A0A060WCI0_ONCMY Loading...

Protein SHQ1 homolog

AlphaFold DB , UniProt , Accession A0A060WCI0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 610 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
1M64.8Low81.9Confident147 Ų14751.5 Ų51.572%0.72427%0.274SS*.  0147.40-75.9-170.8-108.100109.5Y41 P44 F46 E166M1-Y41 HydrophobicContact SD-CE2 4.38Å; M1-P44 CarbonylContact C-O 3.59Å; M1-P44 VanDerWaalsContact CA-O 3.29Å; M1-P44 WeakPolarHBondContact CA-O 2.94Å; M1-F46 HydrophobicContact CB-CB 4.49Å; M1-F46 HydrophobicContact SD-CB 4.06Å; M1-F46 HydrophobicContact SD-CG 4.41Å; M1-E166 PolarHBondContact N-OE2 3.25Å
2I73.8Confident82Confident32 Ų3254.8 Ų54.816%0.16430%0.301CS..BIsolated β-bridgetrans-127.4132.8-169.9-47.8166.7000110.7P4 P44 Y45 F46 R163 L164I2-P4 VanDerWaalsContact O-CD 3.28Å; I2-P4 WeakPolarHBondContact O-CD 3.2Å; I2-P44 HydrophobicContact CD1-CB 4.27Å; I2-P44 HydrophobicContact CD1-CG 3.82Å; I2-P44 PolarHBondContact N-O 3.38Å; I2-Y45 HydrophobicContact CB-CD1 4.07Å; I2-Y45 HydrophobicContact CD1-CE1 4.42Å; I2-Y45 HydrophobicContact CG2-CD1 4.23Å; I2-Y45 HydrophobicContact CG2-CE1 4.4Å; I2-Y45 CarbonylContact O-C 3.44Å; I2-Y45 VanDerWaalsContact O-CA 3.22Å; I2-Y45 WeakPolarHBondContact O-CA 3.13Å; I2-F46 PolarHBondContact O-N 2.87Å; I2-R163 HydrophobicContact CD1-CG 4Å; I2-R163 WeakPolarHBondContact CD1-O 3.38Å; I2-L164 HydrophobicContact CD1-CD2 4.07Å
3T79.8Confident82.2Confident14 Ų1455.7 Ų55.79%0.08631%0.309CS..  trans-73.1113.7166.2-34.90000109.1F46 L47 L95 Q134 E135 Y137T3-F46 WeakPolarHBondContact CA-O 3.35Å; T3-L47 HydrophobicContact CG2-CD1 3.66Å; T3-L95 HydrophobicContact CG2-CD2 3.92Å; T3-Q134 HydrophobicContact CG2-CB 4.19Å; T3-E135 WeakPolarHBondContact CB-O 3.32Å; T3-E135 PolarHBondContact OG1-O 3.34Å; T3-Y137 WeakPolarHBondContact O-CB 3.33Å
4P82Confident82.5Confident1 Ų155.6 Ų55.61%0.00630%0.304CS..  trans-66.5157176.829.3-33.8000110.7I2 F6 I19 V21 Y45 L47I2-P4 VanDerWaalsContact O-CD 3.28Å; I2-P4 WeakPolarHBondContact O-CD 3.2Å; P4-F6 WeakPolarHBondContact O-CD1 3.31Å; P4-I19 HydrophobicContact CB-CG2 3.56Å; P4-I19 HydrophobicContact CG-CG2 3.34Å; P4-V21 HydrophobicContact CB-CG1 3.92Å; P4-V21 HydrophobicContact CG-CG1 4.43Å; P4-Y45 HydrophobicContact CB-CD1 3.72Å; P4-Y45 HydrophobicContact CB-CE1 4.4Å; P4-Y45 HydrophobicContact CB-CG 4.25Å; P4-Y45 HydrophobicContact CG-CD1 4.49Å; P4-L47 HydrophobicContact CG-CB 3.91Å; P4-L47 HydrophobicContact CG-CD1 4.49Å; P4-L47 HydrophobicContact CG-CD2 4.36Å; P4-L47 HydrophobicContact CG-CG 4.49Å
5A82.6Confident82.7Confident27 Ų2752.1 Ų52.122%0.22329%0.285CS..EExtended strand (participates in β ladder)trans-69.5134.7166.800000109.1R20A5-R20 HydrophobicContact CB-CB 4.42Å; A5-R20 PolarHBondContact O-N 2.76Å
6F86.3Confident83.1Confident7 Ų750.4 Ų50.43%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-144.5151.5-174.470.2-80.9000112.3P4 L8 L17 T18 I19 L47 L49 L91 L95 V136P4-F6 WeakPolarHBondContact O-CD1 3.31Å; F6-L8 HydrophobicContact CD2-CD1 3.4Å; F6-L8 VanDerWaalsContact CD2-CD1 3.4Å; F6-L8 HydrophobicContact CE2-CD1 3.43Å; F6-L8 VanDerWaalsContact CE2-CD1 3.43Å; F6-L17 HydrophobicContact CB-CD1 4.42Å; F6-L17 HydrophobicContact CD2-CD1 4.1Å; F6-T18 CarbonylContact C-O 3.53Å; F6-T18 WeakPolarHBondContact CA-O 3.5Å; F6-I19 HydrophobicContact CB-CG2 4.43Å; F6-L47 HydrophobicContact CB-CD2 3.92Å; F6-L47 HydrophobicContact CD1-CD1 3.58Å; F6-L47 HydrophobicContact CD1-CD2 4.11Å; F6-L47 HydrophobicContact CD2-CD2 4.28Å; F6-L47 HydrophobicContact CE1-CD1 3.69Å; F6-L47 HydrophobicContact CG-CD1 4.15Å; F6-L47 HydrophobicContact CG-CD2 3.84Å; F6-L47 HydrophobicContact CZ-CD1 4.33Å; F6-L49 HydrophobicContact CD2-CD1 4.14Å; F6-L49 HydrophobicContact CD2-CD2 4.08Å; F6-L49 HydrophobicContact CE1-CD2 4.25Å; F6-L49 HydrophobicContact CE2-CD1 4.08Å; F6-L49 HydrophobicContact CE2-CD2 3.35Å; F6-L49 HydrophobicContact CE2-CG 4.37Å; F6-L49 HydrophobicContact CZ-CD2 3.46Å; F6-L49 VanDerWaalsContact CZ-CD2 3.46Å; F6-L91 HydrophobicContact CD2-CD2 4.31Å; F6-L91 HydrophobicContact CE2-CB 4.47Å; F6-L91 HydrophobicContact CE2-CD2 3.69Å; F6-L91 HydrophobicContact CZ-CB 3.97Å; F6-L91 HydrophobicContact CZ-CD2 4.05Å; F6-L91 HydrophobicContact CZ-CG 4.44Å; F6-L95 HydrophobicContact CE1-CD1 4.04Å; F6-L95 HydrophobicContact CE1-CD2 3.96Å; F6-L95 HydrophobicContact CE1-CG 4.27Å; F6-L95 HydrophobicContact CZ-CD1 4.06Å; F6-L95 HydrophobicContact CZ-CD2 4.08Å; F6-L95 HydrophobicContact CZ-CG 4.05Å; F6-V136 HydrophobicContact CE1-CG2 4.28Å
7E85.1Confident83.4Confident142 Ų14247.6 Ų47.666%0.66426%0.26SS*.EExtended strand (participates in β ladder)trans-130.1139.6177.1-64.7-179.3178.500109.7T18E7-T18 PolarHBondContact N-O 3.28Å; E7-T18 PolarHBondContact O-N 2.91Å
8L86Confident83.6Confident9 Ų946.4 Ų46.45%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-113127.4172.8-72.187000110F6 L15 L17 L49 L51 L88 L91 L94F6-L8 HydrophobicContact CD2-CD1 3.4Å; F6-L8 VanDerWaalsContact CD2-CD1 3.4Å; F6-L8 HydrophobicContact CE2-CD1 3.43Å; F6-L8 VanDerWaalsContact CE2-CD1 3.43Å; L8-L15 HydrophobicContact CD2-CD1 4.32Å; L8-L15 HydrophobicContact CD2-CD2 4.22Å; L8-L17 HydrophobicContact CD1-CD1 3.74Å; L8-L17 HydrophobicContact CD2-CD1 4.4Å; L8-L17 HydrophobicContact CG-CD1 3.7Å; L8-L49 HydrophobicContact CD1-CD1 4.09Å; L8-L49 HydrophobicContact CD2-CD1 4.31Å; L8-L51 HydrophobicContact CD2-CD2 3.65Å; L8-L88 HydrophobicContact CB-CB 4.11Å; L8-L88 HydrophobicContact CB-CD1 4.4Å; L8-L88 HydrophobicContact CB-CD2 4.22Å; L8-L88 HydrophobicContact CB-CG 4.49Å; L8-L88 HydrophobicContact CD2-CD2 3.86Å; L8-L91 HydrophobicContact CD1-CD2 4.36Å; L8-L94 HydrophobicContact CD1-CD1 3.82Å; L8-L94 HydrophobicContact CD2-CD1 4.14Å
9S85.6Confident83.8Confident62 Ų6243.9 Ų43.943%0.43424%0.241SC..EExtended strand (participates in β ladder)trans-124.7166.1166.357.10000109.3I16S9-I16 PolarHBondContact N-O 2.97Å; S9-I16 PolarHBondContact O-N 2.65Å; S9-I16 VanDerWaalsContact O-O 3.13Å; S9-I16 WeakPolarHBondContact OG-CB 3.41Å
10Q88.1Confident83.8Confident45 Ų4546.8 Ų46.821%0.2125%0.248CC..EExtended strand (participates in β ladder)trans-146.9144.8-176.567.1179.9-43.200112.5L15 H84 F85 L88Q10-L15 HydrophobicContact CB-CD1 4.15Å; Q10-H84 PolarHBondContact NE2-CD2 2.78Å; Q10-H84 PolarHBondContact NE2-CE1 2.78Å; Q10-H84 PolarHBondContact NE2-NE2 3.15Å; Q10-H84 VanDerWaalsContact NE2-NE2 3.2Å; Q10-F85 PolarHBondContact NE2-O 2.88Å; Q10-L88 HydrophobicContact CB-CD1 3.9Å; Q10-L88 HydrophobicContact CG-CD1 3.83Å
11D86.4Confident83.7Confident80 Ų8044.6 Ų44.643%0.42824%0.236SC..  trans-105.4172.3166.3-78.4-30.1000109.9T13 F14 K78D11-T13 PolarHBondContact O-N 2.58Å; D11-F14 PolarHBondContact N-O 3.44Å; D11-K78 PolarHBondContact O-NZ 3.34Å
12P83.6Confident84.2Confident92 Ų9238.6 Ų38.660%0.59721%0.208SC*.SBendtrans-58.1-25.6172-26.436.3000113.8G82P12-G82 WeakPolarHBondContact O-CA 3.22Å; P12-G82 PolarHBondContact O-N 3.38Å
13T84.1Confident84Confident66 Ų6640.2 Ų40.241%0.40521%0.213SC..SBendtrans-114.1-23-174.851.60000114.8D11 K78D11-T13 PolarHBondContact O-N 2.58Å; T13-K78 PolarHBondContact O-N 3.21Å
14F86.3Confident83.5Confident54 Ų5440.2 Ų40.224%0.23721%0.213CC..EExtended strand (participates in β ladder)trans-131.2148.4-174.6-63-79.2000111.6D11 R60 V76 P77D11-F14 PolarHBondContact N-O 3.44Å; F14-R60 HydrophobicContact CE1-CB 4.48Å; F14-V76 CarbonylContact C-O 3.55Å; F14-V76 WeakPolarHBondContact CA-O 3.2Å; F14-P77 HydrophobicContact CD1-CB 4.04Å; F14-P77 HydrophobicContact CE1-CB 3.94Å
15L86.9Confident82.7Confident4 Ų442.7 Ų42.72%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-94.2132.6159.7-172.868.9000107.6L8 Q10 L51 I55 H75 V76 F85 L88L8-L15 HydrophobicContact CD2-CD1 4.32Å; L8-L15 HydrophobicContact CD2-CD2 4.22Å; Q10-L15 HydrophobicContact CB-CD1 4.15Å; L15-L51 HydrophobicContact CD2-CD1 3.67Å; L15-L51 HydrophobicContact CD2-CD2 3.95Å; L15-L51 HydrophobicContact CD2-CG 4.46Å; L15-I55 HydrophobicContact CB-CG2 4.33Å; L15-I55 HydrophobicContact CD2-CG2 4.02Å; L15-H75 WeakPolarHBondContact O-CA 3.44Å; L15-V76 PolarHBondContact N-O 3.34Å; L15-V76 PolarHBondContact O-N 3.02Å; L15-F85 HydrophobicContact CD1-CD2 4.09Å; L15-F85 HydrophobicContact CD2-CD2 4.42Å; L15-F85 HydrophobicContact CD2-CE2 4.24Å; L15-L88 HydrophobicContact CD1-CD1 3.91Å; L15-L88 HydrophobicContact CD1-CD2 4.08Å
16I88.4Confident81.8Confident24 Ų2443.9 Ų43.912%0.12323%0.227CC..EExtended strand (participates in β ladder)trans-114.1108-179-52.7176.8000107.5S9 T73 L74S9-I16 PolarHBondContact N-O 2.97Å; S9-I16 PolarHBondContact O-N 2.65Å; S9-I16 VanDerWaalsContact O-O 3.13Å; S9-I16 WeakPolarHBondContact OG-CB 3.41Å; I16-T73 HydrophobicContact CG2-CG2 3.81Å; I16-L74 WeakPolarHBondContact CA-O 3.47Å
17L87.6Confident80.6Confident4 Ų448 Ų482%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-101.6120.1178178.166.7000109.4F6 L8 I19 F38 L49 T73 L74F6-L17 HydrophobicContact CB-CD1 4.42Å; F6-L17 HydrophobicContact CD2-CD1 4.1Å; L8-L17 HydrophobicContact CD1-CD1 3.74Å; L8-L17 HydrophobicContact CD2-CD1 4.4Å; L8-L17 HydrophobicContact CG-CD1 3.7Å; L17-I19 HydrophobicContact CD1-CG1 4.29Å; L17-I19 HydrophobicContact CD2-CD1 3.74Å; L17-I19 HydrophobicContact CD2-CG1 3.94Å; L17-I19 HydrophobicContact CG-CD1 4.12Å; L17-I19 HydrophobicContact CG-CG1 3.73Å; L17-F38 HydrophobicContact CD2-CD1 3.8Å; L17-F38 HydrophobicContact CD2-CE1 3.17Å; L17-F38 HydrophobicContact CD2-CE2 4.19Å; L17-F38 HydrophobicContact CD2-CZ 3.4Å; L17-F38 VanDerWaalsContact CD2-CZ 3.4Å; L17-L49 HydrophobicContact CD1-CD1 3.72Å; L17-L49 HydrophobicContact CD2-CD1 4.1Å; L17-T73 CarbonylContact O-C 3.53Å; L17-T73 WeakPolarHBondContact O-CA 3.42Å; L17-L74 PolarHBondContact N-O 3.1Å; L17-L74 PolarHBondContact O-N 2.81Å
18T87.7Confident79.8Confident25 Ų2544.8 Ų44.815%0.15324%0.241CC..EExtended strand (participates in β ladder)trans-109.2111.2177.4-60.70000108.7F6 E7 L71 F72F6-T18 CarbonylContact C-O 3.53Å; F6-T18 WeakPolarHBondContact CA-O 3.5Å; E7-T18 PolarHBondContact N-O 3.28Å; E7-T18 PolarHBondContact O-N 2.91Å; T18-L71 HydrophobicContact CG2-CD1 3.8Å; T18-L71 HydrophobicContact CG2-CD2 3.62Å; T18-L71 HydrophobicContact CG2-CG 3.66Å; T18-F72 CarbonylContact C-O 3.57Å; T18-F72 WeakPolarHBondContact CA-O 3.22Å
19I87.7Confident79.5Confident0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-111.5127.8-177.9-42.5179.1000109.1P4 F6 L17 V21 F38 F40 L47 F72P4-I19 HydrophobicContact CB-CG2 3.56Å; P4-I19 HydrophobicContact CG-CG2 3.34Å; F6-I19 HydrophobicContact CB-CG2 4.43Å; L17-I19 HydrophobicContact CD1-CG1 4.29Å; L17-I19 HydrophobicContact CD2-CD1 3.74Å; L17-I19 HydrophobicContact CD2-CG1 3.94Å; L17-I19 HydrophobicContact CG-CD1 4.12Å; L17-I19 HydrophobicContact CG-CG1 3.73Å; I19-V21 HydrophobicContact CG2-CG1 3.94Å; I19-F38 HydrophobicContact CD1-CE1 4.43Å; I19-F40 HydrophobicContact CD1-CB 4Å; I19-F40 HydrophobicContact CD1-CD1 3.67Å; I19-F40 HydrophobicContact CD1-CD2 3.75Å; I19-F40 HydrophobicContact CD1-CE1 3.98Å; I19-F40 HydrophobicContact CD1-CE2 4.05Å; I19-F40 HydrophobicContact CD1-CG 3.53Å; I19-F40 HydrophobicContact CD1-CZ 4.14Å; I19-F40 HydrophobicContact CG2-CD1 4.4Å; I19-F40 HydrophobicContact CG2-CE1 4.05Å; I19-L47 HydrophobicContact CD1-CD2 3.96Å; I19-L47 HydrophobicContact CG1-CD2 4.22Å; I19-L47 HydrophobicContact CG2-CD2 4.33Å; I19-F72 HydrophobicContact CB-CB 4.4Å; I19-F72 HydrophobicContact CB-CD1 4.44Å; I19-F72 HydrophobicContact CD1-CD1 4Å; I19-F72 HydrophobicContact CD1-CE1 4.43Å; I19-F72 HydrophobicContact CG1-CD1 4.26Å; I19-F72 PolarHBondContact N-O 3.4Å; I19-F72 PolarHBondContact O-N 2.94Å
20R83.7Confident79.4Confident101 Ų10148.4 Ų48.438%0.38125%0.254SS..EExtended strand (participates in β ladder)trans-93.2103.5177.3-174.6165171.4-145.6-7.3110.2A5 P22 G70 L71 D139A5-R20 HydrophobicContact CB-CB 4.42Å; A5-R20 PolarHBondContact O-N 2.76Å; R20-P22 HydrophobicContact CG-CG 4.43Å; R20-P22 WeakPolarHBondContact O-CD 3.34Å; R20-G70 CarbonylContact C-O 3.34Å; R20-G70 WeakPolarHBondContact CA-O 3.38Å; R20-L71 HydrophobicContact CB-CD1 4.39Å; R20-D139 IonicContact CZ-OD2 3.46Å; R20-D139 IonicContact NH1-OD1 3.25Å; R20-D139 IonicContact NH1-OD2 2.67Å; R20-D139 PolarHBondContact NH1-OD2 2.76Å; R20-D139 IonicContact NH2-OD1 2.89Å; R20-D139 IonicContact NH2-OD2 2.64Å
21V81Confident79.2Confident0 Ų049 Ų490%026%0.258CS..  trans-121.666.2-179.9-70.30000112.1P4 I19 T24 F29 F40 Y45 F65 G70 F72P4-V21 HydrophobicContact CB-CG1 3.92Å; P4-V21 HydrophobicContact CG-CG1 4.43Å; I19-V21 HydrophobicContact CG2-CG1 3.94Å; V21-T24 HydrophobicContact CB-CG2 3.84Å; V21-T24 HydrophobicContact CG2-CG2 4.47Å; V21-T24 PolarHBondContact O-OG1 2.72Å; V21-F29 HydrophobicContact CG2-CE1 4.5Å; V21-F40 HydrophobicContact CG1-CE1 3.73Å; V21-F40 HydrophobicContact CG1-CZ 3.93Å; V21-F40 HydrophobicContact CG2-CZ 4.32Å; V21-Y45 HydrophobicContact CB-CD2 3.93Å; V21-Y45 HydrophobicContact CB-CE2 4.02Å; V21-Y45 HydrophobicContact CB-CG 4.41Å; V21-Y45 HydrophobicContact CG1-CD1 4.26Å; V21-Y45 HydrophobicContact CG1-CD2 3.73Å; V21-Y45 HydrophobicContact CG1-CE2 4.22Å; V21-Y45 HydrophobicContact CG1-CG 3.73Å; V21-F65 HydrophobicContact CG2-CE2 3.84Å; V21-G70 CarbonylContact C-O 3.51Å; V21-G70 PolarHBondContact N-O 2.69Å; V21-F72 HydrophobicContact CG2-CB 3.9Å
22P76.1Confident79.1Confident22 Ų2250.6 Ų50.614%0.14326%0.259CS..THydrogen-bonded Turntrans-64.6144.3176.522.1-30.5000112.4R20 Y45 R163R20-P22 HydrophobicContact CG-CG 4.43Å; R20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-Y45 PolarHBondContact O-OH 2.64Å; P22-R163 PolarHBondContact O-NH2 3.15Å
23Y68.4Low79.1Confident65 Ų6547.3 Ų47.326%0.25524%0.236SC..THydrogen-bonded Turntrans60.535.7-175.9-42.9-42.7000114.2V160 L164 Y370 I371 D374Y23-V160 HydrophobicContact CD2-CG1 3.95Å; Y23-V160 HydrophobicContact CE2-CB 4.49Å; Y23-V160 HydrophobicContact CE2-CG1 3.71Å; Y23-V160 HydrophobicContact CE2-CG2 4.03Å; Y23-L164 HydrophobicContact CD2-CD1 3.95Å; Y23-Y370 WeakPolarHBondContact O-CE2 3.39Å; Y23-Y370 PolarHBondContact O-OH 2.9Å; Y23-I371 HydrophobicContact CD2-CD1 4.29Å; Y23-D374 HydrophobicContact CD1-CB 4.05Å; Y23-D374 WeakPolarHBondContact CD1-OD2 3.37Å; Y23-D374 HydrophobicContact CE1-CB 4.16Å
24T69.3Low78.9Confident15 Ų1548.4 Ų48.49%0.09224%0.24CC..  trans-102.3151.3167.856.20000112.6V21 Y45 F65V21-T24 HydrophobicContact CB-CG2 3.84Å; V21-T24 HydrophobicContact CG2-CG2 4.47Å; V21-T24 PolarHBondContact O-OG1 2.72Å; T24-Y45 HydrophobicContact CG2-CD2 3.45Å; T24-Y45 VanDerWaalsContact CG2-CD2 3.45Å; T24-Y45 HydrophobicContact CG2-CE2 3.39Å; T24-F65 WeakPolarHBondContact OG1-CZ 3.19Å
25R64.9Low78.8Confident52 Ų5247 Ų4720%0.19624%0.24CC..  trans-83.5137.5171-62.6176.4175.4-154.8-1.9111.3S27 R364 N366 E367 Y370R25-S27 PolarHBondContact O-N 3.02Å; R25-S27 VanDerWaalsContact O-N 3.1Å; R25-R364 PolarHBondContact NH1-O 2.88Å; R25-R364 PolarHBondContact NH2-O 3.41Å; R25-N366 PolarHBondContact NH2-O 2.94Å; R25-E367 IonicContact CZ-OE1 3.42Å; R25-E367 IonicContact NE-OE1 3.76Å; R25-E367 IonicContact NH1-OE1 3.74Å; R25-E367 PolarHBondContact NH1-OE1 2.77Å; R25-Y370 HydrophobicContact CG-CD2 4.41Å; R25-Y370 HydrophobicContact CG-CE2 4.37Å; R25-Y370 VanDerWaalsContact NE-CD1 3.32Å
26T63.9Low78.6Confident53 Ų5349 Ų4933%0.32525%0.251SS..THydrogen-bonded Turntrans-67.6-7.7178.7-36.60000114.6F29 F65 I591T26-F29 HydrophobicContact CG2-CD2 4.45Å; T26-F29 HydrophobicContact CG2-CE2 3.97Å; T26-F65 HydrophobicContact CG2-CD1 4.03Å; T26-F65 WeakPolarHBondContact OG1-CD1 3.36Å; T26-I591 HydrophobicContact CG2-CD1 3.89Å
27S62.8Low78.3Confident93 Ų9349.4 Ų49.465%0.6525%0.253SS*.THydrogen-bonded Turntrans-87.9-10.4-176.448.20000114.6R25R25-S27 PolarHBondContact O-N 3.02Å; R25-S27 VanDerWaalsContact O-N 3.1Å
28E67.4Low78.2Confident75 Ų7549.3 Ų49.335%0.3525%0.253SS..  trans-130.252.3-169.4-58.1-167.917600111.5
29F79.2Confident78.2Confident38 Ų3851.3 Ų51.317%0.16726%0.259CS..  trans-107.5111.8172.9-63.1-36.6000110V21 T26 F40 A42 F65 F72V21-F29 HydrophobicContact CG2-CE1 4.5Å; T26-F29 HydrophobicContact CG2-CD2 4.45Å; T26-F29 HydrophobicContact CG2-CE2 3.97Å; F29-F40 HydrophobicContact CD1-CE2 4.38Å; F29-F40 HydrophobicContact CD1-CZ 4.42Å; F29-A42 HydrophobicContact CD1-CB 3.5Å; F29-A42 VanDerWaalsContact CD1-CB 3.5Å; F29-A42 HydrophobicContact CE1-CB 3.76Å; F29-F65 HydrophobicContact CE2-CB 4.17Å; F29-F65 AromaticContact CE2-CD1 3.97Å; F29-F65 HydrophobicContact CE2-CD1 3.97Å; F29-F65 HydrophobicContact CE2-CD2 4.29Å; F29-F65 HydrophobicContact CE2-CE1 4.42Å; F29-F65 AromaticContact CE2-CG 3.88Å; F29-F65 HydrophobicContact CE2-CG 3.88Å; F29-F65 AromaticContact CZ-CD1 3.98Å; F29-F65 HydrophobicContact CZ-CD1 3.98Å; F29-F65 HydrophobicContact CZ-CD2 4.01Å; F29-F65 HydrophobicContact CZ-CE1 4Å; F29-F65 HydrophobicContact CZ-CE2 4.06Å; F29-F65 AromaticContact CZ-CG 3.98Å; F29-F65 HydrophobicContact CZ-CG 3.98Å; F29-F65 HydrophobicContact CZ-CZ 4.05Å; F29-F72 HydrophobicContact CD2-CD2 4.18Å; F29-F72 AromaticContact CD2-CE2 3.91Å; F29-F72 HydrophobicContact CD2-CE2 3.91Å; F29-F72 AromaticContact CE2-CD2 3.93Å; F29-F72 HydrophobicContact CE2-CD2 3.93Å; F29-F72 HydrophobicContact CE2-CE2 4.13Å; F29-F72 HydrophobicContact CG-CE2 4.37Å; F29-F72 HydrophobicContact CZ-CD2 4.28Å
30D83.2Confident78.2Confident108 Ų10851.3 Ų51.358%0.57826%0.259SS*.EExtended strand (participates in β ladder)trans-103.9130171.2-72.8-45.4000110Y41D30-Y41 HydrophobicContact CB-CD1 4.42Å; D30-Y41 PolarHBondContact N-O 2.78Å; D30-Y41 PolarHBondContact O-N 2.79Å
31L85.3Confident78.2Confident57 Ų5750.7 Ų50.730%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-118.8137.2178.5-71.8167.6000109.1F38 F40 F72 L74L31-F38 HydrophobicContact CD2-CE2 3.94Å; L31-F38 HydrophobicContact CD2-CZ 3.77Å; L31-F40 HydrophobicContact CD2-CB 4.36Å; L31-F40 HydrophobicContact CD2-CD2 3.8Å; L31-F72 HydrophobicContact CD1-CZ 4.3Å; L31-F72 HydrophobicContact CD2-CE1 4.36Å; L31-F72 HydrophobicContact CD2-CZ 4.4Å; L31-L74 HydrophobicContact CD1-CD1 4.09Å; L31-L74 HydrophobicContact CD1-CD2 4.41Å; L31-L74 HydrophobicContact CD2-CD2 3.86Å
32Y83.9Confident78.2Confident115 Ų11550.8 Ų50.845%0.45126%0.258SS..EExtended strand (participates in β ladder)trans-133.2123.2170.9-179.5-88.4000109.1D34 K39Y32-D34 HydrophobicContact CD1-CB 4.15Å; Y32-D34 HydrophobicContact CE1-CB 3.3Å; Y32-D34 PolarHBondContact OH-OD2 3.42Å; Y32-K39 HydrophobicContact CD1-CD 4.15Å; Y32-K39 PolarHBondContact N-O 2.99Å; Y32-K39 PolarHBondContact O-N 3.08Å
33I84.2Confident77.8Confident23 Ų2353.3 Ų53.312%0.11827%0.267CS..EExtended strand (participates in β ladder)trans-124.3118.4-178.7-68.4160.4000107.5F38 I55 V76I33-F38 HydrophobicContact CG1-CD2 3.89Å; I33-F38 HydrophobicContact CG1-CE2 4.19Å; I33-I55 HydrophobicContact CB-CD1 4.5Å; I33-I55 HydrophobicContact CG1-CD1 4.26Å; I33-I55 HydrophobicContact CG2-CD1 3.68Å; I33-I55 HydrophobicContact CG2-CG1 3.84Å; I33-V76 HydrophobicContact CD1-CG1 3.9Å; I33-V76 HydrophobicContact CD1-CG2 4.21Å
34D80.1Confident77.9Confident89 Ų8950.7 Ų50.748%0.47626%0.258SS..EExtended strand (participates in β ladder)trans-142.784.5-178.3-173.48.5000110.6Y32 D36 D37Y32-D34 HydrophobicContact CD1-CB 4.15Å; Y32-D34 HydrophobicContact CE1-CB 3.3Å; Y32-D34 PolarHBondContact OH-OD2 3.42Å; D34-D36 PolarHBondContact O-N 2.77Å; D34-D37 PolarHBondContact N-O 3.12Å; D34-D37 PolarHBondContact O-N 2.92Å
35G82.7Confident78.4Confident23 Ų2350.2 Ų50.224%0.23725%0.254CS..EExtended strand (participates in β ladder)trans64.1-94.9-18000000112.4K54 I55G35-K54 CarbonylContact O-C 3.55Å; G35-K54 WeakPolarHBondContact O-CA 3.44Å; G35-I55 WeakPolarHBondContact O-CG1 3.46Å; G35-I55 PolarHBondContact O-N 2.91Å
36D82.4Confident79.3Confident47 Ų4750.6 Ų50.625%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-108.1-1.5179.659.66.7000113.7D34 T50 L51 K98D34-D36 PolarHBondContact O-N 2.77Å; D36-T50 CarbonylContact O-C 3.52Å; D36-T50 WeakPolarHBondContact O-CA 3.29Å; D36-L51 PolarHBondContact O-N 2.94Å; D36-K98 IonicContact OD1-NZ 2.65Å; D36-K98 PolarHBondContact OD1-NZ 3.3Å; D36-K98 WeakPolarHBondContact OD2-CE 3.36Å; D36-K98 IonicContact OD2-NZ 3.37Å; D36-K98 PolarHBondContact OD2-NZ 3.24Å
37D82.6Confident80.3Confident32 Ų3248.1 Ų48.117%0.17124%0.242CC..EExtended strand (participates in β ladder)trans-101121.8172.7-175.417.4000110.6D34 K39D34-D37 PolarHBondContact N-O 3.12Å; D34-D37 PolarHBondContact O-N 2.92Å; D37-K39 IonicContact OD1-NZ 2.69Å; D37-K39 WeakPolarHBondContact OD2-CE 3.27Å; D37-K39 IonicContact OD2-NZ 3.28Å; D37-K39 PolarHBondContact OD2-NZ 3.27Å
38F86.6Confident81.4Confident3 Ų345 Ų451%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-116124.5174173.7-91.6000109.5L17 I19 L31 I33 F40 R48 L49 L51 I55 L74L17-F38 HydrophobicContact CD2-CD1 3.8Å; L17-F38 HydrophobicContact CD2-CE1 3.17Å; L17-F38 HydrophobicContact CD2-CE2 4.19Å; L17-F38 HydrophobicContact CD2-CZ 3.4Å; L17-F38 VanDerWaalsContact CD2-CZ 3.4Å; I19-F38 HydrophobicContact CD1-CE1 4.43Å; L31-F38 HydrophobicContact CD2-CE2 3.94Å; L31-F38 HydrophobicContact CD2-CZ 3.77Å; I33-F38 HydrophobicContact CG1-CD2 3.89Å; I33-F38 HydrophobicContact CG1-CE2 4.19Å; F38-F40 HydrophobicContact CE1-CB 3.55Å; F38-F40 HydrophobicContact CZ-CB 3.74Å; F38-R48 CarbonylContact O-C 3.47Å; F38-R48 VanDerWaalsContact O-CA 3.3Å; F38-R48 WeakPolarHBondContact O-CA 3.37Å; F38-L49 HydrophobicContact CB-CB 4.29Å; F38-L49 HydrophobicContact CD1-CB 4.38Å; F38-L49 HydrophobicContact CD1-CD1 4.07Å; F38-L49 HydrophobicContact CD1-CG 4.26Å; F38-L49 PolarHBondContact N-O 3.21Å; F38-L49 PolarHBondContact O-N 2.8Å; F38-L51 HydrophobicContact CB-CD1 4.27Å; F38-I55 HydrophobicContact CB-CD1 4.31Å; F38-I55 HydrophobicContact CD2-CD1 4.3Å; F38-L74 HydrophobicContact CE2-CD2 3.47Å; F38-L74 VanDerWaalsContact CE2-CD2 3.47Å; F38-L74 HydrophobicContact CZ-CD2 3.77Å
39K87.4Confident82.1Confident66 Ų6641.4 Ų41.429%0.28720%0.199SC..EExtended strand (participates in β ladder)trans-122.2136171.1-58.7163.5-179.41240110.1Y32 D37 F46 L47 R48Y32-K39 HydrophobicContact CD1-CD 4.15Å; Y32-K39 PolarHBondContact N-O 2.99Å; Y32-K39 PolarHBondContact O-N 3.08Å; D37-K39 IonicContact OD1-NZ 2.69Å; D37-K39 WeakPolarHBondContact OD2-CE 3.27Å; D37-K39 IonicContact OD2-NZ 3.28Å; D37-K39 PolarHBondContact OD2-NZ 3.27Å; K39-F46 HydrophobicContact CB-CE2 4.34Å; K39-L47 WeakPolarHBondContact CA-O 3.15Å; K39-R48 HydrophobicContact CG-CB 4.29Å; K39-R48 HydrophobicContact CG-CG 3.92Å
40F87.1Confident82.3Confident0 Ų040.9 Ų40.90%020%0.199CC..EExtended strand (participates in β ladder)trans-126.2126.4173.9164-91.1000108.4I19 V21 F29 L31 F38 A42 F46 L47 F72I19-F40 HydrophobicContact CD1-CB 4Å; I19-F40 HydrophobicContact CD1-CD1 3.67Å; I19-F40 HydrophobicContact CD1-CD2 3.75Å; I19-F40 HydrophobicContact CD1-CE1 3.98Å; I19-F40 HydrophobicContact CD1-CE2 4.05Å; I19-F40 HydrophobicContact CD1-CG 3.53Å; I19-F40 HydrophobicContact CD1-CZ 4.14Å; I19-F40 HydrophobicContact CG2-CD1 4.4Å; I19-F40 HydrophobicContact CG2-CE1 4.05Å; V21-F40 HydrophobicContact CG1-CE1 3.73Å; V21-F40 HydrophobicContact CG1-CZ 3.93Å; V21-F40 HydrophobicContact CG2-CZ 4.32Å; F29-F40 HydrophobicContact CD1-CE2 4.38Å; F29-F40 HydrophobicContact CD1-CZ 4.42Å; L31-F40 HydrophobicContact CD2-CB 4.36Å; L31-F40 HydrophobicContact CD2-CD2 3.8Å; F38-F40 HydrophobicContact CE1-CB 3.55Å; F38-F40 HydrophobicContact CZ-CB 3.74Å; F40-A42 HydrophobicContact CD1-CB 4.37Å; F40-A42 HydrophobicContact CE1-CB 3.47Å; F40-A42 VanDerWaalsContact CE1-CB 3.47Å; F40-A42 HydrophobicContact CE2-CB 4.02Å; F40-A42 HydrophobicContact CZ-CB 3.26Å; F40-F46 WeakPolarHBondContact O-CA 3.39Å; F40-F46 WeakPolarHBondContact O-CD2 3.43Å; F40-L47 HydrophobicContact CB-CB 4.35Å; F40-L47 HydrophobicContact CD1-CB 4.21Å; F40-L47 PolarHBondContact N-O 2.77Å; F40-L47 PolarHBondContact O-N 2.94Å; F40-F72 HydrophobicContact CD2-CD1 4.29Å; F40-F72 AromaticContact CD2-CE1 3.95Å; F40-F72 HydrophobicContact CD2-CE1 3.95Å; F40-F72 HydrophobicContact CD2-CZ 4.45Å; F40-F72 AromaticContact CE2-CD1 3.71Å; F40-F72 HydrophobicContact CE2-CD1 3.71Å; F40-F72 HydrophobicContact CE2-CD2 4.41Å; F40-F72 AromaticContact CE2-CE1 3.67Å; F40-F72 HydrophobicContact CE2-CE1 3.67Å; F40-F72 HydrophobicContact CE2-CE2 4.39Å; F40-F72 HydrophobicContact CE2-CG 4.09Å; F40-F72 HydrophobicContact CE2-CZ 4.03Å; F40-F72 HydrophobicContact CZ-CD1 4.31Å; F40-F72 HydrophobicContact CZ-CG 4.44Å
41Y83.7Confident82.3Confident89 Ų8936.1 Ų36.135%0.34917%0.174SC..EExtended strand (participates in β ladder)trans-122.6126.1175.3178.2-100.2000109.1M1 D30 K43 F46M1-Y41 HydrophobicContact SD-CE2 4.38Å; D30-Y41 HydrophobicContact CB-CD1 4.42Å; D30-Y41 PolarHBondContact N-O 2.78Å; D30-Y41 PolarHBondContact O-N 2.79Å; Y41-K43 HydrophobicContact CE1-CB 4.34Å; Y41-F46 HydrophobicContact CD2-CB 4.36Å; Y41-F46 HydrophobicContact CD2-CD2 4.09Å
42A80.5Confident82.1Confident1 Ų136.9 Ų36.91%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-152.784.2-17800000107.4F29 F40 Y45F29-A42 HydrophobicContact CD1-CB 3.5Å; F29-A42 VanDerWaalsContact CD1-CB 3.5Å; F29-A42 HydrophobicContact CE1-CB 3.76Å; F40-A42 HydrophobicContact CD1-CB 4.37Å; F40-A42 HydrophobicContact CE1-CB 3.47Å; F40-A42 VanDerWaalsContact CE1-CB 3.47Å; F40-A42 HydrophobicContact CE2-CB 4.02Å; F40-A42 HydrophobicContact CZ-CB 3.26Å; A42-Y45 CarbonylContact C-O 3.56Å; A42-Y45 PolarHBondContact N-O 3.16Å; A42-Y45 WeakPolarHBondContact O-CA 3.4Å; A42-Y45 VanDerWaalsContact O-CB 3.31Å; A42-Y45 WeakPolarHBondContact O-CB 3.5Å; A42-Y45 WeakPolarHBondContact O-CD2 3.18Å; A42-Y45 PolarHBondContact O-N 2.94Å
43K69.3Low82.1Confident76 Ų7631.7 Ų31.733%0.3316%0.164SC..THydrogen-bonded Turntrans-41.2125.5-170.6173.2176.5170-157.40112.4Y41 E167 E367Y41-K43 HydrophobicContact CE1-CB 4.34Å; K43-E167 VanDerWaalsContact CE-OE1 3.31Å; K43-E167 WeakPolarHBondContact CE-OE1 3.12Å; K43-E167 WeakPolarHBondContact CG-OE1 3.47Å; K43-E367 IonicContact NZ-OE2 3.92Å; K43-E367 PolarHBondContact NZ-OE2 2.74Å
44P68.9Low82.1Confident9 Ų935.7 Ų35.76%0.05818%0.18CC..THydrogen-bonded Turncis-905.14.532.5-30.6000115.3M1 I2 L164 E167M1-P44 CarbonylContact C-O 3.59Å; M1-P44 VanDerWaalsContact CA-O 3.29Å; M1-P44 WeakPolarHBondContact CA-O 2.94Å; I2-P44 HydrophobicContact CD1-CB 4.27Å; I2-P44 HydrophobicContact CD1-CG 3.82Å; I2-P44 PolarHBondContact N-O 3.38Å; P44-L164 HydrophobicContact CG-CD2 3.34Å; P44-E167 HydrophobicContact CB-CG 4.08Å; P44-E167 WeakPolarHBondContact CB-OE1 3.45Å; P44-E167 WeakPolarHBondContact CD-OE1 3.39Å; P44-E167 VanDerWaalsContact CD-OE2 3.32Å; P44-E167 WeakPolarHBondContact CD-OE2 3.33Å; P44-E167 HydrophobicContact CG-CG 4.3Å; P44-E167 WeakPolarHBondContact CG-OE2 2.9Å
45Y80.2Confident82.3Confident5 Ų531.6 Ų31.62%0.0216%0.158CC..EExtended strand (participates in β ladder)trans-78.9139.4-177.2-54-87.1000111.9I2 P4 V21 P22 T24 A42 R163I2-Y45 HydrophobicContact CB-CD1 4.07Å; I2-Y45 HydrophobicContact CD1-CE1 4.42Å; I2-Y45 HydrophobicContact CG2-CD1 4.23Å; I2-Y45 HydrophobicContact CG2-CE1 4.4Å; I2-Y45 CarbonylContact O-C 3.44Å; I2-Y45 VanDerWaalsContact O-CA 3.22Å; I2-Y45 WeakPolarHBondContact O-CA 3.13Å; P4-Y45 HydrophobicContact CB-CD1 3.72Å; P4-Y45 HydrophobicContact CB-CE1 4.4Å; P4-Y45 HydrophobicContact CB-CG 4.25Å; P4-Y45 HydrophobicContact CG-CD1 4.49Å; V21-Y45 HydrophobicContact CB-CD2 3.93Å; V21-Y45 HydrophobicContact CB-CE2 4.02Å; V21-Y45 HydrophobicContact CB-CG 4.41Å; V21-Y45 HydrophobicContact CG1-CD1 4.26Å; V21-Y45 HydrophobicContact CG1-CD2 3.73Å; V21-Y45 HydrophobicContact CG1-CE2 4.22Å; V21-Y45 HydrophobicContact CG1-CG 3.73Å; P22-Y45 PolarHBondContact O-OH 2.64Å; T24-Y45 HydrophobicContact CG2-CD2 3.45Å; T24-Y45 VanDerWaalsContact CG2-CD2 3.45Å; T24-Y45 HydrophobicContact CG2-CE2 3.39Å; A42-Y45 CarbonylContact C-O 3.56Å; A42-Y45 PolarHBondContact N-O 3.16Å; A42-Y45 WeakPolarHBondContact O-CA 3.4Å; A42-Y45 VanDerWaalsContact O-CB 3.31Å; A42-Y45 WeakPolarHBondContact O-CB 3.5Å; A42-Y45 WeakPolarHBondContact O-CD2 3.18Å; A42-Y45 PolarHBondContact O-N 2.94Å; Y45-R163 VanDerWaalsContact OH-CZ 3.31Å; Y45-R163 PolarHBondContact OH-NE 2.99Å; Y45-R163 PolarHBondContact OH-NH2 2.83Å
46F84Confident82.4Confident61 Ų6132.5 Ų32.527%0.26816%0.159SC..EExtended strand (participates in β ladder)trans-138.9127.4170.8178.4-116.5000108.6M1 I2 T3 K39 F40 Y41 R48 Q134M1-F46 HydrophobicContact CB-CB 4.49Å; M1-F46 HydrophobicContact SD-CB 4.06Å; M1-F46 HydrophobicContact SD-CG 4.41Å; I2-F46 PolarHBondContact O-N 2.87Å; T3-F46 WeakPolarHBondContact CA-O 3.35Å; K39-F46 HydrophobicContact CB-CE2 4.34Å; F40-F46 WeakPolarHBondContact O-CA 3.39Å; F40-F46 WeakPolarHBondContact O-CD2 3.43Å; Y41-F46 HydrophobicContact CD2-CB 4.36Å; Y41-F46 HydrophobicContact CD2-CD2 4.09Å; F46-R48 HydrophobicContact CZ-CB 4.49Å; F46-Q134 VanDerWaalsContact CD1-NE2 3.3Å; F46-Q134 VanDerWaalsContact CE1-NE2 3.27Å
47L84.9Confident82.2Confident0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-127133178.2-176.165.2000108.7T3 P4 F6 I19 K39 F40 L49 L95T3-L47 HydrophobicContact CG2-CD1 3.66Å; P4-L47 HydrophobicContact CG-CB 3.91Å; P4-L47 HydrophobicContact CG-CD1 4.49Å; P4-L47 HydrophobicContact CG-CD2 4.36Å; P4-L47 HydrophobicContact CG-CG 4.49Å; F6-L47 HydrophobicContact CB-CD2 3.92Å; F6-L47 HydrophobicContact CD1-CD1 3.58Å; F6-L47 HydrophobicContact CD1-CD2 4.11Å; F6-L47 HydrophobicContact CD2-CD2 4.28Å; F6-L47 HydrophobicContact CE1-CD1 3.69Å; F6-L47 HydrophobicContact CG-CD1 4.15Å; F6-L47 HydrophobicContact CG-CD2 3.84Å; F6-L47 HydrophobicContact CZ-CD1 4.33Å; I19-L47 HydrophobicContact CD1-CD2 3.96Å; I19-L47 HydrophobicContact CG1-CD2 4.22Å; I19-L47 HydrophobicContact CG2-CD2 4.33Å; K39-L47 WeakPolarHBondContact CA-O 3.15Å; F40-L47 HydrophobicContact CB-CB 4.35Å; F40-L47 HydrophobicContact CD1-CB 4.21Å; F40-L47 PolarHBondContact N-O 2.77Å; F40-L47 PolarHBondContact O-N 2.94Å; L47-L49 HydrophobicContact CD1-CD2 4.04Å; L47-L49 HydrophobicContact CD1-CG 4.48Å; L47-L49 HydrophobicContact CD2-CD1 4.11Å; L47-L49 HydrophobicContact CD2-CD2 4.45Å; L47-L49 HydrophobicContact CD2-CG 4.23Å; L47-L49 HydrophobicContact CG-CD2 4.21Å; L47-L49 HydrophobicContact CG-CG 4.11Å; L47-L95 HydrophobicContact CD1-CD2 3.8Å
48R85.1Confident81.9Confident27 Ų2737.8 Ų37.810%0.10218%0.184CC..EExtended strand (participates in β ladder)trans-125132168-178.4-172.568.9-170.78.7109.5F38 K39 F46 Q131 Q134F38-R48 CarbonylContact O-C 3.47Å; F38-R48 VanDerWaalsContact O-CA 3.3Å; F38-R48 WeakPolarHBondContact O-CA 3.37Å; K39-R48 HydrophobicContact CG-CB 4.29Å; K39-R48 HydrophobicContact CG-CG 3.92Å; F46-R48 HydrophobicContact CZ-CB 4.49Å; R48-Q131 VanDerWaalsContact CZ-OE1 3.22Å; R48-Q131 VanDerWaalsContact NH1-CD 3.27Å; R48-Q131 VanDerWaalsContact NH2-OE1 3.12Å; R48-Q134 PolarHBondContact O-OE1 3.44Å
49L83.4Confident81.1Confident1 Ų140.8 Ų40.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-125.3121.1176.4-55.4174.6000110F6 L8 L17 F38 L47 L51 L94 L95F6-L49 HydrophobicContact CD2-CD1 4.14Å; F6-L49 HydrophobicContact CD2-CD2 4.08Å; F6-L49 HydrophobicContact CE1-CD2 4.25Å; F6-L49 HydrophobicContact CE2-CD1 4.08Å; F6-L49 HydrophobicContact CE2-CD2 3.35Å; F6-L49 HydrophobicContact CE2-CG 4.37Å; F6-L49 HydrophobicContact CZ-CD2 3.46Å; F6-L49 VanDerWaalsContact CZ-CD2 3.46Å; L8-L49 HydrophobicContact CD1-CD1 4.09Å; L8-L49 HydrophobicContact CD2-CD1 4.31Å; L17-L49 HydrophobicContact CD1-CD1 3.72Å; L17-L49 HydrophobicContact CD2-CD1 4.1Å; F38-L49 HydrophobicContact CB-CB 4.29Å; F38-L49 HydrophobicContact CD1-CB 4.38Å; F38-L49 HydrophobicContact CD1-CD1 4.07Å; F38-L49 HydrophobicContact CD1-CG 4.26Å; F38-L49 PolarHBondContact N-O 3.21Å; F38-L49 PolarHBondContact O-N 2.8Å; L47-L49 HydrophobicContact CD1-CD2 4.04Å; L47-L49 HydrophobicContact CD1-CG 4.48Å; L47-L49 HydrophobicContact CD2-CD1 4.11Å; L47-L49 HydrophobicContact CD2-CD2 4.45Å; L47-L49 HydrophobicContact CD2-CG 4.23Å; L47-L49 HydrophobicContact CG-CD2 4.21Å; L47-L49 HydrophobicContact CG-CG 4.11Å; L49-L51 HydrophobicContact CB-CD2 4.2Å; L49-L94 CarbonylContact C-O 3.59Å; L49-L94 WeakPolarHBondContact CA-O 3.07Å; L49-L94 HydrophobicContact CD2-CB 4.05Å; L49-L95 HydrophobicContact CD2-CD2 4.1Å; L49-L95 HydrophobicContact CD2-CG 4.42Å
50T83Confident80.7Confident26 Ų2643.8 Ų43.816%0.1623%0.226CC..EExtended strand (participates in β ladder)trans-79.7108158.6-47.70000107.8D36 L94 A96 K98D36-T50 CarbonylContact O-C 3.52Å; D36-T50 WeakPolarHBondContact O-CA 3.29Å; T50-L94 PolarHBondContact N-O 3.08Å; T50-L94 WeakPolarHBondContact O-CD2 3.41Å; T50-A96 PolarHBondContact OG1-O 2.83Å; T50-K98 HydrophobicContact CG2-CD 4.3Å; T50-K98 HydrophobicContact CG2-CG 3.72Å
51L83.9Confident80.4Confident8 Ų845.3 Ų45.34%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-84.2150.4180-62.9174.2000111.3L8 L15 D36 F38 L49 G53 I55L8-L51 HydrophobicContact CD2-CD2 3.65Å; L15-L51 HydrophobicContact CD2-CD1 3.67Å; L15-L51 HydrophobicContact CD2-CD2 3.95Å; L15-L51 HydrophobicContact CD2-CG 4.46Å; D36-L51 PolarHBondContact O-N 2.94Å; F38-L51 HydrophobicContact CB-CD1 4.27Å; L49-L51 HydrophobicContact CB-CD2 4.2Å; L51-G53 VanDerWaalsContact C-N 3.26Å; L51-G53 WeakPolarHBondContact CB-O 3.3Å; L51-G53 PolarHBondContact O-N 2.75Å; L51-I55 HydrophobicContact CD1-CD1 3.44Å; L51-I55 VanDerWaalsContact CD1-CD1 3.44Å; L51-I55 HydrophobicContact CD1-CG1 3.79Å; L51-I55 HydrophobicContact CD1-CG2 4.09Å
52P81.1Confident80.3Confident74 Ų7447 Ų4748%0.48124%0.242SC..EExtended strand (participates in β ladder)trans-76.2-12.9179.833-38.8000113.6F85 E86 L88P52-F85 HydrophobicContact CG-CB 3.83Å; P52-F85 HydrophobicContact CG-CD2 4.22Å; P52-F85 HydrophobicContact CG-CG 4.19Å; P52-E86 WeakPolarHBondContact CG-O 3.31Å; P52-L88 HydrophobicContact CG-CD2 4.41Å
53G82.2Confident80.5Confident6 Ų648.4 Ų48.46%0.06225%0.254CS..EExtended strand (participates in β ladder)trans-146.8167.1-179.600000110.3L51 F85L51-G53 VanDerWaalsContact C-N 3.26Å; L51-G53 WeakPolarHBondContact CB-O 3.3Å; L51-G53 PolarHBondContact O-N 2.75Å; G53-F85 WeakPolarHBondContact O-CE2 3.39Å
54K84.1Confident81.2Confident106 Ų10647.1 Ų47.146%0.46125%0.252SS..EExtended strand (participates in β ladder)trans-90.1134.5-168.3-65.4-178.3176.9-173.10114G35 E79G35-K54 CarbonylContact O-C 3.55Å; G35-K54 WeakPolarHBondContact O-CA 3.44Å; K54-E79 HydrophobicContact CB-CB 4.09Å; K54-E79 WeakPolarHBondContact CB-OE2 3.46Å; K54-E79 WeakPolarHBondContact CD-OE2 3.46Å; K54-E79 PolarHBondContact O-N 2.58Å
55I85.8Confident81.9Confident4 Ų448.3 Ų48.32%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-109.6157.517252.3165.5000110.2L15 I33 G35 F38 L51 V76 F85L15-I55 HydrophobicContact CB-CG2 4.33Å; L15-I55 HydrophobicContact CD2-CG2 4.02Å; I33-I55 HydrophobicContact CB-CD1 4.5Å; I33-I55 HydrophobicContact CG1-CD1 4.26Å; I33-I55 HydrophobicContact CG2-CD1 3.68Å; I33-I55 HydrophobicContact CG2-CG1 3.84Å; G35-I55 WeakPolarHBondContact O-CG1 3.46Å; G35-I55 PolarHBondContact O-N 2.91Å; F38-I55 HydrophobicContact CB-CD1 4.31Å; F38-I55 HydrophobicContact CD2-CD1 4.3Å; L51-I55 HydrophobicContact CD1-CD1 3.44Å; L51-I55 VanDerWaalsContact CD1-CD1 3.44Å; L51-I55 HydrophobicContact CD1-CG1 3.79Å; L51-I55 HydrophobicContact CD1-CG2 4.09Å; I55-V76 HydrophobicContact CB-CG1 3.86Å; I55-V76 HydrophobicContact CD1-CG1 4.07Å; I55-V76 HydrophobicContact CG1-CG1 4.48Å; I55-V76 HydrophobicContact CG2-CG1 4.31Å; I55-F85 HydrophobicContact CG2-CE2 4.06Å; I55-F85 HydrophobicContact CG2-CZ 4.3Å
56V84.4Confident81.9Confident42 Ų4250.3 Ų50.326%0.25527%0.268SS..  trans-134.8145.3-176.263.70000110.7D58 P77V56-D58 HydrophobicContact CG1-CB 4.15Å; V56-P77 HydrophobicContact CG1-CB 4.46Å; V56-P77 HydrophobicContact CG1-CG 4.12Å; V56-P77 PolarHBondContact N-O 3.22Å; V56-P77 VanDerWaalsContact N-O 3.12Å; V56-P77 WeakPolarHBondContact O-CD 3.43Å; V56-P77 VanDerWaalsContact O-CG 3.27Å; V56-P77 WeakPolarHBondContact O-CG 3.44Å
57E78.2Confident81.3Confident105 Ų10553.1 Ų53.149%0.49128%0.284SS..  trans-95.2105172-168.3-177.8-172.300108.3
58D75.6Confident80.4Confident84 Ų8459.2 Ų59.245%0.44932%0.317SS..  trans-126.97.2-158.9-125.325.8000112.2V56 R60 E61 P77V56-D58 HydrophobicContact CG1-CB 4.15Å; D58-R60 PolarHBondContact O-N 2.89Å; D58-R60 IonicContact OD2-CZ 3.81Å; D58-R60 IonicContact OD2-NE 2.72Å; D58-R60 PolarHBondContact OD2-NE 2.78Å; D58-R60 IonicContact OD2-NH2 2.81Å; D58-R60 PolarHBondContact OD2-NH2 3.42Å; D58-E61 PolarHBondContact N-OE2 2.94Å; D58-P77 HydrophobicContact CB-CG 3.99Å
59G71.3Confident79.9Confident67 Ų6764.8 Ų64.869%0.69134%0.342SS*.SBendtrans73.19.1-170.400000113.7E61G59-E61 WeakPolarHBondContact CA-OE1 3.31Å; G59-E61 PolarHBondContact N-OE1 3.32Å; G59-E61 VanDerWaalsContact N-OE1 3.16Å; G59-E61 PolarHBondContact N-OE2 2.8Å
