG 4.39Å; V808-L812 WeakPolarHBondContact O-CB 3.3Å; V808-L812 VanDerWaalsContact O-CG 3.24Å; V808-L812 WeakPolarHBondContact O-CG 3.43Å; V808-L812 PolarHBondContact O-N 2.74Å; K809-L812 PolarHBondContact O-N 2.71Å; D810-L812 PolarHBondContact O-N 2.66Å; L812-L815 HydrophobicContact CD2-CD1 4.44Å; L812-L815 WeakPolarHBondContact O-CB 3.35Å; L812-L815 PolarHBondContact O-N 3.22Å; L812-C816 PolarHBondContact O-N 3.07Å; L812-C816 PolarHBondContact O-SG 2.88Å; L812-C816 VanDerWaalsContact O-SG 3.4Å
813L81.3Confident74.8Confident14 Ų1455 Ų557%0.07329%0.292CS..Hα-helixtrans-59.8-49.9174.5-174.368.6000110.2K809 D810 L815 C816 L817 P836 V839 A840K809-L813 VanDerWaalsContact O-CB 3.22Å; K809-L813 WeakPolarHBondContact O-CB 3.47Å; K809-L813 PolarHBondContact O-N 2.91Å; D810-L813 PolarHBondContact O-N 3.11Å; L813-L815 VanDerWaalsContact C-N 3.29Å; L813-L815 PolarHBondContact O-N 2.69Å; L813-C816 PolarHBondContact O-N 2.96Å; L813-L817 HydrophobicContact CG-CD1 4.25Å; L813-L817 VanDerWaalsContact O-CG 3.27Å; L813-L817 WeakPolarHBondContact O-CG 3.44Å; L813-L817 PolarHBondContact O-N 3.07Å; L813-P836 HydrophobicContact CD1-CB 3.96Å; L813-P836 WeakPolarHBondContact CD1-O 3.45Å; L813-V839 HydrophobicContact CD1-CB 4.36Å; L813-V839 HydrophobicContact CD1-CG1 4.36Å; L813-A840 HydrophobicContact CD1-CB 3.96Å; L813-A840 HydrophobicContact CD2-CB 3.79Å; L813-A840 HydrophobicContact CG-CB 4.08Å
814E78.1Confident74Confident59 Ų5958.7 Ų58.728%0.27632%0.317SS..Hα-helixtrans-60.1-39.4175.8-169.2-174.8-176.500111.8R769 D810 L817 S818R769-E814 IonicContact CZ-OE1 3.53Å; R769-E814 IonicContact CZ-OE2 2.74Å; R769-E814 IonicContact NE-OE1 2.63Å; R769-E814 PolarHBondContact NE-OE1 3.13Å; R769-E814 VanDerWaalsContact NE-OE1 3.12Å; R769-E814 IonicContact NE-OE2 3.53Å; R769-E814 PolarHBondContact NE-OE2 3.44Å; R769-E814 IonicContact NH1-OE1 3.51Å; R769-E814 PolarHBondContact NH1-OE1 3.31Å; R769-E814 IonicContact NH1-OE2 2.68Å; R769-E814 PolarHBondContact NH1-OE2 3.37Å; R769-E814 IonicContact NH2-OE1 2.82Å; R769-E814 PolarHBondContact NH2-OE1 2.97Å; R769-E814 IonicContact NH2-OE2 2.95Å; D810-E814 VanDerWaalsContact O-CB 3.29Å; D810-E814 WeakPolarHBondContact O-CB 3.37Å; D810-E814 PolarHBondContact O-N 2.92Å; E814-L817 PolarHBondContact O-N 3.15Å; E814-S818 WeakPolarHBondContact O-CB 3.48Å; E814-S818 PolarHBondContact O-N 2.88Å; E814-S818 PolarHBondContact O-OG 3.45Å
815L80.8Confident73.2Confident1 Ų154.5 Ų54.51%0.00529%0.291CS..Hα-helixtrans-62.2-45.7174.5-84.8162.6000112.6L765 L768 R769 L772 L796 S811 L812 L813 L817 S818 M819L765-L815 HydrophobicContact CB-CD1 4.14Å; L765-L815 HydrophobicContact CD2-CD1 3.71Å; L765-L815 HydrophobicContact CG-CD1 4.45Å; L768-L815 HydrophobicContact CB-CD2 4.46Å; L768-L815 HydrophobicContact CD2-CD1 4.41Å; L768-L815 HydrophobicContact CD2-CD2 4.47Å; L768-L815 HydrophobicContact CG-CD2 4.11Å; R769-L815 HydrophobicContact CB-CD2 3.71Å; R769-L815 HydrophobicContact CB-CG 4.21Å; R769-L815 HydrophobicContact CG-CD2 4.4Å; L772-L815 HydrophobicContact CD1-CD2 3.78Å; L796-L815 HydrophobicContact CD1-CB 4.19Å; L796-L815 HydrophobicContact CD2-CB 4.4Å; L796-L815 HydrophobicContact CD2-CD1 4.23Å; S811-L815 WeakPolarHBondContact O-CB 3.48Å; S811-L815 WeakPolarHBondContact O-CD1 3.5Å; S811-L815 VanDerWaalsContact O-CG 3.25Å; S811-L815 WeakPolarHBondContact O-CG 3.32Å; S811-L815 PolarHBondContact O-N 2.88Å; L812-L815 HydrophobicContact CD2-CD1 4.44Å; L812-L815 WeakPolarHBondContact O-CB 3.35Å; L812-L815 PolarHBondContact O-N 3.22Å; L813-L815 VanDerWaalsContact C-N 3.29Å; L813-L815 PolarHBondContact O-N 2.69Å; L815-L817 VanDerWaalsContact C-N 3.32Å; L815-L817 PolarHBondContact O-N 3.39Å; L815-S818 PolarHBondContact O-N 3.37Å; L815-M819 WeakPolarHBondContact O-CG 3.46Å; L815-M819 PolarHBondContact O-N 3.43Å
