A0A077Z5M6_TRITR Loading...

DNA repair protein RAD50

AlphaFold DB , UniProt , Accession A0A077Z5M6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 656 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
1M42.1Very low72.7Confident129 Ų12938.8 Ų38.864%0.63520%0.204SC*.  0125.10-84.1-168.5-76.900107.8E3M1-E3 PolarHBondContact O-N 3.17Å
2A54Low73.3Confident56 Ų5635.6 Ų35.646%0.46319%0.187SC..EExtended strand (participates in β ladder)trans-73.9119.916600000107.5F86 I93A2-F86 HydrophobicContact CB-CB 4.33Å; A2-F86 HydrophobicContact CB-CD1 3.9Å; A2-F86 HydrophobicContact CB-CG 4.28Å; A2-I93 HydrophobicContact CB-CD1 4.06Å
3E66.1Low73.9Confident69 Ų6939.8 Ų39.832%0.32220%0.199SC..EExtended strand (participates in β ladder)trans-103129.4-179.4-65.1-170.6135.200109.9M1 V5 K28 F86 E87M1-E3 PolarHBondContact O-N 3.17Å; E3-V5 HydrophobicContact CB-CG2 4.41Å; E3-V5 PolarHBondContact O-N 2.96Å; E3-V5 VanDerWaalsContact O-N 3.12Å; E3-K28 IonicContact OE1-NZ 2.6Å; E3-K28 PolarHBondContact OE1-NZ 3.04Å; E3-K28 IonicContact OE2-NZ 3.4Å; E3-K28 PolarHBondContact OE2-NZ 3.36Å; E3-F86 CarbonylContact O-C 3.52Å; E3-F86 WeakPolarHBondContact O-CA 3.48Å; E3-E87 PolarHBondContact N-O 3.41Å; E3-E87 PolarHBondContact O-N 2.8Å
4L70.7Confident73.9Confident60 Ų6042 Ų4231%0.31422%0.22SC..EExtended strand (participates in β ladder)trans-71.1107.6176.5-177.770.1000109.4G6 F26 F84 F86L4-G6 WeakPolarHBondContact CD1-O 3.49Å; L4-F26 HydrophobicContact CD1-CE2 4.29Å; L4-F26 HydrophobicContact CD2-CD2 3.86Å; L4-F26 HydrophobicContact CD2-CE2 3.48Å; L4-F26 VanDerWaalsContact CD2-CE2 3.48Å; L4-F26 HydrophobicContact CD2-CZ 4.19Å; L4-F26 HydrophobicContact CG-CD2 3.71Å; L4-F26 HydrophobicContact CG-CE2 3.66Å; L4-F84 HydrophobicContact CD1-CB 3.64Å; L4-F84 HydrophobicContact CD1-CD1 3.45Å; L4-F84 VanDerWaalsContact CD1-CD1 3.45Å; L4-F84 HydrophobicContact CD1-CE1 4.25Å; L4-F84 HydrophobicContact CD1-CG 3.77Å; L4-F84 HydrophobicContact CD2-CD1 4.35Å; L4-F84 HydrophobicContact CD2-CE1 4.37Å; L4-F86 HydrophobicContact CB-CD1 4.35Å; L4-F86 HydrophobicContact CB-CE1 4.11Å; L4-F86 HydrophobicContact CD1-CE1 4.09Å; L4-F86 HydrophobicContact CD1-CZ 4.16Å
5V79.8Confident74.1Confident27 Ų2739.5 Ų39.516%0.16421%0.207CC..EExtended strand (participates in β ladder)trans-105.6-22-176.2170.40000112.7E3 R25 F26 Y85 E87E3-V5 HydrophobicContact CB-CG2 4.41Å; E3-V5 PolarHBondContact O-N 2.96Å; E3-V5 VanDerWaalsContact O-N 3.12Å; V5-R25 CarbonylContact O-C 3.56Å; V5-R25 VanDerWaalsContact O-CA 3.28Å; V5-R25 WeakPolarHBondContact O-CA 3.4Å; V5-F26 PolarHBondContact O-N 3.09Å; V5-Y85 PolarHBondContact N-O 3.3Å; V5-E87 HydrophobicContact CB-CB 3.82Å; V5-E87 HydrophobicContact CG1-CB 4.28Å; V5-E87 HydrophobicContact CG2-CB 3.16Å; V5-E87 HydrophobicContact CG2-CG 4.33Å; V5-E87 WeakPolarHBondContact CG2-OE2 3.44Å
6G82.8Confident73.7Confident1 Ų139.9 Ų39.91%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-160.3171.8169.100000114.3L4 I24 Y85L4-G6 WeakPolarHBondContact CD1-O 3.49Å; G6-I24 CarbonylContact C-O 3.57Å; G6-I24 WeakPolarHBondContact CA-O 3.33Å; G6-Y85 PolarHBondContact N-O 3.37Å; G6-Y85 PolarHBondContact O-N 2.81Å
7M83.9Confident73.2Confident0 Ų038.6 Ų38.60%021%0.208CC..EExtended strand (participates in β ladder)trans-136.6129.1175.4-179.817958.400108.5I9 V23 I24 F26 I44 C47 L48 V82 D83 F84M7-I9 HydrophobicContact CE-CD1 3.59Å; M7-I9 HydrophobicContact CE-CG1 3.79Å; M7-I9 HydrophobicContact CG-CG1 4.15Å; M7-I9 HydrophobicContact SD-CG1 4.24Å; M7-V23 WeakPolarHBondContact O-CA 3.39Å; M7-I24 HydrophobicContact CE-CD1 4.22Å; M7-I24 PolarHBondContact N-O 2.71Å; M7-I24 PolarHBondContact O-N 3.15Å; M7-F26 HydrophobicContact CB-CE2 3.8Å; M7-F26 HydrophobicContact CB-CZ 3.85Å; M7-F26 HydrophobicContact CE-CZ 4.27Å; M7-I44 HydrophobicContact CE-CG2 3.78Å; M7-C47 HydrophobicContact CE-CB 4.39Å; M7-C47 HydrophobicContact SD-CB 4.25Å; M7-L48 HydrophobicContact CE-CD1 4.29Å; M7-L48 HydrophobicContact SD-CB 4.38Å; M7-L48 HydrophobicContact SD-CG 4.35Å; M7-V82 HydrophobicContact CG-CG1 3.72Å; M7-V82 HydrophobicContact SD-CG1 3.77Å; M7-D83 CarbonylContact C-O 3.54Å; M7-D83 WeakPolarHBondContact CA-O 3.28Å; M7-F84 HydrophobicContact CB-CD1 3.97Å; M7-F84 HydrophobicContact CB-CE1 4.18Å; M7-F84 HydrophobicContact CG-CD1 3.87Å; M7-F84 HydrophobicContact CG-CE1 3.8Å; M7-F84 HydrophobicContact SD-CD1 4.35Å; M7-F84 HydrophobicContact SD-CE1 3.66Å; M7-F84 HydrophobicContact SD-CZ 4.46Å
8L82.6Confident72.4Confident12 Ų1242.1 Ų42.16%0.06323%0.227CC..EExtended strand (participates in β ladder)trans-93.1128.5168.7-176.8141.8000108.2R10 A21 Q22 V23 V82 D83 Y85L8-R10 HydrophobicContact CD2-CB 4.43Å; L8-R10 HydrophobicContact CD2-CG 3.9Å; L8-A21 HydrophobicContact CD1-CB 3.41Å; L8-A21 VanDerWaalsContact CD1-CB 3.41Å; L8-A21 HydrophobicContact CD2-CB 3.97Å; L8-A21 HydrophobicContact CG-CB 3.58Å; L8-Q22 WeakPolarHBondContact CA-O 3.33Å; L8-V23 HydrophobicContact CB-CG2 4.47Å; L8-V23 HydrophobicContact CD1-CG2 4.06Å; L8-V23 HydrophobicContact CG-CG2 4.41Å; L8-V82 VanDerWaalsContact O-CA 3.31Å; L8-V82 WeakPolarHBondContact O-CA 3.27Å; L8-D83 HydrophobicContact CB-CB 4.09Å; L8-D83 HydrophobicContact CD2-CB 4.44Å; L8-D83 PolarHBondContact N-O 3.27Å; L8-D83 PolarHBondContact O-N 2.94Å; L8-D83 VanDerWaalsContact O-N 3.11Å; L8-Y85 HydrophobicContact CB-CE2 3.8Å; L8-Y85 HydrophobicContact CD1-CE2 4.3Å; L8-Y85 WeakPolarHBondContact CD1-OH 3.36Å
9I82.1Confident71.6Confident1 Ų147.9 Ų47.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-116.6127174.9-51.1174.5000109M7 I12 F15 Q22 I24 I44 C47M7-I9 HydrophobicContact CE-CD1 3.59Å; M7-I9 HydrophobicContact CE-CG1 3.79Å; M7-I9 HydrophobicContact CG-CG1 4.15Å; M7-I9 HydrophobicContact SD-CG1 4.24Å; I9-I12 HydrophobicContact CG2-CB 4.21Å; I9-I12 HydrophobicContact CG2-CD1 4.31Å; I9-F15 HydrophobicContact CB-CD1 4.24Å; I9-F15 HydrophobicContact CB-CD2 4.46Å; I9-F15 HydrophobicContact CB-CG 4.2Å; I9-F15 HydrophobicContact CD1-CE1 4.28Å; I9-F15 HydrophobicContact CD1-CE2 4.05Å; I9-F15 HydrophobicContact CD1-CZ 3.95Å; I9-F15 HydrophobicContact CG2-CB 3.9Å; I9-F15 HydrophobicContact CG2-CD1 4.17Å; I9-F15 HydrophobicContact CG2-CD2 3.63Å; I9-F15 HydrophobicContact CG2-CE2 4.2Å; I9-F15 HydrophobicContact CG2-CG 3.63Å; I9-Q22 PolarHBondContact N-O 3.35Å; I9-Q22 PolarHBondContact O-N 3.32Å; I9-I24 HydrophobicContact CD1-CD1 3.77Å; I9-I44 HydrophobicContact CD1-CB 4.34Å; I9-I44 HydrophobicContact CD1-CG1 3.92Å; I9-I44 HydrophobicContact CD1-CG2 4.33Å; I9-C47 HydrophobicContact CD1-CB 4.06Å; I9-C47 HydrophobicContact CG1-CB 4.32Å
10R79.5Confident71.1Confident72 Ų7255 Ų5527%0.27229%0.286SS..  trans-136.9145.8172.7-80.8-176160.3169.7-2.8110.7L8 I12 D19 A21 M81L8-R10 HydrophobicContact CD2-CB 4.43Å; L8-R10 HydrophobicContact CD2-CG 3.9Å; R10-I12 VanDerWaalsContact C-N 3.28Å; R10-I12 PolarHBondContact O-N 3.42Å; R10-I12 VanDerWaalsContact O-N 3.17Å; R10-D19 VanDerWaalsContact NH2-C 3.35Å; R10-D19 PolarHBondContact NH2-O 2.88Å; R10-A21 HydrophobicContact CG-CB 3.77Å; R10-M81 PolarHBondContact N-O 2.82Å; R10-M81 WeakPolarHBondContact O-CB 3.39Å
11G76Confident71Confident0 Ų053.7 Ų53.70%028%0.284CS..SBendtrans68.813.2169.200000117F15 S16 R67G11-F15 PolarHBondContact N-O 3.03Å; G11-S16 PolarHBondContact N-O 3.09Å; G11-R67 PolarHBondContact O-N 3.43Å
12I80.7Confident72.7Confident0 Ų052.7 Ų52.70%028%0.278CS..BIsolated β-bridgetrans-110.7121.3-179.6-63.4175.7000110.8I9 R10 S14 F15 T43 C47 F65 V82I9-I12 HydrophobicContact CG2-CB 4.21Å; I9-I12 HydrophobicContact CG2-CD1 4.31Å; R10-I12 VanDerWaalsContact C-N 3.28Å; R10-I12 PolarHBondContact O-N 3.42Å; R10-I12 VanDerWaalsContact O-N 3.17Å; I12-S14 PolarHBondContact O-N 3.33Å; I12-F15 PolarHBondContact N-O 3.38Å; I12-F15 WeakPolarHBondContact O-CB 3.4Å; I12-F15 WeakPolarHBondContact O-CD2 3.32Å; I12-F15 PolarHBondContact O-N 3.08Å; I12-T43 HydrophobicContact CG2-CG2 3.82Å; I12-C47 HydrophobicContact CD1-CB 4.36Å; I12-C47 WeakPolarHBondContact CD1-SG 3.49Å; I12-F65 HydrophobicContact CD1-CE1 4.45Å; I12-F65 HydrophobicContact CD1-CZ 4.47Å; I12-F65 HydrophobicContact CG2-CD2 3.91Å; I12-F65 HydrophobicContact CG2-CE1 4.26Å; I12-F65 HydrophobicContact CG2-CE2 3.49Å; I12-F65 VanDerWaalsContact CG2-CE2 3.49Å; I12-F65 HydrophobicContact CG2-CG 4.47Å; I12-F65 HydrophobicContact CG2-CZ 3.69Å; I12-V82 HydrophobicContact CD1-CG2 3.28Å
13R80.1Confident74Confident91 Ų9153.5 Ų53.534%0.34328%0.277SS..THydrogen-bonded Turntrans42.3-106.3-178.1-65.2-174.21721666.9113.4T43 E46 F65 R67R13-T43 HydrophobicContact CB-CG2 4Å; R13-T43 HydrophobicContact CG-CG2 4.3Å; R13-E46 IonicContact CZ-OE1 3.69Å; R13-E46 IonicContact CZ-OE2 2.9Å; R13-E46 IonicContact NE-OE2 3.76Å; R13-E46 VanDerWaalsContact NH1-CD 3.29Å; R13-E46 IonicContact NH1-OE1 2.83Å; R13-E46 PolarHBondContact NH1-OE1 2.96Å; R13-E46 VanDerWaalsContact NH1-OE1 3.08Å; R13-E46 IonicContact NH1-OE2 2.83Å; R13-E46 PolarHBondContact NH1-OE2 3.15Å; R13-E46 IonicContact NH2-OE1 3.34Å; R13-E46 PolarHBondContact NH2-OE1 2.88Å; R13-E46 IonicContact NH2-OE2 3.72Å; R13-E46 PolarHBondContact NH2-OE2 3.48Å; R13-F65 HydrophobicContact CG-CD2 4.24Å; R13-F65 PolarHBondContact N-O 2.86Å; R13-R67 PolarHBondContact O-NE 3.46Å; R13-R67 VanDerWaalsContact O-NE 3.16Å; R13-R67 PolarHBondContact O-NH2 3.16Å
14S74.4Confident74.8Confident70 Ų7051.5 Ų51.549%0.4927%0.268SS..THydrogen-bonded Turntrans-81.9-13.4-177.451.80000114.1I12 S16I12-S14 PolarHBondContact O-N 3.33Å; S14-S16 PolarHBondContact O-N 3.46Å
15F77.3Confident75.4Confident5 Ų558 Ų582%0.02229%0.288CS..SBendtrans-78.1115.9175.1-63.6-82.3000109.1I9 G11 I12 Q22 T43 I44I9-F15 HydrophobicContact CB-CD1 4.24Å; I9-F15 HydrophobicContact CB-CD2 4.46Å; I9-F15 HydrophobicContact CB-CG 4.2Å; I9-F15 HydrophobicContact CD1-CE1 4.28Å; I9-F15 HydrophobicContact CD1-CE2 4.05Å; I9-F15 HydrophobicContact CD1-CZ 3.95Å; I9-F15 HydrophobicContact CG2-CB 3.9Å; I9-F15 HydrophobicContact CG2-CD1 4.17Å; I9-F15 HydrophobicContact CG2-CD2 3.63Å; I9-F15 HydrophobicContact CG2-CE2 4.2Å; I9-F15 HydrophobicContact CG2-CG 3.63Å; G11-F15 PolarHBondContact N-O 3.03Å; I12-F15 PolarHBondContact N-O 3.38Å; I12-F15 WeakPolarHBondContact O-CB 3.4Å; I12-F15 WeakPolarHBondContact O-CD2 3.32Å; I12-F15 PolarHBondContact O-N 3.08Å; F15-Q22 HydrophobicContact CD1-CB 3.9Å; F15-Q22 HydrophobicContact CD1-CG 3.92Å; F15-Q22 HydrophobicContact CE1-CB 4.03Å; F15-Q22 HydrophobicContact CE1-CG 4.24Å; F15-T43 HydrophobicContact CD2-CG2 3.84Å; F15-T43 HydrophobicContact CE2-CG2 3.65Å; F15-I44 HydrophobicContact CE2-CG1 4.13Å; F15-I44 HydrophobicContact CZ-CD1 4.14Å; F15-I44 HydrophobicContact CZ-CG1 3.58Å
16S67.7Low75.7Confident46 Ų4658.6 Ų58.632%0.32229%0.289SS..  trans-63154.6-179.5-164.60000111.6G11 S14 D18G11-S16 PolarHBondContact N-O 3.09Å; S14-S16 PolarHBondContact O-N 3.46Å; S16-D18 PolarHBondContact OG-N 2.87Å
17S63.9Low75.6Confident17 Ų1765.1 Ų65.112%0.11932%0.319CS..SBendtrans-84-13.3169.640.90000113Y72S17-Y72 WeakPolarHBondContact OG-CD1 3.27Å; S17-Y72 WeakPolarHBondContact OG-CD2 3.47Å; S17-Y72 WeakPolarHBondContact OG-CE1 3.36Å; S17-Y72 WeakPolarHBondContact OG-CE2 3.07Å; S17-Y72 VanDerWaalsContact OG-CG 3.23Å
18D59.1Low75.3Confident102 Ų10272 Ų7255%0.54535%0.349SS..SBendtrans-67160.8179.4-64.3-27.3000111.9S16 K20S16-D18 PolarHBondContact OG-N 2.87Å; D18-K20 CarbonylContact O-C 3.58Å; D18-K20 PolarHBondContact O-N 3.32Å
19D58.3Low75.2Confident152 Ų15278.2 Ų78.281%0.81339%0.39SS*.SBendtrans-44.3-15.5-170.2-100.1-22.1000117.4R10 A21R10-D19 VanDerWaalsContact NH2-C 3.35Å; R10-D19 PolarHBondContact NH2-O 2.88Å; D19-A21 PolarHBondContact O-N 2.92Å; D19-A21 VanDerWaalsContact O-N 3.15Å
20K61.5Low75.1Confident190 Ų19084 Ų8483%0.82642%0.42SS*.  trans-87.676.2174.7-62.9-177.5-177.9178.50111.5D18 Q22D18-K20 CarbonylContact O-C 3.58Å; D18-K20 PolarHBondContact O-N 3.32Å; K20-Q22 PolarHBondContact O-N 3.48Å
21A68.1Low75.2Confident28 Ų2882.5 Ų82.523%0.23142%0.419CS..  trans-53.2134.2165.100000110.3L8 R10 D19L8-A21 HydrophobicContact CD1-CB 3.41Å; L8-A21 VanDerWaalsContact CD1-CB 3.41Å; L8-A21 HydrophobicContact CD2-CB 3.97Å; L8-A21 HydrophobicContact CG-CB 3.58Å; R10-A21 HydrophobicContact CG-CB 3.77Å; D19-A21 PolarHBondContact O-N 2.92Å; D19-A21 VanDerWaalsContact O-N 3.15Å
22Q79Confident75.7Confident108 Ų10888.3 Ų88.351%0.50545%0.449SS..EExtended strand (participates in β ladder)trans-88.9115171.4-67-156.716.600109.5L8 I9 F15 K20L8-Q22 WeakPolarHBondContact CA-O 3.33Å; I9-Q22 PolarHBondContact N-O 3.35Å; I9-Q22 PolarHBondContact O-N 3.32Å; F15-Q22 HydrophobicContact CD1-CB 3.9Å; F15-Q22 HydrophobicContact CD1-CG 3.92Å; F15-Q22 HydrophobicContact CE1-CB 4.03Å; F15-Q22 HydrophobicContact CE1-CG 4.24Å; K20-Q22 PolarHBondContact O-N 3.48Å
23V80.3Confident75.9Confident73 Ų7391.1 Ų91.144%0.44246%0.464SS..EExtended strand (participates in β ladder)trans-99.1122.1177.3-1780000109.3M7 L8 Y85M7-V23 WeakPolarHBondContact O-CA 3.39Å; L8-V23 HydrophobicContact CB-CG2 4.47Å; L8-V23 HydrophobicContact CD1-CG2 4.06Å; L8-V23 HydrophobicContact CG-CG2 4.41Å; V23-Y85 HydrophobicContact CG1-CD2 4.16Å; V23-Y85 HydrophobicContact CG1-CE2 3.84Å; V23-Y85 HydrophobicContact CG2-CE2 4.15Å
24I83.6Confident76.2Confident27 Ų2792.3 Ų92.314%0.13848%0.481CS..EExtended strand (participates in β ladder)trans-105.2120.5175.6-59176.5000107.1G6 M7 I9 F26 I44G6-I24 CarbonylContact C-O 3.57Å; G6-I24 WeakPolarHBondContact CA-O 3.33Å; M7-I24 HydrophobicContact CE-CD1 4.22Å; M7-I24 PolarHBondContact N-O 2.71Å; M7-I24 PolarHBondContact O-N 3.15Å; I9-I24 HydrophobicContact CD1-CD1 3.77Å; I24-F26 HydrophobicContact CG2-CE1 4.34Å; I24-I44 HydrophobicContact CD1-CB 4.14Å; I24-I44 HydrophobicContact CD1-CD1 3.54Å; I24-I44 HydrophobicContact CD1-CG1 3.56Å; I24-I44 HydrophobicContact CD1-CG2 3.44Å; I24-I44 VanDerWaalsContact CD1-CG2 3.44Å
25R83.5Confident76.7Confident195 Ų19590.7 Ų90.774%0.73648%0.475SS*.EExtended strand (participates in β ladder)trans-93.7128.6172.6-68.3-177.7179.5-112.61.9109.7V5V5-R25 CarbonylContact O-C 3.56Å; V5-R25 VanDerWaalsContact O-CA 3.28Å; V5-R25 WeakPolarHBondContact O-CA 3.4Å
26F85.2Confident77.1Confident41 Ų4195.3 Ų95.318%0.1851%0.505CS..PPolyproline II helixtrans-82.7128.9177.1-60.5-68.1000110.2L4 V5 M7 I24 T31 L48L4-F26 HydrophobicContact CD1-CE2 4.29Å; L4-F26 HydrophobicContact CD2-CD2 3.86Å; L4-F26 HydrophobicContact CD2-CE2 3.48Å; L4-F26 VanDerWaalsContact CD2-CE2 3.48Å; L4-F26 HydrophobicContact CD2-CZ 4.19Å; L4-F26 HydrophobicContact CG-CD2 3.71Å; L4-F26 HydrophobicContact CG-CE2 3.66Å; V5-F26 PolarHBondContact O-N 3.09Å; M7-F26 HydrophobicContact CB-CE2 3.8Å; M7-F26 HydrophobicContact CB-CZ 3.85Å; M7-F26 HydrophobicContact CE-CZ 4.27Å; I24-F26 HydrophobicContact CG2-CE1 4.34Å; F26-T31 WeakPolarHBondContact CA-OG1 3.33Å; F26-T31 HydrophobicContact CD1-CG2 4.12Å; F26-L48 HydrophobicContact CE1-CD1 3.66Å; F26-L48 HydrophobicContact CZ-CD1 3.48Å; F26-L48 VanDerWaalsContact CZ-CD1 3.48Å
27Q80.1Confident78Confident138 Ų138100.8 Ų100.865%0.64553%0.531SS*.PPolyproline II helixtrans-95.5149.7174.6-64.5180-17.300110.9L30 T31Q27-L30 CarbonylContact O-C 3.53Å; Q27-L30 VanDerWaalsContact O-C 3.25Å; Q27-T31 PolarHBondContact N-OG1 3.37Å; Q27-T31 PolarHBondContact O-N 3.37Å; Q27-T31 PolarHBondContact O-OG1 3.18Å
28K77.7Confident78.8Confident145 Ų145103.7 Ų103.763%0.6356%0.563SS**SBendtrans-107.2146.1178.3-65.1-176.8-172.4174.30111.8E3 L30E3-K28 IonicContact OE1-NZ 2.6Å; E3-K28 PolarHBondContact OE1-NZ 3.04Å; E3-K28 IonicContact OE2-NZ 3.4Å; E3-K28 PolarHBondContact OE2-NZ 3.36Å; K28-L30 VanDerWaalsContact C-N 3.26Å
29P80.1Confident79.8Confident141 Ų141101.5 Ų101.592%0.91656%0.556SS**SBendcis-78.4-6.1-7.933.5-35.9000113.1
30L80.8Confident81Confident122 Ų12294.6 Ų94.664%0.63952%0.521SS*.  trans-134.6129.9-172.7179.466.8000110Q27 K28Q27-L30 CarbonylContact O-C 3.53Å; Q27-L30 VanDerWaalsContact O-C 3.25Å; K28-L30 VanDerWaalsContact C-N 3.26Å
31T82.2Confident82.3Confident42 Ų4288 Ų8826%0.25849%0.492SS..  trans-101.4116.9169.1-54.30000109.6F26 Q27 I33F26-T31 WeakPolarHBondContact CA-OG1 3.33Å; F26-T31 HydrophobicContact CD1-CG2 4.12Å; Q27-T31 PolarHBondContact N-OG1 3.37Å; Q27-T31 PolarHBondContact O-N 3.37Å; Q27-T31 PolarHBondContact O-OG1 3.18Å; T31-I33 HydrophobicContact CG2-CG1 4.48Å
32L86.4Confident83.1Confident121 Ų12191 Ų9163%0.63451%0.508SS*.  trans-95.4109.8178.7-156.284.9000110.3V34L32-V34 HydrophobicContact CD2-CG1 3.37Å; L32-V34 HydrophobicContact CG-CG1 3.78Å; L32-V34 PolarHBondContact O-N 2.89Å
33I84.3Confident83.5Confident60 Ų6086.3 Ų86.331%0.30849%0.487SS..  trans-91.195.2175.6-56.2169.4000108.5T31 K41 I44T31-I33 HydrophobicContact CG2-CG1 4.48Å; I33-K41 HydrophobicContact CG2-CB 4.29Å; I33-K41 HydrophobicContact CG2-CG 4.09Å; I33-I44 HydrophobicContact CD1-CB 4.33Å; I33-I44 HydrophobicContact CD1-CG2 3.64Å; I33-I44 HydrophobicContact CG2-CD1 3.8Å
34V86.4Confident83.8Confident116 Ų11683.5 Ų83.570%0.70347%0.469SS*.  trans-103.6147.1178.6-66.20000111.7L32L32-V34 HydrophobicContact CD2-CG1 3.37Å; L32-V34 HydrophobicContact CG-CG1 3.78Å; L32-V34 PolarHBondContact O-N 2.89Å
35G85.3Confident83.9Confident35 Ų3586.6 Ų86.636%0.36149%0.485SS..  trans169.1164.9178.700000111.6K41G35-K41 PolarHBondContact O-NZ 3.03Å
36P86.6Confident84Confident102 Ų10278.4 Ų78.466%0.66246%0.455SS*.  trans-64160177.725.3-32.3000112.3G38 S39 K41P36-G38 PolarHBondContact O-N 3.48Å; P36-S39 WeakPolarHBondContact O-CB 3.32Å; P36-S39 PolarHBondContact O-N 3.39Å; P36-S39 VanDerWaalsContact O-N 3.09Å; P36-S39 PolarHBondContact O-OG 3.06Å; P36-K41 VanDerWaalsContact C-NZ 3.29Å; P36-K41 PolarHBondContact O-NZ 3.28Å
37N86.2Confident83.9Confident162 Ų16276.5 Ų76.587%0.86645%0.447SS*.THydrogen-bonded Turntrans-59.6133.2174.3-75.2-14.3000110.2
38G80Confident84Confident77 Ų7772.3 Ų72.379%0.79443%0.429SS*.THydrogen-bonded Turntrans90.5-6.3-172.200000115.7P36 G40P36-G38 PolarHBondContact O-N 3.48Å; G38-G40 PolarHBondContact O-N 2.97Å
39S81Confident84.2Confident57 Ų5771 Ų7140%0.39942%0.423SS..SBendtrans-71.86.5-179.574.90000115.6P36 K41P36-S39 WeakPolarHBondContact O-CB 3.32Å; P36-S39 PolarHBondContact O-N 3.39Å; P36-S39 VanDerWaalsContact O-N 3.09Å; P36-S39 PolarHBondContact O-OG 3.06Å; S39-K41 WeakPolarHBondContact OG-CG 3.4Å
40G83.5Confident84.2Confident7 Ų767.9 Ų67.97%0.07239%0.393CS..SBendtrans86.29.2-179.200000116.2G38 T42 T43 I44G38-G40 PolarHBondContact O-N 2.97Å; G40-T42 PolarHBondContact O-N 3.44Å; G40-T43 CarbonylContact O-C 3.53Å; G40-T43 WeakPolarHBondContact O-CA 3.26Å; G40-T43 VanDerWaalsContact O-CB 3.29Å; G40-T43 WeakPolarHBondContact O-CB 3.49Å; G40-T43 PolarHBondContact O-N 3.13Å; G40-I44 WeakPolarHBondContact O-CG1 3.43Å; G40-I44 PolarHBondContact O-N 2.9Å
41K87Confident83.8Confident50 Ų5064 Ų6422%0.21738%0.378CS..Hα-helixtrans-51.6-49.6179.1-57.1-174.8-68.2-77.40113.4I33 G35 P36 S39 T43 I44 I45I33-K41 HydrophobicContact CG2-CB 4.29Å; I33-K41 HydrophobicContact CG2-CG 4.09Å; G35-K41 PolarHBondContact O-NZ 3.03Å; P36-K41 VanDerWaalsContact C-NZ 3.29Å; P36-K41 PolarHBondContact O-NZ 3.28Å; S39-K41 WeakPolarHBondContact OG-CG 3.4Å; K41-T43 VanDerWaalsContact C-N 3.34Å; K41-I44 WeakPolarHBondContact O-CB 3.45Å; K41-I44 PolarHBondContact O-N 2.67Å; K41-I45 PolarHBondContact O-N 3.46Å
42T86.8Confident83.3Confident91 Ų9165.9 Ų65.956%0.55839%0.39SS*.Hα-helixtrans-65.3-40.5177.2-48.50000111.1G40 I44 I45 E46G40-T42 PolarHBondContact O-N 3.44Å; T42-I44 VanDerWaalsContact C-N 3.27Å; T42-I44 PolarHBondContact O-N 3.48Å; T42-I45 PolarHBondContact O-N 2.86Å; T42-I45 VanDerWaalsContact O-N 3.12Å; T42-E46 HydrophobicContact CG2-CG 4.42Å; T42-E46 VanDerWaalsContact O-CG 3.31Å; T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 2.72Å
43T86.4Confident83Confident11 Ų1166.2 Ų66.27%0.06739%0.391CS..Hα-helixtrans-58.8-39175.9-48.80000111.3I12 R13 F15 G40 K41 I45 E46 C47I12-T43 HydrophobicContact CG2-CG2 3.82Å; R13-T43 HydrophobicContact CB-CG2 4Å; R13-T43 HydrophobicContact CG-CG2 4.3Å; F15-T43 HydrophobicContact CD2-CG2 3.84Å; F15-T43 HydrophobicContact CE2-CG2 3.65Å; G40-T43 CarbonylContact O-C 3.53Å; G40-T43 WeakPolarHBondContact O-CA 3.26Å; G40-T43 VanDerWaalsContact O-CB 3.29Å; G40-T43 WeakPolarHBondContact O-CB 3.49Å; G40-T43 PolarHBondContact O-N 3.13Å; K41-T43 VanDerWaalsContact C-N 3.34Å; T43-I45 PolarHBondContact O-N 3.37Å; T43-E46 PolarHBondContact O-N 3.38Å; T43-C47 PolarHBondContact O-N 3.15Å; T43-C47 PolarHBondContact O-SG 2.96Å
44I86.4Confident82.5Confident14 Ų1465.9 Ų65.97%0.07240%0.402CS..Hα-helixtrans-60.4-46.1175.4-64.4163.7000111M7 I9 F15 I24 I33 G40 K41 T42 E46 C47 L48M7-I44 HydrophobicContact CE-CG2 3.78Å; I9-I44 HydrophobicContact CD1-CB 4.34Å; I9-I44 HydrophobicContact CD1-CG1 3.92Å; I9-I44 HydrophobicContact CD1-CG2 4.33Å; F15-I44 HydrophobicContact CE2-CG1 4.13Å; F15-I44 HydrophobicContact CZ-CD1 4.14Å; F15-I44 HydrophobicContact CZ-CG1 3.58Å; I24-I44 HydrophobicContact CD1-CB 4.14Å; I24-I44 HydrophobicContact CD1-CD1 3.54Å; I24-I44 HydrophobicContact CD1-CG1 3.56Å; I24-I44 HydrophobicContact CD1-CG2 3.44Å; I24-I44 VanDerWaalsContact CD1-CG2 3.44Å; I33-I44 HydrophobicContact CD1-CB 4.33Å; I33-I44 HydrophobicContact CD1-CG2 3.64Å; I33-I44 HydrophobicContact CG2-CD1 3.8Å; G40-I44 WeakPolarHBondContact O-CG1 3.43Å; G40-I44 PolarHBondContact O-N 2.9Å; K41-I44 WeakPolarHBondContact O-CB 3.45Å; K41-I44 PolarHBondContact O-N 2.67Å; T42-I44 VanDerWaalsContact C-N 3.27Å; T42-I44 PolarHBondContact O-N 3.48Å; I44-E46 VanDerWaalsContact C-N 3.32Å; I44-E46 PolarHBondContact O-N 3.08Å; I44-C47 PolarHBondContact O-N 3.01Å; I44-L48 PolarHBondContact O-N 3.46Å
45I85.4Confident82.2Confident91 Ų9162.1 Ų62.147%0.46738%0.383SS..Hα-helixtrans-63.7-39.7177.6-62.5172.9000110.8K41 T42 T43 L48 K49K41-I45 PolarHBondContact O-N 3.46Å; T42-I45 PolarHBondContact O-N 2.86Å; T42-I45 VanDerWaalsContact O-N 3.12Å; T43-I45 PolarHBondContact O-N 3.37Å; I45-L48 WeakPolarHBondContact O-CB 3.48Å; I45-L48 PolarHBondContact O-N 2.91Å; I45-K49 WeakPolarHBondContact O-CG 3.45Å; I45-K49 PolarHBondContact O-N 3.43Å
46E86.6Confident81.9Confident24 Ų2465.9 Ų65.911%0.11239%0.393CS..Hα-helixtrans-66.6-41.4176.2-66.7169.6166.200112.1R13 T42 T43 I44 L48 K49 Y50 P57 F65R13-E46 IonicContact CZ-OE1 3.69Å; R13-E46 IonicContact CZ-OE2 2.9Å; R13-E46 IonicContact NE-OE2 3.76Å; R13-E46 VanDerWaalsContact NH1-CD 3.29Å; R13-E46 IonicContact NH1-OE1 2.83Å; R13-E46 PolarHBondContact NH1-OE1 2.96Å; R13-E46 VanDerWaalsContact NH1-OE1 3.08Å; R13-E46 IonicContact NH1-OE2 2.83Å; R13-E46 PolarHBondContact NH1-OE2 3.15Å; R13-E46 IonicContact NH2-OE1 3.34Å; R13-E46 PolarHBondContact NH2-OE1 2.88Å; R13-E46 IonicContact NH2-OE2 3.72Å; R13-E46 PolarHBondContact NH2-OE2 3.48Å; T42-E46 HydrophobicContact CG2-CG 4.42Å; T42-E46 VanDerWaalsContact O-CG 3.31Å; T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 2.72Å; T43-E46 PolarHBondContact O-N 3.38Å; I44-E46 VanDerWaalsContact C-N 3.32Å; I44-E46 PolarHBondContact O-N 3.08Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 2.93Å; E46-K49 PolarHBondContact O-N 3.49Å; E46-Y50 WeakPolarHBondContact O-CB 3.27Å; E46-Y50 PolarHBondContact O-N 3.42Å; E46-P57 HydrophobicContact CB-CB 4.34Å; E46-P57 HydrophobicContact CB-CG 4.38Å; E46-P57 VanDerWaalsContact CD-CB 3.45Å; E46-P57 HydrophobicContact CG-CB 3.83Å; E46-P57 HydrophobicContact CG-CG 4.35Å; E46-P57 WeakPolarHBondContact OE1-CB 3.45Å; E46-F65 HydrophobicContact CB-CE2 3.86Å; E46-F65 HydrophobicContact CB-CZ 3.99Å
47C83.4Confident81.6Confident0 Ų061.5 Ų61.50%037%0.365CS..Hα-helixtrans-57.9-42.9172.9-66.10000111M7 I9 I12 T43 I44 Y50 A51 V82M7-C47 HydrophobicContact CE-CB 4.39Å; M7-C47 HydrophobicContact SD-CB 4.25Å; I9-C47 HydrophobicContact CD1-CB 4.06Å; I9-C47 HydrophobicContact CG1-CB 4.32Å; I12-C47 HydrophobicContact CD1-CB 4.36Å; I12-C47 WeakPolarHBondContact CD1-SG 3.49Å; T43-C47 PolarHBondContact O-N 3.15Å; T43-C47 PolarHBondContact O-SG 2.96Å; I44-C47 PolarHBondContact O-N 3.01Å; C47-Y50 PolarHBondContact O-N 3.35Å; C47-A51 WeakPolarHBondContact O-CB 3.47Å; C47-A51 PolarHBondContact O-N 3.49Å; C47-V82 HydrophobicContact CB-CG2 4.36Å
48L82Confident81.2Confident51 Ų5159.7 Ų59.727%0.26736%0.362SS..Hα-helixtrans-62.7-47.1179-144.5148000110.6M7 F26 I44 I45 E46 Y50 A51 T52M7-L48 HydrophobicContact CE-CD1 4.29Å; M7-L48 HydrophobicContact SD-CB 4.38Å; M7-L48 HydrophobicContact SD-CG 4.35Å; F26-L48 HydrophobicContact CE1-CD1 3.66Å; F26-L48 HydrophobicContact CZ-CD1 3.48Å; F26-L48 VanDerWaalsContact CZ-CD1 3.48Å; I44-L48 PolarHBondContact O-N 3.46Å; I45-L48 WeakPolarHBondContact O-CB 3.48Å; I45-L48 PolarHBondContact O-N 2.91Å; E46-L48 VanDerWaalsContact C-N 3.27Å; E46-L48 PolarHBondContact O-N 2.93Å; L48-Y50 PolarHBondContact O-N 3.33Å; L48-A51 PolarHBondContact O-N 2.97Å; L48-T52 HydrophobicContact CD2-CG2 4.14Å; L48-T52 WeakPolarHBondContact O-CG2 3.34Å; L48-T52 PolarHBondContact O-N 3.45Å; L48-T52 PolarHBondContact O-OG1 3.21Å
49K81.3Confident81Confident116 Ų11659.7 Ų59.750%0.50436%0.361SS..Hα-helixtrans-62.3-42174.2-71.9-179.5-179.9-176.60112.8I45 E46 I53 G54 A55I45-K49 WeakPolarHBondContact O-CG 3.45Å; I45-K49 PolarHBondContact O-N 3.43Å; E46-K49 PolarHBondContact O-N 3.49Å; K49-I53 WeakPolarHBondContact O-CG1 3.39Å; K49-I53 PolarHBondContact O-N 2.91Å; K49-G54 PolarHBondContact O-N 3.34Å; K49-A55 HydrophobicContact CB-CB 4.42Å; K49-A55 PolarHBondContact O-N 2.83Å
50Y79.2Confident80.4Confident77 Ų7757.2 Ų57.230%0.30234%0.344SS..Hα-helixtrans-61.8-45.8179.1178.8-107.1000111E46 C47 L48 G54 A55 M56 F65E46-Y50 WeakPolarHBondContact O-CB 3.27Å; E46-Y50 PolarHBondContact O-N 3.42Å; C47-Y50 PolarHBondContact O-N 3.35Å; L48-Y50 PolarHBondContact O-N 3.33Å; Y50-G54 WeakPolarHBondContact O-CA 3.04Å; Y50-G54 PolarHBondContact O-N 3.41Å; Y50-A55 WeakPolarHBondContact CA-O 3.23Å; Y50-M56 HydrophobicContact CD2-CG 4.35Å; Y50-M56 HydrophobicContact CE2-CE 4.39Å; Y50-M56 HydrophobicContact CE2-CG 4.32Å; Y50-F65 HydrophobicContact CD1-CE1 4.2Å; Y50-F65 HydrophobicContact CD2-CE1 4.08Å; Y50-F65 AromaticContact CG-CE1 3.77Å; Y50-F65 HydrophobicContact CG-CE1 3.77Å
51A74Confident79.6Confident39 Ų3967.1 Ų67.132%0.32239%0.385SS..Hα-helixtrans-80.8-26.4-176.100000113.9C47 L48 V82 F84C47-A51 WeakPolarHBondContact O-CB 3.47Å; C47-A51 PolarHBondContact O-N 3.49Å; L48-A51 PolarHBondContact O-N 2.97Å; A51-V82 HydrophobicContact CB-CB 4.08Å; A51-V82 HydrophobicContact CB-CG1 3.71Å; A51-F84 HydrophobicContact CB-CD2 4.34Å; A51-F84 HydrophobicContact CB-CE1 4.36Å; A51-F84 HydrophobicContact CB-CE2 3.26Å; A51-F84 HydrophobicContact CB-CZ 3.29Å
52T72Confident78.4Confident83 Ų8368.3 Ų68.351%0.50941%0.412SS..Hα-helixtrans-87.6-36.5177.560.60000114.7L48 F84L48-T52 HydrophobicContact CD2-CG2 4.14Å; L48-T52 WeakPolarHBondContact O-CG2 3.34Å; L48-T52 PolarHBondContact O-N 3.45Å; L48-T52 PolarHBondContact O-OG1 3.21Å; T52-F84 HydrophobicContact CG2-CE2 4.26Å; T52-F84 HydrophobicContact CG2-CZ 3.86Å
53I78.5Confident77.4Confident128 Ų12866.7 Ų66.766%0.65641%0.413SS*.Hα-helixtrans-128.43.2-173.859.6166.4000113.6K49 A55K49-I53 WeakPolarHBondContact O-CG1 3.39Å; K49-I53 PolarHBondContact O-N 2.91Å; I53-A55 HydrophobicContact CD1-CB 3.68Å; I53-A55 HydrophobicContact CG1-CB 3.74Å; I53-A55 PolarHBondContact O-N 2.88Å
54G75.3Confident76.7Confident52 Ų5270 Ų7054%0.53644%0.442SS..  trans72.212.1-178.300000114.5K49 Y50 M56K49-G54 PolarHBondContact O-N 3.34Å; Y50-G54 WeakPolarHBondContact O-CA 3.04Å; Y50-G54 PolarHBondContact O-N 3.41Å; G54-M56 PolarHBondContact O-N 3.44Å
55A78.7Confident76.2Confident37 Ų3769.6 Ų69.631%0.30644%0.44SS..PPolyproline II helixtrans-80.7119.3-173.600000111.9K49 Y50 I53K49-A55 HydrophobicContact CB-CB 4.42Å; K49-A55 PolarHBondContact O-N 2.83Å; Y50-A55 WeakPolarHBondContact CA-O 3.23Å; I53-A55 HydrophobicContact CD1-CB 3.68Å; I53-A55 HydrophobicContact CG1-CB 3.74Å; I53-A55 PolarHBondContact O-N 2.88Å
56M79.5Confident75.7Confident115 Ų11566.9 Ų66.957%0.56743%0.427SS*.PPolyproline II helixtrans-78.4145.1171.8-71.9-169.7174.300111.6Y50 G54 A60Y50-M56 HydrophobicContact CD2-CG 4.35Å; Y50-M56 HydrophobicContact CE2-CE 4.39Å; Y50-M56 HydrophobicContact CE2-CG 4.32Å; G54-M56 PolarHBondContact O-N 3.44Å; M56-A60 HydrophobicContact CB-CB 4.29Å
57P80.2Confident74.9Confident10 Ų1069.7 Ų69.77%0.06544%0.437CS..PPolyproline II helixtrans-67.4154.3176.921.4-25.9000112.8E46 G59 A60 F65E46-P57 HydrophobicContact CB-CB 4.34Å; E46-P57 HydrophobicContact CB-CG 4.38Å; E46-P57 VanDerWaalsContact CD-CB 3.45Å; E46-P57 HydrophobicContact CG-CB 3.83Å; E46-P57 HydrophobicContact CG-CG 4.35Å; E46-P57 WeakPolarHBondContact OE1-CB 3.45Å; P57-G59 PolarHBondContact O-N 3.22Å; P57-A60 HydrophobicContact CG-CB 3.93Å; P57-A60 VanDerWaalsContact O-CB 3.27Å; P57-A60 WeakPolarHBondContact O-CB 3.3Å; P57-A60 PolarHBondContact O-N 2.8Å; P57-F65 HydrophobicContact CG-CB 4.26Å; P57-F65 HydrophobicContact CG-CD1 4.24Å; P57-F65 HydrophobicContact CG-CD2 3.28Å; P57-F65 HydrophobicContact CG-CE1 4.44Å; P57-F65 HydrophobicContact CG-CE2 3.52Å; P57-F65 HydrophobicContact CG-CG 3.68Å; P57-F65 HydrophobicContact CG-CZ 4.11Å
58P78.8Confident74.1Confident124 Ų12474 Ų7481%0.80546%0.46SS*.THydrogen-bonded Turntrans-57128176.722.3-30.7000110.3
59G74.5Confident73.1Confident76 Ų7673.2 Ų73.278%0.78446%0.458SS*.THydrogen-bonded Turntrans93.3-6.9-176.700000115.8P57 K61P57-G59 PolarHBondContact O-N 3.22Å; G59-K61 VanDerWaalsContact C-N 3.31Å; G59-K61 PolarHBondContact O-N 2.85Å
60A69.4Low72.3Confident5 Ų576.8 Ų76.84%0.04147%0.474CS..G310 helixtrans-81.62.1-178.600000115.7M56 P57 G62 G63 F65M56-A60 HydrophobicContact CB-CB 4.29Å; P57-A60 HydrophobicContact CG-CB 3.93Å; P57-A60 VanDerWaalsContact O-CB 3.27Å; P57-A60 WeakPolarHBondContact O-CB 3.3Å; P57-A60 PolarHBondContact O-N 2.8Å; A60-G62 PolarHBondContact O-N 2.64Å; A60-G63 PolarHBondContact O-N 2.87Å; A60-G63 VanDerWaalsContact O-N 3.08Å; A60-F65 HydrophobicContact CB-CB 3.68Å; A60-F65 HydrophobicContact CB-CG 4.48Å
61K66.1Low71.6Confident215 Ų21578.1 Ų78.194%0.93549%0.49SS*.G310 helixtrans-58.5-8.8-176.3-75.2-173.1175.9-177.90115.1G59G59-K61 VanDerWaalsContact C-N 3.31Å; G59-K61 PolarHBondContact O-N 2.85Å
62G62.8Low70.6Confident76 Ų7680 Ų8078%0.78449%0.489SS*.G310 helixtrans-111.11917700000115.8A60A60-G62 PolarHBondContact O-N 2.64Å
63G65.8Low69.8Low56 Ų5680.9 Ų80.958%0.57750%0.504SS*.SBendtrans83.211176.100000115.5A60 F65 V66A60-G63 PolarHBondContact O-N 2.87Å; A60-G63 VanDerWaalsContact O-N 3.08Å; G63-F65 VanDerWaalsContact C-N 3.27Å; G63-F65 PolarHBondContact O-N 3.4Å; G63-V66 VanDerWaalsContact O-O 3.1Å
64A70.1Confident68.6Low82 Ų8284.3 Ų84.368%0.67852%0.515SS*.  trans-78.2-3.6-177.900000115.1
65F77.6Confident67.3Low4 Ų483.3 Ų83.32%0.01850%0.497CS..SBendtrans-90.5-49-176-179-119.9000112.6I12 R13 E46 Y50 P57 A60 G63I12-F65 HydrophobicContact CD1-CE1 4.45Å; I12-F65 HydrophobicContact CD1-CZ 4.47Å; I12-F65 HydrophobicContact CG2-CD2 3.91Å; I12-F65 HydrophobicContact CG2-CE1 4.26Å; I12-F65 HydrophobicContact CG2-CE2 3.49Å; I12-F65 VanDerWaalsContact CG2-CE2 3.49Å; I12-F65 HydrophobicContact CG2-CG 4.47Å; I12-F65 HydrophobicContact CG2-CZ 3.69Å; R13-F65 HydrophobicContact CG-CD2 4.24Å; R13-F65 PolarHBondContact N-O 2.86Å; E46-F65 HydrophobicContact CB-CE2 3.86Å; E46-F65 HydrophobicContact CB-CZ 3.99Å; Y50-F65 HydrophobicContact CD1-CE1 4.2Å; Y50-F65 HydrophobicContact CD2-CE1 4.08Å; Y50-F65 AromaticContact CG-CE1 3.77Å; Y50-F65 HydrophobicContact CG-CE1 3.77Å; P57-F65 HydrophobicContact CG-CB 4.26Å; P57-F65 HydrophobicContact CG-CD1 4.24Å; P57-F65 HydrophobicContact CG-CD2 3.28Å; P57-F65 HydrophobicContact CG-CE1 4.44Å; P57-F65 HydrophobicContact CG-CE2 3.52Å; P57-F65 HydrophobicContact CG-CG 3.68Å; P57-F65 HydrophobicContact CG-CZ 4.11Å; A60-F65 HydrophobicContact CB-CB 3.68Å; A60-F65 HydrophobicContact CB-CG 4.48Å; G63-F65 VanDerWaalsContact C-N 3.27Å; G63-F65 PolarHBondContact O-N 3.4Å
66V74.1Confident66Low34 Ų3487.3 Ų87.321%0.20652%0.523CS..BIsolated β-bridgetrans-98124.5177.7-177.40000107.3G63 M81G63-V66 VanDerWaalsContact O-O 3.1Å; V66-M81 HydrophobicContact CG1-CE 4.04Å; V66-M81 HydrophobicContact CG1-SD 3.32Å; V66-M81 WeakPolarHBondContact CG1-SD 3.25Å
67R69.4Low64.7Low83 Ų8384 Ų8431%0.31351%0.51SS..PPolyproline II helixtrans-65.6137.3176.1-69.7-173.5-170.2-167.94109.5G11 R13 P69 Y72G11-R67 PolarHBondContact O-N 3.43Å; R13-R67 PolarHBondContact O-NE 3.46Å; R13-R67 VanDerWaalsContact O-NE 3.16Å; R13-R67 PolarHBondContact O-NH2 3.16Å; R67-P69 WeakPolarHBondContact O-CD 3.49Å; R67-Y72 PolarHBondContact NH1-OH 2.9Å; R67-Y72 VanDerWaalsContact NH1-OH 3.15Å
68D67.1Low63.3Low90 Ų9087.5 Ų87.548%0.48153%0.533SS..PPolyproline II helixtrans-58.8120.9178.5-172.2-15.4000110.2K70 V71D68-K70 PolarHBondContact O-N 2.81Å; D68-K70 VanDerWaalsContact O-N 3.13Å; D68-K70 WeakPolarHBondContact OD1-CB 3.12Å; D68-K70 PolarHBondContact OD1-N 2.86Å; D68-V71 HydrophobicContact CB-CG2 4.18Å; D68-V71 PolarHBondContact O-N 3.39Å; D68-V71 VanDerWaalsContact O-N 3.12Å
69P60.9Low62Low35 Ų3588.7 Ų88.723%0.22753%0.532CS..G310 helixtrans-56.5-27.2178.8-23.932.4000113.4R67 V71 Y72 P78 M81R67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-V71 PolarHBondContact O-N 3.3Å; P69-V71 VanDerWaalsContact O-N 3.15Å; P69-Y72 CarbonylContact O-C 3.6Å; P69-Y72 PolarHBondContact O-N 2.77Å; P69-Y72 VanDerWaalsContact O-N 3.16Å; P69-P78 HydrophobicContact CG-CG 4.31Å; P69-M81 HydrophobicContact CG-CE 4.3Å
70K64.4Low61.1Low192 Ų19290.5 Ų90.584%0.83552%0.52SS*.G310 helixtrans-63.9-20179.6-67.4-177.4179.9179.20113.8D68D68-K70 PolarHBondContact O-N 2.81Å; D68-K70 VanDerWaalsContact O-N 3.13Å; D68-K70 WeakPolarHBondContact OD1-CB 3.12Å; D68-K70 PolarHBondContact OD1-N 2.86Å
71V63.4Low60.7Low105 Ų10590.5 Ų90.564%0.63652%0.519SS*.G310 helixtrans-80-20.6-179.8-176.20000111.8D68 P69D68-V71 HydrophobicContact CB-CG2 4.18Å; D68-V71 PolarHBondContact O-N 3.39Å; D68-V71 VanDerWaalsContact O-N 3.12Å; P69-V71 PolarHBondContact O-N 3.3Å; P69-V71 VanDerWaalsContact O-N 3.15Å
72Y54.6Low60.6Low79 Ų7981.2 Ų81.231%0.3148%0.481SS..SBendtrans-128.4107.9-179-68.6-88.5000109.7S17 R67 P69 F74 I75S17-Y72 WeakPolarHBondContact OG-CD1 3.27Å; S17-Y72 WeakPolarHBondContact OG-CD2 3.47Å; S17-Y72 WeakPolarHBondContact OG-CE1 3.36Å; S17-Y72 WeakPolarHBondContact OG-CE2 3.07Å; S17-Y72 VanDerWaalsContact OG-CG 3.23Å; R67-Y72 PolarHBondContact NH1-OH 2.9Å; R67-Y72 VanDerWaalsContact NH1-OH 3.15Å; P69-Y72 CarbonylContact O-C 3.6Å; P69-Y72 PolarHBondContact O-N 2.77Å; P69-Y72 VanDerWaalsContact O-N 3.16Å; Y72-F74 PolarHBondContact O-N 2.79Å; Y72-I75 PolarHBondContact O-N 3.23Å
73A54Low60.9Low101 Ų10181.1 Ų81.184%0.83546%0.462SS*.THydrogen-bonded Turntrans-62.111.5-171.200000116.7
74F53.1Low61.2Low200 Ų20080.9 Ų80.988%0.87745%0.445SS*.THydrogen-bonded Turntrans-1192.7-173.3-73.5-80000115.2Y72Y72-F74 PolarHBondContact O-N 2.79Å
75I49.1Very low61Low30 Ų3082.2 Ų82.215%0.15443%0.433CS..  trans-121.598.7176.9-55175.1000109Y72 C77 M81Y72-I75 PolarHBondContact O-N 3.23Å; I75-C77 VanDerWaalsContact C-N 3.33Å; I75-C77 VanDerWaalsContact CG2-O 3.29Å; I75-C77 WeakPolarHBondContact CG2-O 3.48Å; I75-M81 HydrophobicContact CD1-CE 4.16Å; I75-M81 HydrophobicContact CG2-CE 4.43Å
76S51.5Low60.2Low122 Ų12286.9 Ų86.985%0.85345%0.454SS*.  trans-79.3-13.1179.839.70000113.4
77C51Low59.2Low45 Ų4591.1 Ų91.130%0.30447%0.471SS..  trans-137.3126.2-178.7-157.50000112.4I75 L79 E80I75-C77 VanDerWaalsContact C-N 3.33Å; I75-C77 VanDerWaalsContact CG2-O 3.29Å; I75-C77 WeakPolarHBondContact CG2-O 3.48Å; C77-L79 PolarHBondContact O-N 3.37Å; C77-E80 PolarHBondContact O-N 2.76Å
78P52.4Low58.2Low83 Ų8392 Ų9254%0.53948%0.481SS..G310 helixtrans-60.3-15.9175-20.229.9000114.5P69 E80P69-P78 HydrophobicContact CG-CG 4.31Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 2.84Å
79L50.5Low57.6Low150 Ų15091.9 Ų91.979%0.78548%0.481SS*.G310 helixtrans-75.9-13.4-176-82.5141.2000114.2C77 M81C77-L79 PolarHBondContact O-N 3.37Å; L79-M81 PolarHBondContact O-N 3.28Å
80E54.8Low57.3Low113 Ų11392.7 Ų92.753%0.52850%0.495SS..G310 helixtrans-94.218.7-176-65.4-17916700114.2C77 P78C77-E80 PolarHBondContact O-N 2.76Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 2.84Å
81M63Low57Low6 Ų688.7 Ų88.73%0.0348%0.479CS..SBendtrans-88.6-24.7-174.1-69.8-149.9173.400114.7R10 V66 P69 I75 L79R10-M81 PolarHBondContact N-O 2.82Å; R10-M81 WeakPolarHBondContact O-CB 3.39Å; V66-M81 HydrophobicContact CG1-CE 4.04Å; V66-M81 HydrophobicContact CG1-SD 3.32Å; V66-M81 WeakPolarHBondContact CG1-SD 3.25Å; P69-M81 HydrophobicContact CG-CE 4.3Å; I75-M81 HydrophobicContact CD1-CE 4.16Å; I75-M81 HydrophobicContact CG2-CE 4.43Å; L79-M81 PolarHBondContact O-N 3.28Å
82V63.4Low56.8Low20 Ų2086.7 Ų86.712%0.12147%0.465CS..EExtended strand (participates in β ladder)trans-135.8106.7174.8-174.30000109M7 L8 I12 C47 A51M7-V82 HydrophobicContact CG-CG1 3.72Å; M7-V82 HydrophobicContact SD-CG1 3.77Å; L8-V82 VanDerWaalsContact O-CA 3.31Å; L8-V82 WeakPolarHBondContact O-CA 3.27Å; I12-V82 HydrophobicContact CD1-CG2 3.28Å; C47-V82 HydrophobicContact CB-CG2 4.36Å; A51-V82 HydrophobicContact CB-CB 4.08Å; A51-V82 HydrophobicContact CB-CG1 3.71Å
83D69.7Low57.2Low73 Ų7384.5 Ų84.539%0.3946%0.458SS..EExtended strand (participates in β ladder)trans-101138.9173.6-66.4-34.3000110.5M7 L8M7-D83 CarbonylContact C-O 3.54Å; M7-D83 WeakPolarHBondContact CA-O 3.28Å; L8-D83 HydrophobicContact CB-CB 4.09Å; L8-D83 HydrophobicContact CD2-CB 4.44Å; L8-D83 PolarHBondContact N-O 3.27Å; L8-D83 PolarHBondContact O-N 2.94Å; L8-D83 VanDerWaalsContact O-N 3.11Å
84F71.5Confident57.7Low52 Ų5283.1 Ų83.123%0.22844%0.436CS..EExtended strand (participates in β ladder)trans-101.5126.3173-70.2-57.1000110.5L4 M7 A51 T52 F86L4-F84 HydrophobicContact CD1-CB 3.64Å; L4-F84 HydrophobicContact CD1-CD1 3.45Å; L4-F84 VanDerWaalsContact CD1-CD1 3.45Å; L4-F84 HydrophobicContact CD1-CE1 4.25Å; L4-F84 HydrophobicContact CD1-CG 3.77Å; L4-F84 HydrophobicContact CD2-CD1 4.35Å; L4-F84 HydrophobicContact CD2-CE1 4.37Å; M7-F84 HydrophobicContact CB-CD1 3.97Å; M7-F84 HydrophobicContact CB-CE1 4.18Å; M7-F84 HydrophobicContact CG-CD1 3.87Å; M7-F84 HydrophobicContact CG-CE1 3.8Å; M7-F84 HydrophobicContact SD-CD1 4.35Å; M7-F84 HydrophobicContact SD-CE1 3.66Å; M7-F84 HydrophobicContact SD-CZ 4.46Å; A51-F84 HydrophobicContact CB-CD2 4.34Å; A51-F84 HydrophobicContact CB-CE1 4.36Å; A51-F84 HydrophobicContact CB-CE2 3.26Å; A51-F84 HydrophobicContact CB-CZ 3.29Å; T52-F84 HydrophobicContact CG2-CE2 4.26Å; T52-F84 HydrophobicContact CG2-CZ 3.86Å; F84-F86 HydrophobicContact CB-CD2 4.32Å; F84-F86 HydrophobicContact CB-CE2 3.63Å; F84-F86 HydrophobicContact CB-CZ 4.06Å
85Y65.3Low58.6Low109 Ų10974.2 Ų74.243%0.42740%0.398SS..EExtended strand (participates in β ladder)trans-89.7118.9169.3-63.4-73.7000109V5 G6 L8 V23V5-Y85 PolarHBondContact N-O 3.3Å; G6-Y85 PolarHBondContact N-O 3.37Å; G6-Y85 PolarHBondContact O-N 2.81Å; L8-Y85 HydrophobicContact CB-CE2 3.8Å; L8-Y85 HydrophobicContact CD1-CE2 4.3Å; L8-Y85 WeakPolarHBondContact CD1-OH 3.36Å; V23-Y85 HydrophobicContact CG1-CD2 4.16Å; V23-Y85 HydrophobicContact CG1-CE2 3.84Å; V23-Y85 HydrophobicContact CG2-CE2 4.15Å
86F60.2Low59.6Low103 Ų10378.9 Ų78.945%0.45242%0.419SS..EExtended strand (participates in β ladder)trans-99.2128.8169.4-63.9-89.2000109.3A2 E3 L4 F84 I88A2-F86 HydrophobicContact CB-CB 4.33Å; A2-F86 HydrophobicContact CB-CD1 3.9Å; A2-F86 HydrophobicContact CB-CG 4.28Å; E3-F86 CarbonylContact O-C 3.52Å; E3-F86 WeakPolarHBondContact O-CA 3.48Å; L4-F86 HydrophobicContact CB-CD1 4.35Å; L4-F86 HydrophobicContact CB-CE1 4.11Å; L4-F86 HydrophobicContact CD1-CE1 4.09Å; L4-F86 HydrophobicContact CD1-CZ 4.16Å; F84-F86 HydrophobicContact CB-CD2 4.32Å; F84-F86 HydrophobicContact CB-CE2 3.63Å; F84-F86 HydrophobicContact CB-CZ 4.06Å; F86-I88 HydrophobicContact CB-CG1 4.45Å
87E53.7Low60.4Low122 Ų12280 Ų8057%0.5742%0.415SS*.EExtended strand (participates in β ladder)trans-80.3122.2161.6-168.4166-161.900106.5E3 V5E3-E87 PolarHBondContact N-O 3.41Å; E3-E87 PolarHBondContact O-N 2.8Å; V5-E87 HydrophobicContact CB-CB 3.82Å; V5-E87 HydrophobicContact CG1-CB 4.28Å; V5-E87 HydrophobicContact CG2-CB 3.16Å; V5-E87 HydrophobicContact CG2-CG 4.33Å; V5-E87 WeakPolarHBondContact CG2-OE2 3.44Å
