G4LUU3_SCHMA Loading...

Bcl2-associated athanogene, putative

AlphaFold DB , UniProt , Accession G4LUU3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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
1M36.3Very low59.7Low239 Ų239100.2 Ų100.2100%1.17755%0.549SS*.  0124.70-72163.9172.100106.7
2N46.9Very low61.5Low91 Ų9197.2 Ų97.249%0.48753%0.528SS..  trans-77.1122.7-171.8-89.6-43.6000109.4K4 E5N2-K4 HydrophobicContact CB-CG 4.06Å; N2-K4 PolarHBondContact O-N 3.4Å; N2-E5 PolarHBondContact O-N 2.79Å; N2-E5 VanDerWaalsContact O-N 3.07Å
3P54.2Low62.8Low110 Ų11095.4 Ų95.471%0.71452%0.515SS*.G310 helixtrans-65.9-8.8-174.423.4-31.6000114.6E5 S6P3-E5 VanDerWaalsContact C-N 3.32Å; P3-S6 PolarHBondContact O-OG 3.48Å
4K49.5Very low64.1Low162 Ų16296.6 Ų96.670%0.70451%0.509SS*.G310 helixtrans-79.1-6.1173.542.3-172.316877.70114.6N2N2-K4 HydrophobicContact CB-CG 4.06Å; N2-K4 PolarHBondContact O-N 3.4Å
5E50.7Low65Low155 Ų15595.9 Ų95.972%0.72451%0.505SS*.G310 helixtrans-90.6-2.6176.2-82.6168.2151.500114.3N2 P3N2-E5 PolarHBondContact O-N 2.79Å; N2-E5 VanDerWaalsContact O-N 3.07Å; P3-E5 VanDerWaalsContact C-N 3.32Å
6S61.4Low65.6Low69 Ų6992.3 Ų92.348%0.48349%0.486SS..SBendtrans-90.9-14.2-171.8-34.90000114.6P3P3-S6 PolarHBondContact O-OG 3.48Å
7L63.9Low65.9Low39 Ų3997.9 Ų97.920%0.20451%0.509CS..SBendtrans-92.2136.2-177.9-71.8166000110.1W11 M13 F24 H36L7-W11 HydrophobicContact CB-CB 4.02Å; L7-W11 HydrophobicContact CD2-CB 4.1Å; L7-M13 HydrophobicContact CD1-CB 3.74Å; L7-F24 HydrophobicContact CD2-CD1 3.65Å; L7-F24 HydrophobicContact CD2-CE1 3.92Å; L7-H36 WeakPolarHBondContact CD2-NE2 3.07Å
8P67.6Low66.1Low41 Ų41103.8 Ų103.827%0.26653%0.53SS..PPolyproline II helixtrans-60.3156.8174-14.626.1000110.8G10 W11 P37 V38P8-G10 PolarHBondContact O-N 3.34Å; P8-W11 HydrophobicContact CB-CG 4.42Å; P8-W11 HydrophobicContact CG-CG 4.27Å; P8-W11 WeakPolarHBondContact O-CB 3.46Å; P8-W11 PolarHBondContact O-N 3.37Å; P8-P37 HydrophobicContact CG-CG 4.17Å; P8-V38 HydrophobicContact CG-CG2 3.41Å; P8-V38 VanDerWaalsContact CG-CG2 3.41Å
9P70.5Confident66.4Low120 Ų120101.2 Ų101.278%0.77952%0.522SS*.THydrogen-bonded Turntrans-51130.9173.1-24.333.1000111.5N28P9-N28 PolarHBondContact O-ND2 3.31Å; P9-N28 VanDerWaalsContact O-ND2 3.14Å
10G75Confident66.6Low32 Ų3297.8 Ų97.833%0.3351%0.513SS..THydrogen-bonded Turntrans86.31.6-177.100000114.9P8 H27P8-G10 PolarHBondContact O-N 3.34Å; G10-H27 VanDerWaalsContact O-CB 3.26Å; G10-H27 WeakPolarHBondContact O-CB 3.24Å; G10-H27 PolarHBondContact O-CD2 2.76Å; G10-H27 VanDerWaalsContact O-CD2 3.31Å; G10-H27 PolarHBondContact O-N 2.91Å