816C78Confident72.3Confident2 Ų249 Ų491%0.01427%0.272CS..Hα-helixtrans-61.4-41.8175.4-72.10000111.2L796 N797 L812 L813 M819 L833 P836L796-C816 VanDerWaalsContact CB-SG 3.54Å; N797-C816 PolarHBondContact OD1-SG 3.5Å; L812-C816 PolarHBondContact O-N 3.07Å; L812-C816 PolarHBondContact O-SG 2.88Å; L812-C816 VanDerWaalsContact O-SG 3.4Å; L813-C816 PolarHBondContact O-N 2.96Å; C816-M819 WeakPolarHBondContact O-CB 3.33Å; C816-M819 PolarHBondContact O-N 2.93Å; C816-L833 WeakPolarHBondContact O-CD2 2.9Å; C816-P836 HydrophobicContact CB-CB 3.95Å; C816-P836 HydrophobicContact CB-CG 4.01Å
817L73.7Confident71.7Confident24 Ų2453.3 Ų53.313%0.12628%0.276CS..Hα-helixtrans-74.9-25.1178.3-63.7176.3000113.4L813 E814 L815 M819 I837 A840L813-L817 HydrophobicContact CG-CD1 4.25Å; L813-L817 VanDerWaalsContact O-CG 3.27Å; L813-L817 WeakPolarHBondContact O-CG 3.44Å; L813-L817 PolarHBondContact O-N 3.07Å; E814-L817 PolarHBondContact O-N 3.15Å; L815-L817 VanDerWaalsContact C-N 3.32Å; L815-L817 PolarHBondContact O-N 3.39Å; L817-M819 PolarHBondContact O-N 2.93Å; L817-I837 HydrophobicContact CD2-CG1 3.67Å; L817-A840 HydrophobicContact CD1-CB 3.88Å
818S71.4Confident71.1Confident28 Ų2850.6 Ų50.620%0.19627%0.271CS..THydrogen-bonded Turntrans-76.3-9.1174.8-62.70000112.9E814 L815E814-S818 WeakPolarHBondContact O-CB 3.48Å; E814-S818 PolarHBondContact O-N 2.88Å; E814-S818 PolarHBondContact O-OG 3.45Å; L815-S818 PolarHBondContact O-N 3.37Å
819M68.9Low70.6Confident12 Ų1252.5 Ų52.56%0.05928%0.277CS..SBendtrans-64.9150.3175.7-67.1-126.656.700111.1V789 L792 L793 L815 C816 L817V789-M819 HydrophobicContact CB-CE 4.08Å; V789-M819 HydrophobicContact CG1-CE 4.26Å; V789-M819 HydrophobicContact CG2-CE 3.69Å; L792-M819 HydrophobicContact CB-SD 4.36Å; L793-M819 HydrophobicContact CD1-SD 4.39Å; L793-M819 HydrophobicContact CD2-CB 4.24Å; L793-M819 HydrophobicContact CD2-CG 3.76Å; L793-M819 HydrophobicContact CD2-SD 3.48Å; L793-M819 WeakPolarHBondContact CD2-SD 3Å; L793-M819 HydrophobicContact CG-CG 4.41Å; L793-M819 HydrophobicContact CG-SD 3.53Å; L793-M819 VanDerWaalsContact CG-SD 3.53Å; L815-M819 WeakPolarHBondContact O-CG 3.46Å; L815-M819 PolarHBondContact O-N 3.43Å; C816-M819 WeakPolarHBondContact O-CB 3.33Å; C816-M819 PolarHBondContact O-N 2.93Å; L817-M819 PolarHBondContact O-N 2.93Å
820P62.2Low70Confident18 Ų1851 Ų5112%0.11727%0.272CS..  trans-69.4147.2-150.34.2-0.7000115.6C776 I785 V789 R822 V826C776-P820 HydrophobicContact CB-CB 4.48Å; I785-P820 HydrophobicContact CB-CG 4.49Å; I785-P820 HydrophobicContact CD1-CG 4.41Å; I785-P820 HydrophobicContact CG2-CB 4.06Å; I785-P820 HydrophobicContact CG2-CG 3.12Å; V789-P820 HydrophobicContact CG2-CG 4.01Å; P820-R822 PolarHBondContact O-N 3.46Å; P820-V826 WeakPolarHBondContact O-CG2 3.4Å
821A49.4Very low69.6Low73 Ų7351.7 Ų51.760%0.60328%0.284SS*.  trans-76.1-9.5-170.100000117.4L823A821-L823 PolarHBondContact O-N 3.11Å
822R56.8Low69.2Low144 Ų14451.9 Ų51.954%0.54328%0.281SS..  trans-70.398.8178.4-78.2-168.8-176.1173.42.3109P820 S824 T825 V826P820-R822 PolarHBondContact O-N 3.46Å; R822-S824 PolarHBondContact O-N 3.19Å; R822-T825 WeakPolarHBondContact O-CA 3.1Å; R822-T825 WeakPolarHBondContact O-CB 3.29Å; R822-T825 PolarHBondContact O-N 3.15Å; R822-V826 PolarHBondContact O-N 3.24Å; R822-V826 VanDerWaalsContact O-N 3.16Å
823L55.1Low68.6Low65 Ų6552.2 Ų52.234%0.3428%0.283SS..Hα-helixtrans-45.2-34.6176.9-82.1158.1000113A821 T825 V826 R827 N864 W868A821-L823 PolarHBondContact O-N 3.11Å; L823-T825 PolarHBondContact O-N 3.45Å; L823-V826 PolarHBondContact O-N 3.49Å; L823-R827 WeakPolarHBondContact O-CB 3.11Å; L823-R827 PolarHBondContact O-N 3.3Å; L823-N864 HydrophobicContact CD1-CB 4.43Å; L823-W868 HydrophobicContact CD2-CZ2 4.01Å
824S64.7Low68.2Low93 Ų9354.8 Ų54.865%0.6530%0.295SS*.Hα-helixtrans-61.8-40.4175.655.80000113.6R822R822-S824 PolarHBondContact O-N 3.19Å