88I48.7Very low61.6Low101 Ų10182.5 Ų82.552%0.51843%0.425SS..EExtended strand (participates in β ladder)trans-101.3109.6-174.6-66.7172.5000106.2F86 G90 I93F86-I88 HydrophobicContact CB-CG1 4.45Å; I88-G90 VanDerWaalsContact C-N 3.31Å; I88-G90 PolarHBondContact O-N 2.78Å; I88-I93 HydrophobicContact CB-CD1 4.02Å; I88-I93 HydrophobicContact CD1-CD1 4.44Å; I88-I93 HydrophobicContact CG1-CD1 3.86Å; I88-I93 HydrophobicContact CG2-CB 3.93Å; I88-I93 HydrophobicContact CG2-CD1 3.37Å; I88-I93 HydrophobicContact CG2-CG1 4.11Å; I88-I93 HydrophobicContact CG2-CG2 4.26Å
89D54.3Low62.6Low89 Ų8981.7 Ų81.748%0.47643%0.431SS..  trans-65.195166.2-159.417.8000107.3E91 N92 I93D89-E91 VanDerWaalsContact C-N 3.28Å; D89-E91 PolarHBondContact O-N 2.82Å; D89-N92 HydrophobicContact CB-CB 4.06Å; D89-N92 PolarHBondContact O-N 2.78Å; D89-N92 PolarHBondContact OD2-ND2 3.5Å; D89-I93 PolarHBondContact O-N 2.76Å; D89-I93 VanDerWaalsContact O-N 3.08Å
90G55.2Low64Low51 Ų5176.6 Ų76.653%0.52641%0.406SS..Hα-helixtrans-56.3-39.4-163.300000113.5I88 M94I88-G90 VanDerWaalsContact C-N 3.31Å; I88-G90 PolarHBondContact O-N 2.78Å; G90-M94 WeakPolarHBondContact O-CB 3.32Å; G90-M94 PolarHBondContact O-N 3.35Å; G90-M94 VanDerWaalsContact O-N 3.11Å
91E57.3Low65.3Low108 Ų10873.5 Ų73.551%0.50540%0.396SS..Hα-helixtrans-66.2-41.5177.2-67.7176.2-17600112.1D89 M94 C95 K102D89-E91 VanDerWaalsContact C-N 3.28Å; D89-E91 PolarHBondContact O-N 2.82Å; E91-M94 PolarHBondContact O-N 3.32Å; E91-C95 PolarHBondContact O-N 2.88Å; E91-C95 PolarHBondContact O-SG 3.27Å; E91-K102 WeakPolarHBondContact OE2-CE 3.49Å; E91-K102 IonicContact OE2-NZ 2.67Å; E91-K102 PolarHBondContact OE2-NZ 3.4Å
92N60.7Low66.1Low64 Ų6477.8 Ų77.834%0.34242%0.415SS..Hα-helixtrans-78.1-32.9-170.3-141.4-5.8000111.8D89 Q96D89-N92 HydrophobicContact CB-CB 4.06Å; D89-N92 PolarHBondContact O-N 2.78Å; D89-N92 PolarHBondContact OD2-ND2 3.5Å; N92-Q96 PolarHBondContact O-N 3.05Å; N92-Q96 VanDerWaalsContact O-N 3.13Å
93I62.4Low67.1Low32 Ų3277.3 Ų77.316%0.16441%0.412CS..Hα-helixtrans-73.3-37.1168.9-84.8172.9000111.3A2 I88 D89 C95 Q96 L97A2-I93 HydrophobicContact CB-CD1 4.06Å; I88-I93 HydrophobicContact CB-CD1 4.02Å; I88-I93 HydrophobicContact CD1-CD1 4.44Å; I88-I93 HydrophobicContact CG1-CD1 3.86Å; I88-I93 HydrophobicContact CG2-CB 3.93Å; I88-I93 HydrophobicContact CG2-CD1 3.37Å; I88-I93 HydrophobicContact CG2-CG1 4.11Å; I88-I93 HydrophobicContact CG2-CG2 4.26Å; D89-I93 PolarHBondContact O-N 2.76Å; D89-I93 VanDerWaalsContact O-N 3.08Å; I93-C95 VanDerWaalsContact C-N 3.27Å; I93-C95 PolarHBondContact O-N 3.42Å; I93-Q96 CarbonylContact O-C 3.56Å; I93-Q96 PolarHBondContact O-N 3.35Å; I93-Q96 VanDerWaalsContact O-N 3.07Å; I93-L97 HydrophobicContact CG2-CD1 3.43Å; I93-L97 VanDerWaalsContact CG2-CD1 3.43Å; I93-L97 HydrophobicContact CG2-CG 3.84Å; I93-L97 WeakPolarHBondContact O-CB 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.5Å; I93-L97 PolarHBondContact O-N 2.77Å
94M63.4Low67.7Low73 Ų7375.3 Ų75.336%0.3640%0.403SS..Hα-helixtrans-58.2-44.4174.2-156.8-151.6-162.500110.5G90 E91 Q96 L97 L98 L105 F110G90-M94 WeakPolarHBondContact O-CB 3.32Å; G90-M94 PolarHBondContact O-N 3.35Å; G90-M94 VanDerWaalsContact O-N 3.11Å; E91-M94 PolarHBondContact O-N 3.32Å; M94-Q96 PolarHBondContact O-N 3.22Å; M94-L97 PolarHBondContact O-N 3.4Å; M94-L98 HydrophobicContact CE-CD1 3.92Å; M94-L98 HydrophobicContact CG-CD1 3.74Å; M94-L98 HydrophobicContact CG-CG 4.35Å; M94-L98 VanDerWaalsContact O-CB 3.23Å; M94-L98 WeakPolarHBondContact O-CB 3.29Å; M94-L98 WeakPolarHBondContact O-CG 3.41Å; M94-L98 PolarHBondContact O-N 3.08Å; M94-L98 HydrophobicContact SD-CD1 3.94Å; M94-L105 HydrophobicContact CB-CD1 4.23Å; M94-L105 HydrophobicContact CE-CD2 4.33Å; M94-L105 HydrophobicContact CG-CD1 4.32Å; M94-L105 HydrophobicContact SD-CD1 3.62Å; M94-L105 HydrophobicContact SD-CD2 3.64Å; M94-L105 HydrophobicContact SD-CG 4.3Å; M94-F110 HydrophobicContact CE-CE2 3.77Å; M94-F110 HydrophobicContact CE-CZ 3.88Å; M94-F110 HydrophobicContact SD-CE2 3.83Å; M94-F110 HydrophobicContact SD-CZ 4.5Å
95C72.9Confident68.2Low13 Ų1373.1 Ų73.19%0.08839%0.394CS..Hα-helixtrans-56.7-46.5171.4-63.60000112.6E91 I93 G99 V100 K102 L105E91-C95 PolarHBondContact O-N 2.88Å; E91-C95 PolarHBondContact O-SG 3.27Å; I93-C95 VanDerWaalsContact C-N 3.27Å; I93-C95 PolarHBondContact O-N 3.42Å; C95-G99 CarbonylContact O-C 3.53Å; C95-G99 VanDerWaalsContact O-CA 3.32Å; C95-G99 WeakPolarHBondContact O-CA 3.48Å; C95-G99 PolarHBondContact O-N 2.9Å; C95-V100 WeakPolarHBondContact CA-O 3.22Å; C95-V100 VanDerWaalsContact CB-O 3.29Å; C95-V100 WeakPolarHBondContact CB-O 3.12Å; C95-V100 PolarHBondContact O-N 3.3Å; C95-V100 VanDerWaalsContact O-N 3.09Å; C95-K102 WeakPolarHBondContact SG-CA 3.41Å; C95-L105 VanDerWaalsContact SG-CD1 3.55Å
96Q69.5Low69Low128 Ų12870.8 Ų70.860%0.59839%0.388SS*.Hα-helixtrans-68.1-41.1-179.9-90.9-177.1-59.700113.7N92 I93 M94 G99N92-Q96 PolarHBondContact O-N 3.05Å; N92-Q96 VanDerWaalsContact O-N 3.13Å; I93-Q96 CarbonylContact O-C 3.56Å; I93-Q96 PolarHBondContact O-N 3.35Å; I93-Q96 VanDerWaalsContact O-N 3.07Å; M94-Q96 PolarHBondContact O-N 3.22Å; Q96-G99 PolarHBondContact O-N 2.82Å
97L69.5Low70.1Confident146 Ų14668 Ų6876%0.76438%0.375SS*.Hα-helixtrans-71.7-42.4-179.5-74.2172.3000111.7I93 M94 G99I93-L97 HydrophobicContact CG2-CD1 3.43Å; I93-L97 VanDerWaalsContact CG2-CD1 3.43Å; I93-L97 HydrophobicContact CG2-CG 3.84Å; I93-L97 WeakPolarHBondContact O-CB 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.5Å; I93-L97 PolarHBondContact O-N 2.77Å; M94-L97 PolarHBondContact O-N 3.4Å; L97-G99 VanDerWaalsContact C-N 3.27Å
98L76.2Confident71.4Confident97 Ų9766.4 Ų66.451%0.50837%0.374SS..Hα-helixtrans-77.2-16.4176.1-67.6175.2000112.4M94 V100 L105M94-L98 HydrophobicContact CE-CD1 3.92Å; M94-L98 HydrophobicContact CG-CD1 3.74Å; M94-L98 HydrophobicContact CG-CG 4.35Å; M94-L98 VanDerWaalsContact O-CB 3.23Å; M94-L98 WeakPolarHBondContact O-CB 3.29Å; M94-L98 WeakPolarHBondContact O-CG 3.41Å; M94-L98 PolarHBondContact O-N 3.08Å; M94-L98 HydrophobicContact SD-CD1 3.94Å; L98-V100 HydrophobicContact CB-CG1 4.3Å; L98-V100 HydrophobicContact CB-CG2 3.75Å; L98-V100 HydrophobicContact CD1-CG2 4.16Å; L98-V100 PolarHBondContact O-N 2.84Å; L98-L105 HydrophobicContact CD1-CD2 4.08Å
99G72.5Confident72.9Confident66 Ų6666.2 Ų66.268%0.6837%0.373SS*.THydrogen-bonded Turntrans66.620.6-174.300000113.5C95 Q96 L97C95-G99 CarbonylContact O-C 3.53Å; C95-G99 VanDerWaalsContact O-CA 3.32Å; C95-G99 WeakPolarHBondContact O-CA 3.48Å; C95-G99 PolarHBondContact O-N 2.9Å; Q96-G99 PolarHBondContact O-N 2.82Å; L97-G99 VanDerWaalsContact C-N 3.27Å
100V80.1Confident74.2Confident42 Ų4268.3 Ų68.326%0.25538%0.378SS..  trans-105.7143.4-178.5-61.10000111.3C95 L98 V104 L105C95-V100 WeakPolarHBondContact CA-O 3.22Å; C95-V100 VanDerWaalsContact CB-O 3.29Å; C95-V100 WeakPolarHBondContact CB-O 3.12Å; C95-V100 PolarHBondContact O-N 3.3Å; C95-V100 VanDerWaalsContact O-N 3.09Å; L98-V100 HydrophobicContact CB-CG1 4.3Å; L98-V100 HydrophobicContact CB-CG2 3.75Å; L98-V100 HydrophobicContact CD1-CG2 4.16Å; L98-V100 PolarHBondContact O-N 2.84Å; V100-V104 HydrophobicContact CB-CB 4.35Å; V100-L105 HydrophobicContact CG2-CD1 4.3Å; V100-L105 HydrophobicContact CG2-CD2 4.24Å; V100-L105 HydrophobicContact CG2-CG 3.99Å
101P81.5Confident75.4Confident48 Ų4867.6 Ų67.631%0.31236%0.364SS..  trans-57.7147.8169.8-24.333.3000112.6A103 V104P101-A103 PolarHBondContact O-N 2.82Å; P101-V104 HydrophobicContact CB-CG2 4.21Å; P101-V104 HydrophobicContact CG-CG2 4.2Å; P101-V104 WeakPolarHBondContact O-CB 3.31Å; P101-V104 PolarHBondContact O-N 3.2Å
102K80.5Confident76.4Confident97 Ų9767.9 Ų67.942%0.42237%0.365SS..Hα-helixtrans-54-40.3175.1-179.8170.6170.1161.10112.5E91 C95 V104 L105 D106E91-K102 WeakPolarHBondContact OE2-CE 3.49Å; E91-K102 IonicContact OE2-NZ 2.67Å; E91-K102 PolarHBondContact OE2-NZ 3.4Å; C95-K102 WeakPolarHBondContact SG-CA 3.41Å; K102-V104 PolarHBondContact O-N 3.01Å; K102-L105 WeakPolarHBondContact O-CA 3.41Å; K102-L105 WeakPolarHBondContact O-CB 3.5Å; K102-L105 PolarHBondContact O-N 3.34Å; K102-D106 WeakPolarHBondContact CE-OD2 3.2Å; K102-D106 WeakPolarHBondContact CG-OD2 3.2Å; K102-D106 PolarHBondContact O-N 3.23Å
103A83.5Confident77.2Confident9 Ų973 Ų737%0.07439%0.387CS..Hα-helixtrans-59-28.9176.800000114.1P101 Y107 E132 L133P101-A103 PolarHBondContact O-N 2.82Å; A103-Y107 HydrophobicContact CB-CD2 3.81Å; A103-Y107 HydrophobicContact CB-CE2 3.84Å; A103-Y107 WeakPolarHBondContact O-CB 3.32Å; A103-Y107 VanDerWaalsContact O-CD2 3.27Å; A103-Y107 WeakPolarHBondContact O-CD2 3.38Å; A103-Y107 PolarHBondContact O-N 3.12Å; A103-E132 VanDerWaalsContact CB-C 3.48Å; A103-E132 HydrophobicContact CB-CB 3.88Å; A103-E132 WeakPolarHBondContact CB-O 3.35Å; A103-L133 HydrophobicContact CB-CG 4.35Å
104V83Confident78.1Confident32 Ų3279.5 Ų79.519%0.19442%0.417CS..Hα-helixtrans-69-40.9173.6178.90000110.2V100 P101 K102 V108 I109 L133V100-V104 HydrophobicContact CB-CB 4.35Å; P101-V104 HydrophobicContact CB-CG2 4.21Å; P101-V104 HydrophobicContact CG-CG2 4.2Å; P101-V104 WeakPolarHBondContact O-CB 3.31Å; P101-V104 PolarHBondContact O-N 3.2Å; K102-V104 PolarHBondContact O-N 3.01Å; V104-V108 HydrophobicContact CG1-CB 4.5Å; V104-V108 VanDerWaalsContact O-CB 3.27Å; V104-V108 WeakPolarHBondContact O-CB 3.35Å; V104-V108 PolarHBondContact O-N 3.42Å; V104-I109 HydrophobicContact CG1-CD1 3.98Å; V104-I109 HydrophobicContact CG1-CG1 4.46Å; V104-I109 PolarHBondContact O-N 3.48Å; V104-I109 VanDerWaalsContact O-N 3.09Å; V104-L133 HydrophobicContact CB-CD2 4.46Å; V104-L133 HydrophobicContact CG2-CD2 3.77Å
105L81.5Confident78.8Confident6 Ų681 Ų813%0.03142%0.423CS..Iπ-helixtrans-66.2-46.7176.2-68.1172.5000110.8M94 C95 L98 V100 K102 I109 F110M94-L105 HydrophobicContact CB-CD1 4.23Å; M94-L105 HydrophobicContact CE-CD2 4.33Å; M94-L105 HydrophobicContact CG-CD1 4.32Å; M94-L105 HydrophobicContact SD-CD1 3.62Å; M94-L105 HydrophobicContact SD-CD2 3.64Å; M94-L105 HydrophobicContact SD-CG 4.3Å; C95-L105 VanDerWaalsContact SG-CD1 3.55Å; L98-L105 HydrophobicContact CD1-CD2 4.08Å; V100-L105 HydrophobicContact CG2-CD1 4.3Å; V100-L105 HydrophobicContact CG2-CD2 4.24Å; V100-L105 HydrophobicContact CG2-CG 3.99Å; K102-L105 WeakPolarHBondContact O-CA 3.41Å; K102-L105 WeakPolarHBondContact O-CB 3.5Å; K102-L105 PolarHBondContact O-N 3.34Å; L105-I109 HydrophobicContact CD2-CB 4.36Å; L105-I109 HydrophobicContact CD2-CD1 3.79Å; L105-I109 HydrophobicContact CD2-CG2 4.46Å; L105-I109 PolarHBondContact O-N 3.26Å; L105-F110 HydrophobicContact CB-CD2 4.24Å; L105-F110 HydrophobicContact CD2-CD2 4.22Å; L105-F110 HydrophobicContact CD2-CE2 4Å; L105-F110 WeakPolarHBondContact O-CA 3.38Å; L105-F110 WeakPolarHBondContact O-CB 3.29Å; L105-F110 PolarHBondContact O-N 3.24Å
106D82.9Confident79.3Confident59 Ų5983.2 Ų83.232%0.31644%0.439SS..Iπ-helixtrans-76.2-40.9-173-62.4-12000113.1K102 C111K102-D106 WeakPolarHBondContact CE-OD2 3.2Å; K102-D106 WeakPolarHBondContact CG-OD2 3.2Å; K102-D106 PolarHBondContact O-N 3.23Å; D106-C111 VanDerWaalsContact O-CA 3.28Å; D106-C111 WeakPolarHBondContact O-CA 3.34Å; D106-C111 PolarHBondContact O-N 3.46Å
107Y83.1Confident80Confident45 Ų4582.3 Ų82.318%0.17644%0.438CS..Iπ-helixtrans-96.3-17.4-173.9-55.8-47.7000114.8A103 W118 K129 E132 L133A103-Y107 HydrophobicContact CB-CD2 3.81Å; A103-Y107 HydrophobicContact CB-CE2 3.84Å; A103-Y107 WeakPolarHBondContact O-CB 3.32Å; A103-Y107 VanDerWaalsContact O-CD2 3.27Å; A103-Y107 WeakPolarHBondContact O-CD2 3.38Å; A103-Y107 PolarHBondContact O-N 3.12Å; Y107-W118 PolarHBondContact O-NE1 3.15Å; Y107-K129 HydrophobicContact CD1-CD 4.09Å; Y107-K129 HydrophobicContact CD1-CG 4.47Å; Y107-K129 HydrophobicContact CD2-CB 4.49Å; Y107-K129 HydrophobicContact CD2-CG 4.42Å; Y107-K129 HydrophobicContact CE1-CD 4.16Å; Y107-K129 HydrophobicContact CE1-CG 4.22Å; Y107-K129 HydrophobicContact CE2-CB 4.47Å; Y107-K129 HydrophobicContact CE2-CG 4.18Å; Y107-K129 HydrophobicContact CG-CD 4.37Å; Y107-E132 HydrophobicContact CE2-CB 4.19Å; Y107-E132 WeakPolarHBondContact CE2-OE2 3.45Å; Y107-E132 PolarHBondContact OH-OE2 3.39Å; Y107-L133 HydrophobicContact CD2-CD1 4.32Å; Y107-L133 HydrophobicContact CD2-CG 4.4Å
108V81.8Confident80.8Confident89 Ų8976.9 Ų76.954%0.53941%0.407SS..Iπ-helixtrans-118.8-46.4-174.5-171.60000112.1V104 L133V104-V108 HydrophobicContact CG1-CB 4.5Å; V104-V108 VanDerWaalsContact O-CB 3.27Å; V104-V108 WeakPolarHBondContact O-CB 3.35Å; V104-V108 PolarHBondContact O-N 3.42Å; V108-L133 HydrophobicContact CG2-CD1 4.37Å; V108-L133 HydrophobicContact CG2-CD2 3.79Å
109I79.3Confident81.3Confident97 Ų9775.6 Ų75.650%0.49741%0.405SS..Iπ-helixtrans-93.1-48.7-171.2-61.9170.4000112V104 L105V104-I109 HydrophobicContact CG1-CD1 3.98Å; V104-I109 HydrophobicContact CG1-CG1 4.46Å; V104-I109 PolarHBondContact O-N 3.48Å; V104-I109 VanDerWaalsContact O-N 3.09Å; L105-I109 HydrophobicContact CD2-CB 4.36Å; L105-I109 HydrophobicContact CD2-CD1 3.79Å; L105-I109 HydrophobicContact CD2-CG2 4.46Å; L105-I109 PolarHBondContact O-N 3.26Å
110F81Confident81.9Confident133 Ų13379.9 Ų79.958%0.58341%0.411SS*.SBendtrans-110.534.2-179.9-61.8-61.7000112.1M94 L105 H112M94-F110 HydrophobicContact CE-CE2 3.77Å; M94-F110 HydrophobicContact CE-CZ 3.88Å; M94-F110 HydrophobicContact SD-CE2 3.83Å; M94-F110 HydrophobicContact SD-CZ 4.5Å; L105-F110 HydrophobicContact CB-CD2 4.24Å; L105-F110 HydrophobicContact CD2-CD2 4.22Å; L105-F110 HydrophobicContact CD2-CE2 4Å; L105-F110 WeakPolarHBondContact O-CA 3.38Å; L105-F110 WeakPolarHBondContact O-CB 3.29Å; L105-F110 PolarHBondContact O-N 3.24Å; F110-H112 PolarHBondContact O-N 3.5Å
111C80.4Confident82.2Confident35 Ų3579.4 Ų79.424%0.23641%0.41CS..  trans-67.2132.7177.2-168.60000110.8D106D106-C111 VanDerWaalsContact O-CA 3.28Å; D106-C111 WeakPolarHBondContact O-CA 3.34Å; D106-C111 PolarHBondContact O-N 3.46Å
112H79.3Confident82.5Confident114 Ų11483.8 Ų83.853%0.52843%0.426SS..  trans-66.5144.6177-164.2-92.3000110.9F110 E114 E115 S116F110-H112 PolarHBondContact O-N 3.5Å; H112-E114 PolarHBondContact ND1-N 2.92Å; H112-E114 PolarHBondContact O-N 2.86Å; H112-E114 VanDerWaalsContact O-N 3.15Å; H112-E115 HydrophobicContact CB-CB 4.33Å; H112-E115 HydrophobicContact CB-CG 4.24Å; H112-E115 CarbonylContact O-C 3.39Å; H112-E115 WeakPolarHBondContact O-CA 3.38Å; H112-E115 PolarHBondContact O-N 2.98Å; H112-S116 PolarHBondContact O-N 3.18Å
113Q76.9Confident82.8Confident173 Ų17384.5 Ų84.581%0.80844%0.441SS*.THydrogen-bonded Turntrans-57.8-33.3-175.2-177177.2-12.300113.3E115 S116Q113-E115 VanDerWaalsContact C-N 3.33Å; Q113-S116 PolarHBondContact O-OG 3.09Å
114E80.6Confident83.1Confident168 Ų16891.7 Ų91.779%0.78547%0.47SS*.THydrogen-bonded Turntrans-75.5-23.7176.4-61.6-172.9164.800112.9H112H112-E114 PolarHBondContact ND1-N 2.92Å; H112-E114 PolarHBondContact O-N 2.86Å; H112-E114 VanDerWaalsContact O-N 3.15Å
115E79.4Confident83.2Confident103 Ų10394 Ų9448%0.48148%0.481SS..THydrogen-bonded Turntrans-94.9-9.8-177.9-63.7-171.7-174.900113.1H112 Q113 N117 W118H112-E115 HydrophobicContact CB-CB 4.33Å; H112-E115 HydrophobicContact CB-CG 4.24Å; H112-E115 CarbonylContact O-C 3.39Å; H112-E115 WeakPolarHBondContact O-CA 3.38Å; H112-E115 PolarHBondContact O-N 2.98Å; Q113-E115 VanDerWaalsContact C-N 3.33Å; E115-N117 PolarHBondContact O-N 3.05Å; E115-W118 VanDerWaalsContact O-CB 3.29Å; E115-W118 WeakPolarHBondContact O-CB 3.45Å; E115-W118 PolarHBondContact O-N 3.35Å
116S82.2Confident83.5Confident60 Ų6095.6 Ų95.642%0.4249%0.489SS..THydrogen-bonded Turntrans-57.5-24.6-17569.40000114.2H112 Q113 W118 P119H112-S116 PolarHBondContact O-N 3.18Å; Q113-S116 PolarHBondContact O-OG 3.09Å; S116-W118 PolarHBondContact O-N 3.2Å; S116-P119 VanDerWaalsContact O-CD 3.25Å; S116-P119 WeakPolarHBondContact O-CD 3.39Å
117N85.3Confident83.7Confident109 Ų10998.9 Ų98.958%0.58350%0.501SS*.THydrogen-bonded Turntrans-84.29.6178.6-62.4-25.8000113.1E115 P119 L120E115-N117 PolarHBondContact O-N 3.05Å; N117-P119 WeakPolarHBondContact O-CD 3.37Å; N117-P119 VanDerWaalsContact O-N 3.12Å; N117-L120 WeakPolarHBondContact O-CB 3.41Å; N117-L120 PolarHBondContact O-N 2.86Å
118W86.7Confident83.9Confident32 Ų32100.9 Ų100.912%0.12152%0.515CS..G310 helixtrans-53.7-25.517672.7-100.4000115.4Y107 E115 S116 L120 S121 L126 K129 L133Y107-W118 PolarHBondContact O-NE1 3.15Å; E115-W118 VanDerWaalsContact O-CB 3.29Å; E115-W118 WeakPolarHBondContact O-CB 3.45Å; E115-W118 PolarHBondContact O-N 3.35Å; S116-W118 PolarHBondContact O-N 3.2Å; W118-L120 PolarHBondContact O-N 3.11Å; W118-L120 VanDerWaalsContact O-N 3.15Å; W118-S121 WeakPolarHBondContact O-CB 3.38Å; W118-S121 PolarHBondContact O-N 3.38Å; W118-S121 PolarHBondContact O-OG 3Å; W118-L126 HydrophobicContact CE3-CD1 3.91Å; W118-L126 HydrophobicContact CZ3-CD1 3.77Å; W118-K129 HydrophobicContact CB-CD 3.92Å; W118-K129 HydrophobicContact CD2-CD 3.51Å; W118-K129 HydrophobicContact CE3-CB 3.99Å; W118-K129 HydrophobicContact CE3-CD 3.39Å; W118-K129 HydrophobicContact CE3-CG 4.3Å; W118-K129 HydrophobicContact CG-CD 3.74Å; W118-K129 VanDerWaalsContact CG-NZ 3.3Å; W118-K129 HydrophobicContact CZ3-CB 3.85Å; W118-K129 HydrophobicContact CZ3-CD 4.12Å; W118-L133 HydrophobicContact CH2-CD1 3.59Å; W118-L133 HydrophobicContact CZ2-CD1 3.95Å
119P86.1Confident84.1Confident71 Ų7197.9 Ų97.946%0.46149%0.494SS..G310 helixtrans-61.4-19.6172.4-2637.5000114S116 N117S116-P119 VanDerWaalsContact O-CD 3.25Å; S116-P119 WeakPolarHBondContact O-CD 3.39Å; N117-P119 WeakPolarHBondContact O-CD 3.37Å; N117-P119 VanDerWaalsContact O-N 3.12Å
120L84.9Confident84.4Confident155 Ų15597.5 Ų97.581%0.81249%0.489SS*.G310 helixtrans-96.25.2173.8-57.7176.7000112.9N117 W118N117-L120 WeakPolarHBondContact O-CB 3.41Å; N117-L120 PolarHBondContact O-N 2.86Å; W118-L120 PolarHBondContact O-N 3.11Å; W118-L120 VanDerWaalsContact O-N 3.15Å
121S85.9Confident84.7Confident33 Ų3393.9 Ų93.923%0.23148%0.476CS..SBendtrans-67.2167.7177.466.30000111.7W118 L126W118-S121 WeakPolarHBondContact O-CB 3.38Å; W118-S121 PolarHBondContact O-N 3.38Å; W118-S121 PolarHBondContact O-OG 3Å; S121-L126 PolarHBondContact OG-N 3.5Å
122E89.4Confident84.9Confident139 Ų13997.1 Ų97.165%0.6549%0.487SS*.  trans-53.9145.5178.2-62.3-178.7176.100111.5K124 I125 L126E122-K124 PolarHBondContact O-N 2.88Å; E122-I125 PolarHBondContact O-N 2.92Å; E122-L126 PolarHBondContact O-N 2.99Å
123P86.7Confident85.2Confident113 Ų11393 Ų9373%0.73447%0.47SS*.Hα-helixtrans-52.4-27.6-174.3-28.633.9000115.2K127P123-K127 VanDerWaalsContact O-CB 3.25Å; P123-K127 WeakPolarHBondContact O-CB 3.3Å; P123-K127 PolarHBondContact O-N 3.05Å; P123-K127 VanDerWaalsContact O-N 3.09Å
124K88.4Confident85.5Confident159 Ų15991.3 Ų91.369%0.69146%0.459SS*.Hα-helixtrans-71.3-50.9177.6-167.7-179.4178.8-1730112.1E122 L126 K127 D128E122-K124 PolarHBondContact O-N 2.88Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-K127 PolarHBondContact O-N 3.28Å; K124-D128 VanDerWaalsContact O-CG 3.32Å; K124-D128 PolarHBondContact O-N 3.27Å
125I86.6Confident85.4Confident80 Ų8084.4 Ų84.441%0.4143%0.43SS..Hα-helixtrans-65-41.5178.5-59.9168.9000110E122 K127 D128 K129E122-I125 PolarHBondContact O-N 2.92Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.43Å; I125-D128 PolarHBondContact O-N 2.92Å; I125-K129 PolarHBondContact O-N 3.33Å
126L87.8Confident85.4Confident41 Ų4181.1 Ų81.122%0.21542%0.42CS..Hα-helixtrans-58.4-45.3176.2-174.568.3000111.2W118 S121 E122 K124 K129 F130W118-L126 HydrophobicContact CE3-CD1 3.91Å; W118-L126 HydrophobicContact CZ3-CD1 3.77Å; S121-L126 PolarHBondContact OG-N 3.5Å; E122-L126 PolarHBondContact O-N 2.99Å; K124-L126 VanDerWaalsContact C-N 3.33Å; L126-K129 PolarHBondContact O-N 3.22Å; L126-F130 HydrophobicContact CD1-CD2 4.1Å; L126-F130 HydrophobicContact CD1-CE2 3.73Å; L126-F130 HydrophobicContact CD2-CE2 4.21Å; L126-F130 HydrophobicContact CG-CD2 3.83Å; L126-F130 HydrophobicContact CG-CE2 3.73Å; L126-F130 WeakPolarHBondContact O-CD2 3.3Å; L126-F130 PolarHBondContact O-N 3.01Å
127K87.1Confident85.5Confident128 Ų12884.1 Ų84.156%0.55743%0.427SS*.Hα-helixtrans-64.5-44.9177.7-176.5179.6176.1-172.70112P123 K124 I125 K129 F130 D131P123-K127 VanDerWaalsContact O-CB 3.25Å; P123-K127 WeakPolarHBondContact O-CB 3.3Å; P123-K127 PolarHBondContact O-N 3.05Å; P123-K127 VanDerWaalsContact O-N 3.09Å; K124-K127 PolarHBondContact O-N 3.28Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.43Å; K127-K129 VanDerWaalsContact C-N 3.3Å; K127-K129 PolarHBondContact O-N 3.44Å; K127-F130 PolarHBondContact O-N 3.15Å; K127-F130 VanDerWaalsContact O-N 3.13Å; K127-D131 WeakPolarHBondContact CE-OD2 3.5Å; K127-D131 WeakPolarHBondContact O-CB 3.49Å; K127-D131 PolarHBondContact O-N 3.44Å
128D86.2Confident85.3Confident87 Ų8787.9 Ų87.947%0.46543%0.433SS..Hα-helixtrans-60.1-42.7177.9-65.4-18.3000110.7K124 I125 D131 E132K124-D128 VanDerWaalsContact O-CG 3.32Å; K124-D128 PolarHBondContact O-N 3.27Å; I125-D128 PolarHBondContact O-N 2.92Å; D128-D131 PolarHBondContact O-N 3.32Å; D128-E132 PolarHBondContact O-N 2.89Å
129K85.5Confident85.1Confident25 Ų2594.2 Ų94.211%0.10946%0.459CS..Hα-helixtrans-63.4-40.3173.7-73.2-169.8173.8-161.80112.7Y107 W118 I125 L126 K127 L133Y107-K129 HydrophobicContact CD1-CD 4.09Å; Y107-K129 HydrophobicContact CD1-CG 4.47Å; Y107-K129 HydrophobicContact CD2-CB 4.49Å; Y107-K129 HydrophobicContact CD2-CG 4.42Å; Y107-K129 HydrophobicContact CE1-CD 4.16Å; Y107-K129 HydrophobicContact CE1-CG 4.22Å; Y107-K129 HydrophobicContact CE2-CB 4.47Å; Y107-K129 HydrophobicContact CE2-CG 4.18Å; Y107-K129 HydrophobicContact CG-CD 4.37Å; W118-K129 HydrophobicContact CB-CD 3.92Å; W118-K129 HydrophobicContact CD2-CD 3.51Å; W118-K129 HydrophobicContact CE3-CB 3.99Å; W118-K129 HydrophobicContact CE3-CD 3.39Å; W118-K129 HydrophobicContact CE3-CG 4.3Å; W118-K129 HydrophobicContact CG-CD 3.74Å; W118-K129 VanDerWaalsContact CG-NZ 3.3Å; W118-K129 HydrophobicContact CZ3-CB 3.85Å; W118-K129 HydrophobicContact CZ3-CD 4.12Å; I125-K129 PolarHBondContact O-N 3.33Å; L126-K129 PolarHBondContact O-N 3.22Å; K127-K129 VanDerWaalsContact C-N 3.3Å; K127-K129 PolarHBondContact O-N 3.44Å; K129-L133 VanDerWaalsContact O-CB 3.28Å; K129-L133 WeakPolarHBondContact O-CB 3.31Å; K129-L133 PolarHBondContact O-N 2.8Å
130F86.2Confident85.1Confident89 Ų8994.6 Ų94.639%0.3946%0.46SS..Hα-helixtrans-66.1-41.7174.6-89.8-64.2000112.8L126 K127 E132 L133 F134L126-F130 HydrophobicContact CD1-CD2 4.1Å; L126-F130 HydrophobicContact CD1-CE2 3.73Å; L126-F130 HydrophobicContact CD2-CE2 4.21Å; L126-F130 HydrophobicContact CG-CD2 3.83Å; L126-F130 HydrophobicContact CG-CE2 3.73Å; L126-F130 WeakPolarHBondContact O-CD2 3.3Å; L126-F130 PolarHBondContact O-N 3.01Å; K127-F130 PolarHBondContact O-N 3.15Å; K127-F130 VanDerWaalsContact O-N 3.13Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-E132 PolarHBondContact O-N 2.96Å; F130-L133 PolarHBondContact O-N 3.15Å; F130-F134 HydrophobicContact CD1-CD2 4.03Å; F130-F134 AromaticContact CD1-CE2 3.47Å; F130-F134 HydrophobicContact CD1-CE2 3.47Å; F130-F134 VanDerWaalsContact CD1-CE2 3.47Å; F130-F134 HydrophobicContact CD1-CZ 4.41Å; F130-F134 AromaticContact CE1-CE2 4Å; F130-F134 HydrophobicContact CE1-CE2 4Å; F130-F134 VanDerWaalsContact O-CD2 3.28Å; F130-F134 WeakPolarHBondContact O-CD2 3.44Å; F130-F134 PolarHBondContact O-N 3.47Å
131D86.1Confident85.3Confident58 Ų5893.5 Ų93.531%0.3145%0.448SS..Hα-helixtrans-65.5-35.4178.8-77.2-25.9000111K127 D128 C135 A136K127-D131 WeakPolarHBondContact CE-OD2 3.5Å; K127-D131 WeakPolarHBondContact O-CB 3.49Å; K127-D131 PolarHBondContact O-N 3.44Å; D128-D131 PolarHBondContact O-N 3.32Å; D131-C135 CarbonylContact O-C 3.58Å; D131-C135 VanDerWaalsContact O-CA 3.25Å; D131-C135 WeakPolarHBondContact O-CA 3.15Å; D131-C135 PolarHBondContact O-N 3.44Å; D131-A136 PolarHBondContact O-N 2.86Å
132E85.9Confident85.4Confident102 Ų10294.5 Ų94.548%0.47746%0.459SS..Hα-helixtrans-72-44.2171.6-75.6-172.9178.600113.2A103 Y107 D128 F130 F134 C135A103-E132 VanDerWaalsContact CB-C 3.48Å; A103-E132 HydrophobicContact CB-CB 3.88Å; A103-E132 WeakPolarHBondContact CB-O 3.35Å; Y107-E132 HydrophobicContact CE2-CB 4.19Å; Y107-E132 WeakPolarHBondContact CE2-OE2 3.45Å; Y107-E132 PolarHBondContact OH-OE2 3.39Å; D128-E132 PolarHBondContact O-N 2.89Å; F130-E132 VanDerWaalsContact C-N 3.31Å; F130-E132 PolarHBondContact O-N 2.96Å; E132-F134 PolarHBondContact O-N 3.5Å; E132-C135 PolarHBondContact O-N 3.47Å; E132-C135 VanDerWaalsContact O-N 3.11Å; E132-C135 PolarHBondContact O-SG 2.94Å
133L84.6Confident85.4Confident29 Ų2991.1 Ų91.115%0.15245%0.448CS..Hα-helixtrans-58.3-47.9177.2-103.7150000112.1A103 V104 Y107 V108 W118 K129 F130 C135A103-L133 HydrophobicContact CB-CG 4.35Å; V104-L133 HydrophobicContact CB-CD2 4.46Å; V104-L133 HydrophobicContact CG2-CD2 3.77Å; Y107-L133 HydrophobicContact CD2-CD1 4.32Å; Y107-L133 HydrophobicContact CD2-CG 4.4Å; V108-L133 HydrophobicContact CG2-CD1 4.37Å; V108-L133 HydrophobicContact CG2-CD2 3.79Å; W118-L133 HydrophobicContact CH2-CD1 3.59Å; W118-L133 HydrophobicContact CZ2-CD1 3.95Å; K129-L133 VanDerWaalsContact O-CB 3.28Å; K129-L133 WeakPolarHBondContact O-CB 3.31Å; K129-L133 PolarHBondContact O-N 2.8Å; F130-L133 PolarHBondContact O-N 3.15Å; L133-C135 VanDerWaalsContact C-N 3.29Å
134F83.5Confident85.6Confident136 Ų13689.7 Ų89.760%0.59643%0.433SS*.THydrogen-bonded Turntrans-84.1-4.7177.2-66.9-60.9000113.2F130 E132 A136 Y139F130-F134 HydrophobicContact CD1-CD2 4.03Å; F130-F134 AromaticContact CD1-CE2 3.47Å; F130-F134 HydrophobicContact CD1-CE2 3.47Å; F130-F134 VanDerWaalsContact CD1-CE2 3.47Å; F130-F134 HydrophobicContact CD1-CZ 4.41Å; F130-F134 AromaticContact CE1-CE2 4Å; F130-F134 HydrophobicContact CE1-CE2 4Å; F130-F134 VanDerWaalsContact O-CD2 3.28Å; F130-F134 WeakPolarHBondContact O-CD2 3.44Å; F130-F134 PolarHBondContact O-N 3.47Å; E132-F134 PolarHBondContact O-N 3.5Å; F134-A136 PolarHBondContact O-N 3.16Å; F134-A136 VanDerWaalsContact O-N 3.13Å; F134-Y139 WeakPolarHBondContact O-CD2 3.29Å; F134-Y139 WeakPolarHBondContact O-CE2 3.25Å
135C78.9Confident85.7Confident24 Ų2487 Ų8716%0.16242%0.423CS..THydrogen-bonded Turntrans48.139.6-173.9-72.20000111.9D131 E132 L133 E137 R138 Y139D131-C135 CarbonylContact O-C 3.58Å; D131-C135 VanDerWaalsContact O-CA 3.25Å; D131-C135 WeakPolarHBondContact O-CA 3.15Å; D131-C135 PolarHBondContact O-N 3.44Å; E132-C135 PolarHBondContact O-N 3.47Å; E132-C135 VanDerWaalsContact O-N 3.11Å; E132-C135 PolarHBondContact O-SG 2.94Å; L133-C135 VanDerWaalsContact C-N 3.29Å; C135-E137 PolarHBondContact O-N 2.9Å; C135-E137 VanDerWaalsContact O-N 3.13Å; C135-R138 HydrophobicContact CB-CB 4.29Å; C135-R138 HydrophobicContact CB-CG 4.37Å; C135-R138 WeakPolarHBondContact O-CB 3.44Å; C135-R138 PolarHBondContact O-N 3.15Å; C135-Y139 WeakPolarHBondContact O-CD2 3.27Å; C135-Y139 PolarHBondContact O-N 2.94Å
136A80Confident86.1Confident34 Ų3487.7 Ų87.728%0.28143%0.431SS..Hα-helixtrans-57.6-34.7-169.900000111.9D131 F134 R138 Y139 T140D131-A136 PolarHBondContact O-N 2.86Å; F134-A136 PolarHBondContact O-N 3.16Å; F134-A136 VanDerWaalsContact O-N 3.13Å; A136-R138 PolarHBondContact O-N 2.99Å; A136-Y139 PolarHBondContact O-N 3.4Å; A136-T140 WeakPolarHBondContact O-CG2 3.46Å; A136-T140 PolarHBondContact O-N 3.36Å; A136-T140 PolarHBondContact O-OG1 3.07Å
137E83.4Confident86.3Confident122 Ų12291.8 Ų91.857%0.5744%0.444SS*.Hα-helixtrans-63.1-36.4173.6-67.9-162.6177.700114.2C135 T140 K141C135-E137 PolarHBondContact O-N 2.9Å; C135-E137 VanDerWaalsContact O-N 3.13Å; E137-T140 VanDerWaalsContact C-OG1 3.31Å; E137-T140 VanDerWaalsContact CA-OG1 3.25Å; E137-T140 WeakPolarHBondContact CA-OG1 3.33Å; E137-T140 PolarHBondContact O-OG1 3.49Å; E137-K141 WeakPolarHBondContact O-CB 3.32Å; E137-K141 VanDerWaalsContact O-CG 3.23Å; E137-K141 WeakPolarHBondContact O-CG 3.29Å; E137-K141 PolarHBondContact O-N 2.91Å; E137-K141 IonicContact OE2-NZ 2.9Å; E137-K141 PolarHBondContact OE2-NZ 2.92Å
138R81Confident86.6Confident188 Ų18892.1 Ų92.171%0.70945%0.445SS*.Hα-helixtrans-71.2-41.1179.5-66.5-174178-170.70.8110.5C135 A136 K141 A142C135-R138 HydrophobicContact CB-CB 4.29Å; C135-R138 HydrophobicContact CB-CG 4.37Å; C135-R138 WeakPolarHBondContact O-CB 3.44Å; C135-R138 PolarHBondContact O-N 3.15Å; A136-R138 PolarHBondContact O-N 2.99Å; R138-K141 PolarHBondContact O-N 3.25Å; R138-A142 VanDerWaalsContact O-CB 3.27Å; R138-A142 WeakPolarHBondContact O-CB 3.28Å; R138-A142 PolarHBondContact O-N 2.88Å
139Y82.4Confident87Confident166 Ų16692.7 Ų92.765%0.65145%0.447SS*.Hα-helixtrans-63.5-44.6175.4-75.8-70.4000111.9F134 C135 A136 A142 V143F134-Y139 WeakPolarHBondContact O-CD2 3.29Å; F134-Y139 WeakPolarHBondContact O-CE2 3.25Å; C135-Y139 WeakPolarHBondContact O-CD2 3.27Å; C135-Y139 PolarHBondContact O-N 2.94Å; A136-Y139 PolarHBondContact O-N 3.4Å; Y139-A142 PolarHBondContact O-N 2.91Å; Y139-V143 WeakPolarHBondContact O-CB 3.46Å; Y139-V143 WeakPolarHBondContact O-CG2 3.39Å; Y139-V143 PolarHBondContact O-N 3.37Å
140T86.5Confident87.5Confident79 Ų7998.4 Ų98.449%0.48547%0.468SS..Hα-helixtrans-62.5-46.4176.646.60000111.9A136 E137 A142 V143 D144A136-T140 WeakPolarHBondContact O-CG2 3.46Å; A136-T140 PolarHBondContact O-N 3.36Å; A136-T140 PolarHBondContact O-OG1 3.07Å; E137-T140 VanDerWaalsContact C-OG1 3.31Å; E137-T140 VanDerWaalsContact CA-OG1 3.25Å; E137-T140 WeakPolarHBondContact CA-OG1 3.33Å; E137-T140 PolarHBondContact O-OG1 3.49Å; T140-A142 PolarHBondContact O-N 3Å; T140-V143 PolarHBondContact O-N 3.23Å; T140-D144 PolarHBondContact O-N 2.87Å
141K88.7Confident87.9Confident131 Ų13198.2 Ų98.257%0.5747%0.471SS*.Hα-helixtrans-59.7-44.2174.1-73.2170.5-174.4162.90112.6E137 R138 D144 E145E137-K141 WeakPolarHBondContact O-CB 3.32Å; E137-K141 VanDerWaalsContact O-CG 3.23Å; E137-K141 WeakPolarHBondContact O-CG 3.29Å; E137-K141 PolarHBondContact O-N 2.91Å; E137-K141 IonicContact OE2-NZ 2.9Å; E137-K141 PolarHBondContact OE2-NZ 2.92Å; R138-K141 PolarHBondContact O-N 3.25Å; K141-D144 PolarHBondContact O-N 3.14Å; K141-E145 PolarHBondContact O-N 3.05Å
142A88.1Confident88.3Confident54 Ų5499.9 Ų99.945%0.44648%0.48SS..Hα-helixtrans-64.4-42.5177.800000112R138 Y139 T140 D144 E145 V146R138-A142 VanDerWaalsContact O-CB 3.27Å; R138-A142 WeakPolarHBondContact O-CB 3.28Å; R138-A142 PolarHBondContact O-N 2.88Å; Y139-A142 PolarHBondContact O-N 2.91Å; T140-A142 PolarHBondContact O-N 3Å; A142-D144 VanDerWaalsContact C-N 3.31Å; A142-D144 PolarHBondContact O-N 2.9Å; A142-E145 PolarHBondContact O-N 3.02Å; A142-V146 WeakPolarHBondContact O-CB 3.42Å; A142-V146 VanDerWaalsContact O-CG2 3.29Å; A142-V146 WeakPolarHBondContact O-CG2 3.44Å; A142-V146 PolarHBondContact O-N 3.28Å
143V89.4Confident88.6Confident69 Ų69100.1 Ų100.142%0.41848%0.483SS..Hα-helixtrans-61.2-41.8174.9167.90000110.8Y139 T140 V146 R147Y139-V143 WeakPolarHBondContact O-CB 3.46Å; Y139-V143 WeakPolarHBondContact O-CG2 3.39Å; Y139-V143 PolarHBondContact O-N 3.37Å; T140-V143 PolarHBondContact O-N 3.23Å; V143-V146 PolarHBondContact O-N 3.42Å; V143-R147 WeakPolarHBondContact O-CB 3.36Å; V143-R147 VanDerWaalsContact O-CG 3.26Å; V143-R147 WeakPolarHBondContact O-CG 3.35Å; V143-R147 PolarHBondContact O-N 3.33Å
144D90.6Very high89Confident82 Ų82107.4 Ų107.444%0.43951%0.508SS..Hα-helixtrans-67.7-37.5177.3-73-24.7000112.4T140 K141 A142 R147 K148T140-D144 PolarHBondContact O-N 2.87Å; K141-D144 PolarHBondContact O-N 3.14Å; A142-D144 VanDerWaalsContact C-N 3.31Å; A142-D144 PolarHBondContact O-N 2.9Å; D144-R147 WeakPolarHBondContact O-CB 3.29Å; D144-R147 PolarHBondContact O-N 3.15Å; D144-R147 IonicContact OD1-CZ 2.98Å; D144-R147 IonicContact OD1-NH1 2.75Å; D144-R147 PolarHBondContact OD1-NH1 2.91Å; D144-K148 PolarHBondContact O-N 2.9Å
145E91.5Very high89.5Confident103 Ų103103.8 Ų103.848%0.48150%0.5SS..Hα-helixtrans-68.4-40.4175.6-145.262.8-169.200111.8K141 A142 R147 K148 I149K141-E145 PolarHBondContact O-N 3.05Å; A142-E145 PolarHBondContact O-N 3.02Å; E145-R147 VanDerWaalsContact C-N 3.32Å; E145-R147 PolarHBondContact O-N 3.49Å; E145-K148 VanDerWaalsContact O-CB 3.28Å; E145-K148 WeakPolarHBondContact O-CB 3.41Å; E145-K148 PolarHBondContact O-N 2.61Å; E145-K148 VanDerWaalsContact O-N 3.16Å; E145-K148 IonicContact OE2-NZ 3.91Å; E145-I149 WeakPolarHBondContact O-CG1 3.25Å; E145-I149 PolarHBondContact O-N 3.41Å
146V93.7Very high90.3Very high95 Ų95106.4 Ų106.458%0.57651%0.51SS*.Hα-helixtrans-61-41.6171.2170.30000110.9A142 V143 K148 I149 R150A142-V146 WeakPolarHBondContact O-CB 3.42Å; A142-V146 VanDerWaalsContact O-CG2 3.29Å; A142-V146 WeakPolarHBondContact O-CG2 3.44Å; A142-V146 PolarHBondContact O-N 3.28Å; V143-V146 PolarHBondContact O-N 3.42Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 2.96Å; V146-I149 PolarHBondContact O-N 3.38Å; V146-R150 WeakPolarHBondContact O-CB 3.45Å; V146-R150 PolarHBondContact O-N 3.01Å
147R93.6Very high91Very high127 Ų127109.2 Ų109.248%0.47952%0.519SS..Hα-helixtrans-62.3-40.3174.1-75.8169.5-179.3171.3-3.1111.4V143 D144 E145 R150 N151V143-R147 WeakPolarHBondContact O-CB 3.36Å; V143-R147 VanDerWaalsContact O-CG 3.26Å; V143-R147 WeakPolarHBondContact O-CG 3.35Å; V143-R147 PolarHBondContact O-N 3.33Å; D144-R147 WeakPolarHBondContact O-CB 3.29Å; D144-R147 PolarHBondContact O-N 3.15Å; D144-R147 IonicContact OD1-CZ 2.98Å; D144-R147 IonicContact OD1-NH1 2.75Å; D144-R147 PolarHBondContact OD1-NH1 2.91Å; E145-R147 VanDerWaalsContact C-N 3.32Å; E145-R147 PolarHBondContact O-N 3.49Å; R147-R150 PolarHBondContact O-N 3.01Å; R147-N151 WeakPolarHBondContact O-CB 3.5Å; R147-N151 PolarHBondContact O-N 2.63Å; R147-N151 PolarHBondContact O-ND2 2.95Å; R147-N151 PolarHBondContact O-OD1 2.98Å
148K93.6Very high91.5Very high134 Ų134107 Ų10758%0.58352%0.517SS*.Hα-helixtrans-60.9-49.6175.8-125.1178.5-174.4175.10111.7D144 E145 V146 R150 N151 N152D144-K148 PolarHBondContact O-N 2.9Å; E145-K148 VanDerWaalsContact O-CB 3.28Å; E145-K148 WeakPolarHBondContact O-CB 3.41Å; E145-K148 PolarHBondContact O-N 2.61Å; E145-K148 VanDerWaalsContact O-N 3.16Å; E145-K148 IonicContact OE2-NZ 3.91Å; V146-K148 VanDerWaalsContact C-N 3.33Å; V146-K148 PolarHBondContact O-N 2.96Å; K148-R150 PolarHBondContact O-N 3.17Å; K148-N151 PolarHBondContact O-N 3.48Å; K148-N152 PolarHBondContact O-N 3.43Å
149I94.3Very high92.1Very high100 Ų100102.8 Ų102.851%0.51351%0.509SS..Hα-helixtrans-60.4-46.3177.1-66.4167.7000110.3E145 V146 N151 N152 M153E145-I149 WeakPolarHBondContact O-CG1 3.25Å; E145-I149 PolarHBondContact O-N 3.41Å; V146-I149 PolarHBondContact O-N 3.38Å; I149-N151 VanDerWaalsContact C-N 3.32Å; I149-N151 PolarHBondContact O-N 3.14Å; I149-N152 PolarHBondContact O-N 2.85Å; I149-M153 HydrophobicContact CG2-CG 4.39Å; I149-M153 WeakPolarHBondContact O-CB 3.21Å; I149-M153 WeakPolarHBondContact O-CG 3.41Å; I149-M153 PolarHBondContact O-N 2.8Å
150R95.3Very high92.6Very high145 Ų145101 Ų10155%0.54750%0.504SS..Hα-helixtrans-58.6-43.2176.5-176.1-16567.7175.4-1.1111.7V146 R147 K148 R154V146-R150 WeakPolarHBondContact O-CB 3.45Å; V146-R150 PolarHBondContact O-N 3.01Å; R147-R150 PolarHBondContact O-N 3.01Å; K148-R150 PolarHBondContact O-N 3.17Å; R150-R154 VanDerWaalsContact O-CB 3.32Å; R150-R154 WeakPolarHBondContact O-CB 3.21Å; R150-R154 PolarHBondContact O-N 2.72Å
151N93.9Very high93Very high85 Ų85103.7 Ų103.746%0.45551%0.509SS..Hα-helixtrans-67.9-39.4179.2-69.5-7.2000111.7R147 K148 I149 R154 S155R147-N151 WeakPolarHBondContact O-CB 3.5Å; R147-N151 PolarHBondContact O-N 2.63Å; R147-N151 PolarHBondContact O-ND2 2.95Å; R147-N151 PolarHBondContact O-OD1 2.98Å; K148-N151 PolarHBondContact O-N 3.48Å; I149-N151 VanDerWaalsContact C-N 3.32Å; I149-N151 PolarHBondContact O-N 3.14Å; N151-R154 PolarHBondContact O-N 2.99Å; N151-S155 PolarHBondContact O-N 3.36Å
152N94.6Very high93.1Very high93 Ų93101.6 Ų101.650%0.49751%0.51SS..Hα-helixtrans-63.1-49.2173.7-173.28.7000111.5K148 I149 R154 S155 Q156K148-N152 PolarHBondContact O-N 3.43Å; I149-N152 PolarHBondContact O-N 2.85Å; N152-R154 VanDerWaalsContact C-N 3.29Å; N152-R154 PolarHBondContact O-N 3.13Å; N152-S155 CarbonylContact O-C 3.56Å; N152-S155 WeakPolarHBondContact O-CA 3.27Å; N152-S155 WeakPolarHBondContact O-CB 2.92Å; N152-S155 PolarHBondContact O-N 3.44Å; N152-Q156 WeakPolarHBondContact O-CG 3.28Å; N152-Q156 PolarHBondContact O-N 3.09Å; N152-Q156 PolarHBondContact OD1-NE2 3.33Å
153M92.6Very high93.3Very high107 Ų107104 Ų10453%0.52751%0.512SS..Hα-helixtrans-56.7-42.5174.5-75.3-80.9-179.400111.7I149 S155 Q156 I157I149-M153 HydrophobicContact CG2-CG 4.39Å; I149-M153 WeakPolarHBondContact O-CB 3.21Å; I149-M153 WeakPolarHBondContact O-CG 3.41Å; I149-M153 PolarHBondContact O-N 2.8Å; M153-S155 VanDerWaalsContact C-N 3.33Å; M153-S155 PolarHBondContact O-N 2.93Å; M153-Q156 PolarHBondContact O-N 3Å; M153-I157 WeakPolarHBondContact O-CB 3.49Å; M153-I157 VanDerWaalsContact O-CG1 3.25Å; M153-I157 WeakPolarHBondContact O-CG1 3.46Å; M153-I157 PolarHBondContact O-N 3.35Å
154R94.4Very high93.5Very high181 Ų181105.8 Ų105.868%0.68352%0.519SS*.Hα-helixtrans-62.6-40.1175.5-171.8-178.8-110.5-168.9-4.4111.8R150 N151 N152 S158R150-R154 VanDerWaalsContact O-CB 3.32Å; R150-R154 WeakPolarHBondContact O-CB 3.21Å; R150-R154 PolarHBondContact O-N 2.72Å; N151-R154 PolarHBondContact O-N 2.99Å; N152-R154 VanDerWaalsContact C-N 3.29Å; N152-R154 PolarHBondContact O-N 3.13Å; R154-S158 WeakPolarHBondContact O-CB 3.27Å; R154-S158 PolarHBondContact O-N 3.41Å
155S93.9Very high93.7Very high61 Ų61109.1 Ų109.143%0.42753%0.529SS..Hα-helixtrans-63.9-44.6174.1-167.30000111.8N151 N152 M153 S158 N159N151-S155 PolarHBondContact O-N 3.36Å; N152-S155 CarbonylContact O-C 3.56Å; N152-S155 WeakPolarHBondContact O-CA 3.27Å; N152-S155 WeakPolarHBondContact O-CB 2.92Å; N152-S155 PolarHBondContact O-N 3.44Å; M153-S155 VanDerWaalsContact C-N 3.33Å; M153-S155 PolarHBondContact O-N 2.93Å; S155-S158 WeakPolarHBondContact O-CB 3.36Å; S155-S158 PolarHBondContact O-N 3.43Å; S155-N159 PolarHBondContact O-N 2.89Å; S155-N159 PolarHBondContact O-OD1 3.14Å
156Q95Very high93.7Very high79 Ų79111.3 Ų111.337%0.36954%0.535SS..Hα-helixtrans-63.4-44.9177.4-69.8-179.612.400111.9N152 M153 S158 N159 F160N152-Q156 WeakPolarHBondContact O-CG 3.28Å; N152-Q156 PolarHBondContact O-N 3.09Å; N152-Q156 PolarHBondContact OD1-NE2 3.33Å; M153-Q156 PolarHBondContact O-N 3Å; Q156-S158 PolarHBondContact O-N 3.19Å; Q156-N159 PolarHBondContact O-N 2.96Å; Q156-N159 VanDerWaalsContact O-N 3.13Å; Q156-F160 HydrophobicContact CB-CD2 4.39Å; Q156-F160 HydrophobicContact CB-CE2 4.17Å; Q156-F160 WeakPolarHBondContact O-CD2 3.28Å; Q156-F160 WeakPolarHBondContact O-CG 3.49Å; Q156-F160 PolarHBondContact O-N 3.02Å
157I95Very high93.6Very high92 Ų92111.2 Ų111.247%0.47253%0.53SS..Hα-helixtrans-59.3-38.9174.9-69.2165.7000110.7M153 K161M153-I157 WeakPolarHBondContact O-CB 3.49Å; M153-I157 VanDerWaalsContact O-CG1 3.25Å; M153-I157 WeakPolarHBondContact O-CG1 3.46Å; M153-I157 PolarHBondContact O-N 3.35Å; I157-K161 HydrophobicContact CG2-CD 4.24Å; I157-K161 WeakPolarHBondContact O-CB 3.43Å; I157-K161 VanDerWaalsContact O-CG 3.25Å; I157-K161 WeakPolarHBondContact O-CG 3.43Å; I157-K161 PolarHBondContact O-N 2.97Å
158S94.2Very high93.7Very high75 Ų75109.5 Ų109.552%0.52453%0.53SS..Hα-helixtrans-64.3-44.2175.4-168.10000111.9R154 S155 Q156 K161 C162R154-S158 WeakPolarHBondContact O-CB 3.27Å; R154-S158 PolarHBondContact O-N 3.41Å; S155-S158 WeakPolarHBondContact O-CB 3.36Å; S155-S158 PolarHBondContact O-N 3.43Å; Q156-S158 PolarHBondContact O-N 3.19Å; S158-K161 PolarHBondContact O-N 3.24Å; S158-C162 PolarHBondContact O-N 2.94Å
159N93Very high93.6Very high101 Ų101106.1 Ų106.154%0.5452%0.521SS..Hα-helixtrans-64-48.1177.4-69.8-6.2000111.6S155 Q156 K161 C162 E163S155-N159 PolarHBondContact O-N 2.89Å; S155-N159 PolarHBondContact O-OD1 3.14Å; Q156-N159 PolarHBondContact O-N 2.96Å; Q156-N159 VanDerWaalsContact O-N 3.13Å; N159-K161 VanDerWaalsContact C-N 3.29Å; N159-K161 PolarHBondContact O-N 3.09Å; N159-C162 WeakPolarHBondContact O-CA 3.32Å; N159-C162 WeakPolarHBondContact O-CB 3.5Å; N159-C162 PolarHBondContact O-N 3.01Å; N159-E163 WeakPolarHBondContact O-CB 3.4Å; N159-E163 PolarHBondContact O-N 2.67Å