60R76.9Confident79.6Confident129 Ų12964.9 Ų64.949%0.48734%0.343SS..  trans-110.4-7.8-177.5-63.6-174.8-71.8147.2-2.3112.5F14 D58 P77F14-R60 HydrophobicContact CE1-CB 4.48Å; D58-R60 PolarHBondContact O-N 2.89Å; D58-R60 IonicContact OD2-CZ 3.81Å; D58-R60 IonicContact OD2-NE 2.72Å; D58-R60 PolarHBondContact OD2-NE 2.78Å; D58-R60 IonicContact OD2-NH2 2.81Å; D58-R60 PolarHBondContact OD2-NH2 3.42Å; R60-P77 HydrophobicContact CB-CG 4.29Å
61E81.9Confident79.7Confident32 Ų3266.1 Ų66.115%0.1535%0.348CS..  trans-63.4143.817458-68.6153.600112.1D58 G59 H75D58-E61 PolarHBondContact N-OE2 2.94Å; G59-E61 WeakPolarHBondContact CA-OE1 3.31Å; G59-E61 PolarHBondContact N-OE1 3.32Å; G59-E61 VanDerWaalsContact N-OE1 3.16Å; G59-E61 PolarHBondContact N-OE2 2.8Å; E61-H75 CarbonylContact C-O 3.46Å; E61-H75 WeakPolarHBondContact CA-O 3.41Å; E61-H75 WeakPolarHBondContact CB-O 3.41Å
62K82.6Confident79.8Confident123 Ų12366 Ų6654%0.53535%0.347SS..EExtended strand (participates in β ladder)trans-138.8109.2-177.7-167179.4-179-175.30111H75K62-H75 HydrophobicContact CB-CB 4.31Å; K62-H75 PolarHBondContact N-O 2.99Å; K62-H75 PolarHBondContact O-N 3.29Å; K62-H75 PolarHBondContact O-ND1 3.4Å; K62-H75 VanDerWaalsContact O-ND1 3.12Å
63A84.6Confident80.1Confident32 Ų3263.7 Ų63.726%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-94134.9172.100000110.8F72 T73 L74A63-F72 HydrophobicContact CB-CE2 4.08Å; A63-F72 HydrophobicContact CB-CZ 3.91Å; A63-T73 CarbonylContact C-O 3.43Å; A63-T73 WeakPolarHBondContact CA-O 3.46Å; A63-L74 HydrophobicContact CB-CD1 3.85Å
64T83.4Confident80.4Confident49 Ų4963.5 Ų63.530%0.30133%0.329SS..EExtended strand (participates in β ladder)trans-134.4130.2172.751.20000109.2T73T64-T73 PolarHBondContact N-O 3.2Å; T64-T73 PolarHBondContact O-N 3.15Å; T64-T73 PolarHBondContact OG1-O 3.39Å
65F82.8Confident80.5Confident33 Ų3361 Ų6115%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-115.9115179.3-177.7-126.3000110.9V21 T24 T26 F29 I67 F72V21-F65 HydrophobicContact CG2-CE2 3.84Å; T24-F65 WeakPolarHBondContact OG1-CZ 3.19Å; T26-F65 HydrophobicContact CG2-CD1 4.03Å; T26-F65 WeakPolarHBondContact OG1-CD1 3.36Å; F29-F65 HydrophobicContact CE2-CB 4.17Å; F29-F65 AromaticContact CE2-CD1 3.97Å; F29-F65 HydrophobicContact CE2-CD1 3.97Å; F29-F65 HydrophobicContact CE2-CD2 4.29Å; F29-F65 HydrophobicContact CE2-CE1 4.42Å; F29-F65 AromaticContact CE2-CG 3.88Å; F29-F65 HydrophobicContact CE2-CG 3.88Å; F29-F65 AromaticContact CZ-CD1 3.98Å; F29-F65 HydrophobicContact CZ-CD1 3.98Å; F29-F65 HydrophobicContact CZ-CD2 4.01Å; F29-F65 HydrophobicContact CZ-CE1 4Å; F29-F65 HydrophobicContact CZ-CE2 4.06Å; F29-F65 AromaticContact CZ-CG 3.98Å; F29-F65 HydrophobicContact CZ-CG 3.98Å; F29-F65 HydrophobicContact CZ-CZ 4.05Å; F65-I67 HydrophobicContact CD1-CG1 3.68Å; F65-I67 HydrophobicContact CE1-CB 4.38Å; F65-I67 HydrophobicContact CE1-CG1 3.68Å; F65-I67 PolarHBondContact O-N 3.49Å; F65-F72 HydrophobicContact CB-CD2 4.25Å; F65-F72 HydrophobicContact CD2-CB 3.96Å; F65-F72 HydrophobicContact CD2-CD2 4.28Å
66D81.1Confident80.7Confident48 Ų4861 Ų6126%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-86.9101.3171.2-175.7-29.4000108.4D68 K69 G70 L71D66-D68 VanDerWaalsContact C-N 3.33Å; D66-D68 PolarHBondContact OD1-N 2.81Å; D66-D68 VanDerWaalsContact OD1-N 3.14Å; D66-K69 HydrophobicContact CB-CB 4.39Å; D66-K69 PolarHBondContact OD1-N 2.85Å; D66-K69 WeakPolarHBondContact OD2-CD 3.5Å; D66-K69 WeakPolarHBondContact OD2-CG 3.45Å; D66-K69 IonicContact OD2-NZ 2.88Å; D66-K69 PolarHBondContact OD2-NZ 3.19Å; D66-G70 WeakPolarHBondContact O-CA 3.45Å; D66-G70 PolarHBondContact O-N 2.82Å; D66-L71 HydrophobicContact CB-CB 4.26Å; D66-L71 PolarHBondContact N-O 3.41Å; D66-L71 PolarHBondContact O-N 3.39Å
67I70.3Confident80.8Confident120 Ų12059 Ų5962%0.61531%0.307SS*.THydrogen-bonded Turntrans-64.2-39-178.1-60.2168.1000110.7F65 K69 G70F65-I67 HydrophobicContact CD1-CG1 3.68Å; F65-I67 HydrophobicContact CE1-CB 4.38Å; F65-I67 HydrophobicContact CE1-CG1 3.68Å; F65-I67 PolarHBondContact O-N 3.49Å; I67-K69 PolarHBondContact O-N 2.87Å; I67-G70 PolarHBondContact O-N 3.18Å
68D67.5Low81.2Confident127 Ų12754.3 Ų54.368%0.67929%0.285SS*.THydrogen-bonded Turntrans-69.4-35.2-175.3-68.1-32.8000111.9D66D66-D68 VanDerWaalsContact C-N 3.33Å; D66-D68 PolarHBondContact OD1-N 2.81Å; D66-D68 VanDerWaalsContact OD1-N 3.14Å
69K73.6Confident81.6Confident145 Ų14555.7 Ų55.763%0.6329%0.289SS*.THydrogen-bonded Turntrans-91.7-13.6175-58.5-169.5-16596.70113.6D66 I67 L71D66-K69 HydrophobicContact CB-CB 4.39Å; D66-K69 PolarHBondContact OD1-N 2.85Å; D66-K69 WeakPolarHBondContact OD2-CD 3.5Å; D66-K69 WeakPolarHBondContact OD2-CG 3.45Å; D66-K69 IonicContact OD2-NZ 2.88Å; D66-K69 PolarHBondContact OD2-NZ 3.19Å; I67-K69 PolarHBondContact O-N 2.87Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 HydrophobicContact CB-CB 4.11Å
70G78Confident82.1Confident3 Ų355.2 Ų55.23%0.03127%0.273CS..THydrogen-bonded Turntrans62.639.4-170.500000112.2R20 V21 D66 I67R20-G70 CarbonylContact C-O 3.34Å; R20-G70 WeakPolarHBondContact CA-O 3.38Å; V21-G70 CarbonylContact C-O 3.51Å; V21-G70 PolarHBondContact N-O 2.69Å; D66-G70 WeakPolarHBondContact O-CA 3.45Å; D66-G70 PolarHBondContact O-N 2.82Å; I67-G70 PolarHBondContact O-N 3.18Å
71L84.2Confident82.1Confident52 Ų5253.1 Ų53.127%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-116.3115.9-171.5-154.189.4000110.4T18 R20 D66 K69T18-L71 HydrophobicContact CG2-CD1 3.8Å; T18-L71 HydrophobicContact CG2-CD2 3.62Å; T18-L71 HydrophobicContact CG2-CG 3.66Å; R20-L71 HydrophobicContact CB-CD1 4.39Å; D66-L71 HydrophobicContact CB-CB 4.26Å; D66-L71 PolarHBondContact N-O 3.41Å; D66-L71 PolarHBondContact O-N 3.39Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 HydrophobicContact CB-CB 4.11Å
72F86Confident81.8Confident5 Ų554.4 Ų54.42%0.02231%0.305CS..EExtended strand (participates in β ladder)trans-99.4116.4175.1-179.4-94.3000109.2T18 I19 V21 F29 L31 F40 A63 F65 L74T18-F72 CarbonylContact C-O 3.57Å; T18-F72 WeakPolarHBondContact CA-O 3.22Å; I19-F72 HydrophobicContact CB-CB 4.4Å; I19-F72 HydrophobicContact CB-CD1 4.44Å; I19-F72 HydrophobicContact CD1-CD1 4Å; I19-F72 HydrophobicContact CD1-CE1 4.43Å; I19-F72 HydrophobicContact CG1-CD1 4.26Å; I19-F72 PolarHBondContact N-O 3.4Å; I19-F72 PolarHBondContact O-N 2.94Å; V21-F72 HydrophobicContact CG2-CB 3.9Å; F29-F72 HydrophobicContact CD2-CD2 4.18Å; F29-F72 AromaticContact CD2-CE2 3.91Å; F29-F72 HydrophobicContact CD2-CE2 3.91Å; F29-F72 AromaticContact CE2-CD2 3.93Å; F29-F72 HydrophobicContact CE2-CD2 3.93Å; F29-F72 HydrophobicContact CE2-CE2 4.13Å; F29-F72 HydrophobicContact CG-CE2 4.37Å; F29-F72 HydrophobicContact CZ-CD2 4.28Å; L31-F72 HydrophobicContact CD1-CZ 4.3Å; L31-F72 HydrophobicContact CD2-CE1 4.36Å; L31-F72 HydrophobicContact CD2-CZ 4.4Å; F40-F72 HydrophobicContact CD2-CD1 4.29Å; F40-F72 AromaticContact CD2-CE1 3.95Å; F40-F72 HydrophobicContact CD2-CE1 3.95Å; F40-F72 HydrophobicContact CD2-CZ 4.45Å; F40-F72 AromaticContact CE2-CD1 3.71Å; F40-F72 HydrophobicContact CE2-CD1 3.71Å; F40-F72 HydrophobicContact CE2-CD2 4.41Å; F40-F72 AromaticContact CE2-CE1 3.67Å; F40-F72 HydrophobicContact CE2-CE1 3.67Å; F40-F72 HydrophobicContact CE2-CE2 4.39Å; F40-F72 HydrophobicContact CE2-CG 4.09Å; F40-F72 HydrophobicContact CE2-CZ 4.03Å; F40-F72 HydrophobicContact CZ-CD1 4.31Å; F40-F72 HydrophobicContact CZ-CG 4.44Å; A63-F72 HydrophobicContact CB-CE2 4.08Å; A63-F72 HydrophobicContact CB-CZ 3.91Å; F65-F72 HydrophobicContact CB-CD2 4.25Å; F65-F72 HydrophobicContact CD2-CB 3.96Å; F65-F72 HydrophobicContact CD2-CD2 4.28Å; F72-L74 HydrophobicContact CD1-CB 4.47Å; F72-L74 HydrophobicContact CE1-CB 3.82Å; F72-L74 HydrophobicContact CZ-CB 4.5Å
73T87.5Confident81.8Confident25 Ų2552.4 Ų52.415%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-113.3121.9178.4-52.90000109.7I16 L17 A63 T64I16-T73 HydrophobicContact CG2-CG2 3.81Å; L17-T73 CarbonylContact O-C 3.53Å; L17-T73 WeakPolarHBondContact O-CA 3.42Å; A63-T73 CarbonylContact C-O 3.43Å; A63-T73 WeakPolarHBondContact CA-O 3.46Å; T64-T73 PolarHBondContact N-O 3.2Å; T64-T73 PolarHBondContact O-N 3.15Å; T64-T73 PolarHBondContact OG1-O 3.39Å
74L88.4Confident81.6Confident2 Ų257.1 Ų57.11%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-117.2124-179.5-179.870.4000110.1I16 L17 L31 F38 A63 F72 V76I16-L74 WeakPolarHBondContact CA-O 3.47Å; L17-L74 PolarHBondContact N-O 3.1Å; L17-L74 PolarHBondContact O-N 2.81Å; L31-L74 HydrophobicContact CD1-CD1 4.09Å; L31-L74 HydrophobicContact CD1-CD2 4.41Å; L31-L74 HydrophobicContact CD2-CD2 3.86Å; F38-L74 HydrophobicContact CE2-CD2 3.47Å; F38-L74 VanDerWaalsContact CE2-CD2 3.47Å; F38-L74 HydrophobicContact CZ-CD2 3.77Å; A63-L74 HydrophobicContact CB-CD1 3.85Å; F72-L74 HydrophobicContact CD1-CB 4.47Å; F72-L74 HydrophobicContact CE1-CB 3.82Å; F72-L74 HydrophobicContact CZ-CB 4.5Å; L74-V76 HydrophobicContact CD1-CG2 4.42Å; L74-V76 HydrophobicContact CD2-CG2 3.52Å; L74-V76 HydrophobicContact CG-CG2 3.6Å
75H87.4Confident81.6Confident55 Ų5555 Ų5526%0.25530%0.3SS..EExtended strand (participates in β ladder)trans-99.4116.8170.9-55.170.2000107.6L15 E61 K62L15-H75 WeakPolarHBondContact O-CA 3.44Å; E61-H75 CarbonylContact C-O 3.46Å; E61-H75 WeakPolarHBondContact CA-O 3.41Å; E61-H75 WeakPolarHBondContact CB-O 3.41Å; K62-H75 HydrophobicContact CB-CB 4.31Å; K62-H75 PolarHBondContact N-O 2.99Å; K62-H75 PolarHBondContact O-N 3.29Å; K62-H75 PolarHBondContact O-ND1 3.4Å; K62-H75 VanDerWaalsContact O-ND1 3.12Å
76V88Confident81.4Confident3 Ų360.9 Ų60.92%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-115.8131.1177.9-166.90000109.2F14 L15 I33 I55 L74F14-V76 CarbonylContact C-O 3.55Å; F14-V76 WeakPolarHBondContact CA-O 3.2Å; L15-V76 PolarHBondContact N-O 3.34Å; L15-V76 PolarHBondContact O-N 3.02Å; I33-V76 HydrophobicContact CD1-CG1 3.9Å; I33-V76 HydrophobicContact CD1-CG2 4.21Å; I55-V76 HydrophobicContact CB-CG1 3.86Å; I55-V76 HydrophobicContact CD1-CG1 4.07Å; I55-V76 HydrophobicContact CG1-CG1 4.48Å; I55-V76 HydrophobicContact CG2-CG1 4.31Å; L74-V76 HydrophobicContact CD1-CG2 4.42Å; L74-V76 HydrophobicContact CD2-CG2 3.52Å; L74-V76 HydrophobicContact CG-CG2 3.6Å
77P86.7Confident81.2Confident0 Ų060.6 Ų60.60%034%0.336CS..EExtended strand (participates in β ladder)trans-70.3144.5177.329-33.2000111.3F14 V56 D58 R60F14-P77 HydrophobicContact CD1-CB 4.04Å; F14-P77 HydrophobicContact CE1-CB 3.94Å; V56-P77 HydrophobicContact CG1-CB 4.46Å; V56-P77 HydrophobicContact CG1-CG 4.12Å; V56-P77 PolarHBondContact N-O 3.22Å; V56-P77 VanDerWaalsContact N-O 3.12Å; V56-P77 WeakPolarHBondContact O-CD 3.43Å; V56-P77 VanDerWaalsContact O-CG 3.27Å; V56-P77 WeakPolarHBondContact O-CG 3.44Å; D58-P77 HydrophobicContact CB-CG 3.99Å; R60-P77 HydrophobicContact CB-CG 4.29Å
78K87.5Confident81.5Confident6 Ų655.4 Ų55.43%0.02631%0.31CS..BIsolated β-bridgetrans-77.4144.6170.9-64174.2173.4172.90109.9D11 T13 T80 E83 F85D11-K78 PolarHBondContact O-NZ 3.34Å; T13-K78 PolarHBondContact O-N 3.21Å; K78-T80 PolarHBondContact O-N 3.11Å; K78-E83 PolarHBondContact NZ-O 2.87Å; K78-F85 HydrophobicContact CD-CD1 4.47Å; K78-F85 HydrophobicContact CD-CE1 4Å; K78-F85 HydrophobicContact CD-CZ 4.26Å; K78-F85 HydrophobicContact CG-CE1 4.13Å; K78-F85 HydrophobicContact CG-CZ 3.92Å
79E84.9Confident81.7Confident113 Ų11357.1 Ų57.153%0.52831%0.314SS..SBendtrans-60.9-40.1171.7-172.3-177.8177.600110.3K54K54-E79 HydrophobicContact CB-CB 4.09Å; K54-E79 WeakPolarHBondContact CB-OE2 3.46Å; K54-E79 WeakPolarHBondContact CD-OE2 3.46Å; K54-E79 PolarHBondContact O-N 2.58Å
80T80.6Confident81.9Confident58 Ų5855.8 Ų55.836%0.35631%0.312SS..SBendtrans-108.297.2-179.1400000111.3K78 G82 E83K78-T80 PolarHBondContact O-N 3.11Å; T80-G82 PolarHBondContact O-N 3.09Å; T80-E83 VanDerWaalsContact CB-OE2 3.31Å; T80-E83 WeakPolarHBondContact CB-OE2 3.29Å; T80-E83 WeakPolarHBondContact O-CB 3.37Å; T80-E83 PolarHBondContact O-N 2.8Å; T80-E83 VanDerWaalsContact O-N 3.08Å; T80-E83 WeakPolarHBondContact OG1-CB 3.07Å; T80-E83 VanDerWaalsContact OG1-CD 3.25Å; T80-E83 PolarHBondContact OG1-OE2 2.81Å
81A78.2Confident81.7Confident85 Ų8557.9 Ų57.970%0.70232%0.322SS*.THydrogen-bonded Turntrans-61.4124.7176.200000111.5
82G74.6Confident81.2Confident58 Ų5860.6 Ų60.660%0.59834%0.34SS*.THydrogen-bonded Turntrans94.9-6.7-175.400000114.9P12 T80P12-G82 WeakPolarHBondContact O-CA 3.22Å; P12-G82 PolarHBondContact O-N 3.38Å; T80-G82 PolarHBondContact O-N 3.09Å
83E81.7Confident80.4Confident82 Ų8264.2 Ų64.238%0.38337%0.366SS..  trans-70.8132.1174.1-168.317213300110.9K78 T80 F85K78-E83 PolarHBondContact NZ-O 2.87Å; T80-E83 VanDerWaalsContact CB-OE2 3.31Å; T80-E83 WeakPolarHBondContact CB-OE2 3.29Å; T80-E83 WeakPolarHBondContact O-CB 3.37Å; T80-E83 PolarHBondContact O-N 2.8Å; T80-E83 VanDerWaalsContact O-N 3.08Å; T80-E83 WeakPolarHBondContact OG1-CB 3.07Å; T80-E83 VanDerWaalsContact OG1-CD 3.25Å; T80-E83 PolarHBondContact OG1-OE2 2.81Å; E83-F85 HydrophobicContact CB-CE1 4.46Å; E83-F85 HydrophobicContact CG-CD1 4.33Å; E83-F85 HydrophobicContact CG-CE1 4.31Å
84H81.5Confident79.7Confident131 Ų13163.4 Ų63.461%0.60636%0.361SS*.  trans-101.2114.8178.4178.4-82.3000109.6Q10 E86Q10-H84 PolarHBondContact NE2-CD2 2.78Å; Q10-H84 PolarHBondContact NE2-CE1 2.78Å; Q10-H84 PolarHBondContact NE2-NE2 3.15Å; Q10-H84 VanDerWaalsContact NE2-NE2 3.2Å; H84-E86 PolarHBondContact O-N 3Å
85F83.4Confident79.1Confident4 Ų463.9 Ų63.92%0.01836%0.363CS..  trans-76.5114.8-179.3-71.914.8000108.6Q10 L15 P52 G53 I55 K78 E83 L88Q10-F85 PolarHBondContact NE2-O 2.88Å; L15-F85 HydrophobicContact CD1-CD2 4.09Å; L15-F85 HydrophobicContact CD2-CD2 4.42Å; L15-F85 HydrophobicContact CD2-CE2 4.24Å; P52-F85 HydrophobicContact CG-CB 3.83Å; P52-F85 HydrophobicContact CG-CD2 4.22Å; P52-F85 HydrophobicContact CG-CG 4.19Å; G53-F85 WeakPolarHBondContact O-CE2 3.39Å; I55-F85 HydrophobicContact CG2-CE2 4.06Å; I55-F85 HydrophobicContact CG2-CZ 4.3Å; K78-F85 HydrophobicContact CD-CD1 4.47Å; K78-F85 HydrophobicContact CD-CE1 4Å; K78-F85 HydrophobicContact CD-CZ 4.26Å; K78-F85 HydrophobicContact CG-CE1 4.13Å; K78-F85 HydrophobicContact CG-CZ 3.92Å; E83-F85 HydrophobicContact CB-CE1 4.46Å; E83-F85 HydrophobicContact CG-CD1 4.33Å; E83-F85 HydrophobicContact CG-CE1 4.31Å; F85-L88 HydrophobicContact CB-CD1 4.22Å; F85-L88 HydrophobicContact CB-CD2 3.91Å; F85-L88 HydrophobicContact CB-CG 4.07Å; F85-L88 HydrophobicContact CD2-CD2 4.38Å
86E78.8Confident78Confident156 Ų15662.7 Ų62.773%0.72936%0.364SS*.THydrogen-bonded Turntrans-81.2152.2177.4-61.9-167.4169.900111.2P52 H84 L88P52-E86 WeakPolarHBondContact CG-O 3.31Å; H84-E86 PolarHBondContact O-N 3Å; E86-L88 PolarHBondContact O-N 3.35Å
87G76.4Confident76.6Confident42 Ų4264.4 Ų64.443%0.43337%0.374SS..THydrogen-bonded Turntrans77.710.3173.900000116.8Q89 M90G87-Q89 PolarHBondContact O-N 2.9Å; G87-M90 VanDerWaalsContact O-CB 3.31Å; G87-M90 WeakPolarHBondContact O-CB 3.28Å; G87-M90 PolarHBondContact O-N 2.9Å
88L76.4Confident75Confident12 Ų1271.2 Ų71.26%0.06340%0.404CS..THydrogen-bonded Turntrans-54.9-22.9177.2-65.1-177.1000114.9L8 Q10 L15 P52 F85 E86L8-L88 HydrophobicContact CB-CB 4.11Å; L8-L88 HydrophobicContact CB-CD1 4.4Å; L8-L88 HydrophobicContact CB-CD2 4.22Å; L8-L88 HydrophobicContact CB-CG 4.49Å; L8-L88 HydrophobicContact CD2-CD2 3.86Å; Q10-L88 HydrophobicContact CB-CD1 3.9Å; Q10-L88 HydrophobicContact CG-CD1 3.83Å; L15-L88 HydrophobicContact CD1-CD1 3.91Å; L15-L88 HydrophobicContact CD1-CD2 4.08Å; P52-L88 HydrophobicContact CG-CD2 4.41Å; F85-L88 HydrophobicContact CB-CD1 4.22Å; F85-L88 HydrophobicContact CB-CD2 3.91Å; F85-L88 HydrophobicContact CB-CG 4.07Å; F85-L88 HydrophobicContact CD2-CD2 4.38Å; E86-L88 PolarHBondContact O-N 3.35Å
89Q72.9Confident73.2Confident163 Ų16374.1 Ų74.176%0.76244%0.436SS*.THydrogen-bonded Turntrans-81.4-13.3175.9-62.7-67.3-29.300113.3G87 L91G87-Q89 PolarHBondContact O-N 2.9Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 PolarHBondContact O-N 2.83Å; Q89-L91 VanDerWaalsContact O-N 3.1Å
90M75.9Confident71.3Confident117 Ų11772.1 Ų72.158%0.57644%0.435SS*.  trans-88.463.1-177.7-57.8-63.2-70.600109.9G87 T92 S93 L94G87-M90 VanDerWaalsContact O-CB 3.31Å; G87-M90 WeakPolarHBondContact O-CB 3.28Å; G87-M90 PolarHBondContact O-N 2.9Å; M90-T92 PolarHBondContact O-N 2.86Å; M90-T92 VanDerWaalsContact O-N 3.09Å; M90-S93 WeakPolarHBondContact O-CA 3.39Å; M90-S93 VanDerWaalsContact O-CB 3.29Å; M90-S93 WeakPolarHBondContact O-CB 3.31Å; M90-S93 PolarHBondContact O-N 3.12Å; M90-L94 PolarHBondContact O-N 3.38Å
91L74Confident69.4Low47 Ų4780.7 Ų80.725%0.24646%0.46CS..Hα-helixtrans-51.7-38.9-169.7-55.2-179.2000113.6F6 L8 Q89 S93 L94 L95F6-L91 HydrophobicContact CD2-CD2 4.31Å; F6-L91 HydrophobicContact CE2-CB 4.47Å; F6-L91 HydrophobicContact CE2-CD2 3.69Å; F6-L91 HydrophobicContact CZ-CB 3.97Å; F6-L91 HydrophobicContact CZ-CD2 4.05Å; F6-L91 HydrophobicContact CZ-CG 4.44Å; L8-L91 HydrophobicContact CD1-CD2 4.36Å; Q89-L91 VanDerWaalsContact C-N 3.28Å; Q89-L91 PolarHBondContact O-N 2.83Å; Q89-L91 VanDerWaalsContact O-N 3.1Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.89Å; L91-L94 HydrophobicContact CD2-CD1 4.46Å; L91-L94 PolarHBondContact O-N 3.07Å; L91-L94 VanDerWaalsContact O-N 3.11Å; L91-L95 VanDerWaalsContact O-CD1 3.31Å; L91-L95 WeakPolarHBondContact O-CD1 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 3.44Å
92T73.6Confident67.7Low108 Ų10882.6 Ų82.666%0.66347%0.469SS*.Hα-helixtrans-63.6-31.3175.9510000113.6M90 L94 A96M90-T92 PolarHBondContact O-N 2.86Å; M90-T92 VanDerWaalsContact O-N 3.09Å; T92-L94 VanDerWaalsContact C-N 3.33Å; T92-A96 PolarHBondContact O-N 3.1Å
93S69.1Low65.7Low81 Ų8183.7 Ų83.757%0.56647%0.472SS*.Hα-helixtrans-76.4-20.5174.9-168.90000113M90 L91M90-S93 WeakPolarHBondContact O-CA 3.39Å; M90-S93 VanDerWaalsContact O-CB 3.29Å; M90-S93 WeakPolarHBondContact O-CB 3.31Å; M90-S93 PolarHBondContact O-N 3.12Å; L91-S93 VanDerWaalsContact C-N 3.29Å; L91-S93 PolarHBondContact O-N 2.89Å
94L74.4Confident63.5Low8 Ų888.6 Ų88.64%0.04249%0.492CS..Hα-helixtrans-83.5-28.7175.7-59.4175.2000111.7L8 L49 T50 M90 L91 T92L8-L94 HydrophobicContact CD1-CD1 3.82Å; L8-L94 HydrophobicContact CD2-CD1 4.14Å; L49-L94 CarbonylContact C-O 3.59Å; L49-L94 WeakPolarHBondContact CA-O 3.07Å; L49-L94 HydrophobicContact CD2-CB 4.05Å; T50-L94 PolarHBondContact N-O 3.08Å; T50-L94 WeakPolarHBondContact O-CD2 3.41Å; M90-L94 PolarHBondContact O-N 3.38Å; L91-L94 HydrophobicContact CD2-CD1 4.46Å; L91-L94 PolarHBondContact O-N 3.07Å; L91-L94 VanDerWaalsContact O-N 3.11Å; T92-L94 VanDerWaalsContact C-N 3.33Å
95L74.8Confident61.1Low12 Ų1288.1 Ų88.16%0.06350%0.5CS..Hα-helixtrans-81.7-25.8178.7-63.8152.3000112.5T3 F6 L47 L49 L91 Q134 V136T3-L95 HydrophobicContact CG2-CD2 3.92Å; F6-L95 HydrophobicContact CE1-CD1 4.04Å; F6-L95 HydrophobicContact CE1-CD2 3.96Å; F6-L95 HydrophobicContact CE1-CG 4.27Å; F6-L95 HydrophobicContact CZ-CD1 4.06Å; F6-L95 HydrophobicContact CZ-CD2 4.08Å; F6-L95 HydrophobicContact CZ-CG 4.05Å; L47-L95 HydrophobicContact CD1-CD2 3.8Å; L49-L95 HydrophobicContact CD2-CD2 4.1Å; L49-L95 HydrophobicContact CD2-CG 4.42Å; L91-L95 VanDerWaalsContact O-CD1 3.31Å; L91-L95 WeakPolarHBondContact O-CD1 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.37Å; L91-L95 PolarHBondContact O-N 3.44Å; L95-Q134 HydrophobicContact CD2-CB 4.03Å; L95-Q134 VanDerWaalsContact CD2-OE1 3.28Å; L95-V136 HydrophobicContact CD1-CG2 3.13Å
96A64.4Low59.1Low31 Ų3196.4 Ų96.426%0.25654%0.544SS..SBendtrans-60.5135.2179.800000111.9T50 T92T50-A96 PolarHBondContact OG1-O 2.83Å; T92-A96 PolarHBondContact O-N 3.1Å
97P59Low57.1Low38 Ų3894.6 Ų94.625%0.24754%0.544CS..  trans-66.3154.1169.927.9-32.4000111.3G99 S100P97-G99 PolarHBondContact O-N 3.05Å; P97-S100 PolarHBondContact O-N 3.39Å; P97-S100 PolarHBondContact O-OG 2.88Å
98K52.2Low55.6Low143 Ų143102 Ų10262%0.62257%0.567SS**THydrogen-bonded Turntrans-64.8101.9177.2-63.8-178.2-166.7176.10110D36 T50D36-K98 IonicContact OD1-NZ 2.65Å; D36-K98 PolarHBondContact OD1-NZ 3.3Å; D36-K98 WeakPolarHBondContact OD2-CE 3.36Å; D36-K98 IonicContact OD2-NZ 3.37Å; D36-K98 PolarHBondContact OD2-NZ 3.24Å; T50-K98 HydrophobicContact CG2-CD 4.3Å; T50-K98 HydrophobicContact CG2-CG 3.72Å
99G51Low53.6Low68 Ų68108.5 Ų108.570%0.70160%0.602SS**THydrogen-bonded Turntrans133.3-16.6173.900000115.3P97 R101P97-G99 PolarHBondContact O-N 3.05Å; G99-R101 VanDerWaalsContact C-N 3.29Å; G99-R101 PolarHBondContact O-N 2.89Å
100S44.8Very low51.7Low71 Ų71108.7 Ų108.750%0.49760%0.604SS.*  trans-72.376.1-176.661.40000113P97 S102P97-S100 PolarHBondContact O-N 3.39Å; P97-S100 PolarHBondContact O-OG 2.88Å; S100-S102 PolarHBondContact O-N 2.92Å
101R40.7Very low49.6Very low237 Ų237112.2 Ų112.289%0.89462%0.62SS**  trans-73.987.5173.5-63.7-179.378-1754.8109.6G99 A103G99-R101 VanDerWaalsContact C-N 3.29Å; G99-R101 PolarHBondContact O-N 2.89Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 2.83Å
102S42.6Very low47.9Very low126 Ų126114.3 Ų114.388%0.88164%0.643SS**  trans-66.282.5174.2-176.60000112.2S100S100-S102 PolarHBondContact O-N 2.92Å
103A32.3Very low46Very low80 Ų80115.9 Ų115.966%0.66166%0.657SS**  trans177110.2147.300000110.9R101R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 2.83Å
104K35.2Very low44.3Very low185 Ų185117.9 Ų117.980%0.80467%0.672SS**  trans-77.3121.7153-73.1-174.7177.9179.20107.1L106K104-L106 PolarHBondContact O-N 2.83Å
105P32.3Very low42.3Very low121 Ų121120.3 Ų120.379%0.78670%0.698SS**  trans-67.1127.6-176.4-19.531.9000111.6V107P105-V107 PolarHBondContact O-N 2.86Å; P105-V107 VanDerWaalsContact O-N 3.15Å
106L41.1Very low40.4Very low179 Ų179127.3 Ų127.394%0.93773%0.734SS**  trans-85.684179.8-148.988.4000110.7K104K104-L106 PolarHBondContact O-N 2.83Å
107V36.3Very low38.9Very low118 Ų118132.9 Ų132.972%0.71576%0.759SS**  trans-137.394.7166.5-174.50000109.2P105 D109P105-V107 PolarHBondContact O-N 2.86Å; P105-V107 VanDerWaalsContact O-N 3.15Å; V107-D109 HydrophobicContact CG1-CB 4.42Å
108E44.9Very low37.7Very low196 Ų196137.8 Ų137.892%0.91678%0.783SS**  trans-79.7120.2155.9-69.4-176.9135.100107.7
109D34.8Very low37Very low150 Ų150135 Ų13580%0.80279%0.794SS**  trans-143153.4163.2-108-36000110.4V107V107-D109 HydrophobicContact CG1-CB 4.42Å
110M33.5Very low36.1Very low166 Ų166139.9 Ų139.982%0.81880%0.799SS**  trans-84.1166.8-154.7-66.4165.648.900116
111E31.3Very low35.5Very low192 Ų192145 Ų14590%0.89782%0.815SS**  trans97.8145.6142.7-150.8160.8-138.500118.2
112A38.7Very low35.2Very low90 Ų90141.6 Ų141.674%0.74481%0.809SS**  trans-96.4148.3-156.100000114.3
113C32.3Very low34.7Very low141 Ų141142.1 Ų142.195%0.95380%0.802SS**  trans-149.3152.6148.6-103.60000112.8
114S33.4Very low35.1Very low124 Ų124144.7 Ų144.787%0.86781%0.805SS**  trans-90.4139.3-1681410000113.2
115G32.3Very low35.4Very low58 Ų58144 Ų14460%0.59880%0.804SS**  126.7104.6127.200000118.7
116I35.2Very low35.9Very low159 Ų159145.4 Ų145.482%0.81580%0.801SS**  trans48.5112.3141.5-36.2177.1000117.7
117L32.8Very low36Very low148 Ų148145.8 Ų145.878%0.77580%0.798SS**  -172.8149109.4-95.7166.3000111.4
118D34.2Very low35.9Very low141 Ų141147.7 Ų147.775%0.75480%0.797SS**  trans46.797.9167.7-56.1-18.8000118.2E120D118-E120 PolarHBondContact O-N 2.84Å
119G37.8Very low35.9Very low84 Ų84141.7 Ų141.787%0.86677%0.771SS**  trans-78.591.7157.300000109.8
120E31.6Very low36.4Very low171 Ų171145.2 Ų145.280%0.79977%0.773SS**  trans-83.4108141.7-67.9-175163.100105.2D118 E122D118-E120 PolarHBondContact O-N 2.84Å; E120-E122 PolarHBondContact O-N 2.85Å
121E32.4Very low37.3Very low180 Ų180141.7 Ų141.784%0.84176%0.755SS**  trans-67.892.4158.9-72.1177.3168.200104.9D123E121-D123 PolarHBondContact O-N 2.76Å
122E34.5Very low38.3Very low164 Ų164138.7 Ų138.777%0.76675%0.749SS**  trans-59.297.3153-75.9-174.814200105E120 D124E120-E122 PolarHBondContact O-N 2.85Å; E122-D124 PolarHBondContact O-N 3.41Å
123D32.6Very low39Very low137 Ų137143.1 Ų143.173%0.73375%0.754SS**  trans-56.985155.5-94.1-38.3000105.9E121 E125E121-D123 PolarHBondContact O-N 2.76Å; D123-E125 HydrophobicContact CB-CG 4.43Å; D123-E125 PolarHBondContact O-N 3.37Å
124D40.2Very low39.8Very low134 Ų134137.9 Ų137.972%0.71772%0.716SS**  trans-61.775.5151-85.4-28.8000106E122 E126E122-D124 PolarHBondContact O-N 3.41Å; D124-E126 PolarHBondContact O-N 3.5Å
125E41.5Very low40.7Very low170 Ų170140.1 Ų140.179%0.79471%0.713SS**  trans-60.575.3152.3-72.6-171.4160.100106.1D123 E127D123-E125 HydrophobicContact CB-CG 4.43Å; D123-E125 PolarHBondContact O-N 3.37Å; E125-E127 PolarHBondContact O-N 3.47Å
126E43.1Very low41.7Very low152 Ų152138.9 Ų138.971%0.7169%0.693SS**  trans-5692160.8-78.1-172.9161.500105.2D124 F128D124-E126 PolarHBondContact O-N 3.5Å; E126-F128 WeakPolarHBondContact O-CA 3.45Å; E126-F128 PolarHBondContact O-N 2.67Å
127E41.8Very low42.4Very low186 Ų186134.4 Ų134.487%0.86967%0.667SS**  trans-48.6102.8-175.1-177176.3-163.100108.2E125 D129E125-E127 PolarHBondContact O-N 3.47Å; E127-D129 PolarHBondContact O-N 3.37Å
128F34Very low43.2Very low159 Ų159133.9 Ų133.970%0.69766%0.662SS**  trans-62.9108.1-162.4-174-90.5000109.1E126 W130E126-F128 WeakPolarHBondContact O-CA 3.45Å; E126-F128 PolarHBondContact O-N 2.67Å; F128-W130 HydrophobicContact CD1-CD2 4.4Å; F128-W130 HydrophobicContact CD1-CZ2 4.42Å; F128-W130 PolarHBondContact O-N 3.5Å
129D46.6Very low44Very low69 Ų69131.4 Ų131.437%0.36965%0.649SS.*  trans-74.3100.8-165.1-166.75.2000110.5E127 Q131E127-D129 PolarHBondContact O-N 3.37Å; D129-Q131 PolarHBondContact O-N 3.25Å; D129-Q131 VanDerWaalsContact O-N 3.1Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.49Å; D129-Q131 WeakPolarHBondContact OD1-CG 3.47Å; D129-Q131 PolarHBondContact OD1-N 3.35Å; D129-Q131 VanDerWaalsContact OD1-N 3.08Å; D129-Q131 PolarHBondContact OD1-NE2 2.76Å
130W44.9Very low44.8Very low224 Ų224129.1 Ų129.185%0.84862%0.62SS**  trans-70.53.8175.9-67.291.4000113F128F128-W130 HydrophobicContact CD1-CD2 4.4Å; F128-W130 HydrophobicContact CD1-CZ2 4.42Å; F128-W130 PolarHBondContact O-N 3.5Å
131Q51.4Low45.9Very low93 Ų93123.3 Ų123.344%0.43560%0.597SS.*PPolyproline II helixtrans-79.1118.1178.2-60.3157.947.300110.4R48 D129 E133R48-Q131 VanDerWaalsContact CZ-OE1 3.22Å; R48-Q131 VanDerWaalsContact NH1-CD 3.27Å; R48-Q131 VanDerWaalsContact NH2-OE1 3.12Å; D129-Q131 PolarHBondContact O-N 3.25Å; D129-Q131 VanDerWaalsContact O-N 3.1Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.49Å; D129-Q131 WeakPolarHBondContact OD1-CG 3.47Å; D129-Q131 PolarHBondContact OD1-N 3.35Å; D129-Q131 VanDerWaalsContact OD1-N 3.08Å; D129-Q131 PolarHBondContact OD1-NE2 2.76Å; Q131-E133 PolarHBondContact O-N 2.66Å
132V52.3Low47Very low128 Ų128121 Ų12178%0.77659%0.587SS**PPolyproline II helixtrans-65.7127.5175.2-178.40000109.8Q134V132-Q134 PolarHBondContact O-N 3.43Å
133E53.4Low48.1Very low184 Ų184118.6 Ų118.686%0.8658%0.576SS**PPolyproline II helixtrans-58.6131.8177.5-68.8-171.7139.800111.5Q131Q131-E133 PolarHBondContact O-N 2.66Å
134Q50Low49.4Very low30 Ų30117.1 Ų117.114%0.1456%0.564CS.*  trans-95.3101.1-179.8-69.4-172.2-10.300110.8T3 F46 R48 L95 V132T3-Q134 HydrophobicContact CG2-CB 4.19Å; F46-Q134 VanDerWaalsContact CD1-NE2 3.3Å; F46-Q134 VanDerWaalsContact CE1-NE2 3.27Å; R48-Q134 PolarHBondContact O-OE1 3.44Å; L95-Q134 HydrophobicContact CD2-CB 4.03Å; L95-Q134 VanDerWaalsContact CD2-OE1 3.28Å; V132-Q134 PolarHBondContact O-N 3.43Å
135E52.9Low50.4Low172 Ų172113.4 Ų113.480%0.80454%0.544SS*.PPolyproline II helixtrans-76.6130167.6-65.4-167.4159.400110.3T3 Y137T3-E135 WeakPolarHBondContact CB-O 3.32Å; T3-E135 PolarHBondContact OG1-O 3.34Å; E135-Y137 PolarHBondContact O-N 3.14Å
136V51.9Low51.5Low32 Ų32111.4 Ų111.419%0.19453%0.533CS..PPolyproline II helixtrans-71.2124.9175.1-175.20000109.7F6 L95 M138F6-V136 HydrophobicContact CE1-CG2 4.28Å; L95-V136 HydrophobicContact CD1-CG2 3.13Å; V136-M138 HydrophobicContact CB-CE 4.34Å; V136-M138 HydrophobicContact CG1-CE 3.67Å; V136-M138 PolarHBondContact O-N 3.39Å; V136-M138 VanDerWaalsContact O-N 3.15Å
137Y50.5Low52.9Low65 Ų65111.8 Ų111.826%0.25554%0.535SS..PPolyproline II helixtrans-63.8116169.5175.1-96.4000110.9T3 E135 D139T3-Y137 WeakPolarHBondContact O-CB 3.33Å; E135-Y137 PolarHBondContact O-N 3.14Å; Y137-D139 WeakPolarHBondContact CE1-OD1 3.36Å
138M50.1Low54.8Low136 Ų136104.6 Ų104.667%0.6750%0.502SS*.PPolyproline II helixtrans-89.6132166.2-67.4-74.398.600109.2V136 S140V136-M138 HydrophobicContact CB-CE 4.34Å; V136-M138 HydrophobicContact CG1-CE 3.67Å; V136-M138 PolarHBondContact O-N 3.39Å; V136-M138 VanDerWaalsContact O-N 3.15Å; M138-S140 PolarHBondContact O-N 3.07Å
139D51.2Low57.2Low90 Ų90100.2 Ų100.248%0.48148%0.484SS..PPolyproline II helixtrans-55.3129.1173.1-91-31.8000110.6R20 Y137 S141R20-D139 IonicContact CZ-OD2 3.46Å; R20-D139 IonicContact NH1-OD1 3.25Å; R20-D139 IonicContact NH1-OD2 2.67Å; R20-D139 PolarHBondContact NH1-OD2 2.76Å; R20-D139 IonicContact NH2-OD1 2.89Å; R20-D139 IonicContact NH2-OD2 2.64Å; Y137-D139 WeakPolarHBondContact CE1-OD1 3.36Å; D139-S141 PolarHBondContact O-N 2.89Å
140S53.2Low59.1Low36 Ų36102 Ų10225%0.25249%0.488SS..PPolyproline II helixtrans-60.5133.2172.1-54.30000110.1M138M138-S140 PolarHBondContact O-N 3.07Å
141S54.9Low61.2Low48 Ų4891.4 Ų91.434%0.33645%0.448SS..PPolyproline II helixtrans-64.6157.6-177.5890000111.4D139 E143 Q144 L145D139-S141 PolarHBondContact O-N 2.89Å; S141-E143 VanDerWaalsContact CB-OE2 3.27Å; S141-E143 WeakPolarHBondContact CB-OE2 3.43Å; S141-E143 PolarHBondContact O-N 2.76Å; S141-E143 VanDerWaalsContact O-N 3.11Å; S141-E143 PolarHBondContact OG-N 2.64Å; S141-E143 PolarHBondContact OG-OE2 2.83Å; S141-Q144 WeakPolarHBondContact O-CB 3.29Å; S141-Q144 PolarHBondContact O-N 3Å; S141-L145 PolarHBondContact O-N 3Å
142E56.5Low63Low131 Ų13187.2 Ų87.261%0.61243%0.43SS*.Hα-helixtrans-58.6-29.2-179.7-71.6-161.5177.600112.9K146E142-K146 WeakPolarHBondContact O-CD 2.99Å; E142-K146 WeakPolarHBondContact O-CE 3.39Å; E142-K146 WeakPolarHBondContact O-CG 3.33Å; E142-K146 PolarHBondContact O-N 2.85Å; E142-K146 VanDerWaalsContact O-N 3.1Å; E142-K146 IonicContact OE2-NZ 3.89Å; E142-K146 PolarHBondContact OE2-NZ 3.49Å
143E57.9Low64.8Low115 Ų11581.2 Ų81.254%0.53739%0.393SS..Hα-helixtrans-64.4-48.4175-60.168.5-142.800110.6S141 L145 K146 E147S141-E143 VanDerWaalsContact CB-OE2 3.27Å; S141-E143 WeakPolarHBondContact CB-OE2 3.43Å; S141-E143 PolarHBondContact O-N 2.76Å; S141-E143 VanDerWaalsContact O-N 3.11Å; S141-E143 PolarHBondContact OG-N 2.64Å; S141-E143 PolarHBondContact OG-OE2 2.83Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.81Å; E143-K146 WeakPolarHBondContact O-CB 3.19Å; E143-K146 PolarHBondContact O-N 3.1Å; E143-K146 VanDerWaalsContact O-N 3.09Å; E143-E147 PolarHBondContact O-N 3.45Å
144Q60.1Low66.3Low106 Ų10672.9 Ų72.950%0.49536%0.357SS..Hα-helixtrans-60.9-42.2177.5-64.5172.9-21.400111S141 K146 E147 L148S141-Q144 WeakPolarHBondContact O-CB 3.29Å; S141-Q144 PolarHBondContact O-N 3Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 2.79Å; Q144-E147 PolarHBondContact O-N 3.19Å; Q144-L148 PolarHBondContact O-N 3.46Å
145L61.1Low68Low56 Ų5673 Ų7329%0.29336%0.361SS..Hα-helixtrans-66.3-25.2176.4-65.8175.7000113.6S141 E143 L148S141-L145 PolarHBondContact O-N 3Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 2.81Å; L145-L148 HydrophobicContact CD2-CD1 4.11Å
146K63.3Low69.6Low128 Ų12868.5 Ų68.556%0.55734%0.34SS*.Hα-helixtrans-76-23.4175.5-73.2155.9-163.91570112.6E142 E143 Q144E142-K146 WeakPolarHBondContact O-CD 2.99Å; E142-K146 WeakPolarHBondContact O-CE 3.39Å; E142-K146 WeakPolarHBondContact O-CG 3.33Å; E142-K146 PolarHBondContact O-N 2.85Å; E142-K146 VanDerWaalsContact O-N 3.1Å; E142-K146 IonicContact OE2-NZ 3.89Å; E142-K146 PolarHBondContact OE2-NZ 3.49Å; E143-K146 WeakPolarHBondContact O-CB 3.19Å; E143-K146 PolarHBondContact O-N 3.1Å; E143-K146 VanDerWaalsContact O-N 3.09Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 2.79Å
147E74.1Confident71.1Confident160 Ų16070.1 Ų70.175%0.74834%0.343SS*.Hα-helixtrans-80.8-23.3175.5-65-179.7174.600112.9E143 Q144E143-E147 PolarHBondContact O-N 3.45Å; Q144-E147 PolarHBondContact O-N 3.19Å
148L79.8Confident72.6Confident34 Ų3468.5 Ų68.518%0.17834%0.341CS..SBendtrans-71.5148.7179.8-60.8-174.7000113.5Q144 L145 D178Q144-L148 PolarHBondContact O-N 3.46Å; L145-L148 HydrophobicContact CD2-CD1 4.11Å; L148-D178 HydrophobicContact CD1-CB 4.31Å; L148-D178 HydrophobicContact CD2-CB 4.3Å
149Q84.8Confident73.6Confident68 Ų6862.6 Ų62.632%0.31832%0.315SS..PPolyproline II helixtrans-76.7125.4175.5-62-59.6-64.800110.8Y151 D178Q149-Y151 WeakPolarHBondContact O-CD1 3.32Å; Q149-Y151 WeakPolarHBondContact O-CE1 3.36Å; Q149-D178 PolarHBondContact N-O 3.05Å
150K86.8Confident74.8Confident105 Ų10558.6 Ų58.646%0.45729%0.294SS..PPolyproline II helixtrans-80.8161.8-175.8-54.2-167.7179.6-170.90113.4S155 R157 R185K150-S155 WeakPolarHBondContact CB-O 3.34Å; K150-S155 VanDerWaalsContact CD-O 3.29Å; K150-S155 WeakPolarHBondContact CD-O 3.38Å; K150-R157 CarbonylContact C-O 3.57Å; K150-R157 VanDerWaalsContact CA-O 3.28Å; K150-R157 WeakPolarHBondContact CA-O 3.42Å; K150-R157 WeakPolarHBondContact CB-O 3.04Å; K150-R185 PolarHBondContact O-NH1 3.3Å; K150-R185 VanDerWaalsContact O-NH1 3.13Å; K150-R185 PolarHBondContact O-NH2 2.99Å; K150-R185 VanDerWaalsContact O-NH2 3.15Å
151Y89.4Confident75.7Confident2 Ų257.1 Ų57.11%0.00828%0.283CS..BIsolated β-bridgetrans-161.7-165.7177.744.8-101.1000109.6Q149 S155 Q156 R157 S158 G159 V160 F161 P177 D178 L305 L375Q149-Y151 WeakPolarHBondContact O-CD1 3.32Å; Q149-Y151 WeakPolarHBondContact O-CE1 3.36Å; Y151-S155 CarbonylContact O-C 3.49Å; Y151-S155 WeakPolarHBondContact O-CA 3.23Å; Y151-Q156 PolarHBondContact O-N 3.47Å; Y151-R157 HydrophobicContact CD2-CB 4.06Å; Y151-R157 HydrophobicContact CE2-CB 3.96Å; Y151-R157 PolarHBondContact N-O 3.12Å; Y151-R157 PolarHBondContact O-N 3.49Å; Y151-S158 WeakPolarHBondContact OH-CA 3.04Å; Y151-G159 PolarHBondContact OH-N 2.93Å; Y151-V160 HydrophobicContact CE2-CB 4.14Å; Y151-V160 HydrophobicContact CE2-CG2 4.19Å; Y151-V160 PolarHBondContact OH-N 2.91Å; Y151-F161 HydrophobicContact CD2-CD2 4.33Å; Y151-F161 AromaticContact CD2-CE2 3.8Å; Y151-F161 HydrophobicContact CD2-CE2 3.8Å; Y151-F161 AromaticContact CE1-CD2 3.96Å; Y151-F161 HydrophobicContact CE1-CD2 3.96Å; Y151-F161 HydrophobicContact CE1-CE2 4.29Å; Y151-F161 AromaticContact CE2-CD2 3.65Å; Y151-F161 HydrophobicContact CE2-CD2 3.65Å; Y151-F161 AromaticContact CE2-CE2 3.49Å; Y151-F161 HydrophobicContact CE2-CE2 3.49Å; Y151-F161 VanDerWaalsContact CE2-CE2 3.49Å; Y151-F161 HydrophobicContact CG-CE2 4.34Å; Y151-F161 AromaticContact CZ-CD2 3.44Å; Y151-F161 VanDerWaalsContact CZ-CD2 3.44Å; Y151-F161 AromaticContact CZ-CE2 3.78Å; Y151-P177 HydrophobicContact CD1-CB 4.46Å; Y151-D178 WeakPolarHBondContact CE1-OD1 3.11Å; Y151-D178 VanDerWaalsContact CZ-OD1 3.31Å; Y151-D178 VanDerWaalsContact OH-CG 3.26Å; Y151-D178 PolarHBondContact OH-OD1 3.03Å; Y151-D178 PolarHBondContact OH-OD2 3.07Å; Y151-L305 HydrophobicContact CD1-CD1 4.13Å; Y151-L305 HydrophobicContact CG-CD1 3.94Å; Y151-L375 HydrophobicContact CD2-CD2 4.34Å; Y151-L375 HydrophobicContact CE2-CD2 4.22Å
152G88.4Confident76.3Confident6 Ų658.9 Ų58.96%0.06229%0.292CS..SBendtrans73.4-174.8-173.800000112.5G154 S155 L375 Y376G152-G154 PolarHBondContact O-N 3.3Å; G152-G154 VanDerWaalsContact O-N 3.11Å; G152-S155 PolarHBondContact O-N 2.87Å; G152-L375 CarbonylContact C-O 3.6Å; G152-L375 WeakPolarHBondContact CA-O 3.37Å; G152-Y376 VanDerWaalsContact CA-CE1 3.47Å; G152-Y376 PolarHBondContact N-OH 3.04Å; G152-Y376 VanDerWaalsContact N-OH 3.14Å