825T62.6Low67.9Low44 Ų4456.8 Ų56.827%0.2731%0.305SS..Hα-helixtrans-78.3-30.9179.7-42.20000111.2A786 R822 L823 P828 Y829A786-T825 HydrophobicContact CB-CG2 4.11Å; R822-T825 WeakPolarHBondContact O-CA 3.1Å; R822-T825 WeakPolarHBondContact O-CB 3.29Å; R822-T825 PolarHBondContact O-N 3.15Å; L823-T825 PolarHBondContact O-N 3.45Å; T825-P828 WeakPolarHBondContact O-CD 3.38Å; T825-Y829 VanDerWaalsContact O-CD2 3.31Å; T825-Y829 WeakPolarHBondContact O-CD2 3.46Å; T825-Y829 WeakPolarHBondContact O-CE2 3.42Å
826V62.8Low67.5Low11 Ų1156.8 Ų56.87%0.06731%0.305CS..Hα-helixtrans-82-26.6-178.9177.90000112.7P820 R822 L823 P828 Y829 L830 L833P820-V826 WeakPolarHBondContact O-CG2 3.4Å; R822-V826 PolarHBondContact O-N 3.24Å; R822-V826 VanDerWaalsContact O-N 3.16Å; L823-V826 PolarHBondContact O-N 3.49Å; V826-P828 WeakPolarHBondContact O-CD 3.49Å; V826-P828 VanDerWaalsContact O-N 3.14Å; V826-Y829 CarbonylContact O-C 3.52Å; V826-Y829 WeakPolarHBondContact O-CA 3.34Å; V826-Y829 PolarHBondContact O-N 3.1Å; V826-L830 HydrophobicContact CG1-CD2 4.12Å; V826-L830 HydrophobicContact CG1-CG 4.34Å; V826-L830 PolarHBondContact O-N 3.4Å; V826-L830 VanDerWaalsContact O-N 3.11Å; V826-L833 HydrophobicContact CG1-CD1 3.22Å
827R67.4Low67.2Low178 Ų17858.3 Ų58.367%0.67231%0.313SS*.G310 helixtrans-45.3-46.7-175.2-173.5178.5177.3-164.1-3.6115.3L823 Y829 L830L823-R827 WeakPolarHBondContact O-CB 3.11Å; L823-R827 PolarHBondContact O-N 3.3Å; R827-Y829 PolarHBondContact O-N 2.95Å; R827-L830 HydrophobicContact CG-CD1 4.43Å
828P68.7Low67.1Low90 Ų9059.5 Ų59.558%0.58433%0.326SS*.G310 helixtrans-71.6-13.6179.316.3-11000113.7T825 V826T825-P828 WeakPolarHBondContact O-CD 3.38Å; V826-P828 WeakPolarHBondContact O-CD 3.49Å; V826-P828 VanDerWaalsContact O-N 3.14Å
829Y71Confident67.2Low56 Ų5659.9 Ų59.922%0.2233%0.327CS..G310 helixtrans-113.77.3-174.1-45.6-54.4000112.9V789 F790 T825 V826 R827 S831 L832 L833V789-Y829 HydrophobicContact CG1-CD2 3.71Å; V789-Y829 HydrophobicContact CG1-CE2 4.05Å; V789-Y829 HydrophobicContact CG1-CG 4.46Å; F790-Y829 HydrophobicContact CB-CD1 4.09Å; F790-Y829 HydrophobicContact CB-CE1 3.59Å; F790-Y829 HydrophobicContact CB-CE2 4.49Å; F790-Y829 AromaticContact CD2-CD1 3.49Å; F790-Y829 HydrophobicContact CD2-CD1 3.49Å; F790-Y829 VanDerWaalsContact CD2-CD1 3.49Å; F790-Y829 AromaticContact CD2-CE1 3.47Å; F790-Y829 HydrophobicContact CD2-CE1 3.47Å; F790-Y829 VanDerWaalsContact CD2-CE1 3.47Å; F790-Y829 HydrophobicContact CE2-CD1 4.35Å; F790-Y829 HydrophobicContact CE2-CE1 4.4Å; F790-Y829 HydrophobicContact CG-CD1 4.21Å; F790-Y829 AromaticContact CG-CE1 3.81Å; F790-Y829 HydrophobicContact CG-CE1 3.81Å; T825-Y829 VanDerWaalsContact O-CD2 3.31Å; T825-Y829 WeakPolarHBondContact O-CD2 3.46Å; T825-Y829 WeakPolarHBondContact O-CE2 3.42Å; V826-Y829 CarbonylContact O-C 3.52Å; V826-Y829 WeakPolarHBondContact O-CA 3.34Å; V826-Y829 PolarHBondContact O-N 3.1Å; R827-Y829 PolarHBondContact O-N 2.95Å; Y829-S831 PolarHBondContact O-N 2.87Å; Y829-L832 WeakPolarHBondContact O-CB 3.43Å; Y829-L832 PolarHBondContact O-N 3.2Å; Y829-L833 PolarHBondContact O-N 2.96Å
830L69.6Low67.1Low39 Ų3959.3 Ų59.320%0.20432%0.324CS..Hα-helixtrans-53.8-40.4-179.4-82.9164.4000112.3V826 R827 L832 L833 M834 W868V826-L830 HydrophobicContact CG1-CD2 4.12Å; V826-L830 HydrophobicContact CG1-CG 4.34Å; V826-L830 PolarHBondContact O-N 3.4Å; V826-L830 VanDerWaalsContact O-N 3.11Å; R827-L830 HydrophobicContact CG-CD1 4.43Å; L830-L832 PolarHBondContact O-N 3.39Å; L830-L833 PolarHBondContact O-N 3.36Å; L830-M834 WeakPolarHBondContact O-CG 3.35Å; L830-M834 PolarHBondContact O-N 3.46Å; L830-W868 HydrophobicContact CD1-CH2 3.37Å; L830-W868 HydrophobicContact CD1-CZ2 3.96Å; L830-W868 HydrophobicContact CD1-CZ3 4.25Å