160F93.8Very high93.5Very high128 Ų128103.8 Ų103.856%0.56151%0.509SS*.Hα-helixtrans-62.1-35.2176.4-70.4-50.2000112.5Q156 C162 E163 L164Q156-F160 HydrophobicContact CB-CD2 4.39Å; Q156-F160 HydrophobicContact CB-CE2 4.17Å; Q156-F160 WeakPolarHBondContact O-CD2 3.28Å; Q156-F160 WeakPolarHBondContact O-CG 3.49Å; Q156-F160 PolarHBondContact O-N 3.02Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-E163 PolarHBondContact O-N 3.08Å; F160-L164 WeakPolarHBondContact O-CB 3.29Å; F160-L164 PolarHBondContact O-N 2.68Å
161K94Very high93.4Very high135 Ų135103 Ų10359%0.58751%0.51SS*.Hα-helixtrans-64.8-38.7172.1-79.8178.2-179.7-175.10112.2I157 S158 N159 K165I157-K161 HydrophobicContact CG2-CD 4.24Å; I157-K161 WeakPolarHBondContact O-CB 3.43Å; I157-K161 VanDerWaalsContact O-CG 3.25Å; I157-K161 WeakPolarHBondContact O-CG 3.43Å; I157-K161 PolarHBondContact O-N 2.97Å; S158-K161 PolarHBondContact O-N 3.24Å; N159-K161 VanDerWaalsContact C-N 3.29Å; N159-K161 PolarHBondContact O-N 3.09Å; K161-K165 WeakPolarHBondContact O-CG 3.43Å; K161-K165 PolarHBondContact O-N 3.34Å
162C90.5Very high93.4Very high88 Ų88104.1 Ų104.160%0.59551%0.512SS*.Hα-helixtrans-67.7-44.7176.1-1660000111.3S158 N159 F160 K165 Y166S158-C162 PolarHBondContact O-N 2.94Å; N159-C162 WeakPolarHBondContact O-CA 3.32Å; N159-C162 WeakPolarHBondContact O-CB 3.5Å; N159-C162 PolarHBondContact O-N 3.01Å; F160-C162 VanDerWaalsContact C-N 3.34Å; C162-K165 PolarHBondContact O-N 3.22Å; C162-Y166 PolarHBondContact O-N 2.92Å; C162-Y166 VanDerWaalsContact O-N 3.09Å
163E93.2Very high93.3Very high104 Ų104107 Ų10749%0.48652%0.516SS..Hα-helixtrans-64.2-42.4177.8-171173.6-171.200111.9N159 F160 K165 Y166 L167N159-E163 WeakPolarHBondContact O-CB 3.4Å; N159-E163 PolarHBondContact O-N 2.67Å; F160-E163 PolarHBondContact O-N 3.08Å; E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 2.79Å; E163-Y166 WeakPolarHBondContact O-CB 3.25Å; E163-Y166 PolarHBondContact O-N 3.23Å; E163-Y166 VanDerWaalsContact O-N 3.16Å; E163-L167 HydrophobicContact CG-CD1 4.02Å; E163-L167 HydrophobicContact CG-CG 4.38Å; E163-L167 WeakPolarHBondContact O-CB 3.28Å; E163-L167 WeakPolarHBondContact O-CG 3.37Å; E163-L167 PolarHBondContact O-N 3.11Å
164L93.7Very high93.2Very high106 Ų106104.5 Ų104.556%0.55551%0.512SS*.Hα-helixtrans-61-41.5176.1-175.268.3000112.1F160 Y166 L167 L168F160-L164 WeakPolarHBondContact O-CB 3.29Å; F160-L164 PolarHBondContact O-N 2.68Å; L164-Y166 VanDerWaalsContact C-N 3.34Å; L164-L167 PolarHBondContact O-N 3.14Å; L164-L168 HydrophobicContact CG-CD1 4.33Å; L164-L168 WeakPolarHBondContact O-CB 3.36Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.43Å
165K93.2Very high93.2Very high152 Ų15299.2 Ų99.266%0.66150%0.498SS*.Hα-helixtrans-61.5-43.7174.4-74.8177.6179.1-172.70111.5K161 C162 E163 L168 V169K161-K165 WeakPolarHBondContact O-CG 3.43Å; K161-K165 PolarHBondContact O-N 3.34Å; C162-K165 PolarHBondContact O-N 3.22Å; E163-K165 VanDerWaalsContact C-N 3.34Å; E163-K165 PolarHBondContact O-N 2.79Å; K165-L168 PolarHBondContact O-N 3.15Å; K165-V169 WeakPolarHBondContact O-CG2 3.23Å; K165-V169 PolarHBondContact O-N 2.96Å
166Y92Very high93.2Very high150 Ų150102.5 Ų102.559%0.58850%0.504SS*.Hα-helixtrans-64-44.7177174.7-102.7000112.1C162 E163 L164 L168 V169 N170C162-Y166 PolarHBondContact O-N 2.92Å; C162-Y166 VanDerWaalsContact O-N 3.09Å; E163-Y166 WeakPolarHBondContact O-CB 3.25Å; E163-Y166 PolarHBondContact O-N 3.23Å; E163-Y166 VanDerWaalsContact O-N 3.16Å; L164-Y166 VanDerWaalsContact C-N 3.34Å; Y166-L168 VanDerWaalsContact C-N 3.35Å; Y166-L168 PolarHBondContact O-N 3.44Å; Y166-V169 PolarHBondContact O-N 2.94Å; Y166-N170 WeakPolarHBondContact CE1-ND2 3.12Å; Y166-N170 PolarHBondContact O-N 3.43Å; Y166-N170 PolarHBondContact OH-ND2 3.48Å
167L93Very high93.1Very high93 Ų93104 Ų10449%0.48751%0.514SS..Hα-helixtrans-64.6-36.7177.8-72.3172000112.4E163 L164 N170 K171E163-L167 HydrophobicContact CG-CD1 4.02Å; E163-L167 HydrophobicContact CG-CG 4.38Å; E163-L167 WeakPolarHBondContact O-CB 3.28Å; E163-L167 WeakPolarHBondContact O-CG 3.37Å; E163-L167 PolarHBondContact O-N 3.11Å; L164-L167 PolarHBondContact O-N 3.14Å; L167-N170 PolarHBondContact O-N 3.4Å; L167-K171 WeakPolarHBondContact O-CB 3.32Å; L167-K171 PolarHBondContact O-N 3.35Å
168L94Very high92.9Very high91 Ų91104.6 Ų104.648%0.47652%0.515SS..Hα-helixtrans-62.3-48.2174.3-82.2166.4000111.9L164 K165 Y166 N170 K171 E172L164-L168 HydrophobicContact CG-CD1 4.33Å; L164-L168 WeakPolarHBondContact O-CB 3.36Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.43Å; K165-L168 PolarHBondContact O-N 3.15Å; Y166-L168 VanDerWaalsContact C-N 3.35Å; Y166-L168 PolarHBondContact O-N 3.44Å; L168-N170 VanDerWaalsContact C-N 3.29Å; L168-N170 PolarHBondContact O-N 3.47Å; L168-K171 WeakPolarHBondContact O-CB 2.97Å; L168-K171 PolarHBondContact O-N 2.93Å; L168-K171 VanDerWaalsContact O-N 3.17Å; L168-E172 PolarHBondContact O-N 3.22Å
169V92.9Very high92.9Very high63 Ų63105.9 Ų105.938%0.38252%0.516SS..Hα-helixtrans-62.1-39.2177.2174.30000111.2K165 Y166 E172 R173K165-V169 WeakPolarHBondContact O-CG2 3.23Å; K165-V169 PolarHBondContact O-N 2.96Å; Y166-V169 PolarHBondContact O-N 2.94Å; V169-E172 PolarHBondContact O-N 2.98Å; V169-R173 VanDerWaalsContact O-CG 3.31Å; V169-R173 WeakPolarHBondContact O-CG 3.42Å; V169-R173 PolarHBondContact O-N 3.22Å
170N91.6Very high92.9Very high50 Ų50106.6 Ų106.627%0.26752%0.516SS..Hα-helixtrans-67.2-36.9175.9-80.3-2.1000112.7Y166 L167 L168 R173 A174Y166-N170 WeakPolarHBondContact CE1-ND2 3.12Å; Y166-N170 PolarHBondContact O-N 3.43Å; Y166-N170 PolarHBondContact OH-ND2 3.48Å; L167-N170 PolarHBondContact O-N 3.4Å; L168-N170 VanDerWaalsContact C-N 3.29Å; L168-N170 PolarHBondContact O-N 3.47Å; N170-R173 PolarHBondContact O-N 2.99Å; N170-A174 WeakPolarHBondContact O-CB 3.4Å; N170-A174 PolarHBondContact O-N 2.99Å
171K93.1Very high92.8Very high129 Ų129105.2 Ų105.256%0.56151%0.514SS*.Hα-helixtrans-63.1-49.1173.5-180-178.81721750111.1L167 L168 R173 A174 D175L167-K171 WeakPolarHBondContact O-CB 3.32Å; L167-K171 PolarHBondContact O-N 3.35Å; L168-K171 WeakPolarHBondContact O-CB 2.97Å; L168-K171 PolarHBondContact O-N 2.93Å; L168-K171 VanDerWaalsContact O-N 3.17Å; K171-R173 PolarHBondContact O-N 3.11Å; K171-A174 WeakPolarHBondContact O-CB 3.47Å; K171-A174 PolarHBondContact O-N 3.07Å; K171-D175 WeakPolarHBondContact CE-OD2 3.21Å; K171-D175 VanDerWaalsContact O-CG 3.31Å; K171-D175 PolarHBondContact O-N 3.49Å
172E92.9Very high92.8Very high109 Ų109103.4 Ų103.451%0.50951%0.508SS..Hα-helixtrans-58.3-37.6177.2-71.8175.1-174.800112.2L168 V169 K176L168-E172 PolarHBondContact O-N 3.22Å; V169-E172 PolarHBondContact O-N 2.98Å; E172-K176 WeakPolarHBondContact O-CB 3.49Å; E172-K176 VanDerWaalsContact O-CG 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 3.31Å
173R92.5Very high92.9Very high152 Ų152105.1 Ų105.157%0.57451%0.507SS*.Hα-helixtrans-66.1-44.3173.3-73.1173.5-178.9179.3-1.3112V169 N170 K171 K176 L177V169-R173 VanDerWaalsContact O-CG 3.31Å; V169-R173 WeakPolarHBondContact O-CG 3.42Å; V169-R173 PolarHBondContact O-N 3.22Å; N170-R173 PolarHBondContact O-N 2.99Å; K171-R173 PolarHBondContact O-N 3.11Å; R173-K176 PolarHBondContact O-N 3.49Å; R173-L177 WeakPolarHBondContact O-CD1 3.34Å; R173-L177 PolarHBondContact O-N 3.46Å
174A92.2Very high92.9Very high55 Ų55104.5 Ų104.546%0.45551%0.51SS..Hα-helixtrans-61.8-43.7177.400000111.6N170 K171 K176 L177 Q178N170-A174 WeakPolarHBondContact O-CB 3.4Å; N170-A174 PolarHBondContact O-N 2.99Å; K171-A174 WeakPolarHBondContact O-CB 3.47Å; K171-A174 PolarHBondContact O-N 3.07Å; A174-K176 PolarHBondContact O-N 3.38Å; A174-L177 PolarHBondContact O-N 2.6Å; A174-Q178 WeakPolarHBondContact O-CB 3.36Å; A174-Q178 PolarHBondContact O-N 3.13Å
175D93.9Very high92.8Very high70 Ų70104.6 Ų104.637%0.37451%0.508SS..Hα-helixtrans-63.1-41.4177.5-65.5-18.4000111K171 Q178 N179K171-D175 WeakPolarHBondContact CE-OD2 3.21Å; K171-D175 VanDerWaalsContact O-CG 3.31Å; K171-D175 PolarHBondContact O-N 3.49Å; D175-Q178 PolarHBondContact O-N 3.2Å; D175-N179 VanDerWaalsContact O-CG 3.27Å; D175-N179 PolarHBondContact O-N 3.43Å; D175-N179 PolarHBondContact O-ND2 2.77Å
176K93.7Very high92.8Very high131 Ų131102.2 Ų102.257%0.5750%0.502SS*.Hα-helixtrans-62.5-48.6173.7-74.7174.8-176.5-176.40112.4E172 R173 A174 Q178 N179 E180E172-K176 WeakPolarHBondContact O-CB 3.49Å; E172-K176 VanDerWaalsContact O-CG 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 3.31Å; R173-K176 PolarHBondContact O-N 3.49Å; A174-K176 PolarHBondContact O-N 3.38Å; K176-Q178 VanDerWaalsContact C-N 3.26Å; K176-Q178 PolarHBondContact O-N 3.47Å; K176-N179 PolarHBondContact O-N 2.95Å; K176-E180 WeakPolarHBondContact O-CG 3.4Å; K176-E180 PolarHBondContact O-N 2.76Å
177L92.2Very high92.9Very high110 Ų11098.3 Ų98.358%0.57649%0.492SS*.Hα-helixtrans-62.6-35.3178.3-95.577000111.7R173 A174 L181R173-L177 WeakPolarHBondContact O-CD1 3.34Å; R173-L177 PolarHBondContact O-N 3.46Å; A174-L177 PolarHBondContact O-N 2.6Å; L177-L181 VanDerWaalsContact O-CB 3.29Å; L177-L181 WeakPolarHBondContact O-CB 3.22Å; L177-L181 PolarHBondContact O-N 2.75Å
178Q91.5Very high92.8Very high105 Ų10598 Ų9849%0.49149%0.49SS..Hα-helixtrans-66.9-43.8177-172.8175.1-22.800111.3A174 D175 K176 L181 E182A174-Q178 WeakPolarHBondContact O-CB 3.36Å; A174-Q178 PolarHBondContact O-N 3.13Å; D175-Q178 PolarHBondContact O-N 3.2Å; K176-Q178 VanDerWaalsContact C-N 3.26Å; K176-Q178 PolarHBondContact O-N 3.47Å; Q178-L181 WeakPolarHBondContact O-CB 3.36Å; Q178-L181 PolarHBondContact O-N 3.01Å; Q178-E182 PolarHBondContact NE2-OE1 3.48Å; Q178-E182 WeakPolarHBondContact O-CG 3.46Å; Q178-E182 PolarHBondContact O-N 2.81Å
179N93.6Very high92.8Very high102 Ų10296.3 Ų96.355%0.54549%0.489SS..Hα-helixtrans-63.4-42.9175.4-66.8-17.7000112D175 K176 L181 E182 E183D175-N179 VanDerWaalsContact O-CG 3.27Å; D175-N179 PolarHBondContact O-N 3.43Å; D175-N179 PolarHBondContact O-ND2 2.77Å; K176-N179 PolarHBondContact O-N 2.95Å; N179-L181 VanDerWaalsContact C-N 3.3Å; N179-L181 PolarHBondContact O-N 3.12Å; N179-E182 PolarHBondContact O-N 3.37Å; N179-E183 PolarHBondContact O-N 2.94Å
180E94.1Very high92.8Very high115 Ų11599.3 Ų99.354%0.53750%0.497SS..Hα-helixtrans-61.6-39174.8-72.8172.6-165.900111.5K176 E183 V184K176-E180 WeakPolarHBondContact O-CG 3.4Å; K176-E180 PolarHBondContact O-N 2.76Å; E180-E183 PolarHBondContact O-N 2.9Å; E180-V184 WeakPolarHBondContact O-CB 3.43Å; E180-V184 VanDerWaalsContact O-CG2 3.24Å; E180-V184 WeakPolarHBondContact O-CG2 3.4Å; E180-V184 PolarHBondContact O-N 2.85Å
181L91.4Very high92.8Very high100 Ų100103.3 Ų103.352%0.52452%0.516SS..Hα-helixtrans-65.7-44177-173.472.9000111.7L177 Q178 N179 V184 Q185L177-L181 VanDerWaalsContact O-CB 3.29Å; L177-L181 WeakPolarHBondContact O-CB 3.22Å; L177-L181 PolarHBondContact O-N 2.75Å; Q178-L181 WeakPolarHBondContact O-CB 3.36Å; Q178-L181 PolarHBondContact O-N 3.01Å; N179-L181 VanDerWaalsContact C-N 3.3Å; N179-L181 PolarHBondContact O-N 3.12Å; L181-V184 PolarHBondContact O-N 2.83Å; L181-Q185 WeakPolarHBondContact O-CB 3.25Å; L181-Q185 VanDerWaalsContact O-CG 3.23Å; L181-Q185 WeakPolarHBondContact O-CG 3.36Å; L181-Q185 PolarHBondContact O-N 2.81Å
182E93.4Very high92.7Very high96 Ų96103.8 Ų103.845%0.44952%0.518SS..Hα-helixtrans-61.6-45.2176.1-75.3175.9-16500111Q178 N179 V184 Q185 D186Q178-E182 PolarHBondContact NE2-OE1 3.48Å; Q178-E182 WeakPolarHBondContact O-CG 3.46Å; Q178-E182 PolarHBondContact O-N 2.81Å; N179-E182 PolarHBondContact O-N 3.37Å; E182-V184 PolarHBondContact O-N 3.01Å; E182-Q185 PolarHBondContact O-N 3.44Å; E182-D186 PolarHBondContact O-N 2.8Å
183E93.7Very high92.7Very high125 Ų125104.8 Ų104.858%0.58452%0.522SS*.Hα-helixtrans-62.1-43.4177.2-172.7-179.2176.800112.3N179 E180 D186 N187N179-E183 PolarHBondContact O-N 2.94Å; E180-E183 PolarHBondContact O-N 2.9Å; E183-D186 PolarHBondContact O-N 2.77Å; E183-N187 WeakPolarHBondContact O-CB 3.23Å; E183-N187 VanDerWaalsContact O-CG 3.27Å; E183-N187 PolarHBondContact O-N 2.72Å; E183-N187 PolarHBondContact O-ND2 3.35Å
184V92.6Very high92.7Very high90 Ų9099.9 Ų99.955%0.54552%0.515SS..Hα-helixtrans-66.1-38.5176.8171.10000111.3E180 L181 E182 N187 L188E180-V184 WeakPolarHBondContact O-CB 3.43Å; E180-V184 VanDerWaalsContact O-CG2 3.24Å; E180-V184 WeakPolarHBondContact O-CG2 3.4Å; E180-V184 PolarHBondContact O-N 2.85Å; L181-V184 PolarHBondContact O-N 2.83Å; E182-V184 PolarHBondContact O-N 3.01Å; V184-N187 PolarHBondContact O-N 2.9Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 PolarHBondContact O-N 3.31Å
185Q91.4Very high92.7Very high109 Ų109101 Ų10151%0.50952%0.515SS..Hα-helixtrans-64.7-43.4176.2-77176.63.900111.9L181 E182 L188 A189L181-Q185 WeakPolarHBondContact O-CB 3.25Å; L181-Q185 VanDerWaalsContact O-CG 3.23Å; L181-Q185 WeakPolarHBondContact O-CG 3.36Å; L181-Q185 PolarHBondContact O-N 2.81Å; E182-Q185 PolarHBondContact O-N 3.44Å; Q185-L188 PolarHBondContact O-N 3.48Å; Q185-A189 PolarHBondContact O-N 3.32Å
186D93.5Very high92.6Very high101 Ų101102.5 Ų102.554%0.5452%0.52SS..Hα-helixtrans-63.2-43.5175.6-82.9-2.7000111.7E182 E183 L188 A189 K190E182-D186 PolarHBondContact O-N 2.8Å; E183-D186 PolarHBondContact O-N 2.77Å; D186-L188 VanDerWaalsContact C-N 3.34Å; D186-L188 PolarHBondContact O-N 3.29Å; D186-A189 PolarHBondContact O-N 2.96Å; D186-K190 WeakPolarHBondContact O-CG 3.32Å; D186-K190 PolarHBondContact O-N 2.97Å
187N93.1Very high92.6Very high69 Ų6999.5 Ų99.537%0.36951%0.513SS..Hα-helixtrans-65.2-38.7176.4-73.8-27000111.8E183 V184 K190 M191E183-N187 WeakPolarHBondContact O-CB 3.23Å; E183-N187 VanDerWaalsContact O-CG 3.27Å; E183-N187 PolarHBondContact O-N 2.72Å; E183-N187 PolarHBondContact O-ND2 3.35Å; V184-N187 PolarHBondContact O-N 2.9Å; N187-K190 PolarHBondContact O-N 3Å; N187-M191 WeakPolarHBondContact O-CB 3.46Å; N187-M191 VanDerWaalsContact O-CG 3.24Å; N187-M191 WeakPolarHBondContact O-CG 3.31Å; N187-M191 PolarHBondContact O-N 3.34Å
188L91.7Very high92.5Very high87 Ų8798 Ų9846%0.45551%0.508SS..Hα-helixtrans-66.4-38.1176.2-173.2154.1000111.6V184 Q185 D186 M191 K192V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 PolarHBondContact O-N 3.31Å; Q185-L188 PolarHBondContact O-N 3.48Å; D186-L188 VanDerWaalsContact C-N 3.34Å; D186-L188 PolarHBondContact O-N 3.29Å; L188-M191 PolarHBondContact O-N 2.97Å; L188-K192 HydrophobicContact CD2-CD 3.69Å; L188-K192 HydrophobicContact CD2-CG 4.25Å; L188-K192 WeakPolarHBondContact O-CB 3.48Å; L188-K192 WeakPolarHBondContact O-CG 3.47Å; L188-K192 PolarHBondContact O-N 2.97Å
189A93Very high92.3Very high55 Ų5599.3 Ų99.346%0.45551%0.514SS..Hα-helixtrans-62.9-48.3173.400000111.6Q185 D186 M191 K192 E193Q185-A189 PolarHBondContact O-N 3.32Å; D186-A189 PolarHBondContact O-N 2.96Å; A189-M191 VanDerWaalsContact C-N 3.34Å; A189-M191 PolarHBondContact O-N 2.92Å; A189-K192 PolarHBondContact O-N 3.01Å; A189-E193 PolarHBondContact O-N 3.22Å
190K93.6Very high92.2Very high126 Ų126100.7 Ų100.755%0.54852%0.516SS..Hα-helixtrans-59.1-42.6175.8-69.5169.6-171.9166.80112.4D186 N187 E193 A194D186-K190 WeakPolarHBondContact O-CG 3.32Å; D186-K190 PolarHBondContact O-N 2.97Å; N187-K190 PolarHBondContact O-N 3Å; K190-E193 PolarHBondContact O-N 3.13Å; K190-A194 WeakPolarHBondContact O-CB 3.29Å; K190-A194 PolarHBondContact O-N 3.47Å
191M90.7Very high92.1Very high134 Ų134101.1 Ų101.166%0.6652%0.518SS*.Hα-helixtrans-67.5-39.9178.3-72.2-65.6176.400112N187 L188 A189 A194 V195N187-M191 WeakPolarHBondContact O-CB 3.46Å; N187-M191 VanDerWaalsContact O-CG 3.24Å; N187-M191 WeakPolarHBondContact O-CG 3.31Å; N187-M191 PolarHBondContact O-N 3.34Å; L188-M191 PolarHBondContact O-N 2.97Å; A189-M191 VanDerWaalsContact C-N 3.34Å; A189-M191 PolarHBondContact O-N 2.92Å; M191-A194 PolarHBondContact O-N 3.13Å; M191-V195 VanDerWaalsContact O-CG2 3.29Å; M191-V195 WeakPolarHBondContact O-CG2 3.38Å; M191-V195 PolarHBondContact O-N 2.87Å
192K91.3Very high92Very high138 Ų138100 Ų10060%0.651%0.512SS*.Hα-helixtrans-61.6-43.9174.1-79.5179.3175.6171.10111.9L188 A189 V195 E196L188-K192 HydrophobicContact CD2-CD 3.69Å; L188-K192 HydrophobicContact CD2-CG 4.25Å; L188-K192 WeakPolarHBondContact O-CB 3.48Å; L188-K192 WeakPolarHBondContact O-CG 3.47Å; L188-K192 PolarHBondContact O-N 2.97Å; A189-K192 PolarHBondContact O-N 3.01Å; K192-V195 PolarHBondContact O-N 3.26Å; K192-E196 PolarHBondContact O-N 2.91Å
193E93.6Very high91.8Very high130 Ų13099.3 Ų99.361%0.60751%0.508SS*.Hα-helixtrans-63-43.9176.2-171.8175.6-167.500111.3A189 K190 V195 E196 V197A189-E193 PolarHBondContact O-N 3.22Å; K190-E193 PolarHBondContact O-N 3.13Å; E193-V195 VanDerWaalsContact C-N 3.34Å; E193-V195 PolarHBondContact O-N 3.09Å; E193-E196 PolarHBondContact O-N 3.02Å; E193-V197 WeakPolarHBondContact O-CG2 3.37Å; E193-V197 PolarHBondContact O-N 3.45Å
194A92Very high91.7Very high50 Ų5096.3 Ų96.341%0.41350%0.5SS..Hα-helixtrans-61.5-39.8175.700000112.6K190 M191 T198K190-A194 WeakPolarHBondContact O-CB 3.29Å; K190-A194 PolarHBondContact O-N 3.47Å; M191-A194 PolarHBondContact O-N 3.13Å; A194-T198 WeakPolarHBondContact O-CB 3.49Å; A194-T198 PolarHBondContact O-N 3.34Å; A194-T198 PolarHBondContact O-OG1 3.03Å
195V91.6Very high91.6Very high78 Ų7896.6 Ų96.647%0.47350%0.498SS..Hα-helixtrans-65.1-44.8174.8170.30000110.8M191 K192 E193 V197 T198 E199M191-V195 VanDerWaalsContact O-CG2 3.29Å; M191-V195 WeakPolarHBondContact O-CG2 3.38Å; M191-V195 PolarHBondContact O-N 2.87Å; K192-V195 PolarHBondContact O-N 3.26Å; E193-V195 VanDerWaalsContact C-N 3.34Å; E193-V195 PolarHBondContact O-N 3.09Å; V195-V197 PolarHBondContact O-N 3.34Å; V195-T198 PolarHBondContact O-N 3.3Å; V195-E199 HydrophobicContact CG1-CG 4.35Å; V195-E199 WeakPolarHBondContact O-CB 3.43Å; V195-E199 WeakPolarHBondContact O-CG 3.39Å; V195-E199 PolarHBondContact O-N 3.47Å
196E92.6Very high91.6Very high101 Ų10197.3 Ų97.347%0.47250%0.499SS..Hα-helixtrans-63-41178.6-168.1-171.815400112K192 E193 E199 K200K192-E196 PolarHBondContact O-N 2.91Å; E193-E196 PolarHBondContact O-N 3.02Å; E196-E199 PolarHBondContact O-N 3.32Å; E196-K200 WeakPolarHBondContact O-CG 3.36Å; E196-K200 PolarHBondContact O-N 3.17Å; E196-K200 WeakPolarHBondContact OE1-CE 3.39Å; E196-K200 IonicContact OE1-NZ 3.55Å; E196-K200 PolarHBondContact OE1-NZ 3.01Å
197V93.2Very high91.6Very high69 Ų69100 Ų10042%0.41850%0.502SS..Hα-helixtrans-62.9-46.8174172.60000110.6E193 V195 E199 K200 E201E193-V197 WeakPolarHBondContact O-CG2 3.37Å; E193-V197 PolarHBondContact O-N 3.45Å; V195-V197 PolarHBondContact O-N 3.34Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-E199 PolarHBondContact O-N 2.85Å; V197-K200 WeakPolarHBondContact O-CB 3.21Å; V197-K200 PolarHBondContact O-N 3.09Å; V197-E201 WeakPolarHBondContact O-CG 3.21Å; V197-E201 PolarHBondContact O-N 3.38Å
198T90.2Very high91.6Very high77 Ų77103 Ų10347%0.47251%0.512SS..Hα-helixtrans-62.5-40.4178.6-52.40000111.8A194 V195 K200 E201 L202A194-T198 WeakPolarHBondContact O-CB 3.49Å; A194-T198 PolarHBondContact O-N 3.34Å; A194-T198 PolarHBondContact O-OG1 3.03Å; V195-T198 PolarHBondContact O-N 3.3Å; T198-K200 VanDerWaalsContact C-N 3.35Å; T198-K200 PolarHBondContact O-N 3.11Å; T198-E201 PolarHBondContact O-N 2.78Å; T198-L202 WeakPolarHBondContact O-CB 3.38Å; T198-L202 PolarHBondContact O-N 2.9Å
199E88.9Confident91.7Very high134 Ų134104 Ų10463%0.62652%0.516SS*.Hα-helixtrans-63.3-40175.6-76.9-178.1165.800112V195 E196 V197 E201 L202 E203V195-E199 HydrophobicContact CG1-CG 4.35Å; V195-E199 WeakPolarHBondContact O-CB 3.43Å; V195-E199 WeakPolarHBondContact O-CG 3.39Å; V195-E199 PolarHBondContact O-N 3.47Å; E196-E199 PolarHBondContact O-N 3.32Å; V197-E199 VanDerWaalsContact C-N 3.34Å; V197-E199 PolarHBondContact O-N 2.85Å; E199-E201 VanDerWaalsContact C-N 3.33Å; E199-E201 PolarHBondContact O-N 2.86Å; E199-L202 PolarHBondContact O-N 3.43Å; E199-E203 PolarHBondContact O-N 3.48Å
200K90.7Very high91.7Very high131 Ų131105.8 Ų105.857%0.5752%0.518SS*.Hα-helixtrans-64-35.7173.4-74.7173-173.8163.50112.5E196 V197 T198 P204E196-K200 WeakPolarHBondContact O-CG 3.36Å; E196-K200 PolarHBondContact O-N 3.17Å; E196-K200 WeakPolarHBondContact OE1-CE 3.39Å; E196-K200 IonicContact OE1-NZ 3.55Å; E196-K200 PolarHBondContact OE1-NZ 3.01Å; V197-K200 WeakPolarHBondContact O-CB 3.21Å; V197-K200 PolarHBondContact O-N 3.09Å; T198-K200 VanDerWaalsContact C-N 3.35Å; T198-K200 PolarHBondContact O-N 3.11Å; K200-P204 WeakPolarHBondContact O-CD 3.33Å
201E91.6Very high91.7Very high124 Ų124104.7 Ų104.758%0.57952%0.518SS*.Hα-helixtrans-73.9-26.8175-70.5-177.3172.700113.1V197 T198 E199 P204V197-E201 WeakPolarHBondContact O-CG 3.21Å; V197-E201 PolarHBondContact O-N 3.38Å; T198-E201 PolarHBondContact O-N 2.78Å; E199-E201 VanDerWaalsContact C-N 3.33Å; E199-E201 PolarHBondContact O-N 2.86Å; E201-P204 VanDerWaalsContact O-CD 3.27Å; E201-P204 WeakPolarHBondContact O-CD 3.41Å; E201-P204 VanDerWaalsContact O-CG 3.23Å; E201-P204 WeakPolarHBondContact O-CG 3.4Å
202L89.7Confident91.9Very high77 Ų77104.2 Ų104.240%0.40352%0.518SS..Hα-helixtrans-80.6-27.5-178.9-157.4133000112.9T198 E199 L205 K206T198-L202 WeakPolarHBondContact O-CB 3.38Å; T198-L202 PolarHBondContact O-N 2.9Å; E199-L202 PolarHBondContact O-N 3.43Å; L202-L205 PolarHBondContact O-N 3.33Å; L202-K206 HydrophobicContact CD2-CD 3.73Å; L202-K206 HydrophobicContact CD2-CG 3.98Å; L202-K206 PolarHBondContact O-N 3.37Å
203E89.5Confident92Very high80 Ų80100.5 Ų100.537%0.37451%0.507SS..Hα-helixtrans-57.6-50.6175-178.159.3-159.900114.2E199 L205 K206 R207E199-E203 PolarHBondContact O-N 3.48Å; E203-L205 VanDerWaalsContact C-N 3.29Å; E203-L205 PolarHBondContact O-N 3.15Å; E203-K206 PolarHBondContact O-N 2.74Å; E203-R207 WeakPolarHBondContact O-CG 3.39Å; E203-R207 PolarHBondContact O-N 2.89Å; E203-R207 IonicContact OE1-CZ 3.88Å; E203-R207 IonicContact OE1-NE 3.39Å; E203-R207 PolarHBondContact OE1-NE 3.5Å; E203-R207 IonicContact OE1-NH2 3.84Å; E203-R207 PolarHBondContact OE1-NH2 2.82Å
204P91.7Very high92Very high62 Ų6297.5 Ų97.540%0.40349%0.494SS..Hα-helixtrans-66.9-29.8175.926.9-35.4000112.5K200 E201 R207 K208K200-P204 WeakPolarHBondContact O-CD 3.33Å; E201-P204 VanDerWaalsContact O-CD 3.27Å; E201-P204 WeakPolarHBondContact O-CD 3.41Å; E201-P204 VanDerWaalsContact O-CG 3.23Å; E201-P204 WeakPolarHBondContact O-CG 3.4Å; P204-R207 PolarHBondContact O-N 3.43Å; P204-K208 WeakPolarHBondContact O-CB 3.27Å; P204-K208 VanDerWaalsContact O-CG 3.32Å; P204-K208 WeakPolarHBondContact O-CG 3.37Å; P204-K208 PolarHBondContact O-N 3.05Å
205L90.6Very high92Very high97 Ų9797.8 Ų97.851%0.50849%0.493SS..Hα-helixtrans-67-45.3174-73.1169.3000111.2L202 E203 R207 K208 I209L202-L205 PolarHBondContact O-N 3.33Å; E203-L205 VanDerWaalsContact C-N 3.29Å; E203-L205 PolarHBondContact O-N 3.15Å; L205-R207 VanDerWaalsContact C-N 3.31Å; L205-R207 PolarHBondContact O-N 3.37Å; L205-K208 PolarHBondContact O-N 3.45Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.49Å
206K91.4Very high92.1Very high124 Ų124101.7 Ų101.754%0.53950%0.499SS..Hα-helixtrans-57-44.1172.6-79.2173.3170161.60111.8L202 E203 I209 N210L202-K206 HydrophobicContact CD2-CD 3.73Å; L202-K206 HydrophobicContact CD2-CG 3.98Å; L202-K206 PolarHBondContact O-N 3.37Å; E203-K206 PolarHBondContact O-N 2.74Å; K206-I209 PolarHBondContact O-N 2.93Å; K206-N210 PolarHBondContact O-N 3.46Å
207R92.1Very high92.1Very high156 Ų156102.2 Ų102.259%0.58950%0.502SS*.Hα-helixtrans-63-42.8175.5-68.8178.7-166.5-172.14.3112.4E203 P204 L205 N210 N211E203-R207 WeakPolarHBondContact O-CG 3.39Å; E203-R207 PolarHBondContact O-N 2.89Å; E203-R207 IonicContact OE1-CZ 3.88Å; E203-R207 IonicContact OE1-NE 3.39Å; E203-R207 PolarHBondContact OE1-NE 3.5Å; E203-R207 IonicContact OE1-NH2 3.84Å; E203-R207 PolarHBondContact OE1-NH2 2.82Å; P204-R207 PolarHBondContact O-N 3.43Å; L205-R207 VanDerWaalsContact C-N 3.31Å; L205-R207 PolarHBondContact O-N 3.37Å; R207-N210 PolarHBondContact O-N 2.88Å; R207-N211 WeakPolarHBondContact O-CB 3.4Å; R207-N211 VanDerWaalsContact O-CG 3.23Å; R207-N211 PolarHBondContact O-N 3.36Å; R207-N211 PolarHBondContact O-ND2 2.87Å
208K93.8Very high92.2Very high133 Ų133105.2 Ų105.258%0.57851%0.51SS*.Hα-helixtrans-61.7-44.1175.6-77.9176.6-177.6179.30111.5P204 L205 N211 L212P204-K208 WeakPolarHBondContact O-CB 3.27Å; P204-K208 VanDerWaalsContact O-CG 3.32Å; P204-K208 WeakPolarHBondContact O-CG 3.37Å; P204-K208 PolarHBondContact O-N 3.05Å; L205-K208 PolarHBondContact O-N 3.45Å; K208-N211 PolarHBondContact O-N 3.03Å; K208-L212 WeakPolarHBondContact O-CB 3.31Å; K208-L212 VanDerWaalsContact O-CG 3.3Å; K208-L212 WeakPolarHBondContact O-CG 3.35Å; K208-L212 PolarHBondContact O-N 3.29Å
209I93.5Very high92.3Very high107 Ų107106.2 Ų106.255%0.54951%0.511SS..Hα-helixtrans-60.3-49.3176.4-69.5168.4000110.1L205 K206 N211 L212 T213L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.49Å; K206-I209 PolarHBondContact O-N 2.93Å; I209-N211 VanDerWaalsContact C-N 3.31Å; I209-N211 PolarHBondContact O-N 3.31Å; I209-L212 WeakPolarHBondContact O-CB 3.47Å; I209-L212 PolarHBondContact O-N 3.01Å; I209-L212 VanDerWaalsContact O-N 3.09Å; I209-T213 PolarHBondContact O-N 2.96Å; I209-T213 PolarHBondContact O-OG1 3.12Å; I209-T213 VanDerWaalsContact O-OG1 3.06Å
210N93.5Very high92.4Very high94 Ų94102.8 Ų102.850%0.50350%0.497SS..Hα-helixtrans-60.5-41179.2-166.241.5000112.3K206 R207 L212 T213 I214K206-N210 PolarHBondContact O-N 3.46Å; R207-N210 PolarHBondContact O-N 2.88Å; N210-L212 PolarHBondContact O-N 2.97Å; N210-T213 PolarHBondContact O-N 2.92Å; N210-I214 WeakPolarHBondContact O-CG1 3.42Å; N210-I214 PolarHBondContact O-N 3.48Å
211N94.2Very high92.6Very high103 Ų103100.7 Ų100.755%0.55149%0.492SS*.Hα-helixtrans-64.3-38.9175-71.5-14.5000112.4R207 K208 I209 S215R207-N211 WeakPolarHBondContact O-CB 3.4Å; R207-N211 VanDerWaalsContact O-CG 3.23Å; R207-N211 PolarHBondContact O-N 3.36Å; R207-N211 PolarHBondContact O-ND2 2.87Å; K208-N211 PolarHBondContact O-N 3.03Å; I209-N211 VanDerWaalsContact C-N 3.31Å; I209-N211 PolarHBondContact O-N 3.31Å; N211-S215 WeakPolarHBondContact O-CB 3.26Å; N211-S215 PolarHBondContact O-N 2.92Å
212L94.1Very high92.7Very high123 Ų12399.4 Ų99.464%0.64449%0.488SS*.Hα-helixtrans-66.4-38.5174.7-73.5171.1000111.5K208 I209 N210 S215 W216K208-L212 WeakPolarHBondContact O-CB 3.31Å; K208-L212 VanDerWaalsContact O-CG 3.3Å; K208-L212 WeakPolarHBondContact O-CG 3.35Å; K208-L212 PolarHBondContact O-N 3.29Å; I209-L212 WeakPolarHBondContact O-CB 3.47Å; I209-L212 PolarHBondContact O-N 3.01Å; I209-L212 VanDerWaalsContact O-N 3.09Å; N210-L212 PolarHBondContact O-N 2.97Å; L212-S215 WeakPolarHBondContact O-CB 3.29Å; L212-S215 PolarHBondContact O-N 3.49Å; L212-W216 VanDerWaalsContact O-CB 3.3Å; L212-W216 WeakPolarHBondContact O-CB 3.32Å; L212-W216 PolarHBondContact O-N 3.42Å
213T93.1Very high92.9Very high61 Ų61102 Ų10237%0.37450%0.496SS..Hα-helixtrans-62-49.4174.7-55.90000111.3I209 N210 S215 W216 E217I209-T213 PolarHBondContact O-N 2.96Å; I209-T213 PolarHBondContact O-OG1 3.12Å; I209-T213 VanDerWaalsContact O-OG1 3.06Å; N210-T213 PolarHBondContact O-N 2.92Å; T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 PolarHBondContact O-N 3.25Å; T213-W216 WeakPolarHBondContact O-CB 3.4Å; T213-W216 PolarHBondContact O-N 3.47Å; T213-W216 VanDerWaalsContact O-N 3.12Å; T213-E217 WeakPolarHBondContact O-CG 3.38Å; T213-E217 PolarHBondContact O-N 3.37Å
214I94.7Very high92.9Very high67 Ų6799.4 Ų99.434%0.34449%0.49SS..Hα-helixtrans-60.9-39.2176.3-66.1165.4000111N210 K218N210-I214 WeakPolarHBondContact O-CG1 3.42Å; N210-I214 PolarHBondContact O-N 3.48Å; I214-K218 WeakPolarHBondContact O-CG 3.11Å; I214-K218 PolarHBondContact O-N 3.34Å; I214-K218 VanDerWaalsContact O-N 3.15Å
215S92.4Very high93Very high56 Ų56101.1 Ų101.139%0.39249%0.493SS..Hα-helixtrans-64.5-42.7175.4-170.90000111.7N211 L212 T213 K218 I219N211-S215 WeakPolarHBondContact O-CB 3.26Å; N211-S215 PolarHBondContact O-N 2.92Å; L212-S215 WeakPolarHBondContact O-CB 3.29Å; L212-S215 PolarHBondContact O-N 3.49Å; T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 PolarHBondContact O-N 3.25Å; S215-K218 WeakPolarHBondContact O-CB 3.47Å; S215-K218 PolarHBondContact O-N 3.04Å; S215-I219 WeakPolarHBondContact O-CG1 3.29Å; S215-I219 PolarHBondContact O-N 3.41Å
216W92.4Very high93.1Very high159 Ų15999.5 Ų99.560%0.60249%0.487SS*.Hα-helixtrans-64.9-39.8178.1-175.783.6000112.3L212 T213 K218 I219 N220L212-W216 VanDerWaalsContact O-CB 3.3Å; L212-W216 WeakPolarHBondContact O-CB 3.32Å; L212-W216 PolarHBondContact O-N 3.42Å; T213-W216 WeakPolarHBondContact O-CB 3.4Å; T213-W216 PolarHBondContact O-N 3.47Å; T213-W216 VanDerWaalsContact O-N 3.12Å; W216-K218 PolarHBondContact O-N 3.3Å; W216-I219 PolarHBondContact O-N 2.92Å; W216-N220 VanDerWaalsContact CE2-ND2 3.3Å; W216-N220 WeakPolarHBondContact CH2-ND2 3.49Å; W216-N220 WeakPolarHBondContact CZ2-ND2 3.45Å; W216-N220 WeakPolarHBondContact CZ3-ND2 3.03Å; W216-N220 PolarHBondContact O-N 3.49Å
217E92.7Very high93.1Very high112 Ų11297.6 Ų97.652%0.52348%0.48SS..Hα-helixtrans-59.7-44172.5-72.8172.8176.700111.7T213 N220 D221T213-E217 WeakPolarHBondContact O-CG 3.38Å; T213-E217 PolarHBondContact O-N 3.37Å; E217-N220 PolarHBondContact O-N 3.34Å; E217-D221 PolarHBondContact O-N 3.12Å
218K94.8Very high93.1Very high133 Ų13397.1 Ų97.158%0.57848%0.478SS*.Hα-helixtrans-62.8-41.5174.6-70.1173.5-178.2-179.60112.4I214 S215 W216 N220 D221 I222I214-K218 WeakPolarHBondContact O-CG 3.11Å; I214-K218 PolarHBondContact O-N 3.34Å; I214-K218 VanDerWaalsContact O-N 3.15Å; S215-K218 WeakPolarHBondContact O-CB 3.47Å; S215-K218 PolarHBondContact O-N 3.04Å; W216-K218 PolarHBondContact O-N 3.3Å; K218-N220 VanDerWaalsContact C-N 3.32Å; K218-D221 PolarHBondContact O-N 3.48Å; K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 3.07Å
219I93.5Very high93Very high97 Ų9793.7 Ų93.750%0.49747%0.474SS..Hα-helixtrans-62.7-41.9176.7-70.7167.2000110.4S215 W216 I222 K223S215-I219 WeakPolarHBondContact O-CG1 3.29Å; S215-I219 PolarHBondContact O-N 3.41Å; W216-I219 PolarHBondContact O-N 2.92Å; I219-I222 PolarHBondContact O-N 2.82Å; I219-K223 VanDerWaalsContact O-CB 3.3Å; I219-K223 WeakPolarHBondContact O-CB 3.4Å; I219-K223 PolarHBondContact O-N 3.19Å
220N91.5Very high92.9Very high63 Ų6394 Ų9434%0.33747%0.472SS..Hα-helixtrans-66.4-38.4177.3-80.6-17.7000112.6W216 E217 K218 K223 G224W216-N220 VanDerWaalsContact CE2-ND2 3.3Å; W216-N220 WeakPolarHBondContact CH2-ND2 3.49Å; W216-N220 WeakPolarHBondContact CZ2-ND2 3.45Å; W216-N220 WeakPolarHBondContact CZ3-ND2 3.03Å; W216-N220 PolarHBondContact O-N 3.49Å; E217-N220 PolarHBondContact O-N 3.34Å; K218-N220 VanDerWaalsContact C-N 3.32Å; N220-K223 PolarHBondContact O-N 2.95Å; N220-G224 PolarHBondContact O-N 3.02Å
221D93.8Very high92.8Very high87 Ų8794.6 Ų94.647%0.46548%0.475SS..Hα-helixtrans-63.1-47.8173.8-176.660.5000111.5E217 K218 K223 G224 Q225E217-D221 PolarHBondContact O-N 3.12Å; K218-D221 PolarHBondContact O-N 3.48Å; D221-K223 VanDerWaalsContact C-N 3.33Å; D221-K223 PolarHBondContact O-N 3.16Å; D221-G224 CarbonylContact O-C 3.57Å; D221-G224 WeakPolarHBondContact O-CA 3.46Å; D221-G224 PolarHBondContact O-N 3.15Å; D221-G224 VanDerWaalsContact O-N 3.11Å; D221-Q225 WeakPolarHBondContact O-CG 3.28Å; D221-Q225 PolarHBondContact O-N 3.36Å; D221-Q225 PolarHBondContact OD2-NE2 3.44Å
222I93.7Very high92.6Very high97 Ų9792.3 Ų92.350%0.49747%0.466SS..Hα-helixtrans-59.9-44175.6-69.5163.3000110.7K218 I219 G224 Q225 V226K218-I222 WeakPolarHBondContact O-CG1 3.32Å; K218-I222 PolarHBondContact O-N 3.07Å; I219-I222 PolarHBondContact O-N 2.82Å; I222-G224 VanDerWaalsContact C-N 3.28Å; I222-G224 PolarHBondContact O-N 3.06Å; I222-Q225 WeakPolarHBondContact O-CB 3.41Å; I222-Q225 PolarHBondContact O-N 2.99Å; I222-Q225 VanDerWaalsContact O-N 3.11Å; I222-V226 HydrophobicContact CG2-CG2 4.25Å; I222-V226 WeakPolarHBondContact O-CG2 3.35Å; I222-V226 PolarHBondContact O-N 3.37Å
223K93.4Very high92.5Very high132 Ų13291.2 Ų91.257%0.57446%0.461SS*.Hα-helixtrans-59.4-42.4176.2-171.9178.4179.1-177.90110.7I219 N220 D221 Q225 V226 E227I219-K223 VanDerWaalsContact O-CB 3.3Å; I219-K223 WeakPolarHBondContact O-CB 3.4Å; I219-K223 PolarHBondContact O-N 3.19Å; N220-K223 PolarHBondContact O-N 2.95Å; D221-K223 VanDerWaalsContact C-N 3.33Å; D221-K223 PolarHBondContact O-N 3.16Å; K223-Q225 PolarHBondContact O-N 3.16Å; K223-V226 PolarHBondContact O-N 3.12Å; K223-E227 WeakPolarHBondContact O-CG 3.5Å; K223-E227 PolarHBondContact O-N 3.13Å
224G90.4Very high92.4Very high24 Ų2494 Ų9425%0.24747%0.468CS..Hα-helixtrans-61.3-40.5173.400000113.2N220 D221 I222 R228N220-G224 PolarHBondContact O-N 3.02Å; D221-G224 CarbonylContact O-C 3.57Å; D221-G224 WeakPolarHBondContact O-CA 3.46Å; D221-G224 PolarHBondContact O-N 3.15Å; D221-G224 VanDerWaalsContact O-N 3.11Å; I222-G224 VanDerWaalsContact C-N 3.28Å; I222-G224 PolarHBondContact O-N 3.06Å; G224-R228 WeakPolarHBondContact O-CG 3.48Å; G224-R228 PolarHBondContact O-N 2.98Å; G224-R228 VanDerWaalsContact O-N 3.09Å; G224-R228 PolarHBondContact O-NH1 2.98Å
225Q93.6Very high92.3Very high99 Ų9995.4 Ų95.446%0.46348%0.475SS..Hα-helixtrans-64.8-43.3174.4-67.2179.127.700111.9D221 I222 K223 R228 A229D221-Q225 WeakPolarHBondContact O-CG 3.28Å; D221-Q225 PolarHBondContact O-N 3.36Å; D221-Q225 PolarHBondContact OD2-NE2 3.44Å; I222-Q225 WeakPolarHBondContact O-CB 3.41Å; I222-Q225 PolarHBondContact O-N 2.99Å; I222-Q225 VanDerWaalsContact O-N 3.11Å; K223-Q225 PolarHBondContact O-N 3.16Å; Q225-R228 VanDerWaalsContact CG-NH2 3.28Å; Q225-R228 PolarHBondContact O-N 3.13Å; Q225-A229 WeakPolarHBondContact O-CB 3.39Å; Q225-A229 PolarHBondContact O-N 2.87Å
226V92.2Very high92Very high63 Ų6398.1 Ų98.138%0.38248%0.481SS..Hα-helixtrans-63.4-43.6178169.40000111.1I222 K223 A229 K230I222-V226 HydrophobicContact CG2-CG2 4.25Å; I222-V226 WeakPolarHBondContact O-CG2 3.35Å; I222-V226 PolarHBondContact O-N 3.37Å; K223-V226 PolarHBondContact O-N 3.12Å; V226-A229 PolarHBondContact O-N 3.42Å; V226-K230 HydrophobicContact CG1-CD 4.17Å; V226-K230 HydrophobicContact CG1-CG 4.39Å; V226-K230 WeakPolarHBondContact O-CB 3.39Å; V226-K230 WeakPolarHBondContact O-CG 3.27Å; V226-K230 PolarHBondContact O-N 3.48Å
227E91.5Very high91.8Very high84 Ų8495.8 Ų95.839%0.39348%0.477SS..Hα-helixtrans-66-38.1177.6-68.2-54.7124.300111.9K223 K230 L231K223-E227 WeakPolarHBondContact O-CG 3.5Å; K223-E227 PolarHBondContact O-N 3.13Å; E227-K230 PolarHBondContact O-N 3.04Å; E227-K230 IonicContact OE1-NZ 3.08Å; E227-K230 PolarHBondContact OE1-NZ 3.47Å; E227-L231 WeakPolarHBondContact O-CB 3.29Å; E227-L231 VanDerWaalsContact O-CG 3.32Å; E227-L231 WeakPolarHBondContact O-CG 3.36Å; E227-L231 PolarHBondContact O-N 2.87Å
228R92.3Very high91.5Very high146 Ų14695.3 Ų95.355%0.55148%0.475SS*.Hα-helixtrans-62.5-44.6171.3-74.5-172.9-65.9-927112.2G224 Q225 L231 S232G224-R228 WeakPolarHBondContact O-CG 3.48Å; G224-R228 PolarHBondContact O-N 2.98Å; G224-R228 VanDerWaalsContact O-N 3.09Å; G224-R228 PolarHBondContact O-NH1 2.98Å; Q225-R228 VanDerWaalsContact CG-NH2 3.28Å; Q225-R228 PolarHBondContact O-N 3.13Å; R228-L231 PolarHBondContact O-N 3.31Å; R228-S232 WeakPolarHBondContact O-CB 3.47Å; R228-S232 PolarHBondContact O-N 3.46Å
229A92.2Very high91Very high60 Ų6091.2 Ų91.250%0.49646%0.463SS..Hα-helixtrans-64.9-41178.900000111.7Q225 V226 S232 L233Q225-A229 WeakPolarHBondContact O-CB 3.39Å; Q225-A229 PolarHBondContact O-N 2.87Å; V226-A229 PolarHBondContact O-N 3.42Å; A229-S232 PolarHBondContact O-N 2.91Å; A229-L233 WeakPolarHBondContact O-CB 3.37Å; A229-L233 PolarHBondContact O-N 3.42Å
230K92.2Very high90.5Very high114 Ų11491.3 Ų91.350%0.49647%0.468SS..Hα-helixtrans-63.2-43.9174.2-75.5175.5-175.8168.70112.4V226 E227 S232 L233 K234V226-K230 HydrophobicContact CG1-CD 4.17Å; V226-K230 HydrophobicContact CG1-CG 4.39Å; V226-K230 WeakPolarHBondContact O-CB 3.39Å; V226-K230 WeakPolarHBondContact O-CG 3.27Å; V226-K230 PolarHBondContact O-N 3.48Å; E227-K230 PolarHBondContact O-N 3.04Å; E227-K230 IonicContact OE1-NZ 3.08Å; E227-K230 PolarHBondContact OE1-NZ 3.47Å; K230-S232 VanDerWaalsContact C-N 3.33Å; K230-L233 PolarHBondContact O-N 3.06Å; K230-K234 WeakPolarHBondContact O-CB 3.32Å; K230-K234 PolarHBondContact O-N 3.26Å
231L89.5Confident90.2Very high107 Ų10794.1 Ų94.156%0.5648%0.479SS*.Hα-helixtrans-61.9-43.2175.2-75.1167.6000110.9E227 R228 K234 I235E227-L231 WeakPolarHBondContact O-CB 3.29Å; E227-L231 VanDerWaalsContact O-CG 3.32Å; E227-L231 WeakPolarHBondContact O-CG 3.36Å; E227-L231 PolarHBondContact O-N 2.87Å; R228-L231 PolarHBondContact O-N 3.31Å; L231-K234 PolarHBondContact O-N 2.89Å; L231-I235 WeakPolarHBondContact O-CD1 3.42Å; L231-I235 VanDerWaalsContact O-CG1 3.22Å; L231-I235 WeakPolarHBondContact O-CG1 3.45Å; L231-I235 PolarHBondContact O-N 2.96Å
232S90.5Very high89.6Confident54 Ų5492.9 Ų92.938%0.37848%0.477SS..Hα-helixtrans-62.5-44.6175.3-1600000111.9R228 A229 K230 I235 H236R228-S232 WeakPolarHBondContact O-CB 3.47Å; R228-S232 PolarHBondContact O-N 3.46Å; A229-S232 PolarHBondContact O-N 2.91Å; K230-S232 VanDerWaalsContact C-N 3.33Å; S232-I235 PolarHBondContact O-N 2.82Å; S232-H236 WeakPolarHBondContact O-CB 3.32Å; S232-H236 PolarHBondContact O-CD2 3.3Å; S232-H236 VanDerWaalsContact O-CG 3.28Å; S232-H236 PolarHBondContact O-N 3.24Å; S232-H236 PolarHBondContact OG-NE2 3.42Å
233L91.9Very high88.9Confident101 Ų10193.1 Ų93.153%0.52948%0.478SS..Hα-helixtrans-58.1-50176.4-171.792.5000110.2A229 K230 I235 H236 E237A229-L233 WeakPolarHBondContact O-CB 3.37Å; A229-L233 PolarHBondContact O-N 3.42Å; K230-L233 PolarHBondContact O-N 3.06Å; L233-I235 PolarHBondContact O-N 3.25Å; L233-H236 CarbonylContact O-C 3.59Å; L233-H236 PolarHBondContact O-N 3.08Å; L233-H236 VanDerWaalsContact O-N 3.13Å; L233-E237 WeakPolarHBondContact CD2-OE1 3.48Å; L233-E237 HydrophobicContact CG-CG 4.4Å; L233-E237 WeakPolarHBondContact O-CB 3.33Å; L233-E237 WeakPolarHBondContact O-CG 3.46Å; L233-E237 PolarHBondContact O-N 2.93Å
234K92.3Very high88.2Confident120 Ų12089 Ų8952%0.52247%0.466SS..Hα-helixtrans-60.3-43.9179.2-172.3178.4176.9-173.50112.2K230 L231 H236 E237 E238K230-K234 WeakPolarHBondContact O-CB 3.32Å; K230-K234 PolarHBondContact O-N 3.26Å; L231-K234 PolarHBondContact O-N 2.89Å; K234-H236 VanDerWaalsContact C-N 3.33Å; K234-H236 PolarHBondContact O-N 3.33Å; K234-E237 PolarHBondContact O-N 3.34Å; K234-E238 WeakPolarHBondContact CE-OE1 3.47Å; K234-E238 IonicContact NZ-OE1 2.93Å; K234-E238 WeakPolarHBondContact O-CB 3.25Å; K234-E238 WeakPolarHBondContact O-CG 3.46Å; K234-E238 PolarHBondContact O-N 3.34Å
235I90.6Very high87.7Confident95 Ų9593.8 Ų93.849%0.48749%0.486SS..Hα-helixtrans-62.3-41.5175.7-69164.4000110.9L231 S232 L233 S239L231-I235 WeakPolarHBondContact O-CD1 3.42Å; L231-I235 VanDerWaalsContact O-CG1 3.22Å; L231-I235 WeakPolarHBondContact O-CG1 3.45Å; L231-I235 PolarHBondContact O-N 2.96Å; S232-I235 PolarHBondContact O-N 2.82Å; L233-I235 PolarHBondContact O-N 3.25Å; I235-S239 WeakPolarHBondContact O-CB 3.38Å; I235-S239 PolarHBondContact O-N 2.91Å; I235-S239 PolarHBondContact O-OG 2.69Å
236H88Confident87Confident113 Ų11394.4 Ų94.452%0.52350%0.497SS..Hα-helixtrans-69.1-38.6177.1-70.2-49.4000112.3S232 L233 K234 S239 V240S232-H236 WeakPolarHBondContact O-CB 3.32Å; S232-H236 PolarHBondContact O-CD2 3.3Å; S232-H236 VanDerWaalsContact O-CG 3.28Å; S232-H236 PolarHBondContact O-N 3.24Å; S232-H236 PolarHBondContact OG-NE2 3.42Å; L233-H236 CarbonylContact O-C 3.59Å; L233-H236 PolarHBondContact O-N 3.08Å; L233-H236 VanDerWaalsContact O-N 3.13Å; K234-H236 VanDerWaalsContact C-N 3.33Å; K234-H236 PolarHBondContact O-N 3.33Å; H236-S239 WeakPolarHBondContact O-CB 3.48Å; H236-S239 PolarHBondContact O-N 3.32Å; H236-V240 WeakPolarHBondContact O-CB 3.3Å; H236-V240 VanDerWaalsContact O-CG2 3.26Å; H236-V240 WeakPolarHBondContact O-CG2 3.38Å; H236-V240 PolarHBondContact O-N 3.25Å
237E87.6Confident86.1Confident111 Ų11195.4 Ų95.452%0.51950%0.499SS..Hα-helixtrans-62.2-48.2174-75171.916600110.9L233 K234 S239 V240 E241L233-E237 WeakPolarHBondContact CD2-OE1 3.48Å; L233-E237 HydrophobicContact CG-CG 4.4Å; L233-E237 WeakPolarHBondContact O-CB 3.33Å; L233-E237 WeakPolarHBondContact O-CG 3.46Å; L233-E237 PolarHBondContact O-N 2.93Å; K234-E237 PolarHBondContact O-N 3.34Å; E237-S239 VanDerWaalsContact C-N 3.28Å; E237-S239 PolarHBondContact O-N 2.9Å; E237-V240 PolarHBondContact O-N 3.42Å; E237-E241 WeakPolarHBondContact O-CB 3.44Å; E237-E241 PolarHBondContact O-N 2.92Å