11W80.4Confident66.8Low44 Ų4496.3 Ų96.317%0.16750%0.503CS..EExtended strand (participates in β ladder)trans-101134.9173.8-70.976.6000112.1L7 P8 F24 V25 D26 Q33 P37L7-W11 HydrophobicContact CB-CB 4.02Å; L7-W11 HydrophobicContact CD2-CB 4.1Å; P8-W11 HydrophobicContact CB-CG 4.42Å; P8-W11 HydrophobicContact CG-CG 4.27Å; P8-W11 WeakPolarHBondContact O-CB 3.46Å; P8-W11 PolarHBondContact O-N 3.37Å; W11-F24 HydrophobicContact CE3-CB 3.97Å; W11-F24 HydrophobicContact CZ3-CB 4.04Å; W11-V25 CarbonylContact C-O 3.56Å; W11-V25 WeakPolarHBondContact CA-O 3.07Å; W11-D26 HydrophobicContact CD2-CB 4.03Å; W11-D26 HydrophobicContact CE3-CB 4.04Å; W11-D26 HydrophobicContact CH2-CB 3.67Å; W11-D26 HydrophobicContact CZ2-CB 3.64Å; W11-D26 HydrophobicContact CZ3-CB 3.89Å; W11-Q33 HydrophobicContact CH2-CG 4.08Å; W11-Q33 VanDerWaalsContact CH2-OE1 3.29Å; W11-Q33 VanDerWaalsContact CZ3-CD 3.46Å; W11-Q33 HydrophobicContact CZ3-CG 3.68Å; W11-P37 HydrophobicContact CD2-CB 3.84Å; W11-P37 HydrophobicContact CD2-CG 3.39Å; W11-P37 HydrophobicContact CE3-CB 3.88Å; W11-P37 HydrophobicContact CE3-CG 3.36Å; W11-P37 HydrophobicContact CG-CG 3.95Å; W11-P37 HydrophobicContact CH2-CB 3.5Å; W11-P37 VanDerWaalsContact CH2-CB 3.5Å; W11-P37 HydrophobicContact CH2-CG 3.99Å; W11-P37 HydrophobicContact CZ2-CB 3.45Å; W11-P37 VanDerWaalsContact CZ2-CB 3.45Å; W11-P37 HydrophobicContact CZ2-CG 4.02Å; W11-P37 HydrophobicContact CZ3-CB 3.7Å; W11-P37 HydrophobicContact CZ3-CG 3.66Å
12E81.8Confident68.7Low64 Ų6488 Ų8830%0.29946%0.461SS..EExtended strand (participates in β ladder)trans-125.6126.9177.6-173-177.4172.400110.5R14 F24 V25 H27E12-R14 VanDerWaalsContact CD-NH2 3.3Å; E12-R14 HydrophobicContact CG-CG 4.36Å; E12-R14 IonicContact OE1-CZ 3.16Å; E12-R14 IonicContact OE1-NE 2.81Å; E12-R14 PolarHBondContact OE1-NE 2.74Å; E12-R14 IonicContact OE1-NH2 2.74Å; E12-R14 PolarHBondContact OE1-NH2 3.03Å; E12-R14 IonicContact OE2-CZ 3.86Å; E12-R14 IonicContact OE2-NH2 3.19Å; E12-R14 PolarHBondContact OE2-NH2 3.2Å; E12-F24 CarbonylContact O-C 3.52Å; E12-F24 WeakPolarHBondContact O-CA 3.19Å; E12-V25 HydrophobicContact CB-CB 4.33Å; E12-V25 PolarHBondContact N-O 3.36Å; E12-V25 PolarHBondContact O-N 3.06Å; E12-H27 IonicContact OE2-CE1 3.78Å; E12-H27 PolarHBondContact OE2-CE1 3Å; E12-H27 IonicContact OE2-NE2 3.31Å; E12-H27 PolarHBondContact OE2-NE2 3.46Å