831S74.8Confident67.2Low94 Ų9463 Ų6366%0.65734%0.343SS*.Hα-helixtrans-58.4-33.1176.854.20000113.2Y829Y829-S831 PolarHBondContact O-N 2.87Å
832L72.7Confident68.1Low43 Ų4365.3 Ų65.323%0.22535%0.345CS..Hα-helixtrans-75.6-26.7175.9-62.6173.3000112.3F790 L793 N797 Y829 L830 P836F790-L832 HydrophobicContact CD2-CD1 3.8Å; F790-L832 HydrophobicContact CE2-CD1 3.82Å; L793-L832 HydrophobicContact CB-CD1 4.35Å; N797-L832 PolarHBondContact ND2-O 3.16Å; Y829-L832 WeakPolarHBondContact O-CB 3.43Å; Y829-L832 PolarHBondContact O-N 3.2Å; L830-L832 PolarHBondContact O-N 3.39Å; L832-P836 WeakPolarHBondContact O-CD 3.42Å
833L70.3Confident68.3Low8 Ų862.7 Ų62.74%0.04234%0.339CS..Hα-helixtrans-88.9-25.3179.2-74.2171.1000113.2L793 C816 V826 Y829 L830 E835 P836 I837L793-L833 HydrophobicContact CD1-CD1 4.46Å; L793-L833 HydrophobicContact CD1-CD2 4.15Å; L793-L833 HydrophobicContact CD1-CG 4.07Å; L793-L833 HydrophobicContact CD2-CD2 3.57Å; L793-L833 HydrophobicContact CD2-CG 4.36Å; C816-L833 WeakPolarHBondContact O-CD2 2.9Å; V826-L833 HydrophobicContact CG1-CD1 3.22Å; Y829-L833 PolarHBondContact O-N 2.96Å; L830-L833 PolarHBondContact O-N 3.36Å; L833-E835 VanDerWaalsContact C-N 3.3Å; L833-E835 PolarHBondContact O-N 3.44Å; L833-P836 WeakPolarHBondContact O-CD 3.35Å; L833-I837 HydrophobicContact CB-CD1 4.18Å; L833-I837 WeakPolarHBondContact O-CB 3.3Å; L833-I837 WeakPolarHBondContact O-CD1 3.32Å; L833-I837 WeakPolarHBondContact O-CG1 3.49Å; L833-I837 PolarHBondContact O-N 3.15Å
834M73.4Confident68.1Low68 Ų6862.4 Ų62.434%0.33534%0.342SS..Hα-helixtrans-60.5-38.8-178.9-76.3-50.6-53.500112.7L830 I837 A838 I879L830-M834 WeakPolarHBondContact O-CG 3.35Å; L830-M834 PolarHBondContact O-N 3.46Å; M834-I837 PolarHBondContact O-N 3.18Å; M834-A838 WeakPolarHBondContact O-CB 3.46Å; M834-A838 PolarHBondContact O-N 3.1Å; M834-I879 HydrophobicContact CE-CG2 3.28Å; M834-I879 HydrophobicContact CG-CG2 4.15Å; M834-I879 HydrophobicContact SD-CG2 3.65Å
835E72.3Confident67.3Low102 Ų10261.9 Ų61.948%0.47734%0.343SS..Hα-helixtrans-64.6-52.3179.1177.2-179.6-166.700112L833 I837 A838 V839L833-E835 VanDerWaalsContact C-N 3.3Å; L833-E835 PolarHBondContact O-N 3.44Å; E835-I837 VanDerWaalsContact C-N 3.33Å; E835-I837 PolarHBondContact O-N 3.06Å; E835-A838 PolarHBondContact O-N 3.23Å; E835-V839 WeakPolarHBondContact O-CG2 3.37Å; E835-V839 PolarHBondContact O-N 3.37Å
836P72.2Confident66.6Low1 Ų164 Ų641%0.00637%0.366CS..Hα-helixtrans-54-44.8169.1-27.231.9000113.5N797 L813 C816 L832 L833 A838 V839 A840N797-P836 WeakPolarHBondContact OD1-CG 3.35Å; L813-P836 HydrophobicContact CD1-CB 3.96Å; L813-P836 WeakPolarHBondContact CD1-O 3.45Å; C816-P836 HydrophobicContact CB-CB 3.95Å; C816-P836 HydrophobicContact CB-CG 4.01Å; L832-P836 WeakPolarHBondContact O-CD 3.42Å; L833-P836 WeakPolarHBondContact O-CD 3.35Å; P836-A838 PolarHBondContact O-N 3.35Å; P836-V839 PolarHBondContact O-N 2.82Å; P836-A840 WeakPolarHBondContact O-CB 3.47Å; P836-A840 PolarHBondContact O-N 3.35Å
837I70.5Confident65.4Low33 Ų3367 Ų6717%0.16939%0.386CS..Hα-helixtrans-61.7-43.6-179.4-69.5164.9000111.1L817 L833 M834 E835 A840 L841 F861L817-I837 HydrophobicContact CD2-CG1 3.67Å; L833-I837 HydrophobicContact CB-CD1 4.18Å; L833-I837 WeakPolarHBondContact O-CB 3.3Å; L833-I837 WeakPolarHBondContact O-CD1 3.32Å; L833-I837 WeakPolarHBondContact O-CG1 3.49Å; L833-I837 PolarHBondContact O-N 3.15Å; M834-I837 PolarHBondContact O-N 3.18Å; E835-I837 VanDerWaalsContact C-N 3.33Å; E835-I837 PolarHBondContact O-N 3.06Å; I837-A840 PolarHBondContact O-N 2.88Å; I837-L841 HydrophobicContact CG2-CD1 3.98Å; I837-L841 HydrophobicContact CG2-CG 4.45Å; I837-L841 VanDerWaalsContact O-CG 3.3Å; I837-L841 WeakPolarHBondContact O-CG 3.17Å; I837-L841 PolarHBondContact O-N 3.31Å; I837-F861 HydrophobicContact CD1-CE1 4.23Å