238E87Confident84.8Confident101 Ų10199.9 Ų99.947%0.47252%0.52SS..Hα-helixtrans-60.7-38.2174.5-72.6172.8-177.200111.5K234 S242K234-E238 WeakPolarHBondContact CE-OE1 3.47Å; K234-E238 IonicContact NZ-OE1 2.93Å; K234-E238 WeakPolarHBondContact O-CB 3.25Å; K234-E238 WeakPolarHBondContact O-CG 3.46Å; K234-E238 PolarHBondContact O-N 3.34Å; E238-S242 WeakPolarHBondContact O-CB 3.25Å; E238-S242 PolarHBondContact O-N 3.49Å; E238-S242 PolarHBondContact O-OG 2.9Å
239S83.8Confident83.5Confident48 Ų48101 Ų10134%0.33653%0.531SS..Hα-helixtrans-66-45.9175.3-59.10000111.5I235 H236 E237 S242 I243I235-S239 WeakPolarHBondContact O-CB 3.38Å; I235-S239 PolarHBondContact O-N 2.91Å; I235-S239 PolarHBondContact O-OG 2.69Å; H236-S239 WeakPolarHBondContact O-CB 3.48Å; H236-S239 PolarHBondContact O-N 3.32Å; E237-S239 VanDerWaalsContact C-N 3.28Å; E237-S239 PolarHBondContact O-N 2.9Å; S239-S242 PolarHBondContact O-N 3.48Å; S239-S242 PolarHBondContact O-OG 3.43Å; S239-I243 WeakPolarHBondContact O-CB 3.49Å; S239-I243 WeakPolarHBondContact O-CD1 3.49Å; S239-I243 VanDerWaalsContact O-CG1 3.22Å; S239-I243 WeakPolarHBondContact O-CG1 3.26Å; S239-I243 PolarHBondContact O-N 3.45Å
240V83.6Confident82Confident98 Ų98103.9 Ų103.959%0.59453%0.534SS*.Hα-helixtrans-63-42.8176.7168.30000110.8H236 E237 I243 S244H236-V240 WeakPolarHBondContact O-CB 3.3Å; H236-V240 VanDerWaalsContact O-CG2 3.26Å; H236-V240 WeakPolarHBondContact O-CG2 3.38Å; H236-V240 PolarHBondContact O-N 3.25Å; E237-V240 PolarHBondContact O-N 3.42Å; V240-I243 PolarHBondContact O-N 3.48Å; V240-S244 WeakPolarHBondContact O-CB 3.48Å; V240-S244 PolarHBondContact O-N 2.92Å
241E83.3Confident80.7Confident122 Ų122102.2 Ų102.257%0.5753%0.527SS*.Hα-helixtrans-63.5-44.7177.1-172.6175.7-16800111.3E237 I243 S244 N245E237-E241 WeakPolarHBondContact O-CB 3.44Å; E237-E241 PolarHBondContact O-N 2.92Å; E241-I243 PolarHBondContact O-N 3.42Å; E241-S244 PolarHBondContact O-N 2.92Å; E241-N245 WeakPolarHBondContact O-CB 3.15Å; E241-N245 VanDerWaalsContact O-CG 3.29Å; E241-N245 PolarHBondContact O-N 3.26Å; E241-N245 PolarHBondContact O-ND2 3.36Å
242S81Confident79.7Confident62 Ų62103.5 Ų103.543%0.43454%0.542SS..Hα-helixtrans-63.4-40.8176.972.50000112.9E238 S239 T246E238-S242 WeakPolarHBondContact O-CB 3.25Å; E238-S242 PolarHBondContact O-N 3.49Å; E238-S242 PolarHBondContact O-OG 2.9Å; S239-S242 PolarHBondContact O-N 3.48Å; S239-S242 PolarHBondContact O-OG 3.43Å; S242-T246 WeakPolarHBondContact O-CB 3.36Å; S242-T246 PolarHBondContact O-N 3.16Å; S242-T246 VanDerWaalsContact O-N 3.13Å; S242-T246 PolarHBondContact O-OG1 3.33Å
243I80.3Confident78.9Confident101 Ų101102.3 Ų102.352%0.51854%0.538SS..Hα-helixtrans-67.9-45.2176-68.5166.6000110S239 V240 E241 N245 T246 I247S239-I243 WeakPolarHBondContact O-CB 3.49Å; S239-I243 WeakPolarHBondContact O-CD1 3.49Å; S239-I243 VanDerWaalsContact O-CG1 3.22Å; S239-I243 WeakPolarHBondContact O-CG1 3.26Å; S239-I243 PolarHBondContact O-N 3.45Å; V240-I243 PolarHBondContact O-N 3.48Å; E241-I243 PolarHBondContact O-N 3.42Å; I243-N245 VanDerWaalsContact C-N 3.32Å; I243-N245 PolarHBondContact O-N 3.06Å; I243-T246 PolarHBondContact O-N 2.87Å; I243-T246 VanDerWaalsContact O-N 3.09Å; I243-I247 HydrophobicContact CG2-CD1 3.76Å; I243-I247 HydrophobicContact CG2-CG1 4.48Å; I243-I247 VanDerWaalsContact O-CG1 3.32Å; I243-I247 WeakPolarHBondContact O-CG1 3.48Å; I243-I247 PolarHBondContact O-N 3.11Å; I243-I247 VanDerWaalsContact O-N 3.14Å
244S78.7Confident77.9Confident46 Ų46100.4 Ų100.432%0.32253%0.533SS..Hα-helixtrans-57.5-42.7177.2-177.80000112.1V240 E241 T246 Q250V240-S244 WeakPolarHBondContact O-CB 3.48Å; V240-S244 PolarHBondContact O-N 2.92Å; E241-S244 PolarHBondContact O-N 2.92Å; S244-T246 VanDerWaalsContact C-N 3.34Å; S244-Q250 PolarHBondContact O-NE2 3.32Å; S244-Q250 PolarHBondContact OG-NE2 3.45Å
245N78.7Confident77.1Confident124 Ų124101.6 Ų101.666%0.66355%0.545SS*.Hα-helixtrans-71.8-25177-71.4-23000113.5E241 I243E241-N245 WeakPolarHBondContact O-CB 3.15Å; E241-N245 VanDerWaalsContact O-CG 3.29Å; E241-N245 PolarHBondContact O-N 3.26Å; E241-N245 PolarHBondContact O-ND2 3.36Å; I243-N245 VanDerWaalsContact C-N 3.32Å; I243-N245 PolarHBondContact O-N 3.06Å
246T79.7Confident76.2Confident113 Ų113104.6 Ų104.669%0.69356%0.558SS**Hα-helixtrans-81.5-24179-55.70000112S242 I243 S244 E248S242-T246 WeakPolarHBondContact O-CB 3.36Å; S242-T246 PolarHBondContact O-N 3.16Å; S242-T246 VanDerWaalsContact O-N 3.13Å; S242-T246 PolarHBondContact O-OG1 3.33Å; I243-T246 PolarHBondContact O-N 2.87Å; I243-T246 VanDerWaalsContact O-N 3.09Å; S244-T246 VanDerWaalsContact C-N 3.34Å; T246-E248 PolarHBondContact O-N 3.08Å
247I73.2Confident75.6Confident83 Ų83104.4 Ų104.443%0.42656%0.557SS.*  trans-82.195.3178.6-62.6164.5000109I243 H249 Q250I243-I247 HydrophobicContact CG2-CD1 3.76Å; I243-I247 HydrophobicContact CG2-CG1 4.48Å; I243-I247 VanDerWaalsContact O-CG1 3.32Å; I243-I247 WeakPolarHBondContact O-CG1 3.48Å; I243-I247 PolarHBondContact O-N 3.11Å; I243-I247 VanDerWaalsContact O-N 3.14Å; I247-H249 PolarHBondContact O-N 3.01Å; I247-Q250 HydrophobicContact CB-CG 4.36Å; I247-Q250 HydrophobicContact CG2-CG 3.86Å
248E63.7Low75Confident179 Ų179102.2 Ų102.284%0.83655%0.548SS*.SBendtrans-60.3-27.6178.3-80.7-175.315700113.6T246T246-E248 PolarHBondContact O-N 3.08Å
249H65.1Low74.5Confident168 Ų168102.6 Ų102.678%0.77855%0.55SS*.SBendtrans-132.190.2179.8-64.9-50.5000110.7I247 F251I247-H249 PolarHBondContact O-N 3.01Å; H249-F251 PolarHBondContact O-N 2.66Å
250Q62.1Low74.2Confident121 Ų121104 Ų10457%0.56556%0.556SS**  trans-68.7126.1172.2-66.6-174.43.600109.7S244 I247 P252S244-Q250 PolarHBondContact O-NE2 3.32Å; S244-Q250 PolarHBondContact OG-NE2 3.45Å; I247-Q250 HydrophobicContact CB-CG 4.36Å; I247-Q250 HydrophobicContact CG2-CG 3.86Å; Q250-P252 VanDerWaalsContact O-CD 3.32Å; Q250-P252 WeakPolarHBondContact O-CD 3.48Å
251F64.4Low73.9Confident79 Ų79104.1 Ų104.135%0.34655%0.551SS.*  trans-71.7118.1179.3-175-98.9000109.8H249 G253 E257 L258 E261H249-F251 PolarHBondContact O-N 2.66Å; F251-G253 VanDerWaalsContact C-N 3.26Å; F251-G253 VanDerWaalsContact CD1-N 3.33Å; F251-G253 PolarHBondContact O-N 3.35Å; F251-E257 HydrophobicContact CE1-CB 3.79Å; F251-E257 VanDerWaalsContact CZ-C 3.4Å; F251-E257 HydrophobicContact CZ-CB 3.81Å; F251-L258 HydrophobicContact CB-CD1 3.94Å; F251-L258 HydrophobicContact CD1-CB 3.6Å; F251-L258 HydrophobicContact CD1-CD1 4.02Å; F251-L258 HydrophobicContact CD1-CG 4.27Å; F251-L258 HydrophobicContact CD2-CD1 3.76Å; F251-L258 VanDerWaalsContact CE1-CA 3.41Å; F251-L258 HydrophobicContact CE1-CB 3.57Å; F251-L258 HydrophobicContact CE1-CD1 4.46Å; F251-L258 HydrophobicContact CE2-CD1 4.24Å; F251-L258 HydrophobicContact CG-CB 4.16Å; F251-L258 HydrophobicContact CG-CD1 3.64Å; F251-L258 HydrophobicContact CG-CG 4.37Å; F251-L258 VanDerWaalsContact CZ-CA 3.47Å; F251-L258 HydrophobicContact CZ-CB 4.11Å; F251-L258 VanDerWaalsContact CZ-N 3.33Å; F251-E261 HydrophobicContact CE2-CB 3.98Å; F251-E261 HydrophobicContact CE2-CG 4.17Å; F251-E261 HydrophobicContact CZ-CB 4.37Å
252P68.7Low73.8Confident135 Ų135102.8 Ų102.888%0.87755%0.547SS*.  trans-80.5-0.9-173.631.5-34.9000114.3Q250Q250-P252 VanDerWaalsContact O-CD 3.32Å; Q250-P252 WeakPolarHBondContact O-CD 3.48Å
253G72.2Confident73.6Confident29 Ų29105.5 Ų105.530%0.29955%0.553SS.*SBendtrans-97.9177.2-178.700000114F251 E257F251-G253 VanDerWaalsContact C-N 3.26Å; F251-G253 VanDerWaalsContact CD1-N 3.33Å; F251-G253 PolarHBondContact O-N 3.35Å; G253-E257 WeakPolarHBondContact CA-OE2 3.43Å
254S72.8Confident73.5Confident60 Ų60105.5 Ų105.542%0.4255%0.552SS.*  trans-69.8159.3174.365.50000112.5Q256 E257 L258S254-Q256 PolarHBondContact O-N 2.94Å; S254-E257 PolarHBondContact N-OE2 2.92Å; S254-E257 WeakPolarHBondContact O-CB 3.29Å; S254-E257 PolarHBondContact O-N 3.49Å; S254-E257 WeakPolarHBondContact OG-CG 3.12Å; S254-E257 PolarHBondContact OG-OE2 3.26Å; S254-L258 PolarHBondContact O-N 2.93Å
255D73.9Confident73.6Confident145 Ų145110.3 Ų110.378%0.77556%0.564SS**Hα-helixtrans-51.1-31.1176.9-75.4-4.4000113.2Q259D255-Q259 PolarHBondContact O-N 3.22Å
256Q73.2Confident73.6Confident159 Ų159106.6 Ų106.674%0.74355%0.55SS**Hα-helixtrans-73.2-38.8176.8-66.3-176.9-4.800112.8S254 L258 Q259 T260S254-Q256 PolarHBondContact O-N 2.94Å; Q256-L258 VanDerWaalsContact C-N 3.33Å; Q256-Q259 PolarHBondContact O-N 2.9Å; Q256-T260 PolarHBondContact O-N 3.3Å; Q256-T260 VanDerWaalsContact O-N 3.17Å; Q256-T260 PolarHBondContact O-OG1 2.99Å
257E74Confident73.7Confident109 Ų109105.5 Ų105.551%0.50954%0.544SS..Hα-helixtrans-68.1-36.2176-69.7166.6154.100110.7F251 G253 S254 T260 E261F251-E257 HydrophobicContact CE1-CB 3.79Å; F251-E257 VanDerWaalsContact CZ-C 3.4Å; F251-E257 HydrophobicContact CZ-CB 3.81Å; G253-E257 WeakPolarHBondContact CA-OE2 3.43Å; S254-E257 PolarHBondContact N-OE2 2.92Å; S254-E257 WeakPolarHBondContact O-CB 3.29Å; S254-E257 PolarHBondContact O-N 3.49Å; S254-E257 WeakPolarHBondContact OG-CG 3.12Å; S254-E257 PolarHBondContact OG-OE2 3.26Å; E257-T260 PolarHBondContact O-N 2.86Å; E257-E261 PolarHBondContact O-N 3.46Å
258L76.8Confident74.2Confident65 Ų65105.7 Ų105.734%0.3455%0.549SS..Hα-helixtrans-63.9-43.6175.917958.6000111.5F251 S254 Q256 T260 E261 L262F251-L258 HydrophobicContact CB-CD1 3.94Å; F251-L258 HydrophobicContact CD1-CB 3.6Å; F251-L258 HydrophobicContact CD1-CD1 4.02Å; F251-L258 HydrophobicContact CD1-CG 4.27Å; F251-L258 HydrophobicContact CD2-CD1 3.76Å; F251-L258 VanDerWaalsContact CE1-CA 3.41Å; F251-L258 HydrophobicContact CE1-CB 3.57Å; F251-L258 HydrophobicContact CE1-CD1 4.46Å; F251-L258 HydrophobicContact CE2-CD1 4.24Å; F251-L258 HydrophobicContact CG-CB 4.16Å; F251-L258 HydrophobicContact CG-CD1 3.64Å; F251-L258 HydrophobicContact CG-CG 4.37Å; F251-L258 VanDerWaalsContact CZ-CA 3.47Å; F251-L258 HydrophobicContact CZ-CB 4.11Å; F251-L258 VanDerWaalsContact CZ-N 3.33Å; S254-L258 PolarHBondContact O-N 2.93Å; Q256-L258 VanDerWaalsContact C-N 3.33Å; L258-T260 VanDerWaalsContact C-N 3.28Å; L258-T260 PolarHBondContact O-N 2.94Å; L258-E261 PolarHBondContact O-N 3.37Å; L258-L262 HydrophobicContact CD1-CD1 4.49Å; L258-L262 HydrophobicContact CD1-CG 4.46Å; L258-L262 HydrophobicContact CG-CD1 4.3Å; L258-L262 WeakPolarHBondContact O-CG 3.36Å; L258-L262 PolarHBondContact O-N 3.39Å
259Q74.6Confident75.1Confident108 Ų108101 Ų10151%0.50553%0.529SS..Hα-helixtrans-62.4-39.6177.6-168.264.923.800111.5D255 Q256 L262 E263D255-Q259 PolarHBondContact O-N 3.22Å; Q256-Q259 PolarHBondContact O-N 2.9Å; Q259-L262 PolarHBondContact O-N 3.31Å; Q259-E263 PolarHBondContact O-N 2.88Å; Q259-E263 VanDerWaalsContact O-N 3.08Å
260T77.7Confident75.9Confident77 Ų7798 Ų9847%0.47252%0.519SS..Hα-helixtrans-67.4-41.5177.9-43.80000111.1Q256 E257 L258 L262 E263 M264Q256-T260 PolarHBondContact O-N 3.3Å; Q256-T260 VanDerWaalsContact O-N 3.17Å; Q256-T260 PolarHBondContact O-OG1 2.99Å; E257-T260 PolarHBondContact O-N 2.86Å; L258-T260 VanDerWaalsContact C-N 3.28Å; L258-T260 PolarHBondContact O-N 2.94Å; T260-L262 VanDerWaalsContact C-N 3.34Å; T260-L262 PolarHBondContact O-N 3.01Å; T260-E263 PolarHBondContact O-N 2.94Å; T260-M264 WeakPolarHBondContact O-CG 3.38Å; T260-M264 PolarHBondContact O-N 3.11Å
261E78.4Confident76.8Confident102 Ų10295 Ų9548%0.47751%0.514SS..Hα-helixtrans-66.7-35.5176.9-162.663.3-152.800111.8F251 E257 L258 M264 Y265F251-E261 HydrophobicContact CE2-CB 3.98Å; F251-E261 HydrophobicContact CE2-CG 4.17Å; F251-E261 HydrophobicContact CZ-CB 4.37Å; E257-E261 PolarHBondContact O-N 3.46Å; L258-E261 PolarHBondContact O-N 3.37Å; E261-M264 PolarHBondContact O-N 3.39Å; E261-Y265 VanDerWaalsContact O-CB 3.25Å; E261-Y265 WeakPolarHBondContact O-CB 3.43Å; E261-Y265 PolarHBondContact O-N 3.33Å
262L79.8Confident77.5Confident93 Ų9394.2 Ų94.249%0.48752%0.519SS..Hα-helixtrans-65.3-40.3173-76.9170.1000112.3L258 Q259 T260 Y265 A266L258-L262 HydrophobicContact CD1-CD1 4.49Å; L258-L262 HydrophobicContact CD1-CG 4.46Å; L258-L262 HydrophobicContact CG-CD1 4.3Å; L258-L262 WeakPolarHBondContact O-CG 3.36Å; L258-L262 PolarHBondContact O-N 3.39Å; Q259-L262 PolarHBondContact O-N 3.31Å; T260-L262 VanDerWaalsContact C-N 3.34Å; T260-L262 PolarHBondContact O-N 3.01Å; L262-Y265 PolarHBondContact O-N 2.96Å; L262-A266 WeakPolarHBondContact O-CB 3.37Å; L262-A266 PolarHBondContact O-N 3.48Å
263E78.4Confident78.1Confident119 Ų11991.3 Ų91.356%0.55650%0.501SS*.Hα-helixtrans-67.4-40.5174.7-74.1178.5-17400111.9Q259 T260 A266 T267Q259-E263 PolarHBondContact O-N 2.88Å; Q259-E263 VanDerWaalsContact O-N 3.08Å; T260-E263 PolarHBondContact O-N 2.94Å; E263-A266 PolarHBondContact O-N 2.83Å; E263-T267 WeakPolarHBondContact O-CG2 3.32Å; E263-T267 PolarHBondContact O-N 2.96Å; E263-T267 PolarHBondContact O-OG1 3.21Å
264M78Confident78.6Confident102 Ų10295.7 Ų95.750%0.50252%0.517SS..Hα-helixtrans-65.3-39.8173.4-76.3-172.25300112.4T260 E261 T267 T268T260-M264 WeakPolarHBondContact O-CG 3.38Å; T260-M264 PolarHBondContact O-N 3.11Å; E261-M264 PolarHBondContact O-N 3.39Å; M264-T267 WeakPolarHBondContact CA-OG1 3.48Å; M264-T267 PolarHBondContact O-N 2.93Å; M264-T267 PolarHBondContact O-OG1 3.04Å; M264-T268 VanDerWaalsContact O-CB 3.3Å; M264-T268 WeakPolarHBondContact O-CB 3.36Å; M264-T268 PolarHBondContact O-N 3.46Å; M264-T268 PolarHBondContact O-OG1 3.03Å
265Y80.3Confident79.2Confident147 Ų14797.8 Ų97.858%0.57652%0.523SS*.Hα-helixtrans-67.2-42.8175.5-175.9-99.2000111.2E261 L262 T267 T268 L269E261-Y265 VanDerWaalsContact O-CB 3.25Å; E261-Y265 WeakPolarHBondContact O-CB 3.43Å; E261-Y265 PolarHBondContact O-N 3.33Å; L262-Y265 PolarHBondContact O-N 2.96Å; Y265-T267 VanDerWaalsContact C-N 3.33Å; Y265-T267 PolarHBondContact O-N 2.88Å; Y265-T268 PolarHBondContact O-N 3.29Å; Y265-L269 HydrophobicContact CE1-CD2 4.3Å; Y265-L269 WeakPolarHBondContact O-CB 3.47Å; Y265-L269 PolarHBondContact O-N 3.44Å
266A79.3Confident79.5Confident45 Ų4594.3 Ų94.337%0.37251%0.507SS..Hα-helixtrans-62.1-39.917700000112.3L262 E263 N270L262-A266 WeakPolarHBondContact O-CB 3.37Å; L262-A266 PolarHBondContact O-N 3.48Å; E263-A266 PolarHBondContact O-N 2.83Å; A266-N270 WeakPolarHBondContact O-CB 3.2Å; A266-N270 PolarHBondContact O-N 3.36Å; A266-N270 PolarHBondContact O-ND2 3.13Å
267T81.8Confident80.1Confident91 Ų9189.2 Ų89.256%0.55849%0.489SS*.Hα-helixtrans-69.5-4117547.60000112E263 M264 Y265 N270 A271E263-T267 WeakPolarHBondContact O-CG2 3.32Å; E263-T267 PolarHBondContact O-N 2.96Å; E263-T267 PolarHBondContact O-OG1 3.21Å; M264-T267 WeakPolarHBondContact CA-OG1 3.48Å; M264-T267 PolarHBondContact O-N 2.93Å; M264-T267 PolarHBondContact O-OG1 3.04Å; Y265-T267 VanDerWaalsContact C-N 3.33Å; Y265-T267 PolarHBondContact O-N 2.88Å; T267-N270 PolarHBondContact O-N 2.93Å; T267-A271 WeakPolarHBondContact O-CB 3.46Å; T267-A271 PolarHBondContact O-N 3.37Å
268T82Confident80.7Confident86 Ų8687.6 Ų87.653%0.52849%0.486SS..Hα-helixtrans-65-42.7175.9-56.70000111.6M264 Y265 A271 S272M264-T268 VanDerWaalsContact O-CB 3.3Å; M264-T268 WeakPolarHBondContact O-CB 3.36Å; M264-T268 PolarHBondContact O-N 3.46Å; M264-T268 PolarHBondContact O-OG1 3.03Å; Y265-T268 PolarHBondContact O-N 3.29Å; T268-A271 PolarHBondContact O-N 3.25Å; T268-S272 WeakPolarHBondContact O-CB 3.33Å; T268-S272 PolarHBondContact O-N 3.03Å
269L83.5Confident81.1Confident81 Ų8189 Ų8942%0.42449%0.494SS..Hα-helixtrans-62.6-45.2176.7-174.769.3000110.6Y265 A271 S272 C273Y265-L269 HydrophobicContact CE1-CD2 4.3Å; Y265-L269 WeakPolarHBondContact O-CB 3.47Å; Y265-L269 PolarHBondContact O-N 3.44Å; L269-A271 PolarHBondContact O-N 2.94Å; L269-S272 PolarHBondContact O-N 3.32Å; L269-C273 WeakPolarHBondContact O-CB 3.2Å; L269-C273 PolarHBondContact O-N 3.35Å; L269-C273 PolarHBondContact O-SG 3.49Å; L269-C273 VanDerWaalsContact O-SG 3.33Å
270N82.3Confident81.6Confident105 Ų10589.6 Ų89.656%0.56150%0.496SS*.Hα-helixtrans-62.7-41.2175.4-81.2-28.7000112.4A266 T267 S272 C273 L274A266-N270 WeakPolarHBondContact O-CB 3.2Å; A266-N270 PolarHBondContact O-N 3.36Å; A266-N270 PolarHBondContact O-ND2 3.13Å; T267-N270 PolarHBondContact O-N 2.93Å; N270-S272 VanDerWaalsContact C-N 3.34Å; N270-C273 PolarHBondContact O-N 2.84Å; N270-L274 WeakPolarHBondContact O-CB 3.23Å; N270-L274 PolarHBondContact O-N 2.89Å
271A81.8Confident82Confident57 Ų5790.7 Ų90.747%0.47150%0.5SS..Hα-helixtrans-63.7-40.3174.600000111.8T267 T268 L269 L274 L275T267-A271 WeakPolarHBondContact O-CB 3.46Å; T267-A271 PolarHBondContact O-N 3.37Å; T268-A271 PolarHBondContact O-N 3.25Å; L269-A271 PolarHBondContact O-N 2.94Å; A271-L274 PolarHBondContact O-N 3.43Å; A271-L275 WeakPolarHBondContact O-CB 3.17Å; A271-L275 PolarHBondContact O-N 2.99Å
272S77.5Confident82.5Confident64 Ų6488.8 Ų88.845%0.44850%0.497SS..Hα-helixtrans-66.5-43.2176-139.90000111.6T268 L269 N270 L274 L275 V276T268-S272 WeakPolarHBondContact O-CB 3.33Å; T268-S272 PolarHBondContact O-N 3.03Å; L269-S272 PolarHBondContact O-N 3.32Å; N270-S272 VanDerWaalsContact C-N 3.34Å; S272-L274 VanDerWaalsContact C-N 3.34Å; S272-L274 PolarHBondContact O-N 2.97Å; S272-L275 WeakPolarHBondContact O-CB 3.43Å; S272-L275 PolarHBondContact O-N 2.84Å; S272-L275 VanDerWaalsContact O-N 3.16Å; S272-V276 WeakPolarHBondContact O-CG2 3.37Å; S272-V276 PolarHBondContact O-N 3.31Å
273C81Confident82.8Confident73 Ų7389 Ų8949%0.49350%0.498SS..Hα-helixtrans-60.5-40.6173.8-74.50000112.2L269 N270 V276 S277L269-C273 WeakPolarHBondContact O-CB 3.2Å; L269-C273 PolarHBondContact O-N 3.35Å; L269-C273 PolarHBondContact O-SG 3.49Å; L269-C273 VanDerWaalsContact O-SG 3.33Å; N270-C273 PolarHBondContact O-N 2.84Å; C273-V276 PolarHBondContact O-N 3.09Å; C273-S277 WeakPolarHBondContact O-CB 3.1Å; C273-S277 PolarHBondContact O-N 2.97Å
274L83.9Confident83.2Confident121 Ų12187 Ų8763%0.63450%0.497SS*.Hα-helixtrans-65.5-38.4173.9-84.6161.5000112.3N270 A271 S272 S277 T278N270-L274 WeakPolarHBondContact O-CB 3.23Å; N270-L274 PolarHBondContact O-N 2.89Å; A271-L274 PolarHBondContact O-N 3.43Å; S272-L274 VanDerWaalsContact C-N 3.34Å; S272-L274 PolarHBondContact O-N 2.97Å; L274-S277 PolarHBondContact O-N 3.34Å; L274-T278 WeakPolarHBondContact O-CG2 3.44Å; L274-T278 PolarHBondContact O-N 2.83Å; L274-T278 PolarHBondContact O-OG1 3.38Å
275L85.6Confident83.7Confident104 Ų10488.6 Ų88.655%0.54550%0.504SS..Hα-helixtrans-66.6-44.5175.4-168.580.5000111.2A271 S272 S277 T278 L279A271-L275 WeakPolarHBondContact O-CB 3.17Å; A271-L275 PolarHBondContact O-N 2.99Å; S272-L275 WeakPolarHBondContact O-CB 3.43Å; S272-L275 PolarHBondContact O-N 2.84Å; S272-L275 VanDerWaalsContact O-N 3.16Å; L275-S277 VanDerWaalsContact C-N 3.33Å; L275-S277 PolarHBondContact O-N 3.02Å; L275-T278 WeakPolarHBondContact CA-OG1 3.46Å; L275-T278 PolarHBondContact O-N 2.81Å; L275-T278 PolarHBondContact O-OG1 2.9Å; L275-L279 HydrophobicContact CD2-CD1 4.46Å; L275-L279 HydrophobicContact CG-CD1 4.19Å; L275-L279 WeakPolarHBondContact O-CB 3.35Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.43Å; L275-L279 PolarHBondContact O-N 3.28Å
276V80.5Confident84.1Confident72 Ų7286.6 Ų86.644%0.43650%0.502SS..Hα-helixtrans-59.8-46.1175.3171.80000110S272 C273 T278 L279 E280S272-V276 WeakPolarHBondContact O-CG2 3.37Å; S272-V276 PolarHBondContact O-N 3.31Å; C273-V276 PolarHBondContact O-N 3.09Å; V276-T278 PolarHBondContact O-N 3.47Å; V276-L279 PolarHBondContact O-N 2.9Å; V276-E280 HydrophobicContact CG1-CG 4.29Å; V276-E280 WeakPolarHBondContact O-CB 3.37Å; V276-E280 VanDerWaalsContact O-CG 3.32Å; V276-E280 WeakPolarHBondContact O-CG 3.36Å; V276-E280 PolarHBondContact O-N 3.46Å
277S85Confident84.4Confident53 Ų5389.2 Ų89.237%0.37151%0.51SS..Hα-helixtrans-62.8-38.4177.9-174.50000113.2C273 L274 L275 N281C273-S277 WeakPolarHBondContact O-CB 3.1Å; C273-S277 PolarHBondContact O-N 2.97Å; L274-S277 PolarHBondContact O-N 3.34Å; L275-S277 VanDerWaalsContact C-N 3.33Å; L275-S277 PolarHBondContact O-N 3.02Å; S277-N281 VanDerWaalsContact O-CG 3.28Å; S277-N281 PolarHBondContact O-N 3.46Å; S277-N281 VanDerWaalsContact O-N 3.08Å; S277-N281 PolarHBondContact O-ND2 3.23Å
278T87.2Confident84.6Confident75 Ų7588 Ų8846%0.4651%0.505SS..Hα-helixtrans-71.5-35.4176.647.60000112.6L274 L275 V276 S282L274-T278 WeakPolarHBondContact O-CG2 3.44Å; L274-T278 PolarHBondContact O-N 2.83Å; L274-T278 PolarHBondContact O-OG1 3.38Å; L275-T278 WeakPolarHBondContact CA-OG1 3.46Å; L275-T278 PolarHBondContact O-N 2.81Å; L275-T278 PolarHBondContact O-OG1 2.9Å; V276-T278 PolarHBondContact O-N 3.47Å; T278-S282 WeakPolarHBondContact O-CB 3.41Å; T278-S282 PolarHBondContact O-N 2.84Å; T278-S282 PolarHBondContact O-OG 3.21Å
279L85.3Confident85Confident95 Ų9590.7 Ų90.750%0.49751%0.506SS..Hα-helixtrans-67.9-43.5173.5-71.8171.5000111.9L275 V276 N281 S282 I283L275-L279 HydrophobicContact CD2-CD1 4.46Å; L275-L279 HydrophobicContact CG-CD1 4.19Å; L275-L279 WeakPolarHBondContact O-CB 3.35Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.43Å; L275-L279 PolarHBondContact O-N 3.28Å; V276-L279 PolarHBondContact O-N 2.9Å; L279-N281 VanDerWaalsContact C-N 3.32Å; L279-N281 PolarHBondContact O-N 3.42Å; L279-S282 WeakPolarHBondContact O-CB 3.02Å; L279-S282 PolarHBondContact O-N 3.18Å; L279-S282 VanDerWaalsContact O-N 3.13Å; L279-I283 VanDerWaalsContact O-CG1 3.32Å; L279-I283 WeakPolarHBondContact O-CG1 3.3Å; L279-I283 PolarHBondContact O-N 3.28Å
280E84.3Confident85.2Confident119 Ų11991.5 Ų91.556%0.55651%0.51SS*.Hα-helixtrans-58.6-43.1174.7-75.6175.8162.800111.6V276 I283 S284V276-E280 HydrophobicContact CG1-CG 4.29Å; V276-E280 WeakPolarHBondContact O-CB 3.37Å; V276-E280 VanDerWaalsContact O-CG 3.32Å; V276-E280 WeakPolarHBondContact O-CG 3.36Å; V276-E280 PolarHBondContact O-N 3.46Å; E280-I283 PolarHBondContact O-N 3.43Å; E280-S284 PolarHBondContact O-N 3.18Å
281N86.5Confident85.3Confident101 Ų10189 Ų8954%0.5450%0.504SS..Hα-helixtrans-64.2-40174.6-73.7-35.7000112.3S277 L279 S284 E285S277-N281 VanDerWaalsContact O-CG 3.28Å; S277-N281 PolarHBondContact O-N 3.46Å; S277-N281 VanDerWaalsContact O-N 3.08Å; S277-N281 PolarHBondContact O-ND2 3.23Å; L279-N281 VanDerWaalsContact C-N 3.32Å; L279-N281 PolarHBondContact O-N 3.42Å; N281-S284 PolarHBondContact O-N 3.43Å; N281-E285 PolarHBondContact O-N 3.07Å
282S89.6Confident85.6Confident61 Ų6191.8 Ų91.843%0.42751%0.507SS..Hα-helixtrans-66.3-37.9177.5-57.70000112.2T278 L279 E285 L286T278-S282 WeakPolarHBondContact O-CB 3.41Å; T278-S282 PolarHBondContact O-N 2.84Å; T278-S282 PolarHBondContact O-OG 3.21Å; L279-S282 WeakPolarHBondContact O-CB 3.02Å; L279-S282 PolarHBondContact O-N 3.18Å; L279-S282 VanDerWaalsContact O-N 3.13Å; S282-E285 PolarHBondContact O-N 3.26Å; S282-L286 WeakPolarHBondContact O-CB 3.48Å; S282-L286 WeakPolarHBondContact O-CG 3.47Å; S282-L286 PolarHBondContact O-N 3.16Å
283I85.7Confident86.1Confident98 Ų9894.5 Ų94.550%0.50351%0.512SS..Hα-helixtrans-64.3-47.2173.8-68.9166.1000109.7L279 E280 E285 L286 D287L279-I283 VanDerWaalsContact O-CG1 3.32Å; L279-I283 WeakPolarHBondContact O-CG1 3.3Å; L279-I283 PolarHBondContact O-N 3.28Å; E280-I283 PolarHBondContact O-N 3.43Å; I283-E285 VanDerWaalsContact C-N 3.29Å; I283-E285 PolarHBondContact O-N 3.05Å; I283-L286 PolarHBondContact O-N 3.41Å; I283-D287 PolarHBondContact O-N 2.79Å
284S86.5Confident86.1Confident78 Ų7896.7 Ų96.755%0.54552%0.515SS..Hα-helixtrans-59.6-37.1177.1-176.20000112.9E280 N281 S288E280-S284 PolarHBondContact O-N 3.18Å; N281-S284 PolarHBondContact O-N 3.43Å; S284-S288 PolarHBondContact O-N 3.22Å; S284-S288 VanDerWaalsContact O-N 3.13Å
285E89Confident86.2Confident135 Ų13595.7 Ų95.763%0.63151%0.511SS*.Hα-helixtrans-73.5-37.8178.2-171.4160.8-166.200112.2N281 S282 I283 S288 R289N281-E285 PolarHBondContact O-N 3.07Å; S282-E285 PolarHBondContact O-N 3.26Å; I283-E285 VanDerWaalsContact C-N 3.29Å; I283-E285 PolarHBondContact O-N 3.05Å; E285-S288 PolarHBondContact O-N 3.47Å; E285-R289 WeakPolarHBondContact O-CG 3.4Å; E285-R289 PolarHBondContact O-N 3.19Å
286L87.7Confident86.2Confident104 Ų10496.7 Ų96.755%0.54551%0.511SS..Hα-helixtrans-64.7-42.3172.7-76.1169.6000112S282 I283 S288 R289 L290S282-L286 WeakPolarHBondContact O-CB 3.48Å; S282-L286 WeakPolarHBondContact O-CG 3.47Å; S282-L286 PolarHBondContact O-N 3.16Å; I283-L286 PolarHBondContact O-N 3.41Å; L286-S288 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 3.41Å; L286-R289 PolarHBondContact O-N 3.01Å; L286-L290 WeakPolarHBondContact O-CB 3.4Å; L286-L290 PolarHBondContact O-N 3.47Å
287D85.9Confident86.5Confident100 Ų10098.7 Ų98.754%0.53552%0.515SS..Hα-helixtrans-62.5-40.3176.1-77.9-24.5000111.6I283 L290 A291I283-D287 PolarHBondContact O-N 2.79Å; D287-L290 PolarHBondContact O-N 2.92Å; D287-A291 WeakPolarHBondContact O-CB 3.36Å; D287-A291 PolarHBondContact O-N 3.31Å
288S86.8Confident86.4Confident66 Ų66101.7 Ų101.746%0.46253%0.526SS..Hα-helixtrans-62.1-43.3173.8-178.30000112.3S284 E285 L286 A291 Q292S284-S288 PolarHBondContact O-N 3.22Å; S284-S288 VanDerWaalsContact O-N 3.13Å; E285-S288 PolarHBondContact O-N 3.47Å; L286-S288 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 3.41Å; S288-A291 PolarHBondContact O-N 3.18Å; S288-Q292 PolarHBondContact O-N 2.81Å
289R89.8Confident86.3Confident142 Ų142102.5 Ų102.554%0.53653%0.528SS..Hα-helixtrans-65.4-39.2175.1-73.1175.162.5-177.9-1.7112.1E285 L286 A291 Q292 H293E285-R289 WeakPolarHBondContact O-CG 3.4Å; E285-R289 PolarHBondContact O-N 3.19Å; L286-R289 PolarHBondContact O-N 3.01Å; R289-A291 VanDerWaalsContact C-N 3.35Å; R289-Q292 PolarHBondContact O-N 2.92Å; R289-H293 PolarHBondContact O-CD2 3.35Å; R289-H293 PolarHBondContact O-N 3.11Å
290L87.1Confident86.4Confident99 Ų99103.2 Ų103.252%0.51853%0.532SS..Hα-helixtrans-64.1-42.6177.8-160.4119.5000110.7L286 D287 H293 Q294L286-L290 WeakPolarHBondContact O-CB 3.4Å; L286-L290 PolarHBondContact O-N 3.47Å; D287-L290 PolarHBondContact O-N 2.92Å; L290-H293 PolarHBondContact O-N 3.41Å; L290-Q294 VanDerWaalsContact O-CG 3.32Å; L290-Q294 WeakPolarHBondContact O-CG 3.45Å; L290-Q294 PolarHBondContact O-N 3.25Å
291A85.5Confident86.5Confident52 Ų52100.1 Ų100.143%0.4352%0.519SS..Hα-helixtrans-61.1-45.1173.700000112.2D287 S288 R289 H293 Q294 D295D287-A291 WeakPolarHBondContact O-CB 3.36Å; D287-A291 PolarHBondContact O-N 3.31Å; S288-A291 PolarHBondContact O-N 3.18Å; R289-A291 VanDerWaalsContact C-N 3.35Å; A291-H293 VanDerWaalsContact C-N 3.34Å; A291-H293 PolarHBondContact O-N 3.2Å; A291-Q294 PolarHBondContact O-N 3.33Å; A291-D295 PolarHBondContact O-N 2.78Å
292Q88Confident86.3Confident115 Ų11598.2 Ų98.254%0.53752%0.517SS..Hα-helixtrans-62-38.9175.6-75.6-176.53.400113.1S288 R289 K296S288-Q292 PolarHBondContact O-N 2.81Å; R289-Q292 PolarHBondContact O-N 2.92Å; Q292-K296 PolarHBondContact O-N 3.21Å; Q292-K296 VanDerWaalsContact O-N 3.14Å
293H86.5Confident86.2Confident121 Ų121101.3 Ų101.356%0.5652%0.524SS*.Hα-helixtrans-68.8-36.4176-84.2-68.3000112.2R289 L290 A291 H297R289-H293 PolarHBondContact O-CD2 3.35Å; R289-H293 PolarHBondContact O-N 3.11Å; L290-H293 PolarHBondContact O-N 3.41Å; A291-H293 VanDerWaalsContact C-N 3.34Å; A291-H293 PolarHBondContact O-N 3.2Å; H293-H297 WeakPolarHBondContact O-CB 3.45Å; H293-H297 PolarHBondContact O-N 3.47Å
294Q82.4Confident86.2Confident119 Ų119102.2 Ų102.256%0.55653%0.525SS*.Hα-helixtrans-65.5-40.2174.9-75.8175.7-12.800112.1L290 A291 H297 L298L290-Q294 VanDerWaalsContact O-CG 3.32Å; L290-Q294 WeakPolarHBondContact O-CG 3.45Å; L290-Q294 PolarHBondContact O-N 3.25Å; A291-Q294 PolarHBondContact O-N 3.33Å; Q294-H297 PolarHBondContact O-N 2.94Å; Q294-L298 PolarHBondContact O-N 2.99Å
295D84.8Confident85.9Confident101 Ų101106.5 Ų106.554%0.5453%0.529SS..Hα-helixtrans-63.8-49.3176.9-159.149.9000111.3A291 H297 L298 D299A291-D295 PolarHBondContact O-N 2.78Å; D295-H297 VanDerWaalsContact C-N 3.29Å; D295-H297 PolarHBondContact O-N 3.2Å; D295-L298 WeakPolarHBondContact O-CA 3.49Å; D295-L298 VanDerWaalsContact O-CB 3.25Å; D295-L298 WeakPolarHBondContact O-CB 3.47Å; D295-L298 PolarHBondContact O-N 3.08Å; D295-D299 PolarHBondContact O-N 2.97Å
296K87.2Confident85.7Confident124 Ų124102 Ų10254%0.53952%0.519SS..Hα-helixtrans-58.9-37.9174-75.1178.7179.5174.90113.3Q292 L298 D299 L300Q292-K296 PolarHBondContact O-N 3.21Å; Q292-K296 VanDerWaalsContact O-N 3.14Å; K296-L298 VanDerWaalsContact C-N 3.32Å; K296-D299 PolarHBondContact O-N 3.48Å; K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.49Å; K296-L300 PolarHBondContact O-N 2.98Å
297H85.1Confident85.5Confident115 Ų115102.3 Ų102.353%0.53252%0.52SS..Hα-helixtrans-67.4-36.2175.5176-95.4000111.4H293 Q294 D295 L301H293-H297 WeakPolarHBondContact O-CB 3.45Å; H293-H297 PolarHBondContact O-N 3.47Å; Q294-H297 PolarHBondContact O-N 2.94Å; D295-H297 VanDerWaalsContact C-N 3.29Å; D295-H297 PolarHBondContact O-N 3.2Å; H297-L301 WeakPolarHBondContact CE1-CD1 3.28Å; H297-L301 WeakPolarHBondContact O-CB 3.35Å; H297-L301 WeakPolarHBondContact O-CG 3.38Å; H297-L301 PolarHBondContact O-N 3.31Å
298L83.4Confident85.4Confident116 Ų116102.2 Ų102.261%0.60752%0.516SS*.Hα-helixtrans-63.9-43.3173.7-133.891.8000111.5Q294 D295 K296 L301 A302Q294-L298 PolarHBondContact O-N 2.99Å; D295-L298 WeakPolarHBondContact O-CA 3.49Å; D295-L298 VanDerWaalsContact O-CB 3.25Å; D295-L298 WeakPolarHBondContact O-CB 3.47Å; D295-L298 PolarHBondContact O-N 3.08Å; K296-L298 VanDerWaalsContact C-N 3.32Å; L298-L301 WeakPolarHBondContact O-CB 3.34Å; L298-L301 PolarHBondContact O-N 2.93Å; L298-A302 PolarHBondContact O-N 3.46Å
299D86Confident85.1Confident92 Ų92102 Ų10249%0.49252%0.518SS..Hα-helixtrans-63.4-48.1177-72.8-22.5000111.9D295 K296 L301 A302 E303D295-D299 PolarHBondContact O-N 2.97Å; K296-D299 PolarHBondContact O-N 3.48Å; D299-L301 VanDerWaalsContact C-N 3.29Å; D299-L301 PolarHBondContact O-N 2.95Å; D299-A302 CarbonylContact O-C 3.59Å; D299-A302 WeakPolarHBondContact O-CA 3.3Å; D299-A302 WeakPolarHBondContact O-CB 3.3Å; D299-A302 PolarHBondContact O-N 3.22Å; D299-E303 PolarHBondContact O-N 3.4Å
300L86.5Confident84.8Confident109 Ų109100.2 Ų100.257%0.57152%0.516SS*.Hα-helixtrans-63.2-35.3176.5-74.4167.4000112.2K296 A302 K304K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.49Å; K296-L300 PolarHBondContact O-N 2.98Å; L300-A302 VanDerWaalsContact C-N 3.35Å; L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.42Å; L300-K304 PolarHBondContact O-N 3.45Å
301L86.2Confident84.5Confident55 Ų5599.5 Ų99.529%0.28851%0.512SS..Hα-helixtrans-65.9-37.9171.4-84.7173.5000111.8H297 L298 D299 R305H297-L301 WeakPolarHBondContact CE1-CD1 3.28Å; H297-L301 WeakPolarHBondContact O-CB 3.35Å; H297-L301 WeakPolarHBondContact O-CG 3.38Å; H297-L301 PolarHBondContact O-N 3.31Å; L298-L301 WeakPolarHBondContact O-CB 3.34Å; L298-L301 PolarHBondContact O-N 2.93Å; D299-L301 VanDerWaalsContact C-N 3.29Å; D299-L301 PolarHBondContact O-N 2.95Å; L301-R305 WeakPolarHBondContact O-CB 3.4Å; L301-R305 WeakPolarHBondContact O-CG 3.17Å; L301-R305 PolarHBondContact O-N 2.94Å
302A83.2Confident84.3Confident60 Ų60102.7 Ų102.750%0.49652%0.518SS..Hα-helixtrans-66.8-43.5175.900000111.3L298 D299 L300 R305 G306L298-A302 PolarHBondContact O-N 3.46Å; D299-A302 CarbonylContact O-C 3.59Å; D299-A302 WeakPolarHBondContact O-CA 3.3Å; D299-A302 WeakPolarHBondContact O-CB 3.3Å; D299-A302 PolarHBondContact O-N 3.22Å; L300-A302 VanDerWaalsContact C-N 3.35Å; A302-R305 PolarHBondContact O-N 3.42Å; A302-G306 PolarHBondContact O-N 3.25Å
303E86.8Confident84.1Confident126 Ų126101.9 Ų101.959%0.58951%0.512SS*.Hα-helixtrans-61.3-47173.6-74.1-174.4169.800111.8D299 R305 G306 I307D299-E303 PolarHBondContact O-N 3.4Å; E303-R305 VanDerWaalsContact C-N 3.35Å; E303-R305 PolarHBondContact O-N 2.81Å; E303-G306 PolarHBondContact O-N 3.38Å; E303-G306 VanDerWaalsContact O-N 3.12Å; E303-I307 WeakPolarHBondContact O-CG1 3.45Å; E303-I307 PolarHBondContact O-N 3.41Å
304K85.6Confident83.8Confident118 Ų118100.4 Ų100.451%0.51351%0.508SS..Hα-helixtrans-57.4-48175.9178.3179.3169.31800111.2L300 G306 I307 E308L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.42Å; L300-K304 PolarHBondContact O-N 3.45Å; K304-G306 VanDerWaalsContact C-N 3.29Å; K304-G306 PolarHBondContact O-N 2.91Å; K304-I307 PolarHBondContact O-N 3.32Å; K304-E308 WeakPolarHBondContact CE-OE1 3.29Å; K304-E308 HydrophobicContact CG-CG 4.43Å; K304-E308 IonicContact NZ-OE1 3.75Å; K304-E308 WeakPolarHBondContact O-CB 3.48Å; K304-E308 VanDerWaalsContact O-CG 3.31Å; K304-E308 WeakPolarHBondContact O-CG 3.37Å; K304-E308 PolarHBondContact O-N 3.39Å
305R81.4Confident83.6Confident168 Ų168100 Ų10063%0.63451%0.507SS*.Hα-helixtrans-63-36.4176.8-73.3-179.9-153.7-167.77.4112L301 A302 E303 A309L301-R305 WeakPolarHBondContact O-CB 3.4Å; L301-R305 WeakPolarHBondContact O-CG 3.17Å; L301-R305 PolarHBondContact O-N 2.94Å; A302-R305 PolarHBondContact O-N 3.42Å; E303-R305 VanDerWaalsContact C-N 3.35Å; E303-R305 PolarHBondContact O-N 2.81Å; R305-A309 VanDerWaalsContact O-CB 3.27Å; R305-A309 WeakPolarHBondContact O-CB 3.44Å; R305-A309 PolarHBondContact O-N 3.5Å
306G84.4Confident83.5Confident41 Ų41100 Ų10042%0.42350%0.503SS..Hα-helixtrans-63-47.1175.100000112.2A302 E303 K304 A309 E310A302-G306 PolarHBondContact O-N 3.25Å; E303-G306 PolarHBondContact O-N 3.38Å; E303-G306 VanDerWaalsContact O-N 3.12Å; K304-G306 VanDerWaalsContact C-N 3.29Å; K304-G306 PolarHBondContact O-N 2.91Å; G306-A309 PolarHBondContact O-N 3.4Å; G306-E310 PolarHBondContact O-N 3.47Å
307I83.7Confident83.2Confident109 Ų10999.4 Ų99.456%0.55950%0.501SS*.Hα-helixtrans-65.8-42176.8-65.3168.6000111E303 K304 A309 E310 I311E303-I307 WeakPolarHBondContact O-CG1 3.45Å; E303-I307 PolarHBondContact O-N 3.41Å; K304-I307 PolarHBondContact O-N 3.32Å; I307-A309 VanDerWaalsContact C-N 3.33Å; I307-A309 PolarHBondContact O-N 3.03Å; I307-E310 PolarHBondContact O-N 3.17Å; I307-I311 HydrophobicContact CG2-CD1 3.89Å; I307-I311 HydrophobicContact CG2-CG1 4.39Å; I307-I311 WeakPolarHBondContact O-CB 3.27Å; I307-I311 VanDerWaalsContact O-CG1 3.29Å; I307-I311 WeakPolarHBondContact O-CG1 3.49Å; I307-I311 PolarHBondContact O-N 2.88Å
308E82.9Confident82.9Confident99 Ų9998.3 Ų98.346%0.46350%0.498SS..Hα-helixtrans-62.5-40175.8-75.7173.6167.100111.8K304 I311 H312K304-E308 WeakPolarHBondContact CE-OE1 3.29Å; K304-E308 HydrophobicContact CG-CG 4.43Å; K304-E308 IonicContact NZ-OE1 3.75Å; K304-E308 WeakPolarHBondContact O-CB 3.48Å; K304-E308 VanDerWaalsContact O-CG 3.31Å; K304-E308 WeakPolarHBondContact O-CG 3.37Å; K304-E308 PolarHBondContact O-N 3.39Å; E308-I311 PolarHBondContact O-N 2.94Å; E308-H312 WeakPolarHBondContact O-CB 3.5Å; E308-H312 PolarHBondContact O-N 2.86Å
309A80.7Confident82.7Confident60 Ų6096.1 Ų96.150%0.49649%0.489SS..Hα-helixtrans-65.7-40.3174.200000112R305 G306 I307 H312 F313R305-A309 VanDerWaalsContact O-CB 3.27Å; R305-A309 WeakPolarHBondContact O-CB 3.44Å; R305-A309 PolarHBondContact O-N 3.5Å; G306-A309 PolarHBondContact O-N 3.4Å; I307-A309 VanDerWaalsContact C-N 3.33Å; I307-A309 PolarHBondContact O-N 3.03Å; A309-H312 PolarHBondContact O-N 3.48Å; A309-F313 VanDerWaalsContact O-CB 3.29Å; A309-F313 WeakPolarHBondContact O-CB 3.29Å; A309-F313 PolarHBondContact O-N 2.89Å
310E83.6Confident82.2Confident105 Ų10594 Ų9449%0.49148%0.478SS..Hα-helixtrans-67-41.4176.3-166.263.7-151.900111.6G306 I307 F313 L314G306-E310 PolarHBondContact O-N 3.47Å; I307-E310 PolarHBondContact O-N 3.17Å; E310-F313 PolarHBondContact O-N 2.94Å; E310-L314 HydrophobicContact CG-CD1 4.33Å; E310-L314 WeakPolarHBondContact O-CB 3.37Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.48Å; E310-L314 PolarHBondContact O-N 3.42Å
311I80.4Confident81.7Confident85 Ų8594 Ų9444%0.43648%0.478SS..Hα-helixtrans-61-46.4173.2-71.5169.6000110.3I307 E308 F313 L314 Q315I307-I311 HydrophobicContact CG2-CD1 3.89Å; I307-I311 HydrophobicContact CG2-CG1 4.39Å; I307-I311 WeakPolarHBondContact O-CB 3.27Å; I307-I311 VanDerWaalsContact O-CG1 3.29Å; I307-I311 WeakPolarHBondContact O-CG1 3.49Å; I307-I311 PolarHBondContact O-N 2.88Å; E308-I311 PolarHBondContact O-N 2.94Å; I311-F313 VanDerWaalsContact C-N 3.34Å; I311-F313 PolarHBondContact O-N 3.33Å; I311-L314 PolarHBondContact O-N 3.37Å; I311-Q315 HydrophobicContact CG2-CG 4.39Å; I311-Q315 WeakPolarHBondContact O-CB 3.42Å; I311-Q315 VanDerWaalsContact O-CG 3.29Å; I311-Q315 WeakPolarHBondContact O-CG 3.26Å; I311-Q315 PolarHBondContact O-N 3.33Å
312H82.5Confident81Confident119 Ų11997 Ų9755%0.55149%0.49SS*.Hα-helixtrans-62.8-42.5177.6-174.2-76.8000111.3E308 A309 Q315 E316E308-H312 WeakPolarHBondContact O-CB 3.5Å; E308-H312 PolarHBondContact O-N 2.86Å; A309-H312 PolarHBondContact O-N 3.48Å; H312-Q315 PolarHBondContact O-N 3.09Å; H312-E316 WeakPolarHBondContact O-CB 3.45Å; H312-E316 PolarHBondContact O-N 3.31Å
313F82.6Confident80.6Confident97 Ų97100.1 Ų100.143%0.42549%0.489SS..Hα-helixtrans-61.8-43.8176.1179-103.8000111.8A309 E310 I311 E316 K317A309-F313 VanDerWaalsContact O-CB 3.29Å; A309-F313 WeakPolarHBondContact O-CB 3.29Å; A309-F313 PolarHBondContact O-N 2.89Å; E310-F313 PolarHBondContact O-N 2.94Å; I311-F313 VanDerWaalsContact C-N 3.34Å; I311-F313 PolarHBondContact O-N 3.33Å; F313-E316 PolarHBondContact O-N 2.85Å; F313-K317 HydrophobicContact CD1-CG 4.42Å; F313-K317 HydrophobicContact CE1-CG 4.09Å; F313-K317 HydrophobicContact CZ-CD 4.43Å; F313-K317 VanDerWaalsContact CZ-CE 3.4Å; F313-K317 HydrophobicContact CZ-CG 4.17Å; F313-K317 WeakPolarHBondContact O-CG 3.29Å; F313-K317 PolarHBondContact O-N 2.79Å
314L81.1Confident79.7Confident90 Ų9099.1 Ų99.147%0.47149%0.485SS..Hα-helixtrans-66.9-38.4175.8-71.7170.5000112E310 I311 K317 I318E310-L314 HydrophobicContact CG-CD1 4.33Å; E310-L314 WeakPolarHBondContact O-CB 3.37Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.48Å; E310-L314 PolarHBondContact O-N 3.42Å; I311-L314 PolarHBondContact O-N 3.37Å; L314-K317 PolarHBondContact O-N 2.85Å; L314-I318 WeakPolarHBondContact O-CB 3.43Å; L314-I318 VanDerWaalsContact O-CG1 3.23Å; L314-I318 WeakPolarHBondContact O-CG1 3.43Å; L314-I318 PolarHBondContact O-N 3.05Å
315Q78.7Confident78.7Confident112 Ų11297.3 Ų97.352%0.52348%0.484SS..Hα-helixtrans-64.5-40.9173.7-77.4176.1-1600111.8I311 H312 I318 T319I311-Q315 HydrophobicContact CG2-CG 4.39Å; I311-Q315 WeakPolarHBondContact O-CB 3.42Å; I311-Q315 VanDerWaalsContact O-CG 3.29Å; I311-Q315 WeakPolarHBondContact O-CG 3.26Å; I311-Q315 PolarHBondContact O-N 3.33Å; H312-Q315 PolarHBondContact O-N 3.09Å; Q315-I318 PolarHBondContact O-N 2.87Å; Q315-T319 WeakPolarHBondContact O-CB 3.34Å; Q315-T319 PolarHBondContact O-N 3.27Å; Q315-T319 PolarHBondContact O-OG1 3.05Å
316E80.9Confident77.8Confident100 Ų10094.7 Ų94.747%0.46748%0.479SS..Hα-helixtrans-63.2-43.7173.7-172.4175.3-173.600110.8H312 F313 I318 T319 D320H312-E316 WeakPolarHBondContact O-CB 3.45Å; H312-E316 PolarHBondContact O-N 3.31Å; F313-E316 PolarHBondContact O-N 2.85Å; E316-I318 PolarHBondContact O-N 3.4Å; E316-T319 CarbonylContact O-C 3.59Å; E316-T319 WeakPolarHBondContact O-CB 3.37Å; E316-T319 PolarHBondContact O-N 3.34Å; E316-T319 VanDerWaalsContact O-N 3.15Å; E316-D320 WeakPolarHBondContact O-CB 3.41Å; E316-D320 PolarHBondContact O-N 2.85Å
317K82Confident76.9Confident112 Ų11299 Ų9949%0.48748%0.483SS..Hα-helixtrans-62.9-39.8174.1-72.3-65.2179-163.80113.2F313 L314 T319 D320 L321F313-K317 HydrophobicContact CD1-CG 4.42Å; F313-K317 HydrophobicContact CE1-CG 4.09Å; F313-K317 HydrophobicContact CZ-CD 4.43Å; F313-K317 VanDerWaalsContact CZ-CE 3.4Å; F313-K317 HydrophobicContact CZ-CG 4.17Å; F313-K317 WeakPolarHBondContact O-CG 3.29Å; F313-K317 PolarHBondContact O-N 2.79Å; L314-K317 PolarHBondContact O-N 2.85Å; K317-T319 VanDerWaalsContact C-N 3.31Å; K317-D320 PolarHBondContact O-N 2.87Å; K317-L321 WeakPolarHBondContact O-CB 3.38Å; K317-L321 PolarHBondContact O-N 3.26Å
318I77.9Confident75.8Confident91 Ų9198 Ų9847%0.46748%0.476SS..Hα-helixtrans-64.5-40.3173.5-72.3166.3000110.1L314 Q315 E316 L321 H322L314-I318 WeakPolarHBondContact O-CB 3.43Å; L314-I318 VanDerWaalsContact O-CG1 3.23Å; L314-I318 WeakPolarHBondContact O-CG1 3.43Å; L314-I318 PolarHBondContact O-N 3.05Å; Q315-I318 PolarHBondContact O-N 2.87Å; E316-I318 PolarHBondContact O-N 3.4Å; I318-L321 PolarHBondContact O-N 2.93Å; I318-H322 VanDerWaalsContact CG2-CE1 3.49Å; I318-H322 WeakPolarHBondContact CG2-CE1 3.24Å; I318-H322 WeakPolarHBondContact CG2-ND1 3.38Å; I318-H322 WeakPolarHBondContact O-CB 3.47Å; I318-H322 PolarHBondContact O-N 3.49Å; I318-H322 PolarHBondContact O-ND1 3.35Å