153F90.7Very high76.8Confident1 Ų154.6 Ų54.60%0.00427%0.27CS..G310 helixtrans-53.8116-179.9178-93.3000111.9S155 Q156 Y255 L257 V265 L375 D379 Y380 W383F153-S155 PolarHBondContact O-N 2.83Å; F153-Q156 WeakPolarHBondContact O-CB 3.4Å; F153-Q156 WeakPolarHBondContact O-CG 3.32Å; F153-Q156 PolarHBondContact O-N 3.19Å; F153-Q156 PolarHBondContact O-NE2 3.15Å; F153-Y255 AromaticContact CD1-CD1 3.98Å; F153-Y255 HydrophobicContact CD1-CD1 3.98Å; F153-Y255 HydrophobicContact CD1-CE1 4.02Å; F153-Y255 HydrophobicContact CD1-CG 4.5Å; F153-Y255 AromaticContact CE1-CD1 3.6Å; F153-Y255 HydrophobicContact CE1-CD1 3.6Å; F153-Y255 HydrophobicContact CE1-CD2 4.1Å; F153-Y255 AromaticContact CE1-CE1 3.94Å; F153-Y255 HydrophobicContact CE1-CE1 3.94Å; F153-Y255 HydrophobicContact CE1-CE2 4.43Å; F153-Y255 AromaticContact CE1-CG 3.68Å; F153-Y255 HydrophobicContact CE1-CG 3.68Å; F153-Y255 HydrophobicContact CZ-CG 4.45Å; F153-L257 HydrophobicContact CE1-CD1 4.29Å; F153-L257 HydrophobicContact CZ-CD1 4.31Å; F153-V265 HydrophobicContact CD2-CG1 4.46Å; F153-V265 HydrophobicContact CE2-CG1 3.56Å; F153-V265 HydrophobicContact CE2-CG2 4.19Å; F153-V265 HydrophobicContact CZ-CG1 3.8Å; F153-V265 HydrophobicContact CZ-CG2 4.18Å; F153-L375 PolarHBondContact N-O 3.31Å; F153-D379 HydrophobicContact CB-CB 3.51Å; F153-D379 HydrophobicContact CD1-CB 3.63Å; F153-D379 HydrophobicContact CD2-CB 3.86Å; F153-D379 HydrophobicContact CE1-CB 4.37Å; F153-D379 HydrophobicContact CG-CB 3.37Å; F153-Y380 AromaticContact CD2-CD1 3.89Å; F153-Y380 HydrophobicContact CD2-CD1 3.89Å; F153-Y380 AromaticContact CD2-CD2 3.92Å; F153-Y380 HydrophobicContact CD2-CD2 3.92Å; F153-Y380 AromaticContact CD2-CE1 3.76Å; F153-Y380 HydrophobicContact CD2-CE1 3.76Å; F153-Y380 AromaticContact CD2-CE2 3.81Å; F153-Y380 HydrophobicContact CD2-CE2 3.81Å; F153-Y380 AromaticContact CD2-CG 3.93Å; F153-Y380 HydrophobicContact CD2-CG 3.93Å; F153-Y380 AromaticContact CD2-CZ 3.68Å; F153-Y380 AromaticContact CE2-CD1 3.62Å; F153-Y380 HydrophobicContact CE2-CD1 3.62Å; F153-Y380 HydrophobicContact CE2-CD2 4.49Å; F153-Y380 AromaticContact CE2-CE1 3.54Å; F153-Y380 HydrophobicContact CE2-CE1 3.54Å; F153-Y380 HydrophobicContact CE2-CE2 4.44Å; F153-Y380 HydrophobicContact CE2-CG 4.08Å; F153-Y380 AromaticContact CE2-CZ 3.94Å; F153-W383 HydrophobicContact CE2-CB 4.02Å; F153-W383 HydrophobicContact CE2-CD2 4.32Å; F153-W383 HydrophobicContact CE2-CG 4.08Å; F153-W383 HydrophobicContact CZ-CB 3.64Å; F153-W383 AromaticContact CZ-CD1 3.65Å; F153-W383 HydrophobicContact CZ-CD2 4.05Å; F153-W383 AromaticContact CZ-CG 3.52Å; F153-W383 HydrophobicContact CZ-CG 3.52Å
154G85.7Confident77.3Confident9 Ų949.1 Ų49.19%0.09325%0.245CC..G310 helixtrans62.222.5-179.400000115.3G152 Q156 V265G152-G154 PolarHBondContact O-N 3.3Å; G152-G154 VanDerWaalsContact O-N 3.11Å; G154-Q156 VanDerWaalsContact C-N 3.32Å; G154-Q156 PolarHBondContact O-N 2.77Å; G154-V265 VanDerWaalsContact CA-CG2 3.5Å
155S85.8Confident77.5Confident34 Ų3448.1 Ų48.124%0.23824%0.24CC..G310 helixtrans58.438.2-175-55.70000113.9K150 Y151 G152 F153K150-S155 WeakPolarHBondContact CB-O 3.34Å; K150-S155 VanDerWaalsContact CD-O 3.29Å; K150-S155 WeakPolarHBondContact CD-O 3.38Å; Y151-S155 CarbonylContact O-C 3.49Å; Y151-S155 WeakPolarHBondContact O-CA 3.23Å; G152-S155 PolarHBondContact O-N 2.87Å; F153-S155 PolarHBondContact O-N 2.83Å
156Q85.1Confident77.6Confident77 Ų7751.8 Ų51.836%0.3626%0.255SS..  trans-93.7-7.3-178-71.9172.483.600114.6Y151 F153 G154Y151-Q156 PolarHBondContact O-N 3.47Å; F153-Q156 WeakPolarHBondContact O-CB 3.4Å; F153-Q156 WeakPolarHBondContact O-CG 3.32Å; F153-Q156 PolarHBondContact O-N 3.19Å; F153-Q156 PolarHBondContact O-NE2 3.15Å; G154-Q156 VanDerWaalsContact C-N 3.32Å; G154-Q156 PolarHBondContact O-N 2.77Å
157R83.8Confident77.6Confident65 Ų6547.4 Ų47.425%0.24524%0.237CC..BIsolated β-bridgetrans-111.8149.7-179.3-55.6-66.4-167.1-97.3-16.7111.5K150 Y151 V160 D374 L375 D379K150-R157 CarbonylContact C-O 3.57Å; K150-R157 VanDerWaalsContact CA-O 3.28Å; K150-R157 WeakPolarHBondContact CA-O 3.42Å; K150-R157 WeakPolarHBondContact CB-O 3.04Å; Y151-R157 HydrophobicContact CD2-CB 4.06Å; Y151-R157 HydrophobicContact CE2-CB 3.96Å; Y151-R157 PolarHBondContact N-O 3.12Å; Y151-R157 PolarHBondContact O-N 3.49Å; R157-V160 HydrophobicContact CB-CG2 4.47Å; R157-D374 PolarHBondContact NH2-O 3.43Å; R157-L375 HydrophobicContact CB-CD2 4.12Å; R157-L375 HydrophobicContact CG-CD2 4.05Å; R157-D379 IonicContact CZ-OD2 3.44Å; R157-D379 IonicContact NH1-OD2 2.87Å; R157-D379 IonicContact NH2-OD1 3.67Å; R157-D379 IonicContact NH2-OD2 2.66Å; R157-D379 PolarHBondContact NH2-OD2 3.25Å
158S81.7Confident77.3Confident31 Ų3140 Ų4022%0.21720%0.202CC..  trans-163.4154.9176.346.90000109.3Y151 V160Y151-S158 WeakPolarHBondContact OH-CA 3.04Å; S158-V160 VanDerWaalsContact C-N 3.29Å; S158-V160 PolarHBondContact O-N 2.65Å
159G72.1Confident76.8Confident12 Ų1242 Ų4212%0.12422%0.219CC..SBendtrans76.80.7-179.100000116.1Y151 D178Y151-G159 PolarHBondContact OH-N 2.93Å; G159-D178 WeakPolarHBondContact CA-OD1 3.35Å; G159-D178 PolarHBondContact N-OD1 2.82Å
160V75Confident76.3Confident6 Ų644 Ų444%0.03623%0.232CC..Hα-helixtrans-72.7-41-178-176.80000111.8Y23 Y151 R157 S158 R163 L164 L168 I371 L375Y23-V160 HydrophobicContact CD2-CG1 3.95Å; Y23-V160 HydrophobicContact CE2-CB 4.49Å; Y23-V160 HydrophobicContact CE2-CG1 3.71Å; Y23-V160 HydrophobicContact CE2-CG2 4.03Å; Y151-V160 HydrophobicContact CE2-CB 4.14Å; Y151-V160 HydrophobicContact CE2-CG2 4.19Å; Y151-V160 PolarHBondContact OH-N 2.91Å; R157-V160 HydrophobicContact CB-CG2 4.47Å; S158-V160 VanDerWaalsContact C-N 3.29Å; S158-V160 PolarHBondContact O-N 2.65Å; V160-R163 PolarHBondContact O-N 2.83Å; V160-L164 HydrophobicContact CG1-CD1 4.26Å; V160-L164 PolarHBondContact O-N 3.34Å; V160-L164 VanDerWaalsContact O-N 3.07Å; V160-L168 HydrophobicContact CG1-CD1 4.5Å; V160-I371 HydrophobicContact CG1-CD1 4.13Å; V160-L375 HydrophobicContact CB-CD2 4.43Å; V160-L375 HydrophobicContact CG1-CD2 4.3Å; V160-L375 HydrophobicContact CG2-CD2 4.14Å
161F72.4Confident76Confident5 Ų539 Ų392%0.02221%0.211CC..Hα-helixtrans-81.1-28.4-176.4-65.3-103.6000112.2Y151 R163 L164 Q165 L168 I172 P177 D178 L305 L375Y151-F161 HydrophobicContact CD2-CD2 4.33Å; Y151-F161 AromaticContact CD2-CE2 3.8Å; Y151-F161 HydrophobicContact CD2-CE2 3.8Å; Y151-F161 AromaticContact CE1-CD2 3.96Å; Y151-F161 HydrophobicContact CE1-CD2 3.96Å; Y151-F161 HydrophobicContact CE1-CE2 4.29Å; Y151-F161 AromaticContact CE2-CD2 3.65Å; Y151-F161 HydrophobicContact CE2-CD2 3.65Å; Y151-F161 AromaticContact CE2-CE2 3.49Å; Y151-F161 HydrophobicContact CE2-CE2 3.49Å; Y151-F161 VanDerWaalsContact CE2-CE2 3.49Å; Y151-F161 HydrophobicContact CG-CE2 4.34Å; Y151-F161 AromaticContact CZ-CD2 3.44Å; Y151-F161 VanDerWaalsContact CZ-CD2 3.44Å; Y151-F161 AromaticContact CZ-CE2 3.78Å; F161-R163 PolarHBondContact O-N 2.8Å; F161-L164 PolarHBondContact O-N 3.33Å; F161-Q165 VanDerWaalsContact O-CA 3.3Å; F161-Q165 WeakPolarHBondContact O-CA 3.28Å; F161-Q165 VanDerWaalsContact O-CB 3.28Å; F161-Q165 WeakPolarHBondContact O-CB 3.3Å; F161-Q165 PolarHBondContact O-N 2.88Å; F161-L168 HydrophobicContact CB-CD1 4.29Å; F161-L168 HydrophobicContact CD1-CB 3.5Å; F161-L168 VanDerWaalsContact CD1-CB 3.5Å; F161-L168 HydrophobicContact CD1-CD1 3.26Å; F161-L168 HydrophobicContact CD1-CD2 4.22Å; F161-L168 HydrophobicContact CD1-CG 3.82Å; F161-L168 HydrophobicContact CD2-CD1 4.33Å; F161-L168 HydrophobicContact CE1-CB 3.67Å; F161-L168 HydrophobicContact CE1-CD1 3.51Å; F161-L168 HydrophobicContact CE1-CD2 3.66Å; F161-L168 HydrophobicContact CE1-CG 3.8Å; F161-L168 HydrophobicContact CG-CD1 3.7Å; F161-L168 HydrophobicContact CZ-CD1 4.16Å; F161-L168 HydrophobicContact CZ-CD2 4.26Å; F161-I172 HydrophobicContact CD1-CD1 3.44Å; F161-I172 VanDerWaalsContact CD1-CD1 3.44Å; F161-I172 HydrophobicContact CD1-CG1 4.12Å; F161-I172 HydrophobicContact CE1-CB 4.41Å; F161-I172 HydrophobicContact CE1-CD1 3.2Å; F161-I172 HydrophobicContact CE1-CG1 3.64Å; F161-I172 HydrophobicContact CE1-CG2 3.91Å; F161-I172 HydrophobicContact CG-CD1 4.45Å; F161-I172 HydrophobicContact CZ-CD1 4.04Å; F161-I172 HydrophobicContact CZ-CG2 4.21Å; F161-P177 HydrophobicContact CB-CG 3.45Å; F161-P177 VanDerWaalsContact CB-CG 3.45Å; F161-P177 HydrophobicContact CD1-CG 3.54Å; F161-P177 HydrophobicContact CD2-CB 4.46Å; F161-P177 HydrophobicContact CD2-CG 3.55Å; F161-P177 HydrophobicContact CE1-CG 4.17Å; F161-P177 HydrophobicContact CE2-CG 4.16Å; F161-P177 HydrophobicContact CG-CB 4.49Å; F161-P177 HydrophobicContact CG-CG 3.22Å; F161-P177 HydrophobicContact CZ-CG 4.45Å; F161-D178 WeakPolarHBondContact CA-OD2 3.49Å; F161-D178 WeakPolarHBondContact CB-OD2 3.41Å; F161-D178 PolarHBondContact N-OD2 3.4Å; F161-D178 VanDerWaalsContact N-OD2 3.15Å; F161-L305 HydrophobicContact CE2-CD1 3.81Å; F161-L305 HydrophobicContact CZ-CD1 3.79Å; F161-L305 HydrophobicContact CZ-CD2 4.31Å; F161-L375 HydrophobicContact CE2-CD1 3.92Å; F161-L375 HydrophobicContact CZ-CD1 3.79Å
162T68.3Low76Confident85 Ų8539.3 Ų39.352%0.52121%0.212SC..Hα-helixtrans-53.9-33.9166.2-51.70000111.9D178T162-D178 PolarHBondContact N-OD2 3.07Å; T162-D178 PolarHBondContact OG1-OD2 3.44Å
163R66.4Low76Confident41 Ų4141.3 Ų41.316%0.15522%0.222CC..Hα-helixtrans-80.6-53.1177-165.6176.178.7-133.66.6111.5I2 P22 Y45 V160 F161I2-R163 HydrophobicContact CD1-CG 4Å; I2-R163 WeakPolarHBondContact CD1-O 3.38Å; P22-R163 PolarHBondContact O-NH2 3.15Å; Y45-R163 VanDerWaalsContact OH-CZ 3.31Å; Y45-R163 PolarHBondContact OH-NE 2.99Å; Y45-R163 PolarHBondContact OH-NH2 2.83Å; V160-R163 PolarHBondContact O-N 2.83Å; F161-R163 PolarHBondContact O-N 2.8Å
164L67.8Low75.8Confident1 Ų141.6 Ų41.61%0.00522%0.223CC..SBendtrans-103.632.5-166.5-58.8171.4000113.4I2 Y23 P44 V160 F161 E166 E167 L168 I371I2-L164 HydrophobicContact CD1-CD2 4.07Å; Y23-L164 HydrophobicContact CD2-CD1 3.95Å; P44-L164 HydrophobicContact CG-CD2 3.34Å; V160-L164 HydrophobicContact CG1-CD1 4.26Å; V160-L164 PolarHBondContact O-N 3.34Å; V160-L164 VanDerWaalsContact O-N 3.07Å; F161-L164 PolarHBondContact O-N 3.33Å; L164-E166 PolarHBondContact O-N 3.43Å; L164-E167 PolarHBondContact O-N 3.09Å; L164-L168 HydrophobicContact CB-CD1 3.56Å; L164-L168 HydrophobicContact CB-CG 4.16Å; L164-L168 WeakPolarHBondContact O-CB 3.36Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.14Å; L164-I371 HydrophobicContact CD1-CD1 3.35Å
165Q64.5Low75.5Confident85 Ų8548.7 Ų48.740%0.39725%0.254SS..Hα-helixtrans-59.7-40.1-167.8-167.416320.700114F161 S169 Q175 N176F161-Q165 VanDerWaalsContact O-CA 3.3Å; F161-Q165 WeakPolarHBondContact O-CA 3.28Å; F161-Q165 VanDerWaalsContact O-CB 3.28Å; F161-Q165 WeakPolarHBondContact O-CB 3.3Å; F161-Q165 PolarHBondContact O-N 2.88Å; Q165-S169 PolarHBondContact O-N 2.97Å; Q165-S169 VanDerWaalsContact O-N 3.16Å; Q165-Q175 PolarHBondContact NE2-O 3.3Å; Q165-N176 PolarHBondContact NE2-OD1 2.99Å
166E64.7Low75.4Confident133 Ų13350.7 Ų50.762%0.62126%0.262SS*.Hα-helixtrans-64.9-39-178.3-63.6177.414800112.3M1 L164 S169M1-E166 PolarHBondContact N-OE2 3.25Å; L164-E166 PolarHBondContact O-N 3.43Å; E166-S169 PolarHBondContact O-OG 3.49Å
167E63.3Low75.3Confident35 Ų3547.1 Ų47.116%0.16425%0.245CC..Hα-helixtrans-81.9-34-179.8-56.3-171.7141.800112.1K43 P44 L164 S169K43-E167 VanDerWaalsContact CE-OE1 3.31Å; K43-E167 WeakPolarHBondContact CE-OE1 3.12Å; K43-E167 WeakPolarHBondContact CG-OE1 3.47Å; P44-E167 HydrophobicContact CB-CG 4.08Å; P44-E167 WeakPolarHBondContact CB-OE1 3.45Å; P44-E167 WeakPolarHBondContact CD-OE1 3.39Å; P44-E167 VanDerWaalsContact CD-OE2 3.32Å; P44-E167 WeakPolarHBondContact CD-OE2 3.33Å; P44-E167 HydrophobicContact CG-CG 4.3Å; P44-E167 WeakPolarHBondContact CG-OE2 2.9Å; L164-E167 PolarHBondContact O-N 3.09Å; E167-S169 VanDerWaalsContact C-N 3.33Å
168L66.2Low75.2Confident4 Ų444.3 Ų44.32%0.02124%0.235CC..Hα-helixtrans-77.8-17.8-176.6-74.7167.6000113.1V160 F161 L164 D170 V171 I172 I371V160-L168 HydrophobicContact CG1-CD1 4.5Å; F161-L168 HydrophobicContact CB-CD1 4.29Å; F161-L168 HydrophobicContact CD1-CB 3.5Å; F161-L168 VanDerWaalsContact CD1-CB 3.5Å; F161-L168 HydrophobicContact CD1-CD1 3.26Å; F161-L168 HydrophobicContact CD1-CD2 4.22Å; F161-L168 HydrophobicContact CD1-CG 3.82Å; F161-L168 HydrophobicContact CD2-CD1 4.33Å; F161-L168 HydrophobicContact CE1-CB 3.67Å; F161-L168 HydrophobicContact CE1-CD1 3.51Å; F161-L168 HydrophobicContact CE1-CD2 3.66Å; F161-L168 HydrophobicContact CE1-CG 3.8Å; F161-L168 HydrophobicContact CG-CD1 3.7Å; F161-L168 HydrophobicContact CZ-CD1 4.16Å; F161-L168 HydrophobicContact CZ-CD2 4.26Å; L164-L168 HydrophobicContact CB-CD1 3.56Å; L164-L168 HydrophobicContact CB-CG 4.16Å; L164-L168 WeakPolarHBondContact O-CB 3.36Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.14Å; L168-D170 PolarHBondContact O-N 2.93Å; L168-V171 HydrophobicContact CD2-CB 4.19Å; L168-V171 HydrophobicContact CD2-CG2 4.16Å; L168-V171 WeakPolarHBondContact O-CB 3.08Å; L168-V171 PolarHBondContact O-N 3.46Å; L168-I172 VanDerWaalsContact O-CG1 3.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.17Å; L168-I172 PolarHBondContact O-N 3.4Å; L168-I371 HydrophobicContact CD1-CD1 3.95Å; L168-I371 HydrophobicContact CD2-CB 4.38Å; L168-I371 HydrophobicContact CD2-CD1 3.96Å; L168-I371 HydrophobicContact CD2-CG1 4.23Å; L168-I371 HydrophobicContact CD2-CG2 3.38Å; L168-I371 HydrophobicContact CG-CD1 4.3Å
169S69.3Low75.4Confident77 Ų7752.7 Ų52.754%0.53826%0.262SS..THydrogen-bonded Turntrans-61.4-27.6173.658.70000113.3Q165 E166 E167 V171Q165-S169 PolarHBondContact O-N 2.97Å; Q165-S169 VanDerWaalsContact O-N 3.16Å; E166-S169 PolarHBondContact O-OG 3.49Å; E167-S169 VanDerWaalsContact C-N 3.33Å; S169-V171 VanDerWaalsContact C-N 3.32Å
170D75.4Confident76Confident110 Ų11052.4 Ų52.459%0.58826%0.258SS*.THydrogen-bonded Turntrans-83.9-7.3175.3-70.7-20.2000113.1L168 R296L168-D170 PolarHBondContact O-N 2.93Å; D170-R296 PolarHBondContact O-NH1 2.66Å; D170-R296 PolarHBondContact O-NH2 2.63Å
171V81.2Confident76.7Confident1 Ų154.5 Ų54.51%0.00627%0.271CS..THydrogen-bonded Turntrans-102.7-44.6-177.7-1750000112.1L168 S169 C303 P368 L372L168-V171 HydrophobicContact CD2-CB 4.19Å; L168-V171 HydrophobicContact CD2-CG2 4.16Å; L168-V171 WeakPolarHBondContact O-CB 3.08Å; L168-V171 PolarHBondContact O-N 3.46Å; S169-V171 VanDerWaalsContact C-N 3.32Å; V171-C303 PolarHBondContact O-SG 3.22Å; V171-C303 VanDerWaalsContact O-SG 3.4Å; V171-P368 HydrophobicContact CG2-CB 3.67Å; V171-P368 WeakPolarHBondContact CG2-O 3.36Å; V171-L372 HydrophobicContact CG1-CD1 3.81Å; V171-L372 HydrophobicContact CG1-CD2 3.95Å; V171-L372 HydrophobicContact CG1-CG 3.82Å
172I87.9Confident77.4Confident7 Ų755.8 Ų55.84%0.03629%0.285CS..  trans-117.3147-173.761.5152.9000111.9F161 L168 I174 P177 C303 L305F161-I172 HydrophobicContact CD1-CD1 3.44Å; F161-I172 VanDerWaalsContact CD1-CD1 3.44Å; F161-I172 HydrophobicContact CD1-CG1 4.12Å; F161-I172 HydrophobicContact CE1-CB 4.41Å; F161-I172 HydrophobicContact CE1-CD1 3.2Å; F161-I172 HydrophobicContact CE1-CG1 3.64Å; F161-I172 HydrophobicContact CE1-CG2 3.91Å; F161-I172 HydrophobicContact CG-CD1 4.45Å; F161-I172 HydrophobicContact CZ-CD1 4.04Å; F161-I172 HydrophobicContact CZ-CG2 4.21Å; L168-I172 VanDerWaalsContact O-CG1 3.22Å; L168-I172 WeakPolarHBondContact O-CG1 3.17Å; L168-I172 PolarHBondContact O-N 3.4Å; I172-I174 HydrophobicContact CD1-CB 4.18Å; I172-I174 WeakPolarHBondContact CD1-O 3.13Å; I172-I174 PolarHBondContact O-N 2.99Å; I172-P177 HydrophobicContact CD1-CB 4.21Å; I172-P177 HydrophobicContact CD1-CG 3.69Å; I172-C303 WeakPolarHBondContact CA-O 3.49Å; I172-C303 WeakPolarHBondContact CB-O 3.43Å; I172-L305 HydrophobicContact CD1-CD1 4.4Å; I172-L305 HydrophobicContact CG2-CD2 4.4Å
173D89.2Confident78.4Confident49 Ų4956.4 Ų56.426%0.26229%0.293SS..SBendtrans-82.62.7179.7-67.3-27.2000112.8K297 C303 W304 R321D173-K297 IonicContact OD1-NZ 3.55Å; D173-K297 PolarHBondContact OD1-NZ 3.3Å; D173-K297 IonicContact OD2-NZ 2.65Å; D173-C303 PolarHBondContact N-O 3.47Å; D173-C303 PolarHBondContact OD1-SG 3.04Å; D173-C303 PolarHBondContact OD2-SG 2.92Å; D173-W304 HydrophobicContact CB-CD2 3.98Å; D173-W304 HydrophobicContact CB-CG 4.43Å; D173-W304 HydrophobicContact CB-CH2 4.08Å; D173-W304 HydrophobicContact CB-CZ2 3.35Å; D173-W304 VanDerWaalsContact CB-NE1 3.27Å; D173-W304 PolarHBondContact OD2-NE1 3.39Å; D173-R321 IonicContact OD2-NH2 3.65Å; D173-R321 PolarHBondContact OD2-NH2 3.06Å
174I87.1Confident79.6Confident7 Ų758 Ų584%0.03630%0.302CS..  trans-107116.3-177.9-60.9162.2000111I172 N176 P177 R185 W304I172-I174 HydrophobicContact CD1-CB 4.18Å; I172-I174 WeakPolarHBondContact CD1-O 3.13Å; I172-I174 PolarHBondContact O-N 2.99Å; I174-N176 VanDerWaalsContact C-N 3.31Å; I174-N176 PolarHBondContact O-N 3.16Å; I174-P177 HydrophobicContact CG2-CB 4.13Å; I174-R185 HydrophobicContact CD1-CB 3.98Å; I174-R185 HydrophobicContact CD1-CG 3.64Å; I174-W304 VanDerWaalsContact CD1-C 3.44Å; I174-W304 HydrophobicContact CD1-CB 4.32Å; I174-W304 HydrophobicContact CD1-CE3 3.83Å; I174-W304 WeakPolarHBondContact CD1-O 3.29Å; I174-W304 HydrophobicContact CG1-CD2 4.16Å; I174-W304 HydrophobicContact CG1-CE3 3.38Å; I174-W304 HydrophobicContact CG1-CZ3 3.69Å
175Q79.1Confident80.9Confident158 Ų15858.1 Ų58.174%0.73830%0.303SS*.SBendtrans-56-37178.2-64.4171.7-9.500114.8Q165Q165-Q175 PolarHBondContact NE2-O 3.3Å
176N82.3Confident82.2Confident75 Ų7557.3 Ų57.340%0.40130%0.296SS..  trans-14575.4-172.9-80.2-65.7000111.6Q165 I174 D178 R179 T180Q165-N176 PolarHBondContact NE2-OD1 2.99Å; I174-N176 VanDerWaalsContact C-N 3.31Å; I174-N176 PolarHBondContact O-N 3.16Å; N176-D178 PolarHBondContact O-N 3.3Å; N176-R179 PolarHBondContact O-N 2.9Å; N176-T180 WeakPolarHBondContact O-CB 3.18Å; N176-T180 PolarHBondContact O-N 2.75Å; N176-T180 PolarHBondContact O-OG1 2.83Å
177P82.9Confident83.7Confident3 Ų357.5 Ų57.52%0.01929%0.291CS..THydrogen-bonded Turntrans-71.5-30.3-172.328.9-35.7000113.7Y151 F161 I172 I174 R179 T180 R185 L305Y151-P177 HydrophobicContact CD1-CB 4.46Å; F161-P177 HydrophobicContact CB-CG 3.45Å; F161-P177 VanDerWaalsContact CB-CG 3.45Å; F161-P177 HydrophobicContact CD1-CG 3.54Å; F161-P177 HydrophobicContact CD2-CB 4.46Å; F161-P177 HydrophobicContact CD2-CG 3.55Å; F161-P177 HydrophobicContact CE1-CG 4.17Å; F161-P177 HydrophobicContact CE2-CG 4.16Å; F161-P177 HydrophobicContact CG-CB 4.49Å; F161-P177 HydrophobicContact CG-CG 3.22Å; F161-P177 HydrophobicContact CZ-CG 4.45Å; I172-P177 HydrophobicContact CD1-CB 4.21Å; I172-P177 HydrophobicContact CD1-CG 3.69Å; I174-P177 HydrophobicContact CG2-CB 4.13Å; P177-R179 PolarHBondContact O-N 3.23Å; P177-T180 PolarHBondContact O-N 3.31Å; P177-R185 PolarHBondContact O-NH2 3.28Å; P177-L305 HydrophobicContact CB-CD1 3.42Å; P177-L305 VanDerWaalsContact CB-CD1 3.42Å; P177-L305 HydrophobicContact CG-CD1 4.08Å
178D83.4Confident85.2Confident5 Ų559.4 Ų59.43%0.02730%0.299CS..THydrogen-bonded Turntrans-63.6-22.2175.6-80-57.6000113.4L148 Q149 Y151 G159 F161 T162 N176L148-D178 HydrophobicContact CD1-CB 4.31Å; L148-D178 HydrophobicContact CD2-CB 4.3Å; Q149-D178 PolarHBondContact N-O 3.05Å; Y151-D178 WeakPolarHBondContact CE1-OD1 3.11Å; Y151-D178 VanDerWaalsContact CZ-OD1 3.31Å; Y151-D178 VanDerWaalsContact OH-CG 3.26Å; Y151-D178 PolarHBondContact OH-OD1 3.03Å; Y151-D178 PolarHBondContact OH-OD2 3.07Å; G159-D178 WeakPolarHBondContact CA-OD1 3.35Å; G159-D178 PolarHBondContact N-OD1 2.82Å; F161-D178 WeakPolarHBondContact CA-OD2 3.49Å; F161-D178 WeakPolarHBondContact CB-OD2 3.41Å; F161-D178 PolarHBondContact N-OD2 3.4Å; F161-D178 VanDerWaalsContact N-OD2 3.15Å; T162-D178 PolarHBondContact N-OD2 3.07Å; T162-D178 PolarHBondContact OG1-OD2 3.44Å; N176-D178 PolarHBondContact O-N 3.3Å
179R84.1Confident86.6Confident207 Ų20759.7 Ų59.778%0.78130%0.299SS*.THydrogen-bonded Turntrans-112.8-15.2178.3-64.6-175178.1-172.20.6114.4N176 P177N176-R179 PolarHBondContact O-N 2.9Å; P177-R179 PolarHBondContact O-N 3.23Å
180T85.8Confident87.8Confident7 Ų759 Ų594%0.04329%0.289CS..SBendtrans-88.6120.7-178.1-56.30000110.7N176 P177 E184 R185 K188N176-T180 WeakPolarHBondContact O-CB 3.18Å; N176-T180 PolarHBondContact O-N 2.75Å; N176-T180 PolarHBondContact O-OG1 2.83Å; P177-T180 PolarHBondContact O-N 3.31Å; T180-E184 HydrophobicContact CG2-CB 3.59Å; T180-R185 HydrophobicContact CG2-CG 3.77Å; T180-R185 PolarHBondContact O-NE 3.48Å; T180-R185 PolarHBondContact O-NH2 3.24Å; T180-K188 HydrophobicContact CG2-CD 4.47Å
181T89.2Confident88.8Confident50 Ų5057.9 Ų57.931%0.30728%0.284SS..  trans-69155.1179.9660000112.1S183 E184 R185T181-S183 VanDerWaalsContact C-N 3.26Å; T181-S183 PolarHBondContact O-N 3.16Å; T181-S183 VanDerWaalsContact O-N 3.16Å; T181-E184 WeakPolarHBondContact CB-OE2 3.29Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.4Å; T181-E184 PolarHBondContact N-OE2 2.94Å; T181-E184 WeakPolarHBondContact O-CB 3.4Å; T181-E184 PolarHBondContact O-N 3.42Å; T181-E184 VanDerWaalsContact OG1-CD 3.28Å; T181-E184 VanDerWaalsContact OG1-CG 3.28Å; T181-E184 WeakPolarHBondContact OG1-CG 3.44Å; T181-E184 PolarHBondContact OG1-OE2 3.08Å; T181-R185 WeakPolarHBondContact O-CG 3.38Å; T181-R185 PolarHBondContact O-N 3.13Å
182G86.9Confident89.5Confident31 Ų3159.5 Ų59.532%0.3230%0.297SS..Hα-helixtrans-54.6-36.8-178.300000114.6R185 R186G182-R185 PolarHBondContact O-N 2.86Å; G182-R186 PolarHBondContact O-N 3.39Å; G182-R186 VanDerWaalsContact O-N 3.12Å
183S89.8Confident89.9Confident99 Ų9959.2 Ų59.269%0.69230%0.295SS*.Hα-helixtrans-67.9-36.7175.8-54.20000112.7T181 R187T181-S183 VanDerWaalsContact C-N 3.26Å; T181-S183 PolarHBondContact O-N 3.16Å; T181-S183 VanDerWaalsContact O-N 3.16Å; S183-R187 PolarHBondContact O-N 3.28Å
184E92.3Very high90.3Very high73 Ų7360.9 Ų60.934%0.34131%0.308SS..Hα-helixtrans-73.1-35.1175.3-67.7168.4122.600112.1T180 T181 R187 K188T180-E184 HydrophobicContact CG2-CB 3.59Å; T181-E184 WeakPolarHBondContact CB-OE2 3.29Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.4Å; T181-E184 PolarHBondContact N-OE2 2.94Å; T181-E184 WeakPolarHBondContact O-CB 3.4Å; T181-E184 PolarHBondContact O-N 3.42Å; T181-E184 VanDerWaalsContact OG1-CD 3.28Å; T181-E184 VanDerWaalsContact OG1-CG 3.28Å; T181-E184 WeakPolarHBondContact OG1-CG 3.44Å; T181-E184 PolarHBondContact OG1-OE2 3.08Å; E184-R187 PolarHBondContact O-N 3.11Å; E184-K188 WeakPolarHBondContact O-CB 3.48Å; E184-K188 WeakPolarHBondContact O-CG 3.36Å; E184-K188 PolarHBondContact O-N 2.96Å
185R93.6Very high90.8Very high5 Ų565.6 Ų65.62%0.01934%0.341CS..Hα-helixtrans-57.3-51.7171.8-62-177.1-165.1163.60.4109.8K150 I174 P177 T180 T181 G182 R187 K188 R189 L305K150-R185 PolarHBondContact O-NH1 3.3Å; K150-R185 VanDerWaalsContact O-NH1 3.13Å; K150-R185 PolarHBondContact O-NH2 2.99Å; K150-R185 VanDerWaalsContact O-NH2 3.15Å; I174-R185 HydrophobicContact CD1-CB 3.98Å; I174-R185 HydrophobicContact CD1-CG 3.64Å; P177-R185 PolarHBondContact O-NH2 3.28Å; T180-R185 HydrophobicContact CG2-CG 3.77Å; T180-R185 PolarHBondContact O-NE 3.48Å; T180-R185 PolarHBondContact O-NH2 3.24Å; T181-R185 WeakPolarHBondContact O-CG 3.38Å; T181-R185 PolarHBondContact O-N 3.13Å; G182-R185 PolarHBondContact O-N 2.86Å; R185-R187 PolarHBondContact O-N 3.18Å; R185-K188 PolarHBondContact O-N 3.02Å; R185-R189 WeakPolarHBondContact O-CB 3.47Å; R185-R189 PolarHBondContact O-N 2.85Å; R185-L305 PolarHBondContact NH1-O 2.85Å
186R93.4Very high91.6Very high67 Ų6762.1 Ų62.125%0.25333%0.327SS..Hα-helixtrans-57.3-48.4175.7175.7175.3-69.5-169.3-5.1112.6G182 R189 L190 E306 E313G182-R186 PolarHBondContact O-N 3.39Å; G182-R186 VanDerWaalsContact O-N 3.12Å; R186-R189 WeakPolarHBondContact O-CB 3.39Å; R186-R189 PolarHBondContact O-N 3.04Å; R186-L190 HydrophobicContact CG-CD1 4.12Å; R186-L190 WeakPolarHBondContact O-CG 3.13Å; R186-L190 PolarHBondContact O-N 2.84Å; R186-E306 IonicContact CZ-OE1 3.56Å; R186-E306 IonicContact NE-OE1 3.55Å; R186-E306 PolarHBondContact NE-OE1 2.92Å; R186-E306 IonicContact NH2-OE1 2.77Å; R186-E306 PolarHBondContact NH2-OE1 3.43Å; R186-E313 IonicContact CZ-OE1 2.78Å; R186-E313 IonicContact CZ-OE2 3.69Å; R186-E313 IonicContact NH1-OE1 3.91Å; R186-E313 PolarHBondContact NH1-OE1 3Å; R186-E313 IonicContact NH1-OE2 3.82Å; R186-E313 IonicContact NH2-OE1 3.99Å; R186-E313 IonicContact NH2-OE2 3.79Å; R186-E313 PolarHBondContact NH2-OE2 2.96Å
187R94.9Very high92.4Very high137 Ų13759.9 Ų59.952%0.51731%0.314SS..Hα-helixtrans-60.5-52.5-179.6-177.5174.263.781.6-8.3111.4S183 E184 R185 R189 L190 D191S183-R187 PolarHBondContact O-N 3.28Å; E184-R187 PolarHBondContact O-N 3.11Å; R185-R187 PolarHBondContact O-N 3.18Å; R187-R189 PolarHBondContact O-N 2.95Å; R187-L190 PolarHBondContact O-N 3.43Å; R187-L190 VanDerWaalsContact O-N 3.16Å; R187-D191 IonicContact NH1-OD2 3.84Å; R187-D191 PolarHBondContact NH1-OD2 3.27Å; R187-D191 PolarHBondContact O-N 3.47Å
188K95.1Very high93.1Very high76 Ų7661.9 Ų61.933%0.3333%0.327SS..Hα-helixtrans-59.3-35.5177.8-71.6176.8179.5-179.40112.2T180 E184 R185 A192 W304T180-K188 HydrophobicContact CG2-CD 4.47Å; E184-K188 WeakPolarHBondContact O-CB 3.48Å; E184-K188 WeakPolarHBondContact O-CG 3.36Å; E184-K188 PolarHBondContact O-N 2.96Å; R185-K188 PolarHBondContact O-N 3.02Å; K188-A192 VanDerWaalsContact O-CB 3.28Å; K188-A192 WeakPolarHBondContact O-CB 3.48Å; K188-A192 PolarHBondContact O-N 3.22Å; K188-W304 VanDerWaalsContact C-CH2 3.49Å; K188-W304 HydrophobicContact CB-CH2 3.94Å; K188-W304 HydrophobicContact CB-CZ3 3.5Å; K188-W304 WeakPolarHBondContact O-CH2 3.38Å
189R95.4Very high93.7Very high9 Ų964 Ų643%0.03434%0.341CS..Hα-helixtrans-62.1-50.8174.1-176.1176.462.976.3-2.1111.8R185 R186 R187 A192 E193 W304 E306 S317R185-R189 WeakPolarHBondContact O-CB 3.47Å; R185-R189 PolarHBondContact O-N 2.85Å; R186-R189 WeakPolarHBondContact O-CB 3.39Å; R186-R189 PolarHBondContact O-N 3.04Å; R187-R189 PolarHBondContact O-N 2.95Å; R189-A192 PolarHBondContact O-N 3.26Å; R189-E193 WeakPolarHBondContact CD-OE1 3.22Å; R189-E193 HydrophobicContact CG-CG 4.29Å; R189-E193 WeakPolarHBondContact CG-OE1 3.27Å; R189-E193 IonicContact CZ-OE1 2.71Å; R189-E193 IonicContact NE-OE1 2.68Å; R189-E193 IonicContact NH1-OE1 3.19Å; R189-E193 PolarHBondContact NH1-OE1 3.08Å; R189-E193 IonicContact NH1-OE2 2.74Å; R189-E193 PolarHBondContact NH1-OE2 3.09Å; R189-E193 WeakPolarHBondContact O-CB 3.28Å; R189-E193 WeakPolarHBondContact O-CG 3.39Å; R189-E193 PolarHBondContact O-N 3.4Å; R189-W304 HydrophobicContact CB-CD2 3.47Å; R189-W304 VanDerWaalsContact CB-CD2 3.47Å; R189-W304 HydrophobicContact CB-CE3 3.64Å; R189-W304 HydrophobicContact CB-CG 3.89Å; R189-W304 HydrophobicContact CB-CH2 4.4Å; R189-W304 HydrophobicContact CB-CZ2 4.23Å; R189-W304 HydrophobicContact CB-CZ3 4.14Å; R189-W304 HydrophobicContact CG-CD2 3.74Å; R189-W304 HydrophobicContact CG-CE3 4.42Å; R189-W304 HydrophobicContact CG-CG 3.75Å; R189-W304 HydrophobicContact CG-CZ2 4.45Å; R189-W304 VanDerWaalsContact N-CZ3 3.34Å; R189-E306 IonicContact CZ-OE2 3.14Å; R189-E306 VanDerWaalsContact CZ-OE2 3.25Å; R189-E306 IonicContact NE-OE2 3.56Å; R189-E306 PolarHBondContact NE-OE2 2.97Å; R189-E306 IonicContact NH2-OE1 3.9Å; R189-E306 IonicContact NH2-OE2 3.65Å; R189-E306 PolarHBondContact NH2-OE2 2.96Å; R189-S317 PolarHBondContact NH1-OG 3.42Å; R189-S317 PolarHBondContact NH2-OG 3.31Å
190L96Very high94.3Very high62 Ų6260.2 Ų60.233%0.32534%0.336SS..Hα-helixtrans-61.8-44.7179.3-68.2171.1000111.1R186 R187 A192 E193 T194 R320R186-L190 HydrophobicContact CG-CD1 4.12Å; R186-L190 WeakPolarHBondContact O-CG 3.13Å; R186-L190 PolarHBondContact O-N 2.84Å; R187-L190 PolarHBondContact O-N 3.43Å; R187-L190 VanDerWaalsContact O-N 3.16Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.4Å; L190-E193 PolarHBondContact O-N 3.15Å; L190-T194 WeakPolarHBondContact O-CB 3.49Å; L190-T194 PolarHBondContact O-N 3.13Å; L190-T194 PolarHBondContact O-OG1 2.86Å; L190-T194 VanDerWaalsContact O-OG1 3.12Å; L190-R320 PolarHBondContact O-NH2 2.85Å
191D95.8Very high94.8Very high88 Ų8862.5 Ų62.547%0.47135%0.347SS..Hα-helixtrans-57-45.6175.6-62.2-22.9000111R187 S195R187-D191 IonicContact NH1-OD2 3.84Å; R187-D191 PolarHBondContact NH1-OD2 3.27Å; R187-D191 PolarHBondContact O-N 3.47Å; D191-S195 WeakPolarHBondContact O-CB 3.39Å; D191-S195 PolarHBondContact O-N 3.3Å
192A95.8Very high95.2Very high35 Ų3560.1 Ų60.129%0.28933%0.332SS..Hα-helixtrans-69.5-41.9179.100000113.5K188 R189 L190 S195 I196 W304K188-A192 VanDerWaalsContact O-CB 3.28Å; K188-A192 WeakPolarHBondContact O-CB 3.48Å; K188-A192 PolarHBondContact O-N 3.22Å; R189-A192 PolarHBondContact O-N 3.26Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.4Å; A192-S195 PolarHBondContact O-N 2.66Å; A192-I196 WeakPolarHBondContact O-CG2 3.49Å; A192-I196 PolarHBondContact O-N 3.4Å; A192-W304 HydrophobicContact CB-CH2 4.11Å; A192-W304 HydrophobicContact CB-CZ2 3.81Å
193E96.8Very high95.7Very high0 Ų060.2 Ų60.20%033%0.325CS..Hα-helixtrans-63.6-43.7176.5-78.1168.5-170.700111.7R189 L190 S195 I196 F197 R320 R321 C324 Y325R189-E193 WeakPolarHBondContact CD-OE1 3.22Å; R189-E193 HydrophobicContact CG-CG 4.29Å; R189-E193 WeakPolarHBondContact CG-OE1 3.27Å; R189-E193 IonicContact CZ-OE1 2.71Å; R189-E193 IonicContact NE-OE1 2.68Å; R189-E193 IonicContact NH1-OE1 3.19Å; R189-E193 PolarHBondContact NH1-OE1 3.08Å; R189-E193 IonicContact NH1-OE2 2.74Å; R189-E193 PolarHBondContact NH1-OE2 3.09Å; R189-E193 WeakPolarHBondContact O-CB 3.28Å; R189-E193 WeakPolarHBondContact O-CG 3.39Å; R189-E193 PolarHBondContact O-N 3.4Å; L190-E193 PolarHBondContact O-N 3.15Å; E193-S195 VanDerWaalsContact C-N 3.29Å; E193-S195 PolarHBondContact O-N 2.99Å; E193-I196 PolarHBondContact O-N 3.01Å; E193-F197 WeakPolarHBondContact O-CB 3.4Å; E193-F197 PolarHBondContact O-N 3.47Å; E193-R320 VanDerWaalsContact CB-NH2 3.33Å; E193-R320 IonicContact OE2-CZ 3.18Å; E193-R320 IonicContact OE2-NE 3.68Å; E193-R320 PolarHBondContact OE2-NE 3.13Å; E193-R320 IonicContact OE2-NH2 2.77Å; E193-R321 HydrophobicContact CG-CG 4.38Å; E193-R321 WeakPolarHBondContact OE1-CD 3.41Å; E193-R321 WeakPolarHBondContact OE1-CG 3.41Å; E193-R321 IonicContact OE1-CZ 2.77Å; E193-R321 IonicContact OE1-NE 2.74Å; E193-R321 IonicContact OE1-NH1 2.99Å; E193-R321 PolarHBondContact OE1-NH1 3.02Å; E193-C324 PolarHBondContact O-SG 3.38Å; E193-C324 VanDerWaalsContact O-SG 3.34Å; E193-Y325 HydrophobicContact CG-CE2 3.99Å
194T96.6Very high96Very high85 Ų8557.5 Ų57.552%0.52131%0.308SS..Hα-helixtrans-66.1-32.7175.4-62.50000111.5L190 R320L190-T194 WeakPolarHBondContact O-CB 3.49Å; L190-T194 PolarHBondContact O-N 3.13Å; L190-T194 PolarHBondContact O-OG1 2.86Å; L190-T194 VanDerWaalsContact O-OG1 3.12Å; T194-R320 PolarHBondContact OG1-NH2 3.48Å
195S97Very high96.2Very high106 Ų10655 Ų5574%0.74130%0.297SS*.Hα-helixtrans-76.4-23177.7-173.60000114.5D191 A192 E193D191-S195 WeakPolarHBondContact O-CB 3.39Å; D191-S195 PolarHBondContact O-N 3.3Å; A192-S195 PolarHBondContact O-N 2.66Å; E193-S195 VanDerWaalsContact C-N 3.29Å; E193-S195 PolarHBondContact O-N 2.99Å
196I97.1Very high96.3Very high84 Ų8456.4 Ų56.443%0.43131%0.305SS..Hα-helixtrans-102.5-16.5-178.7-155175.4000113A192 E193 C198 C324 Y325A192-I196 WeakPolarHBondContact O-CG2 3.49Å; A192-I196 PolarHBondContact O-N 3.4Å; E193-I196 PolarHBondContact O-N 3.01Å; I196-C198 PolarHBondContact O-N 2.96Å; I196-C324 HydrophobicContact CG2-CB 3.85Å; I196-Y325 HydrophobicContact CD1-CD1 4.04Å; I196-Y325 HydrophobicContact CD1-CE1 3.76Å; I196-Y325 HydrophobicContact CG2-CD1 4.42Å; I196-Y325 HydrophobicContact CG2-CE1 3.82Å
197F97.9Very high96.3Very high29 Ų2957.5 Ų57.513%0.12731%0.312CS..  trans-56.3127.5174.4178.4-113.3000110.8E193 P199 Y202 L323 L411 L413 L416E193-F197 WeakPolarHBondContact O-CB 3.4Å; E193-F197 PolarHBondContact O-N 3.47Å; F197-P199 HydrophobicContact CD1-CG 4.27Å; F197-P199 HydrophobicContact CE1-CB 4.5Å; F197-P199 HydrophobicContact CE1-CG 3.93Å; F197-Y202 HydrophobicContact CE2-CD2 4.47Å; F197-Y202 HydrophobicContact CE2-CG 4.18Å; F197-Y202 HydrophobicContact CZ-CD1 4.47Å; F197-Y202 HydrophobicContact CZ-CG 4.16Å; F197-L323 HydrophobicContact CE2-CB 4.37Å; F197-L411 HydrophobicContact CB-CD2 3.97Å; F197-L411 HydrophobicContact CD1-CB 4.46Å; F197-L411 HydrophobicContact CD1-CD2 3.96Å; F197-L411 HydrophobicContact CD2-CD1 3.91Å; F197-L411 HydrophobicContact CD2-CD2 4.25Å; F197-L411 HydrophobicContact CE1-CB 4.22Å; F197-L411 HydrophobicContact CE2-CD1 4.08Å; F197-L411 HydrophobicContact CG-CD1 4.3Å; F197-L411 HydrophobicContact CG-CD2 3.79Å; F197-L411 HydrophobicContact CG-CG 4.49Å; F197-L411 HydrophobicContact CZ-CB 4.3Å; F197-L413 HydrophobicContact CE1-CD2 4.41Å; F197-L413 HydrophobicContact CE2-CD2 4.05Å; F197-L413 HydrophobicContact CZ-CD2 3.55Å; F197-L416 HydrophobicContact CE1-CD1 3.93Å; F197-L416 HydrophobicContact CZ-CD1 4.05Å
198C97.8Very high96.3Very high45 Ų4558.7 Ų58.730%0.30432%0.323SS..  trans-116.7105.6-178.8-178.60000109.2I196 D200 H201 Y202I196-C198 PolarHBondContact O-N 2.96Å; C198-D200 VanDerWaalsContact C-N 3.28Å; C198-D200 PolarHBondContact O-N 3.07Å; C198-H201 HydrophobicContact CB-CB 4.06Å; C198-H201 PolarHBondContact O-N 3.35Å; C198-Y202 PolarHBondContact O-N 3.42Å
199P97.2Very high96.2Very high48 Ų4857.1 Ų57.131%0.31232%0.319SS..Hα-helixtrans-55.8-41.3177.5-27.535.7000112.9F197 H201 Y202 L203 L416F197-P199 HydrophobicContact CD1-CG 4.27Å; F197-P199 HydrophobicContact CE1-CB 4.5Å; F197-P199 HydrophobicContact CE1-CG 3.93Å; P199-H201 PolarHBondContact O-N 3.22Å; P199-Y202 WeakPolarHBondContact O-CB 3.45Å; P199-Y202 PolarHBondContact O-N 2.6Å; P199-L203 VanDerWaalsContact O-CG 3.32Å; P199-L203 WeakPolarHBondContact O-CG 3.15Å; P199-L203 PolarHBondContact O-N 2.99Å; P199-L416 HydrophobicContact CB-CD1 3.99Å; P199-L416 HydrophobicContact CB-CD2 4.1Å; P199-L416 HydrophobicContact CG-CD1 4.4Å
200D96.6Very high96.2Very high128 Ų12865 Ų6568%0.68436%0.355SS*.Hα-helixtrans-64.3-42.9-177-56.5-15.7000111.9C198 L203 A204C198-D200 VanDerWaalsContact C-N 3.28Å; C198-D200 PolarHBondContact O-N 3.07Å; D200-L203 PolarHBondContact O-N 2.94Å; D200-A204 WeakPolarHBondContact O-CB 3.17Å; D200-A204 PolarHBondContact O-N 3Å
201H96.8Very high96.1Very high56 Ų5668.1 Ų68.126%0.25937%0.369SS..Hα-helixtrans-66.8-44.5174.4-167.1157000110.3C198 P199 L203 A204 D205 L327 R329C198-H201 HydrophobicContact CB-CB 4.06Å; C198-H201 PolarHBondContact O-N 3.35Å; P199-H201 PolarHBondContact O-N 3.22Å; H201-L203 VanDerWaalsContact C-N 3.27Å; H201-L203 PolarHBondContact O-N 2.82Å; H201-A204 PolarHBondContact O-N 3.15Å; H201-A204 VanDerWaalsContact O-N 3.17Å; H201-D205 IonicContact CD2-OD1 2.74Å; H201-D205 IonicContact CD2-OD2 3.75Å; H201-D205 PolarHBondContact CD2-OD2 3.49Å; H201-D205 IonicContact NE2-OD1 3.56Å; H201-D205 IonicContact NE2-OD2 2.6Å; H201-D205 PolarHBondContact NE2-OD2 2.63Å; H201-D205 PolarHBondContact O-N 3.33Å; H201-L327 PolarHBondContact NE2-O 2.83Å; H201-L327 VanDerWaalsContact NE2-O 3.11Å; H201-R329 VanDerWaalsContact CE1-CZ 3.49Å; H201-R329 PolarHBondContact ND1-NH1 3.19Å
202Y97.4Very high96.1Very high0 Ų064.1 Ų64.10%035%0.347CS..Hα-helixtrans-56-41.7176.4176-103.7000112.9F197 C198 P199 L206 L323 R329 L413 E417F197-Y202 HydrophobicContact CE2-CD2 4.47Å; F197-Y202 HydrophobicContact CE2-CG 4.18Å; F197-Y202 HydrophobicContact CZ-CD1 4.47Å; F197-Y202 HydrophobicContact CZ-CG 4.16Å; C198-Y202 PolarHBondContact O-N 3.42Å; P199-Y202 WeakPolarHBondContact O-CB 3.45Å; P199-Y202 PolarHBondContact O-N 2.6Å; Y202-L206 WeakPolarHBondContact O-CB 3.34Å; Y202-L206 PolarHBondContact O-N 3.02Å; Y202-L323 HydrophobicContact CD2-CD1 4.42Å; Y202-L323 HydrophobicContact CD2-CD2 4.09Å; Y202-L323 HydrophobicContact CE2-CD1 4Å; Y202-L323 HydrophobicContact CE2-CD2 3.82Å; Y202-L323 HydrophobicContact CE2-CG 4.43Å; Y202-R329 WeakPolarHBondContact CD2-O 3.39Å; Y202-R329 WeakPolarHBondContact CE2-O 3.4Å; Y202-L413 HydrophobicContact CD1-CD2 4.03Å; Y202-L413 HydrophobicContact CD2-CD2 4.42Å; Y202-L413 HydrophobicContact CE1-CB 4.31Å; Y202-L413 HydrophobicContact CE1-CD2 3.82Å; Y202-L413 HydrophobicContact CE2-CD2 4.26Å; Y202-L413 HydrophobicContact CG-CD2 4.33Å; Y202-E417 HydrophobicContact CE1-CG 4.24Å; Y202-E417 PolarHBondContact OH-OE1 2.95Å
203L96.9Very high96.1Very high33 Ų3365.6 Ų65.617%0.17335%0.348CS..Hα-helixtrans-73.2-38.2177.5-66.8173000111.8P199 D200 H201 D205 L206 F207 L416 A420P199-L203 VanDerWaalsContact O-CG 3.32Å; P199-L203 WeakPolarHBondContact O-CG 3.15Å; P199-L203 PolarHBondContact O-N 2.99Å; D200-L203 PolarHBondContact O-N 2.94Å; H201-L203 VanDerWaalsContact C-N 3.27Å; H201-L203 PolarHBondContact O-N 2.82Å; L203-D205 PolarHBondContact O-N 2.87Å; L203-L206 HydrophobicContact CD2-CD2 4.18Å; L203-L206 WeakPolarHBondContact O-CB 3.25Å; L203-L206 PolarHBondContact O-N 3.42Å; L203-L206 VanDerWaalsContact O-N 3.08Å; L203-F207 HydrophobicContact CD2-CE2 4.22Å; L203-F207 VanDerWaalsContact O-CD2 3.26Å; L203-F207 WeakPolarHBondContact O-CD2 3.36Å; L203-F207 PolarHBondContact O-N 2.74Å; L203-L416 HydrophobicContact CD2-CB 4.29Å; L203-A420 HydrophobicContact CD1-CB 4.12Å; L203-A420 HydrophobicContact CD2-CB 3.9Å
204A96.1Very high96Very high41 Ų4167 Ų6734%0.33936%0.362SS..Hα-helixtrans-56.3-50.6172.700000111.3D200 H201 L206 F207 E208D200-A204 WeakPolarHBondContact O-CB 3.17Å; D200-A204 PolarHBondContact O-N 3Å; H201-A204 PolarHBondContact O-N 3.15Å; H201-A204 VanDerWaalsContact O-N 3.17Å; A204-L206 PolarHBondContact O-N 3.17Å; A204-L206 VanDerWaalsContact O-N 3.11Å; A204-F207 PolarHBondContact O-N 2.65Å; A204-E208 WeakPolarHBondContact O-CB 3.21Å; A204-E208 PolarHBondContact O-N 3.11Å