838A72.7Confident63.8Low49 Ų4967.8 Ų67.841%0.40540%0.398SS..Hα-helixtrans-61.6-46.5177.100000111.4M834 E835 P836 A840 L841 D842M834-A838 WeakPolarHBondContact O-CB 3.46Å; M834-A838 PolarHBondContact O-N 3.1Å; E835-A838 PolarHBondContact O-N 3.23Å; P836-A838 PolarHBondContact O-N 3.35Å; A838-A840 VanDerWaalsContact C-N 3.29Å; A838-A840 PolarHBondContact O-N 3.03Å; A838-L841 PolarHBondContact O-N 2.87Å; A838-D842 PolarHBondContact O-N 2.81Å
839V72.2Confident62Low36 Ų3669.9 Ų69.922%0.21840%0.403CS..Hα-helixtrans-58.9-43.1175.4174.70000110.8L813 E835 P836 L841 D842 H843L813-V839 HydrophobicContact CD1-CB 4.36Å; L813-V839 HydrophobicContact CD1-CG1 4.36Å; E835-V839 WeakPolarHBondContact O-CG2 3.37Å; E835-V839 PolarHBondContact O-N 3.37Å; P836-V839 PolarHBondContact O-N 2.82Å; V839-L841 PolarHBondContact O-N 3.21Å; V839-D842 PolarHBondContact O-N 3.12Å; V839-H843 VanDerWaalsContact CG1-CE1 3.42Å; V839-H843 WeakPolarHBondContact CG1-CE1 3.31Å; V839-H843 WeakPolarHBondContact CG1-ND1 3.49Å; V839-H843 PolarHBondContact O-N 2.76Å; V839-H843 PolarHBondContact O-ND1 2.91Å
840A68.6Low60.1Low1 Ų176 Ų761%0.00843%0.433CS..Hα-helixtrans-65.6-39.2-178.900000112.6L813 L817 P836 I837 A838 H843 S844 Y858L813-A840 HydrophobicContact CD1-CB 3.96Å; L813-A840 HydrophobicContact CD2-CB 3.79Å; L813-A840 HydrophobicContact CG-CB 4.08Å; L817-A840 HydrophobicContact CD1-CB 3.88Å; P836-A840 WeakPolarHBondContact O-CB 3.47Å; P836-A840 PolarHBondContact O-N 3.35Å; I837-A840 PolarHBondContact O-N 2.88Å; A838-A840 VanDerWaalsContact C-N 3.29Å; A838-A840 PolarHBondContact O-N 3.03Å; A840-H843 PolarHBondContact O-N 2.96Å; A840-S844 PolarHBondContact O-N 3.16Å; A840-Y858 HydrophobicContact CB-CE1 4.26Å; A840-Y858 WeakPolarHBondContact CB-OH 3.47Å; A840-Y858 PolarHBondContact O-OH 3.34Å
841L64.1Low58.5Low95 Ų9578.5 Ų78.550%0.49745%0.45SS..Hα-helixtrans-63.4-44.6174.7-71.7169.1000111.4I837 A838 V839 H843 S844 A845I837-L841 HydrophobicContact CG2-CD1 3.98Å; I837-L841 HydrophobicContact CG2-CG 4.45Å; I837-L841 VanDerWaalsContact O-CG 3.3Å; I837-L841 WeakPolarHBondContact O-CG 3.17Å; I837-L841 PolarHBondContact O-N 3.31Å; A838-L841 PolarHBondContact O-N 2.87Å; V839-L841 PolarHBondContact O-N 3.21Å; L841-H843 PolarHBondContact O-N 3.46Å; L841-S844 PolarHBondContact O-N 3.46Å; L841-S844 PolarHBondContact O-OG 2.94Å; L841-A845 PolarHBondContact O-N 3.08Å
842D67.6Low56.6Low122 Ų12279.6 Ų79.665%0.65246%0.458SS*.Hα-helixtrans-62.2-40176.2-78.3-15000112.4A838 V839 A845A838-D842 PolarHBondContact O-N 2.81Å; V839-D842 PolarHBondContact O-N 3.12Å; D842-A845 PolarHBondContact O-N 3.37Å
843H60.7Low54.7Low89 Ų8985.2 Ų85.241%0.41248%0.483SS..Hα-helixtrans-69.7-36.5179-76.269.2000112.8V839 A840 L841 A846 S847V839-H843 VanDerWaalsContact CG1-CE1 3.42Å; V839-H843 WeakPolarHBondContact CG1-CE1 3.31Å; V839-H843 WeakPolarHBondContact CG1-ND1 3.49Å; V839-H843 PolarHBondContact O-N 2.76Å; V839-H843 PolarHBondContact O-ND1 2.91Å; A840-H843 PolarHBondContact O-N 2.96Å; L841-H843 PolarHBondContact O-N 3.46Å; H843-A846 PolarHBondContact O-N 3.14Å; H843-S847 PolarHBondContact O-N 3.05Å; H843-S847 PolarHBondContact O-OG 3.26Å
844S51.7Low53.1Low58 Ų5886.8 Ų86.841%0.40650%0.495SS..Hα-helixtrans-68-34.4177.573.20000112.6A840 L841 A846 S847A840-S844 PolarHBondContact O-N 3.16Å; L841-S844 PolarHBondContact O-N 3.46Å; L841-S844 PolarHBondContact O-OG 2.94Å; S844-A846 PolarHBondContact O-N 2.83Å; S844-S847 PolarHBondContact O-N 2.99Å
845A48Very low51.4Low83 Ų8386 Ų8669%0.68650%0.499SS*.Hα-helixtrans-65.5-28.1175.600000112.3L841 D842L841-A845 PolarHBondContact O-N 3.08Å; D842-A845 PolarHBondContact O-N 3.37Å
846A46.3Very low49.8Very low89 Ų8988.5 Ų88.574%0.73651%0.505SS*.Hα-helixtrans-86.8-21.1179.700000114.4H843 S844H843-A846 PolarHBondContact O-N 3.14Å; S844-A846 PolarHBondContact O-N 2.83Å