319T78.9Confident74.2Confident70 Ų7095.5 Ų95.543%0.42947%0.469SS..Hα-helixtrans-68.4-42.2178.6-51.80000111.3Q315 E316 K317 H322 R323Q315-T319 WeakPolarHBondContact O-CB 3.34Å; Q315-T319 PolarHBondContact O-N 3.27Å; Q315-T319 PolarHBondContact O-OG1 3.05Å; E316-T319 CarbonylContact O-C 3.59Å; E316-T319 WeakPolarHBondContact O-CB 3.37Å; E316-T319 PolarHBondContact O-N 3.34Å; E316-T319 VanDerWaalsContact O-N 3.15Å; K317-T319 VanDerWaalsContact C-N 3.31Å; T319-H322 PolarHBondContact O-N 2.92Å; T319-R323 WeakPolarHBondContact O-CB 3.44Å; T319-R323 PolarHBondContact O-N 2.78Å
320D77.2Confident73.1Confident48 Ų48101.6 Ų101.626%0.25748%0.479SS..Hα-helixtrans-65.7-39.5174.5-83-10.2000111.4E316 K317 R323 M324E316-D320 WeakPolarHBondContact O-CB 3.41Å; E316-D320 PolarHBondContact O-N 2.85Å; K317-D320 PolarHBondContact O-N 2.87Å; D320-R323 CarbonylContact O-C 3.56Å; D320-R323 PolarHBondContact O-N 3.23Å; D320-R323 IonicContact OD1-CZ 2.66Å; D320-R323 IonicContact OD1-NH1 3.35Å; D320-R323 PolarHBondContact OD1-NH1 2.96Å; D320-R323 IonicContact OD1-NH2 2.71Å; D320-M324 WeakPolarHBondContact O-CB 3.39Å; D320-M324 VanDerWaalsContact O-CG 3.23Å; D320-M324 WeakPolarHBondContact O-CG 3.23Å; D320-M324 PolarHBondContact O-N 3.14Å
321L76.1Confident71.9Confident108 Ų108101.7 Ų101.757%0.56548%0.483SS*.Hα-helixtrans-63.1-46.5173.6-171.471.1000110.8K317 I318 R323 M324 V325K317-L321 WeakPolarHBondContact O-CB 3.38Å; K317-L321 PolarHBondContact O-N 3.26Å; I318-L321 PolarHBondContact O-N 2.93Å; L321-R323 VanDerWaalsContact C-N 3.3Å; L321-R323 PolarHBondContact O-N 2.71Å; L321-M324 PolarHBondContact O-N 3.3Å; L321-V325 HydrophobicContact CG-CG2 4.49Å; L321-V325 WeakPolarHBondContact O-CB 3.35Å; L321-V325 VanDerWaalsContact O-CG2 3.25Å; L321-V325 WeakPolarHBondContact O-CG2 3.3Å; L321-V325 PolarHBondContact O-N 3.45Å
322H71.4Confident70.4Confident118 Ų118104.5 Ų104.555%0.54649%0.492SS..Hα-helixtrans-57.5-43.8172.5-80.497.5000111.3I318 T319 M324 V325 E326I318-H322 VanDerWaalsContact CG2-CE1 3.49Å; I318-H322 WeakPolarHBondContact CG2-CE1 3.24Å; I318-H322 WeakPolarHBondContact CG2-ND1 3.38Å; I318-H322 WeakPolarHBondContact O-CB 3.47Å; I318-H322 PolarHBondContact O-N 3.49Å; I318-H322 PolarHBondContact O-ND1 3.35Å; T319-H322 PolarHBondContact O-N 2.92Å; H322-M324 VanDerWaalsContact C-N 3.32Å; H322-M324 PolarHBondContact O-N 2.85Å; H322-V325 PolarHBondContact O-N 3.42Å; H322-E326 WeakPolarHBondContact O-CB 3.48Å; H322-E326 WeakPolarHBondContact O-CG 3.3Å; H322-E326 PolarHBondContact O-N 3.34Å
323R73.9Confident68.7Low127 Ų127107.2 Ų107.248%0.47951%0.505SS..Hα-helixtrans-69-29.3179.4-154.9-171.7-61.6129.63112.5T319 D320 L321 R327T319-R323 WeakPolarHBondContact O-CB 3.44Å; T319-R323 PolarHBondContact O-N 2.78Å; D320-R323 CarbonylContact O-C 3.56Å; D320-R323 PolarHBondContact O-N 3.23Å; D320-R323 IonicContact OD1-CZ 2.66Å; D320-R323 IonicContact OD1-NH1 3.35Å; D320-R323 PolarHBondContact OD1-NH1 2.96Å; D320-R323 IonicContact OD1-NH2 2.71Å; L321-R323 VanDerWaalsContact C-N 3.3Å; L321-R323 PolarHBondContact O-N 2.71Å; R323-R327 VanDerWaalsContact O-CB 3.27Å; R323-R327 WeakPolarHBondContact O-CB 3.48Å; R323-R327 PolarHBondContact O-N 3.09Å
324M67.8Low66.6Low104 Ų104106.6 Ų106.651%0.51251%0.505SS..Hα-helixtrans-75.5-46.3173.9-75.8178.267.600110.7D320 L321 H322 E326 R327 E328D320-M324 WeakPolarHBondContact O-CB 3.39Å; D320-M324 VanDerWaalsContact O-CG 3.23Å; D320-M324 WeakPolarHBondContact O-CG 3.23Å; D320-M324 PolarHBondContact O-N 3.14Å; L321-M324 PolarHBondContact O-N 3.3Å; H322-M324 VanDerWaalsContact C-N 3.32Å; H322-M324 PolarHBondContact O-N 2.85Å; M324-E326 PolarHBondContact O-N 3.04Å; M324-R327 PolarHBondContact O-N 2.87Å; M324-R327 VanDerWaalsContact O-N 3.14Å; M324-E328 WeakPolarHBondContact O-CG 3.45Å; M324-E328 PolarHBondContact O-N 3.26Å
325V64.4Low64.6Low81 Ų81108.1 Ų108.149%0.49152%0.52SS..Hα-helixtrans-58.1-47.5173.6172.20000110.3L321 H322 R327 E328 C329L321-V325 HydrophobicContact CG-CG2 4.49Å; L321-V325 WeakPolarHBondContact O-CB 3.35Å; L321-V325 VanDerWaalsContact O-CG2 3.25Å; L321-V325 WeakPolarHBondContact O-CG2 3.3Å; L321-V325 PolarHBondContact O-N 3.45Å; H322-V325 PolarHBondContact O-N 3.42Å; V325-R327 VanDerWaalsContact C-N 3.29Å; V325-R327 PolarHBondContact O-N 3.33Å; V325-E328 PolarHBondContact O-N 3.37Å; V325-C329 VanDerWaalsContact O-CB 3.29Å; V325-C329 WeakPolarHBondContact O-CB 3.37Å; V325-C329 PolarHBondContact O-N 3.42Å; V325-C329 PolarHBondContact O-SG 2.92Å
326E63.2Low62.5Low112 Ų112110 Ų11052%0.52353%0.534SS..Hα-helixtrans-60.3-36.2175.9-81.3-176.4173.600113.2H322 M324 R330H322-E326 WeakPolarHBondContact O-CB 3.48Å; H322-E326 WeakPolarHBondContact O-CG 3.3Å; H322-E326 PolarHBondContact O-N 3.34Å; M324-E326 PolarHBondContact O-N 3.04Å; E326-R330 WeakPolarHBondContact O-CB 3.49Å; E326-R330 PolarHBondContact O-N 2.92Å; E326-R330 VanDerWaalsContact O-N 3.15Å
327R65.7Low60.2Low131 Ų131108.6 Ų108.649%0.49454%0.539SS..Hα-helixtrans-73.3-42.9179.9-170.8-170.9-44.5169.810.3111.4R323 M324 V325 R330 N331R323-R327 VanDerWaalsContact O-CB 3.27Å; R323-R327 WeakPolarHBondContact O-CB 3.48Å; R323-R327 PolarHBondContact O-N 3.09Å; M324-R327 PolarHBondContact O-N 2.87Å; M324-R327 VanDerWaalsContact O-N 3.14Å; V325-R327 VanDerWaalsContact C-N 3.29Å; V325-R327 PolarHBondContact O-N 3.33Å; R327-R330 WeakPolarHBondContact O-CB 3.39Å; R327-R330 PolarHBondContact O-N 2.95Å; R327-N331 PolarHBondContact O-N 3.06Å
328E59.7Low58Low90 Ų90111.9 Ų111.942%0.42156%0.556SS.*Hα-helixtrans-71.6-38.7177.7-63.5-50140.400111.7M324 V325 R330 N331 F332M324-E328 WeakPolarHBondContact O-CG 3.45Å; M324-E328 PolarHBondContact O-N 3.26Å; V325-E328 PolarHBondContact O-N 3.37Å; E328-R330 PolarHBondContact O-N 3.49Å; E328-N331 PolarHBondContact O-N 3.41Å; E328-N331 VanDerWaalsContact O-N 3.14Å; E328-F332 PolarHBondContact O-N 3.4Å
329C49.3Very low55.9Low46 Ų46116.6 Ų116.631%0.31158%0.576SS.*Hα-helixtrans-57.6-37169.2-72.50000111.7V325 H333V325-C329 VanDerWaalsContact O-CB 3.29Å; V325-C329 WeakPolarHBondContact O-CB 3.37Å; V325-C329 PolarHBondContact O-N 3.42Å; V325-C329 PolarHBondContact O-SG 2.92Å; C329-H333 PolarHBondContact O-N 3.32Å
330R58.9Low53.6Low187 Ų187118 Ų11871%0.70660%0.595SS**Hα-helixtrans-71.8-34.6176.5-133.3178.2-74.6-155.9-2.5113.2E326 R327 E328E326-R330 WeakPolarHBondContact O-CB 3.49Å; E326-R330 PolarHBondContact O-N 2.92Å; E326-R330 VanDerWaalsContact O-N 3.15Å; R327-R330 WeakPolarHBondContact O-CB 3.39Å; R327-R330 PolarHBondContact O-N 2.95Å; E328-R330 PolarHBondContact O-N 3.49Å
331N58.4Low51.4Low108 Ų108118.7 Ų118.758%0.57861%0.614SS**Hα-helixtrans-77.4-29.6-178.2-75.2-17.8000113.1R327 E328R327-N331 PolarHBondContact O-N 3.06Å; E328-N331 PolarHBondContact O-N 3.41Å; E328-N331 VanDerWaalsContact O-N 3.14Å
332F48.2Very low49.3Very low143 Ų143121.3 Ų121.363%0.62763%0.629SS**Hα-helixtrans-98.70.6-178-75.4-83.6000115.3E328 I334E328-F332 PolarHBondContact O-N 3.4Å; F332-I334 HydrophobicContact CB-CD1 3.72Å; F332-I334 HydrophobicContact CB-CG1 4.08Å; F332-I334 WeakPolarHBondContact O-CG1 3.36Å; F332-I334 PolarHBondContact O-N 2.73Å
333H46.8Very low47.9Very low176 Ų176123 Ų12382%0.81564%0.642SS**THydrogen-bonded Turntrans51.728.7-179.6-80.375.7000113.9C329C329-H333 PolarHBondContact O-N 3.32Å
334I37.6Very low46.6Very low85 Ų85125.5 Ų125.544%0.43666%0.659SS.*  trans-97.1115.9178-64.2165.1000107.3F332 D336 A337F332-I334 HydrophobicContact CB-CD1 3.72Å; F332-I334 HydrophobicContact CB-CG1 4.08Å; F332-I334 WeakPolarHBondContact O-CG1 3.36Å; F332-I334 PolarHBondContact O-N 2.73Å; I334-D336 PolarHBondContact O-N 3.43Å; I334-A337 HydrophobicContact CG2-CB 4.25Å
335P39.8Very low45.5Very low122 Ų122128.1 Ų128.179%0.79267%0.674SS**SBendtrans-63.4122.4163.8-9.124.3000108.1A337P335-A337 PolarHBondContact O-N 2.91Å
336D33.4Very low44.7Very low152 Ų152131.1 Ų131.181%0.81369%0.686SS**SBendtrans1394.5175-70.5-26.3000116I334I334-D336 PolarHBondContact O-N 3.43Å
337A33.1Very low44.2Very low70 Ų70130.8 Ų130.858%0.57970%0.696SS**  trans-156.3124162.100000113I334 P335I334-A337 HydrophobicContact CG2-CB 4.25Å; P335-A337 PolarHBondContact O-N 2.91Å
338E35.3Very low43.6Very low180 Ų180133.4 Ų133.484%0.84171%0.711SS**  trans-43143.4156.1-59.4166.9155.300111.6
339Q34.4Very low43Very low190 Ų190135.8 Ų135.889%0.88872%0.724SS**  trans98.393.9168.1-53.6174.410.700118.3
340A30.2Very low43.1Very low99 Ų99138 Ų13882%0.81874%0.737SS**  trans175.4122.8137.400000105.8
341G31.6Very low42.9Very low64 Ų64133.9 Ų133.966%0.6674%0.736SS**  cis77.383.337.500000108.3
342D32.2Very low42.7Very low163 Ų163134.8 Ų134.887%0.87274%0.74SS**  trans-166.3132.3151.7-92.5-23.8000113.6E344D342-E344 PolarHBondContact O-N 3.19Å
343D42.8Very low43.2Very low153 Ų153133.5 Ų133.582%0.81874%0.739SS**SBendtrans-88.449.9-163.6-156.313.7000112.3
344E46.2Very low43.9Very low180 Ų180132.2 Ų132.284%0.84173%0.734SS**  trans-13716.2-177.6-134.7175.6-173.500116.3D342D342-E344 PolarHBondContact O-N 3.19Å
345L43.5Very low45.2Very low158 Ų158133.6 Ų133.683%0.82774%0.742SS**G310 helixtrans-84.9-3.8175.9-92.6154.2000114.9S347L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 3.49Å
346I47.4Very low46.6Very low144 Ų144134.5 Ų134.574%0.73874%0.736SS**G310 helixtrans-77.9-10.1-171.4-64.7178000113.8
347S52.8Low48.4Very low106 Ų106134.1 Ų134.174%0.74173%0.731SS**G310 helixtrans-84.3-16.3-173.1-1730000116.2L345L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 3.49Å
348K52.8Low50.3Low186 Ų186134.1 Ų134.181%0.80973%0.726SS**SBendtrans-109.26.4-172.2-77.6-176.3179.1174.40117.3P350K348-P350 VanDerWaalsContact C-CD 3.48Å
349M47.1Very low52.3Low140 Ų140130.4 Ų130.469%0.6971%0.712SS**SBendtrans-71.1-29176-87.1-134.3169.200117.4C351 L352M349-C351 VanDerWaalsContact C-N 3.3Å; M349-C351 PolarHBondContact O-N 2.87Å; M349-L352 PolarHBondContact O-N 3.45Å
350P53.2Low54.3Low92 Ų92128.7 Ų128.760%0.59770%0.702SS**THydrogen-bonded Turntrans-66.4-25.8-171.7-23.433.2000115.3K348K348-P350 VanDerWaalsContact C-CD 3.48Å
351C52.8Low56.6Low101 Ų101126.9 Ų126.968%0.68269%0.687SS**THydrogen-bonded Turntrans-79.3-24.1-176.5-156.90000113.2M349M349-C351 VanDerWaalsContact C-N 3.3Å; M349-C351 PolarHBondContact O-N 2.87Å
352L54.5Low59Low127 Ų127126.4 Ų126.467%0.66568%0.677SS**Hα-helixtrans-81.6-25.2-178.9-66.8172.4000112.8M349 Q354M349-L352 PolarHBondContact O-N 3.45Å; L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3.07Å
353L58.5Low61.2Low115 Ų115126 Ų12660%0.60267%0.668SS**Hα-helixtrans-68.6-25.6178.3-77165000112.8M357L353-M357 VanDerWaalsContact O-CG 3.31Å; L353-M357 WeakPolarHBondContact O-CG 3.39Å; L353-M357 PolarHBondContact O-N 3.38Å
354Q62.4Low63Low150 Ų150124.6 Ų124.670%0.70166%0.655SS**Hα-helixtrans-79.3-35.6-175.4-165.7158.5-3.100113L352L352-Q354 VanDerWaalsContact C-N 3.27Å; L352-Q354 PolarHBondContact O-N 3.07Å
355D64.6Low64.8Low113 Ų113122.5 Ų122.560%0.60464%0.642SS**Hα-helixtrans-70.7-40176.7-80.9-14.4000112.1M357 S358 N359D355-M357 PolarHBondContact O-N 3.33Å; D355-S358 PolarHBondContact O-N 2.93Å; D355-S358 PolarHBondContact O-OG 3.44Å; D355-N359 PolarHBondContact O-N 2.95Å
356E68.9Low66.7Low141 Ų141122.1 Ų122.166%0.65963%0.634SS**Hα-helixtrans-60.6-41.5176.2-85-81.5147.300112.5S358 N359 F360E356-S358 VanDerWaalsContact C-N 3.29Å; E356-S358 PolarHBondContact O-N 2.92Å; E356-N359 PolarHBondContact O-N 3.25Å; E356-F360 PolarHBondContact O-N 2.98Å
357M71.5Confident68.3Low144 Ų144122 Ų12271%0.70963%0.63SS**Hα-helixtrans-63.8-33.1177.8-73.9-175.772.100112.8L353 D355 A361L353-M357 VanDerWaalsContact O-CG 3.31Å; L353-M357 WeakPolarHBondContact O-CG 3.39Å; L353-M357 PolarHBondContact O-N 3.38Å; D355-M357 PolarHBondContact O-N 3.33Å; M357-A361 PolarHBondContact O-N 3.5Å
358S74.1Confident69.8Low70 Ų70122.4 Ų122.449%0.4962%0.62SS.*Hα-helixtrans-68.3-38.6177.982.30000112.4D355 E356 A361 A362D355-S358 PolarHBondContact O-N 2.93Å; D355-S358 PolarHBondContact O-OG 3.44Å; E356-S358 VanDerWaalsContact C-N 3.29Å; E356-S358 PolarHBondContact O-N 2.92Å; S358-A361 PolarHBondContact O-N 3.43Å; S358-A362 PolarHBondContact O-N 3.34Å
359N76.5Confident71.3Confident102 Ų102119 Ų11955%0.54561%0.607SS.*Hα-helixtrans-69.3-36.9178.3-84.5-27.8000112.5D355 E356 A362 K363D355-N359 PolarHBondContact O-N 2.95Å; E356-N359 PolarHBondContact O-N 3.25Å; N359-A362 PolarHBondContact O-N 2.95Å; N359-K363 PolarHBondContact O-N 3.34Å; N359-K363 VanDerWaalsContact O-N 3.17Å
360F76.7Confident73.1Confident154 Ų154118.4 Ų118.468%0.67560%0.604SS**Hα-helixtrans-66.6-40.3177.6-155.9-87.4000111.8E356 A362 K363 K364E356-F360 PolarHBondContact O-N 2.98Å; F360-A362 VanDerWaalsContact C-N 3.32Å; F360-A362 PolarHBondContact O-N 2.97Å; F360-K363 PolarHBondContact O-N 3.36Å; F360-K364 PolarHBondContact O-N 3.44Å
361A79.1Confident74.6Confident61 Ų61121 Ų12150%0.50461%0.606SS.*Hα-helixtrans-60.7-40.5175.200000112M357 S358 K365M357-A361 PolarHBondContact O-N 3.5Å; S358-A361 PolarHBondContact O-N 3.43Å; A361-K365 PolarHBondContact O-N 3.23Å
362A80.6Confident76.3Confident55 Ų55124 Ų12446%0.45561%0.605SS.*Hα-helixtrans-65.8-40.3177.400000113.2S358 N359 F360 K366S358-A362 PolarHBondContact O-N 3.34Å; N359-A362 PolarHBondContact O-N 2.95Å; F360-A362 VanDerWaalsContact C-N 3.32Å; F360-A362 PolarHBondContact O-N 2.97Å; A362-K366 PolarHBondContact O-N 3.35Å
363K79.2Confident77.9Confident153 Ų153122 Ų12267%0.66560%0.595SS**Hα-helixtrans-67.9-40.9176.5-78.3-178.9-179.9173.80112.6N359 F360 K365 K366 H367N359-K363 PolarHBondContact O-N 3.34Å; N359-K363 VanDerWaalsContact O-N 3.17Å; F360-K363 PolarHBondContact O-N 3.36Å; K363-K365 VanDerWaalsContact C-N 3.33Å; K363-K365 PolarHBondContact O-N 2.95Å; K363-K366 PolarHBondContact O-N 3.18Å; K363-H367 PolarHBondContact O-N 3.48Å; K363-H367 VanDerWaalsContact O-N 3.13Å
364K81Confident79.2Confident125 Ų125120.4 Ų120.454%0.54359%0.589SS.*Hα-helixtrans-59.5-44.1177.8-174.2177.6175.6-177.70111.6F360 K366 H367 E368F360-K364 PolarHBondContact O-N 3.44Å; K364-K366 PolarHBondContact O-N 3.28Å; K364-H367 PolarHBondContact O-N 2.98Å; K364-E368 VanDerWaalsContact CE-OE1 3.3Å; K364-E368 WeakPolarHBondContact CE-OE1 3.4Å; K364-E368 PolarHBondContact O-N 3.44Å
365K84Confident80.3Confident135 Ų135119.4 Ų119.459%0.58758%0.583SS**Hα-helixtrans-60.1-43.3177-169.3178.4177.7-178.10112.6A361 K363 H367 E368 E369A361-K365 PolarHBondContact O-N 3.23Å; K363-K365 VanDerWaalsContact C-N 3.33Å; K363-K365 PolarHBondContact O-N 2.95Å; K365-H367 PolarHBondContact O-N 3.41Å; K365-E368 PolarHBondContact O-N 2.98Å; K365-E369 PolarHBondContact O-N 3.1Å
366K83.9Confident81.4Confident150 Ų150118.2 Ų118.265%0.65257%0.573SS**Hα-helixtrans-63-38.8176.1-76.2-175.1176.1-178.80113.2A362 K363 K364 E369 M370A362-K366 PolarHBondContact O-N 3.35Å; K363-K366 PolarHBondContact O-N 3.18Å; K364-K366 PolarHBondContact O-N 3.28Å; K366-E369 PolarHBondContact O-N 3.41Å; K366-M370 WeakPolarHBondContact O-CB 3.43Å; K366-M370 PolarHBondContact O-N 2.89Å
367H80.5Confident82.4Confident141 Ų141117.3 Ų117.365%0.65357%0.567SS**Hα-helixtrans-69-38.2177.5-102.5-101.3000112.5K363 K364 K365 M370 K371K363-H367 PolarHBondContact O-N 3.48Å; K363-H367 VanDerWaalsContact O-N 3.13Å; K364-H367 PolarHBondContact O-N 2.98Å; K365-H367 PolarHBondContact O-N 3.41Å; H367-M370 PolarHBondContact O-N 2.94Å; H367-K371 WeakPolarHBondContact O-CB 3.2Å; H367-K371 PolarHBondContact O-N 2.85Å
368E83.1Confident83.2Confident116 Ų116114.6 Ų114.654%0.54255%0.554SS.*Hα-helixtrans-63.9-41.4174.8-78.5169.6175.600111.4K364 K365 K371 Y372K364-E368 VanDerWaalsContact CE-OE1 3.3Å; K364-E368 WeakPolarHBondContact CE-OE1 3.4Å; K364-E368 PolarHBondContact O-N 3.44Å; K365-E368 PolarHBondContact O-N 2.98Å; E368-K371 PolarHBondContact O-N 3.23Å; E368-Y372 WeakPolarHBondContact O-CB 3.43Å; E368-Y372 PolarHBondContact O-N 3.24Å
369E85.6Confident83.9Confident114 Ų114117.3 Ų117.353%0.53356%0.56SS.*Hα-helixtrans-61.6-44.1172.4-75.9171.9-174.200112.3K365 K366 Y372 N373K365-E369 PolarHBondContact O-N 3.1Å; K366-E369 PolarHBondContact O-N 3.41Å; E369-Y372 PolarHBondContact O-N 2.88Å; E369-N373 WeakPolarHBondContact O-CB 3.38Å; E369-N373 PolarHBondContact O-N 2.95Å
370M85.4Confident84.5Confident127 Ų127117.2 Ų117.263%0.62656%0.556SS**Hα-helixtrans-68.2-38.8-179.2-158.3176.1-83.800112.1K366 H367 Y372 N373 V374K366-M370 WeakPolarHBondContact O-CB 3.43Å; K366-M370 PolarHBondContact O-N 2.89Å; H367-M370 PolarHBondContact O-N 2.94Å; M370-Y372 VanDerWaalsContact C-N 3.35Å; M370-N373 PolarHBondContact O-N 3.43Å; M370-V374 WeakPolarHBondContact O-CG2 3.3Å; M370-V374 PolarHBondContact O-N 3.45Å
371K83.6Confident85Confident147 Ų147115 Ų11564%0.63955%0.551SS**Hα-helixtrans-63.8-39.5174.6-173.2178.7-178.6177.90111.9H367 E368 K375H367-K371 WeakPolarHBondContact O-CB 3.2Å; H367-K371 PolarHBondContact O-N 2.85Å; E368-K371 PolarHBondContact O-N 3.23Å; K371-K375 PolarHBondContact O-N 2.93Å; K371-K375 VanDerWaalsContact O-N 3.11Å
372Y88Confident85.4Confident165 Ų165117.5 Ų117.565%0.64755%0.552SS**Hα-helixtrans-63.3-44.6174.4-176.2-99.7000111.3E368 E369 M370 V374 K375 Q376E368-Y372 WeakPolarHBondContact O-CB 3.43Å; E368-Y372 PolarHBondContact O-N 3.24Å; E369-Y372 PolarHBondContact O-N 2.88Å; M370-Y372 VanDerWaalsContact C-N 3.35Å; Y372-V374 PolarHBondContact O-N 3.45Å; Y372-K375 PolarHBondContact O-N 3.45Å; Y372-Q376 PolarHBondContact O-N 2.91Å
373N88.3Confident85.7Confident85 Ų85118.7 Ų118.746%0.45555%0.554SS.*Hα-helixtrans-64.4-39.4179.4-152.3-17.8000112.6E369 M370 Q376 K377E369-N373 WeakPolarHBondContact O-CB 3.38Å; E369-N373 PolarHBondContact O-N 2.95Å; M370-N373 PolarHBondContact O-N 3.43Å; N373-Q376 PolarHBondContact O-N 3.09Å; N373-K377 WeakPolarHBondContact O-CG 3.24Å; N373-K377 PolarHBondContact O-N 3.46Å; N373-K377 VanDerWaalsContact O-N 3.12Å
374V85.6Confident86.2Confident80 Ų80115.2 Ų115.249%0.48554%0.542SS..Hα-helixtrans-66.1-41.2174.41730000111.7M370 Y372 Q376 K377 I378M370-V374 WeakPolarHBondContact O-CG2 3.3Å; M370-V374 PolarHBondContact O-N 3.45Å; Y372-V374 PolarHBondContact O-N 3.45Å; V374-Q376 VanDerWaalsContact C-N 3.34Å; V374-Q376 PolarHBondContact O-N 3.32Å; V374-K377 PolarHBondContact O-N 3.38Å; V374-I378 HydrophobicContact CG1-CD1 4.04Å; V374-I378 WeakPolarHBondContact O-CG1 3.49Å; V374-I378 PolarHBondContact O-N 3.01Å
375K86.5Confident86.5Confident130 Ų130115.1 Ų115.157%0.56555%0.547SS*.Hα-helixtrans-60.5-43175-84.9-172.5171.5-169.30112.1K371 Y372 K377 I378 E379K371-K375 PolarHBondContact O-N 2.93Å; K371-K375 VanDerWaalsContact O-N 3.11Å; Y372-K375 PolarHBondContact O-N 3.45Å; K375-K377 PolarHBondContact O-N 2.93Å; K375-I378 PolarHBondContact O-N 3.38Å; K375-E379 PolarHBondContact O-N 3Å
376Q88.3Confident86.7Confident88 Ų88115.9 Ų115.941%0.41155%0.55SS.*Hα-helixtrans-60-44.4177-167.2178.210.100111.7Y372 N373 V374 I378 E379 E380Y372-Q376 PolarHBondContact O-N 2.91Å; N373-Q376 PolarHBondContact O-N 3.09Å; V374-Q376 VanDerWaalsContact C-N 3.34Å; V374-Q376 PolarHBondContact O-N 3.32Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.48Å; Q376-E379 PolarHBondContact O-N 3.49Å; Q376-E380 WeakPolarHBondContact O-CG 3.34Å; Q376-E380 PolarHBondContact O-N 2.86Å
377K89.6Confident87Confident122 Ų122116.1 Ų116.153%0.5355%0.547SS..Hα-helixtrans-63.7-34.5175.9-71.9-177.9178.6-175.20113.8N373 V374 K375 N381N373-K377 WeakPolarHBondContact O-CG 3.24Å; N373-K377 PolarHBondContact O-N 3.46Å; N373-K377 VanDerWaalsContact O-N 3.12Å; V374-K377 PolarHBondContact O-N 3.38Å; K375-K377 PolarHBondContact O-N 2.93Å; K377-N381 WeakPolarHBondContact O-CB 3.33Å; K377-N381 PolarHBondContact O-N 3.26Å
378I87Confident87.3Confident86 Ų86112.9 Ų112.944%0.44154%0.539SS..Hα-helixtrans-67.9-44.9176.7-69.7169.3000110.3V374 K375 Q376 N381 Q382V374-I378 HydrophobicContact CG1-CD1 4.04Å; V374-I378 WeakPolarHBondContact O-CG1 3.49Å; V374-I378 PolarHBondContact O-N 3.01Å; K375-I378 PolarHBondContact O-N 3.38Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 3.48Å; I378-N381 PolarHBondContact O-N 2.91Å; I378-Q382 WeakPolarHBondContact O-CG 3.43Å; I378-Q382 PolarHBondContact O-N 3.41Å
379E89.1Confident87.6Confident128 Ų128111.4 Ų111.460%0.59854%0.539SS*.Hα-helixtrans-61.8-43.6175.4-76.8179.1177.300111.4K375 Q376 N381 Q382 T383K375-E379 PolarHBondContact O-N 3Å; Q376-E379 PolarHBondContact O-N 3.49Å; E379-N381 PolarHBondContact O-N 3.37Å; E379-Q382 PolarHBondContact O-N 3.13Å; E379-T383 WeakPolarHBondContact O-CG2 3.34Å; E379-T383 PolarHBondContact O-N 2.71Å
380E88.8Confident87.7Confident100 Ų100113 Ų11347%0.46754%0.544SS..Hα-helixtrans-57.1-49.9174-75.7173.5-178.200111.8Q376 Q382 T383 L384Q376-E380 WeakPolarHBondContact O-CG 3.34Å; Q376-E380 PolarHBondContact O-N 2.86Å; E380-Q382 VanDerWaalsContact C-N 3.34Å; E380-Q382 PolarHBondContact O-N 2.83Å; E380-T383 PolarHBondContact O-N 3.31Å; E380-T383 VanDerWaalsContact O-N 3.14Å; E380-T383 PolarHBondContact O-OG1 3.41Å; E380-L384 WeakPolarHBondContact O-CG 3.44Å; E380-L384 PolarHBondContact O-N 3Å
381N88.5Confident87.9Confident107 Ų107110.9 Ų110.957%0.57254%0.535SS*.Hα-helixtrans-63-37.4177.8-80.7-22.9000113K377 I378 E379 T383 L384 L385K377-N381 WeakPolarHBondContact O-CB 3.33Å; K377-N381 PolarHBondContact O-N 3.26Å; I378-N381 PolarHBondContact O-N 2.91Å; E379-N381 PolarHBondContact O-N 3.37Å; N381-T383 VanDerWaalsContact C-N 3.33Å; N381-T383 PolarHBondContact O-N 2.95Å; N381-L384 PolarHBondContact O-N 2.99Å; N381-L385 WeakPolarHBondContact O-CB 3.45Å; N381-L385 PolarHBondContact O-N 2.93Å
382Q87.1Confident88.2Confident113 Ų113108.5 Ų108.553%0.52853%0.529SS..Hα-helixtrans-64.6-37.7174.6-74.4179.62.400111.9I378 E379 E380 K386I378-Q382 WeakPolarHBondContact O-CG 3.43Å; I378-Q382 PolarHBondContact O-N 3.41Å; E379-Q382 PolarHBondContact O-N 3.13Å; E380-Q382 VanDerWaalsContact C-N 3.34Å; E380-Q382 PolarHBondContact O-N 2.83Å; Q382-K386 WeakPolarHBondContact O-CG 3.44Å; Q382-K386 PolarHBondContact O-N 3.49Å
383T86.6Confident88.3Confident80 Ų80104 Ų10449%0.49152%0.521SS..Hα-helixtrans-69.2-37.4174.6640000112.6E379 E380 N381 K386 R387E379-T383 WeakPolarHBondContact O-CG2 3.34Å; E379-T383 PolarHBondContact O-N 2.71Å; E380-T383 PolarHBondContact O-N 3.31Å; E380-T383 VanDerWaalsContact O-N 3.14Å; E380-T383 PolarHBondContact O-OG1 3.41Å; N381-T383 VanDerWaalsContact C-N 3.33Å; N381-T383 PolarHBondContact O-N 2.95Å; T383-K386 PolarHBondContact O-N 3.26Å; T383-R387 PolarHBondContact O-N 3.49Å; T383-R387 VanDerWaalsContact O-N 3.1Å
384L89.7Confident88.5Confident80 Ų80102.8 Ų102.842%0.41952%0.517SS..Hα-helixtrans-65.1-43.1174.3-71.3172.9000111.6E380 N381 K386 R387 C388E380-L384 WeakPolarHBondContact O-CG 3.44Å; E380-L384 PolarHBondContact O-N 3Å; N381-L384 PolarHBondContact O-N 2.99Å; L384-K386 VanDerWaalsContact C-N 3.35Å; L384-K386 PolarHBondContact O-N 3.33Å; L384-R387 WeakPolarHBondContact O-CB 3.25Å; L384-R387 PolarHBondContact O-N 3.35Å; L384-R387 VanDerWaalsContact O-N 3.09Å; L384-C388 PolarHBondContact O-N 2.98Å; L384-C388 PolarHBondContact O-SG 3.46Å; L384-C388 VanDerWaalsContact O-SG 3.39Å
385L88.5Confident88.7Confident123 Ų123104.2 Ų104.264%0.64452%0.521SS*.Hα-helixtrans-60.3-44.6177.7-156.891.1000111.5N381 R387 C388 T389N381-L385 WeakPolarHBondContact O-CB 3.45Å; N381-L385 PolarHBondContact O-N 2.93Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 3.37Å; L385-C388 PolarHBondContact O-N 2.95Å; L385-T389 WeakPolarHBondContact O-CG2 3.3Å; L385-T389 PolarHBondContact O-N 3.36Å; L385-T389 PolarHBondContact O-OG1 2.99Å; L385-T389 VanDerWaalsContact O-OG1 3.11Å
386K87.9Confident89Confident151 Ų151104.9 Ų104.966%0.65752%0.524SS*.Hα-helixtrans-62.6-32.8175.3-72.9177.5-177.4177.50112.9Q382 T383 L384 T389 K390Q382-K386 WeakPolarHBondContact O-CG 3.44Å; Q382-K386 PolarHBondContact O-N 3.49Å; T383-K386 PolarHBondContact O-N 3.26Å; L384-K386 VanDerWaalsContact C-N 3.35Å; L384-K386 PolarHBondContact O-N 3.33Å; K386-T389 WeakPolarHBondContact CA-OG1 3.47Å; K386-T389 PolarHBondContact O-OG1 3.35Å; K386-T389 VanDerWaalsContact O-OG1 3.05Å; K386-K390 PolarHBondContact O-N 3.04Å
387R89.6Confident89.1Confident155 Ų155106.5 Ų106.559%0.58553%0.532SS*.Hα-helixtrans-71.5-49.8175.4-170.8-178.4-63.4167.51.6110.7T383 L384 L385 T389 K390 D391T383-R387 PolarHBondContact O-N 3.49Å; T383-R387 VanDerWaalsContact O-N 3.1Å; L384-R387 WeakPolarHBondContact O-CB 3.25Å; L384-R387 PolarHBondContact O-N 3.35Å; L384-R387 VanDerWaalsContact O-N 3.09Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 3.37Å; R387-T389 VanDerWaalsContact C-N 3.32Å; R387-T389 PolarHBondContact O-N 2.91Å; R387-K390 WeakPolarHBondContact O-CB 3.38Å; R387-K390 PolarHBondContact O-N 3.35Å; R387-K390 VanDerWaalsContact O-N 3.13Å; R387-D391 PolarHBondContact O-N 3.36Å
388C87.6Confident89.2Confident73 Ų73105.6 Ų105.649%0.49353%0.528SS..Hα-helixtrans-60.1-38.3178.8-69.60000112.7L384 L385 D391 L392L384-C388 PolarHBondContact O-N 2.98Å; L384-C388 PolarHBondContact O-SG 3.46Å; L384-C388 VanDerWaalsContact O-SG 3.39Å; L385-C388 PolarHBondContact O-N 2.95Å; C388-D391 PolarHBondContact O-N 2.7Å; C388-L392 WeakPolarHBondContact O-CB 3.47Å; C388-L392 PolarHBondContact O-N 3.03Å
389T87.9Confident89.5Confident86 Ų86105.8 Ų105.853%0.52853%0.533SS..Hα-helixtrans-66.4-36.8176.449.70000112.6L385 K386 R387 S393L385-T389 WeakPolarHBondContact O-CG2 3.3Å; L385-T389 PolarHBondContact O-N 3.36Å; L385-T389 PolarHBondContact O-OG1 2.99Å; L385-T389 VanDerWaalsContact O-OG1 3.11Å; K386-T389 WeakPolarHBondContact CA-OG1 3.47Å; K386-T389 PolarHBondContact O-OG1 3.35Å; K386-T389 VanDerWaalsContact O-OG1 3.05Å; R387-T389 VanDerWaalsContact C-N 3.32Å; R387-T389 PolarHBondContact O-N 2.91Å; T389-S393 PolarHBondContact O-N 3.42Å
390K88.1Confident89.6Confident147 Ų147105.5 Ų105.564%0.63953%0.532SS*.Hα-helixtrans-68.6-41.2173.4-170.5-179.2178.9-177.40112K386 R387 L392 S393 V394K386-K390 PolarHBondContact O-N 3.04Å; R387-K390 WeakPolarHBondContact O-CB 3.38Å; R387-K390 PolarHBondContact O-N 3.35Å; R387-K390 VanDerWaalsContact O-N 3.13Å; K390-L392 VanDerWaalsContact C-N 3.32Å; K390-L392 PolarHBondContact O-N 3.44Å; K390-S393 PolarHBondContact O-N 3.1Å; K390-S393 PolarHBondContact O-OG 2.85Å; K390-V394 WeakPolarHBondContact O-CG2 3.29Å; K390-V394 PolarHBondContact O-N 3.33Å; K390-V394 VanDerWaalsContact O-N 3.13Å
391D90.6Very high89.8Confident82 Ų82105.1 Ų105.144%0.43953%0.53SS..Hα-helixtrans-65.5-37.7177.5-65.5-23.4000111.2R387 C388 S393 V394 L395R387-D391 PolarHBondContact O-N 3.36Å; C388-D391 PolarHBondContact O-N 2.7Å; D391-S393 PolarHBondContact O-N 3.49Å; D391-V394 PolarHBondContact O-N 3.36Å; D391-L395 WeakPolarHBondContact O-CB 3.42Å; D391-L395 WeakPolarHBondContact O-CG 3.46Å; D391-L395 PolarHBondContact O-N 2.93Å
392L89.3Confident90Very high97 Ų97108 Ų10851%0.50853%0.534SS..Hα-helixtrans-61.8-39.6173.1-108.9154.6000112.7C388 K390 K396C388-L392 WeakPolarHBondContact O-CB 3.47Å; C388-L392 PolarHBondContact O-N 3.03Å; K390-L392 VanDerWaalsContact C-N 3.32Å; K390-L392 PolarHBondContact O-N 3.44Å; L392-K396 WeakPolarHBondContact O-CB 3.48Å; L392-K396 VanDerWaalsContact O-CG 3.31Å; L392-K396 WeakPolarHBondContact O-CG 3.16Å; L392-K396 PolarHBondContact O-N 2.91Å
393S90.8Very high90.3Very high70 Ų70106.5 Ų106.549%0.4953%0.527SS..Hα-helixtrans-69.5-37.817873.90000112T389 K390 D391 Q397T389-S393 PolarHBondContact O-N 3.42Å; K390-S393 PolarHBondContact O-N 3.1Å; K390-S393 PolarHBondContact O-OG 2.85Å; D391-S393 PolarHBondContact O-N 3.49Å; S393-Q397 PolarHBondContact O-N 2.98Å; S393-Q397 VanDerWaalsContact O-N 3.14Å
394V91Very high90.6Very high61 Ų61108.1 Ų108.137%0.3753%0.531SS..Hα-helixtrans-67.4-42.2175174.50000111.6K390 D391 Q397 K398K390-V394 WeakPolarHBondContact O-CG2 3.29Å; K390-V394 PolarHBondContact O-N 3.33Å; K390-V394 VanDerWaalsContact O-N 3.13Å; D391-V394 PolarHBondContact O-N 3.36Å; V394-Q397 PolarHBondContact O-N 2.93Å; V394-K398 HydrophobicContact CG1-CD 4.49Å; V394-K398 WeakPolarHBondContact O-CG 3.46Å; V394-K398 PolarHBondContact O-N 3.42Å
395L91.3Very high90.7Very high109 Ų109108.3 Ų108.357%0.57153%0.529SS*.Hα-helixtrans-62.7-44.5176.4-82.4160.9000111.3D391 Q397 K398 T399D391-L395 WeakPolarHBondContact O-CB 3.42Å; D391-L395 WeakPolarHBondContact O-CG 3.46Å; D391-L395 PolarHBondContact O-N 2.93Å; L395-Q397 VanDerWaalsContact C-N 3.32Å; L395-Q397 PolarHBondContact O-N 3.44Å; L395-K398 PolarHBondContact O-N 3.27Å; L395-T399 PolarHBondContact O-N 3.4Å; L395-T399 PolarHBondContact O-OG1 3.03Å
396K91.6Very high90.9Very high145 Ų145108.4 Ų108.463%0.6352%0.521SS*.Hα-helixtrans-57.9-43175.5-78179.2175.6-172.80112.4L392 T399 E400L392-K396 WeakPolarHBondContact O-CB 3.48Å; L392-K396 VanDerWaalsContact O-CG 3.31Å; L392-K396 WeakPolarHBondContact O-CG 3.16Å; L392-K396 PolarHBondContact O-N 2.91Å; K396-T399 PolarHBondContact O-N 3.03Å; K396-E400 PolarHBondContact O-N 3.4Å; K396-E400 VanDerWaalsContact O-N 3.14Å
397Q90.2Very high91.2Very high122 Ų122105.1 Ų105.157%0.5751%0.514SS*.Hα-helixtrans-63.4-44.2176.5-174.1-178.7-5.700111.9S393 V394 L395 T399 E400 E401S393-Q397 PolarHBondContact O-N 2.98Å; S393-Q397 VanDerWaalsContact O-N 3.14Å; V394-Q397 PolarHBondContact O-N 2.93Å; L395-Q397 VanDerWaalsContact C-N 3.32Å; L395-Q397 PolarHBondContact O-N 3.44Å; Q397-T399 VanDerWaalsContact C-N 3.33Å; Q397-T399 PolarHBondContact O-N 3.33Å; Q397-E400 PolarHBondContact O-N 2.92Å; Q397-E401 PolarHBondContact NE2-OE1 3.44Å; Q397-E401 WeakPolarHBondContact O-CG 3.25Å; Q397-E401 PolarHBondContact O-N 3.23Å
398K92.3Very high91.3Very high102 Ų102104.5 Ų104.544%0.44351%0.511SS..Hα-helixtrans-64-37.1176.6-73.1-177.5177.6-1760112.7V394 L395 E400 E401 Y402V394-K398 HydrophobicContact CG1-CD 4.49Å; V394-K398 WeakPolarHBondContact O-CG 3.46Å; V394-K398 PolarHBondContact O-N 3.42Å; L395-K398 PolarHBondContact O-N 3.27Å; K398-E400 VanDerWaalsContact C-N 3.34Å; K398-E401 PolarHBondContact O-N 2.99Å; K398-Y402 HydrophobicContact CB-CD2 4.47Å; K398-Y402 HydrophobicContact CB-CE2 4.16Å; K398-Y402 WeakPolarHBondContact O-CD2 3.38Å; K398-Y402 PolarHBondContact O-N 2.95Å
399T92.7Very high91.4Very high90 Ų90105.9 Ų105.955%0.55251%0.513SS*.Hα-helixtrans-61.9-43.6175.9-53.90000111L395 K396 Q397 Y402 E403L395-T399 PolarHBondContact O-N 3.4Å; L395-T399 PolarHBondContact O-OG1 3.03Å; K396-T399 PolarHBondContact O-N 3.03Å; Q397-T399 VanDerWaalsContact C-N 3.33Å; Q397-T399 PolarHBondContact O-N 3.33Å; T399-Y402 PolarHBondContact O-N 2.71Å; T399-E403 WeakPolarHBondContact O-CB 3.35Å; T399-E403 PolarHBondContact O-N 3.23Å
400E92Very high91.6Very high122 Ų122106 Ų10657%0.5751%0.507SS*.Hα-helixtrans-63.6-41.9175.9-166.666.3-159.500111.9K396 Q397 K398 E403 M404K396-E400 PolarHBondContact O-N 3.4Å; K396-E400 VanDerWaalsContact O-N 3.14Å; Q397-E400 PolarHBondContact O-N 2.92Å; K398-E400 VanDerWaalsContact C-N 3.34Å; E400-E403 PolarHBondContact O-N 2.95Å; E400-M404 HydrophobicContact CG-CE 4.49Å; E400-M404 WeakPolarHBondContact O-CG 3.4Å; E400-M404 PolarHBondContact O-N 3.45Å
401E91.6Very high91.7Very high93 Ų93106.6 Ų106.644%0.43551%0.505SS..Hα-helixtrans-62.2-42.9175.6-73.1170.9-170.500112.2Q397 K398 M404 E405Q397-E401 PolarHBondContact NE2-OE1 3.44Å; Q397-E401 WeakPolarHBondContact O-CG 3.25Å; Q397-E401 PolarHBondContact O-N 3.23Å; K398-E401 PolarHBondContact O-N 2.99Å; E401-M404 HydrophobicContact CG-CE 4.42Å; E401-M404 PolarHBondContact O-N 3.46Å; E401-E405 PolarHBondContact O-N 3.35Å; E401-E405 VanDerWaalsContact O-N 3.08Å
402Y93.4Very high91.7Very high166 Ų166108.1 Ų108.165%0.65151%0.508SS*.Hα-helixtrans-67.5-35.6176.1-69.1-43.9000112.6K398 T399 E405 R406K398-Y402 HydrophobicContact CB-CD2 4.47Å; K398-Y402 HydrophobicContact CB-CE2 4.16Å; K398-Y402 WeakPolarHBondContact O-CD2 3.38Å; K398-Y402 PolarHBondContact O-N 2.95Å; T399-Y402 PolarHBondContact O-N 2.71Å; Y402-E405 PolarHBondContact O-N 3.24Å; Y402-R406 VanDerWaalsContact O-CB 3.32Å; Y402-R406 WeakPolarHBondContact O-CB 3.35Å; Y402-R406 PolarHBondContact O-N 3.42Å
403E93.4Very high91.7Very high82 Ų82109.6 Ų109.638%0.38351%0.514SS..Hα-helixtrans-67.8-42.7176.6-165.759.2-152.400111.3T399 E400 E405 R406 V407T399-E403 WeakPolarHBondContact O-CB 3.35Å; T399-E403 PolarHBondContact O-N 3.23Å; E400-E403 PolarHBondContact O-N 2.95Å; E403-E405 VanDerWaalsContact C-N 3.35Å; E403-E405 PolarHBondContact O-N 3.04Å; E403-R406 PolarHBondContact O-N 2.69Å; E403-R406 IonicContact OE1-CZ 3.46Å; E403-R406 IonicContact OE1-NH1 2.73Å; E403-R406 PolarHBondContact OE1-NH1 2.96Å; E403-R406 IonicContact OE2-NH1 3.93Å; E403-V407 WeakPolarHBondContact O-CG2 3.46Å; E403-V407 PolarHBondContact O-N 2.83Å
404M92.1Very high91.6Very high115 Ų115111.7 Ų111.757%0.56752%0.52SS*.Hα-helixtrans-60.3-42173.5-74.7-169.6-70.300112.6E400 E401 R408E400-M404 HydrophobicContact CG-CE 4.49Å; E400-M404 WeakPolarHBondContact O-CG 3.4Å; E400-M404 PolarHBondContact O-N 3.45Å; E401-M404 HydrophobicContact CG-CE 4.42Å; E401-M404 PolarHBondContact O-N 3.46Å; M404-R408 WeakPolarHBondContact O-CB 3.33Å; M404-R408 PolarHBondContact O-N 2.92Å; M404-R408 VanDerWaalsContact O-N 3.1Å
405E92.3Very high91.4Very high84 Ų84113.5 Ų113.539%0.39352%0.524SS..Hα-helixtrans-71.9-34.6178.1-16859.4-151.400112E401 Y402 E403 R408 I409E401-E405 PolarHBondContact O-N 3.35Å; E401-E405 VanDerWaalsContact O-N 3.08Å; Y402-E405 PolarHBondContact O-N 3.24Å; E403-E405 VanDerWaalsContact C-N 3.35Å; E403-E405 PolarHBondContact O-N 3.04Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 3.19Å; E405-R408 IonicContact OE2-NH1 3.08Å; E405-I409 HydrophobicContact CG-CD1 4.21Å; E405-I409 WeakPolarHBondContact O-CG1 3.41Å; E405-I409 PolarHBondContact O-N 3.48Å
406R93.4Very high91.2Very high125 Ų125113 Ų11347%0.47252%0.522SS..Hα-helixtrans-59.3-49.9172.6179.2-174.6160.8-118.5-12.4111.3Y402 E403 R408 I409 E410Y402-R406 VanDerWaalsContact O-CB 3.32Å; Y402-R406 WeakPolarHBondContact O-CB 3.35Å; Y402-R406 PolarHBondContact O-N 3.42Å; E403-R406 PolarHBondContact O-N 2.69Å; E403-R406 IonicContact OE1-CZ 3.46Å; E403-R406 IonicContact OE1-NH1 2.73Å; E403-R406 PolarHBondContact OE1-NH1 2.96Å; E403-R406 IonicContact OE2-NH1 3.93Å; R406-R408 VanDerWaalsContact C-N 3.25Å; R406-R408 PolarHBondContact O-N 2.71Å; R406-I409 PolarHBondContact O-N 2.87Å; R406-E410 IonicContact CZ-OE1 3.66Å; R406-E410 IonicContact NE-OE1 2.69Å; R406-E410 PolarHBondContact NE-OE1 2.66Å; R406-E410 IonicContact NH2-OE1 2.7Å; R406-E410 PolarHBondContact NH2-OE1 3.45Å; R406-E410 IonicContact NH2-OE2 3.48Å; R406-E410 PolarHBondContact O-N 3.02Å
407V93.2Very high90.9Very high82 Ų82109 Ų10950%0.49751%0.512SS..Hα-helixtrans-59.9-38.1176.8172.40000111E403 E410 R411E403-V407 WeakPolarHBondContact O-CG2 3.46Å; E403-V407 PolarHBondContact O-N 2.83Å; V407-E410 PolarHBondContact O-N 3.48Å; V407-R411 PolarHBondContact O-N 3.3Å
408R92.7Very high90.7Very high142 Ų142105.9 Ų105.954%0.53650%0.504SS..Hα-helixtrans-64.9-42176.3-170.1-175.1-170.41743.7112.6M404 E405 R406 R411 K412M404-R408 WeakPolarHBondContact O-CB 3.33Å; M404-R408 PolarHBondContact O-N 2.92Å; M404-R408 VanDerWaalsContact O-N 3.1Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 3.19Å; E405-R408 IonicContact OE2-NH1 3.08Å; R406-R408 VanDerWaalsContact C-N 3.25Å; R406-R408 PolarHBondContact O-N 2.71Å; R408-R411 PolarHBondContact O-N 3.43Å; R408-K412 PolarHBondContact O-N 3.3Å
409I90.4Very high90.2Very high102 Ų102103 Ų10352%0.52350%0.499SS..Hα-helixtrans-67.6-43.4177.3-69169.1000110.4E405 R406 R411 K412 M413E405-I409 HydrophobicContact CG-CD1 4.21Å; E405-I409 WeakPolarHBondContact O-CG1 3.41Å; E405-I409 PolarHBondContact O-N 3.48Å; R406-I409 PolarHBondContact O-N 2.87Å; I409-R411 VanDerWaalsContact C-N 3.31Å; I409-R411 PolarHBondContact O-N 2.94Å; I409-K412 PolarHBondContact O-N 3.25Å; I409-M413 WeakPolarHBondContact O-CB 3.09Å; I409-M413 PolarHBondContact O-N 3.22Å
410E91Very high90.1Very high87 Ų87102.6 Ų102.641%0.40750%0.496SS..Hα-helixtrans-58.3-42.3174.7-82.7177.6178.800111.7R406 V407 K412 M413 N414R406-E410 IonicContact CZ-OE1 3.66Å; R406-E410 IonicContact NE-OE1 2.69Å; R406-E410 PolarHBondContact NE-OE1 2.66Å; R406-E410 IonicContact NH2-OE1 2.7Å; R406-E410 PolarHBondContact NH2-OE1 3.45Å; R406-E410 IonicContact NH2-OE2 3.48Å; R406-E410 PolarHBondContact O-N 3.02Å; V407-E410 PolarHBondContact O-N 3.48Å; E410-K412 PolarHBondContact O-N 2.96Å; E410-M413 PolarHBondContact O-N 3.49Å; E410-N414 PolarHBondContact O-N 3.29Å
411R90.5Very high89.8Confident161 Ų161100.3 Ų100.361%0.60849%0.493SS*.Hα-helixtrans-60.3-46.7175.7-159.5-169.586.3179.42.2112.1V407 R408 I409 M413 N414 E415V407-R411 PolarHBondContact O-N 3.3Å; R408-R411 PolarHBondContact O-N 3.43Å; I409-R411 VanDerWaalsContact C-N 3.31Å; I409-R411 PolarHBondContact O-N 2.94Å; R411-M413 VanDerWaalsContact C-N 3.31Å; R411-M413 PolarHBondContact O-N 3.18Å; R411-N414 PolarHBondContact O-N 3.25Å; R411-E415 IonicContact CZ-OE1 2.76Å; R411-E415 IonicContact NE-OE1 3.71Å; R411-E415 PolarHBondContact NE-OE1 2.98Å; R411-E415 IonicContact NH2-OE1 2.97Å; R411-E415 PolarHBondContact NH2-OE1 2.99Å; R411-E415 WeakPolarHBondContact O-CG 3.28Å; R411-E415 PolarHBondContact O-N 3.37Å
412K89.7Confident89.5Confident114 Ų114102.2 Ų102.250%0.49650%0.5SS..Hα-helixtrans-64.3-35.2176.6-73.4-177.5177.1178.50112.3R408 I409 E410 E415 N416R408-K412 PolarHBondContact O-N 3.3Å; I409-K412 PolarHBondContact O-N 3.25Å; E410-K412 PolarHBondContact O-N 2.96Å; K412-E415 PolarHBondContact O-N 2.93Å; K412-N416 WeakPolarHBondContact O-CB 3.34Å; K412-N416 PolarHBondContact O-N 2.9Å
413M89.6Confident89.2Confident127 Ų12799.2 Ų99.263%0.62650%0.495SS*.Hα-helixtrans-66.5-40.1177.5-166.963.8176.600111.6I409 E410 R411 N416 S417I409-M413 WeakPolarHBondContact O-CB 3.09Å; I409-M413 PolarHBondContact O-N 3.22Å; E410-M413 PolarHBondContact O-N 3.49Å; R411-M413 VanDerWaalsContact C-N 3.31Å; R411-M413 PolarHBondContact O-N 3.18Å; M413-N416 PolarHBondContact O-N 2.9Å; M413-S417 PolarHBondContact O-N 2.9Å
414N88.8Confident89Confident115 Ų11597.5 Ų97.562%0.61550%0.495SS*.Hα-helixtrans-68.9-38.2174.4-73.6-14000112.8E410 R411 N416 S417 S418E410-N414 PolarHBondContact O-N 3.29Å; R411-N414 PolarHBondContact O-N 3.25Å; N414-N416 VanDerWaalsContact C-N 3.29Å; N414-N416 PolarHBondContact O-N 3.08Å; N414-S417 PolarHBondContact O-OG 3.49Å; N414-S418 PolarHBondContact O-N 2.98Å
415E86.5Confident88.9Confident99 Ų9997.2 Ų97.246%0.46349%0.492SS..Hα-helixtrans-60.1-43171.3-71.8167.9-160.600110.3R411 K412 S418 A419R411-E415 IonicContact CZ-OE1 2.76Å; R411-E415 IonicContact NE-OE1 3.71Å; R411-E415 PolarHBondContact NE-OE1 2.98Å; R411-E415 IonicContact NH2-OE1 2.97Å; R411-E415 PolarHBondContact NH2-OE1 2.99Å; R411-E415 WeakPolarHBondContact O-CG 3.28Å; R411-E415 PolarHBondContact O-N 3.37Å; K412-E415 PolarHBondContact O-N 2.93Å; E415-S418 PolarHBondContact O-N 3.42Å; E415-S418 PolarHBondContact O-OG 3.39Å; E415-A419 PolarHBondContact O-N 3.48Å
416N87.4Confident88.7Confident97 Ų9798.1 Ų98.152%0.51950%0.499SS..Hα-helixtrans-70.8-36.5-179.6-156.150000113.4K412 M413 N414 S418 A419 V420K412-N416 WeakPolarHBondContact O-CB 3.34Å; K412-N416 PolarHBondContact O-N 2.9Å; M413-N416 PolarHBondContact O-N 2.9Å; N414-N416 VanDerWaalsContact C-N 3.29Å; N414-N416 PolarHBondContact O-N 3.08Å; N416-S418 VanDerWaalsContact C-N 3.31Å; N416-S418 PolarHBondContact O-N 3.37Å; N416-A419 WeakPolarHBondContact O-CB 3.24Å; N416-A419 PolarHBondContact O-N 3.26Å; N416-A419 VanDerWaalsContact O-N 3.13Å; N416-V420 WeakPolarHBondContact O-CG2 3.46Å; N416-V420 PolarHBondContact O-N 2.93Å
417S85.7Confident88.5Confident61 Ų6198.4 Ų98.443%0.42751%0.505SS..Hα-helixtrans-63.2-37.7176.266.40000112M413 N414 A419 V420 S421M413-S417 PolarHBondContact O-N 2.9Å; N414-S417 PolarHBondContact O-OG 3.49Å; S417-A419 VanDerWaalsContact C-N 3.29Å; S417-A419 PolarHBondContact O-N 3Å; S417-V420 PolarHBondContact O-N 2.98Å; S417-S421 PolarHBondContact O-N 3.15Å; S417-S421 PolarHBondContact O-OG 2.9Å
418S85.3Confident88.4Confident58 Ų5898.1 Ų98.141%0.40650%0.504SS..Hα-helixtrans-65.2-32.617480.70000112.9N414 E415 N416 K422N414-S418 PolarHBondContact O-N 2.98Å; E415-S418 PolarHBondContact O-N 3.42Å; E415-S418 PolarHBondContact O-OG 3.39Å; N416-S418 VanDerWaalsContact C-N 3.31Å; N416-S418 PolarHBondContact O-N 3.37Å; S418-K422 WeakPolarHBondContact O-CG 3.4Å; S418-K422 PolarHBondContact O-N 2.91Å