13M78.2Confident70Confident74 Ų7486.2 Ų86.237%0.36545%0.448SS..EExtended strand (participates in β ladder)trans-89.9130.4173.1178.1-177.5-167.300109.8L7 F22 F24 Y43L7-M13 HydrophobicContact CD1-CB 3.74Å; M13-F22 HydrophobicContact CE-CB 3.57Å; M13-F22 HydrophobicContact CE-CD1 3.36Å; M13-F22 HydrophobicContact CE-CD2 3.82Å; M13-F22 HydrophobicContact CE-CE1 3.9Å; M13-F22 HydrophobicContact CE-CE2 4.33Å; M13-F22 HydrophobicContact CE-CG 3.29Å; M13-F22 HydrophobicContact CE-CZ 4.35Å; M13-F22 HydrophobicContact CG-CB 4.42Å; M13-F22 HydrophobicContact CG-CD1 4.12Å; M13-F22 HydrophobicContact SD-CD1 4.39Å; M13-F24 HydrophobicContact CB-CD1 3.86Å; M13-F24 HydrophobicContact CB-CE1 3.71Å; M13-F24 HydrophobicContact CE-CE1 4.33Å; M13-F24 HydrophobicContact CE-CZ 4.12Å; M13-F24 HydrophobicContact CG-CD1 4.13Å; M13-F24 HydrophobicContact CG-CE1 3.59Å; M13-F24 HydrophobicContact CG-CZ 4.15Å; M13-F24 HydrophobicContact SD-CE1 3.87Å; M13-F24 HydrophobicContact SD-CZ 4.26Å; M13-Y43 HydrophobicContact CE-CD1 4.39Å; M13-Y43 HydrophobicContact CE-CG 4.32Å
14R80.6Confident71.3Confident113 Ų11381 Ų8143%0.42641%0.414SS..EExtended strand (participates in β ladder)trans-129.5156.1177.2-70.2-109.6179.81054.2109.7E12 F22 Y23 V25E12-R14 VanDerWaalsContact CD-NH2 3.3Å; E12-R14 HydrophobicContact CG-CG 4.36Å; E12-R14 IonicContact OE1-CZ 3.16Å; E12-R14 IonicContact OE1-NE 2.81Å; E12-R14 PolarHBondContact OE1-NE 2.74Å; E12-R14 IonicContact OE1-NH2 2.74Å; E12-R14 PolarHBondContact OE1-NH2 3.03Å; E12-R14 IonicContact OE2-CZ 3.86Å; E12-R14 IonicContact OE2-NH2 3.19Å; E12-R14 PolarHBondContact OE2-NH2 3.2Å; R14-F22 CarbonylContact O-C 3.5Å; R14-F22 VanDerWaalsContact O-CA 3.26Å; R14-F22 WeakPolarHBondContact O-CA 3.44Å; R14-Y23 HydrophobicContact CB-CD1 3.98Å; R14-Y23 HydrophobicContact CB-CD2 4.05Å; R14-Y23 HydrophobicContact CB-CE1 3.44Å; R14-Y23 VanDerWaalsContact CB-CE1 3.44Å; R14-Y23 HydrophobicContact CB-CE2 3.51Å; R14-Y23 HydrophobicContact CB-CG 4.27Å; R14-Y23 WeakPolarHBondContact CB-OH 3.37Å; R14-Y23 HydrophobicContact CG-CE2 4.07Å; R14-Y23 PolarHBondContact N-O 2.93Å; R14-Y23 WeakPolarHBondContact O-CD1 3.03Å; R14-Y23 PolarHBondContact O-N 3.12Å; R14-Y23 VanDerWaalsContact O-O 3.08Å; R14-V25 HydrophobicContact CG-CG2 4.3Å
15L77.3Confident72.7Confident85 Ų8574.2 Ų74.245%0.44539%0.386SS..EExtended strand (participates in β ladder)trans-100128.1171-176.573000107.9E17 F22 Y23L15-E17 PolarHBondContact O-N 3.41Å; L15-F22 HydrophobicContact CB-CD1 4.04Å; L15-F22 HydrophobicContact CB-CE1 4.01Å; L15-F22 HydrophobicContact CD1-CD1 3.81Å; L15-F22 HydrophobicContact CD1-CD2 4.23Å; L15-F22 HydrophobicContact CD1-CE1 3.75Å; L15-F22 HydrophobicContact CD1-CE2 4.16Å; L15-F22 HydrophobicContact CD1-CG 4.07Å; L15-F22 HydrophobicContact CD1-CZ 3.94Å; L15-F22 HydrophobicContact CG-CE1 4.41Å; L15-Y23 VanDerWaalsContact C-CE1 3.47Å