847S39.1Very low48.4Very low72 Ų7291.3 Ų91.350%0.50352%0.519SS..  trans-115.481.9-172.652.50000112.5H843 S844 I849H843-S847 PolarHBondContact O-N 3.05Å; H843-S847 PolarHBondContact O-OG 3.26Å; S844-S847 PolarHBondContact O-N 2.99Å; S847-I849 PolarHBondContact O-N 2.87Å
848Q33.7Very low47Very low195 Ų19593.1 Ų93.191%0.91153%0.525SS*.  trans-69.422176-80.4-170.8-13.900115.3
849I31.2Very low45.5Very low135 Ų13593.5 Ų93.569%0.69252%0.524SS*.SBendtrans-134111.7-170.1-55.5178.8000111.6S847S847-I849 PolarHBondContact O-N 2.87Å
850Q30.5Very low44Very low184 Ų18496.2 Ų96.286%0.8653%0.534SS*.  trans60.572.5156.7-66.2-179.1-20.200119.1
851V35.1Very low42.7Very low92 Ų9299.5 Ų99.556%0.55855%0.548SS*.  trans-14090.9158.2-155.10000112S854V851-S854 VanDerWaalsContact CB-OG 3.24Å; V851-S854 WeakPolarHBondContact CB-OG 3.28Å; V851-S854 WeakPolarHBondContact CG1-OG 3.14Å
852S34.9Very low41.6Very low116 Ų11698.7 Ų98.781%0.81155%0.551SS**THydrogen-bonded Turntrans-79.4-17.6176480000114
853E34.1Very low40.2Very low162 Ų162101.7 Ų101.776%0.75755%0.554SS**THydrogen-bonded Turntrans-91.3-38.6178.4-84.6-174.9154.700113.8A855 Y856E853-A855 VanDerWaalsContact C-N 3.25Å; E853-A855 PolarHBondContact O-N 2.87Å; E853-Y856 PolarHBondContact O-N 2.99Å; E853-Y856 VanDerWaalsContact O-N 3.14Å
854S37Very low39.1Very low41 Ų41100.4 Ų100.429%0.28755%0.551SS.*Hα-helixtrans-65.1-34.3176.265.70000111V851 Y856 I857 Y858V851-S854 VanDerWaalsContact CB-OG 3.24Å; V851-S854 WeakPolarHBondContact CB-OG 3.28Å; V851-S854 WeakPolarHBondContact CG1-OG 3.14Å; S854-Y856 PolarHBondContact O-N 3.3Å; S854-Y856 VanDerWaalsContact O-N 3.08Å; S854-I857 PolarHBondContact O-N 2.89Å; S854-Y858 WeakPolarHBondContact O-CD2 3.47Å; S854-Y858 PolarHBondContact O-N 3.03Å
855A37.1Very low38.4Very low51 Ų51100.3 Ų100.342%0.42155%0.553SS.*Hα-helixtrans-54.9-27.5174.700000113E853 S859E853-A855 VanDerWaalsContact C-N 3.25Å; E853-A855 PolarHBondContact O-N 2.87Å; A855-S859 WeakPolarHBondContact O-CA 3.41Å; A855-S859 WeakPolarHBondContact O-CB 3.31Å; A855-S859 PolarHBondContact O-N 2.67Å; A855-S859 PolarHBondContact O-OG 2.9Å
856Y39.2Very low37.9Very low155 Ų15598.8 Ų98.861%0.60854%0.538SS*.Hα-helixtrans-72.8-44.5176.3-161.2-93.3000112E853 S854 Y858 S859 Q860E853-Y856 PolarHBondContact O-N 2.99Å; E853-Y856 VanDerWaalsContact O-N 3.14Å; S854-Y856 PolarHBondContact O-N 3.3Å; S854-Y856 VanDerWaalsContact O-N 3.08Å; Y856-Y858 VanDerWaalsContact C-N 3.35Å; Y856-S859 PolarHBondContact O-N 2.86Å; Y856-S859 PolarHBondContact O-OG 3.33Å; Y856-Q860 HydrophobicContact CE1-CG 4.41Å; Y856-Q860 PolarHBondContact O-N 3.02Å
857I41.2Very low37.4Very low60 Ų6097.1 Ų97.131%0.30852%0.524SS..Hα-helixtrans-63.6-43.2174.3-59.9-178.9000109.9S854 S859 Q860 F861S854-I857 PolarHBondContact O-N 2.89Å; I857-S859 VanDerWaalsContact C-N 3.35Å; I857-S859 PolarHBondContact O-N 3.28Å; I857-Q860 PolarHBondContact O-N 3.4Å; I857-F861 HydrophobicContact CG2-CD2 4.36Å; I857-F861 PolarHBondContact O-N 3.11Å
858Y43.1Very low37.2Very low71 Ų7198.1 Ų98.128%0.27852%0.517SS..Hα-helixtrans-62.7-39.6173.2-78.6-71.5000112.3A840 S854 Y856 Q860 F861 S862A840-Y858 HydrophobicContact CB-CE1 4.26Å; A840-Y858 WeakPolarHBondContact CB-OH 3.47Å; A840-Y858 PolarHBondContact O-OH 3.34Å; S854-Y858 WeakPolarHBondContact O-CD2 3.47Å; S854-Y858 PolarHBondContact O-N 3.03Å; Y856-Y858 VanDerWaalsContact C-N 3.35Å; Y858-Q860 VanDerWaalsContact C-N 3.34Å; Y858-F861 PolarHBondContact O-N 3.41Å; Y858-S862 WeakPolarHBondContact O-CB 3.25Å; Y858-S862 PolarHBondContact O-N 3.24Å