419A83.3Confident88.3Confident40 Ų4097.4 Ų97.433%0.33151%0.505SS..Hα-helixtrans-71.3-39.5174.400000111.5E415 N416 S417 K422 L423E415-A419 PolarHBondContact O-N 3.48Å; N416-A419 WeakPolarHBondContact O-CB 3.24Å; N416-A419 PolarHBondContact O-N 3.26Å; N416-A419 VanDerWaalsContact O-N 3.13Å; S417-A419 VanDerWaalsContact C-N 3.29Å; S417-A419 PolarHBondContact O-N 3Å; A419-K422 PolarHBondContact O-N 3.02Å; A419-L423 WeakPolarHBondContact O-CG 3.44Å; A419-L423 PolarHBondContact O-N 3.44Å
420V89.6Confident88.3Confident83 Ų8398.4 Ų98.450%0.50351%0.51SS..Hα-helixtrans-61.8-43.5175171.90000111.3N416 S417 K422 L423 A424N416-V420 WeakPolarHBondContact O-CG2 3.46Å; N416-V420 PolarHBondContact O-N 2.93Å; S417-V420 PolarHBondContact O-N 2.98Å; V420-K422 VanDerWaalsContact C-N 3.32Å; V420-K422 PolarHBondContact O-N 3.21Å; V420-L423 PolarHBondContact O-N 3.06Å; V420-A424 PolarHBondContact O-N 3.18Å
421S85.5Confident88.3Confident73 Ų7399.6 Ų99.651%0.5152%0.516SS..Hα-helixtrans-60.7-40.8176.2-61.50000112.5S417 L423 A424 E425S417-S421 PolarHBondContact O-N 3.15Å; S417-S421 PolarHBondContact O-OG 2.9Å; S421-L423 VanDerWaalsContact C-N 3.34Å; S421-L423 PolarHBondContact O-N 2.95Å; S421-A424 PolarHBondContact O-N 2.89Å; S421-E425 PolarHBondContact O-N 3.41Å
422K86.8Confident88.3Confident133 Ų13395.5 Ų95.558%0.57851%0.506SS*.Hα-helixtrans-65.1-37.2176-71.3173.8-176.5174.60112.4S418 A419 V420 E425 I426S418-K422 WeakPolarHBondContact O-CG 3.4Å; S418-K422 PolarHBondContact O-N 2.91Å; A419-K422 PolarHBondContact O-N 3.02Å; V420-K422 VanDerWaalsContact C-N 3.32Å; V420-K422 PolarHBondContact O-N 3.21Å; K422-E425 PolarHBondContact O-N 3.45Å; K422-I426 WeakPolarHBondContact O-CG1 3.34Å; K422-I426 PolarHBondContact O-N 3.03Å; K422-I426 VanDerWaalsContact O-N 3.15Å
423L85.9Confident88.1Confident104 Ų10493.3 Ų93.355%0.54550%0.502SS..Hα-helixtrans-66.1-43.4175.7-71.9170.6000111.2A419 V420 S421 E425 I426 E427A419-L423 WeakPolarHBondContact O-CG 3.44Å; A419-L423 PolarHBondContact O-N 3.44Å; V420-L423 PolarHBondContact O-N 3.06Å; S421-L423 VanDerWaalsContact C-N 3.34Å; S421-L423 PolarHBondContact O-N 2.95Å; L423-E425 VanDerWaalsContact C-N 3.33Å; L423-E425 PolarHBondContact O-N 3.38Å; L423-I426 PolarHBondContact O-N 3.36Å; L423-I426 VanDerWaalsContact O-N 3.07Å; L423-E427 WeakPolarHBondContact O-CG 3.27Å; L423-E427 PolarHBondContact O-N 2.87Å
424A89.4Confident87.8Confident45 Ų4589.5 Ų89.537%0.37249%0.491SS..Hα-helixtrans-61.3-38.7175.500000112.6V420 S421 I426 E427 T428V420-A424 PolarHBondContact O-N 3.18Å; S421-A424 PolarHBondContact O-N 2.89Å; A424-I426 VanDerWaalsContact C-N 3.31Å; A424-I426 PolarHBondContact O-N 3.33Å; A424-E427 PolarHBondContact O-N 2.59Å; A424-T428 WeakPolarHBondContact O-CG2 3.23Å; A424-T428 PolarHBondContact O-N 3.2Å; A424-T428 PolarHBondContact O-OG1 3.45Å
425E89.1Confident87.7Confident109 Ų10989.4 Ų89.451%0.50948%0.482SS..Hα-helixtrans-64-34.4172.9-76.6-177.4-158.500113.2S421 K422 L423 T428 K429S421-E425 PolarHBondContact O-N 3.41Å; K422-E425 PolarHBondContact O-N 3.45Å; L423-E425 VanDerWaalsContact C-N 3.33Å; L423-E425 PolarHBondContact O-N 3.38Å; E425-T428 WeakPolarHBondContact CA-OG1 3.02Å; E425-T428 PolarHBondContact O-OG1 3.11Å; E425-K429 VanDerWaalsContact O-CG 3.31Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 2.9Å
426I88.1Confident87.5Confident104 Ų10490.5 Ų90.553%0.53349%0.487SS..Hα-helixtrans-74-42.5177.1-68.6167.4000110.2K422 L423 A424 T428 K429 L430K422-I426 WeakPolarHBondContact O-CG1 3.34Å; K422-I426 PolarHBondContact O-N 3.03Å; K422-I426 VanDerWaalsContact O-N 3.15Å; L423-I426 PolarHBondContact O-N 3.36Å; L423-I426 VanDerWaalsContact O-N 3.07Å; A424-I426 VanDerWaalsContact C-N 3.31Å; A424-I426 PolarHBondContact O-N 3.33Å; I426-T428 PolarHBondContact O-N 3.13Å; I426-K429 PolarHBondContact O-N 3.4Å; I426-L430 WeakPolarHBondContact O-CB 3.45Å; I426-L430 PolarHBondContact O-N 3.35Å
427E89.6Confident87.2Confident131 Ų13190.6 Ų90.661%0.61249%0.487SS*.Hα-helixtrans-59.3-44.9176.7-73.9173.4168.300111.6L423 A424 K429 L430 E431L423-E427 WeakPolarHBondContact O-CG 3.27Å; L423-E427 PolarHBondContact O-N 2.87Å; A424-E427 PolarHBondContact O-N 2.59Å; E427-K429 PolarHBondContact O-N 3.17Å; E427-L430 WeakPolarHBondContact O-CB 3.36Å; E427-L430 PolarHBondContact O-N 2.86Å; E427-E431 PolarHBondContact O-N 3.32Å
428T91.6Very high86.8Confident76 Ų7695.5 Ų95.547%0.46650%0.503SS..Hα-helixtrans-63.9-39.1176.450.50000113.1A424 E425 I426 E431 N432A424-T428 WeakPolarHBondContact O-CG2 3.23Å; A424-T428 PolarHBondContact O-N 3.2Å; A424-T428 PolarHBondContact O-OG1 3.45Å; E425-T428 WeakPolarHBondContact CA-OG1 3.02Å; E425-T428 PolarHBondContact O-OG1 3.11Å; I426-T428 PolarHBondContact O-N 3.13Å; T428-E431 PolarHBondContact O-N 2.81Å; T428-N432 VanDerWaalsContact O-CG 3.22Å; T428-N432 PolarHBondContact O-N 2.91Å; T428-N432 PolarHBondContact O-ND2 3.35Å
429K91Very high86.6Confident127 Ų12798 Ų9855%0.55252%0.516SS*.Hα-helixtrans-65.6-41.9174.2-74.1171.8-172.7168.10111.8E425 I426 E427 E431 N432 T433E425-K429 VanDerWaalsContact O-CG 3.31Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 2.9Å; I426-K429 PolarHBondContact O-N 3.4Å; E427-K429 PolarHBondContact O-N 3.17Å; K429-E431 VanDerWaalsContact C-N 3.31Å; K429-E431 PolarHBondContact O-N 3.09Å; K429-N432 PolarHBondContact O-N 3.12Å; K429-T433 WeakPolarHBondContact O-CG2 3.28Å; K429-T433 PolarHBondContact O-N 3.35Å; K429-T433 PolarHBondContact O-OG1 2.95Å
430L89.9Confident86.4Confident123 Ų123100.6 Ų100.664%0.64452%0.524SS*.Hα-helixtrans-62.4-40.7177.2-165.187.5000111.3I426 E427 T433 A434I426-L430 WeakPolarHBondContact O-CB 3.45Å; I426-L430 PolarHBondContact O-N 3.35Å; E427-L430 WeakPolarHBondContact O-CB 3.36Å; E427-L430 PolarHBondContact O-N 2.86Å; L430-T433 PolarHBondContact O-OG1 3.29Å; L430-A434 WeakPolarHBondContact O-CB 3.45Å; L430-A434 PolarHBondContact O-N 3.46Å
431E90.7Very high86Confident112 Ų112101 Ų10152%0.52352%0.523SS..Hα-helixtrans-69-38.2178.1-157.3-172.4136.800112.2E427 T428 K429 A434 R435E427-E431 PolarHBondContact O-N 3.32Å; T428-E431 PolarHBondContact O-N 2.81Å; K429-E431 VanDerWaalsContact C-N 3.31Å; K429-E431 PolarHBondContact O-N 3.09Å; E431-A434 PolarHBondContact O-N 2.95Å; E431-R435 VanDerWaalsContact CD-NH2 3.31Å; E431-R435 PolarHBondContact O-N 3.21Å; E431-R435 IonicContact OE1-CZ 2.77Å; E431-R435 IonicContact OE1-NE 3.85Å; E431-R435 IonicContact OE1-NH2 3.35Å; E431-R435 PolarHBondContact OE1-NH2 3.49Å
432N90.2Very high85.7Confident74 Ų74104.7 Ų104.740%0.39653%0.527SS..Hα-helixtrans-65.3-44.2175.6-71.6-19.8000112.1T428 K429 R435 E436T428-N432 VanDerWaalsContact O-CG 3.22Å; T428-N432 PolarHBondContact O-N 2.91Å; T428-N432 PolarHBondContact O-ND2 3.35Å; K429-N432 PolarHBondContact O-N 3.12Å; N432-R435 PolarHBondContact O-N 3.23Å; N432-R435 PolarHBondContact OD1-NH1 2.82Å; N432-R435 PolarHBondContact OD1-NH2 2.96Å; N432-E436 WeakPolarHBondContact O-CG 3.4Å; N432-E436 PolarHBondContact O-N 2.9Å
433T85.4Confident85.4Confident68 Ų68102.3 Ų102.342%0.41752%0.524SS..Hα-helixtrans-68-35.8177.555.30000112.1K429 L430 E436 I437K429-T433 WeakPolarHBondContact O-CG2 3.28Å; K429-T433 PolarHBondContact O-N 3.35Å; K429-T433 PolarHBondContact O-OG1 2.95Å; L430-T433 PolarHBondContact O-OG1 3.29Å; T433-E436 PolarHBondContact O-N 3.35Å; T433-I437 VanDerWaalsContact O-CG1 3.3Å; T433-I437 WeakPolarHBondContact O-CG1 3.3Å; T433-I437 PolarHBondContact O-N 3Å
434A84.5Confident85.3Confident48 Ų4899.3 Ų99.340%0.39751%0.514SS..Hα-helixtrans-61.5-43.5172.100000111.7L430 E431 I437 E438L430-A434 WeakPolarHBondContact O-CB 3.45Å; L430-A434 PolarHBondContact O-N 3.46Å; E431-A434 PolarHBondContact O-N 2.95Å; A434-I437 PolarHBondContact O-N 3Å; A434-E438 PolarHBondContact O-N 3.28Å
435R86.2Confident85.2Confident112 Ų112101.6 Ų101.642%0.42352%0.519SS..Hα-helixtrans-62.4-43.3174-98.9-176.2-93.3109.6-2.5112.7E431 N432 I437 E438 T439E431-R435 VanDerWaalsContact CD-NH2 3.31Å; E431-R435 PolarHBondContact O-N 3.21Å; E431-R435 IonicContact OE1-CZ 2.77Å; E431-R435 IonicContact OE1-NE 3.85Å; E431-R435 IonicContact OE1-NH2 3.35Å; E431-R435 PolarHBondContact OE1-NH2 3.49Å; N432-R435 PolarHBondContact O-N 3.23Å; N432-R435 PolarHBondContact OD1-NH1 2.82Å; N432-R435 PolarHBondContact OD1-NH2 2.96Å; R435-I437 VanDerWaalsContact C-N 3.29Å; R435-I437 PolarHBondContact O-N 3.3Å; R435-E438 PolarHBondContact O-N 2.99Å; R435-T439 WeakPolarHBondContact O-CG2 3.45Å; R435-T439 PolarHBondContact O-N 3.32Å; R435-T439 PolarHBondContact O-OG1 3.01Å
436E82.7Confident85Confident122 Ų122101.2 Ų101.257%0.5752%0.518SS*.Hα-helixtrans-58.9-42.4176.2-75.2174.6-171.400111.5N432 T433 T439 L440N432-E436 WeakPolarHBondContact O-CG 3.4Å; N432-E436 PolarHBondContact O-N 2.9Å; T433-E436 PolarHBondContact O-N 3.35Å; E436-T439 WeakPolarHBondContact CA-OG1 3.34Å; E436-T439 PolarHBondContact O-N 3.48Å; E436-T439 PolarHBondContact O-OG1 3.06Å; E436-L440 WeakPolarHBondContact O-CG 3.32Å; E436-L440 PolarHBondContact O-N 3.37Å
437I80.1Confident85.1Confident99 Ų99100.7 Ų100.751%0.50852%0.516SS..Hα-helixtrans-64.1-42.1175.9-67.2166.7000111.5T433 A434 R435 T439 L440T433-I437 VanDerWaalsContact O-CG1 3.3Å; T433-I437 WeakPolarHBondContact O-CG1 3.3Å; T433-I437 PolarHBondContact O-N 3Å; A434-I437 PolarHBondContact O-N 3Å; R435-I437 VanDerWaalsContact C-N 3.29Å; R435-I437 PolarHBondContact O-N 3.3Å; I437-T439 VanDerWaalsContact C-N 3.31Å; I437-T439 PolarHBondContact O-N 3.31Å; I437-L440 PolarHBondContact O-N 3.41Å
438E78.1Confident85.2Confident165 Ų16599.3 Ų99.377%0.77151%0.512SS*.Hα-helixtrans-66-31.4176.5-77.3-177.6171.300113.2A434 R435A434-E438 PolarHBondContact O-N 3.28Å; R435-E438 PolarHBondContact O-N 2.99Å
439T81.8Confident85.2Confident111 Ų111103.5 Ų103.568%0.68152%0.52SS*.Hα-helixtrans-78.6-16.6177.858.10000114.3R435 E436 I437 D441R435-T439 WeakPolarHBondContact O-CG2 3.45Å; R435-T439 PolarHBondContact O-N 3.32Å; R435-T439 PolarHBondContact O-OG1 3.01Å; E436-T439 WeakPolarHBondContact CA-OG1 3.34Å; E436-T439 PolarHBondContact O-N 3.48Å; E436-T439 PolarHBondContact O-OG1 3.06Å; I437-T439 VanDerWaalsContact C-N 3.31Å; I437-T439 PolarHBondContact O-N 3.31Å; T439-D441 PolarHBondContact O-N 3.46Å; T439-D441 VanDerWaalsContact O-N 3.11Å
440L77.7Confident85.1Confident94 Ų94103 Ų10349%0.49252%0.518SS..  trans-76.299.6178.6-78.5164.7000110.1E436 I437 Y442E436-L440 WeakPolarHBondContact O-CG 3.32Å; E436-L440 PolarHBondContact O-N 3.37Å; I437-L440 PolarHBondContact O-N 3.41Å; L440-Y442 VanDerWaalsContact C-N 3.31Å; L440-Y442 HydrophobicContact CB-CE2 4.33Å; L440-Y442 VanDerWaalsContact O-CD2 3.3Å; L440-Y442 WeakPolarHBondContact O-CD2 3.41Å; L440-Y442 PolarHBondContact O-N 2.94Å
441D81Confident85.3Confident91 Ų91103.1 Ų103.149%0.48752%0.515SS..  trans-73.286.1172.9-171.5-8.1000110.6T439 T443 A444 L445T439-D441 PolarHBondContact O-N 3.46Å; T439-D441 VanDerWaalsContact O-N 3.11Å; D441-T443 PolarHBondContact O-N 3.01Å; D441-T443 VanDerWaalsContact O-N 3.15Å; D441-T443 WeakPolarHBondContact OD1-CB 3.5Å; D441-T443 PolarHBondContact OD1-N 3.26Å; D441-T443 PolarHBondContact OD1-OG1 2.9Å; D441-A444 HydrophobicContact CB-CB 4.05Å; D441-A444 PolarHBondContact O-N 3.23Å; D441-A444 PolarHBondContact OD1-N 3.02Å; D441-A444 VanDerWaalsContact OD1-N 3.17Å; D441-L445 PolarHBondContact O-N 2.93Å; D441-L445 VanDerWaalsContact O-N 3.13Å
442Y79.3Confident85.4Confident150 Ų150102.9 Ų102.959%0.58851%0.514SS*.Hα-helixtrans-54.2-29.8175.1-71.6-77.3000112.5L440 E446L440-Y442 VanDerWaalsContact C-N 3.31Å; L440-Y442 HydrophobicContact CB-CE2 4.33Å; L440-Y442 VanDerWaalsContact O-CD2 3.3Å; L440-Y442 WeakPolarHBondContact O-CD2 3.41Å; L440-Y442 PolarHBondContact O-N 2.94Å; Y442-E446 VanDerWaalsContact O-CB 3.28Å; Y442-E446 WeakPolarHBondContact O-CB 3.46Å; Y442-E446 PolarHBondContact O-N 3.5Å
443T80.7Confident85.5Confident84 Ų84104 Ų10452%0.51552%0.52SS..Hα-helixtrans-73.1-40.9-178.873.20000111.6D441 E446 N447D441-T443 PolarHBondContact O-N 3.01Å; D441-T443 VanDerWaalsContact O-N 3.15Å; D441-T443 WeakPolarHBondContact OD1-CB 3.5Å; D441-T443 PolarHBondContact OD1-N 3.26Å; D441-T443 PolarHBondContact OD1-OG1 2.9Å; T443-E446 PolarHBondContact O-N 3.35Å; T443-N447 WeakPolarHBondContact O-CB 3.4Å; T443-N447 PolarHBondContact O-N 2.91Å; T443-N447 PolarHBondContact O-ND2 2.94Å; T443-N447 VanDerWaalsContact O-ND2 3.08Å
444A85.1Confident85.9Confident40 Ų40103.3 Ų103.333%0.33152%0.521SS..Hα-helixtrans-63.9-42.8173.400000111.4D441 N447 N448D441-A444 HydrophobicContact CB-CB 4.05Å; D441-A444 PolarHBondContact O-N 3.23Å; D441-A444 PolarHBondContact OD1-N 3.02Å; D441-A444 VanDerWaalsContact OD1-N 3.17Å; A444-N447 PolarHBondContact O-N 3.24Å; A444-N448 VanDerWaalsContact O-CG 3.32Å; A444-N448 PolarHBondContact O-N 3.25Å
445L86.2Confident86.3Confident94 Ų94105.4 Ų105.449%0.49253%0.526SS..Hα-helixtrans-62-50176.9-13895.7000110.8D441 N447 N448 W449D441-L445 PolarHBondContact O-N 2.93Å; D441-L445 VanDerWaalsContact O-N 3.13Å; L445-N447 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 3.48Å; L445-N448 WeakPolarHBondContact O-CB 3.08Å; L445-N448 PolarHBondContact O-N 2.98Å; L445-W449 PolarHBondContact O-N 3.15Å
446E84.6Confident86.7Confident101 Ų101105.2 Ų105.247%0.47253%0.532SS..Hα-helixtrans-60.1-39.6179.5-169.2-172.8166.600112Y442 T443 W449 K450Y442-E446 VanDerWaalsContact O-CB 3.28Å; Y442-E446 WeakPolarHBondContact O-CB 3.46Å; Y442-E446 PolarHBondContact O-N 3.5Å; T443-E446 PolarHBondContact O-N 3.35Å; E446-W449 PolarHBondContact O-N 3.27Å; E446-K450 HydrophobicContact CG-CD 4.4Å; E446-K450 WeakPolarHBondContact O-CB 3.14Å; E446-K450 WeakPolarHBondContact O-CG 3.48Å; E446-K450 PolarHBondContact O-N 3.44Å; E446-K450 WeakPolarHBondContact OE1-CE 3.3Å; E446-K450 IonicContact OE1-NZ 3.99Å; E446-K450 PolarHBondContact OE1-NZ 3.29Å
447N90.6Very high87.2Confident92 Ų92103.4 Ų103.449%0.49253%0.526SS..Hα-helixtrans-66.3-41.3176.7-73.7-29.4000112.2T443 A444 L445 K450 Q451T443-N447 WeakPolarHBondContact O-CB 3.4Å; T443-N447 PolarHBondContact O-N 2.91Å; T443-N447 PolarHBondContact O-ND2 2.94Å; T443-N447 VanDerWaalsContact O-ND2 3.08Å; A444-N447 PolarHBondContact O-N 3.24Å; L445-N447 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 3.48Å; N447-K450 PolarHBondContact O-N 2.75Å; N447-Q451 WeakPolarHBondContact O-CB 3.44Å; N447-Q451 PolarHBondContact O-N 3.01Å
448N92Very high87.8Confident102 Ų102103.4 Ų103.455%0.54552%0.524SS..Hα-helixtrans-60.4-47.1173.7-72.4-14000110.9A444 L445 K450 Q451 E452A444-N448 VanDerWaalsContact O-CG 3.32Å; A444-N448 PolarHBondContact O-N 3.25Å; L445-N448 WeakPolarHBondContact O-CB 3.08Å; L445-N448 PolarHBondContact O-N 2.98Å; N448-K450 VanDerWaalsContact C-N 3.35Å; N448-K450 PolarHBondContact O-N 3.35Å; N448-Q451 PolarHBondContact O-N 3.47Å; N448-E452 WeakPolarHBondContact O-CB 3.01Å; N448-E452 PolarHBondContact O-N 3.35Å
449W90.6Very high88.5Confident164 Ų16498.7 Ų98.762%0.62151%0.509SS*.Hα-helixtrans-60.9-41.5176.3-72.1115000112.3L445 E446 N453L445-W449 PolarHBondContact O-N 3.15Å; E446-W449 PolarHBondContact O-N 3.27Å; W449-N453 VanDerWaalsContact O-CB 3.24Å; W449-N453 WeakPolarHBondContact O-CB 3.3Å; W449-N453 PolarHBondContact O-N 2.83Å
450K91Very high89Confident116 Ų116100.1 Ų100.150%0.50451%0.506SS..Hα-helixtrans-62.9-42.9176-78.5174-177.7163.80112.1E446 N447 N448 A454E446-K450 HydrophobicContact CG-CD 4.4Å; E446-K450 WeakPolarHBondContact O-CB 3.14Å; E446-K450 WeakPolarHBondContact O-CG 3.48Å; E446-K450 PolarHBondContact O-N 3.44Å; E446-K450 WeakPolarHBondContact OE1-CE 3.3Å; E446-K450 IonicContact OE1-NZ 3.99Å; E446-K450 PolarHBondContact OE1-NZ 3.29Å; N447-K450 PolarHBondContact O-N 2.75Å; N448-K450 VanDerWaalsContact C-N 3.35Å; N448-K450 PolarHBondContact O-N 3.35Å; K450-A454 WeakPolarHBondContact O-CB 3.46Å; K450-A454 PolarHBondContact O-N 3.03Å
451Q92.2Very high89.7Confident126 Ų126101.5 Ų101.559%0.58951%0.51SS*.Hα-helixtrans-67-43.9178.9-173.1174.69.700111.7N447 N448 A454 N455N447-Q451 WeakPolarHBondContact O-CB 3.44Å; N447-Q451 PolarHBondContact O-N 3.01Å; N448-Q451 PolarHBondContact O-N 3.47Å; Q451-A454 PolarHBondContact O-N 2.98Å; Q451-N455 VanDerWaalsContact O-CG 3.28Å; Q451-N455 PolarHBondContact O-N 3.4Å; Q451-N455 PolarHBondContact O-ND2 2.93Å
452E93.5Very high90.3Very high108 Ų108102.8 Ų102.851%0.50551%0.511SS..Hα-helixtrans-63.8-42.1176.7-171.3166.6-168.800111.6N448 A454 N455 L456N448-E452 WeakPolarHBondContact O-CB 3.01Å; N448-E452 PolarHBondContact O-N 3.35Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.89Å; E452-N455 PolarHBondContact O-N 3.27Å; E452-L456 WeakPolarHBondContact O-CG 3.48Å; E452-L456 PolarHBondContact O-N 3.46Å
453N92.3Very high90.9Very high98 Ų9898.5 Ų98.552%0.52450%0.502SS..Hα-helixtrans-65.3-37.6176.4-156.120.9000112W449 L456 I457W449-N453 VanDerWaalsContact O-CB 3.24Å; W449-N453 WeakPolarHBondContact O-CB 3.3Å; W449-N453 PolarHBondContact O-N 2.83Å; N453-L456 PolarHBondContact O-N 3.35Å; N453-I457 VanDerWaalsContact O-CG1 3.25Å; N453-I457 WeakPolarHBondContact O-CG1 3.45Å; N453-I457 PolarHBondContact O-N 3.43Å
454A93.5Very high91.4Very high53 Ų5398.2 Ų98.244%0.43850%0.497SS..Hα-helixtrans-62.4-43173.500000112.1K450 Q451 E452 L456 I457 E458K450-A454 WeakPolarHBondContact O-CB 3.46Å; K450-A454 PolarHBondContact O-N 3.03Å; Q451-A454 PolarHBondContact O-N 2.98Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 2.89Å; A454-L456 PolarHBondContact O-N 3.07Å; A454-I457 PolarHBondContact O-N 3.45Å; A454-E458 PolarHBondContact O-N 3.25Å
455N94.2Very high91.8Very high92 Ų92102.6 Ų102.649%0.49251%0.514SS..Hα-helixtrans-63.4-40.5176.3-67-20000112.1Q451 E452 I457 E458 S459Q451-N455 VanDerWaalsContact O-CG 3.28Å; Q451-N455 PolarHBondContact O-N 3.4Å; Q451-N455 PolarHBondContact O-ND2 2.93Å; E452-N455 PolarHBondContact O-N 3.27Å; N455-I457 VanDerWaalsContact C-N 3.35Å; N455-E458 PolarHBondContact O-N 2.95Å; N455-S459 WeakPolarHBondContact O-CB 3.47Å; N455-S459 PolarHBondContact O-N 3.03Å
456L94Very high92.1Very high107 Ų107103.2 Ų103.256%0.5652%0.515SS*.Hα-helixtrans-64.6-39176-72.6171.7000111.9E452 N453 A454 K460E452-L456 WeakPolarHBondContact O-CG 3.48Å; E452-L456 PolarHBondContact O-N 3.46Å; N453-L456 PolarHBondContact O-N 3.35Å; A454-L456 PolarHBondContact O-N 3.07Å; L456-K460 WeakPolarHBondContact O-CB 3.3Å; L456-K460 PolarHBondContact O-N 3.04Å
457I92.5Very high92.4Very high85 Ų85103 Ų10344%0.43652%0.516SS..Hα-helixtrans-64.7-46.1175.3-69.1165000110.6N453 A454 N455 S459 K460 E461N453-I457 VanDerWaalsContact O-CG1 3.25Å; N453-I457 WeakPolarHBondContact O-CG1 3.45Å; N453-I457 PolarHBondContact O-N 3.43Å; A454-I457 PolarHBondContact O-N 3.45Å; N455-I457 VanDerWaalsContact C-N 3.35Å; I457-S459 VanDerWaalsContact C-N 3.35Å; I457-S459 PolarHBondContact O-N 3.15Å; I457-K460 WeakPolarHBondContact O-CB 3.38Å; I457-K460 PolarHBondContact O-N 3.04Å; I457-E461 WeakPolarHBondContact O-CG 3.47Å; I457-E461 PolarHBondContact O-N 3.48Å
458E94.1Very high92.4Very high98 Ų98105.4 Ų105.446%0.45852%0.522SS..Hα-helixtrans-62.7-41.3178.2-165.3-169153.900111.8A454 N455 E461 K462A454-E458 PolarHBondContact O-N 3.25Å; N455-E458 PolarHBondContact O-N 2.95Å; E458-E461 PolarHBondContact O-N 3.18Å; E458-K462 WeakPolarHBondContact O-CG 3.37Å; E458-K462 PolarHBondContact O-N 3.32Å; E458-K462 VanDerWaalsContact OE1-CE 3.28Å; E458-K462 WeakPolarHBondContact OE1-CE 3.35Å; E458-K462 IonicContact OE1-NZ 3.24Å; E458-K462 PolarHBondContact OE1-NZ 3.35Å
459S92.1Very high92.4Very high67 Ų67103 Ų10347%0.46951%0.513SS..Hα-helixtrans-62.1-44.1174.6176.40000111.9N455 I457 E461 K462 C463N455-S459 WeakPolarHBondContact O-CB 3.47Å; N455-S459 PolarHBondContact O-N 3.03Å; I457-S459 VanDerWaalsContact C-N 3.35Å; I457-S459 PolarHBondContact O-N 3.15Å; S459-E461 VanDerWaalsContact C-N 3.35Å; S459-E461 PolarHBondContact O-N 3.29Å; S459-K462 PolarHBondContact O-N 3.13Å; S459-C463 PolarHBondContact O-N 3.39Å; S459-C463 PolarHBondContact O-SG 3.48Å
460K92.2Very high92.5Very high140 Ų140101.1 Ų101.161%0.60951%0.509SS*.Hα-helixtrans-60.4-43.4175.5179.1-174.5174.6-176.10111.7L456 I457 C463 L464L456-K460 WeakPolarHBondContact O-CB 3.3Å; L456-K460 PolarHBondContact O-N 3.04Å; I457-K460 WeakPolarHBondContact O-CB 3.38Å; I457-K460 PolarHBondContact O-N 3.04Å; K460-C463 PolarHBondContact O-N 3.11Å; K460-L464 HydrophobicContact CG-CD1 4.16Å; K460-L464 WeakPolarHBondContact O-CB 3.48Å; K460-L464 VanDerWaalsContact O-CG 3.3Å; K460-L464 WeakPolarHBondContact O-CG 3.43Å; K460-L464 PolarHBondContact O-N 2.91Å
461E92.5Very high92.5Very high123 Ų12398.7 Ų98.758%0.57551%0.505SS*.Hα-helixtrans-64.7-39.7178.8-74.3-178.117000112.3I457 E458 S459 L464 L465I457-E461 WeakPolarHBondContact O-CG 3.47Å; I457-E461 PolarHBondContact O-N 3.48Å; E458-E461 PolarHBondContact O-N 3.18Å; S459-E461 VanDerWaalsContact C-N 3.35Å; S459-E461 PolarHBondContact O-N 3.29Å; E461-L464 PolarHBondContact O-N 2.94Å; E461-L465 PolarHBondContact O-N 3.4Å
462K94Very high92.5Very high118 Ų11897 Ų9751%0.51350%0.503SS..Hα-helixtrans-61.1-49.4172.9-74174.8-174.3164.20111.8E458 S459 L464 L465 E466E458-K462 WeakPolarHBondContact O-CG 3.37Å; E458-K462 PolarHBondContact O-N 3.32Å; E458-K462 VanDerWaalsContact OE1-CE 3.28Å; E458-K462 WeakPolarHBondContact OE1-CE 3.35Å; E458-K462 IonicContact OE1-NZ 3.24Å; E458-K462 PolarHBondContact OE1-NZ 3.35Å; S459-K462 PolarHBondContact O-N 3.13Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 3.32Å; K462-L465 WeakPolarHBondContact O-CB 3.45Å; K462-L465 PolarHBondContact O-N 3.49Å; K462-L465 VanDerWaalsContact O-N 3.1Å; K462-E466 PolarHBondContact O-N 3.41Å
463C92.1Very high92.5Very high60 Ų6097.6 Ų97.641%0.40551%0.505SS..Hα-helixtrans-60.9-38.8176.8-68.90000112.1S459 K460 L465 E466 I467S459-C463 PolarHBondContact O-N 3.39Å; S459-C463 PolarHBondContact O-SG 3.48Å; K460-C463 PolarHBondContact O-N 3.11Å; C463-L465 VanDerWaalsContact C-N 3.31Å; C463-L465 PolarHBondContact O-N 3.41Å; C463-E466 PolarHBondContact O-N 3.43Å; C463-I467 VanDerWaalsContact O-CG1 3.25Å; C463-I467 WeakPolarHBondContact O-CG1 3.47Å; C463-I467 PolarHBondContact O-N 3.34Å
464L90.1Very high92.5Very high79 Ų7998 Ų9841%0.41451%0.507SS..Hα-helixtrans-65-35.6175.8-75.5172.9000112.4K460 E461 K462 K468K460-L464 HydrophobicContact CG-CD1 4.16Å; K460-L464 WeakPolarHBondContact O-CB 3.48Å; K460-L464 VanDerWaalsContact O-CG 3.3Å; K460-L464 WeakPolarHBondContact O-CG 3.43Å; K460-L464 PolarHBondContact O-N 2.91Å; E461-L464 PolarHBondContact O-N 2.94Å; K462-L464 VanDerWaalsContact C-N 3.3Å; K462-L464 PolarHBondContact O-N 3.32Å; L464-K468 VanDerWaalsContact O-CG 3.3Å; L464-K468 WeakPolarHBondContact O-CG 3.34Å; L464-K468 PolarHBondContact O-N 3.48Å
465L93.2Very high92.3Very high131 Ų13199.6 Ų99.669%0.68651%0.508SS*.Hα-helixtrans-68.2-41.6175.9-154115.1000111.3E461 K462 C463 K468 S469E461-L465 PolarHBondContact O-N 3.4Å; K462-L465 WeakPolarHBondContact O-CB 3.45Å; K462-L465 PolarHBondContact O-N 3.49Å; K462-L465 VanDerWaalsContact O-N 3.1Å; C463-L465 VanDerWaalsContact C-N 3.31Å; C463-L465 PolarHBondContact O-N 3.41Å; L465-K468 PolarHBondContact O-N 2.88Å; L465-S469 PolarHBondContact O-N 2.82Å
466E93.1Very high92.2Very high107 Ų10798.1 Ų98.150%0.550%0.504SS..Hα-helixtrans-61.8-47.3174.1-72.8176.1-18000111.5K462 C463 K468 S469 F470K462-E466 PolarHBondContact O-N 3.41Å; C463-E466 PolarHBondContact O-N 3.43Å; E466-K468 VanDerWaalsContact C-N 3.32Å; E466-K468 PolarHBondContact O-N 2.98Å; E466-S469 WeakPolarHBondContact O-CA 3.47Å; E466-S469 WeakPolarHBondContact O-CB 3.33Å; E466-S469 PolarHBondContact O-N 3.41Å; E466-S469 PolarHBondContact O-OG 3.3Å; E466-F470 HydrophobicContact CB-CD2 4.43Å; E466-F470 HydrophobicContact CB-CE2 4.22Å; E466-F470 WeakPolarHBondContact O-CD2 3.33Å; E466-F470 PolarHBondContact O-N 2.95Å
467I90.7Very high92.1Very high97 Ų9795 Ų9550%0.49749%0.494SS..Hα-helixtrans-58.1-44.5176.2-70.8166.2000110.8C463 S469 F470 T471C463-I467 VanDerWaalsContact O-CG1 3.25Å; C463-I467 WeakPolarHBondContact O-CG1 3.47Å; C463-I467 PolarHBondContact O-N 3.34Å; I467-S469 VanDerWaalsContact C-N 3.31Å; I467-S469 PolarHBondContact O-N 3.32Å; I467-F470 PolarHBondContact O-N 3.47Å; I467-T471 WeakPolarHBondContact O-CB 3.41Å; I467-T471 PolarHBondContact O-N 2.99Å; I467-T471 PolarHBondContact O-OG1 3.45Å
468K91.5Very high92Very high142 Ų14294.5 Ų94.562%0.61749%0.492SS*.Hα-helixtrans-60.1-42.4175-75.4172.9-177.9178.20111.3L464 L465 E466 T471 V472L464-K468 VanDerWaalsContact O-CG 3.3Å; L464-K468 WeakPolarHBondContact O-CG 3.34Å; L464-K468 PolarHBondContact O-N 3.48Å; L465-K468 PolarHBondContact O-N 2.88Å; E466-K468 VanDerWaalsContact C-N 3.32Å; E466-K468 PolarHBondContact O-N 2.98Å; K468-T471 PolarHBondContact O-N 2.8Å; K468-V472 WeakPolarHBondContact O-CG2 3.42Å; K468-V472 PolarHBondContact O-N 2.88Å; K468-V472 VanDerWaalsContact O-N 3.09Å
469S92.3Very high91.8Very high51 Ų5194.4 Ų94.436%0.35749%0.492SS..Hα-helixtrans-65.3-42.5178.281.80000112.5L465 E466 I467 T471 V472 Q473L465-S469 PolarHBondContact O-N 2.82Å; E466-S469 WeakPolarHBondContact O-CA 3.47Å; E466-S469 WeakPolarHBondContact O-CB 3.33Å; E466-S469 PolarHBondContact O-N 3.41Å; E466-S469 PolarHBondContact O-OG 3.3Å; I467-S469 VanDerWaalsContact C-N 3.31Å; I467-S469 PolarHBondContact O-N 3.32Å; S469-T471 VanDerWaalsContact C-N 3.34Å; S469-T471 PolarHBondContact O-N 3.02Å; S469-V472 PolarHBondContact O-N 3.43Å; S469-Q473 WeakPolarHBondContact O-CG 3.37Å; S469-Q473 PolarHBondContact O-N 3.31Å
470F92.2Very high91.7Very high125 Ų12598.7 Ų98.755%0.54850%0.497SS..Hα-helixtrans-66.1-37.4176-72.7-53.8000111.8E466 I467 V472 Q473 L474E466-F470 HydrophobicContact CB-CD2 4.43Å; E466-F470 HydrophobicContact CB-CE2 4.22Å; E466-F470 WeakPolarHBondContact O-CD2 3.33Å; E466-F470 PolarHBondContact O-N 2.95Å; I467-F470 PolarHBondContact O-N 3.47Å; F470-V472 VanDerWaalsContact C-N 3.33Å; F470-V472 PolarHBondContact O-N 2.75Å; F470-Q473 PolarHBondContact O-N 2.92Å; F470-L474 WeakPolarHBondContact O-CB 3.31Å; F470-L474 PolarHBondContact O-N 3.24Å
471T90.2Very high91.6Very high66 Ų6698.1 Ų98.141%0.40550%0.497SS..Hα-helixtrans-61.9-42.9176.3-560000110.9I467 K468 S469 L474 N475I467-T471 WeakPolarHBondContact O-CB 3.41Å; I467-T471 PolarHBondContact O-N 2.99Å; I467-T471 PolarHBondContact O-OG1 3.45Å; K468-T471 PolarHBondContact O-N 2.8Å; S469-T471 VanDerWaalsContact C-N 3.34Å; S469-T471 PolarHBondContact O-N 3.02Å; T471-L474 PolarHBondContact O-N 3.34Å; T471-N475 WeakPolarHBondContact O-CB 3.43Å; T471-N475 VanDerWaalsContact O-CG 3.27Å; T471-N475 PolarHBondContact O-N 2.89Å; T471-N475 PolarHBondContact O-ND2 3.21Å
472V92.7Very high91.5Very high91 Ų9197.5 Ų97.555%0.55249%0.492SS*.Hα-helixtrans-64.4-44.9175.3172.70000110.9K468 S469 F470 L474 N475 C476K468-V472 WeakPolarHBondContact O-CG2 3.42Å; K468-V472 PolarHBondContact O-N 2.88Å; K468-V472 VanDerWaalsContact O-N 3.09Å; S469-V472 PolarHBondContact O-N 3.43Å; F470-V472 VanDerWaalsContact C-N 3.33Å; F470-V472 PolarHBondContact O-N 2.75Å; V472-L474 PolarHBondContact O-N 3.43Å; V472-N475 PolarHBondContact O-N 3.48Å; V472-C476 PolarHBondContact O-N 3.17Å; V472-C476 PolarHBondContact O-SG 2.99Å; V472-C476 VanDerWaalsContact O-SG 3.34Å
473Q92.7Very high91.3Very high119 Ų11997.5 Ų97.556%0.55649%0.494SS*.Hα-helixtrans-61.4-43.3177.7-71.1175.81200112.4S469 F470 C476 A477S469-Q473 WeakPolarHBondContact O-CG 3.37Å; S469-Q473 PolarHBondContact O-N 3.31Å; F470-Q473 PolarHBondContact O-N 2.92Å; Q473-C476 PolarHBondContact O-N 3.48Å; Q473-A477 PolarHBondContact O-N 2.83Å
474L92.2Very high91.2Very high106 Ų10699.7 Ų99.756%0.55550%0.498SS*.Hα-helixtrans-62.5-47177.4-179.664.4000111.2F470 T471 V472 C476 A477 L478F470-L474 WeakPolarHBondContact O-CB 3.31Å; F470-L474 PolarHBondContact O-N 3.24Å; T471-L474 PolarHBondContact O-N 3.34Å; V472-L474 PolarHBondContact O-N 3.43Å; L474-C476 VanDerWaalsContact C-N 3.34Å; L474-C476 PolarHBondContact O-N 3.18Å; L474-A477 WeakPolarHBondContact O-CB 3.43Å; L474-A477 PolarHBondContact O-N 2.96Å; L474-A477 VanDerWaalsContact O-N 3.13Å; L474-L478 HydrophobicContact CD1-CD1 4.49Å; L474-L478 HydrophobicContact CD1-CG 4.47Å; L474-L478 HydrophobicContact CG-CD1 4.16Å; L474-L478 WeakPolarHBondContact O-CG 3.47Å; L474-L478 PolarHBondContact O-N 3.34Å
475N90.8Very high91Very high87 Ų8798.2 Ų98.247%0.46550%0.498SS..Hα-helixtrans-61.6-42.8177.1-72.2-19.4000111.5T471 V472 A477 L478 E479T471-N475 WeakPolarHBondContact O-CB 3.43Å; T471-N475 VanDerWaalsContact O-CG 3.27Å; T471-N475 PolarHBondContact O-N 2.89Å; T471-N475 PolarHBondContact O-ND2 3.21Å; V472-N475 PolarHBondContact O-N 3.48Å; N475-A477 VanDerWaalsContact C-N 3.3Å; N475-A477 PolarHBondContact O-N 2.92Å; N475-L478 PolarHBondContact O-N 3.4Å; N475-E479 WeakPolarHBondContact O-CG 3.38Å; N475-E479 PolarHBondContact O-N 3.21Å
476C92.2Very high90.9Very high61 Ų6197.9 Ų97.941%0.41249%0.493SS..Hα-helixtrans-63.2-34.1174.5-71.20000112.9V472 Q473 L474 R480V472-C476 PolarHBondContact O-N 3.17Å; V472-C476 PolarHBondContact O-SG 2.99Å; V472-C476 VanDerWaalsContact O-SG 3.34Å; Q473-C476 PolarHBondContact O-N 3.48Å; L474-C476 VanDerWaalsContact C-N 3.34Å; L474-C476 PolarHBondContact O-N 3.18Å; C476-R480 WeakPolarHBondContact O-CG 3.42Å; C476-R480 PolarHBondContact O-N 3.47Å
477A90.8Very high90.8Very high42 Ų4297.5 Ų97.535%0.34749%0.493SS..Hα-helixtrans-69.7-44.9175.200000111.5Q473 L474 N475 E479 R480 E481Q473-A477 PolarHBondContact O-N 2.83Å; L474-A477 WeakPolarHBondContact O-CB 3.43Å; L474-A477 PolarHBondContact O-N 2.96Å; L474-A477 VanDerWaalsContact O-N 3.13Å; N475-A477 VanDerWaalsContact C-N 3.3Å; N475-A477 PolarHBondContact O-N 2.92Å; A477-E479 PolarHBondContact O-N 3.28Å; A477-R480 WeakPolarHBondContact O-CB 3.3Å; A477-R480 PolarHBondContact O-N 2.88Å; A477-E481 PolarHBondContact O-N 3.47Å
478L90.5Very high90.8Very high74 Ų7499.2 Ų99.239%0.38750%0.497SS..Hα-helixtrans-61.8-40.2177.4-71.8171.7000112.5L474 N475 E481 K482L474-L478 HydrophobicContact CD1-CD1 4.49Å; L474-L478 HydrophobicContact CD1-CG 4.47Å; L474-L478 HydrophobicContact CG-CD1 4.16Å; L474-L478 WeakPolarHBondContact O-CG 3.47Å; L474-L478 PolarHBondContact O-N 3.34Å; N475-L478 PolarHBondContact O-N 3.4Å; L478-E481 PolarHBondContact O-N 3.09Å; L478-K482 WeakPolarHBondContact O-CG 3.35Å; L478-K482 PolarHBondContact O-N 2.84Å; L478-K482 VanDerWaalsContact O-N 3.1Å
479E90.1Very high90.8Very high97 Ų9797 Ų9745%0.45349%0.491SS..Hα-helixtrans-65.9-39.6174.9-68.8-55.2133.300111.8N475 A477 E481 K482 E483N475-E479 WeakPolarHBondContact O-CG 3.38Å; N475-E479 PolarHBondContact O-N 3.21Å; A477-E479 PolarHBondContact O-N 3.28Å; E479-E481 PolarHBondContact O-N 2.84Å; E479-K482 PolarHBondContact O-N 3.11Å; E479-K482 IonicContact OE1-NZ 3.69Å; E479-K482 PolarHBondContact OE1-NZ 3.34Å; E479-K482 IonicContact OE2-NZ 2.87Å; E479-E483 WeakPolarHBondContact O-CG 3.39Å; E479-E483 PolarHBondContact O-N 2.87Å
480R90Very high90.8Very high157 Ų15799.5 Ų99.559%0.59250%0.5SS*.Hα-helixtrans-62.7-41.1173.6-75.5-177.9-172.9114.6-0.8112.5C476 A477 K482 E483 E484C476-R480 WeakPolarHBondContact O-CG 3.42Å; C476-R480 PolarHBondContact O-N 3.47Å; A477-R480 WeakPolarHBondContact O-CB 3.3Å; A477-R480 PolarHBondContact O-N 2.88Å; R480-K482 VanDerWaalsContact C-N 3.31Å; R480-K482 PolarHBondContact O-N 3.29Å; R480-E483 PolarHBondContact O-N 3Å; R480-E484 WeakPolarHBondContact O-CB 3.39Å; R480-E484 WeakPolarHBondContact O-CG 3.43Å; R480-E484 PolarHBondContact O-N 3.24Å
481E89.1Confident90.7Very high127 Ų12798.9 Ų98.959%0.59350%0.499SS*.Hα-helixtrans-63.6-37.5177-74.2-172.1157.600112.2A477 L478 E479 A485A477-E481 PolarHBondContact O-N 3.47Å; L478-E481 PolarHBondContact O-N 3.09Å; E479-E481 PolarHBondContact O-N 2.84Å; E481-A485 WeakPolarHBondContact O-CB 3.38Å; E481-A485 PolarHBondContact O-N 3.42Å
482K90.5Very high90.7Very high110 Ų11098 Ų9848%0.47850%0.496SS..Hα-helixtrans-64-48.4173.1-69.7172.7-170.3169.50111.5L478 E479 R480 E484 A485 E486L478-K482 WeakPolarHBondContact O-CG 3.35Å; L478-K482 PolarHBondContact O-N 2.84Å; L478-K482 VanDerWaalsContact O-N 3.1Å; E479-K482 PolarHBondContact O-N 3.11Å; E479-K482 IonicContact OE1-NZ 3.69Å; E479-K482 PolarHBondContact OE1-NZ 3.34Å; E479-K482 IonicContact OE2-NZ 2.87Å; R480-K482 VanDerWaalsContact C-N 3.31Å; R480-K482 PolarHBondContact O-N 3.29Å; K482-E484 VanDerWaalsContact C-N 3.31Å; K482-E484 PolarHBondContact O-N 2.87Å; K482-A485 PolarHBondContact O-N 2.91Å; K482-E486 WeakPolarHBondContact O-CG 3.37Å; K482-E486 PolarHBondContact O-N 3.49Å
483E90.8Very high90.5Very high118 Ų11898.8 Ų98.855%0.55149%0.493SS*.Hα-helixtrans-60-41.4177.3-72.2177.4173.300111.5E479 R480 E486 L487E479-E483 WeakPolarHBondContact O-CG 3.39Å; E479-E483 PolarHBondContact O-N 2.87Å; R480-E483 PolarHBondContact O-N 3Å; E483-E486 PolarHBondContact O-N 3.34Å; E483-L487 WeakPolarHBondContact O-CB 3.32Å; E483-L487 PolarHBondContact O-N 3.39Å
484E89.3Confident90.5Very high107 Ų10798.2 Ų98.250%0.549%0.493SS..Hα-helixtrans-66-38.3175.1-77.8-175.2-170.900112.7R480 K482 L487 K488R480-E484 WeakPolarHBondContact O-CB 3.39Å; R480-E484 WeakPolarHBondContact O-CG 3.43Å; R480-E484 PolarHBondContact O-N 3.24Å; K482-E484 VanDerWaalsContact C-N 3.31Å; K482-E484 PolarHBondContact O-N 2.87Å; E484-L487 PolarHBondContact O-N 2.9Å; E484-K488 VanDerWaalsContact O-CG 3.3Å; E484-K488 WeakPolarHBondContact O-CG 3.37Å; E484-K488 PolarHBondContact O-N 2.95Å
485A87Confident90.5Very high48 Ų4897.6 Ų97.640%0.39749%0.489SS..Hα-helixtrans-66.2-43.7175.500000111.5E481 K482 K488 I489E481-A485 WeakPolarHBondContact O-CB 3.38Å; E481-A485 PolarHBondContact O-N 3.42Å; K482-A485 PolarHBondContact O-N 2.91Å; A485-K488 PolarHBondContact O-N 3.36Å; A485-I489 WeakPolarHBondContact O-CG1 3.47Å; A485-I489 PolarHBondContact O-N 3.4Å
486E90.2Very high90.5Very high124 Ų12499.4 Ų99.458%0.57949%0.493SS*.Hα-helixtrans-62.7-42.6174.4-72.4-176.7-178.800111.6K482 E483 K488 I489 L490K482-E486 WeakPolarHBondContact O-CG 3.37Å; K482-E486 PolarHBondContact O-N 3.49Å; E483-E486 PolarHBondContact O-N 3.34Å; E486-K488 PolarHBondContact O-N 2.81Å; E486-I489 PolarHBondContact O-N 3.33Å; E486-L490 WeakPolarHBondContact O-CB 3.34Å; E486-L490 WeakPolarHBondContact O-CG 3.41Å; E486-L490 PolarHBondContact O-N 2.91Å
487L91.6Very high90.4Very high98 Ų98102.2 Ų102.251%0.51350%0.498SS..Hα-helixtrans-58.5-46.6173.6-98161.4000111.8E483 E484 I489 L490 E491E483-L487 WeakPolarHBondContact O-CB 3.32Å; E483-L487 PolarHBondContact O-N 3.39Å; E484-L487 PolarHBondContact O-N 2.9Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 3.34Å; L487-L490 PolarHBondContact O-N 3.36Å; L487-E491 WeakPolarHBondContact O-CB 3.45Å; L487-E491 VanDerWaalsContact O-CG 3.3Å; L487-E491 WeakPolarHBondContact O-CG 3.32Å; L487-E491 PolarHBondContact O-N 3.08Å
488K91.3Very high90.3Very high133 Ų133108 Ų10858%0.57851%0.511SS*.Hα-helixtrans-61-39.1177.4-75.2170.6-172.2167.30112.2E484 A485 E486 S492E484-K488 VanDerWaalsContact O-CG 3.3Å; E484-K488 WeakPolarHBondContact O-CG 3.37Å; E484-K488 PolarHBondContact O-N 2.95Å; A485-K488 PolarHBondContact O-N 3.36Å; E486-K488 PolarHBondContact O-N 2.81Å; K488-S492 WeakPolarHBondContact O-CB 3.45Å; K488-S492 PolarHBondContact O-N 3.43Å
489I89.9Confident90.2Very high95 Ų95110 Ų11049%0.48752%0.518SS..Hα-helixtrans-64-50.5175.5-66.5165.8000109.7A485 E486 L487 E491 S492 E493A485-I489 WeakPolarHBondContact O-CG1 3.47Å; A485-I489 PolarHBondContact O-N 3.4Å; E486-I489 PolarHBondContact O-N 3.33Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 3.34Å; I489-E491 VanDerWaalsContact C-N 3.35Å; I489-E491 PolarHBondContact O-N 3.49Å; I489-S492 WeakPolarHBondContact O-CB 3.34Å; I489-S492 PolarHBondContact O-N 2.9Å; I489-S492 VanDerWaalsContact O-N 3.14Å; I489-S492 PolarHBondContact O-OG 2.95Å; I489-E493 PolarHBondContact O-N 3.32Å
490L92.1Very high90.1Very high104 Ų104108.7 Ų108.755%0.54551%0.512SS..Hα-helixtrans-61.1-39.8179-74166.9000112.6E486 L487 E493 L494E486-L490 WeakPolarHBondContact O-CB 3.34Å; E486-L490 WeakPolarHBondContact O-CG 3.41Å; E486-L490 PolarHBondContact O-N 2.91Å; L487-L490 PolarHBondContact O-N 3.36Å; L490-E493 PolarHBondContact O-N 3.1Å; L490-L494 VanDerWaalsContact O-CB 3.29Å; L490-L494 WeakPolarHBondContact O-CB 3.4Å; L490-L494 PolarHBondContact O-N 2.95Å
491E90.7Very high89.9Confident113 Ų113103.2 Ų103.253%0.52850%0.501SS..Hα-helixtrans-61.6-44.4173.7-77.3179.5168.200111.2L487 I489 E493 L494 I495L487-E491 WeakPolarHBondContact O-CB 3.45Å; L487-E491 VanDerWaalsContact O-CG 3.3Å; L487-E491 WeakPolarHBondContact O-CG 3.32Å; L487-E491 PolarHBondContact O-N 3.08Å; I489-E491 VanDerWaalsContact C-N 3.35Å; I489-E491 PolarHBondContact O-N 3.49Å; E491-E493 VanDerWaalsContact C-N 3.34Å; E491-E493 PolarHBondContact O-N 2.98Å; E491-L494 PolarHBondContact O-N 3.35Å; E491-I495 VanDerWaalsContact O-CG1 3.29Å; E491-I495 WeakPolarHBondContact O-CG1 3.45Å; E491-I495 PolarHBondContact O-N 3.43Å
492S89.3Confident89.7Confident48 Ų48102.8 Ų102.834%0.33650%0.499SS..Hα-helixtrans-64.3-37.4177.283.40000112.5K488 I489 K496K488-S492 WeakPolarHBondContact O-CB 3.45Å; K488-S492 PolarHBondContact O-N 3.43Å; I489-S492 WeakPolarHBondContact O-CB 3.34Å; I489-S492 PolarHBondContact O-N 2.9Å; I489-S492 VanDerWaalsContact O-N 3.14Å; I489-S492 PolarHBondContact O-OG 2.95Å; S492-K496 WeakPolarHBondContact O-CG 3.49Å; S492-K496 PolarHBondContact O-N 3.2Å; S492-K496 VanDerWaalsContact O-N 3.09Å
493E90.4Very high89.4Confident106 Ų106103.6 Ų103.650%0.49550%0.504SS..Hα-helixtrans-69.8-40.1175.2-71.7-172.8170.400111.9I489 L490 E491 I495 K496 K497I489-E493 PolarHBondContact O-N 3.32Å; L490-E493 PolarHBondContact O-N 3.1Å; E491-E493 VanDerWaalsContact C-N 3.34Å; E491-E493 PolarHBondContact O-N 2.98Å; E493-I495 VanDerWaalsContact C-N 3.35Å; E493-K496 PolarHBondContact O-N 3.01Å; E493-K497 WeakPolarHBondContact O-CB 3.44Å; E493-K497 WeakPolarHBondContact O-CG 3.46Å; E493-K497 PolarHBondContact O-N 3.27Å
494L92.6Very high89Confident107 Ų107104.4 Ų104.456%0.5650%0.502SS*.Hα-helixtrans-62.6-42.2175.7-174.9130.1000111.1L490 E491 K497 R498L490-L494 VanDerWaalsContact O-CB 3.29Å; L490-L494 WeakPolarHBondContact O-CB 3.4Å; L490-L494 PolarHBondContact O-N 2.95Å; E491-L494 PolarHBondContact O-N 3.35Å; L494-K497 PolarHBondContact O-N 2.77Å; L494-R498 VanDerWaalsContact O-CB 3.26Å; L494-R498 WeakPolarHBondContact O-CB 3.22Å; L494-R498 PolarHBondContact O-N 2.91Å
495I92.4Very high88.6Confident93 Ų93102 Ų10248%0.47749%0.492SS..Hα-helixtrans-60.1-52.3173.8-68.5165.2000110.2E491 E493 K497 R498 E499E491-I495 VanDerWaalsContact O-CG1 3.29Å; E491-I495 WeakPolarHBondContact O-CG1 3.45Å; E491-I495 PolarHBondContact O-N 3.43Å; E493-I495 VanDerWaalsContact C-N 3.35Å; I495-K497 VanDerWaalsContact C-N 3.32Å; I495-K497 PolarHBondContact O-N 3.35Å; I495-R498 WeakPolarHBondContact O-CB 3.42Å; I495-R498 PolarHBondContact O-N 2.9Å; I495-R498 VanDerWaalsContact O-N 3.09Å; I495-E499 HydrophobicContact CG2-CG 4.45Å; I495-E499 WeakPolarHBondContact O-CG 3.12Å; I495-E499 PolarHBondContact O-N 3.03Å
496K89.9Confident88.4Confident125 Ų125103 Ų10354%0.54350%0.5SS..Hα-helixtrans-56.7-44177.8-72.5174-174.5172.90112.2S492 E493 R498 E499 E500S492-K496 WeakPolarHBondContact O-CG 3.49Å; S492-K496 PolarHBondContact O-N 3.2Å; S492-K496 VanDerWaalsContact O-N 3.09Å; E493-K496 PolarHBondContact O-N 3.01Å; K496-R498 VanDerWaalsContact C-N 3.33Å; K496-R498 PolarHBondContact O-N 3.34Å; K496-E499 PolarHBondContact O-N 3.29Å; K496-E500 WeakPolarHBondContact O-CG 3.32Å; K496-E500 PolarHBondContact O-N 3.02Å
497K89.7Confident88.1Confident121 Ų121102.6 Ų102.653%0.52650%0.502SS..Hα-helixtrans-66.5-35.8178.2-73.6-68.9167.1-145.40112.5E493 L494 I495 E500 A501E493-K497 WeakPolarHBondContact O-CB 3.44Å; E493-K497 WeakPolarHBondContact O-CG 3.46Å; E493-K497 PolarHBondContact O-N 3.27Å; L494-K497 PolarHBondContact O-N 2.77Å; I495-K497 VanDerWaalsContact C-N 3.32Å; I495-K497 PolarHBondContact O-N 3.35Å; K497-E500 IonicContact NZ-OE1 3.95Å; K497-E500 PolarHBondContact NZ-OE1 3.38Å; K497-E500 IonicContact NZ-OE2 2.98Å; K497-E500 PolarHBondContact NZ-OE2 3.3Å; K497-E500 VanDerWaalsContact NZ-OE2 3.08Å; K497-A501 VanDerWaalsContact O-CB 3.28Å; K497-A501 WeakPolarHBondContact O-CB 3.49Å; K497-A501 PolarHBondContact O-N 2.76Å