205D96.5Very high96Very high22 Ų2263.6 Ų63.612%0.11834%0.341CS..Hα-helixtrans-67.1-11.1177.6-70-15.2000114H201 L203 I212 R329H201-D205 IonicContact CD2-OD1 2.74Å; H201-D205 IonicContact CD2-OD2 3.75Å; H201-D205 PolarHBondContact CD2-OD2 3.49Å; H201-D205 IonicContact NE2-OD1 3.56Å; H201-D205 IonicContact NE2-OD2 2.6Å; H201-D205 PolarHBondContact NE2-OD2 2.63Å; H201-D205 PolarHBondContact O-N 3.33Å; L203-D205 PolarHBondContact O-N 2.87Å; D205-I212 HydrophobicContact CB-CD1 3.99Å; D205-I212 WeakPolarHBondContact O-CD1 3.03Å; D205-R329 WeakPolarHBondContact OD2-CA 3.44Å; D205-R329 VanDerWaalsContact OD2-CB 3.28Å; D205-R329 WeakPolarHBondContact OD2-CB 3.47Å; D205-R329 PolarHBondContact OD2-N 3.2Å
206L95.6Very high95.9Very high34 Ų3460.7 Ų60.718%0.17832%0.317CS..Hα-helixtrans-91.5-38.417617970.7000112.5Y202 L203 A204 E417Y202-L206 WeakPolarHBondContact O-CB 3.34Å; Y202-L206 PolarHBondContact O-N 3.02Å; L203-L206 HydrophobicContact CD2-CD2 4.18Å; L203-L206 WeakPolarHBondContact O-CB 3.25Å; L203-L206 PolarHBondContact O-N 3.42Å; L203-L206 VanDerWaalsContact O-N 3.08Å; A204-L206 PolarHBondContact O-N 3.17Å; A204-L206 VanDerWaalsContact O-N 3.11Å; L206-E417 HydrophobicContact CD2-CG 3.68Å
207F93.8Very high95.8Very high89 Ų8963.8 Ų63.839%0.3933%0.327SS..Hα-helixtrans-94.7-28-178-70.4-77000113.2L203 A204 A420L203-F207 HydrophobicContact CD2-CE2 4.22Å; L203-F207 VanDerWaalsContact O-CD2 3.26Å; L203-F207 WeakPolarHBondContact O-CD2 3.36Å; L203-F207 PolarHBondContact O-N 2.74Å; A204-F207 PolarHBondContact O-N 2.65Å; F207-A420 HydrophobicContact CE2-CB 3.54Å; F207-A420 HydrophobicContact CZ-CB 3.76Å
208E93.8Very high95.7Very high162 Ų16264.4 Ų64.476%0.75733%0.33SS*.SBendtrans-103.346.9178-57.7-174.8-173.500110.7A204 E210A204-E208 WeakPolarHBondContact O-CB 3.21Å; A204-E208 PolarHBondContact O-N 3.11Å; E208-E210 VanDerWaalsContact C-N 3.3Å; E208-E210 PolarHBondContact O-N 2.86Å
209D93.9Very high95.4Very high44 Ų4471.4 Ų71.424%0.23535%0.35CS..  trans-82.911.8-165.287.3-23.9000116E211 I212 Q213D209-E211 PolarHBondContact O-N 3.33Å; D209-I212 HydrophobicContact CB-CB 4.43Å; D209-I212 CarbonylContact O-C 3.59Å; D209-I212 WeakPolarHBondContact O-CA 3.41Å; D209-I212 WeakPolarHBondContact O-CB 3.45Å; D209-I212 PolarHBondContact O-N 3.36Å; D209-Q213 WeakPolarHBondContact O-CG 3.31Å; D209-Q213 PolarHBondContact O-N 3.24Å; D209-Q213 VanDerWaalsContact OD2-CG 3.3Å; D209-Q213 WeakPolarHBondContact OD2-CG 3.43Å; D209-Q213 PolarHBondContact OD2-NE2 3.03Å
210E95.1Very high95.2Very high173 Ų17369.2 Ų69.281%0.80834%0.335SS*.Hα-helixtrans-56.7-47.2-170-62.6-167.9162.400113.5E208 Q213 G214E208-E210 VanDerWaalsContact C-N 3.3Å; E208-E210 PolarHBondContact O-N 2.86Å; E210-Q213 PolarHBondContact O-N 3.29Å; E210-G214 PolarHBondContact O-N 3.4Å
211E94Very high94.9Very high129 Ų12967.3 Ų67.360%0.60332%0.319SS*.Hα-helixtrans-66.6-41.4176.3-63.5-170.2154.800111.1D209 Q213 G214 L215 Y328D209-E211 PolarHBondContact O-N 3.33Å; E211-Q213 VanDerWaalsContact C-N 3.29Å; E211-Q213 PolarHBondContact O-N 3.17Å; E211-G214 VanDerWaalsContact O-CA 3.25Å; E211-G214 WeakPolarHBondContact O-CA 3.27Å; E211-G214 PolarHBondContact O-N 3.44Å; E211-L215 WeakPolarHBondContact O-CG 3.28Å; E211-L215 PolarHBondContact O-N 2.81Å; E211-Y328 HydrophobicContact CB-CE1 4.32Å; E211-Y328 WeakPolarHBondContact OE2-CE1 3.44Å; E211-Y328 PolarHBondContact OE2-OH 3.07Å; E211-Y328 VanDerWaalsContact OE2-OH 3.1Å
212I95.3Very high94.6Very high3 Ų364.8 Ų64.82%0.01531%0.307CS..Hα-helixtrans-63.6-36.7-179.9-58.3-179.2000110.8D205 D209 G214 L215 L216 Y328 H330 L333D205-I212 HydrophobicContact CB-CD1 3.99Å; D205-I212 WeakPolarHBondContact O-CD1 3.03Å; D209-I212 HydrophobicContact CB-CB 4.43Å; D209-I212 CarbonylContact O-C 3.59Å; D209-I212 WeakPolarHBondContact O-CA 3.41Å; D209-I212 WeakPolarHBondContact O-CB 3.45Å; D209-I212 PolarHBondContact O-N 3.36Å; I212-G214 PolarHBondContact O-N 3.16Å; I212-L215 PolarHBondContact O-N 3.34Å; I212-L216 HydrophobicContact CG2-CD1 4.17Å; I212-L216 HydrophobicContact CG2-CG 4.43Å; I212-L216 WeakPolarHBondContact O-CB 3.39Å; I212-L216 VanDerWaalsContact O-CG 3.27Å; I212-L216 WeakPolarHBondContact O-CG 3.25Å; I212-L216 PolarHBondContact O-N 2.81Å; I212-Y328 HydrophobicContact CD1-CD1 4.09Å; I212-Y328 HydrophobicContact CG1-CD1 3.75Å; I212-Y328 HydrophobicContact CG1-CE1 4.48Å; I212-Y328 HydrophobicContact CG1-CG 4.23Å; I212-H330 HydrophobicContact CD1-CB 3.8Å; I212-H330 HydrophobicContact CG2-CB 4.01Å; I212-L333 HydrophobicContact CG2-CD1 3.95Å; I212-L333 HydrophobicContact CG2-CD2 4.18Å; I212-L333 HydrophobicContact CG2-CG 3.9Å
213Q95.9Very high94Very high67 Ų6766.9 Ų66.931%0.31332%0.322SS..Hα-helixtrans-67.6-19.9171.1-68.1-64.5-22.600113D209 E210 E211 K217D209-Q213 WeakPolarHBondContact O-CG 3.31Å; D209-Q213 PolarHBondContact O-N 3.24Å; D209-Q213 VanDerWaalsContact OD2-CG 3.3Å; D209-Q213 WeakPolarHBondContact OD2-CG 3.43Å; D209-Q213 PolarHBondContact OD2-NE2 3.03Å; E210-Q213 PolarHBondContact O-N 3.29Å; E211-Q213 VanDerWaalsContact C-N 3.29Å; E211-Q213 PolarHBondContact O-N 3.17Å; Q213-K217 WeakPolarHBondContact O-CD 3.27Å; Q213-K217 WeakPolarHBondContact O-CE 3.48Å; Q213-K217 VanDerWaalsContact O-CG 3.24Å; Q213-K217 WeakPolarHBondContact O-CG 3.08Å; Q213-K217 PolarHBondContact O-NZ 2.98Å
214G95.3Very high93.1Very high29 Ų2971.3 Ų71.330%0.29935%0.346SS..Hα-helixtrans-70.6-56164.600000111.2E210 E211 I212 L216 K217 F218E210-G214 PolarHBondContact O-N 3.4Å; E211-G214 VanDerWaalsContact O-CA 3.25Å; E211-G214 WeakPolarHBondContact O-CA 3.27Å; E211-G214 PolarHBondContact O-N 3.44Å; I212-G214 PolarHBondContact O-N 3.16Å; G214-L216 PolarHBondContact O-N 3.38Å; G214-K217 WeakPolarHBondContact O-CA 3.3Å; G214-K217 WeakPolarHBondContact O-CB 3.37Å; G214-K217 PolarHBondContact O-N 2.92Å; G214-F218 PolarHBondContact O-N 3.07Å
215L95.6Very high92Very high13 Ų1371.1 Ų71.17%0.06834%0.339CS..Hα-helixtrans-59.2-30.9-179.2-55.4174.2000113.2E211 I212 K217 F218 T282 E284 Y328 L333E211-L215 WeakPolarHBondContact O-CG 3.28Å; E211-L215 PolarHBondContact O-N 2.81Å; I212-L215 PolarHBondContact O-N 3.34Å; L215-K217 VanDerWaalsContact C-N 3.34Å; L215-F218 WeakPolarHBondContact O-CB 3.29Å; L215-F218 PolarHBondContact O-N 3.44Å; L215-T282 HydrophobicContact CD1-CG2 4.3Å; L215-E284 HydrophobicContact CD2-CG 3.85Å; L215-Y328 HydrophobicContact CD1-CD2 3.58Å; L215-Y328 HydrophobicContact CD1-CE1 4.49Å; L215-Y328 HydrophobicContact CD1-CE2 3.55Å; L215-Y328 HydrophobicContact CD1-CG 4.09Å; L215-L333 HydrophobicContact CB-CD2 4.29Å
216L95.5Very high90Very high45 Ų4573.2 Ų73.224%0.23635%0.354CS..THydrogen-bonded Turntrans-71.4-25173.4-73.6169.9000113.6I212 G214 L333 A336I212-L216 HydrophobicContact CG2-CD1 4.17Å; I212-L216 HydrophobicContact CG2-CG 4.43Å; I212-L216 WeakPolarHBondContact O-CB 3.39Å; I212-L216 VanDerWaalsContact O-CG 3.27Å; I212-L216 WeakPolarHBondContact O-CG 3.25Å; I212-L216 PolarHBondContact O-N 2.81Å; G214-L216 PolarHBondContact O-N 3.38Å; L216-L333 HydrophobicContact CD2-CD2 3.89Å; L216-L333 HydrophobicContact CG-CD2 4.08Å; L216-A336 HydrophobicContact CD2-CB 3.76Å
217K95.3Very high87.9Confident149 Ų14974.6 Ų74.665%0.64837%0.365SS*.THydrogen-bonded Turntrans-85.4-19.6175.8-66.1164.6-167.2129.40112.4Q213 G214 L215Q213-K217 WeakPolarHBondContact O-CD 3.27Å; Q213-K217 WeakPolarHBondContact O-CE 3.48Å; Q213-K217 VanDerWaalsContact O-CG 3.24Å; Q213-K217 WeakPolarHBondContact O-CG 3.08Å; Q213-K217 PolarHBondContact O-NZ 2.98Å; G214-K217 WeakPolarHBondContact O-CA 3.3Å; G214-K217 WeakPolarHBondContact O-CB 3.37Å; G214-K217 PolarHBondContact O-N 2.92Å; L215-K217 VanDerWaalsContact C-N 3.34Å
218F95.2Very high85.7Confident43 Ų4377.1 Ų77.119%0.18938%0.383CS..  trans-52.6138.7175176-106.4000111.5G214 L215 P220 L280 R281 E284G214-F218 PolarHBondContact O-N 3.07Å; L215-F218 WeakPolarHBondContact O-CB 3.29Å; L215-F218 PolarHBondContact O-N 3.44Å; F218-P220 HydrophobicContact CD1-CG 4Å; F218-P220 HydrophobicContact CE1-CB 4.16Å; F218-P220 HydrophobicContact CE1-CG 3.77Å; F218-P220 WeakPolarHBondContact O-CD 3.5Å; F218-L280 VanDerWaalsContact CE1-O 3.25Å; F218-L280 WeakPolarHBondContact CE1-O 3.45Å; F218-R281 HydrophobicContact CD1-CG 4.41Å; F218-R281 PolarHBondContact O-NH1 3.44Å; F218-E284 HydrophobicContact CD2-CB 3.84Å; F218-E284 HydrophobicContact CD2-CG 4.2Å; F218-E284 HydrophobicContact CE2-CB 3.96Å; F218-E284 WeakPolarHBondContact CE2-O 3.42Å; F218-E284 HydrophobicContact CG-CB 4.39Å; F218-E284 HydrophobicContact CG-CG 4.41Å; F218-E284 WeakPolarHBondContact CZ-O 3.25Å
219R92.2Very high83.4Confident192 Ų19271.5 Ų71.573%0.72536%0.362SS*.  trans-113.8102.2179.5-70.8-170.5176.6-162.80.3109.9
220P92.3Very high81.1Confident1 Ų176.4 Ų76.41%0.00639%0.386CS..  trans-58.5152.8171.9-24.933.7000112.3F218 W222 S223 L280 R281 D340F218-P220 HydrophobicContact CD1-CG 4Å; F218-P220 HydrophobicContact CE1-CB 4.16Å; F218-P220 HydrophobicContact CE1-CG 3.77Å; F218-P220 WeakPolarHBondContact O-CD 3.5Å; P220-W222 HydrophobicContact CB-CD2 3.72Å; P220-W222 HydrophobicContact CB-CE3 4.18Å; P220-W222 HydrophobicContact CB-CG 4.27Å; P220-W222 HydrophobicContact CB-CH2 3.91Å; P220-W222 HydrophobicContact CB-CZ2 3.39Å; P220-W222 HydrophobicContact CB-CZ3 4.26Å; P220-W222 HydrophobicContact CG-CH2 4.42Å; P220-W222 HydrophobicContact CG-CZ2 3.66Å; P220-W222 PolarHBondContact O-N 3.34Å; P220-S223 WeakPolarHBondContact O-CB 3.41Å; P220-S223 PolarHBondContact O-N 2.74Å; P220-S223 PolarHBondContact O-OG 3.36Å; P220-L280 HydrophobicContact CB-CD2 4.29Å; P220-R281 HydrophobicContact CG-CG 4.46Å; P220-D340 WeakPolarHBondContact CG-OD2 3.46Å
221W91.1Very high78.7Confident89 Ų8979.6 Ų79.634%0.33739%0.391SS..G310 helixtrans-57.5-23.9-176.958.3-99000114.8S223 L225 K354W221-S223 VanDerWaalsContact C-N 3.26Å; W221-S223 PolarHBondContact O-N 2.52Å; W221-L225 HydrophobicContact CE3-CD1 4.35Å; W221-L225 HydrophobicContact CZ3-CD1 4.02Å; W221-K354 HydrophobicContact CH2-CB 4.07Å; W221-K354 HydrophobicContact CH2-CD 3.8Å; W221-K354 HydrophobicContact CH2-CG 4.09Å; W221-K354 HydrophobicContact CZ2-CD 4.21Å; W221-K354 HydrophobicContact CZ2-CG 4.29Å; W221-K354 HydrophobicContact CZ3-CD 4.12Å
222W90.1Very high76.4Confident2 Ų280.1 Ų80.11%0.00839%0.393CS..G310 helixtrans-75.4-9.9174.155.171.5000114.2P220 D224 L225 Y276 C277 L280 D340 V344P220-W222 HydrophobicContact CB-CD2 3.72Å; P220-W222 HydrophobicContact CB-CE3 4.18Å; P220-W222 HydrophobicContact CB-CG 4.27Å; P220-W222 HydrophobicContact CB-CH2 3.91Å; P220-W222 HydrophobicContact CB-CZ2 3.39Å; P220-W222 HydrophobicContact CB-CZ3 4.26Å; P220-W222 HydrophobicContact CG-CH2 4.42Å; P220-W222 HydrophobicContact CG-CZ2 3.66Å; P220-W222 PolarHBondContact O-N 3.34Å; W222-D224 VanDerWaalsContact C-N 3.25Å; W222-D224 PolarHBondContact O-N 2.86Å; W222-L225 HydrophobicContact CB-CD1 4.06Å; W222-L225 WeakPolarHBondContact O-CB 3.26Å; W222-L225 PolarHBondContact O-N 3.1Å; W222-Y276 HydrophobicContact CH2-CD1 4.46Å; W222-Y276 HydrophobicContact CH2-CE1 4.04Å; W222-Y276 HydrophobicContact CZ3-CD1 4.5Å; W222-Y276 AromaticContact CZ3-CE1 3.7Å; W222-Y276 HydrophobicContact CZ3-CE1 3.7Å; W222-C277 HydrophobicContact CZ2-CB 4.39Å; W222-L280 HydrophobicContact CE3-CD2 4.34Å; W222-L280 HydrophobicContact CH2-CB 4.19Å; W222-L280 HydrophobicContact CH2-CD2 3.39Å; W222-L280 HydrophobicContact CH2-CG 4.42Å; W222-L280 HydrophobicContact CZ2-CD2 4.38Å; W222-L280 HydrophobicContact CZ3-CD2 3.36Å; W222-D340 HydrophobicContact CZ2-CB 3.78Å; W222-D340 PolarHBondContact NE1-OD1 3.02Å; W222-D340 VanDerWaalsContact NE1-OD1 3.1Å; W222-V344 HydrophobicContact CB-CG2 4.35Å; W222-V344 HydrophobicContact CD2-CG2 3.45Å; W222-V344 VanDerWaalsContact CD2-CG2 3.45Å; W222-V344 HydrophobicContact CE3-CG2 3.77Å; W222-V344 HydrophobicContact CG-CG2 3.73Å; W222-V344 HydrophobicContact CZ2-CG2 4.26Å; W222-V344 HydrophobicContact CZ3-CG2 4.29Å
223S85.5Confident73.9Confident44 Ų4481.7 Ų81.731%0.30841%0.41SS..G310 helixtrans-64.4-31.4-179.9-55.20000112.5P220 W221P220-S223 WeakPolarHBondContact O-CB 3.41Å; P220-S223 PolarHBondContact O-N 2.74Å; P220-S223 PolarHBondContact O-OG 3.36Å; W221-S223 VanDerWaalsContact C-N 3.26Å; W221-S223 PolarHBondContact O-N 2.52Å
224D76.3Confident71.7Confident127 Ų12783.8 Ų83.868%0.67942%0.42SS*.G310 helixtrans-87.9-4.6-178.2-60.7-33.8000112.9W222 C226W222-D224 VanDerWaalsContact C-N 3.25Å; W222-D224 PolarHBondContact O-N 2.86Å; D224-C226 VanDerWaalsContact C-N 3.32Å; D224-C226 PolarHBondContact O-N 3.45Å
225L74.8Confident69.6Low37 Ų3786.4 Ų86.419%0.19444%0.439CS..SBendtrans-75.781.6175.3-62.2176.7000110.4W221 W222 A236 V237W221-L225 HydrophobicContact CE3-CD1 4.35Å; W221-L225 HydrophobicContact CZ3-CD1 4.02Å; W222-L225 HydrophobicContact CB-CD1 4.06Å; W222-L225 WeakPolarHBondContact O-CB 3.26Å; W222-L225 PolarHBondContact O-N 3.1Å; L225-A236 HydrophobicContact CD2-CB 4Å; L225-V237 HydrophobicContact CD1-CG2 3.86Å; L225-V237 HydrophobicContact CD2-CG2 4.36Å
226C53.6Low68.1Low65 Ų6588.4 Ų88.444%0.43946%0.457SS..  trans-56.4135.3-174.3-174.60000114.1D224 D228 S229D224-C226 VanDerWaalsContact C-N 3.32Å; D224-C226 PolarHBondContact O-N 3.45Å; C226-D228 VanDerWaalsContact C-N 3.26Å; C226-D228 PolarHBondContact O-N 3.22Å; C226-S229 WeakPolarHBondContact O-CB 3.38Å; C226-S229 PolarHBondContact O-N 3.38Å; C226-S229 PolarHBondContact O-OG 2.99Å
227P52.4Low67.3Low64 Ų6487 Ų8742%0.41645%0.45SS..G310 helixtrans-59.4-24.7176.4-26.535.5000115.9S229 I230P227-S229 PolarHBondContact O-N 2.94Å; P227-I230 VanDerWaalsContact O-CD1 3.23Å; P227-I230 WeakPolarHBondContact O-CD1 3.27Å; P227-I230 WeakPolarHBondContact O-CG1 3.2Å; P227-I230 PolarHBondContact O-N 3Å
228D45.9Very low66.7Low142 Ų14284.5 Ų84.576%0.75945%0.451SS*.G310 helixtrans-68.8-13.8179.1-73.4-38.9000113.1C226 I230C226-D228 VanDerWaalsContact C-N 3.26Å; C226-D228 PolarHBondContact O-N 3.22Å; D228-I230 PolarHBondContact O-N 2.63Å
229S45.6Very low66.4Low44 Ų4484.8 Ų84.831%0.30845%0.453SS..G310 helixtrans-70.412.1172.4-620000114.2C226 P227 R231 Q232 G233C226-S229 WeakPolarHBondContact O-CB 3.38Å; C226-S229 PolarHBondContact O-N 3.38Å; C226-S229 PolarHBondContact O-OG 2.99Å; P227-S229 PolarHBondContact O-N 2.94Å; S229-R231 PolarHBondContact O-N 3.09Å; S229-Q232 CarbonylContact O-C 3.24Å; S229-Q232 VanDerWaalsContact O-C 3.24Å; S229-Q232 WeakPolarHBondContact O-CA 3.2Å; S229-Q232 PolarHBondContact O-N 2.87Å; S229-G233 WeakPolarHBondContact O-CA 3.01Å; S229-G233 PolarHBondContact O-N 3.24Å
230I46.3Very low66.2Low146 Ų14678.7 Ų78.775%0.74944%0.437SS*.G310 helixtrans-52.8-23.5171.7-76.1157.5000112.9P227 D228P227-I230 VanDerWaalsContact O-CD1 3.23Å; P227-I230 WeakPolarHBondContact O-CD1 3.27Å; P227-I230 WeakPolarHBondContact O-CG1 3.2Å; P227-I230 PolarHBondContact O-N 3Å; D228-I230 PolarHBondContact O-N 2.63Å
231R44.8Very low66.1Low241 Ų24184.1 Ų84.191%0.90947%0.466SS*.G310 helixtrans-82.1-9174.4-51.4-169.983.4-175.75.3114.3S229S229-R231 PolarHBondContact O-N 3.09Å
232Q46.1Very low65.9Low139 Ų13985.8 Ų85.865%0.6548%0.481SS*.SBendtrans-139.423.7-177.5-74.1178.4-18.400112.2S229 E234 A235S229-Q232 CarbonylContact O-C 3.24Å; S229-Q232 VanDerWaalsContact O-C 3.24Å; S229-Q232 WeakPolarHBondContact O-CA 3.2Å; S229-Q232 PolarHBondContact O-N 2.87Å; Q232-E234 PolarHBondContact O-N 3.44Å; Q232-A235 PolarHBondContact O-N 2.91Å
233G43Very low66Low36 Ų3687 Ų8737%0.37149%0.487SS..THydrogen-bonded Turntrans-67.215.7-164.700000118S229S229-G233 WeakPolarHBondContact O-CA 3.01Å; S229-G233 PolarHBondContact O-N 3.24Å
234E49.8Very low66.2Low112 Ų11288.5 Ų88.552%0.52349%0.488SS..THydrogen-bonded Turntrans-126.1-9.1170.9-64.4-179.817100111.9Q232 K349 S389Q232-E234 PolarHBondContact O-N 3.44Å; E234-K349 WeakPolarHBondContact OE1-CE 3.48Å; E234-K349 IonicContact OE1-NZ 3.42Å; E234-S389 PolarHBondContact OE1-OG 3.49Å
235A50.8Low66.8Low84 Ų8486.4 Ų86.469%0.69447%0.474SS*.THydrogen-bonded Turntrans-98.9-12-177.500000114.5Q232Q232-A235 PolarHBondContact O-N 2.91Å
236A64.2Low67.4Low54 Ų5485.2 Ų85.245%0.44647%0.468SS..SBendtrans-81.4-18.5179.800000113.7L225L225-A236 HydrophobicContact CD2-CB 4Å
237V77.6Confident69Low16 Ų1684 Ų8410%0.09746%0.456CS..SBendtrans-105107.8177.9-179.10000108.2L225 A350 C351 K354L225-V237 HydrophobicContact CD1-CG2 3.86Å; L225-V237 HydrophobicContact CD2-CG2 4.36Å; V237-A350 HydrophobicContact CB-CB 4.1Å; V237-A350 HydrophobicContact CG1-CB 4.5Å; V237-A350 HydrophobicContact CG2-CB 4.44Å; V237-C351 HydrophobicContact CG2-CB 4.22Å; V237-K354 HydrophobicContact CG1-CB 4.1Å; V237-K354 HydrophobicContact CG1-CD 3.69Å
238S82.8Confident70.7Confident96 Ų9689.7 Ų89.767%0.67147%0.47SS*.PPolyproline II helixtrans-84.2138.8172.6510000111K354S238-K354 PolarHBondContact O-NZ 3.2Å
239F89.1Confident72.5Confident50 Ų5087.9 Ų87.922%0.21946%0.455CS..PPolyproline II helixtrans-92.9139.9169.3-63.7-77.9000110.7E243 K244 A350 L353 K354 L357F239-E243 WeakPolarHBondContact CA-OE2 3.07Å; F239-E243 HydrophobicContact CB-CB 4.19Å; F239-E243 HydrophobicContact CD1-CB 4.27Å; F239-E243 WeakPolarHBondContact CD1-OE2 3.01Å; F239-K244 HydrophobicContact CB-CG 4.1Å; F239-K244 WeakPolarHBondContact O-CE 3.46Å; F239-K244 PolarHBondContact O-NZ 3.43Å; F239-A350 HydrophobicContact CZ-CB 4.37Å; F239-L353 HydrophobicContact CE1-CD2 4.27Å; F239-L353 HydrophobicContact CE1-CG 4.25Å; F239-L353 HydrophobicContact CZ-CB 4.48Å; F239-L353 HydrophobicContact CZ-CD2 3.97Å; F239-L353 HydrophobicContact CZ-CG 4.33Å; F239-K354 HydrophobicContact CE1-CB 4.13Å; F239-L357 HydrophobicContact CD1-CD1 3.97Å; F239-L357 HydrophobicContact CE1-CD1 3.92Å
240T89.4Confident74.2Confident64 Ų6487 Ų8739%0.39345%0.446SS..PPolyproline II helixtrans-67.5168.3168.571.40000110.1E243 K244T240-E243 PolarHBondContact N-OE2 3.01Å; T240-E243 WeakPolarHBondContact OG1-CB 3.26Å; T240-E243 VanDerWaalsContact OG1-CG 3.26Å; T240-E243 WeakPolarHBondContact OG1-CG 3.28Å; T240-E243 PolarHBondContact OG1-N 3.29Å; T240-E243 VanDerWaalsContact OG1-N 3.09Å; T240-K244 WeakPolarHBondContact O-CE 3.49Å; T240-K244 VanDerWaalsContact O-CG 3.28Å; T240-K244 WeakPolarHBondContact O-CG 3.36Å; T240-K244 PolarHBondContact O-N 3.06Å; T240-K244 VanDerWaalsContact O-N 3.13Å
241D89.3Confident75.6Confident114 Ų11482.6 Ų82.661%0.6143%0.426SS*.Hα-helixtrans-73.5-30.6178.1-67-36.5000112.2K244 E245D241-K244 PolarHBondContact O-N 3.18Å; D241-K244 IonicContact OD1-NZ 3.64Å; D241-K244 PolarHBondContact OD1-NZ 2.96Å; D241-E245 PolarHBondContact O-N 2.8Å
242D87.7Confident77Confident125 Ų12577 Ų7767%0.66841%0.414SS*.Hα-helixtrans-66.4-43.2171.9-51.4-49.1000111.8K244 E245 Q246D242-K244 VanDerWaalsContact C-N 3.29Å; D242-K244 PolarHBondContact O-N 3.4Å; D242-E245 PolarHBondContact O-N 3.06Å; D242-Q246 WeakPolarHBondContact O-CB 2.97Å; D242-Q246 PolarHBondContact O-N 2.77Å
243E91.1Very high78.3Confident26 Ų2675.4 Ų75.412%0.12141%0.406CS..Hα-helixtrans-58.6-41.4172.8-78.4170.8168.200110.9F239 T240 Q246 L247 K354 L357F239-E243 WeakPolarHBondContact CA-OE2 3.07Å; F239-E243 HydrophobicContact CB-CB 4.19Å; F239-E243 HydrophobicContact CD1-CB 4.27Å; F239-E243 WeakPolarHBondContact CD1-OE2 3.01Å; T240-E243 PolarHBondContact N-OE2 3.01Å; T240-E243 WeakPolarHBondContact OG1-CB 3.26Å; T240-E243 VanDerWaalsContact OG1-CG 3.26Å; T240-E243 WeakPolarHBondContact OG1-CG 3.28Å; T240-E243 PolarHBondContact OG1-N 3.29Å; T240-E243 VanDerWaalsContact OG1-N 3.09Å; E243-Q246 PolarHBondContact O-N 3.33Å; E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.37Å; E243-L247 PolarHBondContact O-N 3.01Å; E243-K354 VanDerWaalsContact CD-NZ 3.27Å; E243-K354 WeakPolarHBondContact OE1-CG 3.48Å; E243-K354 IonicContact OE1-NZ 2.9Å; E243-K354 PolarHBondContact OE1-NZ 2.91Å; E243-K354 IonicContact OE2-NZ 2.66Å; E243-K354 PolarHBondContact OE2-NZ 3.2Å; E243-L357 HydrophobicContact CB-CD1 4.05Å; E243-L357 HydrophobicContact CG-CB 4.35Å; E243-L357 HydrophobicContact CG-CD1 4.14Å
244K90.1Very high79.7Confident76 Ų7677.7 Ų77.733%0.3342%0.416SS..Hα-helixtrans-68-42.5175.7-68.1163.8-151.4148.20112.2F239 T240 D241 D242 Q246 L247 R248F239-K244 HydrophobicContact CB-CG 4.1Å; F239-K244 WeakPolarHBondContact O-CE 3.46Å; F239-K244 PolarHBondContact O-NZ 3.43Å; T240-K244 WeakPolarHBondContact O-CE 3.49Å; T240-K244 VanDerWaalsContact O-CG 3.28Å; T240-K244 WeakPolarHBondContact O-CG 3.36Å; T240-K244 PolarHBondContact O-N 3.06Å; T240-K244 VanDerWaalsContact O-N 3.13Å; D241-K244 PolarHBondContact O-N 3.18Å; D241-K244 IonicContact OD1-NZ 3.64Å; D241-K244 PolarHBondContact OD1-NZ 2.96Å; D242-K244 VanDerWaalsContact C-N 3.29Å; D242-K244 PolarHBondContact O-N 3.4Å; K244-Q246 VanDerWaalsContact C-N 3.27Å; K244-Q246 PolarHBondContact O-N 2.71Å; K244-L247 PolarHBondContact O-N 3.33Å; K244-R248 WeakPolarHBondContact O-CG 3.32Å; K244-R248 PolarHBondContact O-N 3.48Å; K244-R248 VanDerWaalsContact O-N 3.08Å
245E88.3Confident81.2Confident83 Ų8374.1 Ų74.139%0.38840%0.399SS..Hα-helixtrans-62.6-39.5175.6-163.8-166.1129.200110.6D241 D242 R248 K249D241-E245 PolarHBondContact O-N 2.8Å; D242-E245 PolarHBondContact O-N 3.06Å; E245-R248 WeakPolarHBondContact O-CB 3.37Å; E245-R248 PolarHBondContact O-N 2.88Å; E245-K249 PolarHBondContact O-N 3.06Å; E245-K249 WeakPolarHBondContact OE1-CE 3.15Å; E245-K249 IonicContact OE1-NZ 3.5Å; E245-K249 PolarHBondContact OE1-NZ 2.88Å
246Q87.5Confident82.6Confident13 Ų1378 Ų786%0.06141%0.406CS..Hα-helixtrans-65-40.8175.9-174.349.339.300112.4D242 E243 K244 R248 K249 F250 L357 R364D242-Q246 WeakPolarHBondContact O-CB 2.97Å; D242-Q246 PolarHBondContact O-N 2.77Å; E243-Q246 PolarHBondContact O-N 3.33Å; K244-Q246 VanDerWaalsContact C-N 3.27Å; K244-Q246 PolarHBondContact O-N 2.71Å; Q246-R248 VanDerWaalsContact C-N 3.28Å; Q246-R248 PolarHBondContact O-N 3.49Å; Q246-K249 PolarHBondContact O-N 3.29Å; Q246-K249 VanDerWaalsContact O-N 3.15Å; Q246-F250 HydrophobicContact CG-CE1 4.4Å; Q246-F250 HydrophobicContact CG-CE2 4.23Å; Q246-F250 HydrophobicContact CG-CZ 3.86Å; Q246-L357 HydrophobicContact CG-CD2 4.23Å; Q246-R364 VanDerWaalsContact CD-NH2 3.26Å
247L87.9Confident83.6Confident38 Ų3877.1 Ų77.120%0.19939%0.393CS..Hα-helixtrans-62.2-32.7173.6-72.8169000113.1E243 K244 K249 F250 L353 L357E243-L247 VanDerWaalsContact O-CG 3.28Å; E243-L247 WeakPolarHBondContact O-CG 3.37Å; E243-L247 PolarHBondContact O-N 3.01Å; K244-L247 PolarHBondContact O-N 3.33Å; L247-K249 VanDerWaalsContact C-N 3.32Å; L247-F250 HydrophobicContact CD2-CD2 4.02Å; L247-F250 HydrophobicContact CD2-CE2 4.12Å; L247-F250 PolarHBondContact O-N 2.83Å; L247-L353 HydrophobicContact CD1-CD2 4.44Å; L247-L353 HydrophobicContact CD2-CD1 4.19Å; L247-L353 HydrophobicContact CD2-CD2 4.1Å; L247-L353 HydrophobicContact CD2-CG 4.48Å; L247-L357 HydrophobicContact CD1-CD1 4.09Å; L247-L357 HydrophobicContact CD2-CD1 4.21Å; L247-L357 HydrophobicContact CD2-CD2 4.08Å; L247-L357 HydrophobicContact CG-CD1 4.07Å; L247-L357 HydrophobicContact CG-CD2 4.2Å
248R86.9Confident83.9Confident185 Ų18580.5 Ų80.570%0.69841%0.411SS*.Hα-helixtrans-68.9-27.6174.6-67.3172-165.1128.61.6113.2K244 E245 Q246 F250K244-R248 WeakPolarHBondContact O-CG 3.32Å; K244-R248 PolarHBondContact O-N 3.48Å; K244-R248 VanDerWaalsContact O-N 3.08Å; E245-R248 WeakPolarHBondContact O-CB 3.37Å; E245-R248 PolarHBondContact O-N 2.88Å; Q246-R248 VanDerWaalsContact C-N 3.28Å; Q246-R248 PolarHBondContact O-N 3.49Å; R248-F250 VanDerWaalsContact C-N 3.3Å
249K83.8Confident83.8Confident103 Ų10384.2 Ų84.245%0.44842%0.415SS..THydrogen-bonded Turntrans-77.5-13.4177.8-67.5165.8-173.61610113.1E245 Q246 L247E245-K249 PolarHBondContact O-N 3.06Å; E245-K249 WeakPolarHBondContact OE1-CE 3.15Å; E245-K249 IonicContact OE1-NZ 3.5Å; E245-K249 PolarHBondContact OE1-NZ 2.88Å; Q246-K249 PolarHBondContact O-N 3.29Å; Q246-K249 VanDerWaalsContact O-N 3.15Å; L247-K249 VanDerWaalsContact C-N 3.32Å
250F82.3Confident83.6Confident25 Ų2588.6 Ų88.611%0.1143%0.434CS..SBendtrans-82.6123.2179.7-64.3-39.5000111.9Q246 L247 R248 L357 H360 T378 C381 V382Q246-F250 HydrophobicContact CG-CE1 4.4Å; Q246-F250 HydrophobicContact CG-CE2 4.23Å; Q246-F250 HydrophobicContact CG-CZ 3.86Å; L247-F250 HydrophobicContact CD2-CD2 4.02Å; L247-F250 HydrophobicContact CD2-CE2 4.12Å; L247-F250 PolarHBondContact O-N 2.83Å; R248-F250 VanDerWaalsContact C-N 3.3Å; F250-L357 HydrophobicContact CE2-CD2 3.81Å; F250-L357 HydrophobicContact CZ-CD2 4.28Å; F250-H360 AromaticContact CE1-CD2 3.86Å; F250-H360 AromaticContact CE1-NE2 3.58Å; F250-H360 AromaticContact CZ-CD2 3.67Å; F250-H360 AromaticContact CZ-NE2 3.81Å; F250-T378 HydrophobicContact CD1-CG2 3.68Å; F250-T378 HydrophobicContact CE1-CG2 3.76Å; F250-C381 HydrophobicContact CD2-CB 4.12Å; F250-C381 HydrophobicContact CE2-CB 3.57Å; F250-C381 HydrophobicContact CZ-CB 4.03Å; F250-V382 HydrophobicContact CB-CG2 3.79Å; F250-V382 HydrophobicContact CG-CG2 4.28Å
251T76.5Confident83.4Confident54 Ų5486.5 Ų86.533%0.33142%0.422SS..  trans-68132173.547.20000111.3H253T251-H253 WeakPolarHBondContact CB-NE2 3.37Å; T251-H253 PolarHBondContact O-CD2 3.04Å; T251-H253 PolarHBondContact O-N 3.47Å; T251-H253 PolarHBondContact OG1-CD2 3.09Å; T251-H253 PolarHBondContact OG1-NE2 3.41Å
252N73.1Confident83.3Confident125 Ų12586.3 Ų86.367%0.66841%0.413SS*.  trans-85.373.6-167.1-168.96000113.2R386N252-R386 PolarHBondContact O-NH2 3.1Å; N252-R386 PolarHBondContact OD1-NE 3.23Å; N252-R386 PolarHBondContact OD1-NH2 3.21Å
253H72.9Confident83.3Confident104 Ų10485.5 Ų85.548%0.48140%0.403SS..  trans-81.5145.6-176.5-67.7-69.5000115.3T251 Y255 R386T251-H253 WeakPolarHBondContact CB-NE2 3.37Å; T251-H253 PolarHBondContact O-CD2 3.04Å; T251-H253 PolarHBondContact O-N 3.47Å; T251-H253 PolarHBondContact OG1-CD2 3.09Å; T251-H253 PolarHBondContact OG1-NE2 3.41Å; H253-Y255 HydrophobicContact CB-CE1 4.47Å; H253-R386 PolarHBondContact O-NE 3.34Å; H253-R386 PolarHBondContact O-NH2 3.35Å
254S73.3Confident83.3Confident84 Ų8485.2 Ų85.259%0.58740%0.402SS*.  trans-102.1103.8174.659.60000112.1I256S254-I256 PolarHBondContact O-N 3.02Å
255Y80.4Confident83.5Confident38 Ų3881.7 Ų81.715%0.14939%0.387CS..  trans-76118.4178.6-51.1-78.8000112.5F153 H253 L257 D379 V382 W383F153-Y255 AromaticContact CD1-CD1 3.98Å; F153-Y255 HydrophobicContact CD1-CD1 3.98Å; F153-Y255 HydrophobicContact CD1-CE1 4.02Å; F153-Y255 HydrophobicContact CD1-CG 4.5Å; F153-Y255 AromaticContact CE1-CD1 3.6Å; F153-Y255 HydrophobicContact CE1-CD1 3.6Å; F153-Y255 HydrophobicContact CE1-CD2 4.1Å; F153-Y255 AromaticContact CE1-CE1 3.94Å; F153-Y255 HydrophobicContact CE1-CE1 3.94Å; F153-Y255 HydrophobicContact CE1-CE2 4.43Å; F153-Y255 AromaticContact CE1-CG 3.68Å; F153-Y255 HydrophobicContact CE1-CG 3.68Å; F153-Y255 HydrophobicContact CZ-CG 4.45Å; H253-Y255 HydrophobicContact CB-CE1 4.47Å; Y255-L257 PolarHBondContact O-N 3.48Å; Y255-D379 HydrophobicContact CE1-CB 4.14Å; Y255-D379 VanDerWaalsContact CE1-OD1 3.23Å; Y255-D379 WeakPolarHBondContact CE1-OD1 3.4Å; Y255-D379 VanDerWaalsContact CZ-OD1 3.26Å; Y255-D379 WeakPolarHBondContact OH-CA 3.44Å; Y255-D379 PolarHBondContact OH-OD1 3.3Å; Y255-V382 HydrophobicContact CE2-CB 4.23Å; Y255-V382 HydrophobicContact CE2-CG1 3.99Å; Y255-W383 HydrophobicContact CD2-CB 3.99Å; Y255-W383 AromaticContact CD2-CD1 3.91Å; Y255-W383 HydrophobicContact CD2-CG 4.38Å; Y255-W383 HydrophobicContact CE2-CB 3.95Å
256I79.8Confident83.8Confident166 Ų16679.3 Ų79.385%0.85137%0.374SS*.  trans-92.193171.7-56.4178.1000107.8S254S254-I256 PolarHBondContact O-N 3.02Å
257L84.9Confident84.2Confident34 Ų3479 Ų7918%0.17837%0.373CS..  trans-105132.1-179.2-61.3174.8000111.2F153 Y255 R262 V265F153-L257 HydrophobicContact CE1-CD1 4.29Å; F153-L257 HydrophobicContact CZ-CD1 4.31Å; Y255-L257 PolarHBondContact O-N 3.48Å; L257-R262 HydrophobicContact CB-CB 4.02Å; L257-R262 HydrophobicContact CD1-CB 4.48Å; L257-V265 HydrophobicContact CD1-CG2 4.02Å
258D84.1Confident84.6Confident88 Ų8877.8 Ų77.847%0.47137%0.368SS..  trans-69.2173169.581.1-76.2000111.6K260 S261 R262D258-K260 VanDerWaalsContact C-N 3.32Å; D258-K260 PolarHBondContact O-N 2.74Å; D258-K260 WeakPolarHBondContact OD2-CA 3.37Å; D258-K260 VanDerWaalsContact OD2-CB 3.24Å; D258-K260 WeakPolarHBondContact OD2-CB 3.16Å; D258-K260 PolarHBondContact OD2-N 3.42Å; D258-S261 WeakPolarHBondContact OD1-CB 3.2Å; D258-S261 PolarHBondContact OD1-N 3.49Å; D258-S261 PolarHBondContact OD1-OG 2.77Å; D258-S261 PolarHBondContact OD2-N 2.92Å; D258-R262 WeakPolarHBondContact O-CB 3.18Å; D258-R262 PolarHBondContact O-N 3.11Å
259K80.8Confident85.2Confident174 Ų17469 Ų6976%0.75734%0.335SS*.Hα-helixtrans-62.3-35.6-175.6-172.3-178.5174.2-171.40113F263K259-F263 PolarHBondContact O-N 3.37Å
260K85.1Confident85.8Confident142 Ų14264.1 Ų64.162%0.61731%0.313SS*.Hα-helixtrans-75.4-54179.5-174.4-173.4175.2-173.60110.5D258 R262 F263 Q264D258-K260 VanDerWaalsContact C-N 3.32Å; D258-K260 PolarHBondContact O-N 2.74Å; D258-K260 WeakPolarHBondContact OD2-CA 3.37Å; D258-K260 VanDerWaalsContact OD2-CB 3.24Å; D258-K260 WeakPolarHBondContact OD2-CB 3.16Å; D258-K260 PolarHBondContact OD2-N 3.42Å; K260-R262 VanDerWaalsContact C-N 3.28Å; K260-R262 PolarHBondContact O-N 3.18Å; K260-F263 WeakPolarHBondContact O-CA 3.14Å; K260-F263 WeakPolarHBondContact O-CB 3.29Å; K260-F263 PolarHBondContact O-N 3.29Å; K260-Q264 PolarHBondContact O-N 2.77Å
261S86.4Confident86.6Confident20 Ų2062.9 Ų62.914%0.1431%0.308CS..Hα-helixtrans-61.4-38.3-179.2-52.70000111.6D258 F263 Q264 V265D258-S261 WeakPolarHBondContact OD1-CB 3.2Å; D258-S261 PolarHBondContact OD1-N 3.49Å; D258-S261 PolarHBondContact OD1-OG 2.77Å; D258-S261 PolarHBondContact OD2-N 2.92Å; S261-F263 VanDerWaalsContact C-N 3.26Å; S261-F263 PolarHBondContact O-N 3.1Å; S261-Q264 PolarHBondContact O-N 3.46Å; S261-V265 VanDerWaalsContact O-CG2 3.31Å; S261-V265 WeakPolarHBondContact O-CG2 3.36Å; S261-V265 PolarHBondContact O-N 3.27Å
262R87.4Confident87.6Confident109 Ų10960.3 Ų60.341%0.41129%0.292SS..Hα-helixtrans-61.8-31.7173.5-169.1-172.668.3-176.1-3.1113.2L257 D258 K260 W266L257-R262 HydrophobicContact CB-CB 4.02Å; L257-R262 HydrophobicContact CD1-CB 4.48Å; D258-R262 WeakPolarHBondContact O-CB 3.18Å; D258-R262 PolarHBondContact O-N 3.11Å; K260-R262 VanDerWaalsContact C-N 3.28Å; K260-R262 PolarHBondContact O-N 3.18Å; R262-W266 PolarHBondContact O-N 3.14Å
263F87.5Confident88.8Confident108 Ų10854.4 Ų54.447%0.47426%0.261SS..Hα-helixtrans-74.8-41.2175.1-178.3-107.2000111.2K259 K260 S261 V265 W266 L267 S309K259-F263 PolarHBondContact O-N 3.37Å; K260-F263 WeakPolarHBondContact O-CA 3.14Å; K260-F263 WeakPolarHBondContact O-CB 3.29Å; K260-F263 PolarHBondContact O-N 3.29Å; S261-F263 VanDerWaalsContact C-N 3.26Å; S261-F263 PolarHBondContact O-N 3.1Å; F263-V265 VanDerWaalsContact C-N 3.33Å; F263-V265 PolarHBondContact O-N 3.34Å; F263-W266 PolarHBondContact O-N 3.14Å; F263-W266 VanDerWaalsContact O-N 3.14Å; F263-L267 HydrophobicContact CD1-CD1 4.04Å; F263-L267 HydrophobicContact CE1-CD1 3.55Å; F263-L267 HydrophobicContact CE1-CG 4.25Å; F263-L267 HydrophobicContact CZ-CD1 4.01Å; F263-L267 HydrophobicContact CZ-CD2 4.46Å; F263-L267 HydrophobicContact CZ-CG 4.36Å; F263-L267 PolarHBondContact O-N 2.91Å; F263-L267 VanDerWaalsContact O-N 3.16Å; F263-S309 WeakPolarHBondContact CE1-O 3.06Å
264Q91.3Very high90.1Very high21 Ų2149.4 Ų49.410%0.09824%0.238CC..Hα-helixtrans-61.2-38.8174.1-67.3173.4-50.800112.3K260 S261 W266 L267 S268 T307K260-Q264 PolarHBondContact O-N 2.77Å; S261-Q264 PolarHBondContact O-N 3.46Å; Q264-W266 VanDerWaalsContact C-N 3.33Å; Q264-W266 PolarHBondContact O-N 2.87Å; Q264-L267 PolarHBondContact O-N 2.74Å; Q264-S268 PolarHBondContact O-N 3.08Å; Q264-S268 PolarHBondContact O-OG 3.19Å; Q264-T307 PolarHBondContact NE2-OG1 3.16Å
265V94.3Very high91.2Very high1 Ų145.4 Ų45.41%0.00621%0.21CC..Hα-helixtrans-59.8-37.8173166.80000112.3F153 G154 L257 S261 F263 L269 Y380 W383F153-V265 HydrophobicContact CD2-CG1 4.46Å; F153-V265 HydrophobicContact CE2-CG1 3.56Å; F153-V265 HydrophobicContact CE2-CG2 4.19Å; F153-V265 HydrophobicContact CZ-CG1 3.8Å; F153-V265 HydrophobicContact CZ-CG2 4.18Å; G154-V265 VanDerWaalsContact CA-CG2 3.5Å; L257-V265 HydrophobicContact CD1-CG2 4.02Å; S261-V265 VanDerWaalsContact O-CG2 3.31Å; S261-V265 WeakPolarHBondContact O-CG2 3.36Å; S261-V265 PolarHBondContact O-N 3.27Å; F263-V265 VanDerWaalsContact C-N 3.33Å; F263-V265 PolarHBondContact O-N 3.34Å; V265-L269 VanDerWaalsContact O-CB 3.31Å; V265-L269 WeakPolarHBondContact O-CB 3.42Å; V265-L269 PolarHBondContact O-N 2.99Å; V265-Y380 HydrophobicContact CG1-CE1 3.69Å; V265-Y380 PolarHBondContact O-OH 3.37Å; V265-Y380 VanDerWaalsContact O-OH 3.1Å; V265-W383 HydrophobicContact CG1-CD2 4.15Å; V265-W383 HydrophobicContact CG1-CE3 4.23Å; V265-W383 HydrophobicContact CG1-CH2 3.76Å; V265-W383 HydrophobicContact CG1-CZ2 3.67Å; V265-W383 HydrophobicContact CG1-CZ3 4.06Å
266W94.7Very high92.1Very high33 Ų3343.7 Ų43.713%0.12520%0.203CC..Hα-helixtrans-67.9-42.1173.4-79.6110.5000112.6R262 F263 Q264 L269 V270 W383 V387 K391 V392 L395R262-W266 PolarHBondContact O-N 3.14Å; F263-W266 PolarHBondContact O-N 3.14Å; F263-W266 VanDerWaalsContact O-N 3.14Å; Q264-W266 VanDerWaalsContact C-N 3.33Å; Q264-W266 PolarHBondContact O-N 2.87Å; W266-L269 HydrophobicContact CE3-CD2 4.3Å; W266-L269 HydrophobicContact CZ3-CD2 4.32Å; W266-L269 PolarHBondContact O-N 2.93Å; W266-V270 WeakPolarHBondContact O-CG2 3.31Å; W266-V270 PolarHBondContact O-N 3.1Å; W266-V270 VanDerWaalsContact O-N 3.1Å; W266-W383 AromaticContact CD2-CH2 3.78Å; W266-W383 HydrophobicContact CD2-CH2 3.78Å; W266-W383 AromaticContact CE2-CH2 3.58Å; W266-W383 HydrophobicContact CE3-CH2 4.11Å; W266-W383 HydrophobicContact CG-CH2 4.31Å; W266-W383 HydrophobicContact CH2-CH2 4.19Å; W266-W383 AromaticContact CZ2-CH2 3.81Å; W266-W383 HydrophobicContact CZ2-CH2 3.81Å; W266-W383 HydrophobicContact CZ2-CZ2 4.46Å; W266-W383 HydrophobicContact CZ3-CH2 4.31Å; W266-W383 AromaticContact NE1-CH2 3.9Å; W266-V387 HydrophobicContact CH2-CG1 3.75Å; W266-V387 HydrophobicContact CZ2-CG1 3.68Å; W266-K391 HydrophobicContact CH2-CB 4.24Å; W266-K391 HydrophobicContact CZ2-CB 3.93Å; W266-V392 HydrophobicContact CH2-CB 4.41Å; W266-V392 HydrophobicContact CH2-CG2 3.84Å; W266-V392 HydrophobicContact CZ3-CG2 4.38Å; W266-L395 HydrophobicContact CE3-CD2 3.63Å; W266-L395 HydrophobicContact CZ3-CD2 3.98Å
267L95.5Very high93Very high7 Ų735.8 Ų35.84%0.03716%0.162CC..Hα-helixtrans-68.9-38.7-179.9-66.3-179.9000112.5F263 Q264 V270 D271 Y308 L311 V314F263-L267 HydrophobicContact CD1-CD1 4.04Å; F263-L267 HydrophobicContact CE1-CD1 3.55Å; F263-L267 HydrophobicContact CE1-CG 4.25Å; F263-L267 HydrophobicContact CZ-CD1 4.01Å; F263-L267 HydrophobicContact CZ-CD2 4.46Å; F263-L267 HydrophobicContact CZ-CG 4.36Å; F263-L267 PolarHBondContact O-N 2.91Å; F263-L267 VanDerWaalsContact O-N 3.16Å; Q264-L267 PolarHBondContact O-N 2.74Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.08Å; L267-D271 PolarHBondContact O-N 3.23Å; L267-Y308 WeakPolarHBondContact CD1-O 3.48Å; L267-L311 HydrophobicContact CD2-CB 4.26Å; L267-L311 HydrophobicContact CD2-CD1 4.37Å; L267-V314 HydrophobicContact CB-CG2 3.88Å; L267-V314 HydrophobicContact CD2-CG2 4.19Å
268S96.6Very high93.6Very high13 Ų1334.3 Ų34.39%0.09115%0.154CC..Hα-helixtrans-74-29.7176.139.80000112.9Q264 D271 I272 T301 Y380Q264-S268 PolarHBondContact O-N 3.08Å; Q264-S268 PolarHBondContact O-OG 3.19Å; S268-D271 PolarHBondContact O-N 3.44Å; S268-I272 WeakPolarHBondContact O-CG1 3.17Å; S268-I272 PolarHBondContact O-N 3.14Å; S268-T301 VanDerWaalsContact CB-CG2 3.48Å; S268-T301 VanDerWaalsContact CB-OG1 3.27Å; S268-T301 WeakPolarHBondContact CB-OG1 3.48Å; S268-Y380 PolarHBondContact OG-OH 3.3Å
269L97.7Very high94.2Very high0 Ų030.2 Ų30.20%013%0.132CC..Hα-helixtrans-62.8-40.6166.518058.4000112.2V265 W266 I273 F345 V352 L356 Y380 W383 I384V265-L269 VanDerWaalsContact O-CB 3.31Å; V265-L269 WeakPolarHBondContact O-CB 3.42Å; V265-L269 PolarHBondContact O-N 2.99Å; W266-L269 HydrophobicContact CE3-CD2 4.3Å; W266-L269 HydrophobicContact CZ3-CD2 4.32Å; W266-L269 PolarHBondContact O-N 2.93Å; L269-I273 HydrophobicContact CD1-CG1 3.95Å; L269-I273 HydrophobicContact CG-CG1 4.41Å; L269-I273 WeakPolarHBondContact O-CB 3.33Å; L269-I273 VanDerWaalsContact O-CG1 3.24Å; L269-I273 WeakPolarHBondContact O-CG1 3.31Å; L269-I273 PolarHBondContact O-N 3.3Å; L269-F345 HydrophobicContact CD2-CE1 4.1Å; L269-F345 HydrophobicContact CG-CE1 4.18Å; L269-F345 HydrophobicContact CG-CZ 4.16Å; L269-V352 HydrophobicContact CD1-CG1 4.21Å; L269-V352 HydrophobicContact CD2-CG1 4.22Å; L269-L356 HydrophobicContact CD1-CD1 4.09Å; L269-L356 HydrophobicContact CD1-CD2 3.99Å; L269-L356 HydrophobicContact CD1-CG 4.43Å; L269-Y380 HydrophobicContact CB-CD1 4.23Å; L269-Y380 HydrophobicContact CB-CE1 3.71Å; L269-Y380 HydrophobicContact CD1-CD1 3.95Å; L269-Y380 HydrophobicContact CD1-CE1 4.28Å; L269-Y380 HydrophobicContact CD1-CG 4.43Å; L269-Y380 HydrophobicContact CG-CD1 4.47Å; L269-Y380 HydrophobicContact CG-CE1 4.42Å; L269-W383 HydrophobicContact CD2-CZ3 3.92Å; L269-I384 HydrophobicContact CD2-CD1 4.09Å