859S39.8Very low37.3Very low56 Ų5692.1 Ų92.139%0.39250%0.496SS..Hα-helixtrans-66.6-38.3176.379.30000110.6A855 Y856 I857 S862 Y863A855-S859 WeakPolarHBondContact O-CA 3.41Å; A855-S859 WeakPolarHBondContact O-CB 3.31Å; A855-S859 PolarHBondContact O-N 2.67Å; A855-S859 PolarHBondContact O-OG 2.9Å; Y856-S859 PolarHBondContact O-N 2.86Å; Y856-S859 PolarHBondContact O-OG 3.33Å; I857-S859 VanDerWaalsContact C-N 3.35Å; I857-S859 PolarHBondContact O-N 3.28Å; S859-S862 PolarHBondContact O-N 2.88Å; S859-Y863 WeakPolarHBondContact O-CA 3.5Å; S859-Y863 WeakPolarHBondContact O-CB 3.12Å; S859-Y863 PolarHBondContact O-N 2.92Å
860Q40.8Very low37.5Very low94 Ų9492.8 Ų92.844%0.43950%0.5SS..Hα-helixtrans-68.2-40.4175-92.7178.8-18.700112Y856 I857 Y858 N864Y856-Q860 HydrophobicContact CE1-CG 4.41Å; Y856-Q860 PolarHBondContact O-N 3.02Å; I857-Q860 PolarHBondContact O-N 3.4Å; Y858-Q860 VanDerWaalsContact C-N 3.34Å; Q860-N864 WeakPolarHBondContact O-CB 3.13Å; Q860-N864 PolarHBondContact O-N 2.73Å; Q860-N864 PolarHBondContact O-ND2 3.35Å; Q860-N864 VanDerWaalsContact O-ND2 3.14Å
861F42.4Very low37.7Very low69 Ų6992.6 Ų92.630%0.30350%0.497SS..Hα-helixtrans-69.1-40.5174.8-103-82.2000112.1I837 I857 Y858 N864 A865I837-F861 HydrophobicContact CD1-CE1 4.23Å; I857-F861 HydrophobicContact CG2-CD2 4.36Å; I857-F861 PolarHBondContact O-N 3.11Å; Y858-F861 PolarHBondContact O-N 3.41Å; F861-N864 CarbonylContact O-C 3.41Å; F861-N864 PolarHBondContact O-N 2.64Å; F861-A865 WeakPolarHBondContact O-CA 3.48Å; F861-A865 WeakPolarHBondContact O-CB 3.48Å; F861-A865 PolarHBondContact O-N 3.4Å
862S40.1Very low37.6Very low78 Ų7893 Ų9355%0.54550%0.496SS..Hα-helixtrans-68.4-39.8175.9178.90000111.8Y858 S859 A865 S866Y858-S862 WeakPolarHBondContact O-CB 3.25Å; Y858-S862 PolarHBondContact O-N 3.24Å; S859-S862 PolarHBondContact O-N 2.88Å; S862-A865 PolarHBondContact O-N 2.64Å; S862-S866 WeakPolarHBondContact O-CB 3.28Å; S862-S866 PolarHBondContact O-N 2.72Å; S862-S866 PolarHBondContact O-OG 3.28Å
863Y38Very low37.5Very low185 Ų18592.1 Ų92.173%0.72549%0.487SS*.Hα-helixtrans-67.4-37.8174.6-157.8-89.6000111S859 S866 A867S859-Y863 WeakPolarHBondContact O-CA 3.5Å; S859-Y863 WeakPolarHBondContact O-CB 3.12Å; S859-Y863 PolarHBondContact O-N 2.92Å; Y863-S866 WeakPolarHBondContact CA-OG 3.42Å; Y863-S866 PolarHBondContact O-OG 2.86Å; Y863-A867 PolarHBondContact O-N 3.16Å
864N37.5Very low37.6Very low63 Ų6392.4 Ų92.434%0.33749%0.488SS..Hα-helixtrans-76.7-29.9174-72.9-29.1000113.1L823 Q860 F861 A867 W868L823-N864 HydrophobicContact CD1-CB 4.43Å; Q860-N864 WeakPolarHBondContact O-CB 3.13Å; Q860-N864 PolarHBondContact O-N 2.73Å; Q860-N864 PolarHBondContact O-ND2 3.35Å; Q860-N864 VanDerWaalsContact O-ND2 3.14Å; F861-N864 CarbonylContact O-C 3.41Å; F861-N864 PolarHBondContact O-N 2.64Å; N864-A867 WeakPolarHBondContact O-CB 3.47Å; N864-A867 PolarHBondContact O-N 3.05Å; N864-W868 VanDerWaalsContact O-CD1 3.27Å; N864-W868 PolarHBondContact O-N 3.14Å
865A37.9Very low37.4Very low55 Ų5597.7 Ų97.746%0.45551%0.506SS..Hα-helixtrans-76.9-33.4175.700000111.7F861 S862 A867 W868 S869F861-A865 WeakPolarHBondContact O-CA 3.48Å; F861-A865 WeakPolarHBondContact O-CB 3.48Å; F861-A865 PolarHBondContact O-N 3.4Å; S862-A865 PolarHBondContact O-N 2.64Å; A865-A867 VanDerWaalsContact C-N 3.27Å; A865-A867 PolarHBondContact O-N 3.12Å; A865-W868 WeakPolarHBondContact O-CA 3.36Å; A865-W868 VanDerWaalsContact O-CB 3.22Å; A865-W868 WeakPolarHBondContact O-CB 3.44Å; A865-W868 PolarHBondContact O-N 3.18Å; A865-S869 PolarHBondContact O-N 2.94Å
866S37.6Very low36.9Very low52 Ų5297.7 Ų97.736%0.36450%0.502SS..Hα-helixtrans-66.4-32.6168.248.80000111.3S862 Y863 W868 S869 L870S862-S866 WeakPolarHBondContact O-CB 3.28Å; S862-S866 PolarHBondContact O-N 2.72Å; S862-S866 PolarHBondContact O-OG 3.28Å; Y863-S866 WeakPolarHBondContact CA-OG 3.42Å; Y863-S866 PolarHBondContact O-OG 2.86Å; S866-W868 PolarHBondContact O-N 3.48Å; S866-S869 PolarHBondContact O-N 3.19Å; S866-L870 PolarHBondContact O-N 3.05Å