16D75.7Confident74.1Confident39 Ų3967.4 Ų67.421%0.20936%0.355CS..  trans-81.7114.9170.917538.3000108.5K18 S19 G20 H21 Y23 W34D16-K18 PolarHBondContact O-N 3.13Å; D16-K18 PolarHBondContact OD1-N 3.05Å; D16-S19 WeakPolarHBondContact CB-OG 3.33Å; D16-S19 VanDerWaalsContact OD2-CB 3.28Å; D16-S19 WeakPolarHBondContact OD2-CB 3.2Å; D16-S19 PolarHBondContact OD2-N 3.41Å; D16-S19 PolarHBondContact OD2-OG 3.36Å; D16-G20 VanDerWaalsContact O-CA 3.23Å; D16-G20 WeakPolarHBondContact O-CA 3.48Å; D16-G20 PolarHBondContact O-N 3.47Å; D16-H21 PolarHBondContact N-O 3.03Å; D16-Y23 HydrophobicContact CB-CD1 3.66Å; D16-Y23 HydrophobicContact CB-CE1 3.77Å; D16-W34 HydrophobicContact CB-CH2 4.1Å; D16-W34 HydrophobicContact CB-CZ3 4.09Å
17E70.8Confident74.8Confident187 Ų18769 Ų6987%0.87435%0.354SS*.THydrogen-bonded Turntrans-67.3-20.1-178.6-67.3-175.7120.900112.7L15L15-E17 PolarHBondContact O-N 3.41Å
18K69.9Low75.3Confident204 Ų20472.3 Ų72.389%0.88737%0.372SS*.THydrogen-bonded Turntrans-77.3-47.6177.7-75-177.1179.1175.50112.6D16D16-K18 PolarHBondContact O-N 3.13Å; D16-K18 PolarHBondContact OD1-N 3.05Å
19S70.2Confident75.8Confident55 Ų5574.7 Ų74.739%0.38539%0.386SS..THydrogen-bonded Turntrans-92-21.1-178.758.60000113.4D16 H21D16-S19 WeakPolarHBondContact CB-OG 3.33Å; D16-S19 VanDerWaalsContact OD2-CB 3.28Å; D16-S19 WeakPolarHBondContact OD2-CB 3.2Å; D16-S19 PolarHBondContact OD2-N 3.41Å; D16-S19 PolarHBondContact OD2-OG 3.36Å; S19-H21 PolarHBondContact O-N 3.34Å; S19-H21 PolarHBondContact OG-N 3.34Å
20G72.2Confident76.1Confident33 Ų3379.9 Ų79.934%0.3439%0.39SS..  trans6914.4-168.600000113.1D16D16-G20 VanDerWaalsContact O-CA 3.23Å; D16-G20 WeakPolarHBondContact O-CA 3.48Å; D16-G20 PolarHBondContact O-N 3.47Å
21H69.9Low75.7Confident66 Ų6681.4 Ų81.431%0.30640%0.396SS..  trans-97.5147.9178.4-71.7-169000111D16 S19 W34D16-H21 PolarHBondContact N-O 3.03Å; S19-H21 PolarHBondContact O-N 3.34Å; S19-H21 PolarHBondContact OG-N 3.34Å; H21-W34 HydrophobicContact CB-CE3 4Å; H21-W34 HydrophobicContact CB-CZ3 3.78Å
22F75.8Confident75.8Confident65 Ų6583.8 Ų83.829%0.28542%0.415SS..EExtended strand (participates in β ladder)trans-79.4133.8170.6-66.6-79.1000110.1M13 R14 L15 Y43M13-F22 HydrophobicContact CE-CB 3.57Å; M13-F22 HydrophobicContact CE-CD1 3.36Å; M13-F22 HydrophobicContact CE-CD2 3.82Å; M13-F22 HydrophobicContact CE-CE1 3.9Å; M13-F22 HydrophobicContact CE-CE2 4.33Å; M13-F22 HydrophobicContact CE-CG 3.29Å; M13-F22 HydrophobicContact CE-CZ 4.35Å; M13-F22 HydrophobicContact CG-CB 4.42Å; M13-F22 HydrophobicContact CG-CD1 4.12Å; M13-F22 