270V97.9Very high95Very high0 Ų022 Ų220%010%0.097CC..Hα-helixtrans-62.2-47.41751710000110.9W266 L267 I272 I273 L274 L311 V314 F345 L395 L399W266-V270 WeakPolarHBondContact O-CG2 3.31Å; W266-V270 PolarHBondContact O-N 3.1Å; W266-V270 VanDerWaalsContact O-N 3.1Å; L267-V270 WeakPolarHBondContact O-CB 3.38Å; L267-V270 PolarHBondContact O-N 3.08Å; V270-I272 PolarHBondContact O-N 3.41Å; V270-I273 PolarHBondContact O-N 3.39Å; V270-L274 HydrophobicContact CG1-CD1 3.7Å; V270-L274 HydrophobicContact CG1-CG 4.15Å; V270-L274 WeakPolarHBondContact O-CB 3.48Å; V270-L274 VanDerWaalsContact O-CG 3.26Å; V270-L274 WeakPolarHBondContact O-CG 3.33Å; V270-L274 PolarHBondContact O-N 3.36Å; V270-L311 HydrophobicContact CG1-CD1 3.87Å; V270-L311 HydrophobicContact CG2-CD1 4.46Å; V270-V314 HydrophobicContact CB-CG1 4.42Å; V270-V314 HydrophobicContact CG1-CG1 3.94Å; V270-F345 HydrophobicContact CG2-CE2 3.84Å; V270-F345 HydrophobicContact CG2-CZ 3.94Å; V270-L395 HydrophobicContact CG2-CD2 3.59Å; V270-L395 HydrophobicContact CG2-CG 4.23Å; V270-L399 HydrophobicContact CG1-CD2 3.9Å; V270-L399 HydrophobicContact CG2-CD1 4.44Å
271D98.3Very high95.5Very high0 Ų015.9 Ų15.90%07%0.07CC..Hα-helixtrans-56-44.8178.1179.187.3000112.7L267 S268 A275 S299 G300 T301 Y308 V314L267-D271 PolarHBondContact O-N 3.23Å; S268-D271 PolarHBondContact O-N 3.44Å; D271-A275 PolarHBondContact O-N 2.85Å; D271-S299 WeakPolarHBondContact OD2-CA 3.28Å; D271-S299 WeakPolarHBondContact OD2-CB 3.35Å; D271-S299 PolarHBondContact OD2-OG 3.04Å; D271-G300 PolarHBondContact OD1-N 3.45Å; D271-G300 PolarHBondContact OD2-N 3.27Å; D271-T301 VanDerWaalsContact CG-OG1 3.31Å; D271-T301 WeakPolarHBondContact OD2-CB 3.43Å; D271-T301 PolarHBondContact OD2-N 3.38Å; D271-T301 PolarHBondContact OD2-OG1 3.43Å; D271-Y308 HydrophobicContact CB-CE2 3.78Å; D271-Y308 WeakPolarHBondContact OD1-CE2 3.2Å; D271-Y308 VanDerWaalsContact OD1-CZ 3.31Å; D271-Y308 PolarHBondContact OD1-OH 3.39Å; D271-V314 HydrophobicContact CB-CG1 3.75Å
272I98.4Very high95.9Very high0 Ų016 Ų160%07%0.07CC..Hα-helixtrans-66.3-44.6176.1-67.8165.5000111.5S268 V270 L274 A275 Y276 T301 L302 L356 I359 I377 Y380S268-I272 WeakPolarHBondContact O-CG1 3.17Å; S268-I272 PolarHBondContact O-N 3.14Å; V270-I272 PolarHBondContact O-N 3.41Å; I272-L274 VanDerWaalsContact C-N 3.34Å; I272-L274 PolarHBondContact O-N 2.84Å; I272-A275 PolarHBondContact O-N 3.03Å; I272-Y276 PolarHBondContact O-N 2.98Å; I272-Y276 VanDerWaalsContact O-N 3.12Å; I272-T301 HydrophobicContact CD1-CG2 4.36Å; I272-L302 HydrophobicContact CD1-CD2 4.17Å; I272-L302 HydrophobicContact CD1-CG 4.42Å; I272-L302 HydrophobicContact CG1-CD1 4.21Å; I272-L302 HydrophobicContact CG1-CD2 4.35Å; I272-L302 HydrophobicContact CG1-CG 4.05Å; I272-L356 HydrophobicContact CG2-CD2 4.47Å; I272-I359 HydrophobicContact CG2-CD1 3.78Å; I272-I377 HydrophobicContact CD1-CD1 4.22Å; I272-I377 HydrophobicContact CG2-CD1 4.15Å; I272-Y380 HydrophobicContact CD1-CD2 4.01Å; I272-Y380 HydrophobicContact CD1-CE2 3.68Å
273I98.4Very high96.4Very high0 Ų011.9 Ų11.90%06%0.057CC..Hα-helixtrans-68.2-32.8-179.7-67.3-67.5000111.6L269 V270 Y276 C277 A341 V344 F345 V352 C355L269-I273 HydrophobicContact CD1-CG1 3.95Å; L269-I273 HydrophobicContact CG-CG1 4.41Å; L269-I273 WeakPolarHBondContact O-CB 3.33Å; L269-I273 VanDerWaalsContact O-CG1 3.24Å; L269-I273 WeakPolarHBondContact O-CG1 3.31Å; L269-I273 PolarHBondContact O-N 3.3Å; V270-I273 PolarHBondContact O-N 3.39Å; I273-Y276 PolarHBondContact O-N 3.33Å; I273-C277 WeakPolarHBondContact O-CB 3.49Å; I273-C277 PolarHBondContact O-N 3.03Å; I273-C277 PolarHBondContact O-SG 2.82Å; I273-A341 HydrophobicContact CG2-CB 4.01Å; I273-V344 HydrophobicContact CG2-CG1 4.23Å; I273-F345 HydrophobicContact CB-CE2 4.31Å; I273-F345 HydrophobicContact CB-CZ 4.16Å; I273-F345 HydrophobicContact CG1-CZ 4.04Å; I273-F345 HydrophobicContact CG2-CE2 4.09Å; I273-F345 HydrophobicContact CG2-CZ 4.28Å; I273-V352 HydrophobicContact CD1-CG1 4.37Å; I273-C355 HydrophobicContact CD1-CB 3.77Å
274L98.4Very high96.7Very high0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-63.5-46.6173.5-75.2167000112V270 I272 Y276 C277 Y278 V314 L315 F318 V338 A341V270-L274 HydrophobicContact CG1-CD1 3.7Å; V270-L274 HydrophobicContact CG1-CG 4.15Å; V270-L274 WeakPolarHBondContact O-CB 3.48Å; V270-L274 VanDerWaalsContact O-CG 3.26Å; V270-L274 WeakPolarHBondContact O-CG 3.33Å; V270-L274 PolarHBondContact O-N 3.36Å; I272-L274 VanDerWaalsContact C-N 3.34Å; I272-L274 PolarHBondContact O-N 2.84Å; L274-Y276 VanDerWaalsContact C-N 3.32Å; L274-Y276 PolarHBondContact O-N 2.97Å; L274-C277 PolarHBondContact O-N 3.02Å; L274-Y278 PolarHBondContact O-N 3.14Å; L274-V314 HydrophobicContact CD1-CG1 3.83Å; L274-L315 HydrophobicContact CD1-CD2 3.62Å; L274-L315 HydrophobicContact CD2-CD2 4.47Å; L274-F318 HydrophobicContact CB-CD1 4.05Å; L274-F318 HydrophobicContact CB-CD2 3.81Å; L274-F318 HydrophobicContact CB-CE1 4.14Å; L274-F318 HydrophobicContact CB-CE2 3.91Å; L274-F318 HydrophobicContact CB-CG 3.88Å; L274-F318 HydrophobicContact CB-CZ 4.07Å; L274-F318 HydrophobicContact CD1-CB 4.24Å; L274-F318 HydrophobicContact CD1-CD1 4.12Å; L274-F318 HydrophobicContact CD1-CG 4.17Å; L274-F318 HydrophobicContact CD2-CD1 4.24Å; L274-F318 HydrophobicContact CD2-CE1 4.14Å; L274-F318 HydrophobicContact CG-CD1 4.38Å; L274-F318 WeakPolarHBondContact O-CE2 3.16Å; L274-V338 HydrophobicContact CD2-CB 4.21Å; L274-V338 HydrophobicContact CD2-CG2 3.68Å; L274-A341 HydrophobicContact CD2-CB 3.7Å; L274-A341 HydrophobicContact CG-CB 4.23Å
275A98.3Very high96.7Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-58.3-4417600000111.9D271 I272 Y278 E279 I295 L298D271-A275 PolarHBondContact O-N 2.85Å; I272-A275 PolarHBondContact O-N 3.03Å; A275-Y278 PolarHBondContact O-N 3.32Å; A275-E279 WeakPolarHBondContact O-CB 2.98Å; A275-E279 PolarHBondContact O-N 2.98Å; A275-I295 HydrophobicContact CB-CG2 4.38Å; A275-I295 WeakPolarHBondContact CB-O 3.4Å; A275-L298 HydrophobicContact CB-CB 3.77Å
276Y98.3Very high96.7Very high1 Ų120.4 Ų20.40%0.00411%0.107CC..Hα-helixtrans-67.7-38.8175.4173.3-100.6000113.7W222 I272 I273 L274 Y278 E279 L280 I295 C355 D358 I359W222-Y276 HydrophobicContact CH2-CD1 4.46Å; W222-Y276 HydrophobicContact CH2-CE1 4.04Å; W222-Y276 HydrophobicContact CZ3-CD1 4.5Å; W222-Y276 AromaticContact CZ3-CE1 3.7Å; W222-Y276 HydrophobicContact CZ3-CE1 3.7Å; I272-Y276 PolarHBondContact O-N 2.98Å; I272-Y276 VanDerWaalsContact O-N 3.12Å; I273-Y276 PolarHBondContact O-N 3.33Å; L274-Y276 VanDerWaalsContact C-N 3.32Å; L274-Y276 PolarHBondContact O-N 2.97Å; Y276-Y278 VanDerWaalsContact C-N 3.3Å; Y276-Y278 PolarHBondContact O-N 3.21Å; Y276-E279 PolarHBondContact O-N 3.29Å; Y276-L280 PolarHBondContact O-N 3.44Å; Y276-I295 HydrophobicContact CD2-CD1 4.28Å; Y276-C355 HydrophobicContact CD1-CB 3.83Å; Y276-C355 HydrophobicContact CE1-CB 3.52Å; Y276-D358 HydrophobicContact CE2-CB 4.12Å; Y276-D358 WeakPolarHBondContact CE2-OD2 3.3Å; Y276-D358 VanDerWaalsContact CZ-OD2 3.32Å; Y276-D358 PolarHBondContact OH-OD2 3.29Å; Y276-I359 HydrophobicContact CD2-CD1 4.03Å; Y276-I359 HydrophobicContact CD2-CG1 3.47Å; Y276-I359 VanDerWaalsContact CD2-CG1 3.47Å; Y276-I359 HydrophobicContact CE2-CG1 4.15Å; Y276-I359 HydrophobicContact CG-CD1 3.86Å; Y276-I359 HydrophobicContact CG-CG1 3.86Å
277C97.9Very high96.6Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-67.3-30.1176.1-69.80000112.7W222 I273 L274 R281 A337 D340W222-C277 HydrophobicContact CZ2-CB 4.39Å; I273-C277 WeakPolarHBondContact O-CB 3.49Å; I273-C277 PolarHBondContact O-N 3.03Å; I273-C277 PolarHBondContact O-SG 2.82Å; L274-C277 PolarHBondContact O-N 3.02Å; C277-R281 WeakPolarHBondContact O-CG 3.11Å; C277-A337 HydrophobicContact CB-CB 4.26Å; C277-D340 HydrophobicContact CB-CB 3.9Å
278Y98.2Very high96.5Very high3 Ų325.3 Ų25.31%0.01213%0.134CC..Hα-helixtrans-68.5-52.8168.9175.4-81.9000110.4L274 A275 Y276 L280 R281 T282 T294 L298 V322 P326 Y328 L333L274-Y278 PolarHBondContact O-N 3.14Å; A275-Y278 PolarHBondContact O-N 3.32Å; Y276-Y278 VanDerWaalsContact C-N 3.3Å; Y276-Y278 PolarHBondContact O-N 3.21Å; Y278-L280 PolarHBondContact O-N 2.97Å; Y278-R281 WeakPolarHBondContact O-CB 3.4Å; Y278-R281 PolarHBondContact O-N 3Å; Y278-T282 HydrophobicContact CD1-CG2 4.1Å; Y278-T282 HydrophobicContact CE1-CG2 3.5Å; Y278-T282 HydrophobicContact CE2-CG2 4.06Å; Y278-T282 VanDerWaalsContact CZ-CG2 3.48Å; Y278-T282 PolarHBondContact O-N 2.88Å; Y278-T282 PolarHBondContact O-OG1 3.48Å; Y278-T294 HydrophobicContact CD1-CG2 3.89Å; Y278-T294 HydrophobicContact CE1-CG2 3.9Å; Y278-L298 HydrophobicContact CD1-CD1 3.16Å; Y278-L298 HydrophobicContact CD2-CD1 4.33Å; Y278-L298 HydrophobicContact CE1-CD1 3.63Å; Y278-L298 HydrophobicContact CG-CD1 3.56Å; Y278-V322 HydrophobicContact CD2-CG1 3.93Å; Y278-V322 HydrophobicContact CD2-CG2 3.82Å; Y278-V322 HydrophobicContact CE2-CB 4.39Å; Y278-V322 HydrophobicContact CE2-CG1 3.44Å; Y278-V322 VanDerWaalsContact CE2-CG1 3.44Å; Y278-V322 HydrophobicContact CE2-CG2 4.06Å; Y278-V322 HydrophobicContact CG-CG2 4.34Å; Y278-P326 HydrophobicContact CE1-CB 4.02Å; Y278-P326 HydrophobicContact CE1-CG 4.22Å; Y278-P326 WeakPolarHBondContact OH-CB 3.27Å; Y278-P326 VanDerWaalsContact OH-CG 3.29Å; Y278-P326 WeakPolarHBondContact OH-CG 3.15Å; Y278-Y328 PolarHBondContact OH-O 3.35Å; Y278-L333 HydrophobicContact CD2-CB 4.19Å; Y278-L333 HydrophobicContact CE2-CB 3.9Å; Y278-L333 HydrophobicContact CE2-CD1 4.02Å
279E97.5Very high96.3Very high2 Ų230.4 Ų30.41%0.00916%0.164CC..Hα-helixtrans-53.1-52.7-176.7173.956.6-160.300111.7A275 Y276 R281 T282 T283 S291 T294 I295A275-E279 WeakPolarHBondContact O-CB 2.98Å; A275-E279 PolarHBondContact O-N 2.98Å; Y276-E279 PolarHBondContact O-N 3.29Å; E279-R281 PolarHBondContact O-N 3.01Å; E279-R281 VanDerWaalsContact O-N 3.14Å; E279-T282 WeakPolarHBondContact CA-OG1 3.41Å; E279-T282 PolarHBondContact O-N 3.19Å; E279-T282 PolarHBondContact O-OG1 3.01Å; E279-T283 PolarHBondContact O-N 3.34Å; E279-T283 PolarHBondContact O-OG1 3.45Å; E279-T283 WeakPolarHBondContact OE1-CG2 3.14Å; E279-S291 VanDerWaalsContact OE1-CA 3.27Å; E279-S291 WeakPolarHBondContact OE1-CA 3.25Å; E279-S291 WeakPolarHBondContact OE1-CB 3.49Å; E279-S291 PolarHBondContact OE1-OG 3.19Å; E279-T294 HydrophobicContact CB-CG2 4.44Å; E279-T294 WeakPolarHBondContact OE2-CB 3.32Å; E279-T294 WeakPolarHBondContact OE2-CG2 3.31Å; E279-T294 PolarHBondContact OE2-OG1 3.18Å; E279-I295 HydrophobicContact CB-CD1 4.47Å; E279-I295 HydrophobicContact CB-CG1 3.83Å; E279-I295 HydrophobicContact CG-CD1 4.09Å; E279-I295 HydrophobicContact CG-CG1 3.84Å
280L96.7Very high96.1Very high3 Ų335.2 Ų35.22%0.01619%0.187CC..Hα-helixtrans-63.8-21.9-178.3-157.679.6000113.3F218 P220 W222 Y276 Y278 E284 G285F218-L280 VanDerWaalsContact CE1-O 3.25Å; F218-L280 WeakPolarHBondContact CE1-O 3.45Å; P220-L280 HydrophobicContact CB-CD2 4.29Å; W222-L280 HydrophobicContact CE3-CD2 4.34Å; W222-L280 HydrophobicContact CH2-CB 4.19Å; W222-L280 HydrophobicContact CH2-CD2 3.39Å; W222-L280 HydrophobicContact CH2-CG 4.42Å; W222-L280 HydrophobicContact CZ2-CD2 4.38Å; W222-L280 HydrophobicContact CZ3-CD2 3.36Å; Y276-L280 PolarHBondContact O-N 3.44Å; Y278-L280 PolarHBondContact O-N 2.97Å; L280-E284 PolarHBondContact O-N 2.57Å; L280-G285 PolarHBondContact O-N 3.36Å; L280-G285 VanDerWaalsContact O-N 3.09Å
281R95.4Very high96Very high12 Ų1235.2 Ų35.25%0.04519%0.187CC..Hα-helixtrans-77.5-46.6170.4-73.9-177.8178.1-74.95.7111.4F218 P220 C277 Y278 E279 T283 E284 A336 D340F218-R281 HydrophobicContact CD1-CG 4.41Å; F218-R281 PolarHBondContact O-NH1 3.44Å; P220-R281 HydrophobicContact CG-CG 4.46Å; C277-R281 WeakPolarHBondContact O-CG 3.11Å; Y278-R281 WeakPolarHBondContact O-CB 3.4Å; Y278-R281 PolarHBondContact O-N 3Å; E279-R281 PolarHBondContact O-N 3.01Å; E279-R281 VanDerWaalsContact O-N 3.14Å; R281-T283 PolarHBondContact O-N 3.41Å; R281-E284 PolarHBondContact O-N 3.25Å; R281-A336 PolarHBondContact NE-O 3.46Å; R281-A336 PolarHBondContact NH2-O 3.48Å; R281-D340 IonicContact CZ-OD1 3.56Å; R281-D340 IonicContact CZ-OD2 3.53Å; R281-D340 IonicContact NE-OD2 2.88Å; R281-D340 PolarHBondContact NE-OD2 3.12Å; R281-D340 IonicContact NH1-OD2 2.8Å; R281-D340 IonicContact NH2-OD1 2.81Å; R281-D340 PolarHBondContact NH2-OD1 3.43Å; R281-D340 IonicContact NH2-OD2 3.02Å; R281-D340 PolarHBondContact NH2-OD2 3.42Å
282T96.1Very high95.8Very high23 Ų2335.6 Ų35.614%0.14119%0.189CC..Hα-helixtrans-70.1-17.2-177.546.30000113.9L215 Y278 E279 Y328 L333L215-T282 HydrophobicContact CD1-CG2 4.3Å; Y278-T282 HydrophobicContact CD1-CG2 4.1Å; Y278-T282 HydrophobicContact CE1-CG2 3.5Å; Y278-T282 HydrophobicContact CE2-CG2 4.06Å; Y278-T282 VanDerWaalsContact CZ-CG2 3.48Å; Y278-T282 PolarHBondContact O-N 2.88Å; Y278-T282 PolarHBondContact O-OG1 3.48Å; E279-T282 WeakPolarHBondContact CA-OG1 3.41Å; E279-T282 PolarHBondContact O-N 3.19Å; E279-T282 PolarHBondContact O-OG1 3.01Å; T282-Y328 HydrophobicContact CG2-CD2 3.98Å; T282-L333 HydrophobicContact CG2-CD1 4.44Å
283T96Very high95.6Very high22 Ų2239.3 Ų39.314%0.13520%0.203CC..THydrogen-bonded Turntrans-110.58.8174.159.70000114.2E279 R281 G285 E286 N288E279-T283 PolarHBondContact O-N 3.34Å; E279-T283 PolarHBondContact O-OG1 3.45Å; E279-T283 WeakPolarHBondContact OE1-CG2 3.14Å; R281-T283 PolarHBondContact O-N 3.41Å; T283-G285 PolarHBondContact O-N 3.02Å; T283-E286 VanDerWaalsContact CB-O 3.3Å; T283-E286 WeakPolarHBondContact CB-O 3.37Å; T283-E286 PolarHBondContact O-N 3.41Å; T283-N288 WeakPolarHBondContact CG2-ND2 3.48Å
284E94.3Very high95.5Very high114 Ų11440 Ų4053%0.53321%0.207SC..THydrogen-bonded Turntrans49.526.8-179.9-55.9-165.710500114.7L215 F218 L280 R281L215-E284 HydrophobicContact CD2-CG 3.85Å; F218-E284 HydrophobicContact CD2-CB 3.84Å; F218-E284 HydrophobicContact CD2-CG 4.2Å; F218-E284 HydrophobicContact CE2-CB 3.96Å; F218-E284 WeakPolarHBondContact CE2-O 3.42Å; F218-E284 HydrophobicContact CG-CB 4.39Å; F218-E284 HydrophobicContact CG-CG 4.41Å; F218-E284 WeakPolarHBondContact CZ-O 3.25Å; L280-E284 PolarHBondContact O-N 2.57Å; R281-E284 PolarHBondContact O-N 3.25Å
285G92.3Very high95.5Very high34 Ų3440 Ų4035%0.35121%0.207SC..THydrogen-bonded Turntrans102.9-7.6179.200000116.6L280 T283L280-G285 PolarHBondContact O-N 3.36Å; L280-G285 VanDerWaalsContact O-N 3.09Å; T283-G285 PolarHBondContact O-N 3.02Å
286E93.1Very high95.3Very high162 Ų16241 Ų4176%0.75721%0.211SC*.  trans-115.6106.5-175-64.3-167.2168.700112.6T283T283-E286 VanDerWaalsContact CB-O 3.3Å; T283-E286 WeakPolarHBondContact CB-O 3.37Å; T283-E286 PolarHBondContact O-N 3.41Å
287H93.7Very high95.2Very high63 Ų6342.4 Ų42.429%0.29222%0.217SC..  trans-61.1144.9179.8-58.4-59.2000112.8S291 D358 V362H287-S291 WeakPolarHBondContact CA-OG 3.46Å; H287-D358 IonicContact CD2-OD1 3.8Å; H287-D358 IonicContact CE1-OD2 3.57Å; H287-D358 IonicContact NE2-OD1 3.91Å; H287-D358 PolarHBondContact NE2-OD1 3.21Å; H287-D358 IonicContact NE2-OD2 2.63Å; H287-D358 PolarHBondContact NE2-OD2 3.33Å; H287-V362 HydrophobicContact CB-CG2 4.21Å
288N93Very high95.2Very high80 Ų8042.4 Ų42.443%0.42822%0.217SC..  trans-128.5-174.3178.26758.1000111T283 E290 S291T283-N288 WeakPolarHBondContact CG2-ND2 3.48Å; N288-E290 PolarHBondContact O-N 2.94Å; N288-E290 WeakPolarHBondContact OD1-CA 3.39Å; N288-E290 WeakPolarHBondContact OD1-CB 3.49Å; N288-E290 PolarHBondContact OD1-N 3.36Å; N288-S291 PolarHBondContact N-OG 3.49Å; N288-S291 WeakPolarHBondContact O-CB 3.48Å; N288-S291 PolarHBondContact O-N 2.86Å; N288-S291 VanDerWaalsContact O-N 3.16Å; N288-S291 PolarHBondContact O-OG 3.22Å; N288-S291 PolarHBondContact OD1-N 3.48Å
289V92.1Very high95.2Very high120 Ų12042.3 Ų42.373%0.72722%0.217SC*.THydrogen-bonded Turntrans-64-23.9-176.4-60.90000114.2P292V289-P292 WeakPolarHBondContact O-CD 3.38Å
290E93.1Very high95.1Very high101 Ų10142.2 Ų42.247%0.47222%0.216SC..THydrogen-bonded Turntrans-91.9-13177.3-59.1-55.6147.800113N288 P292 W293 T294N288-E290 PolarHBondContact O-N 2.94Å; N288-E290 WeakPolarHBondContact OD1-CA 3.39Å; N288-E290 WeakPolarHBondContact OD1-CB 3.49Å; N288-E290 PolarHBondContact OD1-N 3.36Å; E290-P292 VanDerWaalsContact C-CD 3.42Å; E290-W293 CarbonylContact O-C 3.59Å; E290-W293 VanDerWaalsContact O-CA 3.27Å; E290-W293 WeakPolarHBondContact O-CA 3.23Å; E290-W293 VanDerWaalsContact O-CB 3.25Å; E290-W293 WeakPolarHBondContact O-CB 3.25Å; E290-W293 PolarHBondContact O-N 3.47Å; E290-T294 PolarHBondContact O-N 3.27Å; E290-T294 PolarHBondContact O-OG1 2.72Å
291S95.4Very high95Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-52.9-42.7177.6-56.70000114.3E279 H287 N288 W293 T294 I295E279-S291 VanDerWaalsContact OE1-CA 3.27Å; E279-S291 WeakPolarHBondContact OE1-CA 3.25Å; E279-S291 WeakPolarHBondContact OE1-CB 3.49Å; E279-S291 PolarHBondContact OE1-OG 3.19Å; H287-S291 WeakPolarHBondContact CA-OG 3.46Å; N288-S291 PolarHBondContact N-OG 3.49Å; N288-S291 WeakPolarHBondContact O-CB 3.48Å; N288-S291 PolarHBondContact O-N 2.86Å; N288-S291 VanDerWaalsContact O-N 3.16Å; N288-S291 PolarHBondContact O-OG 3.22Å; N288-S291 PolarHBondContact OD1-N 3.48Å; S291-W293 VanDerWaalsContact C-N 3.25Å; S291-W293 PolarHBondContact O-N 3.06Å; S291-T294 PolarHBondContact O-N 3.4Å; S291-I295 VanDerWaalsContact O-CG1 3.28Å; S291-I295 WeakPolarHBondContact O-CG1 3.22Å; S291-I295 PolarHBondContact O-N 3.25Å; S291-I295 VanDerWaalsContact O-N 3.07Å
292P94.7Very high95Very high7 Ų741.6 Ų41.65%0.04521%0.214CC..Hα-helixtrans-60.2-36.2171.5-16.727.4000112.5V289 E290 R296 V362 F363 N366 A369V289-P292 WeakPolarHBondContact O-CD 3.38Å; E290-P292 VanDerWaalsContact C-CD 3.42Å; P292-R296 WeakPolarHBondContact O-CB 3.32Å; P292-R296 WeakPolarHBondContact O-CD 3.45Å; P292-R296 WeakPolarHBondContact O-CG 3.37Å; P292-R296 PolarHBondContact O-N 3.09Å; P292-V362 HydrophobicContact CB-CG1 4.05Å; P292-V362 HydrophobicContact CG-CG1 3.6Å; P292-F363 HydrophobicContact CB-CD1 4.22Å; P292-F363 HydrophobicContact CB-CE1 4.46Å; P292-N366 HydrophobicContact CB-CB 3.65Å; P292-N366 HydrophobicContact CG-CB 3.58Å; P292-A369 HydrophobicContact CB-CB 4.41Å
293W95.1Very high94.9Very high78 Ų7840.5 Ų40.530%0.29521%0.207SC..Hα-helixtrans-71.7-45179.2-174.2110.4000111.8E290 S291 R296 K297E290-W293 CarbonylContact O-C 3.59Å; E290-W293 VanDerWaalsContact O-CA 3.27Å; E290-W293 WeakPolarHBondContact O-CA 3.23Å; E290-W293 VanDerWaalsContact O-CB 3.25Å; E290-W293 WeakPolarHBondContact O-CB 3.25Å; E290-W293 PolarHBondContact O-N 3.47Å; S291-W293 VanDerWaalsContact C-N 3.25Å; S291-W293 PolarHBondContact O-N 3.06Å; W293-R296 WeakPolarHBondContact O-CG 3.37Å; W293-K297 HydrophobicContact CD2-CB 4.38Å; W293-K297 HydrophobicContact CD2-CG 3.71Å; W293-K297 HydrophobicContact CE3-CB 4.23Å; W293-K297 HydrophobicContact CE3-CG 4.06Å; W293-K297 HydrophobicContact CG-CG 4.2Å; W293-K297 HydrophobicContact CH2-CB 4.47Å; W293-K297 HydrophobicContact CH2-CG 4.27Å; W293-K297 HydrophobicContact CZ2-CD 4.35Å; W293-K297 HydrophobicContact CZ2-CG 3.95Å; W293-K297 HydrophobicContact CZ3-CB 4.27Å; W293-K297 HydrophobicContact CZ3-CG 4.32Å; W293-K297 WeakPolarHBondContact O-CB 3.45Å; W293-K297 WeakPolarHBondContact O-CG 3.41Å; W293-K297 PolarHBondContact O-N 2.97Å
294T96.4Very high94.8Very high15 Ų1540 Ų409%0.09220%0.203CC..Hα-helixtrans-64.4-49.6178.5-53.50000111.1Y278 E279 E290 S291 R296 K297 L298Y278-T294 HydrophobicContact CD1-CG2 3.89Å; Y278-T294 HydrophobicContact CE1-CG2 3.9Å; E279-T294 HydrophobicContact CB-CG2 4.44Å; E279-T294 WeakPolarHBondContact OE2-CB 3.32Å; E279-T294 WeakPolarHBondContact OE2-CG2 3.31Å; E279-T294 PolarHBondContact OE2-OG1 3.18Å; E290-T294 PolarHBondContact O-N 3.27Å; E290-T294 PolarHBondContact O-OG1 2.72Å; S291-T294 PolarHBondContact O-N 3.4Å; T294-R296 PolarHBondContact O-N 2.85Å; T294-K297 PolarHBondContact O-N 2.92Å; T294-L298 HydrophobicContact CG2-CD1 3.57Å; T294-L298 HydrophobicContact CG2-CG 4.07Å; T294-L298 WeakPolarHBondContact O-CB 3.13Å; T294-L298 WeakPolarHBondContact O-CG 3.48Å; T294-L298 PolarHBondContact O-N 3.01Å
295I97.1Very high94.8Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-61.1-46.4-177.9-61.4165.7000110.5A275 Y276 E279 S291 S299 L302 I359 V362 F363A275-I295 HydrophobicContact CB-CG2 4.38Å; A275-I295 WeakPolarHBondContact CB-O 3.4Å; Y276-I295 HydrophobicContact CD2-CD1 4.28Å; E279-I295 HydrophobicContact CB-CD1 4.47Å; E279-I295 HydrophobicContact CB-CG1 3.83Å; E279-I295 HydrophobicContact CG-CD1 4.09Å; E279-I295 HydrophobicContact CG-CG1 3.84Å; S291-I295 VanDerWaalsContact O-CG1 3.28Å; S291-I295 WeakPolarHBondContact O-CG1 3.22Å; S291-I295 PolarHBondContact O-N 3.25Å; S291-I295 VanDerWaalsContact O-N 3.07Å; I295-S299 WeakPolarHBondContact O-CB 3.35Å; I295-S299 PolarHBondContact O-N 2.92Å; I295-L302 HydrophobicContact CG2-CD1 4.4Å; I295-I359 HydrophobicContact CD1-CG1 4.44Å; I295-I359 HydrophobicContact CG2-CG2 4.22Å; I295-V362 HydrophobicContact CD1-CG1 4.23Å; I295-F363 HydrophobicContact CB-CE1 4.12Å; I295-F363 HydrophobicContact CB-CZ 4.15Å; I295-F363 HydrophobicContact CG2-CE1 4.19Å; I295-F363 HydrophobicContact CG2-CZ 3.75Å
296R95.3Very high94.8Very high22 Ų2233.2 Ų33.28%0.08316%0.162CC..Hα-helixtrans-66.1-45.7177.578.2-166.8179.9156.613.6111.1D170 P292 W293 T294 L298 S299 L302 C303 F363 L372D170-R296 PolarHBondContact O-NH1 2.66Å; D170-R296 PolarHBondContact O-NH2 2.63Å; P292-R296 WeakPolarHBondContact O-CB 3.32Å; P292-R296 WeakPolarHBondContact O-CD 3.45Å; P292-R296 WeakPolarHBondContact O-CG 3.37Å; P292-R296 PolarHBondContact O-N 3.09Å; W293-R296 WeakPolarHBondContact O-CG 3.37Å; T294-R296 PolarHBondContact O-N 2.85Å; R296-L298 PolarHBondContact O-N 3.37Å; R296-S299 PolarHBondContact O-N 2.66Å; R296-S299 VanDerWaalsContact O-O 3.05Å; R296-L302 HydrophobicContact CB-CB 4.47Å; R296-C303 VanDerWaalsContact O-CB 3.31Å; R296-C303 WeakPolarHBondContact O-CB 3.45Å; R296-F363 HydrophobicContact CB-CZ 4.35Å; R296-L372 HydrophobicContact CB-CD1 3.94Å
297K95.9Very high94.7Very high29 Ų2928 Ų2813%0.12614%0.141CC..Hα-helixtrans-71.5-28.5-174.9-71.5-77.5175.6174.10113.2D173 W293 T294 R321D173-K297 IonicContact OD1-NZ 3.55Å; D173-K297 PolarHBondContact OD1-NZ 3.3Å; D173-K297 IonicContact OD2-NZ 2.65Å; W293-K297 HydrophobicContact CD2-CB 4.38Å; W293-K297 HydrophobicContact CD2-CG 3.71Å; W293-K297 HydrophobicContact CE3-CB 4.23Å; W293-K297 HydrophobicContact CE3-CG 4.06Å; W293-K297 HydrophobicContact CG-CG 4.2Å; W293-K297 HydrophobicContact CH2-CB 4.47Å; W293-K297 HydrophobicContact CH2-CG 4.27Å; W293-K297 HydrophobicContact CZ2-CD 4.35Å; W293-K297 HydrophobicContact CZ2-CG 3.95Å; W293-K297 HydrophobicContact CZ3-CB 4.27Å; W293-K297 HydrophobicContact CZ3-CG 4.32Å; W293-K297 WeakPolarHBondContact O-CB 3.45Å; W293-K297 WeakPolarHBondContact O-CG 3.41Å; W293-K297 PolarHBondContact O-N 2.97Å; T294-K297 PolarHBondContact O-N 2.92Å; K297-R321 PolarHBondContact O-NE 3.36Å; K297-R321 PolarHBondContact O-NH2 3.06Å
298L97.6Very high94.6Very high1 Ų125.1 Ų25.11%0.00513%0.128CC..Hα-helixtrans-81.8-23.4175.4-64-176.7000113.4A275 Y278 T294 R296 F318 R321 V322 P326A275-L298 HydrophobicContact CB-CB 3.77Å; Y278-L298 HydrophobicContact CD1-CD1 3.16Å; Y278-L298 HydrophobicContact CD2-CD1 4.33Å; Y278-L298 HydrophobicContact CE1-CD1 3.63Å; Y278-L298 HydrophobicContact CG-CD1 3.56Å; T294-L298 HydrophobicContact CG2-CD1 3.57Å; T294-L298 HydrophobicContact CG2-CG 4.07Å; T294-L298 WeakPolarHBondContact O-CB 3.13Å; T294-L298 WeakPolarHBondContact O-CG 3.48Å; T294-L298 PolarHBondContact O-N 3.01Å; R296-L298 PolarHBondContact O-N 3.37Å; L298-F318 HydrophobicContact CB-CD2 4.42Å; L298-F318 HydrophobicContact CB-CE2 4.4Å; L298-F318 HydrophobicContact CD1-CE2 4.46Å; L298-R321 HydrophobicContact CD2-CB 4.1Å; L298-V322 HydrophobicContact CD1-CG2 3.98Å; L298-V322 HydrophobicContact CD2-CB 4.39Å; L298-V322 HydrophobicContact CD2-CG2 3.8Å; L298-V322 HydrophobicContact CG-CG2 4.44Å; L298-P326 HydrophobicContact CD2-CG 4.17Å
299S97.6Very high94.5Very high0 Ų025 Ų250%013%0.134CC..  trans-84.9112.5173.5172.50000111.9D271 I295 R296 T301 L302 C303D271-S299 WeakPolarHBondContact OD2-CA 3.28Å; D271-S299 WeakPolarHBondContact OD2-CB 3.35Å; D271-S299 PolarHBondContact OD2-OG 3.04Å; I295-S299 WeakPolarHBondContact O-CB 3.35Å; I295-S299 PolarHBondContact O-N 2.92Å; R296-S299 PolarHBondContact O-N 2.66Å; R296-S299 VanDerWaalsContact O-O 3.05Å; S299-T301 PolarHBondContact O-N 2.86Å; S299-T301 WeakPolarHBondContact OG-CB 3.36Å; S299-T301 PolarHBondContact OG-N 3.28Å; S299-L302 PolarHBondContact O-N 2.93Å; S299-L302 WeakPolarHBondContact OG-CG 3.43Å; S299-L302 PolarHBondContact OG-N 3.29Å; S299-L302 VanDerWaalsContact OG-N 3.08Å; S299-C303 PolarHBondContact O-N 3.3Å; S299-C303 VanDerWaalsContact O-N 3.08Å
300G95.8Very high94.5Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-66.3-23.8170.900000112.8D271 W304 L305 E306 Y308D271-G300 PolarHBondContact OD1-N 3.45Å; D271-G300 PolarHBondContact OD2-N 3.27Å; G300-W304 CarbonylContact O-C 3.57Å; G300-W304 WeakPolarHBondContact O-CA 3.46Å; G300-W304 WeakPolarHBondContact O-CB 3.36Å; G300-W304 PolarHBondContact O-N 2.92Å; G300-W304 VanDerWaalsContact O-N 3.14Å; G300-L305 PolarHBondContact O-N 3.06Å; G300-E306 PolarHBondContact O-N 3.34Å; G300-Y308 WeakPolarHBondContact CA-OH 3.39Å
301T95.9Very high94.5Very high2 Ų217.5 Ų17.51%0.01210%0.096CC..Hα-helixtrans-63.9-46.7170.3-51.70000111.4S268 D271 I272 S299 L305 Y376S268-T301 VanDerWaalsContact CB-CG2 3.48Å; S268-T301 VanDerWaalsContact CB-OG1 3.27Å; S268-T301 WeakPolarHBondContact CB-OG1 3.48Å; D271-T301 VanDerWaalsContact CG-OG1 3.31Å; D271-T301 WeakPolarHBondContact OD2-CB 3.43Å; D271-T301 PolarHBondContact OD2-N 3.38Å; D271-T301 PolarHBondContact OD2-OG1 3.43Å; I272-T301 HydrophobicContact CD1-CG2 4.36Å; S299-T301 PolarHBondContact O-N 2.86Å; S299-T301 WeakPolarHBondContact OG-CB 3.36Å; S299-T301 PolarHBondContact OG-N 3.28Å; T301-L305 WeakPolarHBondContact O-CA 3.39Å; T301-L305 PolarHBondContact O-N 2.96Å; T301-Y376 HydrophobicContact CG2-CD1 3.94Å; T301-Y376 HydrophobicContact CG2-CE1 3.47Å; T301-Y376 VanDerWaalsContact CG2-CE1 3.47Å; T301-Y376 PolarHBondContact O-OH 3.31Å
302L94.9Very high94.5Very high0 Ų020.5 Ų20.50%011%0.11CC..Hα-helixtrans-79.2-47.7-173.2-65.5176.3000112I272 I295 R296 S299 F363 L372 Y376 I377I272-L302 HydrophobicContact CD1-CD2 4.17Å; I272-L302 HydrophobicContact CD1-CG 4.42Å; I272-L302 HydrophobicContact CG1-CD1 4.21Å; I272-L302 HydrophobicContact CG1-CD2 4.35Å; I272-L302 HydrophobicContact CG1-CG 4.05Å; I295-L302 HydrophobicContact CG2-CD1 4.4Å; R296-L302 HydrophobicContact CB-CB 4.47Å; S299-L302 PolarHBondContact O-N 2.93Å; S299-L302 WeakPolarHBondContact OG-CG 3.43Å; S299-L302 PolarHBondContact OG-N 3.29Å; S299-L302 VanDerWaalsContact OG-N 3.08Å; L302-F363 HydrophobicContact CD1-CE2 3.76Å; L302-F363 HydrophobicContact CD1-CZ 3.71Å; L302-L372 HydrophobicContact CB-CD1 4.24Å; L302-L372 HydrophobicContact CD2-CB 4.35Å; L302-L372 HydrophobicContact CD2-CD1 4.45Å; L302-L372 HydrophobicContact CD2-CD2 4.28Å; L302-Y376 HydrophobicContact CD2-CD2 3.81Å; L302-Y376 HydrophobicContact CD2-CE2 4.48Å; L302-Y376 HydrophobicContact CD2-CG 3.97Å; L302-I377 HydrophobicContact CD2-CD1 4.31Å
303C93.4Very high94.5Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-89.2-26.3-173.4-154.70000114.1V171 I172 D173 R296 S299V171-C303 PolarHBondContact O-SG 3.22Å; V171-C303 VanDerWaalsContact O-SG 3.4Å; I172-C303 WeakPolarHBondContact CA-O 3.49Å; I172-C303 WeakPolarHBondContact CB-O 3.43Å; D173-C303 PolarHBondContact N-O 3.47Å; D173-C303 PolarHBondContact OD1-SG 3.04Å; D173-C303 PolarHBondContact OD2-SG 2.92Å; R296-C303 VanDerWaalsContact O-CB 3.31Å; R296-C303 WeakPolarHBondContact O-CB 3.45Å; S299-C303 PolarHBondContact O-N 3.3Å; S299-C303 VanDerWaalsContact O-N 3.08Å
304W94.6Very high94.6Very high12 Ų1219 Ų195%0.04511%0.106CC..Hα-helixtrans-1165.1179.4-7682.6000114.1D173 I174 K188 R189 A192 G300 E306 R321D173-W304 HydrophobicContact CB-CD2 3.98Å; D173-W304 HydrophobicContact CB-CG 4.43Å; D173-W304 HydrophobicContact CB-CH2 4.08Å; D173-W304 HydrophobicContact CB-CZ2 3.35Å; D173-W304 VanDerWaalsContact CB-NE1 3.27Å; D173-W304 PolarHBondContact OD2-NE1 3.39Å; I174-W304 VanDerWaalsContact CD1-C 3.44Å; I174-W304 HydrophobicContact CD1-CB 4.32Å; I174-W304 HydrophobicContact CD1-CE3 3.83Å; I174-W304 WeakPolarHBondContact CD1-O 3.29Å; I174-W304 HydrophobicContact CG1-CD2 4.16Å; I174-W304 HydrophobicContact CG1-CE3 3.38Å; I174-W304 HydrophobicContact CG1-CZ3 3.69Å; K188-W304 VanDerWaalsContact C-CH2 3.49Å; K188-W304 HydrophobicContact CB-CH2 3.94Å; K188-W304 HydrophobicContact CB-CZ3 3.5Å; K188-W304 WeakPolarHBondContact O-CH2 3.38Å; R189-W304 HydrophobicContact CB-CD2 3.47Å; R189-W304 VanDerWaalsContact CB-CD2 3.47Å; R189-W304 HydrophobicContact CB-CE3 3.64Å; R189-W304 HydrophobicContact CB-CG 3.89Å; R189-W304 HydrophobicContact CB-CH2 4.4Å; R189-W304 HydrophobicContact CB-CZ2 4.23Å; R189-W304 HydrophobicContact CB-CZ3 4.14Å; R189-W304 HydrophobicContact CG-CD2 3.74Å; R189-W304 HydrophobicContact CG-CE3 4.42Å; R189-W304 HydrophobicContact CG-CG 3.75Å; R189-W304 HydrophobicContact CG-CZ2 4.45Å; R189-W304 VanDerWaalsContact N-CZ3 3.34Å; A192-W304 HydrophobicContact CB-CH2 4.11Å; A192-W304 HydrophobicContact CB-CZ2 3.81Å; G300-W304 CarbonylContact O-C 3.57Å; G300-W304 WeakPolarHBondContact O-CA 3.46Å; G300-W304 WeakPolarHBondContact O-CB 3.36Å; G300-W304 PolarHBondContact O-N 2.92Å; G300-W304 VanDerWaalsContact O-N 3.14Å; W304-E306 PolarHBondContact O-N 3.47Å; W304-R321 VanDerWaalsContact NE1-NH1 3.17Å
305L93.3Very high94.6Very high1 Ų118.3 Ų18.31%0.00510%0.101CC..  trans47.234.5179-48.5178.3000112Y151 F161 I172 P177 R185 G300 T301 Y376Y151-L305 HydrophobicContact CD1-CD1 4.13Å; Y151-L305 HydrophobicContact CG-CD1 3.94Å; F161-L305 HydrophobicContact CE2-CD1 3.81Å; F161-L305 HydrophobicContact CZ-CD1 3.79Å; F161-L305 HydrophobicContact CZ-CD2 4.31Å; I172-L305 HydrophobicContact CD1-CD1 4.4Å; I172-L305 HydrophobicContact CG2-CD2 4.4Å; P177-L305 HydrophobicContact CB-CD1 3.42Å; P177-L305 VanDerWaalsContact CB-CD1 3.42Å; P177-L305 HydrophobicContact CG-CD1 4.08Å; R185-L305 PolarHBondContact NH1-O 2.85Å; G300-L305 PolarHBondContact O-N 3.06Å; T301-L305 WeakPolarHBondContact O-CA 3.39Å; T301-L305 PolarHBondContact O-N 2.96Å; L305-Y376 HydrophobicContact CD2-CE2 3.74Å; L305-Y376 VanDerWaalsContact CD2-OH 3.31Å; L305-Y376 WeakPolarHBondContact CD2-OH 3.43Å
306E92.3Very high94.6Very high5 Ų519.6 Ų19.62%0.02311%0.109CC..  trans-78.2147.1-172.8-176167.4163.100110.6R186 R189 G300 W304 Y308R186-E306 IonicContact CZ-OE1 3.56Å; R186-E306 IonicContact NE-OE1 3.55Å; R186-E306 PolarHBondContact NE-OE1 2.92Å; R186-E306 IonicContact NH2-OE1 2.77Å; R186-E306 PolarHBondContact NH2-OE1 3.43Å; R189-E306 IonicContact CZ-OE2 3.14Å; R189-E306 VanDerWaalsContact CZ-OE2 3.25Å; R189-E306 IonicContact NE-OE2 3.56Å; R189-E306 PolarHBondContact NE-OE2 2.97Å; R189-E306 IonicContact NH2-OE1 3.9Å; R189-E306 IonicContact NH2-OE2 3.65Å; R189-E306 PolarHBondContact NH2-OE2 2.96Å; G300-E306 PolarHBondContact O-N 3.34Å; W304-E306 PolarHBondContact O-N 3.47Å; E306-Y308 HydrophobicContact CG-CD1 4.24Å; E306-Y308 HydrophobicContact CG-CE1 4.03Å
307T91.2Very high94.7Very high52 Ų5218.6 Ų18.632%0.31911%0.105SC..  trans-113.9120.8168.165.20000109.9Q264Q264-T307 PolarHBondContact NE2-OG1 3.16Å
308Y92.1Very high94.8Very high2 Ų217.2 Ų17.21%0.00810%0.099CC..  trans-86.7154.9-179.8-54.9-73.5000112.2L267 D271 G300 E306 E313 V314 S317L267-Y308 WeakPolarHBondContact CD1-O 3.48Å; D271-Y308 HydrophobicContact CB-CE2 3.78Å; D271-Y308 WeakPolarHBondContact OD1-CE2 3.2Å; D271-Y308 VanDerWaalsContact OD1-CZ 3.31Å; D271-Y308 PolarHBondContact OD1-OH 3.39Å; G300-Y308 WeakPolarHBondContact CA-OH 3.39Å; E306-Y308 HydrophobicContact CG-CD1 4.24Å; E306-Y308 HydrophobicContact CG-CE1 4.03Å; Y308-E313 HydrophobicContact CD1-CB 4.07Å; Y308-V314 HydrophobicContact CD1-CG2 4.23Å; Y308-V314 HydrophobicContact CD2-CG2 3.58Å; Y308-V314 HydrophobicContact CE2-CG2 4.13Å; Y308-V314 HydrophobicContact CG-CG2 3.59Å; Y308-S317 WeakPolarHBondContact OH-CB 3.22Å; Y308-S317 PolarHBondContact OH-OG 3.18Å
309S90.8Very high94.8Very high78 Ų7817.1 Ų17.155%0.54510%0.099SC..SBendtrans-113.3-12.9179.3-60.40000113.2F263 E313F263-S309 WeakPolarHBondContact CE1-O 3.06Å; S309-E313 WeakPolarHBondContact CA-OE2 3.05Å; S309-E313 WeakPolarHBondContact CB-OE2 3.36Å; S309-E313 PolarHBondContact N-OE2 3.38Å
310S92.3Very high94.8Very high42 Ų4217.4 Ų17.429%0.29410%0.1SC..SBendtrans-148.8166.517380.20000112.1Q312 E313S310-Q312 PolarHBondContact OG-N 3.02Å; S310-E313 WeakPolarHBondContact OG-CG 3.38Å; S310-E313 PolarHBondContact OG-N 2.98Å
311L93.1Very high94.9Very high22 Ų2217.4 Ų17.412%0.11510%0.1CC..Hα-helixtrans-68.7-34174-173.756.9000112L267 V270 E313 V314 L315 P398 L399 V402L267-L311 HydrophobicContact CD2-CB 4.26Å; L267-L311 HydrophobicContact CD2-CD1 4.37Å; V270-L311 HydrophobicContact CG1-CD1 3.87Å; V270-L311 HydrophobicContact CG2-CD1 4.46Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.48Å; L311-V314 WeakPolarHBondContact O-CB 3.28Å; L311-V314 PolarHBondContact O-N 3.17Å; L311-L315 WeakPolarHBondContact O-CG 3.4Å; L311-L315 PolarHBondContact O-N 3.46Å; L311-L315 VanDerWaalsContact O-N 3.1Å; L311-P398 HydrophobicContact CD2-CB 3.82Å; L311-L399 HydrophobicContact CD1-CD2 3.89Å; L311-L399 HydrophobicContact CD1-CG 4.47Å; L311-L399 HydrophobicContact CD2-CD2 4.19Å; L311-L399 HydrophobicContact CD2-CG 4.19Å; L311-L399 HydrophobicContact CG-CD2 4.44Å; L311-V402 HydrophobicContact CD2-CG2 3.89Å; L311-V402 HydrophobicContact CG-CG2 4.29Å
312Q94.2Very high95Very high63 Ų6317.3 Ų17.329%0.29410%0.099SC..Hα-helixtrans-60.5-43.1175.6-1747012.700111.3S310 V314 L315 V316 D408S310-Q312 PolarHBondContact OG-N 3.02Å; Q312-V314 VanDerWaalsContact C-N 3.28Å; Q312-V314 PolarHBondContact O-N 2.94Å; Q312-L315 PolarHBondContact O-N 3.29Å; Q312-L315 VanDerWaalsContact O-N 3.17Å; Q312-V316 HydrophobicContact CG-CG2 4.26Å; Q312-V316 WeakPolarHBondContact O-CG2 3.47Å; Q312-V316 PolarHBondContact O-N 3.03Å; Q312-D408 PolarHBondContact NE2-OD2 3.05Å
313E94.8Very high95.2Very high53 Ų5317.3 Ų17.325%0.24810%0.099CC..Hα-helixtrans-60.6-37.2177.7-70-179.2165.400112.4R186 Y308 S309 S310 L311 S317R186-E313 IonicContact CZ-OE1 2.78Å; R186-E313 IonicContact CZ-OE2 3.69Å; R186-E313 IonicContact NH1-OE1 3.91Å; R186-E313 PolarHBondContact NH1-OE1 3Å; R186-E313 IonicContact NH1-OE2 3.82Å; R186-E313 IonicContact NH2-OE1 3.99Å; R186-E313 IonicContact NH2-OE2 3.79Å; R186-E313 PolarHBondContact NH2-OE2 2.96Å; Y308-E313 HydrophobicContact CD1-CB 4.07Å; S309-E313 WeakPolarHBondContact CA-OE2 3.05Å; S309-E313 WeakPolarHBondContact CB-OE2 3.36Å; S309-E313 PolarHBondContact N-OE2 3.38Å; S310-E313 WeakPolarHBondContact OG-CG 3.38Å; S310-E313 PolarHBondContact OG-N 2.98Å; L311-E313 VanDerWaalsContact C-N 3.33Å; L311-E313 PolarHBondContact O-N 3.48Å; E313-S317 WeakPolarHBondContact O-CB 3.23Å; E313-S317 PolarHBondContact O-N 3.25Å
314V97.1Very high95.4Very high0 Ų017.3 Ų17.30%010%0.099CC..Hα-helixtrans-63.9-47.8174.6178.40000110.5L267 V270 D271 L274 Y308 L311 Q312 S317 F318L267-V314 HydrophobicContact CB-CG2 3.88Å; L267-V314 HydrophobicContact CD2-CG2 4.19Å; V270-V314 HydrophobicContact CB-CG1 4.42Å; V270-V314 HydrophobicContact CG1-CG1 3.94Å; D271-V314 HydrophobicContact CB-CG1 3.75Å; L274-V314 HydrophobicContact CD1-CG1 3.83Å; Y308-V314 HydrophobicContact CD1-CG2 4.23Å; Y308-V314 HydrophobicContact CD2-CG2 3.58Å; Y308-V314 HydrophobicContact CE2-CG2 4.13Å; Y308-V314 HydrophobicContact CG-CG2 3.59Å; L311-V314 WeakPolarHBondContact O-CB 3.28Å; L311-V314 PolarHBondContact O-N 3.17Å; Q312-V314 VanDerWaalsContact C-N 3.28Å; Q312-V314 PolarHBondContact O-N 2.94Å; V314-S317 PolarHBondContact O-N 3.09Å; V314-F318 WeakPolarHBondContact O-CB 3.28Å; V314-F318 PolarHBondContact O-N 3.18Å
315L97.3Very high95.5Very high0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-66.5-40.1-178.4-61.4-164.1000112.6L274 L311 Q312 G319 V338 L399 V402 L404L274-L315 HydrophobicContact CD1-CD2 3.62Å; L274-L315 HydrophobicContact CD2-CD2 4.47Å; L311-L315 WeakPolarHBondContact O-CG 3.4Å; L311-L315 PolarHBondContact O-N 3.46Å; L311-L315 VanDerWaalsContact O-N 3.1Å; Q312-L315 PolarHBondContact O-N 3.29Å; Q312-L315 VanDerWaalsContact O-N 3.17Å; L315-G319 WeakPolarHBondContact O-CA 3.37Å; L315-G319 PolarHBondContact O-N 2.81Å; L315-V338 HydrophobicContact CD1-CG1 4.35Å; L315-V338 HydrophobicContact CD2-CG1 4.43Å; L315-V338 HydrophobicContact CD2-CG2 3.89Å; L315-L399 HydrophobicContact CD2-CD2 4.27Å; L315-V402 HydrophobicContact CD1-CB 4.12Å; L315-V402 HydrophobicContact CD1-CG1 3.6Å; L315-L404 HydrophobicContact CB-CB 4.45Å; L315-L404 HydrophobicContact CB-CD1 4.17Å; L315-L404 HydrophobicContact CB-CD2 4.3Å; L315-L404 HydrophobicContact CD1-CB 4.49Å; L315-L404 WeakPolarHBondContact O-CD2 3.11Å