498R88.8Confident87.5Confident163 Ų163102.5 Ų102.562%0.61550%0.499SS*.Hα-helixtrans-67.3-43.4175.2-157.1176.3-161.4148.62.4111L494 I495 K496 A501 Q502L494-R498 VanDerWaalsContact O-CB 3.26Å; L494-R498 WeakPolarHBondContact O-CB 3.22Å; L494-R498 PolarHBondContact O-N 2.91Å; I495-R498 WeakPolarHBondContact O-CB 3.42Å; I495-R498 PolarHBondContact O-N 2.9Å; I495-R498 VanDerWaalsContact O-N 3.09Å; K496-R498 VanDerWaalsContact C-N 3.33Å; K496-R498 PolarHBondContact O-N 3.34Å; R498-A501 PolarHBondContact O-N 3.13Å; R498-Q502 WeakPolarHBondContact O-CB 3.39Å; R498-Q502 VanDerWaalsContact O-CG 3.3Å; R498-Q502 WeakPolarHBondContact O-CG 3.38Å; R498-Q502 PolarHBondContact O-N 2.94Å
499E89.1Confident86.9Confident115 Ų115100.4 Ų100.454%0.53749%0.493SS..Hα-helixtrans-62.6-46.3174.1-71.8177.8168.100111.8I495 K496 A501 Q502 H503I495-E499 HydrophobicContact CG2-CG 4.45Å; I495-E499 WeakPolarHBondContact O-CG 3.12Å; I495-E499 PolarHBondContact O-N 3.03Å; K496-E499 PolarHBondContact O-N 3.29Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.7Å; E499-Q502 PolarHBondContact O-N 3.37Å; E499-H503 VanDerWaalsContact O-CB 3.3Å; E499-H503 WeakPolarHBondContact O-CB 3.07Å; E499-H503 PolarHBondContact O-N 2.77Å
500E87.8Confident86.3Confident70 Ų70104.6 Ų104.633%0.32751%0.508SS..Hα-helixtrans-59.9-42.1175.1-73.5177.5-155.900111.9K496 K497 H503 R504K496-E500 WeakPolarHBondContact O-CG 3.32Å; K496-E500 PolarHBondContact O-N 3.02Å; K497-E500 IonicContact NZ-OE1 3.95Å; K497-E500 PolarHBondContact NZ-OE1 3.38Å; K497-E500 IonicContact NZ-OE2 2.98Å; K497-E500 PolarHBondContact NZ-OE2 3.3Å; K497-E500 VanDerWaalsContact NZ-OE2 3.08Å; E500-H503 PolarHBondContact O-N 3.47Å; E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 WeakPolarHBondContact O-CG 3.47Å; E500-R504 PolarHBondContact O-N 2.9Å; E500-R504 IonicContact OE2-CZ 3.46Å; E500-R504 IonicContact OE2-NH1 2.69Å; E500-R504 PolarHBondContact OE2-NH1 3.34Å; E500-R504 IonicContact OE2-NH2 3.25Å; E500-R504 PolarHBondContact OE2-NH2 3.13Å
501A84.8Confident85.6Confident42 Ų42103.2 Ų103.235%0.34750%0.504SS..Hα-helixtrans-66.1-44.5177.900000111.3K497 R498 E499 R504 L505K497-A501 VanDerWaalsContact O-CB 3.28Å; K497-A501 WeakPolarHBondContact O-CB 3.49Å; K497-A501 PolarHBondContact O-N 2.76Å; R498-A501 PolarHBondContact O-N 3.13Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.7Å; A501-R504 PolarHBondContact O-N 2.92Å; A501-L505 WeakPolarHBondContact O-CB 3.33Å; A501-L505 WeakPolarHBondContact O-CD1 3.47Å; A501-L505 WeakPolarHBondContact O-CG 3.44Å; A501-L505 PolarHBondContact O-N 2.9Å
502Q84.7Confident84.9Confident119 Ų11999.4 Ų99.456%0.55649%0.487SS*.Hα-helixtrans-62.4-41.3174.5-76.5177.9-11.800111.8R498 E499 L505 A506R498-Q502 WeakPolarHBondContact O-CB 3.39Å; R498-Q502 VanDerWaalsContact O-CG 3.3Å; R498-Q502 WeakPolarHBondContact O-CG 3.38Å; R498-Q502 PolarHBondContact O-N 2.94Å; E499-Q502 PolarHBondContact O-N 3.37Å; Q502-L505 PolarHBondContact O-N 3.36Å; Q502-A506 WeakPolarHBondContact O-CB 3.45Å; Q502-A506 PolarHBondContact O-N 3Å
503H85.6Confident84.3Confident126 Ų12699.2 Ų99.258%0.58349%0.486SS*.Hα-helixtrans-63.5-45.2176.6-17767000112E499 E500 L505 A506 L507E499-H503 VanDerWaalsContact O-CB 3.3Å; E499-H503 WeakPolarHBondContact O-CB 3.07Å; E499-H503 PolarHBondContact O-N 2.77Å; E500-H503 PolarHBondContact O-N 3.47Å; H503-L505 VanDerWaalsContact C-N 3.31Å; H503-L505 PolarHBondContact O-N 3.13Å; H503-A506 PolarHBondContact O-N 2.9Å; H503-L507 WeakPolarHBondContact O-CB 3.45Å; H503-L507 PolarHBondContact O-N 3.45Å
504R82.3Confident83.6Confident136 Ų136104.8 Ų104.851%0.51350%0.502SS..Hα-helixtrans-62-39.3174.9-77.1-174.4-80.6-103.80112.1E500 A501 H508E500-R504 WeakPolarHBondContact O-CB 3.42Å; E500-R504 WeakPolarHBondContact O-CG 3.47Å; E500-R504 PolarHBondContact O-N 2.9Å; E500-R504 IonicContact OE2-CZ 3.46Å; E500-R504 IonicContact OE2-NH1 2.69Å; E500-R504 PolarHBondContact OE2-NH1 3.34Å; E500-R504 IonicContact OE2-NH2 3.25Å; E500-R504 PolarHBondContact OE2-NH2 3.13Å; A501-R504 PolarHBondContact O-N 2.92Å; R504-H508 PolarHBondContact O-CD2 3.14Å; R504-H508 VanDerWaalsContact O-CD2 3.26Å; R504-H508 PolarHBondContact O-N 3.38Å
505L81.4Confident82.8Confident55 Ų55103.9 Ų103.929%0.28850%0.497SS..Hα-helixtrans-64.5-48.1174.8-78.3161.2000111.7A501 Q502 H503 L507 H508 D509 I512 L521A501-L505 WeakPolarHBondContact O-CB 3.33Å; A501-L505 WeakPolarHBondContact O-CD1 3.47Å; A501-L505 WeakPolarHBondContact O-CG 3.44Å; A501-L505 PolarHBondContact O-N 2.9Å; Q502-L505 PolarHBondContact O-N 3.36Å; H503-L505 VanDerWaalsContact C-N 3.31Å; H503-L505 PolarHBondContact O-N 3.13Å; L505-L507 VanDerWaalsContact C-N 3.32Å; L505-L507 PolarHBondContact O-N 2.94Å; L505-H508 CarbonylContact O-C 3.59Å; L505-H508 PolarHBondContact O-N 3.47Å; L505-D509 WeakPolarHBondContact O-CA 3.4Å; L505-D509 WeakPolarHBondContact O-CB 3.34Å; L505-D509 PolarHBondContact O-N 3.05Å; L505-I512 HydrophobicContact CD2-CD1 4.3Å; L505-L521 HydrophobicContact CD1-CD1 3.37Å; L505-L521 HydrophobicContact CD1-CD2 4.03Å; L505-L521 HydrophobicContact CD1-CG 4.37Å; L505-L521 HydrophobicContact CD2-CD1 3.19Å; L505-L521 HydrophobicContact CG-CD1 3.86Å
506A81.9Confident82.1Confident69 Ų69101.1 Ų101.157%0.5748%0.482SS*.Hα-helixtrans-60.2-39.817800000112.5Q502 H503 H508 D509Q502-A506 WeakPolarHBondContact O-CB 3.45Å; Q502-A506 PolarHBondContact O-N 3Å; H503-A506 PolarHBondContact O-N 2.9Å; A506-H508 PolarHBondContact O-N 3.49Å; A506-D509 WeakPolarHBondContact O-CB 3.47Å; A506-D509 PolarHBondContact O-N 3.43Å
507L82.8Confident81.3Confident117 Ų11798.7 Ų98.761%0.61349%0.485SS*.Hα-helixtrans-63-42.8178.2-162.189.7000111.9H503 L505H503-L507 WeakPolarHBondContact O-CB 3.45Å; H503-L507 PolarHBondContact O-N 3.45Å; L505-L507 VanDerWaalsContact C-N 3.32Å; L505-L507 PolarHBondContact O-N 2.94Å
508H79.6Confident80.1Confident96 Ų96100 Ų10044%0.44450%0.498SS..Hα-helixtrans-92.5-0.3-178.3-66.3-58.7000113.5R504 L505 A506 K510 T511 I512R504-H508 PolarHBondContact O-CD2 3.14Å; R504-H508 VanDerWaalsContact O-CD2 3.26Å; R504-H508 PolarHBondContact O-N 3.38Å; L505-H508 CarbonylContact O-C 3.59Å; L505-H508 PolarHBondContact O-N 3.47Å; A506-H508 PolarHBondContact O-N 3.49Å; H508-K510 PolarHBondContact O-N 3.39Å; H508-T511 CarbonylContact O-C 3.51Å; H508-T511 WeakPolarHBondContact O-CA 3.43Å; H508-T511 WeakPolarHBondContact O-CB 3.33Å; H508-T511 PolarHBondContact O-N 3.14Å; H508-I512 HydrophobicContact CB-CD1 3.82Å; H508-I512 HydrophobicContact CB-CG1 4.21Å; H508-I512 WeakPolarHBondContact O-CG1 3.49Å; H508-I512 PolarHBondContact O-N 3.25Å
509D78.3Confident79Confident88 Ų8893.3 Ų93.347%0.47148%0.475SS..Hα-helixtrans-55.3-49.7-173.2-170.858.9000111.5L505 A506 T511 I512 S513L505-D509 WeakPolarHBondContact O-CA 3.4Å; L505-D509 WeakPolarHBondContact O-CB 3.34Å; L505-D509 PolarHBondContact O-N 3.05Å; A506-D509 WeakPolarHBondContact O-CB 3.47Å; A506-D509 PolarHBondContact O-N 3.43Å; D509-T511 VanDerWaalsContact C-N 3.26Å; D509-T511 PolarHBondContact O-N 2.93Å; D509-I512 PolarHBondContact O-N 3.18Å; D509-S513 VanDerWaalsContact O-CB 3.3Å; D509-S513 WeakPolarHBondContact O-CB 3.44Å; D509-S513 PolarHBondContact O-N 3.13Å; D509-S513 PolarHBondContact O-OG 2.95Å
510K78.1Confident78Confident183 Ų18396 Ų9680%0.79649%0.485SS*.Hα-helixtrans-57.8-37.4176-66.1-174.6-179.1179.80113.1H508 R514H508-K510 PolarHBondContact O-N 3.39Å; K510-R514 WeakPolarHBondContact O-CB 3.48Å; K510-R514 PolarHBondContact O-N 3.48Å; K510-R514 VanDerWaalsContact O-N 3.07Å
511T77.3Confident77Confident76 Ų7697.7 Ų97.747%0.46650%0.496SS..Hα-helixtrans-75.2-41.3179.7-50.80000111.3H508 D509 R514 L515H508-T511 CarbonylContact O-C 3.51Å; H508-T511 WeakPolarHBondContact O-CA 3.43Å; H508-T511 WeakPolarHBondContact O-CB 3.33Å; H508-T511 PolarHBondContact O-N 3.14Å; D509-T511 VanDerWaalsContact C-N 3.26Å; D509-T511 PolarHBondContact O-N 2.93Å; T511-R514 PolarHBondContact O-N 3.42Å; T511-L515 HydrophobicContact CG2-CD1 4Å; T511-L515 WeakPolarHBondContact O-CB 3.31Å; T511-L515 WeakPolarHBondContact O-CG 3.45Å; T511-L515 PolarHBondContact O-N 2.8Å
512I75.3Confident76.2Confident33 Ų33103 Ų10317%0.16952%0.518CS..Hα-helixtrans-64.5-48.6177-68.6165.2000109.6L505 H508 D509 R514 L515 F516 L524L505-I512 HydrophobicContact CD2-CD1 4.3Å; H508-I512 HydrophobicContact CB-CD1 3.82Å; H508-I512 HydrophobicContact CB-CG1 4.21Å; H508-I512 WeakPolarHBondContact O-CG1 3.49Å; H508-I512 PolarHBondContact O-N 3.25Å; D509-I512 PolarHBondContact O-N 3.18Å; I512-R514 VanDerWaalsContact C-N 3.31Å; I512-R514 PolarHBondContact O-N 2.74Å; I512-L515 PolarHBondContact O-N 3.27Å; I512-F516 PolarHBondContact O-N 3.38Å; I512-L524 HydrophobicContact CD1-CD2 3.97Å; I512-L524 HydrophobicContact CG1-CD2 4.39Å; I512-L524 HydrophobicContact CG2-CD1 3.74Å; I512-L524 HydrophobicContact CG2-CD2 4.18Å
513S76.8Confident75.7Confident43 Ų4399.4 Ų99.430%0.30151%0.506SS..Hα-helixtrans-62.7-37.5177.5-59.10000111.9D509 A517D509-S513 VanDerWaalsContact O-CB 3.3Å; D509-S513 WeakPolarHBondContact O-CB 3.44Å; D509-S513 PolarHBondContact O-N 3.13Å; D509-S513 PolarHBondContact O-OG 2.95Å; S513-A517 PolarHBondContact O-N 2.9Å
514R77.4Confident75.2Confident223 Ų22394.5 Ų94.584%0.84249%0.485SS*.Hα-helixtrans-65.3-38.9174.3-178.6178.5178.8-177.40.7113.4K510 T511 I512K510-R514 WeakPolarHBondContact O-CB 3.48Å; K510-R514 PolarHBondContact O-N 3.48Å; K510-R514 VanDerWaalsContact O-N 3.07Å; T511-R514 PolarHBondContact O-N 3.42Å; I512-R514 VanDerWaalsContact C-N 3.31Å; I512-R514 PolarHBondContact O-N 2.74Å
515L75.9Confident75Confident88 Ų8895.1 Ų95.146%0.46149%0.491SS..Hα-helixtrans-92.6-31-172.7-69.6174.5000113.6T511 I512T511-L515 HydrophobicContact CG2-CD1 4Å; T511-L515 WeakPolarHBondContact O-CB 3.31Å; T511-L515 WeakPolarHBondContact O-CG 3.45Å; T511-L515 PolarHBondContact O-N 2.8Å; I512-L515 PolarHBondContact O-N 3.27Å
516F77.3Confident75Confident35 Ų3596.3 Ų96.315%0.15450%0.501CS..Hα-helixtrans-125.7-11.6-168-60.9-76.6000115.4I512 V519 L524 K527 V528 F531I512-F516 PolarHBondContact O-N 3.38Å; F516-V519 HydrophobicContact CB-CG2 3.67Å; F516-V519 WeakPolarHBondContact O-CG2 3.37Å; F516-L524 HydrophobicContact CB-CD1 4.42Å; F516-L524 HydrophobicContact CD2-CD1 4.11Å; F516-L524 HydrophobicContact CG-CD1 4.27Å; F516-K527 HydrophobicContact CD1-CB 4.11Å; F516-K527 HydrophobicContact CE1-CB 4.37Å; F516-V528 HydrophobicContact CD2-CG2 4.41Å; F516-V528 HydrophobicContact CE1-CG2 4.13Å; F516-V528 HydrophobicContact CE2-CG2 3.66Å; F516-V528 HydrophobicContact CZ-CB 4.11Å; F516-V528 HydrophobicContact CZ-CG2 3.5Å; F516-V528 VanDerWaalsContact CZ-CG2 3.5Å; F516-F531 HydrophobicContact CE1-CB 3.65Å; F516-F531 HydrophobicContact CE1-CG 4.02Å; F516-F531 HydrophobicContact CZ-CB 4.06Å; F516-F531 HydrophobicContact CZ-CD1 4.24Å; F516-F531 HydrophobicContact CZ-CG 4.19Å
517A71.7Confident74.9Confident74 Ų7497.4 Ų97.461%0.61249%0.492SS*.SBendtrans52.6102.4-178.700000114.9S513 V519S513-A517 PolarHBondContact O-N 2.9Å; A517-V519 WeakPolarHBondContact O-CG2 3.49Å; A517-V519 PolarHBondContact O-N 2.82Å
518D65.7Low74.9Confident150 Ų15094.1 Ų94.180%0.80248%0.477SS*.SBendtrans31.264.3176.1-80.7-8.2000115.3
519V64.5Low75.1Confident21 Ų2194.5 Ų94.513%0.12748%0.479CS..  trans-94.2129.5-179.6-177.90000110.4F516 A517 L521 S523 L524 K527F516-V519 HydrophobicContact CB-CG2 3.67Å; F516-V519 WeakPolarHBondContact O-CG2 3.37Å; A517-V519 WeakPolarHBondContact O-CG2 3.49Å; A517-V519 PolarHBondContact O-N 2.82Å; V519-L521 PolarHBondContact O-N 3.22Å; V519-S523 WeakPolarHBondContact CG1-OG 3.32Å; V519-L524 HydrophobicContact CB-CD1 4.33Å; V519-L524 HydrophobicContact CG1-CB 4.42Å; V519-L524 HydrophobicContact CG1-CD1 4.43Å; V519-K527 HydrophobicContact CB-CD 4.46Å; V519-K527 HydrophobicContact CG1-CD 3.74Å; V519-K527 HydrophobicContact CG2-CD 3.85Å; V519-K527 VanDerWaalsContact CG2-NZ 3.29Å
520K69.3Low75.5Confident172 Ų17296.5 Ų96.575%0.74849%0.487SS*.  trans-57.8135171.9-65.3-173.4179.1-176.60110.8D522 S523 L524K520-D522 VanDerWaalsContact C-N 3.26Å; K520-D522 PolarHBondContact O-N 2.81Å; K520-D522 VanDerWaalsContact O-N 3.11Å; K520-S523 PolarHBondContact O-N 3.39Å; K520-S523 PolarHBondContact O-OG 3.09Å; K520-L524 PolarHBondContact O-N 3.42Å
521L66.1Low75.8Confident105 Ų10591.3 Ų91.355%0.5547%0.465SS..Hα-helixtrans-48.5-43.4-172.4-162.875.6000113.7L505 V519 S523 L524L505-L521 HydrophobicContact CD1-CD1 3.37Å; L505-L521 HydrophobicContact CD1-CD2 4.03Å; L505-L521 HydrophobicContact CD1-CG 4.37Å; L505-L521 HydrophobicContact CD2-CD1 3.19Å; L505-L521 HydrophobicContact CG-CD1 3.86Å; V519-L521 PolarHBondContact O-N 3.22Å; L521-S523 PolarHBondContact O-N 2.86Å; L521-L524 WeakPolarHBondContact O-CB 3.48Å; L521-L524 PolarHBondContact O-N 2.96Å
522D68.3Low76.3Confident153 Ų15391.4 Ų91.482%0.81846%0.462SS*.Hα-helixtrans-63.3-28.1-177.7-56-32.3000113K520K520-D522 VanDerWaalsContact C-N 3.26Å; K520-D522 PolarHBondContact O-N 2.81Å; K520-D522 VanDerWaalsContact O-N 3.11Å
523S74.1Confident76.9Confident44 Ų4491.8 Ų91.831%0.30847%0.471SS..Hα-helixtrans-96.8-8.4-179.266.70000114V519 K520 L521 K525 T526 K527V519-S523 WeakPolarHBondContact CG1-OG 3.32Å; K520-S523 PolarHBondContact O-N 3.39Å; K520-S523 PolarHBondContact O-OG 3.09Å; L521-S523 PolarHBondContact O-N 2.86Å; S523-K525 PolarHBondContact O-N 3.37Å; S523-T526 PolarHBondContact O-N 3.26Å; S523-K527 PolarHBondContact O-N 2.96Å
524L75.8Confident77.5Confident24 Ų2494.3 Ų94.313%0.12648%0.477CS..Hα-helixtrans-63.7-42.3-176-176.166.4000111.4I512 F516 V519 K520 L521 T526 K527 V528I512-L524 HydrophobicContact CD1-CD2 3.97Å; I512-L524 HydrophobicContact CG1-CD2 4.39Å; I512-L524 HydrophobicContact CG2-CD1 3.74Å; I512-L524 HydrophobicContact CG2-CD2 4.18Å; F516-L524 HydrophobicContact CB-CD1 4.42Å; F516-L524 HydrophobicContact CD2-CD1 4.11Å; F516-L524 HydrophobicContact CG-CD1 4.27Å; V519-L524 HydrophobicContact CB-CD1 4.33Å; V519-L524 HydrophobicContact CG1-CB 4.42Å; V519-L524 HydrophobicContact CG1-CD1 4.43Å; K520-L524 PolarHBondContact O-N 3.42Å; L521-L524 WeakPolarHBondContact O-CB 3.48Å; L521-L524 PolarHBondContact O-N 2.96Å; L524-T526 PolarHBondContact O-N 3.48Å; L524-K527 PolarHBondContact O-N 2.93Å; L524-V528 HydrophobicContact CD1-CG2 4.2Å; L524-V528 HydrophobicContact CG-CG2 4.19Å; L524-V528 VanDerWaalsContact O-CG2 3.23Å; L524-V528 WeakPolarHBondContact O-CG2 3.22Å; L524-V528 PolarHBondContact O-N 2.69Å
525K78.7Confident78.1Confident148 Ų14888.2 Ų88.264%0.64346%0.457SS*.Hα-helixtrans-55.6-52.2179.1-177-178.1174.8-174.30111.5S523 K527 V528 E529S523-K525 PolarHBondContact O-N 3.37Å; K525-K527 VanDerWaalsContact C-N 3.35Å; K525-K527 PolarHBondContact O-N 3.33Å; K525-V528 PolarHBondContact O-N 3.1Å; K525-E529 WeakPolarHBondContact CE-OE1 3.45Å; K525-E529 WeakPolarHBondContact O-CG 3.44Å; K525-E529 PolarHBondContact O-N 3.49Å
526T80.2Confident78.7Confident81 Ų8191.3 Ų91.350%0.49746%0.463SS..Hα-helixtrans-62.3-41.7-178.9-44.40000111.6S523 L524 E529 M530S523-T526 PolarHBondContact O-N 3.26Å; L524-T526 PolarHBondContact O-N 3.48Å; T526-E529 PolarHBondContact O-N 3.14Å; T526-M530 HydrophobicContact CG2-SD 4.49Å; T526-M530 VanDerWaalsContact O-CG 3.29Å; T526-M530 WeakPolarHBondContact O-CG 3.26Å; T526-M530 PolarHBondContact O-N 3.19Å
527K80.4Confident79.4Confident91 Ų9193.8 Ų93.840%0.39648%0.477SS..Hα-helixtrans-67.7-37.9177.9-71.9-166.9-169.7178.40112.9F516 V519 S523 L524 K525 M530 F531F516-K527 HydrophobicContact CD1-CB 4.11Å; F516-K527 HydrophobicContact CE1-CB 4.37Å; V519-K527 HydrophobicContact CB-CD 4.46Å; V519-K527 HydrophobicContact CG1-CD 3.74Å; V519-K527 HydrophobicContact CG2-CD 3.85Å; V519-K527 VanDerWaalsContact CG2-NZ 3.29Å; S523-K527 PolarHBondContact O-N 2.96Å; L524-K527 PolarHBondContact O-N 2.93Å; K525-K527 VanDerWaalsContact C-N 3.35Å; K525-K527 PolarHBondContact O-N 3.33Å; K527-M530 PolarHBondContact O-N 3.39Å; K527-F531 WeakPolarHBondContact O-CB 3.48Å; K527-F531 PolarHBondContact O-N 3.11Å
528V81.7Confident80.4Confident49 Ų4994 Ų9430%0.29747%0.466SS..Hα-helixtrans-63.4-44.6174.61720000110.3F516 L524 K525 M530 F531 L532F516-V528 HydrophobicContact CD2-CG2 4.41Å; F516-V528 HydrophobicContact CE1-CG2 4.13Å; F516-V528 HydrophobicContact CE2-CG2 3.66Å; F516-V528 HydrophobicContact CZ-CB 4.11Å; F516-V528 HydrophobicContact CZ-CG2 3.5Å; F516-V528 VanDerWaalsContact CZ-CG2 3.5Å; L524-V528 HydrophobicContact CD1-CG2 4.2Å; L524-V528 HydrophobicContact CG-CG2 4.19Å; L524-V528 VanDerWaalsContact O-CG2 3.23Å; L524-V528 WeakPolarHBondContact O-CG2 3.22Å; L524-V528 PolarHBondContact O-N 2.69Å; K525-V528 PolarHBondContact O-N 3.1Å; V528-M530 PolarHBondContact O-N 3.39Å; V528-F531 PolarHBondContact O-N 2.96Å; V528-L532 HydrophobicContact CG1-CD1 3.99Å; V528-L532 HydrophobicContact CG1-CG 4.36Å; V528-L532 WeakPolarHBondContact O-CB 3.46Å; V528-L532 VanDerWaalsContact O-CG 3.3Å; V528-L532 WeakPolarHBondContact O-CG 3.38Å; V528-L532 PolarHBondContact O-N 2.9Å
529E84.8Confident81.6Confident103 Ų10392.4 Ų92.448%0.48146%0.457SS..Hα-helixtrans-61.9-43.1177.2-73.5172.3178.200111.9K525 T526 L532 A533K525-E529 WeakPolarHBondContact CE-OE1 3.45Å; K525-E529 WeakPolarHBondContact O-CG 3.44Å; K525-E529 PolarHBondContact O-N 3.49Å; T526-E529 PolarHBondContact O-N 3.14Å; E529-L532 PolarHBondContact O-N 3.49Å; E529-A533 WeakPolarHBondContact O-CB 3.41Å; E529-A533 PolarHBondContact O-N 3.34Å
530M85.4Confident82.8Confident130 Ų13098.4 Ų98.464%0.6448%0.481SS*.Hα-helixtrans-62.7-44.4174.3-71.8177.769.900112.4T526 K527 V528 A533 E534T526-M530 HydrophobicContact CG2-SD 4.49Å; T526-M530 VanDerWaalsContact O-CG 3.29Å; T526-M530 WeakPolarHBondContact O-CG 3.26Å; T526-M530 PolarHBondContact O-N 3.19Å; K527-M530 PolarHBondContact O-N 3.39Å; V528-M530 PolarHBondContact O-N 3.39Å; M530-A533 WeakPolarHBondContact O-CB 3.46Å; M530-A533 PolarHBondContact O-N 3.14Å; M530-E534 PolarHBondContact O-N 3.19Å
531F85.4Confident83.9Confident74 Ų7496.3 Ų96.333%0.32547%0.474SS..Hα-helixtrans-65.4-39.4178.4-179.4-95.7000112.3F516 K527 V528 A533 E534 K535F516-F531 HydrophobicContact CE1-CB 3.65Å; F516-F531 HydrophobicContact CE1-CG 4.02Å; F516-F531 HydrophobicContact CZ-CB 4.06Å; F516-F531 HydrophobicContact CZ-CD1 4.24Å; F516-F531 HydrophobicContact CZ-CG 4.19Å; K527-F531 WeakPolarHBondContact O-CB 3.48Å; K527-F531 PolarHBondContact O-N 3.11Å; V528-F531 PolarHBondContact O-N 2.96Å; F531-A533 VanDerWaalsContact C-N 3.34Å; F531-E534 PolarHBondContact O-N 3.09Å; F531-K535 HydrophobicContact CD1-CG 4.26Å; F531-K535 HydrophobicContact CE1-CG 3.82Å; F531-K535 HydrophobicContact CE2-CG 4.36Å; F531-K535 HydrophobicContact CZ-CD 4.35Å; F531-K535 HydrophobicContact CZ-CG 3.88Å; F531-K535 WeakPolarHBondContact O-CG 3.41Å; F531-K535 PolarHBondContact O-N 2.93Å
532L87.1Confident85Confident78 Ų7895 Ų9541%0.40847%0.473SS..Hα-helixtrans-65.1-38.6174-72.7174.3000111.7V528 E529 R536V528-L532 HydrophobicContact CG1-CD1 3.99Å; V528-L532 HydrophobicContact CG1-CG 4.36Å; V528-L532 WeakPolarHBondContact O-CB 3.46Å; V528-L532 VanDerWaalsContact O-CG 3.3Å; V528-L532 WeakPolarHBondContact O-CG 3.38Å; V528-L532 PolarHBondContact O-N 2.9Å; E529-L532 PolarHBondContact O-N 3.49Å; L532-R536 WeakPolarHBondContact O-CB 3.43Å; L532-R536 VanDerWaalsContact O-CG 3.26Å; L532-R536 WeakPolarHBondContact O-CG 3.39Å; L532-R536 PolarHBondContact O-N 2.96Å
533A87.7Confident86Confident42 Ų4290.2 Ų90.235%0.34745%0.45SS..Hα-helixtrans-63-44.8174.200000111.4E529 M530 F531 R536 N537E529-A533 WeakPolarHBondContact O-CB 3.41Å; E529-A533 PolarHBondContact O-N 3.34Å; M530-A533 WeakPolarHBondContact O-CB 3.46Å; M530-A533 PolarHBondContact O-N 3.14Å; F531-A533 VanDerWaalsContact C-N 3.34Å; A533-R536 PolarHBondContact O-N 3.39Å; A533-N537 PolarHBondContact O-N 3.12Å
534E89.8Confident86.8Confident95 Ų9591.4 Ų91.444%0.44446%0.458SS..Hα-helixtrans-61.1-48.6177.4-179.856.5-156.500112M530 F531 R536 N537 Q538M530-E534 PolarHBondContact O-N 3.19Å; F531-E534 PolarHBondContact O-N 3.09Å; E534-R536 VanDerWaalsContact C-N 3.32Å; E534-R536 PolarHBondContact O-N 3.35Å; E534-N537 PolarHBondContact O-N 3.32Å; E534-N537 VanDerWaalsContact O-N 3.11Å; E534-Q538 WeakPolarHBondContact O-CG 3.41Å; E534-Q538 PolarHBondContact O-N 3.01Å; E534-Q538 PolarHBondContact OE1-NE2 3.38Å
535K89.3Confident87.6Confident96 Ų9694.8 Ų94.842%0.41748%0.476SS..Hα-helixtrans-65.2-33.7177.5-69.2-59.7177-170.10113.3F531 N537 L539F531-K535 HydrophobicContact CD1-CG 4.26Å; F531-K535 HydrophobicContact CE1-CG 3.82Å; F531-K535 HydrophobicContact CE2-CG 4.36Å; F531-K535 HydrophobicContact CZ-CD 4.35Å; F531-K535 HydrophobicContact CZ-CG 3.88Å; F531-K535 WeakPolarHBondContact O-CG 3.41Å; F531-K535 PolarHBondContact O-N 2.93Å; K535-N537 VanDerWaalsContact C-N 3.35Å; K535-L539 WeakPolarHBondContact O-CB 3.14Å; K535-L539 PolarHBondContact O-N 3.47Å
536R90.1Very high88.2Confident152 Ų15293.1 Ų93.157%0.57447%0.472SS*.Hα-helixtrans-65.3-38.1171.6-76.7179.7-159.7134.41.3112L532 A533 E534 L539 K540L532-R536 WeakPolarHBondContact O-CB 3.43Å; L532-R536 VanDerWaalsContact O-CG 3.26Å; L532-R536 WeakPolarHBondContact O-CG 3.39Å; L532-R536 PolarHBondContact O-N 2.96Å; A533-R536 PolarHBondContact O-N 3.39Å; E534-R536 VanDerWaalsContact C-N 3.32Å; E534-R536 PolarHBondContact O-N 3.35Å; R536-L539 PolarHBondContact O-N 2.8Å; R536-K540 WeakPolarHBondContact O-CG 3.49Å; R536-K540 PolarHBondContact O-N 3.46Å
537N91.6Very high88.8Confident87 Ų8795 Ų9547%0.46548%0.475SS..Hα-helixtrans-68.8-44.6177.1-72.2-16000111.6A533 E534 K535 L539 K540 E541A533-N537 PolarHBondContact O-N 3.12Å; E534-N537 PolarHBondContact O-N 3.32Å; E534-N537 VanDerWaalsContact O-N 3.11Å; K535-N537 VanDerWaalsContact C-N 3.35Å; N537-L539 VanDerWaalsContact C-N 3.28Å; N537-L539 PolarHBondContact O-N 3.47Å; N537-K540 WeakPolarHBondContact O-CB 3.49Å; N537-K540 PolarHBondContact O-N 3.32Å; N537-K540 VanDerWaalsContact O-N 3.11Å; N537-E541 PolarHBondContact O-N 3.41Å
538Q91.4Very high89.4Confident79 Ų7993.8 Ų93.837%0.36948%0.478SS..Hα-helixtrans-58.7-40.1173.4-69.6177.96.400112E534 E541 S542E534-Q538 WeakPolarHBondContact O-CG 3.41Å; E534-Q538 PolarHBondContact O-N 3.01Å; E534-Q538 PolarHBondContact OE1-NE2 3.38Å; Q538-E541 PolarHBondContact O-N 3.22Å; Q538-S542 VanDerWaalsContact O-CB 3.29Å; Q538-S542 WeakPolarHBondContact O-CB 3.47Å; Q538-S542 PolarHBondContact O-N 3.06Å
539L91.4Very high89.9Confident116 Ų11698.3 Ų98.361%0.60749%0.494SS*.Hα-helixtrans-63.9-43.2175.3-176.267000111.6K535 R536 N537 T543K535-L539 WeakPolarHBondContact O-CB 3.14Å; K535-L539 PolarHBondContact O-N 3.47Å; R536-L539 PolarHBondContact O-N 2.8Å; N537-L539 VanDerWaalsContact C-N 3.28Å; N537-L539 PolarHBondContact O-N 3.47Å; L539-T543 WeakPolarHBondContact O-CB 3.32Å; L539-T543 PolarHBondContact O-N 2.99Å; L539-T543 PolarHBondContact O-OG1 3.24Å
540K89.4Confident90.2Very high147 Ų14799.2 Ų99.264%0.63950%0.498SS*.Hα-helixtrans-62.4-45.2176.9-76175.3178-178.10111.9R536 N537 T543 S544R536-K540 WeakPolarHBondContact O-CG 3.49Å; R536-K540 PolarHBondContact O-N 3.46Å; N537-K540 WeakPolarHBondContact O-CB 3.49Å; N537-K540 PolarHBondContact O-N 3.32Å; N537-K540 VanDerWaalsContact O-N 3.11Å; K540-T543 PolarHBondContact O-N 3.07Å; K540-S544 PolarHBondContact O-N 3.41Å
541E92.3Very high90.6Very high128 Ų12898.3 Ų98.360%0.59850%0.495SS*.Hα-helixtrans-64.5-45.6179-171.8176.1-171.400111.6N537 Q538 T543 S544 N545N537-E541 PolarHBondContact O-N 3.41Å; Q538-E541 PolarHBondContact O-N 3.22Å; E541-T543 VanDerWaalsContact C-N 3.33Å; E541-T543 PolarHBondContact O-N 2.94Å; E541-S544 PolarHBondContact O-N 3.36Å; E541-N545 WeakPolarHBondContact O-CB 3.47Å; E541-N545 PolarHBondContact O-N 3.25Å
542S89Confident91Very high77 Ų7799.2 Ų99.254%0.53850%0.503SS..Hα-helixtrans-60.5-41.9174.9-168.90000112Q538 N545 M546Q538-S542 VanDerWaalsContact O-CB 3.29Å; Q538-S542 WeakPolarHBondContact O-CB 3.47Å; Q538-S542 PolarHBondContact O-N 3.06Å; S542-N545 PolarHBondContact O-N 3.07Å; S542-M546 WeakPolarHBondContact O-CB 3.34Å; S542-M546 PolarHBondContact O-N 3.49Å
543T90.4Very high91.3Very high53 Ų53103.6 Ų103.633%0.32552%0.516SS..Hα-helixtrans-63.6-42.8176.4-52.20000111.6L539 K540 E541 M546 Q547L539-T543 WeakPolarHBondContact O-CB 3.32Å; L539-T543 PolarHBondContact O-N 2.99Å; L539-T543 PolarHBondContact O-OG1 3.24Å; K540-T543 PolarHBondContact O-N 3.07Å; E541-T543 VanDerWaalsContact C-N 3.33Å; E541-T543 PolarHBondContact O-N 2.94Å; T543-M546 PolarHBondContact O-N 3.47Å; T543-Q547 WeakPolarHBondContact O-CG 3.47Å; T543-Q547 PolarHBondContact O-N 3.36Å
544S91.1Very high91.5Very high69 Ų69104.3 Ų104.348%0.48352%0.518SS..Hα-helixtrans-64.2-39.7176.3-171.60000112.1K540 E541 Q547 S548K540-S544 PolarHBondContact O-N 3.41Å; E541-S544 PolarHBondContact O-N 3.36Å; S544-Q547 PolarHBondContact O-N 3.3Å; S544-S548 PolarHBondContact O-N 3.35Å
545N92.9Very high91.8Very high95 Ų95103 Ų10351%0.50851%0.514SS..Hα-helixtrans-66.1-40.6176.1-76.9-22.3000111.8E541 S542 S548 K549E541-N545 WeakPolarHBondContact O-CB 3.47Å; E541-N545 PolarHBondContact O-N 3.25Å; S542-N545 PolarHBondContact O-N 3.07Å; N545-S548 PolarHBondContact O-N 3.07Å; N545-K549 WeakPolarHBondContact O-CG 3.38Å; N545-K549 PolarHBondContact O-N 3.5Å
546M91.5Very high92Very high114 Ų114100.9 Ų100.956%0.56251%0.514SS*.Hα-helixtrans-60-49.2175-175179.67400111.2S542 T543 S548 K549 E550S542-M546 WeakPolarHBondContact O-CB 3.34Å; S542-M546 PolarHBondContact O-N 3.49Å; T543-M546 PolarHBondContact O-N 3.47Å; M546-S548 VanDerWaalsContact C-N 3.31Å; M546-S548 PolarHBondContact O-N 2.94Å; M546-K549 PolarHBondContact O-N 2.99Å; M546-K549 VanDerWaalsContact O-N 3.13Å; M546-E550 WeakPolarHBondContact O-CB 3.3Å; M546-E550 PolarHBondContact O-N 3.35Å
547Q92.2Very high92.1Very high120 Ų12096.4 Ų96.456%0.56150%0.504SS*.Hα-helixtrans-59.8-39.9177.7-72.4175-18.500112.6T543 S544 E550 L551T543-Q547 WeakPolarHBondContact O-CG 3.47Å; T543-Q547 PolarHBondContact O-N 3.36Å; S544-Q547 PolarHBondContact O-N 3.3Å; Q547-E550 PolarHBondContact O-N 3.01Å; Q547-L551 PolarHBondContact O-N 3.02Å
548S92.5Very high92.2Very high65 Ų6597.7 Ų97.746%0.45551%0.507SS..Hα-helixtrans-63.2-43.1174.5173.90000112.4S544 N545 M546 L551 L552S544-S548 PolarHBondContact O-N 3.35Å; N545-S548 PolarHBondContact O-N 3.07Å; M546-S548 VanDerWaalsContact C-N 3.31Å; M546-S548 PolarHBondContact O-N 2.94Å; S548-L551 PolarHBondContact O-N 3.11Å; S548-L552 WeakPolarHBondContact O-CG 3.32Å; S548-L552 PolarHBondContact O-N 2.91Å
549K92.5Very high92.3Very high144 Ų144100.3 Ų100.363%0.62652%0.519SS*.Hα-helixtrans-67.4-36.6176.4-70.5-66.9179-174.20112.7N545 M546 L552 Y553N545-K549 WeakPolarHBondContact O-CG 3.38Å; N545-K549 PolarHBondContact O-N 3.5Å; M546-K549 PolarHBondContact O-N 2.99Å; M546-K549 VanDerWaalsContact O-N 3.13Å; K549-L552 HydrophobicContact CD-CD1 4.46Å; K549-L552 PolarHBondContact O-N 3.01Å; K549-Y553 WeakPolarHBondContact O-CB 3.39Å; K549-Y553 PolarHBondContact O-N 3.04Å
550E91.6Very high92.4Very high123 Ų12399.2 Ų99.258%0.57551%0.513SS*.Hα-helixtrans-65.6-40.4176.7-161.3165.9-16300111.5M546 Q547 Y553 S554M546-E550 WeakPolarHBondContact O-CB 3.3Å; M546-E550 PolarHBondContact O-N 3.35Å; Q547-E550 PolarHBondContact O-N 3.01Å; E550-Y553 PolarHBondContact O-N 2.78Å; E550-S554 PolarHBondContact O-N 3.26Å
551L93.9Very high92.6Very high110 Ų11096.7 Ų96.758%0.57651%0.507SS*.Hα-helixtrans-63.6-45.3172.2-177.265.6000112.3Q547 S548 Y553 S554 N555Q547-L551 PolarHBondContact O-N 3.02Å; S548-L551 PolarHBondContact O-N 3.11Å; L551-Y553 VanDerWaalsContact C-N 3.34Å; L551-Y553 PolarHBondContact O-N 3.43Å; L551-S554 PolarHBondContact O-N 3.33Å; L551-N555 PolarHBondContact O-N 3.36Å
552L94.2Very high92.7Very high94 Ų9495.7 Ų95.749%0.49251%0.505SS..Hα-helixtrans-62.8-40.5177.1-72.7173.4000112.2S548 K549 N555 A556S548-L552 WeakPolarHBondContact O-CG 3.32Å; S548-L552 PolarHBondContact O-N 2.91Å; K549-L552 HydrophobicContact CD-CD1 4.46Å; K549-L552 PolarHBondContact O-N 3.01Å; L552-N555 PolarHBondContact O-N 3.42Å; L552-A556 WeakPolarHBondContact O-CB 3.5Å; L552-A556 PolarHBondContact O-N 3.27Å
553Y93.1Very high92.9Very high170 Ų17096.5 Ų96.567%0.66750%0.503SS*.Hα-helixtrans-61.9-46.3174.6176.8-102.2000111.2K549 E550 L551 N555 A556 V557K549-Y553 WeakPolarHBondContact O-CB 3.39Å; K549-Y553 PolarHBondContact O-N 3.04Å; E550-Y553 PolarHBondContact O-N 2.78Å; L551-Y553 VanDerWaalsContact C-N 3.34Å; L551-Y553 PolarHBondContact O-N 3.43Å; Y553-N555 VanDerWaalsContact C-N 3.29Å; Y553-N555 PolarHBondContact O-N 3.47Å; Y553-A556 PolarHBondContact O-N 3.33Å; Y553-V557 HydrophobicContact CD1-CG2 4.32Å; Y553-V557 HydrophobicContact CD2-CG2 4.46Å; Y553-V557 HydrophobicContact CE1-CG2 3.9Å; Y553-V557 HydrophobicContact CE2-CG2 4.05Å; Y553-V557 WeakPolarHBondContact O-CG2 3.39Å; Y553-V557 PolarHBondContact O-N 3.17Å
554S92.4Very high93Very high56 Ų5699.7 Ų99.739%0.39251%0.514SS..Hα-helixtrans-57.8-40.7175.9-174.20000112.4E550 L551 Q558E550-S554 PolarHBondContact O-N 3.26Å; L551-S554 PolarHBondContact O-N 3.33Å; S554-Q558 WeakPolarHBondContact O-CG 3.39Å; S554-Q558 PolarHBondContact O-N 3.13Å
555N94.4Very high93.1Very high69 Ų69102.2 Ų102.237%0.36952%0.518SS..Hα-helixtrans-68.7-42.5177.7-68.7-11.9000111.9L551 L552 Y553 V557 Q558 E559L551-N555 PolarHBondContact O-N 3.36Å; L552-N555 PolarHBondContact O-N 3.42Å; Y553-N555 VanDerWaalsContact C-N 3.29Å; Y553-N555 PolarHBondContact O-N 3.47Å; N555-V557 VanDerWaalsContact C-N 3.31Å; N555-V557 PolarHBondContact O-N 3.35Å; N555-Q558 PolarHBondContact O-N 3.45Å; N555-E559 PolarHBondContact O-N 3.44Å
556A93.3Very high93.1Very high51 Ų51106.2 Ų106.242%0.42153%0.526SS..Hα-helixtrans-63.5-37.1178.100000112.2L552 Y553 E559 L560L552-A556 WeakPolarHBondContact O-CB 3.5Å; L552-A556 PolarHBondContact O-N 3.27Å; Y553-A556 PolarHBondContact O-N 3.33Å; A556-E559 PolarHBondContact O-N 3.46Å; A556-L560 WeakPolarHBondContact O-CB 3.49Å; A556-L560 PolarHBondContact O-N 3.21Å
557V93.9Very high93.2Very high58 Ų58105.6 Ų105.635%0.35252%0.524SS..Hα-helixtrans-62.8-45173.8171.20000110.8Y553 N555 E559 L560 D561Y553-V557 HydrophobicContact CD1-CG2 4.32Å; Y553-V557 HydrophobicContact CD2-CG2 4.46Å; Y553-V557 HydrophobicContact CE1-CG2 3.9Å; Y553-V557 HydrophobicContact CE2-CG2 4.05Å; Y553-V557 WeakPolarHBondContact O-CG2 3.39Å; Y553-V557 PolarHBondContact O-N 3.17Å; N555-V557 VanDerWaalsContact C-N 3.31Å; N555-V557 PolarHBondContact O-N 3.35Å; V557-E559 PolarHBondContact O-N 2.89Å; V557-L560 PolarHBondContact O-N 3.32Å; V557-D561 PolarHBondContact O-N 3.43Å
558Q92.8Very high93.2Very high113 Ų113101.7 Ų101.753%0.52852%0.516SS..Hα-helixtrans-63.3-40.5176.5-71.1177.13.500112.8S554 N555 L560 L562S554-Q558 WeakPolarHBondContact O-CG 3.39Å; S554-Q558 PolarHBondContact O-N 3.13Å; N555-Q558 PolarHBondContact O-N 3.45Å; Q558-L560 VanDerWaalsContact C-N 3.32Å; Q558-L562 WeakPolarHBondContact O-CG 3.11Å; Q558-L562 PolarHBondContact O-N 3.25Å; Q558-L562 VanDerWaalsContact O-N 3.14Å
559E94.3Very high93.2Very high135 Ų135103.1 Ų103.163%0.63152%0.519SS*.Hα-helixtrans-64.2-37.8175-76.1-173.7170.200112.2N555 A556 V557 L562 L563N555-E559 PolarHBondContact O-N 3.44Å; A556-E559 PolarHBondContact O-N 3.46Å; V557-E559 PolarHBondContact O-N 2.89Å; E559-L562 PolarHBondContact O-N 3.46Å; E559-L563 WeakPolarHBondContact O-CB 3.32Å; E559-L563 WeakPolarHBondContact O-CG 3.21Å; E559-L563 PolarHBondContact O-N 3.05Å
560L93.3Very high93.1Very high93 Ų9398.8 Ų98.849%0.48751%0.51SS..Hα-helixtrans-67-45.7178.3-165138.5000111.2A556 V557 Q558 L562 L563 E564A556-L560 WeakPolarHBondContact O-CB 3.49Å; A556-L560 PolarHBondContact O-N 3.21Å; V557-L560 PolarHBondContact O-N 3.32Å; Q558-L560 VanDerWaalsContact C-N 3.32Å; L560-L562 VanDerWaalsContact C-N 3.3Å; L560-L562 PolarHBondContact O-N 3.04Å; L560-L563 PolarHBondContact O-N 3.08Å; L560-L563 VanDerWaalsContact O-N 3.14Å; L560-E564 HydrophobicContact CD2-CG 4.12Å; L560-E564 VanDerWaalsContact CD2-OE1 3.32Å; L560-E564 WeakPolarHBondContact CD2-OE1 3.33Å; L560-E564 WeakPolarHBondContact O-CG 3.25Å; L560-E564 PolarHBondContact O-N 2.76Å
561D92.9Very high93.1Very high94 Ų9497.4 Ų97.450%0.50351%0.506SS..Hα-helixtrans-56.8-43.3174.3-80.3-7.8000111.8V557 E564 Q565V557-D561 PolarHBondContact O-N 3.43Å; D561-E564 PolarHBondContact O-N 2.93Å; D561-Q565 WeakPolarHBondContact O-CB 3.3Å; D561-Q565 PolarHBondContact O-N 3.23Å
562L94Very high93Very high106 Ų10695.1 Ų95.156%0.55550%0.504SS*.Hα-helixtrans-65.4-39.2177.3-74.6169.8000112.5Q558 E559 L560 R566Q558-L562 WeakPolarHBondContact O-CG 3.11Å; Q558-L562 PolarHBondContact O-N 3.25Å; Q558-L562 VanDerWaalsContact O-N 3.14Å; E559-L562 PolarHBondContact O-N 3.46Å; L560-L562 VanDerWaalsContact C-N 3.3Å; L560-L562 PolarHBondContact O-N 3.04Å; L562-R566 WeakPolarHBondContact O-CG 3.44Å; L562-R566 PolarHBondContact O-N 3.39Å
563L93.7Very high92.8Very high94 Ų9497.3 Ų97.349%0.49251%0.511SS..Hα-helixtrans-69.1-41.8176.6-76.5170.2000111.6E559 L560 Q565 R566 I567E559-L563 WeakPolarHBondContact O-CB 3.32Å; E559-L563 WeakPolarHBondContact O-CG 3.21Å; E559-L563 PolarHBondContact O-N 3.05Å; L560-L563 PolarHBondContact O-N 3.08Å; L560-L563 VanDerWaalsContact O-N 3.14Å; L563-Q565 VanDerWaalsContact C-N 3.31Å; L563-Q565 PolarHBondContact O-N 3.28Å; L563-R566 PolarHBondContact O-N 3.3Å; L563-I567 VanDerWaalsContact O-CG1 3.29Å; L563-I567 WeakPolarHBondContact O-CG1 3.33Å; L563-I567 PolarHBondContact O-N 2.76Å
564E93Very high92.6Very high120 Ų12094.2 Ų94.256%0.56151%0.505SS*.Hα-helixtrans-60.3-42.8174.6-74.4-172.4167.900111.2L560 D561 I567 G568L560-E564 HydrophobicContact CD2-CG 4.12Å; L560-E564 VanDerWaalsContact CD2-OE1 3.32Å; L560-E564 WeakPolarHBondContact CD2-OE1 3.33Å; L560-E564 WeakPolarHBondContact O-CG 3.25Å; L560-E564 PolarHBondContact O-N 2.76Å; D561-E564 PolarHBondContact O-N 2.93Å; E564-I567 PolarHBondContact O-N 3.44Å; E564-G568 PolarHBondContact O-N 3.22Å
565Q92.1Very high92.4Very high123 Ų12394.5 Ų94.558%0.57551%0.508SS*.Hα-helixtrans-60.7-46.7174.5-166.3179.63.300111.7D561 L563 I567 G568 D569D561-Q565 WeakPolarHBondContact O-CB 3.3Å; D561-Q565 PolarHBondContact O-N 3.23Å; L563-Q565 VanDerWaalsContact C-N 3.31Å; L563-Q565 PolarHBondContact O-N 3.28Å; Q565-I567 VanDerWaalsContact C-N 3.34Å; Q565-I567 PolarHBondContact O-N 3.27Å; Q565-G568 WeakPolarHBondContact O-CA 3.32Å; Q565-G568 PolarHBondContact O-N 3.45Å; Q565-G568 VanDerWaalsContact O-N 3.14Å; Q565-D569 PolarHBondContact O-N 3.42Å
566R94.1Very high92Very high178 Ų17893.2 Ų93.267%0.67251%0.507SS*.Hα-helixtrans-63.1-37.3177.2-74176.768.8-175.72113.2L562 L563 G568 A570L562-R566 WeakPolarHBondContact O-CG 3.44Å; L562-R566 PolarHBondContact O-N 3.39Å; L563-R566 PolarHBondContact O-N 3.3Å; R566-G568 VanDerWaalsContact C-N 3.34Å; R566-A570 VanDerWaalsContact O-CB 3.29Å; R566-A570 WeakPolarHBondContact O-CB 3.48Å; R566-A570 PolarHBondContact O-N 2.72Å
567I92.7Very high91.6Very high102 Ų10294 Ų9452%0.52351%0.508SS..Hα-helixtrans-66.6-40.6174.7-71.1167.3000109.8L563 E564 Q565 A570 N571L563-I567 VanDerWaalsContact O-CG1 3.29Å; L563-I567 WeakPolarHBondContact O-CG1 3.33Å; L563-I567 PolarHBondContact O-N 2.76Å; E564-I567 PolarHBondContact O-N 3.44Å; Q565-I567 VanDerWaalsContact C-N 3.34Å; Q565-I567 PolarHBondContact O-N 3.27Å; I567-A570 PolarHBondContact O-N 2.86Å; I567-N571 WeakPolarHBondContact CG2-ND2 3.48Å; I567-N571 VanDerWaalsContact O-CB 3.27Å; I567-N571 WeakPolarHBondContact O-CB 3.43Å; I567-N571 VanDerWaalsContact O-CG 3.25Å; I567-N571 PolarHBondContact O-N 2.78Å; I567-N571 PolarHBondContact O-ND2 3.43Å; I567-N571 VanDerWaalsContact O-ND2 3.15Å
568G92Very high91.1Very high38 Ų3894.6 Ų94.639%0.39251%0.512SS..Hα-helixtrans-56.3-51.717300000112.3E564 Q565 R566 N571 A572E564-G568 PolarHBondContact O-N 3.22Å; Q565-G568 WeakPolarHBondContact O-CA 3.32Å; Q565-G568 PolarHBondContact O-N 3.45Å; Q565-G568 VanDerWaalsContact O-N 3.14Å; R566-G568 VanDerWaalsContact C-N 3.34Å; G568-N571 PolarHBondContact O-N 3.41Å; G568-A572 PolarHBondContact O-N 2.94Å
569D92.3Very high90.5Very high94 Ų9495.5 Ų95.550%0.50352%0.516SS..Hα-helixtrans-62.1-47.4178.8-66.7-23.4000111.8Q565 N571 A572 E573Q565-D569 PolarHBondContact O-N 3.42Å; D569-N571 VanDerWaalsContact C-N 3.34Å; D569-N571 PolarHBondContact O-N 3.49Å; D569-A572 WeakPolarHBondContact O-CB 3.42Å; D569-A572 PolarHBondContact O-N 2.92Å; D569-A572 VanDerWaalsContact O-N 3.16Å; D569-E573 PolarHBondContact O-N 3.17Å
570A92.3Very high89.9Confident53 Ų5396.4 Ų96.444%0.43852%0.518SS..Hα-helixtrans-63.6-37.1178.800000112.6R566 I567 E573 L574R566-A570 VanDerWaalsContact O-CB 3.29Å; R566-A570 WeakPolarHBondContact O-CB 3.48Å; R566-A570 PolarHBondContact O-N 2.72Å; I567-A570 PolarHBondContact O-N 2.86Å; A570-E573 PolarHBondContact O-N 2.89Å; A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 PolarHBondContact O-N 3.49Å
571N91.3Very high89.2Confident94 Ų9495.4 Ų95.450%0.50351%0.513SS..Hα-helixtrans-68.1-36.6174.6-79-32.5000111.9I567 G568 D569 L574 S575I567-N571 WeakPolarHBondContact CG2-ND2 3.48Å; I567-N571 VanDerWaalsContact O-CB 3.27Å; I567-N571 WeakPolarHBondContact O-CB 3.43Å; I567-N571 VanDerWaalsContact O-CG 3.25Å; I567-N571 PolarHBondContact O-N 2.78Å; I567-N571 PolarHBondContact O-ND2 3.43Å; I567-N571 VanDerWaalsContact O-ND2 3.15Å; G568-N571 PolarHBondContact O-N 3.41Å; D569-N571 VanDerWaalsContact C-N 3.34Å; D569-N571 PolarHBondContact O-N 3.49Å; N571-L574 PolarHBondContact O-N 3.4Å; N571-S575 VanDerWaalsContact O-CB 3.3Å; N571-S575 WeakPolarHBondContact O-CB 3.48Å; N571-S575 PolarHBondContact O-N 3.2Å
572A90.3Very high88.5Confident63 Ų6395.1 Ų95.152%0.52151%0.514SS..Hα-helixtrans-64.5-43.9173.500000111.4G568 D569 S575 A576G568-A572 PolarHBondContact O-N 2.94Å; D569-A572 WeakPolarHBondContact O-CB 3.42Å; D569-A572 PolarHBondContact O-N 2.92Å; D569-A572 VanDerWaalsContact O-N 3.16Å; A572-S575 PolarHBondContact O-N 3.28Å; A572-A576 PolarHBondContact O-N 3.3Å
573E90.9Very high87.6Confident139 Ų13994.3 Ų94.365%0.6552%0.523SS*.Hα-helixtrans-62.8-43.4174.2-72.6-176.4175.800112.4D569 A570 A576 C577D569-E573 PolarHBondContact O-N 3.17Å; A570-E573 PolarHBondContact O-N 2.89Å; E573-A576 PolarHBondContact O-N 2.78Å; E573-C577 PolarHBondContact O-N 3.35Å; E573-C577 PolarHBondContact O-SG 3.02Å
574L89.1Confident86.7Confident105 Ų10591.7 Ų91.755%0.5552%0.515SS..Hα-helixtrans-62.5-46177-177.667.5000110.8A570 N571 A576 C577 V578A570-L574 VanDerWaalsContact O-CB 3.31Å; A570-L574 WeakPolarHBondContact O-CB 3.38Å; A570-L574 PolarHBondContact O-N 3.49Å; N571-L574 PolarHBondContact O-N 3.4Å; L574-A576 VanDerWaalsContact C-N 3.32Å; L574-A576 PolarHBondContact O-N 3.42Å; L574-C577 PolarHBondContact O-N 3.29Å; L574-C577 VanDerWaalsContact O-N 3.15Å; L574-V578 HydrophobicContact CD1-CG2 4.42Å; L574-V578 HydrophobicContact CG-CG2 4.37Å; L574-V578 WeakPolarHBondContact O-CB 3.43Å; L574-V578 VanDerWaalsContact O-CG2 3.3Å; L574-V578 WeakPolarHBondContact O-CG2 3.32Å; L574-V578 PolarHBondContact O-N 3.28Å
575S86.9Confident85.5Confident63 Ų6392.7 Ų92.744%0.44152%0.524SS..Hα-helixtrans-58.1-44.8176.1-177.50000111.4N571 A572 C577 V578 Q579N571-S575 VanDerWaalsContact O-CB 3.3Å; N571-S575 WeakPolarHBondContact O-CB 3.48Å; N571-S575 PolarHBondContact O-N 3.2Å; A572-S575 PolarHBondContact O-N 3.28Å; S575-C577 VanDerWaalsContact C-N 3.35Å; S575-C577 PolarHBondContact O-N 2.96Å; S575-V578 PolarHBondContact O-N 3.33Å; S575-Q579 WeakPolarHBondContact O-CG 3.44Å; S575-Q579 PolarHBondContact O-N 2.92Å
576A87.3Confident84.5Confident42 Ų4288.3 Ų88.335%0.34751%0.506SS..Hα-helixtrans-62.7-38.9175.300000112.6A572 E573 L574 K580A572-A576 PolarHBondContact O-N 3.3Å; E573-A576 PolarHBondContact O-N 2.78Å; L574-A576 VanDerWaalsContact C-N 3.32Å; L574-A576 PolarHBondContact O-N 3.42Å; A576-K580 WeakPolarHBondContact O-CG 3.49Å; A576-K580 PolarHBondContact O-N 2.81Å
577C83.9Confident83.3Confident66 Ų6685.1 Ų85.145%0.44651%0.511SS..Hα-helixtrans-68.1-42.9175-70.10000112.2E573 L574 S575 Q579 K580 L581E573-C577 PolarHBondContact O-N 3.35Å; E573-C577 PolarHBondContact O-SG 3.02Å; L574-C577 PolarHBondContact O-N 3.29Å; L574-C577 VanDerWaalsContact O-N 3.15Å; S575-C577 VanDerWaalsContact C-N 3.35Å; S575-C577 PolarHBondContact O-N 2.96Å; C577-Q579 VanDerWaalsContact C-N 3.35Å; C577-Q579 PolarHBondContact O-N 3.42Å; C577-K580 PolarHBondContact O-N 3.04Å; C577-L581 WeakPolarHBondContact O-CG 3.5Å; C577-L581 PolarHBondContact O-N 3.48Å