HydrophobicContact SD-CD1 4.39Å; R14-F22 CarbonylContact O-C 3.5Å; R14-F22 VanDerWaalsContact O-CA 3.26Å; R14-F22 WeakPolarHBondContact O-CA 3.44Å; L15-F22 HydrophobicContact CB-CD1 4.04Å; L15-F22 HydrophobicContact CB-CE1 4.01Å; L15-F22 HydrophobicContact CD1-CD1 3.81Å; L15-F22 HydrophobicContact CD1-CD2 4.23Å; L15-F22 HydrophobicContact CD1-CE1 3.75Å; L15-F22 HydrophobicContact CD1-CE2 4.16Å; L15-F22 HydrophobicContact CD1-CG 4.07Å; L15-F22 HydrophobicContact CD1-CZ 3.94Å; L15-F22 HydrophobicContact CG-CE1 4.41Å; F22-Y43 WeakPolarHBondContact CD2-O 3.37Å; F22-Y43 PolarHBondContact N-O 3Å
23Y74.7Confident75.5Confident53 Ų5383.9 Ų83.921%0.20842%0.416CS..EExtended strand (participates in β ladder)trans-120.6151.117267.1-84.5000110R14 L15 D16 V25R14-Y23 HydrophobicContact CB-CD1 3.98Å; R14-Y23 HydrophobicContact CB-CD2 4.05Å; R14-Y23 HydrophobicContact CB-CE1 3.44Å; R14-Y23 VanDerWaalsContact CB-CE1 3.44Å; R14-Y23 HydrophobicContact CB-CE2 3.51Å; R14-Y23 HydrophobicContact CB-CG 4.27Å; R14-Y23 WeakPolarHBondContact CB-OH 3.37Å; R14-Y23 HydrophobicContact CG-CE2 4.07Å; R14-Y23 PolarHBondContact N-O 2.93Å; R14-Y23 WeakPolarHBondContact O-CD1 3.03Å; R14-Y23 PolarHBondContact O-N 3.12Å; R14-Y23 VanDerWaalsContact O-O 3.08Å; L15-Y23 VanDerWaalsContact C-CE1 3.47Å; D16-Y23 HydrophobicContact CB-CD1 3.66Å; D16-Y23 HydrophobicContact CB-CE1 3.77Å; Y23-V25 HydrophobicContact CD2-CG2 3.78Å; Y23-V25 HydrophobicContact CE2-CG2 3.56Å
24F81.3Confident75.5Confident0 Ų085.7 Ų85.70%042%0.418CS..EExtended strand (participates in β ladder)trans-112.3126.9-177.9-58.9-83.9000108.8L7 W11 E12 M13 T32 Q33 N35 H36 Y43L7-F24 HydrophobicContact CD2-CD1 3.65Å; L7-F24 HydrophobicContact CD2-CE1 3.92Å; W11-F24 HydrophobicContact CE3-CB 3.97Å; W11-F24 HydrophobicContact CZ3-CB 4.04Å; E12-F24 CarbonylContact O-C 3.52Å; E12-F24 WeakPolarHBondContact O-CA 3.19Å; M13-F24 HydrophobicContact CB-CD1 3.86Å; M13-F24 HydrophobicContact CB-CE1 3.71Å; M13-F24 HydrophobicContact CE-CE1 4.33Å; M13-F24 HydrophobicContact CE-CZ 4.12Å; M13-F24 HydrophobicContact CG-CD1 4.13Å; M13-F24 HydrophobicContact CG-CE1 3.59Å; M13-F24 HydrophobicContact CG-CZ 4.15Å; M13-F24 HydrophobicContact SD-CE1 3.87Å; M13-F24 HydrophobicContact SD-CZ 4.26Å; F24-T32 CarbonylContact O-C 3.52Å; F24-T32 WeakPolarHBondContact O-CA 3.35Å; F24-Q33 HydrophobicContact CB-CG 4.29Å; F24-Q33 PolarHBondContact N-O 2.93Å; F24-Q33 PolarHBondContact O-N 3.13Å; F24-N35 VanDerWaalsContact CD2-C 3.49Å; F24-N35 WeakPolarHBondContact CD2-O 3.19Å; F24-H36 AromaticContact CD1-CD2 3.96Å; F24-H36 HydrophobicContact CD2-CB 