316V96.9Very high95.6Very high28 Ų2818.1 Ų18.117%0.1710%0.103CC..Hα-helixtrans-65.3-43.7175.1170.10000110.9Q312 R320 L404 D408 L409Q312-V316 HydrophobicContact CG-CG2 4.26Å; Q312-V316 WeakPolarHBondContact O-CG2 3.47Å; Q312-V316 PolarHBondContact O-N 3.03Å; V316-R320 WeakPolarHBondContact O-CB 3.29Å; V316-R320 WeakPolarHBondContact O-CG 3.39Å; V316-R320 PolarHBondContact O-N 2.93Å; V316-L404 HydrophobicContact CB-CD1 4.41Å; V316-L404 HydrophobicContact CG2-CD1 3.6Å; V316-D408 VanDerWaalsContact CG1-O 3.31Å; V316-D408 WeakPolarHBondContact CG1-O 3.49Å; V316-D408 HydrophobicContact CG2-CB 4.01Å; V316-D408 WeakPolarHBondContact CG2-O 3.48Å; V316-L409 HydrophobicContact CB-CD2 4.49Å; V316-L409 HydrophobicContact CG1-CD2 4.32Å
317S97.3Very high95.8Very high0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-58.7-56.7175.4-175.10000111.2R189 Y308 E313 V314 G319 R320 R321R189-S317 PolarHBondContact NH1-OG 3.42Å; R189-S317 PolarHBondContact NH2-OG 3.31Å; Y308-S317 WeakPolarHBondContact OH-CB 3.22Å; Y308-S317 PolarHBondContact OH-OG 3.18Å; E313-S317 WeakPolarHBondContact O-CB 3.23Å; E313-S317 PolarHBondContact O-N 3.25Å; V314-S317 PolarHBondContact O-N 3.09Å; S317-G319 PolarHBondContact O-N 2.78Å; S317-R320 PolarHBondContact O-N 3.15Å; S317-R321 WeakPolarHBondContact O-CG 3.4Å; S317-R321 PolarHBondContact O-N 3.11Å; S317-R321 VanDerWaalsContact O-N 3.11Å
318F98.4Very high96.1Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-57.6-46.9177.5168.6-109.6000112.4L274 L298 V314 R321 V322 V334 A337 V338L274-F318 HydrophobicContact CB-CD1 4.05Å; L274-F318 HydrophobicContact CB-CD2 3.81Å; L274-F318 HydrophobicContact CB-CE1 4.14Å; L274-F318 HydrophobicContact CB-CE2 3.91Å; L274-F318 HydrophobicContact CB-CG 3.88Å; L274-F318 HydrophobicContact CB-CZ 4.07Å; L274-F318 HydrophobicContact CD1-CB 4.24Å; L274-F318 HydrophobicContact CD1-CD1 4.12Å; L274-F318 HydrophobicContact CD1-CG 4.17Å; L274-F318 HydrophobicContact CD2-CD1 4.24Å; L274-F318 HydrophobicContact CD2-CE1 4.14Å; L274-F318 HydrophobicContact CG-CD1 4.38Å; L274-F318 WeakPolarHBondContact O-CE2 3.16Å; L298-F318 HydrophobicContact CB-CD2 4.42Å; L298-F318 HydrophobicContact CB-CE2 4.4Å; L298-F318 HydrophobicContact CD1-CE2 4.46Å; V314-F318 WeakPolarHBondContact O-CB 3.28Å; V314-F318 PolarHBondContact O-N 3.18Å; F318-R321 PolarHBondContact O-N 3.28Å; F318-V322 HydrophobicContact CD2-CG2 4.1Å; F318-V322 HydrophobicContact CE1-CG2 4.31Å; F318-V322 HydrophobicContact CE2-CG2 3.61Å; F318-V322 HydrophobicContact CZ-CG2 3.73Å; F318-V322 WeakPolarHBondContact O-CG2 3.46Å; F318-V322 PolarHBondContact O-N 3.26Å; F318-V334 HydrophobicContact CD1-CG1 3.95Å; F318-V334 HydrophobicContact CE1-CB 4.48Å; F318-V334 HydrophobicContact CE1-CG1 3.81Å; F318-A337 HydrophobicContact CE1-CB 4Å; F318-A337 HydrophobicContact CZ-CB 3.69Å; F318-V338 HydrophobicContact CE1-CG2 4.4Å
319G97.8Very high96.3Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-61.2-47.8-179.600000113.2L315 S317 R321 V322 L323L315-G319 WeakPolarHBondContact O-CA 3.37Å; L315-G319 PolarHBondContact O-N 2.81Å; S317-G319 PolarHBondContact O-N 2.78Å; G319-R321 VanDerWaalsContact C-N 3.3Å; G319-R321 PolarHBondContact O-N 2.7Å; G319-V322 PolarHBondContact O-N 3.39Å; G319-L323 WeakPolarHBondContact O-CG 3.44Å; G319-L323 PolarHBondContact O-N 3.39Å
320R97.9Very high96.6Very high5 Ų521.3 Ų21.32%0.01911%0.106CC..Hα-helixtrans-55.9-47173.4-78177.360.492-1.5110.8L190 E193 T194 V316 S317 V322 L323 C324 L409 D410 L411L190-R320 PolarHBondContact O-NH2 2.85Å; E193-R320 VanDerWaalsContact CB-NH2 3.33Å; E193-R320 IonicContact OE2-CZ 3.18Å; E193-R320 IonicContact OE2-NE 3.68Å; E193-R320 PolarHBondContact OE2-NE 3.13Å; E193-R320 IonicContact OE2-NH2 2.77Å; T194-R320 PolarHBondContact OG1-NH2 3.48Å; V316-R320 WeakPolarHBondContact O-CB 3.29Å; V316-R320 WeakPolarHBondContact O-CG 3.39Å; V316-R320 PolarHBondContact O-N 2.93Å; S317-R320 PolarHBondContact O-N 3.15Å; R320-V322 PolarHBondContact O-N 3.43Å; R320-L323 CarbonylContact O-C 3.53Å; R320-L323 PolarHBondContact O-N 2.97Å; R320-C324 WeakPolarHBondContact O-CB 3.39Å; R320-C324 PolarHBondContact O-N 3.22Å; R320-C324 VanDerWaalsContact O-N 3.09Å; R320-C324 PolarHBondContact O-SG 3.36Å; R320-L409 VanDerWaalsContact CD-O 3.24Å; R320-L409 WeakPolarHBondContact CD-O 3.42Å; R320-L409 HydrophobicContact CG-CB 3.99Å; R320-L409 HydrophobicContact CG-CD2 4.1Å; R320-L409 VanDerWaalsContact CG-O 3.3Å; R320-L409 WeakPolarHBondContact CG-O 3.41Å; R320-L409 PolarHBondContact NH1-O 2.94Å; R320-D410 PolarHBondContact NH1-O 3.18Å; R320-D410 VanDerWaalsContact NH1-O 3.15Å; R320-L411 HydrophobicContact CG-CD1 4.19Å; R320-L411 HydrophobicContact CG-CG 4.49Å
321R97.6Very high96.8Very high0 Ų020.3 Ų20.30%010%0.096CC..Hα-helixtrans-64.7-38.9-176.3-64.8176.681.172.94.3112.8D173 E193 K297 L298 W304 S317 F318 G319 L323 C324 Y325 P326D173-R321 IonicContact OD2-NH2 3.65Å; D173-R321 PolarHBondContact OD2-NH2 3.06Å; E193-R321 HydrophobicContact CG-CG 4.38Å; E193-R321 WeakPolarHBondContact OE1-CD 3.41Å; E193-R321 WeakPolarHBondContact OE1-CG 3.41Å; E193-R321 IonicContact OE1-CZ 2.77Å; E193-R321 IonicContact OE1-NE 2.74Å; E193-R321 IonicContact OE1-NH1 2.99Å; E193-R321 PolarHBondContact OE1-NH1 3.02Å; K297-R321 PolarHBondContact O-NE 3.36Å; K297-R321 PolarHBondContact O-NH2 3.06Å; L298-R321 HydrophobicContact CD2-CB 4.1Å; W304-R321 VanDerWaalsContact NE1-NH1 3.17Å; S317-R321 WeakPolarHBondContact O-CG 3.4Å; S317-R321 PolarHBondContact O-N 3.11Å; S317-R321 VanDerWaalsContact O-N 3.11Å; F318-R321 PolarHBondContact O-N 3.28Å; G319-R321 VanDerWaalsContact C-N 3.3Å; G319-R321 PolarHBondContact O-N 2.7Å; R321-L323 VanDerWaalsContact C-N 3.26Å; R321-L323 PolarHBondContact O-N 3.4Å; R321-C324 PolarHBondContact O-N 3.11Å; R321-Y325 HydrophobicContact CB-CD2 3.96Å; R321-Y325 HydrophobicContact CB-CE2 4.21Å; R321-Y325 HydrophobicContact CG-CD2 4.28Å; R321-Y325 HydrophobicContact CG-CE2 4.01Å; R321-Y325 WeakPolarHBondContact O-CD2 3.36Å; R321-Y325 PolarHBondContact O-N 3.39Å; R321-P326 WeakPolarHBondContact O-CD 3.48Å
322V98.2Very high97Very high0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-61.8-33.1172.9169.50000112.1Y278 L298 F318 G319 R320 P326 V334Y278-V322 HydrophobicContact CD2-CG1 3.93Å; Y278-V322 HydrophobicContact CD2-CG2 3.82Å; Y278-V322 HydrophobicContact CE2-CB 4.39Å; Y278-V322 HydrophobicContact CE2-CG1 3.44Å; Y278-V322 VanDerWaalsContact CE2-CG1 3.44Å; Y278-V322 HydrophobicContact CE2-CG2 4.06Å; Y278-V322 HydrophobicContact CG-CG2 4.34Å; L298-V322 HydrophobicContact CD1-CG2 3.98Å; L298-V322 HydrophobicContact CD2-CB 4.39Å; L298-V322 HydrophobicContact CD2-CG2 3.8Å; L298-V322 HydrophobicContact CG-CG2 4.44Å; F318-V322 HydrophobicContact CD2-CG2 4.1Å; F318-V322 HydrophobicContact CE1-CG2 4.31Å; F318-V322 HydrophobicContact CE2-CG2 3.61Å; F318-V322 HydrophobicContact CZ-CG2 3.73Å; F318-V322 WeakPolarHBondContact O-CG2 3.46Å; F318-V322 PolarHBondContact O-N 3.26Å; G319-V322 PolarHBondContact O-N 3.39Å; R320-V322 PolarHBondContact O-N 3.43Å; V322-P326 WeakPolarHBondContact O-CD 3.27Å; V322-P326 WeakPolarHBondContact O-CG 3.32Å; V322-V334 HydrophobicContact CB-CG2 3.7Å; V322-V334 HydrophobicContact CG1-CG2 3.51Å; V322-V334 HydrophobicContact CG2-CG2 4.24Å
323L98Very high97.1Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-85.9-7.6177.7-56-174000114F197 Y202 G319 R320 R321 R329 F331 L409 L411 L413F197-L323 HydrophobicContact CE2-CB 4.37Å; Y202-L323 HydrophobicContact CD2-CD1 4.42Å; Y202-L323 HydrophobicContact CD2-CD2 4.09Å; Y202-L323 HydrophobicContact CE2-CD1 4Å; Y202-L323 HydrophobicContact CE2-CD2 3.82Å; Y202-L323 HydrophobicContact CE2-CG 4.43Å; G319-L323 WeakPolarHBondContact O-CG 3.44Å; G319-L323 PolarHBondContact O-N 3.39Å; R320-L323 CarbonylContact O-C 3.53Å; R320-L323 PolarHBondContact O-N 2.97Å; R321-L323 VanDerWaalsContact C-N 3.26Å; R321-L323 PolarHBondContact O-N 3.4Å; L323-R329 VanDerWaalsContact CD2-C 3.49Å; L323-R329 VanDerWaalsContact CD2-O 3.23Å; L323-R329 WeakPolarHBondContact CD2-O 3.36Å; L323-F331 HydrophobicContact CD1-CD2 4.48Å; L323-L409 HydrophobicContact CD1-CD1 3.62Å; L323-L411 HydrophobicContact CB-CD1 4.32Å; L323-L411 HydrophobicContact CD1-CD1 4.48Å; L323-L413 HydrophobicContact CD1-CD1 3.38Å; L323-L413 HydrophobicContact CD1-CD2 4.22Å; L323-L413 HydrophobicContact CD1-CG 4.44Å
324C97.6Very high97.3Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-106.3-40-176.8-71.50000114E193 I196 R320 R321 R329E193-C324 PolarHBondContact O-SG 3.38Å; E193-C324 VanDerWaalsContact O-SG 3.34Å; I196-C324 HydrophobicContact CG2-CB 3.85Å; R320-C324 WeakPolarHBondContact O-CB 3.39Å; R320-C324 PolarHBondContact O-N 3.22Å; R320-C324 VanDerWaalsContact O-N 3.09Å; R320-C324 PolarHBondContact O-SG 3.36Å; R321-C324 PolarHBondContact O-N 3.11Å; C324-R329 PolarHBondContact O-NH2 3.33Å
325Y96.9Very high97.2Very high23 Ų2318.2 Ų18.29%0.0910%0.096CC..SBendtrans-107.6-55-163.9-63-73.5000116.6E193 I196 R321 R329E193-Y325 HydrophobicContact CG-CE2 3.99Å; I196-Y325 HydrophobicContact CD1-CD1 4.04Å; I196-Y325 HydrophobicContact CD1-CE1 3.76Å; I196-Y325 HydrophobicContact CG2-CD1 4.42Å; I196-Y325 HydrophobicContact CG2-CE1 3.82Å; R321-Y325 HydrophobicContact CB-CD2 3.96Å; R321-Y325 HydrophobicContact CB-CE2 4.21Å; R321-Y325 HydrophobicContact CG-CD2 4.28Å; R321-Y325 HydrophobicContact CG-CE2 4.01Å; R321-Y325 WeakPolarHBondContact O-CD2 3.36Å; R321-Y325 PolarHBondContact O-N 3.39Å; Y325-R329 PolarHBondContact O-NH2 3.2Å
326P96.8Very high97.2Very high7 Ų718.8 Ų18.85%0.04510%0.101CC..SBendtrans-73.2178.5-166.734.3-38.1000112.3Y278 L298 R321 V322 R329Y278-P326 HydrophobicContact CE1-CB 4.02Å; Y278-P326 HydrophobicContact CE1-CG 4.22Å; Y278-P326 WeakPolarHBondContact OH-CB 3.27Å; Y278-P326 VanDerWaalsContact OH-CG 3.29Å; Y278-P326 WeakPolarHBondContact OH-CG 3.15Å; L298-P326 HydrophobicContact CD2-CG 4.17Å; R321-P326 WeakPolarHBondContact O-CD 3.48Å; V322-P326 WeakPolarHBondContact O-CD 3.27Å; V322-P326 WeakPolarHBondContact O-CG 3.32Å; P326-R329 WeakPolarHBondContact O-CG 3.49Å; P326-R329 PolarHBondContact O-NE 3.21Å
327L95.9Very high97.2Very high116 Ų11617.4 Ų17.461%0.6079%0.093SC*.SBendtrans-60.7-48.7176.8-177.660.5000112.5H201H201-L327 PolarHBondContact NE2-O 2.83Å; H201-L327 VanDerWaalsContact NE2-O 3.11Å
328Y96.9Very high97.2Very high44 Ų4418.2 Ų18.217%0.17310%0.098CC..  trans-105.998.4-174.6-55.8-68.3000112.8E211 I212 L215 Y278 T282 H330E211-Y328 HydrophobicContact CB-CE1 4.32Å; E211-Y328 WeakPolarHBondContact OE2-CE1 3.44Å; E211-Y328 PolarHBondContact OE2-OH 3.07Å; E211-Y328 VanDerWaalsContact OE2-OH 3.1Å; I212-Y328 HydrophobicContact CD1-CD1 4.09Å; I212-Y328 HydrophobicContact CG1-CD1 3.75Å; I212-Y328 HydrophobicContact CG1-CE1 4.48Å; I212-Y328 HydrophobicContact CG1-CG 4.23Å; L215-Y328 HydrophobicContact CD1-CD2 3.58Å; L215-Y328 HydrophobicContact CD1-CE1 4.49Å; L215-Y328 HydrophobicContact CD1-CE2 3.55Å; L215-Y328 HydrophobicContact CD1-CG 4.09Å; Y278-Y328 PolarHBondContact OH-O 3.35Å; T282-Y328 HydrophobicContact CG2-CD2 3.98Å; Y328-H330 PolarHBondContact O-N 3.21Å
329R96.9Very high97.1Very high37 Ų3723.2 Ų23.214%0.1412%0.121CC..  trans-96.758.1-168.8-60175.6-177178.40.5111.9H201 Y202 D205 L323 C324 Y325 P326H201-R329 VanDerWaalsContact CE1-CZ 3.49Å; H201-R329 PolarHBondContact ND1-NH1 3.19Å; Y202-R329 WeakPolarHBondContact CD2-O 3.39Å; Y202-R329 WeakPolarHBondContact CE2-O 3.4Å; D205-R329 WeakPolarHBondContact OD2-CA 3.44Å; D205-R329 VanDerWaalsContact OD2-CB 3.28Å; D205-R329 WeakPolarHBondContact OD2-CB 3.47Å; D205-R329 PolarHBondContact OD2-N 3.2Å; L323-R329 VanDerWaalsContact CD2-C 3.49Å; L323-R329 VanDerWaalsContact CD2-O 3.23Å; L323-R329 WeakPolarHBondContact CD2-O 3.36Å; C324-R329 PolarHBondContact O-NH2 3.33Å; Y325-R329 PolarHBondContact O-NH2 3.2Å; P326-R329 WeakPolarHBondContact O-CG 3.49Å; P326-R329 PolarHBondContact O-NE 3.21Å
330H96.7Very high97Very high8 Ų823.2 Ų23.24%0.03712%0.121CC..  trans-116.6132.2-172.9-170.5-130.9000114.2I212 Y328 S332 L333I212-H330 HydrophobicContact CD1-CB 3.8Å; I212-H330 HydrophobicContact CG2-CB 4.01Å; Y328-H330 PolarHBondContact O-N 3.21Å; H330-S332 VanDerWaalsContact C-N 3.26Å; H330-S332 PolarHBondContact CE1-OG 2.66Å; H330-S332 PolarHBondContact O-N 2.66Å; H330-L333 HydrophobicContact CB-CD1 4.34Å; H330-L333 HydrophobicContact CB-CG 4.48Å; H330-L333 WeakPolarHBondContact O-CB 3.43Å; H330-L333 PolarHBondContact O-N 3.25Å
331F97Very high96.9Very high20 Ų2023 Ų239%0.08812%0.12CC..Hα-helixtrans-64-27.7-174-172.8-92.6000113.5L323 L333 V334 S335 L404 K406 L409L323-F331 HydrophobicContact CD1-CD2 4.48Å; F331-L333 VanDerWaalsContact C-N 3.31Å; F331-L333 PolarHBondContact O-N 2.55Å; F331-V334 WeakPolarHBondContact O-CB 3.31Å; F331-V334 PolarHBondContact O-N 2.8Å; F331-S335 PolarHBondContact O-N 3.43Å; F331-S335 VanDerWaalsContact O-N 3.15Å; F331-S335 PolarHBondContact O-OG 3.07Å; F331-L404 HydrophobicContact CE2-CD2 4.41Å; F331-L404 HydrophobicContact CE2-CG 4.45Å; F331-L404 HydrophobicContact CZ-CG 4.44Å; F331-K406 HydrophobicContact CD1-CD 4.5Å; F331-K406 HydrophobicContact CD1-CG 4.03Å; F331-K406 HydrophobicContact CD2-CG 3.89Å; F331-K406 HydrophobicContact CE1-CG 3.98Å; F331-K406 HydrophobicContact CE2-CG 3.83Å; F331-K406 HydrophobicContact CG-CD 4.41Å; F331-K406 HydrophobicContact CG-CG 3.99Å; F331-K406 HydrophobicContact CZ-CG 3.88Å; F331-L409 HydrophobicContact CD2-CD1 3.95Å; F331-L409 HydrophobicContact CE2-CD1 3.83Å
332S96.9Very high96.8Very high49 Ų4923 Ų2334%0.34312%0.12SC..Hα-helixtrans-67.7-30.4175-61.80000112.5H330 S335 A336H330-S332 VanDerWaalsContact C-N 3.26Å; H330-S332 PolarHBondContact CE1-OG 2.66Å; H330-S332 PolarHBondContact O-N 2.66Å; S332-S335 PolarHBondContact O-N 3.23Å; S332-A336 WeakPolarHBondContact O-CB 3.24Å; S332-A336 PolarHBondContact O-N 2.96Å
333L97.1Very high96.6Very high1 Ų126.8 Ų26.81%0.00514%0.135CC..Hα-helixtrans-67.1-39.5173.3-67.5172.3000111.3I212 L215 L216 Y278 T282 H330 F331 S335 A336 A337I212-L333 HydrophobicContact CG2-CD1 3.95Å; I212-L333 HydrophobicContact CG2-CD2 4.18Å; I212-L333 HydrophobicContact CG2-CG 3.9Å; L215-L333 HydrophobicContact CB-CD2 4.29Å; L216-L333 HydrophobicContact CD2-CD2 3.89Å; L216-L333 HydrophobicContact CG-CD2 4.08Å; Y278-L333 HydrophobicContact CD2-CB 4.19Å; Y278-L333 HydrophobicContact CE2-CB 3.9Å; Y278-L333 HydrophobicContact CE2-CD1 4.02Å; T282-L333 HydrophobicContact CG2-CD1 4.44Å; H330-L333 HydrophobicContact CB-CD1 4.34Å; H330-L333 HydrophobicContact CB-CG 4.48Å; H330-L333 WeakPolarHBondContact O-CB 3.43Å; H330-L333 PolarHBondContact O-N 3.25Å; F331-L333 VanDerWaalsContact C-N 3.31Å; F331-L333 PolarHBondContact O-N 2.55Å; L333-S335 VanDerWaalsContact C-N 3.33Å; L333-S335 PolarHBondContact O-N 3.03Å; L333-A336 PolarHBondContact O-N 3.32Å; L333-A337 WeakPolarHBondContact O-CB 3.24Å; L333-A337 PolarHBondContact O-N 3.37Å
334V97.5Very high96.4Very high0 Ų026.8 Ų26.80%014%0.135CC..Hα-helixtrans-56-50.6172-1750000110F318 V322 F331 A336 A337 V338 L404F318-V334 HydrophobicContact CD1-CG1 3.95Å; F318-V334 HydrophobicContact CE1-CB 4.48Å; F318-V334 HydrophobicContact CE1-CG1 3.81Å; V322-V334 HydrophobicContact CB-CG2 3.7Å; V322-V334 HydrophobicContact CG1-CG2 3.51Å; V322-V334 HydrophobicContact CG2-CG2 4.24Å; F331-V334 WeakPolarHBondContact O-CB 3.31Å; F331-V334 PolarHBondContact O-N 2.8Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.45Å; V334-A337 PolarHBondContact O-N 2.88Å; V334-V338 WeakPolarHBondContact O-CG2 3.13Å; V334-V338 PolarHBondContact O-N 3.36Å; V334-L404 HydrophobicContact CG1-CD2 3.72Å
335S96.3Very high96.3Very high44 Ų4426.8 Ų26.831%0.30814%0.135SC..Hα-helixtrans-62.3-40.1179.8-620000112.3F331 S332 L333 V338 Q339F331-S335 PolarHBondContact O-N 3.43Å; F331-S335 VanDerWaalsContact O-N 3.15Å; F331-S335 PolarHBondContact O-OG 3.07Å; S332-S335 PolarHBondContact O-N 3.23Å; L333-S335 VanDerWaalsContact C-N 3.33Å; L333-S335 PolarHBondContact O-N 3.03Å; S335-V338 PolarHBondContact O-N 2.97Å; S335-Q339 WeakPolarHBondContact O-CG 3.15Å; S335-Q339 PolarHBondContact O-N 3.11Å; S335-Q339 VanDerWaalsContact O-N 3.11Å
336A96.6Very high96Very high12 Ų1228.8 Ų28.810%0.09915%0.145CC..Hα-helixtrans-69.3-36.5178.700000113L216 R281 S332 L333 V334 D340L216-A336 HydrophobicContact CD2-CB 3.76Å; R281-A336 PolarHBondContact NE-O 3.46Å; R281-A336 PolarHBondContact NH2-O 3.48Å; S332-A336 WeakPolarHBondContact O-CB 3.24Å; S332-A336 PolarHBondContact O-N 2.96Å; L333-A336 PolarHBondContact O-N 3.32Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.45Å; A336-D340 PolarHBondContact O-N 2.83Å; A336-D340 VanDerWaalsContact O-N 3.1Å
337A97.2Very high95.7Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-69.2-38.7174.200000112.1C277 F318 L333 V334 D340 A341C277-A337 HydrophobicContact CB-CB 4.26Å; F318-A337 HydrophobicContact CE1-CB 4Å; F318-A337 HydrophobicContact CZ-CB 3.69Å; L333-A337 WeakPolarHBondContact O-CB 3.24Å; L333-A337 PolarHBondContact O-N 3.37Å; V334-A337 PolarHBondContact O-N 2.88Å; A337-D340 PolarHBondContact O-N 3.24Å; A337-A341 PolarHBondContact O-N 3.04Å
338V96.9Very high95.4Very high16 Ų1624.4 Ų24.410%0.09713%0.125CC..Hα-helixtrans-62.3-42.4173.2173.60000111.6L274 L315 F318 V334 S335 D340 A341 A342L274-V338 HydrophobicContact CD2-CB 4.21Å; L274-V338 HydrophobicContact CD2-CG2 3.68Å; L315-V338 HydrophobicContact CD1-CG1 4.35Å; L315-V338 HydrophobicContact CD2-CG1 4.43Å; L315-V338 HydrophobicContact CD2-CG2 3.89Å; F318-V338 HydrophobicContact CE1-CG2 4.4Å; V334-V338 WeakPolarHBondContact O-CG2 3.13Å; V334-V338 PolarHBondContact O-N 3.36Å; S335-V338 PolarHBondContact O-N 2.97Å; V338-D340 VanDerWaalsContact C-N 3.32Å; V338-D340 PolarHBondContact O-N 3.37Å; V338-A341 PolarHBondContact O-N 3.1Å; V338-A342 PolarHBondContact O-N 2.86Å; V338-A342 VanDerWaalsContact O-N 3.1Å
339Q95.4Very high95.1Very high106 Ų10624.8 Ų24.850%0.49513%0.127SC..Hα-helixtrans-62.8-37.6174.8-72-178.526.900112.6S335 A342 R343S335-Q339 WeakPolarHBondContact O-CG 3.15Å; S335-Q339 PolarHBondContact O-N 3.11Å; S335-Q339 VanDerWaalsContact O-N 3.11Å; Q339-A342 PolarHBondContact O-N 3.25Å; Q339-R343 WeakPolarHBondContact O-CG 3.39Å; Q339-R343 PolarHBondContact O-N 2.86Å
340D96Very high94.9Very high0 Ų023.5 Ų23.50%013%0.125CC..Hα-helixtrans-69.4-46.1175.9-84.1-14.3000113.2P220 W222 C277 R281 A336 A337 V338 A342 R343 V344P220-D340 WeakPolarHBondContact CG-OD2 3.46Å; W222-D340 HydrophobicContact CZ2-CB 3.78Å; W222-D340 PolarHBondContact NE1-OD1 3.02Å; W222-D340 VanDerWaalsContact NE1-OD1 3.1Å; C277-D340 HydrophobicContact CB-CB 3.9Å; R281-D340 IonicContact CZ-OD1 3.56Å; R281-D340 IonicContact CZ-OD2 3.53Å; R281-D340 IonicContact NE-OD2 2.88Å; R281-D340 PolarHBondContact NE-OD2 3.12Å; R281-D340 IonicContact NH1-OD2 2.8Å; R281-D340 IonicContact NH2-OD1 2.81Å; R281-D340 PolarHBondContact NH2-OD1 3.43Å; R281-D340 IonicContact NH2-OD2 3.02Å; R281-D340 PolarHBondContact NH2-OD2 3.42Å; A336-D340 PolarHBondContact O-N 2.83Å; A336-D340 VanDerWaalsContact O-N 3.1Å; A337-D340 PolarHBondContact O-N 3.24Å; V338-D340 VanDerWaalsContact C-N 3.32Å; V338-D340 PolarHBondContact O-N 3.37Å; D340-A342 PolarHBondContact O-N 3.47Å; D340-R343 CarbonylContact O-C 3.58Å; D340-R343 WeakPolarHBondContact O-CA 3.44Å; D340-R343 WeakPolarHBondContact O-CB 3.4Å; D340-R343 PolarHBondContact O-N 2.86Å; D340-R343 IonicContact OD1-CZ 2.75Å; D340-R343 IonicContact OD1-NH1 2.68Å; D340-R343 PolarHBondContact OD1-NH1 3.23Å; D340-V344 WeakPolarHBondContact O-CG2 3.45Å; D340-V344 PolarHBondContact O-N 3.08Å
341A96.8Very high94.7Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-53.4-42.7173.900000110I273 L274 A337 V338 R343 V344 F345I273-A341 HydrophobicContact CG2-CB 4.01Å; L274-A341 HydrophobicContact CD2-CB 3.7Å; L274-A341 HydrophobicContact CG-CB 4.23Å; A337-A341 PolarHBondContact O-N 3.04Å; V338-A341 PolarHBondContact O-N 3.1Å; A341-R343 PolarHBondContact O-N 3.48Å; A341-V344 PolarHBondContact O-N 3.01Å; A341-F345 HydrophobicContact CB-CE2 4.45Å; A341-F345 WeakPolarHBondContact O-CD2 3.16Å; A341-F345 PolarHBondContact O-N 3.41Å
342A95.1Very high94.6Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-63.2-34.4173.700000114.2V338 Q339 D340 Q346 A396 L399 R400V338-A342 PolarHBondContact O-N 2.86Å; V338-A342 VanDerWaalsContact O-N 3.1Å; Q339-A342 PolarHBondContact O-N 3.25Å; D340-A342 PolarHBondContact O-N 3.47Å; A342-Q346 WeakPolarHBondContact O-CB 3.42Å; A342-Q346 PolarHBondContact O-N 2.81Å; A342-Q346 VanDerWaalsContact O-N 3.09Å; A342-A396 WeakPolarHBondContact O-CB 3.39Å; A342-L399 HydrophobicContact CB-CB 3.87Å; A342-R400 HydrophobicContact CB-CG 3.8Å
343R93.8Very high94.6Very high80 Ų8020.4 Ų20.430%0.30211%0.105SC..Hα-helixtrans-67.9-49.8171.7-68.7171.9-171115.48111Q339 D340 A341 F345 Q346 S347Q339-R343 WeakPolarHBondContact O-CG 3.39Å; Q339-R343 PolarHBondContact O-N 2.86Å; D340-R343 CarbonylContact O-C 3.58Å; D340-R343 WeakPolarHBondContact O-CA 3.44Å; D340-R343 WeakPolarHBondContact O-CB 3.4Å; D340-R343 PolarHBondContact O-N 2.86Å; D340-R343 IonicContact OD1-CZ 2.75Å; D340-R343 IonicContact OD1-NH1 2.68Å; D340-R343 PolarHBondContact OD1-NH1 3.23Å; A341-R343 PolarHBondContact O-N 3.48Å; R343-F345 VanDerWaalsContact C-N 3.33Å; R343-F345 PolarHBondContact O-N 3.35Å; R343-Q346 CarbonylContact O-C 3.6Å; R343-Q346 WeakPolarHBondContact O-CA 3.45Å; R343-Q346 WeakPolarHBondContact O-CB 3.11Å; R343-Q346 PolarHBondContact O-N 2.72Å; R343-S347 PolarHBondContact O-N 3.21Å; R343-S347 PolarHBondContact O-OG 2.87Å
344V94.5Very high94.5Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-54.6-46.4177.7170.90000111.4W222 I273 D340 A341 S347 G348 V352W222-V344 HydrophobicContact CB-CG2 4.35Å; W222-V344 HydrophobicContact CD2-CG2 3.45Å; W222-V344 VanDerWaalsContact CD2-CG2 3.45Å; W222-V344 HydrophobicContact CE3-CG2 3.77Å; W222-V344 HydrophobicContact CG-CG2 3.73Å; W222-V344 HydrophobicContact CZ2-CG2 4.26Å; W222-V344 HydrophobicContact CZ3-CG2 4.29Å; I273-V344 HydrophobicContact CG2-CG1 4.23Å; D340-V344 WeakPolarHBondContact O-CG2 3.45Å; D340-V344 PolarHBondContact O-N 3.08Å; A341-V344 PolarHBondContact O-N 3.01Å; V344-S347 PolarHBondContact O-N 3.19Å; V344-G348 PolarHBondContact O-N 3.47Å; V344-V352 HydrophobicContact CG1-CG2 3.98Å
345F94Very high94.4Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-67.5-35.4174.7-72.4-61.8000112.9L269 V270 I273 A341 R343 G348 V352 V392 T393 L395 A396 L399L269-F345 HydrophobicContact CD2-CE1 4.1Å; L269-F345 HydrophobicContact CG-CE1 4.18Å; L269-F345 HydrophobicContact CG-CZ 4.16Å; V270-F345 HydrophobicContact CG2-CE2 3.84Å; V270-F345 HydrophobicContact CG2-CZ 3.94Å; I273-F345 HydrophobicContact CB-CE2 4.31Å; I273-F345 HydrophobicContact CB-CZ 4.16Å; I273-F345 HydrophobicContact CG1-CZ 4.04Å; I273-F345 HydrophobicContact CG2-CE2 4.09Å; I273-F345 HydrophobicContact CG2-CZ 4.28Å; A341-F345 HydrophobicContact CB-CE2 4.45Å; A341-F345 WeakPolarHBondContact O-CD2 3.16Å; A341-F345 PolarHBondContact O-N 3.41Å; R343-F345 VanDerWaalsContact C-N 3.33Å; R343-F345 PolarHBondContact O-N 3.35Å; F345-G348 PolarHBondContact O-N 3.36Å; F345-V352 HydrophobicContact CD1-CG2 3.68Å; F345-V352 HydrophobicContact CE1-CG1 4.34Å; F345-V352 HydrophobicContact CE1-CG2 3.9Å; F345-V392 HydrophobicContact CD1-CG1 3.87Å; F345-T393 WeakPolarHBondContact O-CA 3.28Å; F345-L395 HydrophobicContact CB-CB 4.49Å; F345-L395 HydrophobicContact CD1-CD2 3.98Å; F345-L395 HydrophobicContact CD2-CD2 4.27Å; F345-L395 HydrophobicContact CE1-CD2 3.88Å; F345-L395 HydrophobicContact CE2-CD2 4.19Å; F345-L395 HydrophobicContact CG-CB 4.43Å; F345-L395 HydrophobicContact CG-CD2 4.2Å; F345-L395 HydrophobicContact CZ-CD2 4Å; F345-A396 HydrophobicContact CB-CB 4.37Å; F345-L399 HydrophobicContact CD2-CD1 3.4Å; F345-L399 HydrophobicContact CE2-CD1 3.81Å; F345-L399 HydrophobicContact CG-CD1 4.44Å
346Q92.1Very high94.5Very high65 Ų6520 Ų2030%0.30410%0.098SC..Hα-helixtrans-65.3-38.6175.6-169.9-179.220.600112.1A342 R343 G348 T393 A396 R400A342-Q346 WeakPolarHBondContact O-CB 3.42Å; A342-Q346 PolarHBondContact O-N 2.81Å; A342-Q346 VanDerWaalsContact O-N 3.09Å; R343-Q346 CarbonylContact O-C 3.6Å; R343-Q346 WeakPolarHBondContact O-CA 3.45Å; R343-Q346 WeakPolarHBondContact O-CB 3.11Å; R343-Q346 PolarHBondContact O-N 2.72Å; Q346-G348 PolarHBondContact O-N 3.32Å; Q346-T393 WeakPolarHBondContact O-CG2 3.42Å; Q346-A396 HydrophobicContact CB-CB 3.86Å; Q346-R400 VanDerWaalsContact OE1-NH1 3.07Å
347S89.5Confident94.5Very high27 Ų2719.5 Ų19.519%0.1899%0.094CC..THydrogen-bonded Turntrans-68.8-8.3175.6-59.50000113.5R343 V344R343-S347 PolarHBondContact O-N 3.21Å; R343-S347 PolarHBondContact O-OG 2.87Å; V344-S347 PolarHBondContact O-N 3.19Å
348G89.4Confident94.4Very high4 Ų421.4 Ų21.44%0.04110%0.104CC..  trans89.5-174.2167.300000115.1V344 F345 Q346 A350 C351 V352V344-G348 PolarHBondContact O-N 3.47Å; F345-G348 PolarHBondContact O-N 3.36Å; Q346-G348 PolarHBondContact O-N 3.32Å; G348-A350 VanDerWaalsContact C-N 3.29Å; G348-A350 PolarHBondContact O-N 3.07Å; G348-C351 PolarHBondContact O-N 3.23Å; G348-C351 VanDerWaalsContact O-N 3.17Å; G348-V352 PolarHBondContact O-N 2.87Å
349K91.8Very high94.4Very high52 Ų5220.6 Ų20.623%0.22610%0.099CC..Hα-helixtrans-62.6-29.7-16670.3173-177.71720114.6E234 L353 I384 Q385 V392E234-K349 WeakPolarHBondContact OE1-CE 3.48Å; E234-K349 IonicContact OE1-NZ 3.42Å; K349-L353 VanDerWaalsContact O-CB 3.31Å; K349-L353 WeakPolarHBondContact O-CB 3.32Å; K349-L353 PolarHBondContact O-N 3.47Å; K349-I384 HydrophobicContact CB-CG1 4.27Å; K349-Q385 PolarHBondContact NZ-O 3.01Å; K349-V392 HydrophobicContact CB-CG2 4.01Å
350A91.9Very high94.4Very high10 Ų1015.9 Ų15.98%0.0838%0.077CC..Hα-helixtrans-69.4-40178.700000111.7V237 F239 G348 L353 K354V237-A350 HydrophobicContact CB-CB 4.1Å; V237-A350 HydrophobicContact CG1-CB 4.5Å; V237-A350 HydrophobicContact CG2-CB 4.44Å; F239-A350 HydrophobicContact CZ-CB 4.37Å; G348-A350 VanDerWaalsContact C-N 3.29Å; G348-A350 PolarHBondContact O-N 3.07Å; A350-L353 PolarHBondContact O-N 2.74Å; A350-K354 PolarHBondContact O-N 3.27Å
351C92.9Very high94.3Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-64.3-46.8175.3-165.60000111.1V237 G348 L353 K354 C355V237-C351 HydrophobicContact CG2-CB 4.22Å; G348-C351 PolarHBondContact O-N 3.23Å; G348-C351 VanDerWaalsContact O-N 3.17Å; C351-L353 PolarHBondContact O-N 2.92Å; C351-K354 PolarHBondContact O-N 3.17Å; C351-C355 PolarHBondContact O-N 3.38Å; C351-C355 VanDerWaalsContact O-N 3.09Å; C351-C355 PolarHBondContact O-SG 2.91Å
352V95.5Very high94.2Very high0 Ų019 Ų190%010%0.096CC..Hα-helixtrans-60.1-43.9175.4179.20000111.4L269 I273 V344 F345 G348 K354 C355 L356 I384 V392L269-V352 HydrophobicContact CD1-CG1 4.21Å; L269-V352 HydrophobicContact CD2-CG1 4.22Å; I273-V352 HydrophobicContact CD1-CG1 4.37Å; V344-V352 HydrophobicContact CG1-CG2 3.98Å; F345-V352 HydrophobicContact CD1-CG2 3.68Å; F345-V352 HydrophobicContact CE1-CG1 4.34Å; F345-V352 HydrophobicContact CE1-CG2 3.9Å; G348-V352 PolarHBondContact O-N 2.87Å; V352-K354 PolarHBondContact O-N 3.06Å; V352-C355 PolarHBondContact O-N 3.13Å; V352-L356 HydrophobicContact CG1-CD1 4.03Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.28Å; V352-I384 HydrophobicContact CB-CG1 4.3Å; V352-I384 HydrophobicContact CG1-CD1 4.2Å; V352-I384 HydrophobicContact CG1-CG1 3.97Å; V352-V392 HydrophobicContact CG2-CG1 3.77Å
353L95.7Very high94.1Very high11 Ų1119 Ų196%0.05810%0.096CC..Hα-helixtrans-62.6-40.9177.3-179.760.6000112.1F239 L247 K349 A350 C351 L356 L357 C381 I384 Q385F239-L353 HydrophobicContact CE1-CD2 4.27Å; F239-L353 HydrophobicContact CE1-CG 4.25Å; F239-L353 HydrophobicContact CZ-CB 4.48Å; F239-L353 HydrophobicContact CZ-CD2 3.97Å; F239-L353 HydrophobicContact CZ-CG 4.33Å; L247-L353 HydrophobicContact CD1-CD2 4.44Å; L247-L353 HydrophobicContact CD2-CD1 4.19Å; L247-L353 HydrophobicContact CD2-CD2 4.1Å; L247-L353 HydrophobicContact CD2-CG 4.48Å; K349-L353 VanDerWaalsContact O-CB 3.31Å; K349-L353 WeakPolarHBondContact O-CB 3.32Å; K349-L353 PolarHBondContact O-N 3.47Å; A350-L353 PolarHBondContact O-N 2.74Å; C351-L353 PolarHBondContact O-N 2.92Å; L353-L356 PolarHBondContact O-N 3.38Å; L353-L357 HydrophobicContact CD1-CD1 4.46Å; L353-L357 HydrophobicContact CD1-CG 4.32Å; L353-L357 HydrophobicContact CG-CD1 4.12Å; L353-L357 HydrophobicContact CG-CG 4.44Å; L353-L357 WeakPolarHBondContact O-CG 3.24Å; L353-L357 PolarHBondContact O-N 2.91Å; L353-C381 HydrophobicContact CD1-CB 3.99Å; L353-I384 HydrophobicContact CB-CG2 4.01Å; L353-I384 HydrophobicContact CD1-CG2 3.8Å; L353-I384 HydrophobicContact CG-CG2 4.42Å; L353-Q385 HydrophobicContact CD1-CG 4.45Å; L353-Q385 HydrophobicContact CD2-CG 3.71Å
354K95.1Very high93.9Very high37 Ų3720 Ų2016%0.16110%0.1CC..Hα-helixtrans-61.6-43.7176.1-169172.9-178.880.10111.8W221 V237 S238 F239 E243 A350 C351 V352 L356 L357 D358W221-K354 HydrophobicContact CH2-CB 4.07Å; W221-K354 HydrophobicContact CH2-CD 3.8Å; W221-K354 HydrophobicContact CH2-CG 4.09Å; W221-K354 HydrophobicContact CZ2-CD 4.21Å; W221-K354 HydrophobicContact CZ2-CG 4.29Å; W221-K354 HydrophobicContact CZ3-CD 4.12Å; V237-K354 HydrophobicContact CG1-CB 4.1Å; V237-K354 HydrophobicContact CG1-CD 3.69Å; S238-K354 PolarHBondContact O-NZ 3.2Å; F239-K354 HydrophobicContact CE1-CB 4.13Å; E243-K354 VanDerWaalsContact CD-NZ 3.27Å; E243-K354 WeakPolarHBondContact OE1-CG 3.48Å; E243-K354 IonicContact OE1-NZ 2.9Å; E243-K354 PolarHBondContact OE1-NZ 2.91Å; E243-K354 IonicContact OE2-NZ 2.66Å; E243-K354 PolarHBondContact OE2-NZ 3.2Å; A350-K354 PolarHBondContact O-N 3.27Å; C351-K354 PolarHBondContact O-N 3.17Å; V352-K354 PolarHBondContact O-N 3.06Å; K354-L356 VanDerWaalsContact C-N 3.33Å; K354-L356 PolarHBondContact O-N 3.42Å; K354-L357 PolarHBondContact O-N 2.88Å; K354-D358 PolarHBondContact O-N 2.77Å
355C96.8Very high93.5Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-59.4-42.5173.7-56.70000111.8I273 Y276 C351 V352 D358 I359I273-C355 HydrophobicContact CD1-CB 3.77Å; Y276-C355 HydrophobicContact CD1-CB 3.83Å; Y276-C355 HydrophobicContact CE1-CB 3.52Å; C351-C355 PolarHBondContact O-N 3.38Å; C351-C355 VanDerWaalsContact O-N 3.09Å; C351-C355 PolarHBondContact O-SG 2.91Å; V352-C355 PolarHBondContact O-N 3.13Å; C355-D358 PolarHBondContact O-N 3.42Å; C355-I359 WeakPolarHBondContact O-CD1 3.42Å; C355-I359 VanDerWaalsContact O-CG1 3.25Å; C355-I359 WeakPolarHBondContact O-CG1 3.39Å; C355-I359 PolarHBondContact O-N 3.12Å
356L97.7Very high92.9Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-68.4-35.1178.4-69.1165.3000113.3L269 I272 V352 L353 K354 D358 H360 I377 C381 I384L269-L356 HydrophobicContact CD1-CD1 4.09Å; L269-L356 HydrophobicContact CD1-CD2 3.99Å; L269-L356 HydrophobicContact CD1-CG 4.43Å; I272-L356 HydrophobicContact CG2-CD2 4.47Å; V352-L356 HydrophobicContact CG1-CD1 4.03Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.28Å; L353-L356 PolarHBondContact O-N 3.38Å; K354-L356 VanDerWaalsContact C-N 3.33Å; K354-L356 PolarHBondContact O-N 3.42Å; L356-D358 VanDerWaalsContact C-N 3.35Å; L356-H360 VanDerWaalsContact O-CB 3.27Å; L356-H360 WeakPolarHBondContact O-CB 3.2Å; L356-H360 PolarHBondContact O-N 2.93Å; L356-I377 HydrophobicContact CB-CG2 4.43Å; L356-I377 HydrophobicContact CD2-CG2 4.36Å; L356-I377 VanDerWaalsContact O-CG2 3.29Å; L356-I377 WeakPolarHBondContact O-CG2 3.41Å; L356-C381 VanDerWaalsContact CB-SG 3.57Å; L356-I384 HydrophobicContact CD1-CG2 4.12Å
357L96Very high91.6Very high2 Ų228.6 Ų28.61%0.0114%0.141CC..Hα-helixtrans-67.9-35.7174.7-73.1169.3000112.2F239 E243 Q246 L247 F250 L353 K354 H360 T361F239-L357 HydrophobicContact CD1-CD1 3.97Å; F239-L357 HydrophobicContact CE1-CD1 3.92Å; E243-L357 HydrophobicContact CB-CD1 4.05Å; E243-L357 HydrophobicContact CG-CB 4.35Å; E243-L357 HydrophobicContact CG-CD1 4.14Å; Q246-L357 HydrophobicContact CG-CD2 4.23Å; L247-L357 HydrophobicContact CD1-CD1 4.09Å; L247-L357 HydrophobicContact CD2-CD1 4.21Å; L247-L357 HydrophobicContact CD2-CD2 4.08Å; L247-L357 HydrophobicContact CG-CD1 4.07Å; L247-L357 HydrophobicContact CG-CD2 4.2Å; F250-L357 HydrophobicContact CE2-CD2 3.81Å; F250-L357 HydrophobicContact CZ-CD2 4.28Å; L353-L357 HydrophobicContact CD1-CD1 4.46Å; L353-L357 HydrophobicContact CD1-CG 4.32Å; L353-L357 HydrophobicContact CG-CD1 4.12Å; L353-L357 HydrophobicContact CG-CG 4.44Å; L353-L357 WeakPolarHBondContact O-CG 3.24Å; L353-L357 PolarHBondContact O-N 2.91Å; K354-L357 PolarHBondContact O-N 2.88Å; L357-H360 PolarHBondContact O-N 3.16Å; L357-T361 PolarHBondContact O-N 3.03Å; L357-T361 PolarHBondContact O-OG1 2.98Å
358D96.1Very high91Very high39 Ų3929.2 Ų29.221%0.20914%0.144CC..Hα-helixtrans-66.6-51.5175.1-166.423.7000110.7Y276 H287 K354 C355 L356 H360 T361 V362Y276-D358 HydrophobicContact CE2-CB 4.12Å; Y276-D358 WeakPolarHBondContact CE2-OD2 3.3Å; Y276-D358 VanDerWaalsContact CZ-OD2 3.32Å; Y276-D358 PolarHBondContact OH-OD2 3.29Å; H287-D358 IonicContact CD2-OD1 3.8Å; H287-D358 IonicContact CE1-OD2 3.57Å; H287-D358 IonicContact NE2-OD1 3.91Å; H287-D358 PolarHBondContact NE2-OD1 3.21Å; H287-D358 IonicContact NE2-OD2 2.63Å; H287-D358 PolarHBondContact NE2-OD2 3.33Å; K354-D358 PolarHBondContact O-N 2.77Å; C355-D358 PolarHBondContact O-N 3.42Å; L356-D358 VanDerWaalsContact C-N 3.35Å; D358-H360 VanDerWaalsContact C-N 3.26Å; D358-H360 PolarHBondContact O-N 2.86Å; D358-T361 WeakPolarHBondContact O-CA 3.26Å; D358-T361 WeakPolarHBondContact O-CB 3.41Å; D358-T361 PolarHBondContact O-N 3.12Å; D358-V362 WeakPolarHBondContact O-CG2 3.46Å; D358-V362 PolarHBondContact O-N 3.15Å
359I96.8Very high90.7Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-53.6-43.4171.8-62.6163.1000111.4I272 Y276 I295 C355 T361 V362 F363 I377I272-I359 HydrophobicContact CG2-CD1 3.78Å; Y276-I359 HydrophobicContact CD2-CD1 4.03Å; Y276-I359 HydrophobicContact CD2-CG1 3.47Å; Y276-I359 VanDerWaalsContact CD2-CG1 3.47Å; Y276-I359 HydrophobicContact CE2-CG1 4.15Å; Y276-I359 HydrophobicContact CG-CD1 3.86Å; Y276-I359 HydrophobicContact CG-CG1 3.86Å; I295-I359 HydrophobicContact CD1-CG1 4.44Å; I295-I359 HydrophobicContact CG2-CG2 4.22Å; C355-I359 WeakPolarHBondContact O-CD1 3.42Å; C355-I359 VanDerWaalsContact O-CG1 3.25Å; C355-I359 WeakPolarHBondContact O-CG1 3.39Å; C355-I359 PolarHBondContact O-N 3.12Å; I359-T361 VanDerWaalsContact C-N 3.26Å; I359-T361 PolarHBondContact O-N 2.94Å; I359-V362 PolarHBondContact O-N 3.09Å; I359-F363 HydrophobicContact CG2-CD2 3.9Å; I359-F363 HydrophobicContact CG2-CE1 4.49Å; I359-F363 HydrophobicContact CG2-CE2 3.62Å; I359-F363 HydrophobicContact CG2-CG 4.45Å; I359-F363 HydrophobicContact CG2-CZ 3.94Å; I359-F363 PolarHBondContact O-N 2.89Å; I359-I377 HydrophobicContact CG2-CD1 3.96Å; I359-I377 HydrophobicContact CG2-CG1 4.1Å; I359-I377 HydrophobicContact CG2-CG2 4.41Å
360H95.3Very high90.4Very high6 Ų627.9 Ų27.93%0.02814%0.137CC..Hα-helixtrans-60.8-37.4178-177.9-57.4000111.9F250 L356 L357 D358 R364 N373 I377 T378F250-H360 AromaticContact CE1-CD2 3.86Å; F250-H360 AromaticContact CE1-NE2 3.58Å; F250-H360 AromaticContact CZ-CD2 3.67Å; F250-H360 AromaticContact CZ-NE2 3.81Å; L356-H360 VanDerWaalsContact O-CB 3.27Å; L356-H360 WeakPolarHBondContact O-CB 3.2Å; L356-H360 PolarHBondContact O-N 2.93Å; L357-H360 PolarHBondContact O-N 3.16Å; D358-H360 VanDerWaalsContact C-N 3.26Å; D358-H360 PolarHBondContact O-N 2.86Å; H360-R364 PolarHBondContact CE1-NH2 3.42Å; H360-R364 VanDerWaalsContact O-CB 3.29Å; H360-R364 WeakPolarHBondContact O-CB 3.43Å; H360-R364 PolarHBondContact O-N 2.88Å; H360-N373 WeakPolarHBondContact CA-OD1 3.17Å; H360-N373 PolarHBondContact O-ND2 3.02Å; H360-I377 HydrophobicContact CB-CG2 3.86Å; H360-T378 PolarHBondContact NE2-OG1 2.98Å
361T94.3Very high90.1Very high55 Ų5527.6 Ų27.634%0.33713%0.134SC..Hα-helixtrans-69.3-50178.5-55.50000110.3L357 D358 I359 F363 R364 E365L357-T361 PolarHBondContact O-N 3.03Å; L357-T361 PolarHBondContact O-OG1 2.98Å; D358-T361 WeakPolarHBondContact O-CA 3.26Å; D358-T361 WeakPolarHBondContact O-CB 3.41Å; D358-T361 PolarHBondContact O-N 3.12Å; I359-T361 VanDerWaalsContact C-N 3.26Å; I359-T361 PolarHBondContact O-N 2.94Å; T361-F363 VanDerWaalsContact C-N 3.31Å; T361-F363 PolarHBondContact O-N 2.74Å; T361-R364 WeakPolarHBondContact O-CB 3.5Å; T361-R364 PolarHBondContact O-N 2.89Å; T361-E365 PolarHBondContact O-N 2.9Å; T361-E365 VanDerWaalsContact O-N 3.09Å