578V83.7Confident82.2Confident72 Ų7283 Ų8344%0.43651%0.505SS..Hα-helixtrans-61.5-44.5177169.70000110.3L574 S575 K580 L581 T582L574-V578 HydrophobicContact CD1-CG2 4.42Å; L574-V578 HydrophobicContact CG-CG2 4.37Å; L574-V578 WeakPolarHBondContact O-CB 3.43Å; L574-V578 VanDerWaalsContact O-CG2 3.3Å; L574-V578 WeakPolarHBondContact O-CG2 3.32Å; L574-V578 PolarHBondContact O-N 3.28Å; S575-V578 PolarHBondContact O-N 3.33Å; V578-K580 VanDerWaalsContact C-N 3.31Å; V578-K580 PolarHBondContact O-N 3.22Å; V578-L581 PolarHBondContact O-N 3.31Å; V578-L581 VanDerWaalsContact O-N 3.11Å; V578-T582 PolarHBondContact O-N 2.88Å; V578-T582 PolarHBondContact O-OG1 2.88Å
579Q81Confident80.8Confident131 Ų13191.9 Ų91.961%0.61253%0.527SS*.Hα-helixtrans-57.9-40.9174.8-76.1-178.4-0.400112.7S575 C577 T582 A583S575-Q579 WeakPolarHBondContact O-CG 3.44Å; S575-Q579 PolarHBondContact O-N 2.92Å; C577-Q579 VanDerWaalsContact C-N 3.35Å; C577-Q579 PolarHBondContact O-N 3.42Å; Q579-T582 WeakPolarHBondContact CA-OG1 3.4Å; Q579-T582 PolarHBondContact O-OG1 3.13Å; Q579-A583 WeakPolarHBondContact O-CB 3.31Å; Q579-A583 PolarHBondContact O-N 2.92Å
580K82.1Confident79.5Confident154 Ų15492.5 Ų92.567%0.6754%0.537SS*.Hα-helixtrans-65.4-38.6175.1-71.4172.7-177.6175.80112.1A576 C577 V578 A584A576-K580 WeakPolarHBondContact O-CG 3.49Å; A576-K580 PolarHBondContact O-N 2.81Å; C577-K580 PolarHBondContact O-N 3.04Å; V578-K580 VanDerWaalsContact C-N 3.31Å; V578-K580 PolarHBondContact O-N 3.22Å; K580-A584 PolarHBondContact O-N 3.43Å
581L77.5Confident78.3Confident72 Ų7290.7 Ų90.738%0.37752%0.522SS..Hα-helixtrans-70.4-40.7178.2-70.9170.4000112.5C577 V578 A584 N585 V586 Y592C577-L581 WeakPolarHBondContact O-CG 3.5Å; C577-L581 PolarHBondContact O-N 3.48Å; V578-L581 PolarHBondContact O-N 3.31Å; V578-L581 VanDerWaalsContact O-N 3.11Å; L581-A584 CarbonylContact O-C 3.46Å; L581-A584 PolarHBondContact O-N 2.83Å; L581-N585 PolarHBondContact O-N 3.43Å; L581-V586 HydrophobicContact CB-CB 4.48Å; L581-V586 HydrophobicContact CD2-CB 4.24Å; L581-V586 HydrophobicContact CD2-CG1 4.29Å; L581-V586 HydrophobicContact CD2-CG2 4.38Å; L581-V586 PolarHBondContact O-N 3.24Å; L581-Y592 HydrophobicContact CD2-CD2 4.06Å; L581-Y592 HydrophobicContact CD2-CE2 4.16Å
582T77.3Confident77.3Confident88 Ų8891.5 Ų91.554%0.5452%0.518SS..Hα-helixtrans-66.9-39.6174.1320000111.9V578 Q579 A584 N585V578-T582 PolarHBondContact O-N 2.88Å; V578-T582 PolarHBondContact O-OG1 2.88Å; Q579-T582 WeakPolarHBondContact CA-OG1 3.4Å; Q579-T582 PolarHBondContact O-OG1 3.13Å; T582-A584 PolarHBondContact O-N 3.46Å; T582-N585 PolarHBondContact O-N 2.83Å
583A76.9Confident76.6Confident89 Ų8992.2 Ų92.274%0.73652%0.516SS*.Hα-helixtrans-59.7-29.9172.900000112.9Q579 N585Q579-A583 WeakPolarHBondContact O-CB 3.31Å; Q579-A583 PolarHBondContact O-N 2.92Å; A583-N585 VanDerWaalsContact C-N 3.35Å
584A73.6Confident75.8Confident39 Ų3988.6 Ų88.632%0.32251%0.506SS..THydrogen-bonded Turntrans-88.78.4175.800000114.1K580 L581 T582 V586K580-A584 PolarHBondContact O-N 3.43Å; L581-A584 CarbonylContact O-C 3.46Å; L581-A584 PolarHBondContact O-N 2.83Å; T582-A584 PolarHBondContact O-N 3.46Å; A584-V586 HydrophobicContact CB-CG2 3.96Å; A584-V586 PolarHBondContact O-N 3.16Å
585N69.2Low75.1Confident141 Ų14186.3 Ų86.375%0.75449%0.492SS*.THydrogen-bonded Turntrans52.234.6-176-81.7-24.8000114.4L581 T582 A583 S587L581-N585 PolarHBondContact O-N 3.43Å; T582-N585 PolarHBondContact O-N 2.83Å; A583-N585 VanDerWaalsContact C-N 3.35Å; N585-S587 PolarHBondContact O-N 3.3Å
586V70.5Confident74.7Confident31 Ų3186.6 Ų86.619%0.18849%0.489CS..  trans-84.3107.1178.3179.40000110L581 A584 S591 Y592L581-V586 HydrophobicContact CB-CB 4.48Å; L581-V586 HydrophobicContact CD2-CB 4.24Å; L581-V586 HydrophobicContact CD2-CG1 4.29Å; L581-V586 HydrophobicContact CD2-CG2 4.38Å; L581-V586 PolarHBondContact O-N 3.24Å; A584-V586 HydrophobicContact CB-CG2 3.96Å; A584-V586 PolarHBondContact O-N 3.16Å; V586-S591 WeakPolarHBondContact CA-OG 3.45Å; V586-Y592 HydrophobicContact CG1-CD2 4.17Å; V586-Y592 HydrophobicContact CG1-CG 4.43Å; V586-Y592 HydrophobicContact CG2-CD2 4.33Å
587S67.4Low74.3Confident111 Ų11191.6 Ų91.678%0.77650%0.502SS*.  trans-103-14-177.458.50000114.2N585 S591N585-S587 PolarHBondContact O-N 3.3Å; S587-S591 PolarHBondContact N-OG 3.13Å; S587-S591 VanDerWaalsContact N-OG 3.09Å
588S69.6Low74.1Confident59 Ų5991.6 Ų91.641%0.41350%0.498SS..SBendtrans-153.7163.8176.371.50000112.1C590 S591 Y592S588-C590 PolarHBondContact O-N 3.4Å; S588-S591 CarbonylContact O-C 3.5Å; S588-S591 WeakPolarHBondContact O-CA 3.48Å; S588-S591 WeakPolarHBondContact O-CB 3.45Å; S588-S591 PolarHBondContact O-N 3.21Å; S588-S591 WeakPolarHBondContact OG-CB 3.4Å; S588-S591 PolarHBondContact OG-N 3.47Å; S588-Y592 PolarHBondContact O-N 3.44Å
589R62.6Low73.9Confident224 Ų22491.7 Ų91.785%0.84550%0.495SS*.Hα-helixtrans-58.2-34.4174.3-170.6173.1-178.7138.8-0.5112.4Y592 V593R589-Y592 PolarHBondContact O-N 2.97Å; R589-V593 PolarHBondContact O-N 2.96Å
590C66.4Low73.9Confident106 Ų10688.4 Ų88.472%0.71648%0.484SS*.Hα-helixtrans-69.6-39.4172.9-66.50000111.4S588 Y592 V593 S594S588-C590 PolarHBondContact O-N 3.4Å; C590-Y592 VanDerWaalsContact C-N 3.33Å; C590-Y592 PolarHBondContact O-N 3.33Å; C590-V593 PolarHBondContact O-N 3.08Å; C590-S594 PolarHBondContact O-N 2.85Å; C590-S594 VanDerWaalsContact O-N 3.12Å; C590-S594 PolarHBondContact O-OG 3.38Å
591S67Low73.8Confident16 Ų1683.8 Ų83.811%0.11247%0.471CS..Hα-helixtrans-63-36.3174.1133.30000112V586 S587 S588 S594 E595V586-S591 WeakPolarHBondContact CA-OG 3.45Å; S587-S591 PolarHBondContact N-OG 3.13Å; S587-S591 VanDerWaalsContact N-OG 3.09Å; S588-S591 CarbonylContact O-C 3.5Å; S588-S591 WeakPolarHBondContact O-CA 3.48Å; S588-S591 WeakPolarHBondContact O-CB 3.45Å; S588-S591 PolarHBondContact O-N 3.21Å; S588-S591 WeakPolarHBondContact OG-CB 3.4Å; S588-S591 PolarHBondContact OG-N 3.47Å; S591-S594 WeakPolarHBondContact CA-OG 3.25Å; S591-S594 PolarHBondContact O-N 3.25Å; S591-S594 PolarHBondContact O-OG 3.42Å; S591-E595 WeakPolarHBondContact O-CB 3.41Å; S591-E595 PolarHBondContact O-N 2.93Å
592Y69.6Low74.1Confident110 Ų11084.6 Ų84.643%0.43147%0.473SS..Hα-helixtrans-61.5-46.8176.1179.8-103000112.3L581 V586 S588 R589 C590 E595 I596L581-Y592 HydrophobicContact CD2-CD2 4.06Å; L581-Y592 HydrophobicContact CD2-CE2 4.16Å; V586-Y592 HydrophobicContact CG1-CD2 4.17Å; V586-Y592 HydrophobicContact CG1-CG 4.43Å; V586-Y592 HydrophobicContact CG2-CD2 4.33Å; S588-Y592 PolarHBondContact O-N 3.44Å; R589-Y592 PolarHBondContact O-N 2.97Å; C590-Y592 VanDerWaalsContact C-N 3.33Å; C590-Y592 PolarHBondContact O-N 3.33Å; Y592-E595 PolarHBondContact O-N 3.4Å; Y592-I596 HydrophobicContact CD1-CD1 4.34Å; Y592-I596 HydrophobicContact CD2-CD1 4.48Å; Y592-I596 HydrophobicContact CD2-CG1 4.42Å; Y592-I596 HydrophobicContact CE1-CD1 3.56Å; Y592-I596 HydrophobicContact CE1-CG1 4.24Å; Y592-I596 HydrophobicContact CE2-CD1 3.73Å; Y592-I596 HydrophobicContact CE2-CG1 4.07Å; Y592-I596 WeakPolarHBondContact O-CB 3.32Å; Y592-I596 WeakPolarHBondContact O-CG1 3.4Å; Y592-I596 PolarHBondContact O-N 3.29Å; Y592-I596 WeakPolarHBondContact OH-CD1 3.47Å
593V76.3Confident74.2Confident78 Ų7885.3 Ų85.347%0.47347%0.473SS..Hα-helixtrans-68.2-39.4-178.6178.70000110.9R589 C590 K597R589-V593 PolarHBondContact O-N 2.96Å; C590-V593 PolarHBondContact O-N 3.08Å; V593-K597 WeakPolarHBondContact O-CB 3.36Å; V593-K597 VanDerWaalsContact O-CG 3.31Å; V593-K597 WeakPolarHBondContact O-CG 3.48Å; V593-K597 PolarHBondContact O-N 3.37Å
594S74.9Confident74.5Confident63 Ų6386.7 Ų86.744%0.44146%0.464SS..Hα-helixtrans-68-40.8175.256.10000112C590 S591 K597 N598C590-S594 PolarHBondContact O-N 2.85Å; C590-S594 VanDerWaalsContact O-N 3.12Å; C590-S594 PolarHBondContact O-OG 3.38Å; S591-S594 WeakPolarHBondContact CA-OG 3.25Å; S591-S594 PolarHBondContact O-N 3.25Å; S591-S594 PolarHBondContact O-OG 3.42Å; S594-K597 PolarHBondContact O-N 3.02Å; S594-N598 WeakPolarHBondContact O-CB 3.3Å; S594-N598 PolarHBondContact O-N 3.46Å
595E74.2Confident75Confident57 Ų5790.5 Ų90.527%0.26648%0.477SS..Hα-helixtrans-73.9-37.3-178.3-148.261.4-129.700111.7S591 Y592 K597 N598 I599S591-E595 WeakPolarHBondContact O-CB 3.41Å; S591-E595 PolarHBondContact O-N 2.93Å; Y592-E595 PolarHBondContact O-N 3.4Å; E595-K597 VanDerWaalsContact C-N 3.34Å; E595-N598 WeakPolarHBondContact O-CB 3.37Å; E595-N598 PolarHBondContact O-N 3.48Å; E595-N598 PolarHBondContact OE1-ND2 2.91Å; E595-I599 HydrophobicContact CG-CD1 4.29Å; E595-I599 WeakPolarHBondContact O-CB 3.39Å; E595-I599 VanDerWaalsContact O-CG1 3.29Å; E595-I599 WeakPolarHBondContact O-CG1 3.42Å; E595-I599 PolarHBondContact O-N 2.99Å
596I77.1Confident75.7Confident70 Ų7088.7 Ų88.736%0.35947%0.467SS..Hα-helixtrans-60.1-46.8168.2-78.6-157.4000110.1Y592 N598 I599 T600Y592-I596 HydrophobicContact CD1-CD1 4.34Å; Y592-I596 HydrophobicContact CD2-CD1 4.48Å; Y592-I596 HydrophobicContact CD2-CG1 4.42Å; Y592-I596 HydrophobicContact CE1-CD1 3.56Å; Y592-I596 HydrophobicContact CE1-CG1 4.24Å; Y592-I596 HydrophobicContact CE2-CD1 3.73Å; Y592-I596 HydrophobicContact CE2-CG1 4.07Å; Y592-I596 WeakPolarHBondContact O-CB 3.32Å; Y592-I596 WeakPolarHBondContact O-CG1 3.4Å; Y592-I596 PolarHBondContact O-N 3.29Å; Y592-I596 WeakPolarHBondContact OH-CD1 3.47Å; I596-N598 VanDerWaalsContact C-N 3.26Å; I596-N598 PolarHBondContact O-N 2.97Å; I596-I599 PolarHBondContact O-N 3.39Å; I596-T600 WeakPolarHBondContact O-CB 3.49Å; I596-T600 PolarHBondContact O-N 2.94Å; I596-T600 PolarHBondContact O-OG1 3.35Å
597K78.9Confident76.2Confident147 Ų14793.7 Ų93.764%0.63949%0.488SS*.Hα-helixtrans-60.8-37.7176.4-78.3-179.9178.1-174.90112V593 S594 E595 S601V593-K597 WeakPolarHBondContact O-CB 3.36Å; V593-K597 VanDerWaalsContact O-CG 3.31Å; V593-K597 WeakPolarHBondContact O-CG 3.48Å; V593-K597 PolarHBondContact O-N 3.37Å; S594-K597 PolarHBondContact O-N 3.02Å; E595-K597 VanDerWaalsContact C-N 3.34Å; K597-S601 WeakPolarHBondContact O-CB 3.27Å; K597-S601 PolarHBondContact O-N 2.96Å
598N80.7Confident77Confident65 Ų6593.5 Ų93.535%0.34848%0.482SS..Hα-helixtrans-66.6-50.9177.4-171.323.9000111.4S594 E595 I596 T600 S601 Q602S594-N598 WeakPolarHBondContact O-CB 3.3Å; S594-N598 PolarHBondContact O-N 3.46Å; E595-N598 WeakPolarHBondContact O-CB 3.37Å; E595-N598 PolarHBondContact O-N 3.48Å; E595-N598 PolarHBondContact OE1-ND2 2.91Å; I596-N598 VanDerWaalsContact C-N 3.26Å; I596-N598 PolarHBondContact O-N 2.97Å; N598-T600 PolarHBondContact O-N 2.9Å; N598-S601 PolarHBondContact O-N 3.24Å; N598-Q602 PolarHBondContact ND2-NE2 2.94Å; N598-Q602 WeakPolarHBondContact O-CB 3.4Å; N598-Q602 VanDerWaalsContact O-CG 3.29Å; N598-Q602 WeakPolarHBondContact O-CG 3.46Å; N598-Q602 PolarHBondContact O-N 2.94Å; N598-Q602 PolarHBondContact OD1-NE2 2.94Å; N598-Q602 VanDerWaalsContact OD1-NE2 3.08Å
599I79.4Confident77.7Confident75 Ų7596.2 Ų96.239%0.38549%0.488SS..Hα-helixtrans-64-41.7177.7-66.4171.4000110.8E595 I596 Q602 L603E595-I599 HydrophobicContact CG-CD1 4.29Å; E595-I599 WeakPolarHBondContact O-CB 3.39Å; E595-I599 VanDerWaalsContact O-CG1 3.29Å; E595-I599 WeakPolarHBondContact O-CG1 3.42Å; E595-I599 PolarHBondContact O-N 2.99Å; I596-I599 PolarHBondContact O-N 3.39Å; I599-Q602 PolarHBondContact O-N 3.31Å; I599-L603 HydrophobicContact CG2-CD1 4.21Å; I599-L603 VanDerWaalsContact O-CB 3.32Å; I599-L603 WeakPolarHBondContact O-CB 3.32Å; I599-L603 PolarHBondContact O-N 3.29Å
600T80.8Confident78.5Confident61 Ų6192 Ų9237%0.37448%0.476SS..Hα-helixtrans-64.5-42.3175.7-56.80000110.9I596 N598 L603 E604I596-T600 WeakPolarHBondContact O-CB 3.49Å; I596-T600 PolarHBondContact O-N 2.94Å; I596-T600 PolarHBondContact O-OG1 3.35Å; N598-T600 PolarHBondContact O-N 2.9Å; T600-L603 WeakPolarHBondContact O-CB 3.24Å; T600-L603 PolarHBondContact O-N 3.34Å; T600-E604 WeakPolarHBondContact O-CB 3.27Å; T600-E604 WeakPolarHBondContact O-CG 3.35Å; T600-E604 PolarHBondContact O-N 3.14Å
601S80.6Confident79.3Confident57 Ų5788.9 Ų88.940%0.39946%0.462SS..Hα-helixtrans-63.7-42.6174.3-179.60000111.8K597 N598 E604 M605K597-S601 WeakPolarHBondContact O-CB 3.27Å; K597-S601 PolarHBondContact O-N 2.96Å; N598-S601 PolarHBondContact O-N 3.24Å; S601-E604 PolarHBondContact O-N 3.43Å; S601-M605 WeakPolarHBondContact O-CB 3.22Å; S601-M605 VanDerWaalsContact O-CG 3.3Å; S601-M605 WeakPolarHBondContact O-CG 3.38Å; S601-M605 PolarHBondContact O-N 2.97Å
602Q82.3Confident80Confident89 Ų8991.1 Ų91.142%0.41648%0.477SS..Hα-helixtrans-64.1-41174.4-74.3176.423.300111.7N598 I599 M605 L606N598-Q602 PolarHBondContact ND2-NE2 2.94Å; N598-Q602 WeakPolarHBondContact O-CB 3.4Å; N598-Q602 VanDerWaalsContact O-CG 3.29Å; N598-Q602 WeakPolarHBondContact O-CG 3.46Å; N598-Q602 PolarHBondContact O-N 2.94Å; N598-Q602 PolarHBondContact OD1-NE2 2.94Å; N598-Q602 VanDerWaalsContact OD1-NE2 3.08Å; I599-Q602 PolarHBondContact O-N 3.31Å; Q602-M605 PolarHBondContact O-N 3.35Å; Q602-L606 VanDerWaalsContact O-CB 3.27Å; Q602-L606 WeakPolarHBondContact O-CB 3.48Å; Q602-L606 VanDerWaalsContact O-CG 3.25Å; Q602-L606 WeakPolarHBondContact O-CG 3.48Å; Q602-L606 PolarHBondContact O-N 3.03Å
603L79.4Confident80.6Confident103 Ų10390.3 Ų90.354%0.53948%0.484SS..Hα-helixtrans-61.2-46.8172.8-94.7165.9000110.8I599 T600 L606 Q607I599-L603 HydrophobicContact CG2-CD1 4.21Å; I599-L603 VanDerWaalsContact O-CB 3.32Å; I599-L603 WeakPolarHBondContact O-CB 3.32Å; I599-L603 PolarHBondContact O-N 3.29Å; T600-L603 WeakPolarHBondContact O-CB 3.24Å; T600-L603 PolarHBondContact O-N 3.34Å; L603-L606 PolarHBondContact O-N 2.98Å; L603-Q607 WeakPolarHBondContact O-CB 3.44Å; L603-Q607 PolarHBondContact O-N 3.41Å
604E83.9Confident80.8Confident119 Ų11989.9 Ų89.956%0.55648%0.479SS*.Hα-helixtrans-61.4-44.1176.4-77.3175.8178.300111.3T600 S601 Q607 V608T600-E604 WeakPolarHBondContact O-CB 3.27Å; T600-E604 WeakPolarHBondContact O-CG 3.35Å; T600-E604 PolarHBondContact O-N 3.14Å; S601-E604 PolarHBondContact O-N 3.43Å; E604-Q607 PolarHBondContact O-N 2.93Å; E604-V608 WeakPolarHBondContact O-CB 3.39Å; E604-V608 VanDerWaalsContact O-CG2 3.27Å; E604-V608 WeakPolarHBondContact O-CG2 3.36Å; E604-V608 PolarHBondContact O-N 3.3Å
605M83.3Confident81.1Confident118 Ų11888.9 Ų88.958%0.58148%0.478SS*.Hα-helixtrans-63-47.3175.4-69.6-147.7-39.800111.9S601 Q602 Q607 V608 E609S601-M605 WeakPolarHBondContact O-CB 3.22Å; S601-M605 VanDerWaalsContact O-CG 3.3Å; S601-M605 WeakPolarHBondContact O-CG 3.38Å; S601-M605 PolarHBondContact O-N 2.97Å; Q602-M605 PolarHBondContact O-N 3.35Å; M605-Q607 PolarHBondContact O-N 3.2Å; M605-V608 PolarHBondContact O-N 2.84Å; M605-E609 WeakPolarHBondContact O-CB 3.35Å; M605-E609 PolarHBondContact O-N 3.24Å
606L84.3Confident81.6Confident104 Ų10489 Ų8955%0.54548%0.482SS..Hα-helixtrans-64.2-31.3176.6-75.6169.4000111.6Q602 L603 K610Q602-L606 VanDerWaalsContact O-CB 3.27Å; Q602-L606 WeakPolarHBondContact O-CB 3.48Å; Q602-L606 VanDerWaalsContact O-CG 3.25Å; Q602-L606 WeakPolarHBondContact O-CG 3.48Å; Q602-L606 PolarHBondContact O-N 3.03Å; L603-L606 PolarHBondContact O-N 2.98Å; L606-K610 WeakPolarHBondContact O-CB 3.23Å; L606-K610 PolarHBondContact O-N 3.02Å
607Q82.5Confident81.8Confident135 Ų13591.8 Ų91.863%0.63149%0.49SS*.Hα-helixtrans-75.9-34.2177.3-164.1168.65.100111.3L603 E604 M605 G611L603-Q607 WeakPolarHBondContact O-CB 3.44Å; L603-Q607 PolarHBondContact O-N 3.41Å; E604-Q607 PolarHBondContact O-N 2.93Å; M605-Q607 PolarHBondContact O-N 3.2Å; Q607-G611 PolarHBondContact O-N 2.81Å
608V84Confident82Confident108 Ų10891 Ų9166%0.65549%0.486SS*.Hα-helixtrans-69.6-42.5169.8170.60000111.2E604 M605 G611 S612E604-V608 WeakPolarHBondContact O-CB 3.39Å; E604-V608 VanDerWaalsContact O-CG2 3.27Å; E604-V608 WeakPolarHBondContact O-CG2 3.36Å; E604-V608 PolarHBondContact O-N 3.3Å; M605-V608 PolarHBondContact O-N 2.84Å; V608-G611 CarbonylContact O-C 3.25Å; V608-G611 PolarHBondContact O-N 3.01Å; V608-S612 WeakPolarHBondContact O-CB 3.33Å; V608-S612 PolarHBondContact O-N 3.12Å
609E82.8Confident82.1Confident116 Ų11691.7 Ų91.754%0.54249%0.489SS..Hα-helixtrans-64-46.1173.4-81.3-172.8160.300111.4M605 G611 S612 V613M605-E609 WeakPolarHBondContact O-CB 3.35Å; M605-E609 PolarHBondContact O-N 3.24Å; E609-G611 VanDerWaalsContact C-N 3.28Å; E609-G611 PolarHBondContact O-N 3.43Å; E609-S612 PolarHBondContact O-N 2.86Å; E609-S612 VanDerWaalsContact O-N 3.16Å; E609-S612 PolarHBondContact O-OG 2.9Å; E609-V613 WeakPolarHBondContact O-CB 2.82Å; E609-V613 VanDerWaalsContact O-CG2 3.3Å; E609-V613 WeakPolarHBondContact O-CG2 3.31Å; E609-V613 PolarHBondContact O-N 3.43Å
610K80.8Confident82.3Confident136 Ų13691.4 Ų91.459%0.59148%0.484SS*.Hα-helixtrans-57.3-45.8172.4-179.6-178.4175-177.20110.5L606 S612 V613 D614L606-K610 WeakPolarHBondContact O-CB 3.23Å; L606-K610 PolarHBondContact O-N 3.02Å; K610-S612 VanDerWaalsContact C-N 3.33Å; K610-S612 PolarHBondContact O-N 3.02Å; K610-V613 PolarHBondContact O-N 3.37Å; K610-D614 VanDerWaalsContact O-CB 3.23Å; K610-D614 WeakPolarHBondContact O-CB 3.29Å; K610-D614 VanDerWaalsContact O-CG 3.27Å; K610-D614 PolarHBondContact O-N 3.02Å
611G82.4Confident82.4Confident40 Ų4093.9 Ų93.941%0.41249%0.49SS..Hα-helixtrans-62-36.8176.600000113.4Q607 V608 E609 G615Q607-G611 PolarHBondContact O-N 2.81Å; V608-G611 CarbonylContact O-C 3.25Å; V608-G611 PolarHBondContact O-N 3.01Å; E609-G611 VanDerWaalsContact C-N 3.28Å; E609-G611 PolarHBondContact O-N 3.43Å; G611-G615 PolarHBondContact O-N 2.96Å
612S82.4Confident82.6Confident63 Ų6398.3 Ų98.344%0.44150%0.502SS..Hα-helixtrans-72.6-41.5177.679.20000111.6V608 E609 K610 G615 T616V608-S612 WeakPolarHBondContact O-CB 3.33Å; V608-S612 PolarHBondContact O-N 3.12Å; E609-S612 PolarHBondContact O-N 2.86Å; E609-S612 VanDerWaalsContact O-N 3.16Å; E609-S612 PolarHBondContact O-OG 2.9Å; K610-S612 VanDerWaalsContact C-N 3.33Å; K610-S612 PolarHBondContact O-N 3.02Å; S612-G615 PolarHBondContact O-N 2.89Å; S612-T616 WeakPolarHBondContact O-CB 3.29Å; S612-T616 PolarHBondContact O-N 2.85Å; S612-T616 PolarHBondContact O-OG1 2.99Å
613V81.4Confident82.7Confident93 Ų9397 Ų9756%0.56449%0.493SS*.Hα-helixtrans-64.4-48.1174.1174.10000110.4E609 K610 G615 T616 Y617E609-V613 WeakPolarHBondContact O-CB 2.82Å; E609-V613 VanDerWaalsContact O-CG2 3.3Å; E609-V613 WeakPolarHBondContact O-CG2 3.31Å; E609-V613 PolarHBondContact O-N 3.43Å; K610-V613 PolarHBondContact O-N 3.37Å; V613-G615 VanDerWaalsContact C-N 3.33Å; V613-G615 PolarHBondContact O-N 2.99Å; V613-T616 PolarHBondContact O-N 2.95Å; V613-Y617 WeakPolarHBondContact O-CB 3.48Å; V613-Y617 PolarHBondContact O-N 3.44Å
614D80.6Confident82.8Confident69 Ų6993.6 Ų93.637%0.36948%0.476SS..Hα-helixtrans-58.2-46.6175.7-78.2-21.3000110.1K610 T616 Y617 F618K610-D614 VanDerWaalsContact O-CB 3.23Å; K610-D614 WeakPolarHBondContact O-CB 3.29Å; K610-D614 VanDerWaalsContact O-CG 3.27Å; K610-D614 PolarHBondContact O-N 3.02Å; D614-T616 PolarHBondContact O-N 3.37Å; D614-Y617 WeakPolarHBondContact O-CB 3.41Å; D614-Y617 PolarHBondContact O-N 3.34Å; D614-F618 WeakPolarHBondContact O-CD2 3.41Å; D614-F618 PolarHBondContact O-N 2.7Å
615G81.9Confident82.7Confident41 Ų4190.6 Ų90.642%0.42347%0.467SS..Hα-helixtrans-60.2-42.5176.700000113.4G611 S612 V613 F618 L619G611-G615 PolarHBondContact O-N 2.96Å; S612-G615 PolarHBondContact O-N 2.89Å; V613-G615 VanDerWaalsContact C-N 3.33Å; V613-G615 PolarHBondContact O-N 2.99Å; G615-F618 PolarHBondContact O-N 3Å; G615-L619 WeakPolarHBondContact O-CB 3.41Å; G615-L619 PolarHBondContact O-N 2.78Å
616T83.4Confident82.7Confident59 Ų5988.9 Ų88.936%0.36246%0.458SS..Hα-helixtrans-68.4-41.7178.1-47.40000111.1S612 V613 D614 F618 L619 Y620S612-T616 WeakPolarHBondContact O-CB 3.29Å; S612-T616 PolarHBondContact O-N 2.85Å; S612-T616 PolarHBondContact O-OG1 2.99Å; V613-T616 PolarHBondContact O-N 2.95Å; D614-T616 PolarHBondContact O-N 3.37Å; T616-F618 PolarHBondContact O-N 3.49Å; T616-L619 WeakPolarHBondContact O-CB 3.48Å; T616-L619 PolarHBondContact O-N 3.15Å; T616-Y620 HydrophobicContact CG2-CD2 3.88Å; T616-Y620 HydrophobicContact CG2-CE2 3.39Å; T616-Y620 WeakPolarHBondContact O-CD2 3.29Å; T616-Y620 PolarHBondContact O-N 2.84Å
617Y81.8Confident82.7Confident130 Ų13084.2 Ų84.251%0.5143%0.434SS..Hα-helixtrans-58-47.6173.1171.4-97.9000111.4V613 D614 L619 Y620 K621V613-Y617 WeakPolarHBondContact O-CB 3.48Å; V613-Y617 PolarHBondContact O-N 3.44Å; D614-Y617 WeakPolarHBondContact O-CB 3.41Å; D614-Y617 PolarHBondContact O-N 3.34Å; Y617-L619 VanDerWaalsContact C-N 3.34Å; Y617-L619 PolarHBondContact O-N 3.48Å; Y617-Y620 PolarHBondContact O-N 2.88Å; Y617-K621 HydrophobicContact CE1-CD 4.14Å; Y617-K621 VanDerWaalsContact O-CB 3.27Å; Y617-K621 WeakPolarHBondContact O-CB 3.4Å; Y617-K621 PolarHBondContact O-N 3.33Å
618F82.6Confident82.5Confident130 Ų13084.5 Ų84.557%0.5744%0.435SS*.Hα-helixtrans-62.9-39176-79.7-66.3000112.4D614 G615 T616 K622D614-F618 WeakPolarHBondContact O-CD2 3.41Å; D614-F618 PolarHBondContact O-N 2.7Å; G615-F618 PolarHBondContact O-N 3Å; T616-F618 PolarHBondContact O-N 3.49Å; F618-K622 WeakPolarHBondContact O-CB 3.27Å; F618-K622 PolarHBondContact O-N 3.34Å
619L83.5Confident82.3Confident79 Ų7985 Ų8541%0.41444%0.438SS..Hα-helixtrans-63.6-49.1177.4-172.472.5000111.7G615 T616 Y617 K621 K622 Y623G615-L619 WeakPolarHBondContact O-CB 3.41Å; G615-L619 PolarHBondContact O-N 2.78Å; T616-L619 WeakPolarHBondContact O-CB 3.48Å; T616-L619 PolarHBondContact O-N 3.15Å; Y617-L619 VanDerWaalsContact C-N 3.34Å; Y617-L619 PolarHBondContact O-N 3.48Å; L619-K621 PolarHBondContact O-N 3.35Å; L619-K622 WeakPolarHBondContact O-CB 3.34Å; L619-K622 PolarHBondContact O-N 2.85Å; L619-K622 VanDerWaalsContact O-N 3.15Å; L619-Y623 HydrophobicContact CD1-CE1 3.91Å; L619-Y623 HydrophobicContact CD2-CE2 4.25Å; L619-Y623 HydrophobicContact CG-CE1 4.15Å; L619-Y623 HydrophobicContact CG-CE2 4.15Å; L619-Y623 PolarHBondContact O-N 2.82Å
620Y84.6Confident82.1Confident69 Ų6981.6 Ų81.627%0.27143%0.425SS..Hα-helixtrans-64.9-39.4178.1-71.9-37.7000112.5T616 Y617 K622 Y623 I624 V653 I656T616-Y620 HydrophobicContact CG2-CD2 3.88Å; T616-Y620 HydrophobicContact CG2-CE2 3.39Å; T616-Y620 WeakPolarHBondContact O-CD2 3.29Å; T616-Y620 PolarHBondContact O-N 2.84Å; Y617-Y620 PolarHBondContact O-N 2.88Å; Y620-K622 VanDerWaalsContact C-N 3.26Å; Y620-K622 PolarHBondContact O-N 3.5Å; Y620-Y623 HydrophobicContact CD1-CD2 4.19Å; Y620-Y623 PolarHBondContact O-N 3.31Å; Y620-Y623 VanDerWaalsContact O-N 3.15Å; Y620-I624 WeakPolarHBondContact O-CG1 3.32Å; Y620-I624 PolarHBondContact O-N 3.38Å; Y620-V653 HydrophobicContact CD1-CG1 3.66Å; Y620-V653 HydrophobicContact CG-CG1 3.8Å; Y620-I656 HydrophobicContact CD2-CG2 4.19Å; Y620-I656 HydrophobicContact CE2-CB 4.2Å; Y620-I656 HydrophobicContact CE2-CG2 3.5Å; Y620-I656 VanDerWaalsContact CE2-CG2 3.5Å
621K82.8Confident82.1Confident114 Ų11478.7 Ų78.750%0.49642%0.42SS..Hα-helixtrans-59.1-38.8172.5-167.3174.1-174.9171.40111.9Y617 L619 S625Y617-K621 HydrophobicContact CE1-CD 4.14Å; Y617-K621 VanDerWaalsContact O-CB 3.27Å; Y617-K621 WeakPolarHBondContact O-CB 3.4Å; Y617-K621 PolarHBondContact O-N 3.33Å; L619-K621 PolarHBondContact O-N 3.35Å; K621-S625 PolarHBondContact O-N 2.91Å; K621-S625 VanDerWaalsContact O-N 3.13Å
622K84.1Confident81.9Confident149 Ų14981.3 Ų81.365%0.64842%0.418SS*.Hα-helixtrans-71.5-35.2175-167176.9-178.7-1800112.8F618 L619 Y620 S625 H626F618-K622 WeakPolarHBondContact O-CB 3.27Å; F618-K622 PolarHBondContact O-N 3.34Å; L619-K622 WeakPolarHBondContact O-CB 3.34Å; L619-K622 PolarHBondContact O-N 2.85Å; L619-K622 VanDerWaalsContact O-N 3.15Å; Y620-K622 VanDerWaalsContact C-N 3.26Å; Y620-K622 PolarHBondContact O-N 3.5Å; K622-S625 WeakPolarHBondContact CA-OG 3.35Å; K622-S625 PolarHBondContact O-N 3.32Å; K622-S625 PolarHBondContact O-OG 2.84Å; K622-H626 WeakPolarHBondContact O-CB 3.48Å; K622-H626 PolarHBondContact O-N 3.49Å
623Y84.4Confident81.8Confident62 Ų6279.1 Ų79.124%0.24340%0.402CS..Hα-helixtrans-66-41.5173.6-73.4-3.8000111.9L619 Y620 H626 V627 P634L619-Y623 HydrophobicContact CD1-CE1 3.91Å; L619-Y623 HydrophobicContact CD2-CE2 4.25Å; L619-Y623 HydrophobicContact CG-CE1 4.15Å; L619-Y623 HydrophobicContact CG-CE2 4.15Å; L619-Y623 PolarHBondContact O-N 2.82Å; Y620-Y623 HydrophobicContact CD1-CD2 4.19Å; Y620-Y623 PolarHBondContact O-N 3.31Å; Y620-Y623 VanDerWaalsContact O-N 3.15Å; Y623-H626 PolarHBondContact O-N 2.85Å; Y623-V627 VanDerWaalsContact O-CG2 3.32Å; Y623-V627 WeakPolarHBondContact O-CG2 3.42Å; Y623-V627 PolarHBondContact O-N 2.93Å; Y623-P634 HydrophobicContact CD1-CB 3.61Å; Y623-P634 HydrophobicContact CD1-CG 3.54Å; Y623-P634 HydrophobicContact CD2-CG 4.34Å; Y623-P634 HydrophobicContact CE1-CB 3.9Å; Y623-P634 HydrophobicContact CE1-CG 4.2Å; Y623-P634 HydrophobicContact CG-CB 4.21Å; Y623-P634 HydrophobicContact CG-CG 3.61Å
624I82.5Confident81.7Confident32 Ų3276.2 Ų76.216%0.16439%0.385CS..Hα-helixtrans-61.1-46.8175.1-68.2164.1000110.4Y620 H626 V627 Q628 I650 V653 S654Y620-I624 WeakPolarHBondContact O-CG1 3.32Å; Y620-I624 PolarHBondContact O-N 3.38Å; I624-H626 PolarHBondContact O-N 3.26Å; I624-V627 PolarHBondContact O-N 3.48Å; I624-Q628 WeakPolarHBondContact O-CG 3.29Å; I624-Q628 PolarHBondContact O-N 3.35Å; I624-Q628 VanDerWaalsContact O-N 3.15Å; I624-I650 HydrophobicContact CG1-CG2 4.48Å; I624-I650 HydrophobicContact CG2-CG1 4.47Å; I624-I650 HydrophobicContact CG2-CG2 4.01Å; I624-V653 HydrophobicContact CD1-CB 4.49Å; I624-V653 HydrophobicContact CD1-CG1 3.95Å; I624-V653 HydrophobicContact CG1-CB 4.24Å; I624-V653 HydrophobicContact CG1-CG1 3.82Å; I624-S654 WeakPolarHBondContact CD1-OG 3.38Å
625S81.7Confident81.6Confident55 Ų5576.5 Ų76.539%0.38540%0.397SS..Hα-helixtrans-65.9-37.4178.766.80000112.9K621 K622 Q628 V629K621-S625 PolarHBondContact O-N 2.91Å; K621-S625 VanDerWaalsContact O-N 3.13Å; K622-S625 WeakPolarHBondContact CA-OG 3.35Å; K622-S625 PolarHBondContact O-N 3.32Å; K622-S625 PolarHBondContact O-OG 2.84Å; S625-Q628 PolarHBondContact O-N 2.87Å; S625-V629 PolarHBondContact O-N 2.88Å
626H83.2Confident81.8Confident83 Ų8378.5 Ų78.538%0.38440%0.404SS..Hα-helixtrans-66.7-39.8178.2-16162000112.6K622 Y623 I624 Q628 V629 T630 P634K622-H626 WeakPolarHBondContact O-CB 3.48Å; K622-H626 PolarHBondContact O-N 3.49Å; Y623-H626 PolarHBondContact O-N 2.85Å; I624-H626 PolarHBondContact O-N 3.26Å; H626-Q628 VanDerWaalsContact C-N 3.32Å; H626-Q628 PolarHBondContact O-N 3.32Å; H626-V629 PolarHBondContact O-N 3.17Å; H626-T630 PolarHBondContact O-N 3.14Å; H626-T630 VanDerWaalsContact O-O 3.06Å; H626-T630 PolarHBondContact O-OG1 3.01Å; H626-T630 VanDerWaalsContact O-OG1 3.09Å; H626-P634 HydrophobicContact CB-CB 4.32Å; H626-P634 HydrophobicContact CB-CG 4.47Å
627V82.6Confident81.4Confident6 Ų681.1 Ų81.14%0.03642%0.416CS..Hα-helixtrans-68.7-29.5176.9175.10000112.3Y623 I624 T630 P634 F640 A646 F649 I650Y623-V627 VanDerWaalsContact O-CG2 3.32Å; Y623-V627 WeakPolarHBondContact O-CG2 3.42Å; Y623-V627 PolarHBondContact O-N 2.93Å; I624-V627 PolarHBondContact O-N 3.48Å; V627-T630 WeakPolarHBondContact CA-O 3.38Å; V627-P634 HydrophobicContact CG2-CG 4.11Å; V627-F640 HydrophobicContact CG1-CD2 4.3Å; V627-F640 HydrophobicContact CG1-CE2 3.85Å; V627-F640 HydrophobicContact CG2-CE2 4.06Å; V627-A646 HydrophobicContact CG1-CB 3.91Å; V627-F649 HydrophobicContact CB-CD1 4.42Å; V627-F649 HydrophobicContact CG1-CD1 4.33Å; V627-F649 HydrophobicContact CG2-CD1 3.74Å; V627-F649 HydrophobicContact CG2-CE1 3.65Å; V627-I650 HydrophobicContact CB-CD1 4.5Å; V627-I650 HydrophobicContact CB-CG1 4.4Å; V627-I650 HydrophobicContact CG1-CD1 4.04Å; V627-I650 HydrophobicContact CG1-CG1 4.05Å
628Q78.9Confident81.3Confident140 Ų14082.7 Ų82.765%0.65442%0.42SS*.Hα-helixtrans-68.2-34.1174-75.2175.6-10.600113I624 S625 H626 I650I624-Q628 WeakPolarHBondContact O-CG 3.29Å; I624-Q628 PolarHBondContact O-N 3.35Å; I624-Q628 VanDerWaalsContact O-N 3.15Å; S625-Q628 PolarHBondContact O-N 2.87Å; H626-Q628 VanDerWaalsContact C-N 3.32Å; H626-Q628 PolarHBondContact O-N 3.32Å; Q628-I650 HydrophobicContact CG-CD1 3.98Å
629V81Confident81.1Confident120 Ų12083.5 Ų83.573%0.72742%0.42SS*.Hα-helixtrans-87-41.8-179.2178.80000111.7S625 H626S625-V629 PolarHBondContact O-N 2.88Å; H626-V629 PolarHBondContact O-N 3.17Å
630T78.5Confident80.9Confident43 Ų4381.5 Ų81.526%0.26441%0.408SS..SBendtrans-131118.3-179.527.90000108.7H626 V627 R632H626-T630 PolarHBondContact O-N 3.14Å; H626-T630 VanDerWaalsContact O-O 3.06Å; H626-T630 PolarHBondContact O-OG1 3.01Å; H626-T630 VanDerWaalsContact O-OG1 3.09Å; V627-T630 WeakPolarHBondContact CA-O 3.38Å; T630-R632 PolarHBondContact O-N 2.89Å
631P79Confident80.6Confident75 Ų7584.7 Ų84.749%0.48743%0.429SS..SBendtrans-75.867.5-178.131.7-34.9000110.6F640P631-F640 VanDerWaalsContact C-CD2 3.42Å; P631-F640 HydrophobicContact CB-CB 4.47Å; P631-F640 HydrophobicContact CB-CD2 4.45Å; P631-F640 PolarHBondContact O-N 3.35Å
632R78.6Confident80.3Confident96 Ų9686.1 Ų86.136%0.36244%0.436SS..BIsolated β-bridgetrans-138.7147.5178-44.1-170.8-174.7173.56.4108.9T630 P634 R638 R639 F640T630-R632 PolarHBondContact O-N 2.89Å; R632-P634 WeakPolarHBondContact O-CD 3.41Å; R632-R638 CarbonylContact C-O 3.52Å; R632-R638 VanDerWaalsContact CA-O 3.28Å; R632-R638 WeakPolarHBondContact CA-O 3.25Å; R632-R639 HydrophobicContact CG-CG 4.09Å; R632-F640 VanDerWaalsContact C-CE2 3.45Å
633C80Confident79.5Confident17 Ų1785.7 Ų85.712%0.11545%0.448CS..  trans-68121.5174.4-179.50000110.3A635 C636 D637 R638 F640C633-A635 PolarHBondContact O-N 3.28Å; C633-A635 VanDerWaalsContact O-N 3.09Å; C633-C636 PolarHBondContact O-N 3.31Å; C633-D637 WeakPolarHBondContact O-CA 3.36Å; C633-D637 PolarHBondContact O-N 3.2Å; C633-R638 HydrophobicContact CB-CB 4.49Å; C633-R638 PolarHBondContact N-O 2.81Å; C633-F640 HydrophobicContact CB-CZ 4.04Å
634P80Confident79.2Confident31 Ų3184.4 Ų84.420%0.20145%0.454CS..THydrogen-bonded Turntrans-66-13.4-178.211-13.9000114.5Y623 H626 V627 R632Y623-P634 HydrophobicContact CD1-CB 3.61Å; Y623-P634 HydrophobicContact CD1-CG 3.54Å; Y623-P634 HydrophobicContact CD2-CG 4.34Å; Y623-P634 HydrophobicContact CE1-CB 3.9Å; Y623-P634 HydrophobicContact CE1-CG 4.2Å; Y623-P634 HydrophobicContact CG-CB 4.21Å; Y623-P634 HydrophobicContact CG-CG 3.61Å; H626-P634 HydrophobicContact CB-CB 4.32Å; H626-P634 HydrophobicContact CB-CG 4.47Å; V627-P634 HydrophobicContact CG2-CG 4.11Å; R632-P634 WeakPolarHBondContact O-CD 3.41Å
635A79.6Confident79Confident75 Ų7585.4 Ų85.462%0.6246%0.458SS*.THydrogen-bonded Turntrans-97.3-26.8-179.100000114C633C633-A635 PolarHBondContact O-N 3.28Å; C633-A635 VanDerWaalsContact O-N 3.09Å
636C84.1Confident78.8Confident84 Ų8483.9 Ų83.957%0.56845%0.448SS*.THydrogen-bonded Turntrans-136.98.2-174.669.60000114.6C633 R638C633-C636 PolarHBondContact O-N 3.31Å; C636-R638 PolarHBondContact O-N 3.14Å
637D76Confident78.7Confident114 Ų11487.3 Ų87.361%0.6146%0.462SS*.  trans56.36.6179.1-73.4-34.8000116.9C633 R639C633-D637 WeakPolarHBondContact O-CA 3.36Å; C633-D637 PolarHBondContact O-N 3.2Å; D637-R639 PolarHBondContact O-N 3.15Å
638R80Confident78.7Confident162 Ų16294.4 Ų94.461%0.61149%0.493SS*.  trans-59.8124.7175-177.4-179.9170.7-159.8-7.3110.4R632 C633 C636R632-R638 CarbonylContact C-O 3.52Å; R632-R638 VanDerWaalsContact CA-O 3.28Å; R632-R638 WeakPolarHBondContact CA-O 3.25Å; C633-R638 HydrophobicContact CB-CB 4.49Å; C633-R638 PolarHBondContact N-O 2.81Å; C636-R638 PolarHBondContact O-N 3.14Å
639R77.5Confident78.8Confident148 Ų14890.2 Ų90.256%0.55847%0.472SS*.BIsolated β-bridgetrans-70.8142.2174.7-66.1-171.3177.4-171.62111.3R632 D637 D641R632-R639 HydrophobicContact CG-CG 4.09Å; D637-R639 PolarHBondContact O-N 3.15Å; R639-D641 WeakPolarHBondContact CB-OD1 3.44Å; R639-D641 PolarHBondContact O-N 3.47Å
640F80.7Confident78.9Confident36 Ų3686.2 Ų86.216%0.15845%0.446CS..  trans-9088.8173.4-62.2-60.1000109.4V627 P631 R632 C633 E645 A646 F649V627-F640 HydrophobicContact CG1-CD2 4.3Å; V627-F640 HydrophobicContact CG1-CE2 3.85Å; V627-F640 HydrophobicContact CG2-CE2 4.06Å; P631-F640 VanDerWaalsContact C-CD2 3.42Å; P631-F640 HydrophobicContact CB-CB 4.47Å; P631-F640 HydrophobicContact CB-CD2 4.45Å; P631-F640 PolarHBondContact O-N 3.35Å; R632-F640 VanDerWaalsContact C-CE2 3.45Å; C633-F640 HydrophobicContact CB-CZ 4.04Å; F640-E645 HydrophobicContact CB-CB 4.09Å; F640-E645 HydrophobicContact CD1-CB 3.86Å; F640-E645 HydrophobicContact CG-CB 4.3Å; F640-A646 HydrophobicContact CB-CB 4.3Å; F640-A646 HydrophobicContact CD2-CB 3.87Å; F640-A646 HydrophobicContact CG-CB 4.21Å; F640-F649 HydrophobicContact CZ-CB 4.17Å; F640-F649 HydrophobicContact CZ-CD2 4.4Å; F640-F649 HydrophobicContact CZ-CG 4.11Å
641D76.7Confident79.1Confident136 Ų13690.5 Ų90.573%0.72746%0.463SS*.  trans-80.2-19.3-172.3-58.9-37.4000113.2R639R639-D641 WeakPolarHBondContact CB-OD1 3.44Å; R639-D641 PolarHBondContact O-N 3.47Å
642K77.2Confident79.3Confident145 Ų14594 Ų9463%0.6347%0.471SS*.SBendtrans-95.8134.9-179.1-64.7-177.7-173.6170.50112G644 E645K642-G644 PolarHBondContact O-N 3.43Å; K642-E645 HydrophobicContact CB-CG 3.99Å; K642-E645 WeakPolarHBondContact CD-OE1 3.21Å; K642-E645 PolarHBondContact O-N 3.19Å; K642-E645 VanDerWaalsContact O-N 3.17Å
643P68.3Low79.5Confident140 Ų14089.9 Ų89.991%0.90946%0.457SS*.THydrogen-bonded Turntrans-62.8108176.925.3-31.6000109.7
644G76.5Confident79.4Confident35 Ų3592.5 Ų92.536%0.36148%0.475SS..THydrogen-bonded Turntrans119.6-16179.100000115.7K642 A646 K647 K648K642-G644 PolarHBondContact O-N 3.43Å; G644-A646 PolarHBondContact O-N 2.85Å; G644-K647 PolarHBondContact O-N 3.4Å; G644-K648 PolarHBondContact O-N 2.78Å; G644-K648 VanDerWaalsContact O-N 3.08Å
645E79.5Confident79.2Confident52 Ų5295.6 Ų95.624%0.24350%0.497CS..Hα-helixtrans-62.5-42.3177.6-82.2-177.7176.700112.2F640 K642 K647 K648 F649F640-E645 HydrophobicContact CB-CB 4.09Å; F640-E645 HydrophobicContact CD1-CB 3.86Å; F640-E645 HydrophobicContact CG-CB 4.3Å; K642-E645 HydrophobicContact CB-CG 3.99Å; K642-E645 WeakPolarHBondContact CD-OE1 3.21Å; K642-E645 PolarHBondContact O-N 3.19Å; K642-E645 VanDerWaalsContact O-N 3.17Å; E645-K647 PolarHBondContact O-N 3.39Å; E645-K648 PolarHBondContact O-N 3.4Å; E645-F649 PolarHBondContact O-N 3.25Å
646A77.8Confident78.8Confident23 Ų2398.5 Ų98.519%0.1950%0.501CS..Hα-helixtrans-63.2-39.5177.200000112.8V627 F640 G644 F649 I650V627-A646 HydrophobicContact CG1-CB 3.91Å; F640-A646 HydrophobicContact CB-CB 4.3Å; F640-A646 HydrophobicContact CD2-CB 3.87Å; F640-A646 HydrophobicContact CG-CB 4.21Å; G644-A646 PolarHBondContact O-N 2.85Å; A646-F649 PolarHBondContact O-N 3.43Å; A646-I650 WeakPolarHBondContact O-CG1 3.44Å; A646-I650 PolarHBondContact O-N 3.36Å
647K80.7Confident78.5Confident156 Ų15699.3 Ų99.368%0.67850%0.498SS*.Hα-helixtrans-65.7-44.8176.5-78.8-170.9177.1-176.30111.7G644 E645 F649 I650 E651G644-K647 PolarHBondContact O-N 3.4Å; E645-K647 PolarHBondContact O-N 3.39Å; K647-F649 VanDerWaalsContact C-N 3.27Å; K647-F649 PolarHBondContact O-N 2.71Å; K647-I650 PolarHBondContact O-N 2.81Å; K647-E651 PolarHBondContact O-N 2.85Å
648K81.9Confident78.7Confident155 Ų15598.5 Ų98.567%0.67449%0.492SS*.Hα-helixtrans-60.4-37.1175.5-75.8-176.3176.4-178.50112.4G644 E645 K652G644-K648 PolarHBondContact O-N 2.78Å; G644-K648 VanDerWaalsContact O-N 3.08Å; E645-K648 PolarHBondContact O-N 3.4Å; K648-K652 WeakPolarHBondContact O-CB 3.23Å; K648-K652 PolarHBondContact O-N 2.79Å
649F81.9Confident78.6Confident51 Ų5194.9 Ų94.922%0.22449%0.486CS..Hα-helixtrans-64.7-47.8174.2179.5-94.3000111.5V627 F640 E645 A646 K647 E651 K652 V653V627-F649 HydrophobicContact CB-CD1 4.42Å; V627-F649 HydrophobicContact CG1-CD1 4.33Å; V627-F649 HydrophobicContact CG2-CD1 3.74Å; V627-F649 HydrophobicContact CG2-CE1 3.65Å; F640-F649 HydrophobicContact CZ-CB 4.17Å; F640-F649 HydrophobicContact CZ-CD2 4.4Å; F640-F649 HydrophobicContact CZ-CG 4.11Å; E645-F649 PolarHBondContact O-N 3.25Å; A646-F649 PolarHBondContact O-N 3.43Å; K647-F649 VanDerWaalsContact C-N 3.27Å; K647-F649 PolarHBondContact O-N 2.71Å; F649-E651 PolarHBondContact O-N 3.07Å; F649-K652 PolarHBondContact O-N 3.06Å; F649-V653 HydrophobicContact CD1-CG2 4.13Å; F649-V653 HydrophobicContact CD2-CG2 4.31Å; F649-V653 HydrophobicContact CE1-CG2 3.74Å; F649-V653 HydrophobicContact CE2-CG2 3.93Å; F649-V653 HydrophobicContact CG-CG2 4.42Å; F649-V653 HydrophobicContact CZ-CG2 3.63Å; F649-V653 VanDerWaalsContact O-CG2 3.32Å; F649-V653 WeakPolarHBondContact O-CG2 3.29Å; F649-V653 PolarHBondContact O-N 2.86Å
650I82.5Confident78.7Confident36 Ų3691.8 Ų91.819%0.18548%0.481CS..Hα-helixtrans-61.2-45178.1-68.6169.2000111.2I624 V627 Q628 A646 K647 K652 V653 S654I624-I650 HydrophobicContact CG1-CG2 4.48Å; I624-I650 HydrophobicContact CG2-CG1 4.47Å; I624-I650 HydrophobicContact CG2-CG2 4.01Å; V627-I650 HydrophobicContact CB-CD1 4.5Å; V627-I650 HydrophobicContact CB-CG1 4.4Å; V627-I650 HydrophobicContact CG1-CD1 4.04Å; V627-I650 HydrophobicContact CG1-CG1 4.05Å; Q628-I650 HydrophobicContact CG-CD1 3.98Å; A646-I650 WeakPolarHBondContact O-CG1 3.44Å; A646-I650 PolarHBondContact O-N 3.36Å; K647-I650 PolarHBondContact O-N 2.81Å; I650-K652 VanDerWaalsContact C-N 3.34Å; I650-K652 PolarHBondContact O-N 3.29Å; I650-V653 PolarHBondContact O-N 2.82Å; I650-S654 VanDerWaalsContact O-CB 3.26Å; I650-S654 WeakPolarHBondContact O-CB 3.49Å; I650-S654 PolarHBondContact O-N 2.83Å; I650-S654 PolarHBondContact O-OG 3.33Å
651E83.1Confident78.5Confident133 Ų13395.3 Ų95.362%0.62150%0.502SS*.Hα-helixtrans-59.4-45.2176.4-78173.2177.800111.5K647 F649 S654 S655K647-E651 PolarHBondContact O-N 2.85Å; F649-E651 PolarHBondContact O-N 3.07Å; E651-S654 PolarHBondContact O-N 3.39Å; E651-S655 PolarHBondContact O-N 3.47Å; E651-S655 VanDerWaalsContact O-N 3.08Å
652K82.7Confident78.7Confident148 Ų14892.6 Ų92.664%0.64349%0.486SS*.Hα-helixtrans-65.1-42.7178.9-169.1172.1-176.7179.20112.2K648 F649 I650 S654 S655 I656K648-K652 WeakPolarHBondContact O-CB 3.23Å; K648-K652 PolarHBondContact O-N 2.79Å; F649-K652 PolarHBondContact O-N 3.06Å; I650-K652 VanDerWaalsContact C-N 3.34Å; I650-K652 PolarHBondContact O-N 3.29Å; K652-S654 VanDerWaalsContact C-N 3.32Å; K652-S655 PolarHBondContact O-N 3.22Å; K652-S655 PolarHBondContact O-OG 2.83Å; K652-I656 WeakPolarHBondContact O-CG1 3.43Å
653V82Confident78.8Confident10 Ų1088.9 Ų88.96%0.06148%0.476CS..Hα-helixtrans-71.2-28.8178.5176.30000111.9Y620 I624 F649 I650 S655Y620-V653 HydrophobicContact CD1-CG1 3.66Å; Y620-V653 HydrophobicContact CG-CG1 3.8Å; I624-V653 HydrophobicContact CD1-CB 4.49Å; I624-V653 HydrophobicContact CD1-CG1 3.95Å; I624-V653 HydrophobicContact CG1-CB 4.24Å; I624-V653 HydrophobicContact CG1-CG1 3.82Å; F649-V653 HydrophobicContact CD1-CG2 4.13Å; F649-V653 HydrophobicContact CD2-CG2 4.31Å; F649-V653 HydrophobicContact CE1-CG2 3.74Å; F649-V653 HydrophobicContact CE2-CG2 3.93Å; F649-V653 HydrophobicContact CG-CG2 4.42Å; F649-V653 HydrophobicContact CZ-CG2 3.63Å; F649-V653 VanDerWaalsContact O-CG2 3.32Å; F649-V653 WeakPolarHBondContact O-CG2 3.29Å; F649-V653 PolarHBondContact O-N 2.86Å; I650-V653 PolarHBondContact O-N 2.82Å; V653-S655 VanDerWaalsContact C-N 3.34Å
654S78.8Confident79.6Confident72 Ų7284.9 Ų84.950%0.50344%0.443SS..Hα-helixtrans-80.1-15.2176.8-53.20000113.4I624 I650 E651 K652I624-S654 WeakPolarHBondContact CD1-OG 3.38Å; I650-S654 VanDerWaalsContact O-CB 3.26Å; I650-S654 WeakPolarHBondContact O-CB 3.49Å; I650-S654 PolarHBondContact O-N 2.83Å; I650-S654 PolarHBondContact O-OG 3.33Å; E651-S654 PolarHBondContact O-N 3.39Å; K652-S654 VanDerWaalsContact C-N 3.32Å
655S76.6Confident79.8Confident96 Ų9689.1 Ų89.167%0.67145%0.45SS*.THydrogen-bonded Turntrans-85.1-11.3174.169.70000114.2E651 K652 V653E651-S655 PolarHBondContact O-N 3.47Å; E651-S655 VanDerWaalsContact O-N 3.08Å; K652-S655 PolarHBondContact O-N 3.22Å; K652-S655 PolarHBondContact O-OG 2.83Å; V653-S655 VanDerWaalsContact C-N 3.34Å
656I70.4Confident79.9Confident137 Ų13792.5 Ų92.570%0.70347%0.469SS*.  trans-94.70174.6-57.4166.8000107.4Y620 K652Y620-I656 HydrophobicContact CD2-CG2 4.19Å; Y620-I656 HydrophobicContact CE2-CB 4.2Å; Y620-I656 HydrophobicContact CE2-CG2 3.5Å; Y620-I656 VanDerWaalsContact CE2-CG2 3.5Å; K652-I656 WeakPolarHBondContact O-CG1 3.43Å

Retrieved 656 of 656 residues in 604.3 ms (Link to these results)

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