4.15Å; F24-H36 HydrophobicContact CE1-CB 4.13Å; F24-H36 AromaticContact CE1-CD2 3.28Å; F24-H36 WeakPolarHBondContact CE1-CD2 3.34Å; F24-H36 AromaticContact CE1-CG 3.96Å; F24-H36 HydrophobicContact CE2-CB 3.73Å; F24-H36 HydrophobicContact CZ-CB 3.73Å; F24-H36 AromaticContact CZ-CD2 3.56Å; F24-Y43 AromaticContact CE2-CD2 3.71Å; F24-Y43 HydrophobicContact CE2-CD2 3.71Å; F24-Y43 HydrophobicContact CE2-CE2 4.38Å; F24-Y43 AromaticContact CZ-CD2 3.35Å; F24-Y43 HydrophobicContact CZ-CD2 3.35Å; F24-Y43 AromaticContact CZ-CE2 3.78Å; F24-Y43 HydrophobicContact CZ-CE2 3.78Å; F24-Y43 HydrophobicContact CZ-CG 4.09Å
25V77.8Confident75.1Confident20 Ų2083 Ų8312%0.12141%0.413CS..EExtended strand (participates in β ladder)trans-102.7118.7179.1-174.90000107.6W11 E12 R14 Y23 T32W11-V25 CarbonylContact C-O 3.56Å; W11-V25 WeakPolarHBondContact CA-O 3.07Å; E12-V25 HydrophobicContact CB-CB 4.33Å; E12-V25 PolarHBondContact N-O 3.36Å; E12-V25 PolarHBondContact O-N 3.06Å; R14-V25 HydrophobicContact CG-CG2 4.3Å; Y23-V25 HydrophobicContact CD2-CG2 3.78Å; Y23-V25 HydrophobicContact CE2-CG2 3.56Å; V25-T32 HydrophobicContact CB-CG2 4.24Å; V25-T32 HydrophobicContact CG1-CG2 4.06Å; V25-T32 HydrophobicContact CG2-CG2 3.88Å
26D81.3Confident74.7Confident13 Ų1379.3 Ų79.37%0.0739%0.393CS..EExtended strand (participates in β ladder)trans-89.7109169.3-175.99.2000109.6W11 N28 T29 R30 S31W11-D26 HydrophobicContact CD2-CB 4.03Å; W11-D26 HydrophobicContact CE3-CB 4.04Å; W11-D26 HydrophobicContact CH2-CB 3.67Å; W11-D26 HydrophobicContact CZ2-CB 3.64Å; W11-D26 HydrophobicContact CZ3-CB 3.89Å; D26-N28 VanDerWaalsContact C-N 3.28Å; D26-N28 WeakPolarHBondContact OD1-CA 3.22Å; D26-N28 WeakPolarHBondContact OD1-CB 3.36Å; D26-N28 PolarHBondContact OD1-N 3.29Å; D26-N28 PolarHBondContact OD1-ND2 2.82Å; D26-T29 VanDerWaalsContact CG-OG1 3.27Å; D26-T29 WeakPolarHBondContact OD2-CB 3.37Å; D26-T29 WeakPolarHBondContact OD2-CG2 3.34Å; D26-T29 PolarHBondContact OD2-N 3.32Å; D26-T29 PolarHBondContact OD2-OG1 3.35Å; D26-R30 CarbonylContact O-C 3.56Å; D26-R30 WeakPolarHBondContact O-CA 3.44Å; D26-R30 PolarHBondContact O-N 3.15Å; D26-S31 PolarHBondContact N-O 3.27Å; D26-S31 PolarHBondContact O-N 3.28Å
27H75.5Confident74.1Confident101 Ų10179.6 Ų79.647%0.46840%0.397SS..THydrogen-bonded Turntrans-77-13.2175.1-66.7-86.3000113.2G10 E12G10-H27 VanDerWaalsContact O-CB 3.26Å; G10-H27 WeakPolarHBondContact O-CB 3.24Å; G10-H27 PolarHBondContact O-CD2 2.76Å; G10-H27 VanDerWaalsContact O-CD2 3.31Å; G10-H27 PolarHBondContact O-N 2.91Å; E12-H27 IonicContact OE2-CE1 3.78Å; E12-H27 PolarHBondContact OE2-CE1 3Å; E12-H27 IonicContact OE2-NE2 3.31Å; E12-H27 PolarHBondContact OE2-NE2 3.46Å