362V93.9Very high89.9Confident10 Ų1027.6 Ų27.66%0.06113%0.134CC..Hα-helixtrans-53.7-44.4175.2174.60000112.1H287 P292 I295 D358 I359 N366H287-V362 HydrophobicContact CB-CG2 4.21Å; P292-V362 HydrophobicContact CB-CG1 4.05Å; P292-V362 HydrophobicContact CG-CG1 3.6Å; I295-V362 HydrophobicContact CD1-CG1 4.23Å; D358-V362 WeakPolarHBondContact O-CG2 3.46Å; D358-V362 PolarHBondContact O-N 3.15Å; I359-V362 PolarHBondContact O-N 3.09Å; V362-N366 PolarHBondContact O-N 3.29Å
363F92.9Very high89.7Confident0 Ų027.9 Ų27.90%014%0.135CC..Hα-helixtrans-74.3-29.1176.6-69.9-9.7000113.9P292 I295 R296 L302 I359 T361 E365 A369 Y370 L372 I377P292-F363 HydrophobicContact CB-CD1 4.22Å; P292-F363 HydrophobicContact CB-CE1 4.46Å; I295-F363 HydrophobicContact CB-CE1 4.12Å; I295-F363 HydrophobicContact CB-CZ 4.15Å; I295-F363 HydrophobicContact CG2-CE1 4.19Å; I295-F363 HydrophobicContact CG2-CZ 3.75Å; R296-F363 HydrophobicContact CB-CZ 4.35Å; L302-F363 HydrophobicContact CD1-CE2 3.76Å; L302-F363 HydrophobicContact CD1-CZ 3.71Å; I359-F363 HydrophobicContact CG2-CD2 3.9Å; I359-F363 HydrophobicContact CG2-CE1 4.49Å; I359-F363 HydrophobicContact CG2-CE2 3.62Å; I359-F363 HydrophobicContact CG2-CG 4.45Å; I359-F363 HydrophobicContact CG2-CZ 3.94Å; I359-F363 PolarHBondContact O-N 2.89Å; T361-F363 VanDerWaalsContact C-N 3.31Å; T361-F363 PolarHBondContact O-N 2.74Å; F363-E365 VanDerWaalsContact C-N 3.31Å; F363-A369 HydrophobicContact CB-CB 4.26Å; F363-A369 HydrophobicContact CD1-CB 3.87Å; F363-A369 HydrophobicContact CG-CB 4.15Å; F363-Y370 WeakPolarHBondContact O-CA 3.49Å; F363-Y370 WeakPolarHBondContact O-CB 3.31Å; F363-Y370 PolarHBondContact O-N 2.94Å; F363-Y370 VanDerWaalsContact O-N 3.11Å; F363-L372 HydrophobicContact CD2-CB 3.83Å; F363-L372 HydrophobicContact CD2-CD1 4.41Å; F363-L372 HydrophobicContact CE2-CB 3.92Å; F363-L372 HydrophobicContact CE2-CD1 3.98Å; F363-L372 HydrophobicContact CZ-CD1 4.13Å; F363-I377 HydrophobicContact CD2-CG1 3.91Å; F363-I377 HydrophobicContact CE2-CD1 4.2Å; F363-I377 HydrophobicContact CE2-CG1 4Å
364R89.1Confident89.3Confident103 Ų10330 Ų3039%0.38915%0.147SC..Hα-helixtrans-66.4-34174.4166.7178.2-72.6163.5-2.2111.9R25 Q246 H360 T361R25-R364 PolarHBondContact NH1-O 2.88Å; R25-R364 PolarHBondContact NH2-O 3.41Å; Q246-R364 VanDerWaalsContact CD-NH2 3.26Å; H360-R364 PolarHBondContact CE1-NH2 3.42Å; H360-R364 VanDerWaalsContact O-CB 3.29Å; H360-R364 WeakPolarHBondContact O-CB 3.43Å; H360-R364 PolarHBondContact O-N 2.88Å; T361-R364 WeakPolarHBondContact O-CB 3.5Å; T361-R364 PolarHBondContact O-N 2.89Å
365E86.7Confident89Confident147 Ų14728.2 Ų28.269%0.68714%0.139SC*.Hα-helixtrans-77.2-31.2-178.5-69174.7-176.600111.2T361 F363T361-E365 PolarHBondContact O-N 2.9Å; T361-E365 VanDerWaalsContact O-N 3.09Å; F363-E365 VanDerWaalsContact C-N 3.31Å
366N81.4Confident88.9Confident41 Ų4128.5 Ų28.522%0.21914%0.14CC..SBendtrans-84.4119.1-176.8-175.6-96.7000114.1R25 P292 V362 P368 A369 Y370R25-N366 PolarHBondContact NH2-O 2.94Å; P292-N366 HydrophobicContact CB-CB 3.65Å; P292-N366 HydrophobicContact CG-CB 3.58Å; V362-N366 PolarHBondContact O-N 3.29Å; N366-P368 VanDerWaalsContact OD1-CD 3.23Å; N366-P368 WeakPolarHBondContact OD1-CD 3.34Å; N366-P368 WeakPolarHBondContact OD1-CG 3.38Å; N366-A369 HydrophobicContact CB-CB 4.04Å; N366-A369 PolarHBondContact O-N 3.04Å; N366-A369 VanDerWaalsContact O-N 3.13Å; N366-A369 WeakPolarHBondContact OD1-CB 3.45Å; N366-A369 PolarHBondContact OD1-N 2.71Å; N366-A369 VanDerWaalsContact OD1-N 3.16Å; N366-Y370 PolarHBondContact O-N 3.45Å
367E65.4Low88.8Confident57 Ų5728.5 Ų28.527%0.26614%0.14SC..THydrogen-bonded Turntrans-46.5-50.6-174.7-103.4-66.794.700115.7R25 K43 Y370R25-E367 IonicContact CZ-OE1 3.42Å; R25-E367 IonicContact NE-OE1 3.76Å; R25-E367 IonicContact NH1-OE1 3.74Å; R25-E367 PolarHBondContact NH1-OE1 2.77Å; K43-E367 IonicContact NZ-OE2 3.92Å; K43-E367 PolarHBondContact NZ-OE2 2.74Å; E367-Y370 WeakPolarHBondContact O-CD1 3.17Å; E367-Y370 WeakPolarHBondContact O-CE1 3.34Å
368P76.3Confident88.6Confident40 Ų4029.6 Ų29.626%0.2615%0.147SC..THydrogen-bonded Turntrans-83-29.5176.831.5-36.6000113.5V171 N366 Y370 I371V171-P368 HydrophobicContact CG2-CB 3.67Å; V171-P368 WeakPolarHBondContact CG2-O 3.36Å; N366-P368 VanDerWaalsContact OD1-CD 3.23Å; N366-P368 WeakPolarHBondContact OD1-CD 3.34Å; N366-P368 WeakPolarHBondContact OD1-CG 3.38Å; P368-Y370 PolarHBondContact O-N 2.68Å; P368-I371 WeakPolarHBondContact O-CG2 3.3Å
369A83.6Confident88.4Confident0 Ų028.2 Ų28.20%014%0.14CC..THydrogen-bonded Turntrans-79.1-17.5-168.600000116.3P292 F363 N366 I371 L372P292-A369 HydrophobicContact CB-CB 4.41Å; F363-A369 HydrophobicContact CB-CB 4.26Å; F363-A369 HydrophobicContact CD1-CB 3.87Å; F363-A369 HydrophobicContact CG-CB 4.15Å; N366-A369 HydrophobicContact CB-CB 4.04Å; N366-A369 PolarHBondContact O-N 3.04Å; N366-A369 VanDerWaalsContact O-N 3.13Å; N366-A369 WeakPolarHBondContact OD1-CB 3.45Å; N366-A369 PolarHBondContact OD1-N 2.71Å; N366-A369 VanDerWaalsContact OD1-N 3.16Å; A369-I371 PolarHBondContact O-N 3.08Å; A369-I371 VanDerWaalsContact O-N 3.08Å; A369-L372 VanDerWaalsContact O-CB 3.29Å; A369-L372 WeakPolarHBondContact O-CB 3.45Å; A369-L372 PolarHBondContact O-N 3.27Å
370Y84.7Confident88.4Confident28 Ų2828.2 Ų28.211%0.1114%0.14CC..THydrogen-bonded Turntrans-57.2-30.9-172.671.8-82.6000114.4Y23 R25 F363 N366 E367 P368 L372 N373Y23-Y370 WeakPolarHBondContact O-CE2 3.39Å; Y23-Y370 PolarHBondContact O-OH 2.9Å; R25-Y370 HydrophobicContact CG-CD2 4.41Å; R25-Y370 HydrophobicContact CG-CE2 4.37Å; R25-Y370 VanDerWaalsContact NE-CD1 3.32Å; F363-Y370 WeakPolarHBondContact O-CA 3.49Å; F363-Y370 WeakPolarHBondContact O-CB 3.31Å; F363-Y370 PolarHBondContact O-N 2.94Å; F363-Y370 VanDerWaalsContact O-N 3.11Å; N366-Y370 PolarHBondContact O-N 3.45Å; E367-Y370 WeakPolarHBondContact O-CD1 3.17Å; E367-Y370 WeakPolarHBondContact O-CE1 3.34Å; P368-Y370 PolarHBondContact O-N 2.68Å; Y370-L372 PolarHBondContact O-N 2.83Å; Y370-N373 WeakPolarHBondContact O-CA 3.07Å; Y370-N373 WeakPolarHBondContact O-CB 3.34Å; Y370-N373 PolarHBondContact O-N 3.42Å
371I84.9Confident88.3Confident4 Ų428 Ų282%0.02114%0.138CC..Hα-helixtrans-61.4-22.5177.2-172.1150.4000113.3Y23 V160 L164 L168 P368 A369 N373 D374 L375Y23-I371 HydrophobicContact CD2-CD1 4.29Å; V160-I371 HydrophobicContact CG1-CD1 4.13Å; L164-I371 HydrophobicContact CD1-CD1 3.35Å; L168-I371 HydrophobicContact CD1-CD1 3.95Å; L168-I371 HydrophobicContact CD2-CB 4.38Å; L168-I371 HydrophobicContact CD2-CD1 3.96Å; L168-I371 HydrophobicContact CD2-CG1 4.23Å; L168-I371 HydrophobicContact CD2-CG2 3.38Å; L168-I371 HydrophobicContact CG-CD1 4.3Å; P368-I371 WeakPolarHBondContact O-CG2 3.3Å; A369-I371 PolarHBondContact O-N 3.08Å; A369-I371 VanDerWaalsContact O-N 3.08Å; I371-N373 PolarHBondContact O-N 2.6Å; I371-D374 PolarHBondContact O-N 3.21Å; I371-L375 HydrophobicContact CG1-CD1 4.08Å; I371-L375 HydrophobicContact CG1-CG 4.23Å; I371-L375 WeakPolarHBondContact O-CB 3.34Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.45Å; I371-L375 PolarHBondContact O-N 2.77Å
372L90.3Very high88.2Confident0 Ų025.7 Ų25.70%012%0.124CC..Hα-helixtrans-67.2-22.7170.6-62.3177.1000112.4V171 R296 L302 F363 A369 Y370 Y376 I377V171-L372 HydrophobicContact CG1-CD1 3.81Å; V171-L372 HydrophobicContact CG1-CD2 3.95Å; V171-L372 HydrophobicContact CG1-CG 3.82Å; R296-L372 HydrophobicContact CB-CD1 3.94Å; L302-L372 HydrophobicContact CB-CD1 4.24Å; L302-L372 HydrophobicContact CD2-CB 4.35Å; L302-L372 HydrophobicContact CD2-CD1 4.45Å; L302-L372 HydrophobicContact CD2-CD2 4.28Å; F363-L372 HydrophobicContact CD2-CB 3.83Å; F363-L372 HydrophobicContact CD2-CD1 4.41Å; F363-L372 HydrophobicContact CE2-CB 3.92Å; F363-L372 HydrophobicContact CE2-CD1 3.98Å; F363-L372 HydrophobicContact CZ-CD1 4.13Å; A369-L372 VanDerWaalsContact O-CB 3.29Å; A369-L372 WeakPolarHBondContact O-CB 3.45Å; A369-L372 PolarHBondContact O-N 3.27Å; Y370-L372 PolarHBondContact O-N 2.83Å; L372-Y376 HydrophobicContact CD2-CD2 4.47Å; L372-Y376 WeakPolarHBondContact O-CA 3.26Å; L372-Y376 WeakPolarHBondContact O-CB 3.46Å; L372-Y376 PolarHBondContact O-N 2.97Å; L372-I377 PolarHBondContact O-N 3.37Å; L372-I377 VanDerWaalsContact O-N 3.07Å
373N91.4Very high88.2Confident5 Ų526.3 Ų26.33%0.02713%0.125CC..Iπ-helixtrans-66.4-50.3170.3-65.6-26.7000110.7H360 Y370 I371 L375 Y376 I377 T378H360-N373 WeakPolarHBondContact CA-OD1 3.17Å; H360-N373 PolarHBondContact O-ND2 3.02Å; Y370-N373 WeakPolarHBondContact O-CA 3.07Å; Y370-N373 WeakPolarHBondContact O-CB 3.34Å; Y370-N373 PolarHBondContact O-N 3.42Å; I371-N373 PolarHBondContact O-N 2.6Å; N373-L375 VanDerWaalsContact C-N 3.33Å; N373-L375 PolarHBondContact O-N 3.3Å; N373-Y376 CarbonylContact O-C 3.45Å; N373-Y376 PolarHBondContact O-N 3.15Å; N373-I377 PolarHBondContact O-N 3.32Å; N373-I377 VanDerWaalsContact O-N 3.1Å; N373-I377 WeakPolarHBondContact OD1-CB 3.03Å; N373-T378 VanDerWaalsContact O-CB 3.26Å; N373-T378 WeakPolarHBondContact O-CB 3.39Å; N373-T378 PolarHBondContact O-N 3.43Å; N373-T378 PolarHBondContact O-OG1 2.7Å
374D86.9Confident88.2Confident55 Ų5526.3 Ų26.329%0.29413%0.126SC..Iπ-helixtrans-71.3-27.6-177.7-63.6-10.8000113.3Y23 R157 I371Y23-D374 HydrophobicContact CD1-CB 4.05Å; Y23-D374 WeakPolarHBondContact CD1-OD2 3.37Å; Y23-D374 HydrophobicContact CE1-CB 4.16Å; R157-D374 PolarHBondContact NH2-O 3.43Å; I371-D374 PolarHBondContact O-N 3.21Å
375L89.1Confident88.3Confident0 Ų025.3 Ų25.30%013%0.125CC..Iπ-helixtrans-82.5-33.2174.5-70.5176.9000113.4Y151 G152 F153 R157 V160 F161 I371 N373Y151-L375 HydrophobicContact CD2-CD2 4.34Å; Y151-L375 HydrophobicContact CE2-CD2 4.22Å; G152-L375 CarbonylContact C-O 3.6Å; G152-L375 WeakPolarHBondContact CA-O 3.37Å; F153-L375 PolarHBondContact N-O 3.31Å; R157-L375 HydrophobicContact CB-CD2 4.12Å; R157-L375 HydrophobicContact CG-CD2 4.05Å; V160-L375 HydrophobicContact CB-CD2 4.43Å; V160-L375 HydrophobicContact CG1-CD2 4.3Å; V160-L375 HydrophobicContact CG2-CD2 4.14Å; F161-L375 HydrophobicContact CE2-CD1 3.92Å; F161-L375 HydrophobicContact CZ-CD1 3.79Å; I371-L375 HydrophobicContact CG1-CD1 4.08Å; I371-L375 HydrophobicContact CG1-CG 4.23Å; I371-L375 WeakPolarHBondContact O-CB 3.34Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.45Å; I371-L375 PolarHBondContact O-N 2.77Å; N373-L375 VanDerWaalsContact C-N 3.33Å; N373-L375 PolarHBondContact O-N 3.3Å
376Y93.6Very high88.4Confident7 Ų724.1 Ų24.13%0.02712%0.115CC..Iπ-helixtrans-139.1-62.5-171.4-67.7-84000114.4G152 T301 L302 L305 L372 N373 T378 D379 Y380G152-Y376 VanDerWaalsContact CA-CE1 3.47Å; G152-Y376 PolarHBondContact N-OH 3.04Å; G152-Y376 VanDerWaalsContact N-OH 3.14Å; T301-Y376 HydrophobicContact CG2-CD1 3.94Å; T301-Y376 HydrophobicContact CG2-CE1 3.47Å; T301-Y376 VanDerWaalsContact CG2-CE1 3.47Å; T301-Y376 PolarHBondContact O-OH 3.31Å; L302-Y376 HydrophobicContact CD2-CD2 3.81Å; L302-Y376 HydrophobicContact CD2-CE2 4.48Å; L302-Y376 HydrophobicContact CD2-CG 3.97Å; L305-Y376 HydrophobicContact CD2-CE2 3.74Å; L305-Y376 VanDerWaalsContact CD2-OH 3.31Å; L305-Y376 WeakPolarHBondContact CD2-OH 3.43Å; L372-Y376 HydrophobicContact CD2-CD2 4.47Å; L372-Y376 WeakPolarHBondContact O-CA 3.26Å; L372-Y376 WeakPolarHBondContact O-CB 3.46Å; L372-Y376 PolarHBondContact O-N 2.97Å; N373-Y376 CarbonylContact O-C 3.45Å; N373-Y376 PolarHBondContact O-N 3.15Å; Y376-T378 PolarHBondContact O-N 3.21Å; Y376-D379 PolarHBondContact O-N 3.47Å; Y376-Y380 HydrophobicContact CD1-CE2 4.23Å; Y376-Y380 WeakPolarHBondContact O-CD2 3.39Å; Y376-Y380 PolarHBondContact O-N 3.03Å
377I95.4Very high88.7Confident0 Ų023 Ų230%011%0.109CC..Iπ-helixtrans-68.6-40.3-160.7-46.2-57.6000112.7I272 L302 L356 I359 H360 F363 L372 N373 D379 Y380 C381I272-I377 HydrophobicContact CD1-CD1 4.22Å; I272-I377 HydrophobicContact CG2-CD1 4.15Å; L302-I377 HydrophobicContact CD2-CD1 4.31Å; L356-I377 HydrophobicContact CB-CG2 4.43Å; L356-I377 HydrophobicContact CD2-CG2 4.36Å; L356-I377 VanDerWaalsContact O-CG2 3.29Å; L356-I377 WeakPolarHBondContact O-CG2 3.41Å; I359-I377 HydrophobicContact CG2-CD1 3.96Å; I359-I377 HydrophobicContact CG2-CG1 4.1Å; I359-I377 HydrophobicContact CG2-CG2 4.41Å; H360-I377 HydrophobicContact CB-CG2 3.86Å; F363-I377 HydrophobicContact CD2-CG1 3.91Å; F363-I377 HydrophobicContact CE2-CD1 4.2Å; F363-I377 HydrophobicContact CE2-CG1 4Å; L372-I377 PolarHBondContact O-N 3.37Å; L372-I377 VanDerWaalsContact O-N 3.07Å; N373-I377 PolarHBondContact O-N 3.32Å; N373-I377 VanDerWaalsContact O-N 3.1Å; N373-I377 WeakPolarHBondContact OD1-CB 3.03Å; I377-D379 PolarHBondContact O-N 2.87Å; I377-Y380 WeakPolarHBondContact O-CB 3.42Å; I377-Y380 PolarHBondContact O-N 3.2Å; I377-C381 PolarHBondContact O-N 3.44Å; I377-C381 PolarHBondContact O-SG 2.88Å
378T92.2Very high89.8Confident24 Ų2428 Ų2815%0.14713%0.13CC..Hα-helixtrans-59-48.1176.1-64.10000111.3F250 H360 N373 Y376 Y380 C381 V382F250-T378 HydrophobicContact CD1-CG2 3.68Å; F250-T378 HydrophobicContact CE1-CG2 3.76Å; H360-T378 PolarHBondContact NE2-OG1 2.98Å; N373-T378 VanDerWaalsContact O-CB 3.26Å; N373-T378 WeakPolarHBondContact O-CB 3.39Å; N373-T378 PolarHBondContact O-N 3.43Å; N373-T378 PolarHBondContact O-OG1 2.7Å; Y376-T378 PolarHBondContact O-N 3.21Å; T378-Y380 VanDerWaalsContact C-N 3.31Å; T378-Y380 PolarHBondContact O-N 2.99Å; T378-C381 WeakPolarHBondContact O-CB 3.44Å; T378-C381 PolarHBondContact O-N 2.89Å; T378-V382 PolarHBondContact O-N 3.34Å
379D92.5Very high90.3Very high11 Ų1127.8 Ų27.86%0.05913%0.129CC..Hα-helixtrans-64.5-35.8177.5-78.2-36.1000111.8F153 R157 Y255 Y376 I377 V382 W383F153-D379 HydrophobicContact CB-CB 3.51Å; F153-D379 HydrophobicContact CD1-CB 3.63Å; F153-D379 HydrophobicContact CD2-CB 3.86Å; F153-D379 HydrophobicContact CE1-CB 4.37Å; F153-D379 HydrophobicContact CG-CB 3.37Å; R157-D379 IonicContact CZ-OD2 3.44Å; R157-D379 IonicContact NH1-OD2 2.87Å; R157-D379 IonicContact NH2-OD1 3.67Å; R157-D379 IonicContact NH2-OD2 2.66Å; R157-D379 PolarHBondContact NH2-OD2 3.25Å; Y255-D379 HydrophobicContact CE1-CB 4.14Å; Y255-D379 VanDerWaalsContact CE1-OD1 3.23Å; Y255-D379 WeakPolarHBondContact CE1-OD1 3.4Å; Y255-D379 VanDerWaalsContact CZ-OD1 3.26Å; Y255-D379 WeakPolarHBondContact OH-CA 3.44Å; Y255-D379 PolarHBondContact OH-OD1 3.3Å; Y376-D379 PolarHBondContact O-N 3.47Å; I377-D379 PolarHBondContact O-N 2.87Å; D379-V382 PolarHBondContact O-N 3.27Å; D379-W383 WeakPolarHBondContact O-CB 3.34Å; D379-W383 PolarHBondContact O-N 2.9Å
380Y95.6Very high90.5Very high0 Ų038.3 Ų38.30%017%0.169CC..Hα-helixtrans-63.7-44.3172.4-86.8-62000113F153 V265 S268 L269 I272 Y376 I377 T378 V382 W383 I384F153-Y380 AromaticContact CD2-CD1 3.89Å; F153-Y380 HydrophobicContact CD2-CD1 3.89Å; F153-Y380 AromaticContact CD2-CD2 3.92Å; F153-Y380 HydrophobicContact CD2-CD2 3.92Å; F153-Y380 AromaticContact CD2-CE1 3.76Å; F153-Y380 HydrophobicContact CD2-CE1 3.76Å; F153-Y380 AromaticContact CD2-CE2 3.81Å; F153-Y380 HydrophobicContact CD2-CE2 3.81Å; F153-Y380 AromaticContact CD2-CG 3.93Å; F153-Y380 HydrophobicContact CD2-CG 3.93Å; F153-Y380 AromaticContact CD2-CZ 3.68Å; F153-Y380 AromaticContact CE2-CD1 3.62Å; F153-Y380 HydrophobicContact CE2-CD1 3.62Å; F153-Y380 HydrophobicContact CE2-CD2 4.49Å; F153-Y380 AromaticContact CE2-CE1 3.54Å; F153-Y380 HydrophobicContact CE2-CE1 3.54Å; F153-Y380 HydrophobicContact CE2-CE2 4.44Å; F153-Y380 HydrophobicContact CE2-CG 4.08Å; F153-Y380 AromaticContact CE2-CZ 3.94Å; V265-Y380 HydrophobicContact CG1-CE1 3.69Å; V265-Y380 PolarHBondContact O-OH 3.37Å; V265-Y380 VanDerWaalsContact O-OH 3.1Å; S268-Y380 PolarHBondContact OG-OH 3.3Å; L269-Y380 HydrophobicContact CB-CD1 4.23Å; L269-Y380 HydrophobicContact CB-CE1 3.71Å; L269-Y380 HydrophobicContact CD1-CD1 3.95Å; L269-Y380 HydrophobicContact CD1-CE1 4.28Å; L269-Y380 HydrophobicContact CD1-CG 4.43Å; L269-Y380 HydrophobicContact CG-CD1 4.47Å; L269-Y380 HydrophobicContact CG-CE1 4.42Å; I272-Y380 HydrophobicContact CD1-CD2 4.01Å; I272-Y380 HydrophobicContact CD1-CE2 3.68Å; Y376-Y380 HydrophobicContact CD1-CE2 4.23Å; Y376-Y380 WeakPolarHBondContact O-CD2 3.39Å; Y376-Y380 PolarHBondContact O-N 3.03Å; I377-Y380 WeakPolarHBondContact O-CB 3.42Å; I377-Y380 PolarHBondContact O-N 3.2Å; T378-Y380 VanDerWaalsContact C-N 3.31Å; T378-Y380 PolarHBondContact O-N 2.99Å; Y380-V382 VanDerWaalsContact C-N 3.35Å; Y380-V382 PolarHBondContact O-N 3.3Å; Y380-W383 HydrophobicContact CD1-CE3 4.33Å; Y380-W383 PolarHBondContact O-N 2.55Å; Y380-I384 WeakPolarHBondContact O-CB 3.45Å; Y380-I384 WeakPolarHBondContact O-CG2 3.37Å; Y380-I384 PolarHBondContact O-N 3.25Å
381C94.4Very high90.7Very high0 Ų042 Ų420%019%0.186CC..Hα-helixtrans-58.7-43.1175.8-76.60000112.1F250 L353 L356 I377 T378 Q385F250-C381 HydrophobicContact CD2-CB 4.12Å; F250-C381 HydrophobicContact CE2-CB 3.57Å; F250-C381 HydrophobicContact CZ-CB 4.03Å; L353-C381 HydrophobicContact CD1-CB 3.99Å; L356-C381 VanDerWaalsContact CB-SG 3.57Å; I377-C381 PolarHBondContact O-N 3.44Å; I377-C381 PolarHBondContact O-SG 2.88Å; T378-C381 WeakPolarHBondContact O-CB 3.44Å; T378-C381 PolarHBondContact O-N 2.89Å; C381-Q385 WeakPolarHBondContact O-CG 3.47Å; C381-Q385 PolarHBondContact O-NE2 3.48Å
382V91.4Very high90.9Very high7 Ų741.8 Ų41.84%0.04219%0.185CC..Hα-helixtrans-72-43.6177177.70000111.4F250 Y255 T378 D379 Y380F250-V382 HydrophobicContact CB-CG2 3.79Å; F250-V382 HydrophobicContact CG-CG2 4.28Å; Y255-V382 HydrophobicContact CE2-CB 4.23Å; Y255-V382 HydrophobicContact CE2-CG1 3.99Å; T378-V382 PolarHBondContact O-N 3.34Å; D379-V382 PolarHBondContact O-N 3.27Å; Y380-V382 VanDerWaalsContact C-N 3.35Å; Y380-V382 PolarHBondContact O-N 3.3Å
383W93.6Very high91Very high23 Ų2344.5 Ų44.59%0.08720%0.201CC..Hα-helixtrans-65.1-46.6-177177.385.3000112.9F153 Y255 V265 W266 L269 D379 Y380 Q385 R386 V387F153-W383 HydrophobicContact CE2-CB 4.02Å; F153-W383 HydrophobicContact CE2-CD2 4.32Å; F153-W383 HydrophobicContact CE2-CG 4.08Å; F153-W383 HydrophobicContact CZ-CB 3.64Å; F153-W383 AromaticContact CZ-CD1 3.65Å; F153-W383 HydrophobicContact CZ-CD2 4.05Å; F153-W383 AromaticContact CZ-CG 3.52Å; F153-W383 HydrophobicContact CZ-CG 3.52Å; Y255-W383 HydrophobicContact CD2-CB 3.99Å; Y255-W383 AromaticContact CD2-CD1 3.91Å; Y255-W383 HydrophobicContact CD2-CG 4.38Å; Y255-W383 HydrophobicContact CE2-CB 3.95Å; V265-W383 HydrophobicContact CG1-CD2 4.15Å; V265-W383 HydrophobicContact CG1-CE3 4.23Å; V265-W383 HydrophobicContact CG1-CH2 3.76Å; V265-W383 HydrophobicContact CG1-CZ2 3.67Å; V265-W383 HydrophobicContact CG1-CZ3 4.06Å; W266-W383 AromaticContact CD2-CH2 3.78Å; W266-W383 HydrophobicContact CD2-CH2 3.78Å; W266-W383 AromaticContact CE2-CH2 3.58Å; W266-W383 HydrophobicContact CE3-CH2 4.11Å; W266-W383 HydrophobicContact CG-CH2 4.31Å; W266-W383 HydrophobicContact CH2-CH2 4.19Å; W266-W383 AromaticContact CZ2-CH2 3.81Å; W266-W383 HydrophobicContact CZ2-CH2 3.81Å; W266-W383 HydrophobicContact CZ2-CZ2 4.46Å; W266-W383 HydrophobicContact CZ3-CH2 4.31Å; W266-W383 AromaticContact NE1-CH2 3.9Å; L269-W383 HydrophobicContact CD2-CZ3 3.92Å; D379-W383 WeakPolarHBondContact O-CB 3.34Å; D379-W383 PolarHBondContact O-N 2.9Å; Y380-W383 HydrophobicContact CD1-CE3 4.33Å; Y380-W383 PolarHBondContact O-N 2.55Å; W383-Q385 PolarHBondContact O-N 3.42Å; W383-R386 PolarHBondContact O-N 3.45Å; W383-V387 HydrophobicContact CD2-CG2 3.76Å; W383-V387 HydrophobicContact CE3-CG2 3.88Å; W383-V387 HydrophobicContact CG-CG2 4.48Å; W383-V387 HydrophobicContact CH2-CG2 3.86Å; W383-V387 HydrophobicContact CZ2-CG2 3.72Å; W383-V387 HydrophobicContact CZ3-CG2 3.92Å; W383-V387 PolarHBondContact O-N 3.35Å
384I93.7Very high90.9Very high1 Ų147.1 Ų47.11%0.00522%0.223CC..Hα-helixtrans-62.8-31.4-173.4-164.362.9000112.4L269 K349 V352 L353 L356 Y380 R386 V387 V392L269-I384 HydrophobicContact CD2-CD1 4.09Å; K349-I384 HydrophobicContact CB-CG1 4.27Å; V352-I384 HydrophobicContact CB-CG1 4.3Å; V352-I384 HydrophobicContact CG1-CD1 4.2Å; V352-I384 HydrophobicContact CG1-CG1 3.97Å; L353-I384 HydrophobicContact CB-CG2 4.01Å; L353-I384 HydrophobicContact CD1-CG2 3.8Å; L353-I384 HydrophobicContact CG-CG2 4.42Å; L356-I384 HydrophobicContact CD1-CG2 4.12Å; Y380-I384 WeakPolarHBondContact O-CB 3.45Å; Y380-I384 WeakPolarHBondContact O-CG2 3.37Å; Y380-I384 PolarHBondContact O-N 3.25Å; I384-R386 VanDerWaalsContact C-N 3.3Å; I384-R386 PolarHBondContact O-N 2.9Å; I384-V387 HydrophobicContact CD1-CB 4.45Å; I384-V387 PolarHBondContact O-N 3.46Å; I384-V392 HydrophobicContact CD1-CG2 3.85Å
385Q90.7Very high91Very high81 Ų8145.8 Ų45.838%0.37922%0.216SC..Hα-helixtrans-59.9-39.2175.8-70.1176.267.900112.4K349 L353 C381 W383K349-Q385 PolarHBondContact NZ-O 3.01Å; L353-Q385 HydrophobicContact CD1-CG 4.45Å; L353-Q385 HydrophobicContact CD2-CG 3.71Å; C381-Q385 WeakPolarHBondContact O-CG 3.47Å; C381-Q385 PolarHBondContact O-NE2 3.48Å; W383-Q385 PolarHBondContact O-N 3.42Å
386R88.8Confident91.1Very high123 Ų12345.8 Ų45.846%0.46422%0.217SC..Hα-helixtrans-80.4-15.4-179.9-64.5174.7169.3-129.712.2113.1N252 H253 W383 I384N252-R386 PolarHBondContact O-NH2 3.1Å; N252-R386 PolarHBondContact OD1-NE 3.23Å; N252-R386 PolarHBondContact OD1-NH2 3.21Å; H253-R386 PolarHBondContact O-NE 3.34Å; H253-R386 PolarHBondContact O-NH2 3.35Å; W383-R386 PolarHBondContact O-N 3.45Å; I384-R386 VanDerWaalsContact C-N 3.3Å; I384-R386 PolarHBondContact O-N 2.9Å
387V88.8Confident90.9Very high17 Ų1749.5 Ų49.510%0.10324%0.237CC..SBendtrans-73.4138.8178.81750000110.8W266 W383 I384 S389 K391 V392W266-V387 HydrophobicContact CH2-CG1 3.75Å; W266-V387 HydrophobicContact CZ2-CG1 3.68Å; W383-V387 HydrophobicContact CD2-CG2 3.76Å; W383-V387 HydrophobicContact CE3-CG2 3.88Å; W383-V387 HydrophobicContact CG-CG2 4.48Å; W383-V387 HydrophobicContact CH2-CG2 3.86Å; W383-V387 HydrophobicContact CZ2-CG2 3.72Å; W383-V387 HydrophobicContact CZ3-CG2 3.92Å; W383-V387 PolarHBondContact O-N 3.35Å; I384-V387 HydrophobicContact CD1-CB 4.45Å; I384-V387 PolarHBondContact O-N 3.46Å; V387-S389 PolarHBondContact O-N 3.42Å; V387-K391 HydrophobicContact CG1-CB 4.2Å; V387-V392 HydrophobicContact CG1-CG2 3.91Å
388K87.4Confident90.7Very high162 Ų16252 Ų5270%0.70425%0.253SS*.  trans-65.9122.1173.9-62.6-170.4178.6-170.90109.7R390 K391K388-R390 PolarHBondContact O-N 3.01Å; K388-K391 WeakPolarHBondContact O-CB 3.33Å; K388-K391 PolarHBondContact O-N 3.1Å
389S87.3Confident90.6Very high35 Ų3551 Ų5125%0.24525%0.247CC..Hα-helixtrans-51.1-37.3-174.8-400000113.1E234 V387 K391 V392 T393E234-S389 PolarHBondContact OE1-OG 3.49Å; V387-S389 PolarHBondContact O-N 3.42Å; S389-K391 PolarHBondContact O-N 2.74Å; S389-K391 VanDerWaalsContact O-N 3.11Å; S389-V392 WeakPolarHBondContact O-CB 3.29Å; S389-V392 PolarHBondContact O-N 2.8Å; S389-T393 PolarHBondContact O-N 2.85Å; S389-T393 PolarHBondContact O-OG1 3.02Å
390R87.8Confident90.5Very high221 Ų22156.2 Ų56.283%0.83427%0.266SS*.Hα-helixtrans-55-27.5173.5-64.6-173.4-174.4178.62.6115.2K388 T393 A394K388-R390 PolarHBondContact O-N 3.01Å; R390-T393 WeakPolarHBondContact CA-OG1 3.19Å; R390-T393 PolarHBondContact O-OG1 3.1Å; R390-A394 VanDerWaalsContact O-CB 3.24Å; R390-A394 WeakPolarHBondContact O-CB 3.37Å; R390-A394 PolarHBondContact O-N 3.2Å
391K88.4Confident90.2Very high106 Ų10664 Ų6446%0.46130%0.299SS..Hα-helixtrans-79.5-33.7176.6-68.8-172.6175.7-177.20112.1W266 V387 K388 S389W266-K391 HydrophobicContact CH2-CB 4.24Å; W266-K391 HydrophobicContact CZ2-CB 3.93Å; V387-K391 HydrophobicContact CG1-CB 4.2Å; K388-K391 WeakPolarHBondContact O-CB 3.33Å; K388-K391 PolarHBondContact O-N 3.1Å; S389-K391 PolarHBondContact O-N 2.74Å; S389-K391 VanDerWaalsContact O-N 3.11Å
392V90.4Very high89.9Confident0 Ų066 Ų660%031%0.311CS..Hα-helixtrans-66.2-51.9174.7-174.50000109W266 F345 K349 V352 I384 V387 S389 A394 L395W266-V392 HydrophobicContact CH2-CB 4.41Å; W266-V392 HydrophobicContact CH2-CG2 3.84Å; W266-V392 HydrophobicContact CZ3-CG2 4.38Å; F345-V392 HydrophobicContact CD1-CG1 3.87Å; K349-V392 HydrophobicContact CB-CG2 4.01Å; V352-V392 HydrophobicContact CG2-CG1 3.77Å; I384-V392 HydrophobicContact CD1-CG2 3.85Å; V387-V392 HydrophobicContact CG1-CG2 3.91Å; S389-V392 WeakPolarHBondContact O-CB 3.29Å; S389-V392 PolarHBondContact O-N 2.8Å; V392-A394 VanDerWaalsContact C-N 3.27Å; V392-A394 PolarHBondContact O-N 3.45Å; V392-L395 VanDerWaalsContact O-CB 3.28Å; V392-L395 WeakPolarHBondContact O-CB 3.49Å; V392-L395 PolarHBondContact O-N 3.06Å
393T90.7Very high89.7Confident56 Ų5669.7 Ų69.734%0.34434%0.338SS..Hα-helixtrans-63.3-31.8-179.961.60000113F345 Q346 S389 R390 L395 A396F345-T393 WeakPolarHBondContact O-CA 3.28Å; Q346-T393 WeakPolarHBondContact O-CG2 3.42Å; S389-T393 PolarHBondContact O-N 2.85Å; S389-T393 PolarHBondContact O-OG1 3.02Å; R390-T393 WeakPolarHBondContact CA-OG1 3.19Å; R390-T393 PolarHBondContact O-OG1 3.1Å; T393-L395 PolarHBondContact O-N 3.46Å; T393-A396 WeakPolarHBondContact O-CB 3.37Å; T393-A396 PolarHBondContact O-N 2.92Å
394A90.3Very high89.7Confident60 Ų6069.6 Ų69.650%0.49634%0.339SS..THydrogen-bonded Turntrans-69-10.517600000114.3R390 V392 P398R390-A394 VanDerWaalsContact O-CB 3.24Å; R390-A394 WeakPolarHBondContact O-CB 3.37Å; R390-A394 PolarHBondContact O-N 3.2Å; V392-A394 VanDerWaalsContact C-N 3.27Å; V392-A394 PolarHBondContact O-N 3.45Å; A394-P398 WeakPolarHBondContact O-CD 3.31Å
395L89.6Confident89.7Confident27 Ų2773.3 Ų73.314%0.14136%0.356CS..THydrogen-bonded Turntrans-83.4-21.2177-166.160.9000112.9W266 V270 F345 V392 T393 P398 L399W266-L395 HydrophobicContact CE3-CD2 3.63Å; W266-L395 HydrophobicContact CZ3-CD2 3.98Å; V270-L395 HydrophobicContact CG2-CD2 3.59Å; V270-L395 HydrophobicContact CG2-CG 4.23Å; F345-L395 HydrophobicContact CB-CB 4.49Å; F345-L395 HydrophobicContact CD1-CD2 3.98Å; F345-L395 HydrophobicContact CD2-CD2 4.27Å; F345-L395 HydrophobicContact CE1-CD2 3.88Å; F345-L395 HydrophobicContact CE2-CD2 4.19Å; F345-L395 HydrophobicContact CG-CB 4.43Å; F345-L395 HydrophobicContact CG-CD2 4.2Å; F345-L395 HydrophobicContact CZ-CD2 4Å; V392-L395 VanDerWaalsContact O-CB 3.28Å; V392-L395 WeakPolarHBondContact O-CB 3.49Å; V392-L395 PolarHBondContact O-N 3.06Å; T393-L395 PolarHBondContact O-N 3.46Å; L395-P398 WeakPolarHBondContact O-CD 3.41Å; L395-L399 HydrophobicContact CG-CD1 4.39Å; L395-L399 PolarHBondContact O-N 3.1Å
396A91.3Very high89.9Confident1 Ų171.6 Ų71.61%0.00835%0.348CS..Hα-helixtrans-63.8-39.6177.600000113A342 F345 Q346 T393 L399 R400A342-A396 WeakPolarHBondContact O-CB 3.39Å; F345-A396 HydrophobicContact CB-CB 4.37Å; Q346-A396 HydrophobicContact CB-CB 3.86Å; T393-A396 WeakPolarHBondContact O-CB 3.37Å; T393-A396 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.35Å; A396-R400 WeakPolarHBondContact O-CG 3.41Å; A396-R400 PolarHBondContact O-N 3.43Å
397D88.8Confident90.3Very high85 Ų8573 Ų7346%0.45535%0.353SS..Hα-helixtrans-66.9-45.7-178.8-77.8-9.2000113.1R400 K401D397-R400 PolarHBondContact O-N 3.35Å; D397-K401 WeakPolarHBondContact O-CB 3.22Å; D397-K401 WeakPolarHBondContact O-CD 3.49Å; D397-K401 VanDerWaalsContact O-CG 3.26Å; D397-K401 WeakPolarHBondContact O-CG 3.42Å; D397-K401 PolarHBondContact O-N 3.27Å
398P91.4Very high90.5Very high53 Ų5374.3 Ų74.334%0.34436%0.359SS..Hα-helixtrans-53.9-48.5167.5-2934.9000113.1L311 A394 L395 R400 K401 V402L311-P398 HydrophobicContact CD2-CB 3.82Å; A394-P398 WeakPolarHBondContact O-CD 3.31Å; L395-P398 WeakPolarHBondContact O-CD 3.41Å; P398-R400 VanDerWaalsContact C-N 3.26Å; P398-R400 PolarHBondContact O-N 2.98Å; P398-K401 PolarHBondContact O-N 3.09Å; P398-V402 WeakPolarHBondContact O-CG2 3.4Å; P398-V402 PolarHBondContact O-N 2.89Å
399L90.6Very high90.9Very high3 Ų366.6 Ų66.62%0.01633%0.326CS..Hα-helixtrans-60.4-32.5-179.4-83.4165.3000113.6V270 L311 L315 A342 F345 L395 A396V270-L399 HydrophobicContact CG1-CD2 3.9Å; V270-L399 HydrophobicContact CG2-CD1 4.44Å; L311-L399 HydrophobicContact CD1-CD2 3.89Å; L311-L399 HydrophobicContact CD1-CG 4.47Å; L311-L399 HydrophobicContact CD2-CD2 4.19Å; L311-L399 HydrophobicContact CD2-CG 4.19Å; L311-L399 HydrophobicContact CG-CD2 4.44Å; L315-L399 HydrophobicContact CD2-CD2 4.27Å; A342-L399 HydrophobicContact CB-CB 3.87Å; F345-L399 HydrophobicContact CD2-CD1 3.4Å; F345-L399 HydrophobicContact CE2-CD1 3.81Å; F345-L399 HydrophobicContact CG-CD1 4.44Å; L395-L399 HydrophobicContact CG-CD1 4.39Å; L395-L399 PolarHBondContact O-N 3.1Å; A396-L399 PolarHBondContact O-N 3.35Å
400R90.6Very high91.3Very high119 Ų11971.1 Ų71.145%0.44935%0.347SS..Hα-helixtrans-78.8-21.7175-71.4171.9-179.9168.12.1114.4A342 Q346 A396 D397 P398A342-R400 HydrophobicContact CB-CG 3.8Å; Q346-R400 VanDerWaalsContact OE1-NH1 3.07Å; A396-R400 WeakPolarHBondContact O-CG 3.41Å; A396-R400 PolarHBondContact O-N 3.43Å; D397-R400 PolarHBondContact O-N 3.35Å; P398-R400 VanDerWaalsContact C-N 3.26Å; P398-R400 PolarHBondContact O-N 2.98Å
401K89.3Confident91.6Very high163 Ų16361.1 Ų61.171%0.70931%0.31SS*.Hα-helixtrans-95.5-29-175.8-74171.4-177172.10112.9D397 P398 S403D397-K401 WeakPolarHBondContact O-CB 3.22Å; D397-K401 WeakPolarHBondContact O-CD 3.49Å; D397-K401 VanDerWaalsContact O-CG 3.26Å; D397-K401 WeakPolarHBondContact O-CG 3.42Å; D397-K401 PolarHBondContact O-N 3.27Å; P398-K401 PolarHBondContact O-N 3.09Å; K401-S403 PolarHBondContact O-N 3.2Å
402V87.5Confident91.9Very high42 Ų4263.2 Ų63.226%0.25532%0.322SS..PPolyproline II helixtrans-72.2118.4172.5179.50000107.9L311 L315 P398L311-V402 HydrophobicContact CD2-CG2 3.89Å; L311-V402 HydrophobicContact CG-CG2 4.29Å; L315-V402 HydrophobicContact CD1-CB 4.12Å; L315-V402 HydrophobicContact CD1-CG1 3.6Å; P398-V402 WeakPolarHBondContact O-CG2 3.4Å; P398-V402 PolarHBondContact O-N 2.89Å
403S86.3Confident92.1Very high86 Ų8663.3 Ų63.360%0.60132%0.322SS*.PPolyproline II helixtrans-100118.6175.4-169.90000108.4K401K401-S403 PolarHBondContact O-N 3.2Å
404L93.4Very high92.3Very high21 Ų2164.9 Ų64.911%0.1133%0.326CS..PPolyproline II helixtrans-85.6128.6169.5-178.267.7000108.3L315 V316 F331 V334 D408 L409L315-L404 HydrophobicContact CB-CB 4.45Å; L315-L404 HydrophobicContact CB-CD1 4.17Å; L315-L404 HydrophobicContact CB-CD2 4.3Å; L315-L404 HydrophobicContact CD1-CB 4.49Å; L315-L404 WeakPolarHBondContact O-CD2 3.11Å; V316-L404 HydrophobicContact CB-CD1 4.41Å; V316-L404 HydrophobicContact CG2-CD1 3.6Å; F331-L404 HydrophobicContact CE2-CD2 4.41Å; F331-L404 HydrophobicContact CE2-CG 4.45Å; F331-L404 HydrophobicContact CZ-CG 4.44Å; V334-L404 HydrophobicContact CG1-CD2 3.72Å; L404-D408 HydrophobicContact CD1-CB 4.15Å; L404-L409 HydrophobicContact CD1-CD2 3.92Å; L404-L409 HydrophobicContact CD2-CD2 4.22Å; L404-L409 HydrophobicContact CG-CD2 4.34Å
405Q94.8Very high92.6Very high78 Ų7866.5 Ų66.536%0.36433%0.329SS..  trans-111.4155.2178-51.7-167.9-75.400110.6R407 D408Q405-R407 VanDerWaalsContact C-N 3.33Å; Q405-R407 HydrophobicContact CB-CG 4.02Å; Q405-R407 PolarHBondContact O-N 2.82Å; Q405-R407 VanDerWaalsContact OE1-CZ 3.24Å; Q405-R407 VanDerWaalsContact OE1-NE 3.12Å; Q405-D408 PolarHBondContact N-OD2 3.31Å; Q405-D408 WeakPolarHBondContact O-CB 3.37Å; Q405-D408 PolarHBondContact O-N 3.47Å
406K95.4Very high92.9Very high45 Ų4567.2 Ų67.220%0.19633%0.333CS..G310 helixtrans-60.2-42.1-177.5-64.7-167-179.1-170.20112F331 D408 L409 L413 E414 E417F331-K406 HydrophobicContact CD1-CD 4.5Å; F331-K406 HydrophobicContact CD1-CG 4.03Å; F331-K406 HydrophobicContact CD2-CG 3.89Å; F331-K406 HydrophobicContact CE1-CG 3.98Å; F331-K406 HydrophobicContact CE2-CG 3.83Å; F331-K406 HydrophobicContact CG-CD 4.41Å; F331-K406 HydrophobicContact CG-CG 3.99Å; F331-K406 HydrophobicContact CZ-CG 3.88Å; K406-D408 VanDerWaalsContact C-N 3.26Å; K406-D408 PolarHBondContact O-N 3.43Å; K406-L409 WeakPolarHBondContact O-CB 3.44Å; K406-L409 PolarHBondContact O-N 3.21Å; K406-L413 HydrophobicContact CB-CB 4.26Å; K406-L413 HydrophobicContact CB-CD1 4.2Å; K406-E414 HydrophobicContact CB-CG 3.84Å; K406-E417 WeakPolarHBondContact CD-OE1 3.24Å; K406-E417 WeakPolarHBondContact CE-OE1 3.4Å; K406-E417 IonicContact NZ-OE1 2.63Å; K406-E417 PolarHBondContact NZ-OE1 3.42Å; K406-E417 IonicContact NZ-OE2 2.65Å; K406-E417 PolarHBondContact NZ-OE2 3.14Å
407R95.4Very high93.2Very high153 Ų15368.8 Ų68.858%0.57734%0.34SS*.G310 helixtrans-56.8-28.5169.667-172-177.5-170.42.2115.9Q405 L409 D410 E414Q405-R407 VanDerWaalsContact C-N 3.33Å; Q405-R407 HydrophobicContact CB-CG 4.02Å; Q405-R407 PolarHBondContact O-N 2.82Å; Q405-R407 VanDerWaalsContact OE1-CZ 3.24Å; Q405-R407 VanDerWaalsContact OE1-NE 3.12Å; R407-L409 PolarHBondContact O-N 2.97Å; R407-D410 PolarHBondContact O-N 3.48Å; R407-E414 WeakPolarHBondContact CB-OE1 3.49Å; R407-E414 PolarHBondContact N-OE1 3.4Å
408D94.6Very high93.5Very high44 Ų4468.9 Ų68.924%0.23534%0.344CS..G310 helixtrans-71-10.8-178.9-55.2-23.5000112.1Q312 V316 L404 Q405 K406Q312-D408 PolarHBondContact NE2-OD2 3.05Å; V316-D408 VanDerWaalsContact CG1-O 3.31Å; V316-D408 WeakPolarHBondContact CG1-O 3.49Å; V316-D408 HydrophobicContact CG2-CB 4.01Å; V316-D408 WeakPolarHBondContact CG2-O 3.48Å; L404-D408 HydrophobicContact CD1-CB 4.15Å; Q405-D408 PolarHBondContact N-OD2 3.31Å; Q405-D408 WeakPolarHBondContact O-CB 3.37Å; Q405-D408 PolarHBondContact O-N 3.47Å; K406-D408 VanDerWaalsContact C-N 3.26Å; K406-D408 PolarHBondContact O-N 3.43Å
409L95.3Very high93.7Very high0 Ų068.8 Ų68.80%035%0.347CS..G310 helixtrans-87.4-10.7-178.1-58.2-174.5000113.5V316 R320 L323 F331 L404 K406 R407 L411 L413V316-L409 HydrophobicContact CB-CD2 4.49Å; V316-L409 HydrophobicContact CG1-CD2 4.32Å; R320-L409 VanDerWaalsContact CD-O 3.24Å; R320-L409 WeakPolarHBondContact CD-O 3.42Å; R320-L409 HydrophobicContact CG-CB 3.99Å; R320-L409 HydrophobicContact CG-CD2 4.1Å; R320-L409 VanDerWaalsContact CG-O 3.3Å; R320-L409 WeakPolarHBondContact CG-O 3.41Å; R320-L409 PolarHBondContact NH1-O 2.94Å; L323-L409 HydrophobicContact CD1-CD1 3.62Å; F331-L409 HydrophobicContact CD2-CD1 3.95Å; F331-L409 HydrophobicContact CE2-CD1 3.83Å; L404-L409 HydrophobicContact CD1-CD2 3.92Å; L404-L409 HydrophobicContact CD2-CD2 4.22Å; L404-L409 HydrophobicContact CG-CD2 4.34Å; K406-L409 WeakPolarHBondContact O-CB 3.44Å; K406-L409 PolarHBondContact O-N 3.21Å; R407-L409 PolarHBondContact O-N 2.97Å; L409-L411 VanDerWaalsContact C-N 3.28Å; L409-L411 HydrophobicContact CB-CD1 4.43Å; L409-L411 HydrophobicContact CB-CG 4.45Å; L409-L411 PolarHBondContact O-N 3.2Å; L409-L413 HydrophobicContact CD1-CD1 3.84Å
410D94.5Very high93.9Very high131 Ų13169.6 Ų69.670%0.70135%0.354SS*.SBendtrans50.245.4-176.6-62.4-37.5000113R320 R407R320-D410 PolarHBondContact NH1-O 3.18Å; R320-D410 VanDerWaalsContact NH1-O 3.15Å; R407-D410 PolarHBondContact O-N 3.48Å
411L94.3Very high94Very high11 Ų1166.6 Ų66.66%0.05835%0.349CS..SBendtrans-125.812.8177.9-66.8177000113F197 R320 L323 L409 L413F197-L411 HydrophobicContact CB-CD2 3.97Å; F197-L411 HydrophobicContact CD1-CB 4.46Å; F197-L411 HydrophobicContact CD1-CD2 3.96Å; F197-L411 HydrophobicContact CD2-CD1 3.91Å; F197-L411 HydrophobicContact CD2-CD2 4.25Å; F197-L411 HydrophobicContact CE1-CB 4.22Å; F197-L411 HydrophobicContact CE2-CD1 4.08Å; F197-L411 HydrophobicContact CG-CD1 4.3Å; F197-L411 HydrophobicContact CG-CD2 3.79Å; F197-L411 HydrophobicContact CG-CG 4.49Å; F197-L411 HydrophobicContact CZ-CB 4.3Å; R320-L411 HydrophobicContact CG-CD1 4.19Å; R320-L411 HydrophobicContact CG-CG 4.49Å; L323-L411 HydrophobicContact CB-CD1 4.32Å; L323-L411 HydrophobicContact CD1-CD1 4.48Å; L409-L411 VanDerWaalsContact C-N 3.28Å; L409-L411 HydrophobicContact CB-CD1 4.43Å; L409-L411 HydrophobicContact CB-CG 4.45Å; L409-L411 PolarHBondContact O-N 3.2Å; L411-L413 HydrophobicContact CB-CD2 3.74Å; L411-L413 HydrophobicContact CB-CG 3.96Å; L411-L413 PolarHBondContact O-N 2.8Å
412E94.8Very high94.3Very high150 Ų15063.1 Ų63.170%0.70134%0.338SS*.  trans55.219.7177.8-58-174.1-174.100115.9E414 V415 L416E412-E414 VanDerWaalsContact C-N 3.32Å; E412-E414 PolarHBondContact O-N 2.9Å; E412-E414 VanDerWaalsContact O-N 3.17Å; E412-V415 WeakPolarHBondContact O-CA 3.48Å; E412-V415 WeakPolarHBondContact O-CB 3.4Å; E412-V415 PolarHBondContact O-N 3Å; E412-L416 PolarHBondContact O-N 3.15Å; E412-L416 VanDerWaalsContact O-N 3.1Å
413L95.5Very high94.4Very high1 Ų164.9 Ų64.91%0.00535%0.349CS..Hα-helixtrans-52.2-43.6-173-51177000113.8F197 Y202 L323 K406 L409 L411 V415 L416 E417F197-L413 HydrophobicContact CE1-CD2 4.41Å; F197-L413 HydrophobicContact CE2-CD2 4.05Å; F197-L413 HydrophobicContact CZ-CD2 3.55Å; Y202-L413 HydrophobicContact CD1-CD2 4.03Å; Y202-L413 HydrophobicContact CD2-CD2 4.42Å; Y202-L413 HydrophobicContact CE1-CB 4.31Å; Y202-L413 HydrophobicContact CE1-CD2 3.82Å; Y202-L413 HydrophobicContact CE2-CD2 4.26Å; Y202-L413 HydrophobicContact CG-CD2 4.33Å; L323-L413 HydrophobicContact CD1-CD1 3.38Å; L323-L413 HydrophobicContact CD1-CD2 4.22Å; L323-L413 HydrophobicContact CD1-CG 4.44Å; K406-L413 HydrophobicContact CB-CB 4.26Å; K406-L413 HydrophobicContact CB-CD1 4.2Å; L409-L413 HydrophobicContact CD1-CD1 3.84Å; L411-L413 HydrophobicContact CB-CD2 3.74Å; L411-L413 HydrophobicContact CB-CG 3.96Å; L411-L413 PolarHBondContact O-N 2.8Å; L413-V415 PolarHBondContact O-N 3.31Å; L413-L416 PolarHBondContact O-N 3.32Å; L413-E417 WeakPolarHBondContact O-CB 3.46Å; L413-E417 WeakPolarHBondContact O-CG 3.45Å; L413-E417 PolarHBondContact O-N 2.97Å