867A34.2Very low36.4Very low54 Ų54101.4 Ų101.445%0.44652%0.515SS..Hα-helixtrans-64.2-23.2167.500000113.1Y863 N864 A865Y863-A867 PolarHBondContact O-N 3.16Å; N864-A867 WeakPolarHBondContact O-CB 3.47Å; N864-A867 PolarHBondContact O-N 3.05Å; A865-A867 VanDerWaalsContact C-N 3.27Å; A865-A867 PolarHBondContact O-N 3.12Å
868W36.7Very low35.9Very low93 Ų93104.9 Ų104.935%0.35254%0.539SS..Hα-helixtrans-74.9-43.7170.1-83.948.9000112.5L823 L830 N864 A865 S866 L870 K871 I879L823-W868 HydrophobicContact CD2-CZ2 4.01Å; L830-W868 HydrophobicContact CD1-CH2 3.37Å; L830-W868 HydrophobicContact CD1-CZ2 3.96Å; L830-W868 HydrophobicContact CD1-CZ3 4.25Å; N864-W868 VanDerWaalsContact O-CD1 3.27Å; N864-W868 PolarHBondContact O-N 3.14Å; A865-W868 WeakPolarHBondContact O-CA 3.36Å; A865-W868 VanDerWaalsContact O-CB 3.22Å; A865-W868 WeakPolarHBondContact O-CB 3.44Å; A865-W868 PolarHBondContact O-N 3.18Å; S866-W868 PolarHBondContact O-N 3.48Å; W868-L870 VanDerWaalsContact C-N 3.3Å; W868-L870 PolarHBondContact O-N 3.49Å; W868-K871 PolarHBondContact O-N 3.37Å; W868-I879 HydrophobicContact CE3-CD1 4.32Å; W868-I879 HydrophobicContact CZ3-CD1 4.03Å
869S34.2Very low35.1Very low68 Ų68107.6 Ų107.648%0.47656%0.557SS.*Hα-helixtrans-66.5-32.9-176.393.10000112.6A865 S866 K871A865-S869 PolarHBondContact O-N 2.94Å; S866-S869 PolarHBondContact O-N 3.19Å; S869-K871 PolarHBondContact O-N 3.36Å
870L35.3Very low34.9Very low150 Ų150110.2 Ų110.279%0.78557%0.566SS**THydrogen-bonded Turntrans-75.4-20.1-179.4-89.3153000114.5S866 W868S866-L870 PolarHBondContact O-N 3.05Å; W868-L870 VanDerWaalsContact C-N 3.3Å; W868-L870 PolarHBondContact O-N 3.49Å
871K35.6Very low34.6Very low180 Ų180111.1 Ų111.178%0.78357%0.572SS**THydrogen-bonded Turntrans-103.5-12.9-175.7-84.1-170.4176.4-178.70115.9W868 S869W868-K871 PolarHBondContact O-N 3.37Å; S869-K871 PolarHBondContact O-N 3.36Å
872N33.5Very low34.2Very low100 Ų100113.4 Ų113.454%0.53559%0.587SS.*  trans-169.292.7168.6-106.2-42.9000111.9E874 K875N872-E874 PolarHBondContact O-N 2.8Å; N872-K875 PolarHBondContact O-N 2.91Å
873P32.5Very low33.8Very low97 Ų97115.5 Ų115.563%0.6359%0.59SS**G310 helixtrans-62.6-27.8-179.922.5-31.3000113.1K875 C876P873-K875 VanDerWaalsContact C-N 3.31Å; P873-K875 PolarHBondContact O-N 3.1Å; P873-C876 PolarHBondContact O-N 3.05Å
874E36.8Very low33.5Very low169 Ų169111.1 Ų111.179%0.7958%0.581SS**G310 helixtrans-69.5-23.2-177.5-69.3-159.1154.200114.4N872N872-E874 PolarHBondContact O-N 2.8Å
875K31Very low33.3Very low151 Ų151114.3 Ų114.366%0.65760%0.598SS**G310 helixtrans-88.1-12.8177.7-80.7-174.9178175.60114.2N872 P873 R877N872-K875 PolarHBondContact O-N 2.91Å; P873-K875 VanDerWaalsContact C-N 3.31Å; P873-K875 PolarHBondContact O-N 3.1Å; K875-R877 VanDerWaalsContact C-N 3.29Å; K875-R877 PolarHBondContact O-N 3.3Å
876C28.2Very low32.9Very low51 Ų51118.6 Ų118.635%0.34561%0.608SS.*G310 helixtrans-76.3-13.3176.3-78.50000113.5P873 V878P873-C876 PolarHBondContact O-N 3.05Å; C876-V878 PolarHBondContact O-N 3.27Å
877R28.9Very low32.6Very low233 Ų233123.7 Ų123.788%0.87963%0.627SS**G310 helixtrans-73.3-9.3174.5-91.6-173.7173.8-179.2-1.1114.6K875K875-R877 VanDerWaalsContact C-N 3.29Å; K875-R877 PolarHBondContact O-N 3.3Å
878V30.8Very low32.5Very low134 Ų134129.5 Ų129.581%0.81264%0.642SS**G310 helixtrans-100.2-6-179.1-174.20000112C876C876-V878 PolarHBondContact O-N 3.27Å
879I26.1Very low32.1Very low128 Ų128132.8 Ų132.866%0.65667%0.668SS**  trans-99.60168.9-56177.2000107M834 W868M834-I879 HydrophobicContact CE-CG2 3.28Å; M834-I879 HydrophobicContact CG-CG2 4.15Å; M834-I879 HydrophobicContact SD-CG2 3.65Å; W868-I879 HydrophobicContact CE3-CD1 4.32Å; W868-I879 HydrophobicContact CZ3-CD1 4.03Å

Retrieved 879 of 879 residues in 626.5 ms (Link to these results)

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