28N74.2Confident73.9Confident110 Ų11075 Ų7559%0.58838%0.382SS*.THydrogen-bonded Turntrans-73.9-46.9175.4-55.1-77.5000110.7P9 D26P9-N28 PolarHBondContact O-ND2 3.31Å; P9-N28 VanDerWaalsContact O-ND2 3.14Å; D26-N28 VanDerWaalsContact C-N 3.28Å; D26-N28 WeakPolarHBondContact OD1-CA 3.22Å; D26-N28 WeakPolarHBondContact OD1-CB 3.36Å; D26-N28 PolarHBondContact OD1-N 3.29Å; D26-N28 PolarHBondContact OD1-ND2 2.82Å
29T78.2Confident73.7Confident91 Ų9168.3 Ų68.356%0.55836%0.358SS*.THydrogen-bonded Turntrans-98.9-9.7179.361.50000113.8D26 S31D26-T29 VanDerWaalsContact CG-OG1 3.27Å; D26-T29 WeakPolarHBondContact OD2-CB 3.37Å; D26-T29 WeakPolarHBondContact OD2-CG2 3.34Å; D26-T29 PolarHBondContact OD2-N 3.32Å; D26-T29 PolarHBondContact OD2-OG1 3.35Å; T29-S31 PolarHBondContact O-N 2.74Å
30R77.1Confident73.4Confident228 Ų22871.1 Ų71.186%0.8637%0.369SS*.THydrogen-bonded Turntrans56.934-170.6-57.4-170.5-174.5157.92.1113.4D26D26-R30 CarbonylContact O-C 3.56Å; D26-R30 WeakPolarHBondContact O-CA 3.44Å; D26-R30 PolarHBondContact O-N 3.15Å
31S66.8Low72.8Confident65 Ų6574.8 Ų74.846%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-105.5153.5174.3-72.40000111.2D26 T29D26-S31 PolarHBondContact N-O 3.27Å; D26-S31 PolarHBondContact O-N 3.28Å; T29-S31 PolarHBondContact O-N 2.74Å
32T82Confident72.1Confident93 Ų9376.5 Ų76.557%0.57139%0.385SS*.EExtended strand (participates in β ladder)trans-115.9143.8173.753.90000109.4F24 V25F24-T32 CarbonylContact O-C 3.52Å; F24-T32 WeakPolarHBondContact O-CA 3.35Å; V25-T32 HydrophobicContact CB-CG2 4.24Å; V25-T32 HydrophobicContact CG1-CG2 4.06Å; V25-T32 HydrophobicContact CG2-CG2 3.88Å
33Q75.6Confident71.3Confident66 Ų6677.1 Ų77.131%0.30839%0.386SS..EExtended strand (participates in β ladder)trans-145.7148.8-18053.4-178.269.200110.9W11 F24 N35W11-Q33 HydrophobicContact CH2-CG 4.08Å; W11-Q33 VanDerWaalsContact CH2-OE1 3.29Å; W11-Q33 VanDerWaalsContact CZ3-CD 3.46Å; W11-Q33 HydrophobicContact CZ3-CG 3.68Å; F24-Q33 HydrophobicContact CB-CG 4.29Å; F24-Q33 PolarHBondContact N-O 2.93Å; F24-Q33 PolarHBondContact O-N 3.13Å; Q33-N35 VanDerWaalsContact C-N 3.34Å; Q33-N35 WeakPolarHBondContact CG-O 3.05Å; Q33-N35 PolarHBondContact NE2-O 3.06Å
34W78.6Confident70.4Confident112 Ų11276.8 Ų76.842%0.42439%0.392SS..SBendtrans-77.5-25.5178.6-59.9102.5000112.3D16 H21D16-W34 HydrophobicContact CB-CH2 4.1Å; D16-W34 HydrophobicContact CB-CZ3 4.09Å; H21-W34 HydrophobicContact CB-CE3 4Å; H21-W34 HydrophobicContact CB-CZ3 3.78Å