414E95.7Very high94.6Very high90 Ų9064.3 Ų64.342%0.42134%0.337SS..Hα-helixtrans-61.2-31.1179.3-63.7175.6-168.500112K406 R407 E412 T418K406-E414 HydrophobicContact CB-CG 3.84Å; R407-E414 WeakPolarHBondContact CB-OE1 3.49Å; R407-E414 PolarHBondContact N-OE1 3.4Å; E412-E414 VanDerWaalsContact C-N 3.32Å; E412-E414 PolarHBondContact O-N 2.9Å; E412-E414 VanDerWaalsContact O-N 3.17Å; E414-T418 WeakPolarHBondContact O-CB 3.4Å; E414-T418 PolarHBondContact O-N 3.13Å; E414-T418 PolarHBondContact O-OG1 3.41Å
415V96.3Very high94.5Very high94 Ų9468.5 Ų68.557%0.5736%0.356SS*.Hα-helixtrans-76.3-45.9175.3-175.70000110.4E412 L413 E417 T418 A419E412-V415 WeakPolarHBondContact O-CA 3.48Å; E412-V415 WeakPolarHBondContact O-CB 3.4Å; E412-V415 PolarHBondContact O-N 3Å; L413-V415 PolarHBondContact O-N 3.31Å; V415-E417 PolarHBondContact O-N 3.2Å; V415-T418 PolarHBondContact O-N 3.15Å; V415-A419 WeakPolarHBondContact O-CB 3.4Å; V415-A419 PolarHBondContact O-N 3.33Å
416L95.8Very high94.3Very high41 Ų4171.2 Ų71.222%0.21537%0.368CS..Hα-helixtrans-58.9-47.1178.3-66.4173.5000111.8F197 P199 L203 E412 L413 A419 A420F197-L416 HydrophobicContact CE1-CD1 3.93Å; F197-L416 HydrophobicContact CZ-CD1 4.05Å; P199-L416 HydrophobicContact CB-CD1 3.99Å; P199-L416 HydrophobicContact CB-CD2 4.1Å; P199-L416 HydrophobicContact CG-CD1 4.4Å; L203-L416 HydrophobicContact CD2-CB 4.29Å; E412-L416 PolarHBondContact O-N 3.15Å; E412-L416 VanDerWaalsContact O-N 3.1Å; L413-L416 PolarHBondContact O-N 3.32Å; L416-A419 PolarHBondContact O-N 3.14Å; L416-A420 WeakPolarHBondContact O-CB 3.39Å; L416-A420 PolarHBondContact O-N 2.94Å
417E96.4Very high93.9Very high35 Ų3575.4 Ų75.416%0.16439%0.389CS..Hα-helixtrans-62.8-45.2178.9-71.4171-147.200112.3Y202 L206 K406 L413 V415 A420 T421Y202-E417 HydrophobicContact CE1-CG 4.24Å; Y202-E417 PolarHBondContact OH-OE1 2.95Å; L206-E417 HydrophobicContact CD2-CG 3.68Å; K406-E417 WeakPolarHBondContact CD-OE1 3.24Å; K406-E417 WeakPolarHBondContact CE-OE1 3.4Å; K406-E417 IonicContact NZ-OE1 2.63Å; K406-E417 PolarHBondContact NZ-OE1 3.42Å; K406-E417 IonicContact NZ-OE2 2.65Å; K406-E417 PolarHBondContact NZ-OE2 3.14Å; L413-E417 WeakPolarHBondContact O-CB 3.46Å; L413-E417 WeakPolarHBondContact O-CG 3.45Å; L413-E417 PolarHBondContact O-N 2.97Å; V415-E417 PolarHBondContact O-N 3.2Å; E417-A420 PolarHBondContact O-N 3.21Å; E417-T421 WeakPolarHBondContact O-CB 3.28Å; E417-T421 PolarHBondContact O-N 3.41Å; E417-T421 PolarHBondContact O-OG1 3.29Å
418T96.4Very high93.5Very high86 Ų8673.8 Ų73.853%0.52839%0.386SS..Hα-helixtrans-64.2-44.6178.2-56.80000110.4E414 V415 T421 L422E414-T418 WeakPolarHBondContact O-CB 3.4Å; E414-T418 PolarHBondContact O-N 3.13Å; E414-T418 PolarHBondContact O-OG1 3.41Å; V415-T418 PolarHBondContact O-N 3.15Å; T418-T421 PolarHBondContact O-N 3.39Å; T418-L422 HydrophobicContact CG2-CD1 4.3Å; T418-L422 VanDerWaalsContact O-CG 3.32Å; T418-L422 WeakPolarHBondContact O-CG 3.48Å; T418-L422 PolarHBondContact O-N 2.96Å; T418-L422 VanDerWaalsContact O-N 3.12Å
419A95.1Very high92.9Very high51 Ų5177 Ų7742%0.42141%0.407SS..Hα-helixtrans-63.3-44.6178.400000112.3V415 L416 L422 V423V415-A419 WeakPolarHBondContact O-CB 3.4Å; V415-A419 PolarHBondContact O-N 3.33Å; L416-A419 PolarHBondContact O-N 3.14Å; A419-L422 PolarHBondContact O-N 3.43Å; A419-V423 WeakPolarHBondContact O-CG2 3.34Å; A419-V423 PolarHBondContact O-N 3.2Å
420A93.7Very high91.9Very high20 Ų2083.9 Ų83.917%0.16544%0.439CS..Hα-helixtrans-66.9-39.717900000112.4L203 F207 L416 E417 L422 V423 E424L203-A420 HydrophobicContact CD1-CB 4.12Å; L203-A420 HydrophobicContact CD2-CB 3.9Å; F207-A420 HydrophobicContact CE2-CB 3.54Å; F207-A420 HydrophobicContact CZ-CB 3.76Å; L416-A420 WeakPolarHBondContact O-CB 3.39Å; L416-A420 PolarHBondContact O-N 2.94Å; E417-A420 PolarHBondContact O-N 3.21Å; A420-L422 VanDerWaalsContact C-N 3.34Å; A420-L422 PolarHBondContact O-N 2.97Å; A420-V423 PolarHBondContact O-N 3.3Å; A420-E424 PolarHBondContact O-N 3.47Å
421T94.4Very high90.5Very high56 Ų5683.2 Ų83.234%0.34444%0.436SS..Hα-helixtrans-61.1-42.5175.7-53.20000111.4E417 T418 V423 E424 E425E417-T421 WeakPolarHBondContact O-CB 3.28Å; E417-T421 PolarHBondContact O-N 3.41Å; E417-T421 PolarHBondContact O-OG1 3.29Å; T418-T421 PolarHBondContact O-N 3.39Å; T421-V423 PolarHBondContact O-N 3Å; T421-E424 PolarHBondContact O-N 3.28Å; T421-E425 WeakPolarHBondContact O-CG 3.2Å; T421-E425 PolarHBondContact O-N 2.96Å
422L93.8Very high88.9Confident91 Ų9185.8 Ų85.848%0.47646%0.464SS..Hα-helixtrans-62.3-40.9177-71.7168.4000112.4T418 A419 A420 E425 E426T418-L422 HydrophobicContact CG2-CD1 4.3Å; T418-L422 VanDerWaalsContact O-CG 3.32Å; T418-L422 WeakPolarHBondContact O-CG 3.48Å; T418-L422 PolarHBondContact O-N 2.96Å; T418-L422 VanDerWaalsContact O-N 3.12Å; A419-L422 PolarHBondContact O-N 3.43Å; A420-L422 VanDerWaalsContact C-N 3.34Å; A420-L422 PolarHBondContact O-N 2.97Å; L422-E425 PolarHBondContact O-N 3.45Å; L422-E426 WeakPolarHBondContact O-CG 3.32Å; L422-E426 PolarHBondContact O-N 2.92Å
423V91.3Very high87Confident78 Ų7881.4 Ų81.447%0.47346%0.46SS..Hα-helixtrans-65-43.1175.91740000111.1A419 A420 T421 E425 E426 E427A419-V423 WeakPolarHBondContact O-CG2 3.34Å; A419-V423 PolarHBondContact O-N 3.2Å; A420-V423 PolarHBondContact O-N 3.3Å; T421-V423 PolarHBondContact O-N 3Å; V423-E425 VanDerWaalsContact C-N 3.3Å; V423-E425 PolarHBondContact O-N 3.48Å; V423-E426 PolarHBondContact O-N 2.71Å; V423-E427 PolarHBondContact O-N 2.88Å
424E89.9Confident84.8Confident75 Ų7589 Ų8935%0.3549%0.493SS..Hα-helixtrans-63.9-35.8177.9-155.4-145.217900112A420 T421 K428A420-E424 PolarHBondContact O-N 3.47Å; T421-E424 PolarHBondContact O-N 3.28Å; E424-K428 VanDerWaalsContact CD-CE 3.45Å; E424-K428 WeakPolarHBondContact O-CB 3.24Å; E424-K428 VanDerWaalsContact O-CD 3.29Å; E424-K428 WeakPolarHBondContact O-CD 3.23Å; E424-K428 WeakPolarHBondContact O-CG 3.48Å; E424-K428 PolarHBondContact O-N 3.39Å; E424-K428 WeakPolarHBondContact OE1-CE 3.2Å; E424-K428 IonicContact OE1-NZ 3.51Å; E424-K428 PolarHBondContact OE1-NZ 3.47Å; E424-K428 IonicContact OE2-NZ 2.88Å; E424-K428 PolarHBondContact OE2-NZ 3.25Å
425E91.4Very high82.1Confident108 Ų10889.8 Ų89.851%0.50551%0.508SS..Hα-helixtrans-66.8-43.1171.9-73.7-178.417200112.3T421 L422 V423 K428 V429T421-E425 WeakPolarHBondContact O-CG 3.2Å; T421-E425 PolarHBondContact O-N 2.96Å; L422-E425 PolarHBondContact O-N 3.45Å; V423-E425 VanDerWaalsContact C-N 3.3Å; V423-E425 PolarHBondContact O-N 3.48Å; E425-K428 PolarHBondContact O-N 3.17Å; E425-V429 WeakPolarHBondContact O-CG2 3.42Å; E425-V429 PolarHBondContact O-N 2.98Å; E425-V429 VanDerWaalsContact O-N 3.13Å
426E90.4Very high79.6Confident135 Ų13590.9 Ų90.963%0.63152%0.517SS*.Hα-helixtrans-62.4-46.3176.4-75.6-178.9-179.900112L422 V423 K428 V429 E430L422-E426 WeakPolarHBondContact O-CG 3.32Å; L422-E426 PolarHBondContact O-N 2.92Å; V423-E426 PolarHBondContact O-N 2.71Å; E426-K428 VanDerWaalsContact C-N 3.35Å; E426-K428 PolarHBondContact O-N 3.1Å; E426-V429 PolarHBondContact O-N 2.89Å; E426-V429 VanDerWaalsContact O-N 3.14Å; E426-E430 PolarHBondContact O-N 3.31Å
427E87.6Confident77.1Confident134 Ų13494.8 Ų94.863%0.62655%0.548SS*.Hα-helixtrans-61.9-40177.6-71.6-165.9159.200112.4V423 V429 E430 D431V423-E427 PolarHBondContact O-N 2.88Å; E427-V429 VanDerWaalsContact C-N 3.3Å; E427-V429 PolarHBondContact O-N 3.17Å; E427-E430 PolarHBondContact O-N 3.43Å; E427-D431 PolarHBondContact O-N 3.22Å
428K85.8Confident74.2Confident118 Ų118104.4 Ų104.451%0.51358%0.583SS.*Hα-helixtrans-62.3-36.1174.8-74.3165.7-174171.40112.3E424 E425 E426 G432E424-K428 VanDerWaalsContact CD-CE 3.45Å; E424-K428 WeakPolarHBondContact O-CB 3.24Å; E424-K428 VanDerWaalsContact O-CD 3.29Å; E424-K428 WeakPolarHBondContact O-CD 3.23Å; E424-K428 WeakPolarHBondContact O-CG 3.48Å; E424-K428 PolarHBondContact O-N 3.39Å; E424-K428 WeakPolarHBondContact OE1-CE 3.2Å; E424-K428 IonicContact OE1-NZ 3.51Å; E424-K428 PolarHBondContact OE1-NZ 3.47Å; E424-K428 IonicContact OE2-NZ 2.88Å; E424-K428 PolarHBondContact OE2-NZ 3.25Å; E425-K428 PolarHBondContact O-N 3.17Å; E426-K428 VanDerWaalsContact C-N 3.35Å; E426-K428 PolarHBondContact O-N 3.1Å; K428-G432 PolarHBondContact O-N 2.68Å; K428-G432 VanDerWaalsContact O-N 3.14Å
429V83.3Confident71.2Confident113 Ų113106.2 Ų106.269%0.68559%0.594SS**Hα-helixtrans-71.8-40.5175.8171.80000111.4E425 E426 E427 G433E425-V429 WeakPolarHBondContact O-CG2 3.42Å; E425-V429 PolarHBondContact O-N 2.98Å; E425-V429 VanDerWaalsContact O-N 3.13Å; E426-V429 PolarHBondContact O-N 2.89Å; E426-V429 VanDerWaalsContact O-N 3.14Å; E427-V429 VanDerWaalsContact C-N 3.3Å; E427-V429 PolarHBondContact O-N 3.17Å; V429-G433 PolarHBondContact O-N 2.65Å
430E74.1Confident68.6Low144 Ų144109.7 Ų109.767%0.67361%0.612SS**Hα-helixtrans-67.7-39177.6-70.7-151.6160.100113.4E426 E427 G433E426-E430 PolarHBondContact O-N 3.31Å; E427-E430 PolarHBondContact O-N 3.43Å; E430-G433 PolarHBondContact O-N 3.18Å
431D64.7Low65.6Low117 Ų117116.5 Ų116.563%0.62665%0.645SS**Hα-helixtrans-72.7-37.5177.7-158.747.5000111.8E427 G433 K434E427-D431 PolarHBondContact O-N 3.22Å; D431-G433 PolarHBondContact O-N 2.77Å; D431-G433 VanDerWaalsContact O-N 3.09Å; D431-K434 PolarHBondContact O-N 2.75Å; D431-K434 VanDerWaalsContact O-N 3.15Å
432G60Low62.8Low64 Ų64118.2 Ų118.266%0.6666%0.659SS**Hα-helixtrans-58.8-19.7170.600000114.5K428K428-G432 PolarHBondContact O-N 2.68Å; K428-G432 VanDerWaalsContact O-N 3.14Å
433G55.3Low59.8Low59 Ų59123.1 Ų123.161%0.60868%0.679SS**THydrogen-bonded Turntrans-77.6-16.8176.900000115.6V429 E430 D431 S435V429-G433 PolarHBondContact O-N 2.65Å; E430-G433 PolarHBondContact O-N 3.18Å; D431-G433 PolarHBondContact O-N 2.77Å; D431-G433 VanDerWaalsContact O-N 3.09Å; G433-S435 PolarHBondContact O-N 2.63Å; G433-S435 VanDerWaalsContact O-N 3.15Å
434K49.7Very low57.2Low161 Ų161126.4 Ų126.470%0.769%0.693SS**  trans-91.158.8-172.3-74.1173.6-173.2136.10114.2D431D431-K434 PolarHBondContact O-N 2.75Å; D431-K434 VanDerWaalsContact O-N 3.15Å
435S38.6Very low54.6Low105 Ų105133 Ų13373%0.73471%0.714SS**  trans-75.6138.1161.8-77.10000111.4G433G433-S435 PolarHBondContact O-N 2.63Å; G433-S435 VanDerWaalsContact O-N 3.15Å
436P44.6Very low51.8Low118 Ų118135.3 Ų135.377%0.76673%0.725SS**  trans-71.3138.5-174.128.8-35.1000112.1R438P436-R438 PolarHBondContact O-N 2.87Å
437S41.9Very low49.1Very low123 Ų123137.1 Ų137.186%0.8673%0.733SS**  trans-60.3101.1178.445.90000112.5
438R37.3Very low46.5Very low237 Ų237136.7 Ų136.789%0.89475%0.746SS**  trans-87.8113162.4-74.4-173.769.5-174.60.4109.8P436P436-R438 PolarHBondContact O-N 2.87Å
439T33Very low44.1Very low123 Ų123138.1 Ų138.176%0.75576%0.759SS**  trans-49.6133.9174.1-27.50000111.5L441T439-L441 PolarHBondContact O-N 3.29Å
440P39.3Very low41.9Very low125 Ų125137.6 Ų137.681%0.81276%0.76SS**  trans-74.1119.4176.329.4-32.9000110.1
441L31.9Very low40.2Very low163 Ų163138.1 Ų138.185%0.85377%0.768SS**  trans-116.2123.8164-121.1113.5000109.4T439T439-L441 PolarHBondContact O-N 3.29Å
442S35.4Very low38.8Very low92 Ų92138.9 Ų138.964%0.64377%0.771SS**  trans-61.9141-179.252.70000113.2
443H31.1Very low37.7Very low193 Ų193141.3 Ų141.389%0.89478%0.778SS**  trans-153.7143.4131.2-105.3-74.7000110.4
444I35.5Very low37.2Very low148 Ų148143.8 Ų143.876%0.75979%0.787SS**  trans-109155.5-172.2-52.6170.8000108.9
445R34.8Very low36.8Very low213 Ų213142 Ų14280%0.80480%0.795SS**  trans99.5141168.2-60.7170.7173.9-114.22.2114.3
446E32.7Very low36.7Very low156 Ų156143.3 Ų143.373%0.72979%0.793SS**  cis-149.91645.8-128152.9-129.800111.3
447E35.4Very low36.3Very low173 Ų173143.3 Ų143.381%0.80880%0.796SS**  trans-86.3161-174.2-61.1-176.7161.300113.7
448S33.1Very low36.5Very low126 Ų126142 Ų14288%0.88179%0.787SS**  trans-159.5118.6155-75.70000110.8
449D34.3Very low36.5Very low148 Ų148140 Ų14079%0.79179%0.787SS**  trans-71.5151.3174.9-61.9-65.5000112.8
450S37.6Very low37.2Very low102 Ų102142.4 Ų142.471%0.71379%0.79SS**  171.3123107.265.60000113.2
451N38.7Very low37.1Very low155 Ų155142.3 Ų142.383%0.82979%0.792SS**  46.9151.7129.6-63.713.3000121.3
452D34.3Very low37.4Very low132 Ų132143.5 Ų143.571%0.70679%0.794SS**  cis-177.9144.7-11.3168.431000106.6
453S37.1Very low37.3Very low115 Ų115145.7 Ų145.780%0.80480%0.798SS**  trans169.4114.6141.7-78.80000111.2
454S44.4Very low37.5Very low112 Ų112142.2 Ų142.278%0.78380%0.796SS**  trans-82.7165.7166.753.80000112.2
455S41.7Very low37.7Very low124 Ų124143 Ų14387%0.86780%0.796SS**  trans-149.9128.6133.7-153.50000110.4
456D37.6Very low37.9Very low131 Ų131137.5 Ų137.570%0.70180%0.796SS**  trans-97.9161.6175.5176.428.7000109.8
457S35.5Very low38.3Very low118 Ų118139.3 Ų139.383%0.82581%0.805SS**  trans-178.8108.7147.8-104.80000110.5
458S45.2Very low38.1Very low96 Ų96134.3 Ų134.367%0.67180%0.799SS**  trans-103.6146.2163.951.80000110.8
459E38.3Very low38Very low194 Ų194137.8 Ų137.891%0.90780%0.799SS**  trans-140.2126162.4-71-168.1172.100110.4
460E46.7Very low37.7Very low174 Ų174137.7 Ų137.781%0.81380%0.798SS**  trans-92.8157.6172.8-63.4-80.3139.800110
461S37Very low37.3Very low123 Ų123137.8 Ų137.886%0.8680%0.798SS**  trans-156.5146.5152-25.70000112.5
462E38.8Very low37Very low188 Ų188134.7 Ų134.788%0.87979%0.794SS**  trans-102.3151.8-166.5-56.8171.2147.400113.7
463D32.7Very low36.6Very low139 Ų139133.8 Ų133.874%0.74379%0.789SS**  trans42.2138.2137.6-159.921.7000123
464S35.4Very low36.5Very low120 Ų120137.5 Ų137.584%0.83979%0.785SS**  trans-172.1106.2144.6-81.40000112.6
465E40.2Very low35.7Very low165 Ų165137.7 Ų137.777%0.77178%0.782SS**  trans-61.1155.6163.1-81.3-75.2174.400114.4
466A38.3Very low35.3Very low97 Ų97140.8 Ų140.880%0.80278%0.783SS**  trans-156.4103.216400000113.9
467E41.8Very low34.8Very low193 Ų193138.1 Ų138.190%0.90279%0.786SS**  trans-87.4149.1170.2-78.3-149.6142.700114.3
468G31.3Very low34.4Very low68 Ų68136.6 Ų136.670%0.70179%0.789SS**  95.2108.9123.100000120.7
469K30.3Very low33.6Very low199 Ų199135.7 Ų135.787%0.86579%0.794SS**  trans-179.8124132-99.4161176.7169.80110.5
470D27.8Very low33.2Very low146 Ų146135.7 Ų135.778%0.78179%0.794SS**  64.3139.684.3-105.3-11.3000113.8
471C30.7Very low32.3Very low105 Ų105139.2 Ų139.271%0.70980%0.8SS**  cis-168151.54.5-151.30000111.1
472A31.1Very low31.9Very low89 Ų89137.7 Ų137.774%0.73680%0.795SS**  trans56.2166154.700000119.9
473D27.6Very low31.2Very low114 Ų114138.3 Ų138.361%0.6180%0.798SS**  cis-162161.111.3-154.8-15.4000113.6
474R33.1Very low30.9Very low193 Ų193136.4 Ų136.473%0.72880%0.802SS**  trans77.5119.9139.2-113.7170.3-93.9-157.1-2126.5
475T28.8Very low30.8Very low115 Ų115137.5 Ų137.571%0.70680%0.797SS**  trans60.5149.4135.843.40000120.6
476E32.4Very low30.5Very low190 Ų190135 Ų13589%0.88880%0.795SS**  cis-157.9164.816-120.9162.7-154.300107.3
477G27.7Very low29.9Very low74 Ų74136.8 Ų136.876%0.76379%0.79SS**  cis172.6164-1.500000111.8
478G27.1Very low29.3Very low86 Ų86135.9 Ų135.989%0.88779%0.785SS**  trans77.7133.3171.300000117
479G27.7Very low29.4Very low77 Ų77138 Ų13879%0.79479%0.786SS**  cis103.1131.816.800000110.7
480E30.5Very low29.4Very low194 Ų194136.8 Ų136.891%0.90778%0.784SS**  cis-147.5164.4-1.9-72.3176.889.400107.1
481R27.2Very low29.8Very low248 Ų248135.4 Ų135.494%0.93678%0.783SS**  -175.8147.379.6-160.7176.6-170.1-163.90.5110.7
482A29.2Very low29.5Very low92 Ų92134.8 Ų134.876%0.7679%0.785SS**  trans-115.6163.6-176.400000113.1
483E24.9Very low29.3Very low201 Ų201134.9 Ų134.994%0.93979%0.786SS**  trans-154.1165.9140.1-121.8173.2-164.300111.2
484A26.9Very low29.7Very low99 Ų99135.2 Ų135.282%0.81879%0.794SS**  trans-116175.8-138.500000118.5
485I33.2Very low29.8Very low142 Ų142131.8 Ų131.873%0.72880%0.797SS**  trans-85.9165.7-173.5-21.9177.5000112.7I487I485-I487 HydrophobicContact CG2-CG1 4.47Å
486P32.4Very low29.9Very low113 Ų113133.4 Ų133.473%0.73480%0.8SS**  -139140.89417.15.9000114.5
487I27.1Very low29.5Very low135 Ų135133.2 Ų133.269%0.69280%0.799SS**  65.7122.373.3-62.4166.1000111.3I485I485-I487 HydrophobicContact CG2-CG1 4.47Å
488H28.9Very low29.4Very low174 Ų174138 Ų13881%0.80680%0.801SS**  cis-165.9-162.25.3-130.41.4000108.9
489P32.6Very low29.3Very low112 Ų112143 Ų14373%0.72780%0.801SS**  cis-134.6171.1-11.433-10.6000117.5
490Q31.2Very low29.1Very low173 Ų173144.9 Ų144.981%0.80880%0.802SS**  trans-98.3161.1158-84.6-118.7-10.500109
491P35.2Very low28.8Very low117 Ų117142 Ų14276%0.7680%0.802SS**  -163.8168.477.243.5-21.3000120.8
492A24Very low28.7Very low93 Ų93134.7 Ų134.777%0.76980%0.795SS**  trans66.3139.5139.300000124.1
493A26.8Very low28.6Very low91 Ų91135.7 Ų135.775%0.75279%0.791SS**  trans-93.3179.4153.800000109.4
494P37.7Very low28.5Very low120 Ų120134.7 Ų134.778%0.77979%0.792SS**  cis-124.2-147.910.339.4-16.3000110.5
495P33.8Very low28.4Very low121 Ų121135.7 Ų135.779%0.78679%0.787SS**  cis-137.1-1562.145.2-24.1000116.2
496I31.1Very low28.1Very low150 Ų150134 Ų13477%0.76979%0.788SS**  trans-92.1148-175.4-62.5159.8000112
497H24.9Very low27.8Very low186 Ų186134.5 Ų134.586%0.86179%0.794SS**  trans-157.1150.4144.4-114.9-80.3000113.1
498Q25.4Very low27.8Very low173 Ų173136.3 Ų136.381%0.80880%0.8SS**  trans-86.3153.6179.5-61.6162.5-78.800113
499E24.5Very low27.6Very low192 Ų192140 Ų14090%0.89781%0.807SS**  trans-164111.9134.1-107.1167.8-162.200107.8
500S24.1Very low27.4Very low116 Ų116143.6 Ų143.681%0.81181%0.811SS**  78.3106.884.9-166.50000113.3
501C23.9Very low27.2Very low134 Ų134141.2 Ų141.291%0.90581%0.811SS**  trans-113.3132.8169.2-159.70000109.1
502A25.9Very low26.7Very low95 Ų95141 Ų14179%0.78581%0.812SS**  trans-85.2154.2-161.700000114.8
503V25.3Very low27.1Very low113 Ų113143.3 Ų143.369%0.68582%0.816SS**  trans-72.1140.6-177.5171.80000112.9T505V503-T505 HydrophobicContact CG1-CG2 3.85Å
504L24.7Very low27.1Very low180 Ų180146.5 Ų146.594%0.94282%0.82SS**  trans-131.1104.3144.3-77.1179.8000110.6
505T24.3Very low26.7Very low119 Ų119146.2 Ų146.273%0.7382%0.818SS**  trans-86.9165.3156.158.30000107.8V503V503-T505 HydrophobicContact CG1-CG2 3.85Å
506S26.5Very low26.7Very low106 Ų106146 Ų14674%0.74182%0.819SS**  cis-161.4158.615.2460000109.9
507S25.7Very low26.7Very low124 Ų124143 Ų14387%0.86782%0.818SS**  trans-161.3114.5135.1-133.10000110.8
508E28.1Very low27.2Very low173 Ų173140.5 Ų140.581%0.80882%0.815SS**  trans-84143.2176.8-63.9174.792.100111.7
509R23.6Very low27.8Very low251 Ų251136.5 Ų136.595%0.94781%0.806SS**  trans-135.6135.3141.7-77.7-165.1174.5172.2-0.2110.5
510K28.1Very low28.5Very low189 Ų189130.1 Ų130.182%0.82278%0.782SS**PPolyproline II helixtrans-75163.8-175.8-102.5-176.5177.1176.90113
511P28.6Very low29.5Very low123 Ų123129.3 Ų129.380%0.79977%0.774SS**PPolyproline II helixtrans-80.9150.2-160.132.6-37.3000114.1
512S24.2Very low30.5Very low113 Ų113132.8 Ų132.879%0.7977%0.768SS**PPolyproline II helixtrans-100.9121.1164.1540000110.4
513T31.1Very low31.9Very low140 Ų140134.4 Ų134.486%0.85976%0.76SS**PPolyproline II helixtrans-61.2134.2177.9-22.10000112.2
514L27.6Very low33.1Very low158 Ų158133.8 Ų133.883%0.82775%0.752SS**  trans-134.4153.1161.2-82177.3000109.8
515P28.8Very low34.9Very low114 Ų114130.9 Ų130.974%0.7474%0.736SS**  trans-83.2145.8-149.930.8-35.9000114.4A517P515-A517 PolarHBondContact O-N 2.88Å
516S34.9Very low36.6Very low116 Ų116131 Ų13181%0.81173%0.728SS**  trans-73116.9165.8-172.80000109.8
517A30.2Very low38.2Very low89 Ų89130.4 Ų130.474%0.73671%0.714SS**  trans-139.182.8166.400000107.9P515 S519P515-A517 PolarHBondContact O-N 2.88Å; A517-S519 VanDerWaalsContact C-N 3.33Å; A517-S519 PolarHBondContact O-N 3.35Å
518V35.1Very low39.6Very low132 Ų132129.3 Ų129.380%0.870%0.697SS**  trans-74.388.6172.5-178.70000108.1C520V518-C520 PolarHBondContact O-N 3.17Å
519S37.7Very low41.1Very low89 Ų89122.8 Ų122.862%0.62268%0.677SS**  trans-77.9112.9167.355.40000109A517A517-S519 VanDerWaalsContact C-N 3.33Å; A517-S519 PolarHBondContact O-N 3.35Å
520C40.4Very low42.5Very low59 Ų59116.3 Ų116.340%0.39966%0.657SS.*  trans-65.1131.9-179-174.40000110.5V518 R522 Q523V518-C520 PolarHBondContact O-N 3.17Å; C520-R522 PolarHBondContact O-N 2.73Å; C520-R522 VanDerWaalsContact O-N 3.07Å; C520-Q523 PolarHBondContact O-N 3.21Å
521P44.6Very low43.4Very low98 Ų98114.7 Ų114.764%0.63665%0.646SS**Hα-helixtrans-53.9-32.5-179.1-28.735.4000114.2Q523 L524 I525P521-Q523 VanDerWaalsContact C-N 3.31Å; P521-Q523 PolarHBondContact O-N 3.45Å; P521-L524 PolarHBondContact O-N 3.1Å; P521-I525 WeakPolarHBondContact O-CG1 3.44Å; P521-I525 PolarHBondContact O-N 3.22Å
522R45.9Very low44.3Very low208 Ų208113.2 Ų113.279%0.78564%0.635SS**Hα-helixtrans-59.9-34.9176.2-79.9-175.3165.1167.8-2.8113.7C520 Q526C520-R522 PolarHBondContact O-N 2.73Å; C520-R522 VanDerWaalsContact O-N 3.07Å; R522-Q526 WeakPolarHBondContact O-CB 3.32Å; R522-Q526 PolarHBondContact O-N 3.14Å
523Q54.2Low45.3Very low129 Ų129115.5 Ų115.560%0.60363%0.633SS**Hα-helixtrans-71.3-37.8177.5-74.2-179.8-33.200111.6C520 P521 Q526 E527C520-Q523 PolarHBondContact O-N 3.21Å; P521-Q523 VanDerWaalsContact C-N 3.31Å; P521-Q523 PolarHBondContact O-N 3.45Å; Q523-Q526 PolarHBondContact O-N 2.93Å; Q523-E527 WeakPolarHBondContact O-CB 3.39Å; Q523-E527 PolarHBondContact O-N 3.41Å
524L50.4Low45.9Very low100 Ų100116.9 Ų116.952%0.52463%0.63SS.*Hα-helixtrans-67.5-40177.5-146.584.3000111.5P521 L528P521-L524 PolarHBondContact O-N 3.1Å; L524-L528 HydrophobicContact CD2-CD1 4.5Å; L524-L528 HydrophobicContact CG-CD1 4.45Å; L524-L528 VanDerWaalsContact O-CB 3.29Å; L524-L528 WeakPolarHBondContact O-CB 3.42Å; L524-L528 WeakPolarHBondContact O-CD1 3.42Å; L524-L528 WeakPolarHBondContact O-CG 3.48Å; L524-L528 PolarHBondContact O-N 3.11Å
525I62.7Low46.5Very low118 Ų118112.3 Ų112.361%0.60562%0.621SS**Hα-helixtrans-65.5-40.9176.1-67.2163.7000110.9P521 L528 G529P521-I525 WeakPolarHBondContact O-CG1 3.44Å; P521-I525 PolarHBondContact O-N 3.22Å; I525-L528 PolarHBondContact O-N 3.04Å; I525-G529 PolarHBondContact O-N 3.16Å
526Q59.6Low46.9Very low122 Ų122113.3 Ų113.357%0.5762%0.619SS**Hα-helixtrans-68.3-43.2177.3-170.3168.4300112.2R522 Q523 L528 G529 E530R522-Q526 WeakPolarHBondContact O-CB 3.32Å; R522-Q526 PolarHBondContact O-N 3.14Å; Q523-Q526 PolarHBondContact O-N 2.93Å; Q526-L528 VanDerWaalsContact C-N 3.33Å; Q526-L528 PolarHBondContact O-N 3.34Å; Q526-G529 PolarHBondContact O-N 2.75Å; Q526-E530 PolarHBondContact O-N 3.33Å
527E60.5Low46.6Very low93 Ų93119 Ų11944%0.43562%0.623SS.*Hα-helixtrans-67.4-32.3176.5-164.8-174.8168.300112.3Q523 R531Q523-E527 WeakPolarHBondContact O-CB 3.39Å; Q523-E527 PolarHBondContact O-N 3.41Å; E527-R531 WeakPolarHBondContact O-CB 3.46Å; E527-R531 WeakPolarHBondContact O-CD 3.46Å; E527-R531 WeakPolarHBondContact O-CG 3.26Å; E527-R531 PolarHBondContact O-N 3.28Å; E527-R531 IonicContact OE1-CZ 2.64Å; E527-R531 IonicContact OE1-NE 3.98Å; E527-R531 PolarHBondContact OE1-NE 3.27Å; E527-R531 IonicContact OE1-NH2 2.58Å; E527-R531 PolarHBondContact OE1-NH2 3.26Å
528L56Low46.8Very low101 Ų101122.4 Ų122.453%0.52963%0.627SS.*Hα-helixtrans-71.6-35.1171.2-74.4167000112.2L524 I525 Q526 V532L524-L528 HydrophobicContact CD2-CD1 4.5Å; L524-L528 HydrophobicContact CG-CD1 4.45Å; L524-L528 VanDerWaalsContact O-CB 3.29Å; L524-L528 WeakPolarHBondContact O-CB 3.42Å; L524-L528 WeakPolarHBondContact O-CD1 3.42Å; L524-L528 WeakPolarHBondContact O-CG 3.48Å; L524-L528 PolarHBondContact O-N 3.11Å; I525-L528 PolarHBondContact O-N 3.04Å; Q526-L528 VanDerWaalsContact C-N 3.33Å; Q526-L528 PolarHBondContact O-N 3.34Å; L528-V532 WeakPolarHBondContact O-CG2 3.32Å; L528-V532 PolarHBondContact O-N 3.36Å; L528-V532 VanDerWaalsContact O-N 3.12Å
529G59.1Low46.5Very low37 Ų37120.5 Ų120.538%0.38162%0.62SS.*Hα-helixtrans-62.1-51.3174.100000112.6I525 Q526 R531 V532 E533I525-G529 PolarHBondContact O-N 3.16Å; Q526-G529 PolarHBondContact O-N 2.75Å; G529-R531 VanDerWaalsContact C-N 3.3Å; G529-R531 PolarHBondContact O-N 3.25Å; G529-V532 PolarHBondContact O-N 3.04Å; G529-E533 PolarHBondContact O-N 3.11Å; G529-E533 VanDerWaalsContact O-N 3.14Å
530E52.2Low46.1Very low114 Ų114121 Ų12153%0.53363%0.629SS.*Hα-helixtrans-60.2-39.2177.9-70.4177.9172.900111.7Q526 V532 E533 E534Q526-E530 PolarHBondContact O-N 3.33Å; E530-V532 VanDerWaalsContact C-N 3.31Å; E530-V532 PolarHBondContact O-N 3Å; E530-E533 PolarHBondContact O-N 3.25Å; E530-E534 PolarHBondContact O-N 3.2Å
531R47.2Very low45.5Very low156 Ų156126.8 Ų126.859%0.58965%0.65SS**Hα-helixtrans-69.5-22.4175.9-71.7172.8-174.7-133.79.8114.3E527 G529 G535E527-R531 WeakPolarHBondContact O-CB 3.46Å; E527-R531 WeakPolarHBondContact O-CD 3.46Å; E527-R531 WeakPolarHBondContact O-CG 3.26Å; E527-R531 PolarHBondContact O-N 3.28Å; E527-R531 IonicContact OE1-CZ 2.64Å; E527-R531 IonicContact OE1-NE 3.98Å; E527-R531 PolarHBondContact OE1-NE 3.27Å; E527-R531 IonicContact OE1-NH2 2.58Å; E527-R531 PolarHBondContact OE1-NH2 3.26Å; G529-R531 VanDerWaalsContact C-N 3.3Å; G529-R531 PolarHBondContact O-N 3.25Å; R531-G535 PolarHBondContact O-N 3.03Å
532V47.4Very low44.9Very low91 Ų91128 Ų12855%0.55266%0.658SS**Hα-helixtrans-80-36.7173.81680000110.9L528 G529 E530 G535 L536L528-V532 WeakPolarHBondContact O-CG2 3.32Å; L528-V532 PolarHBondContact O-N 3.36Å; L528-V532 VanDerWaalsContact O-N 3.12Å; G529-V532 PolarHBondContact O-N 3.04Å; E530-V532 VanDerWaalsContact C-N 3.31Å; E530-V532 PolarHBondContact O-N 3Å; V532-G535 PolarHBondContact O-N 3.35Å; V532-L536 HydrophobicContact CG1-CD1 4.32Å
533E45.1Very low44Very low161 Ų161130.2 Ų130.275%0.75267%0.667SS**Hα-helixtrans-66-39.8171.9-72.3-166.8131.200112.3G529 E530 G535 L536G529-E533 PolarHBondContact O-N 3.11Å; G529-E533 VanDerWaalsContact O-N 3.14Å; E530-E533 PolarHBondContact O-N 3.25Å; E533-G535 PolarHBondContact O-N 3.02Å; E533-L536 PolarHBondContact O-N 3.48Å
534E44.6Very low42.8Very low170 Ų170127.9 Ų127.979%0.79468%0.677SS**THydrogen-bonded Turntrans-66.8-20.6173.5-70.7-168.1151.600113.6E530E530-E534 PolarHBondContact O-N 3.2Å
535G39.9Very low41.6Very low62 Ų62128 Ų12864%0.63969%0.686SS**THydrogen-bonded Turntrans-81.7-13.7178.800000115.3R531 V532 E533R531-G535 PolarHBondContact O-N 3.03Å; V532-G535 PolarHBondContact O-N 3.35Å; E533-G535 PolarHBondContact O-N 3.02Å
536L37.8Very low39.9Very low134 Ų134133.8 Ų133.870%0.70270%0.7SS**  trans-107.951.1-169.5-79.9167.4000113.9V532 E533V532-L536 HydrophobicContact CG1-CD1 4.32Å; E533-L536 PolarHBondContact O-N 3.48Å
537W28.8Very low38.4Very low236 Ų236135.6 Ų135.689%0.89471%0.708SS**  trans-11677.6169.9-152.9-63000113.2
538I32.6Very low36.8Very low160 Ų160135.3 Ų135.382%0.82172%0.716SS**  trans-86.6116.2168.2-61.3-179.6000109.5A540I538-A540 PolarHBondContact O-N 2.92Å
539S28.7Very low35.4Very low93 Ų93141.8 Ų141.865%0.6573%0.734SS**  trans-68.2117.5-179.3-177.70000112.5
540A29.7Very low33.8Very low98 Ų98144.2 Ų144.281%0.8175%0.745SS**  trans-90.3112.9169.300000110.9I538I538-A540 PolarHBondContact O-N 2.92Å
541Q27.9Very low32.7Very low181 Ų181144.1 Ų144.185%0.84676%0.757SS**PPolyproline II helixtrans-91.9136.6165.7-78.9-160.9-10.600111.4
542P31.8Very low31.7Very low125 Ų125141.2 Ų141.281%0.81277%0.767SS**PPolyproline II helixtrans-84135.7-178.232.6-33.9000112.4
543R28.3Very low30.8Very low254 Ų254146.6 Ų146.696%0.95879%0.785SS**PPolyproline II helixtrans-88.4135.9158.7-80.2-168.8174.6-154.80.7110
544G28.3Very low29.9Very low79 Ų79142.6 Ų142.681%0.81479%0.787SS**PPolyproline II helixtrans-77.3152.1-163.800000115.7
545S25.4Very low29.1Very low102 Ų102143.8 Ų143.871%0.71379%0.793SS**PPolyproline II helixtrans-77.3135.1165.41730000111.5
546R26.5Very low28.5Very low240 Ų240145.2 Ų145.291%0.90680%0.799SS**  trans-138.8109.8145-81.2-166.6173.7179.7-1.4110.2
547H27.5Very low28.1Very low160 Ų160146.1 Ų146.174%0.74180%0.799SS**  trans3.6145.5134.2-61.8-56.2000117.9
548S27.6Very low28Very low87 Ų87145.1 Ų145.161%0.60880%0.796SS**  cis-178.7159.22.2-103.10000110
549R26Very low27.7Very low237 Ų237144 Ų14489%0.89479%0.791SS**  trans64.7160.4156-73.1173179.6175.6-1.9117.6
550S27.3Very low27.4Very low89 Ų89144.4 Ų144.462%0.62279%0.793SS**  cis-175.8137.3-35.6530000108.5
551S27.3Very low27.2Very low112 Ų112145.5 Ų145.578%0.78379%0.794SS**  trans65109.9150-49.60000120.9
552A27.2Very low27.1Very low95 Ų95145.6 Ų145.679%0.78580%0.795SS**  85.6150.2121.900000122.4
553Q28.4Very low27.5Very low203 Ų203144.9 Ų144.995%0.94979%0.79SS**  trans76.5141.5165.9-61-177.2-26.200118.7
554G26.2Very low27.3Very low77 Ų77136.9 Ų136.979%0.79478%0.778SS**  trans136.688.9155.100000115.3
555E28.1Very low27.2Very low195 Ų195139.9 Ų139.991%0.91178%0.781SS**  trans-59.8176.1173.7-57.2169.3131.100115.5
556A27.9Very low27.3Very low92 Ų92139.2 Ų139.276%0.7678%0.782SS**  trans90.4100145.800000120.6
557E27.8Very low27.3Very low153 Ų153135.1 Ų135.172%0.71578%0.784SS**  63.9136.7110.9-115-173.1-139.900123
558R28Very low27.2Very low216 Ų216131.6 Ų131.682%0.81578%0.783SS**  trans79.9147.6156.2-59.6168.6-161.1-147.9-3.7119
559D25.4Very low27.1Very low137 Ų137134.4 Ų134.473%0.73380%0.796SS**  cis175.1154.9-19.2-166.4-4.7000104.1
560C22.9Very low27.1Very low101 Ų101127 Ų12768%0.68279%0.785SS**  trans45.2119.9161.2-75.50000120.9
561S26.1Very low27.1Very low120 Ų120129.2 Ų129.284%0.83980%0.796SS**  172.6138.198.5-71.20000113.5
562Q25Very low27Very low183 Ų183131.5 Ų131.586%0.85580%0.799SS**  trans-79.2-169.4159-57-176.2-28.100109.5
563P40.8Very low27Very low110 Ų110133.3 Ų133.371%0.71480%0.8SS**  cis-142.3-172.2-0.143.1-23.6000116.5
564A24.5Very low26.9Very low86 Ų86128.3 Ų128.371%0.71179%0.794SS**  trans70.2153.7157.400000117.1
565T25.4Very low27Very low142 Ų142136.7 Ų136.787%0.87180%0.801SS**  cis-151.115622-32.90000110.9
566A27Very low27.1Very low88 Ų88133.9 Ų133.973%0.72780%0.798SS**  trans-82.8154.8175.100000113.4
567T26.2Very low27.3Very low154 Ų154133.7 Ų133.795%0.94580%0.804SS**  trans-161.7155.2138.115.60000111.1
568A26.4Very low27.2Very low87 Ų87131 Ų13172%0.71981%0.809SS**  trans-111.9-167.2-165.200000113.9
569T25.8Very low27.2Very low146 Ų146130.4 Ų130.490%0.89681%0.812SS**  trans85.7141.3177.672.40000116
570A25.6Very low27.2Very low80 Ų80131.9 Ų131.966%0.66182%0.819SS**  cis-165.9154.6-2300000109.1
571T26.5Very low27.3Very low137 Ų137135.7 Ų135.784%0.8483%0.827SS**  trans43.7115.3157.155.90000120
572D25.7Very low27.4Very low159 Ų159138 Ų13885%0.8583%0.829SS**  -158.2159.2105.9-142.2-22.9000112.4
573T27.1Very low27.5Very low133 Ų133133.9 Ų133.982%0.81682%0.821SS**  trans-98.6128.4-17422.50000113.4
574A26Very low27.1Very low98 Ų98134.9 Ų134.981%0.8183%0.827SS**  trans-153.7123.8157.200000111.7
575R28.9Very low27.3Very low253 Ų253141.8 Ų141.896%0.95583%0.834SS**  trans-80.4126.7172.2-79.7174.2162.8173.4-7.7110.3
576T30.2Very low27.7Very low137 Ų137146.6 Ų146.684%0.8484%0.837SS**  trans-149.1133.1154.814.70000108.2
577G31.3Very low28.2Very low87 Ų87148.7 Ų148.790%0.89784%0.836SS**PPolyproline II helixtrans-67.1136.6-169.800000113.4
578A27.2Very low28.7Very low97 Ų97147 Ų14780%0.80283%0.828SS**PPolyproline II helixtrans-94.9123169.700000109.5
579F26.5Very low29Very low203 Ų203147.7 Ų147.789%0.8982%0.818SS**PPolyproline II helixtrans-54.6141.7160.5-104.8-117.1000109.4E581F579-E581 PolarHBondContact O-N 3.4Å; F579-E581 VanDerWaalsContact O-N 3.15Å
580L26.9Very low29.4Very low168 Ų168148 Ų14888%0.8881%0.814SS**  trans-69.9107.6170.9-74.6167000109.7L582L580-L582 PolarHBondContact O-N 3.49Å; L580-L582 VanDerWaalsContact O-N 3.15Å
581E24.5Very low30.1Very low181 Ų181148.6 Ų148.685%0.84681%0.805SS**  trans-69.4103.8165.6-75.8-172.8132.400109.5F579 S583F579-E581 PolarHBondContact O-N 3.4Å; F579-E581 VanDerWaalsContact O-N 3.15Å; E581-S583 PolarHBondContact O-N 3.12Å
582L27.3Very low30.5Very low170 Ų170146.7 Ų146.789%0.8979%0.793SS**  trans-63.399.7169.5-75.7168.4000109.8L580 P584L580-L582 PolarHBondContact O-N 3.49Å; L580-L582 VanDerWaalsContact O-N 3.15Å; L582-P584 WeakPolarHBondContact O-CD 3.06Å
583S27.3Very low30.8Very low96 Ų96147.1 Ų147.167%0.67179%0.787SS**  trans-78.2116.4174.4-68.10000110.2E581 R585E581-S583 PolarHBondContact O-N 3.12Å; S583-R585 PolarHBondContact O-N 3.32Å
584P32.6Very low31Very low130 Ų130146.1 Ų146.184%0.84478%0.781SS**  trans-80.180.5-177.732.8-35.1000111.2L582 R586L582-P584 WeakPolarHBondContact O-CD 3.06Å; P584-R586 PolarHBondContact O-N 2.7Å
585R28.3Very low31.2Very low231 Ų231149.1 Ų149.187%0.87278%0.783SS**  trans-9086.4164-76.1-168.1174.3-169-0.1110.1S583 N587S583-R585 PolarHBondContact O-N 3.32Å; R585-N587 PolarHBondContact O-N 3.04Å
586R35Very low31.4Very low244 Ų244143.4 Ų143.492%0.92178%0.777SS**  trans-63.9110.3160.2-88.2-177.1166179.4-4.8108.7P584P584-R586 PolarHBondContact O-N 2.7Å
587N37.3Very low31.5Very low132 Ų132140 Ų14071%0.70677%0.769SS**  trans-91.4134.2166.4-104-1.3000109.8R585 L589R585-N587 PolarHBondContact O-N 3.04Å; N587-L589 PolarHBondContact O-N 3.38Å
588P35.8Very low31.5Very low119 Ų119143.2 Ų143.277%0.77377%0.766SS**  trans-94.687-174.635.8-33.2000112.1L590P588-L590 PolarHBondContact O-N 2.96Å
589L32.5Very low31.8Very low100 Ų100146 Ų14652%0.52477%0.767SS.*  trans-75.2117.4166.1-71.3177.1000109.8N587 I591N587-L589 PolarHBondContact O-N 3.38Å; L589-I591 PolarHBondContact O-N 3.01Å
590L35.2Very low32.2Very low154 Ų154144.1 Ų144.181%0.80677%0.765SS**  trans-91.898.6-172.5-151.6147.2000110P588 V592P588-L590 PolarHBondContact O-N 2.96Å; L590-V592 PolarHBondContact O-N 2.84Å; L590-V592 VanDerWaalsContact O-N 3.07Å
591I40Very low32.5Very low92 Ų92143.5 Ų143.547%0.47276%0.763SS.*  trans-66.8106.9-179.9-57.8176.4000109.5T26 L589 K593T26-I591 HydrophobicContact CG2-CD1 3.89Å; L589-I591 PolarHBondContact O-N 3.01Å; I591-K593 PolarHBondContact O-N 3.39Å
592V35.3Very low33Very low96 Ų96144.2 Ų144.258%0.58277%0.766SS**  trans-80.6112.4176.7-179.70000109.4L590 T594L590-V592 PolarHBondContact O-N 2.84Å; L590-V592 VanDerWaalsContact O-N 3.07Å; V592-T594 PolarHBondContact O-N 3.35Å
593K31.3Very low33.3Very low168 Ų168143.4 Ų143.473%0.7376%0.763SS**  trans-67.9126.9163.7-67.5176.9179.91730108.7I591 D595I591-K593 PolarHBondContact O-N 3.39Å; K593-D595 PolarHBondContact O-N 2.94Å
594T31.5Very low33.7Very low112 Ų112146.8 Ų146.869%0.68777%0.773SS**  trans-87.5101.7170.949.20000109.5V592 T596V592-T594 PolarHBondContact O-N 3.35Å; T594-T596 PolarHBondContact O-N 3.03Å
595D30.8Very low33.8Very low161 Ų161148.2 Ų148.286%0.86177%0.772SS**  trans-66.2124.8159.3-79.6-32.9000108.3K593 G597K593-D595 PolarHBondContact O-N 2.94Å; D595-G597 PolarHBondContact O-N 3.27Å
596T33.5Very low34.3Very low134 Ų134144.6 Ų144.682%0.82277%0.77SS**  trans-80.992.1173.549.80000109.4T594T594-T596 PolarHBondContact O-N 3.03Å
597G30.5Very low34.4Very low65 Ų65142.3 Ų142.367%0.6777%0.77SS**  trans-92.4102.5164.100000110.3D595 D599D595-G597 PolarHBondContact O-N 3.27Å; G597-D599 PolarHBondContact O-N 3.19Å
598D32.1Very low34.8Very low155 Ų155143.4 Ų143.483%0.82978%0.776SS**  trans-89.685.9164.2-79.4-29.2000108.4
599D32.7Very low35.2Very low155 Ų155144.5 Ų144.583%0.82978%0.775SS**  trans-94.3113.2159.2-75-43.4000107.5G597G597-D599 PolarHBondContact O-N 3.19Å
600L35.4Very low35.5Very low164 Ų164153.8 Ų153.886%0.85981%0.805SS**  trans-115.9121164.9-77.2175.7000107.8
601D33.6Very low35.6Very low154 Ų154153.8 Ų153.882%0.82481%0.805SS**  trans-64.4129.2-179.2-51.2-76000111.2
602E35.2Very low35.3Very low197 Ų197157.1 Ų157.192%0.92182%0.823SS**  trans-109.4116.8158.5-78-167.4149.900108.5
603D32.9Very low35.3Very low153 Ų153160.4 Ų160.482%0.81884%0.836SS**  trans-67.7143.2-178.6-75.2-59.8000112.9I605D603-I605 PolarHBondContact O-N 3.39Å
604D35.8Very low35.6Very low166 Ų166160 Ų16089%0.88884%0.842SS**  trans-59.8128168.9-73.3-54.3000111.8
605I36.1Very low35.8Very low160 Ų160163 Ų16382%0.82185%0.852SS**  trans-132.7113.7158.8-62-177.2000109D603D603-I605 PolarHBondContact O-N 3.39Å
606D38.5Very low36.2Very low155 Ų155163.1 Ų163.183%0.82985%0.852SS**  trans-62.8139.7167.5-60.5-67.2000111.3
607E36.6Very low36.3Very low196 Ų196165.2 Ų165.292%0.91685%0.854SS**  trans-158.4126138.4-118.7171-163.400112.2
608D45.4Very low36.8Very low156 Ų156172.9 Ų172.983%0.83487%0.868SS**  trans-75.7175.2168.8-84.4-54.7000111.8
609D43.5Very low37.2Very low142 Ų142174.4 Ų174.476%0.75987%0.871SS**  trans66.7100166.3-74.4-22.3000118.6
610Y40.6Very low37.6Very low295 Ų295176.2 Ų176.2100%1.15788%0.875SS**  -175.8096.8-109.6-74.6000115.4

Retrieved 610 of 610 residues in 2851.4 ms (Link to these results)

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