35N72.5Confident68.6Low57 Ų5780.9 Ų80.931%0.30542%0.42SS..BIsolated β-bridgetrans-91.5140.2-178.6-5679.3000111F24 Q33 N40F24-N35 VanDerWaalsContact CD2-C 3.49Å; F24-N35 WeakPolarHBondContact CD2-O 3.19Å; Q33-N35 VanDerWaalsContact C-N 3.34Å; Q33-N35 WeakPolarHBondContact CG-O 3.05Å; Q33-N35 PolarHBondContact NE2-O 3.06Å; N35-N40 WeakPolarHBondContact CB-OD1 3.41Å; N35-N40 PolarHBondContact ND2-O 2.93Å
36H68.4Low67.1Low7 Ų784.9 Ų84.93%0.03245%0.447CS..  trans-69.7131.9176.7-172.9-69.3000111L7 F24 V38 T39 N40 Q41 Y43L7-H36 WeakPolarHBondContact CD2-NE2 3.07Å; F24-H36 AromaticContact CD1-CD2 3.96Å; F24-H36 HydrophobicContact CD2-CB 4.15Å; F24-H36 HydrophobicContact CE1-CB 4.13Å; F24-H36 AromaticContact CE1-CD2 3.28Å; F24-H36 WeakPolarHBondContact CE1-CD2 3.34Å; F24-H36 AromaticContact CE1-CG 3.96Å; F24-H36 HydrophobicContact CE2-CB 3.73Å; F24-H36 HydrophobicContact CZ-CB 3.73Å; F24-H36 AromaticContact CZ-CD2 3.56Å; H36-V38 PolarHBondContact ND1-N 3.47Å; H36-V38 VanDerWaalsContact ND1-N 3.13Å; H36-V38 PolarHBondContact O-N 2.99Å; H36-V38 VanDerWaalsContact O-N 3.13Å; H36-T39 VanDerWaalsContact CB-OG1 3.28Å; H36-T39 WeakPolarHBondContact CB-OG1 3.18Å; H36-T39 PolarHBondContact ND1-N 3.47Å; H36-T39 PolarHBondContact ND1-OG1 3.27Å; H36-T39 PolarHBondContact O-N 2.91Å; H36-N40 WeakPolarHBondContact O-CA 3.47Å; H36-N40 PolarHBondContact O-N 3.34Å; H36-Q41 PolarHBondContact N-O 3.4Å; H36-Y43 HydrophobicContact CB-CD2 4.07Å; H36-Y43 HydrophobicContact CB-CE2 3.57Å; H36-Y43 AromaticContact CD2-CE2 3.65Å; H36-Y43 AromaticContact CG-CE2 3.89Å
37P64.3Low65.3Low45 Ų4592.3 Ų92.329%0.29248%0.484SS..THydrogen-bonded Turntrans-58.1-32.5-175.525.3-39.8000115P8 W11P8-P37 HydrophobicContact CG-CG 4.17Å; W11-P37 HydrophobicContact CD2-CB 3.84Å; W11-P37 HydrophobicContact CD2-CG 3.39Å; W11-P37 HydrophobicContact CE3-CB 3.88Å; W11-P37 HydrophobicContact CE3-CG 3.36Å; W11-P37 HydrophobicContact CG-CG 3.95Å; W11-P37 HydrophobicContact CH2-CB 3.5Å; W11-P37 VanDerWaalsContact CH2-CB 3.5Å; W11-P37 HydrophobicContact CH2-CG 3.99Å; W11-P37 HydrophobicContact CZ2-CB 3.45Å; W11-P37 VanDerWaalsContact CZ2-CB 3.45Å; W11-P37 HydrophobicContact CZ2-CG 4.02Å; W11-P37 HydrophobicContact CZ3-CB 3.7Å; W11-P37 HydrophobicContact CZ3-CG 3.66Å
38V65.4Low63.4Low92 Ų9294.9 Ų94.956%0.55850%0.502SS*.THydrogen-bonded Turntrans-89.8-39.6-176.9-174.20000112.6P8 H36P8-V38 HydrophobicContact CG-CG2 3.41Å; P8-V38 VanDerWaalsContact CG-CG2 3.41Å; H36-V38 PolarHBondContact ND1-N 3.47Å; H36-V38 VanDerWaalsContact ND1-N 3.13Å; H36-V38 PolarHBondContact O-N 2.99Å; H36-V38 VanDerWaalsContact O-N 3.13Å
39T66Low61.7Low62 Ų6292.6 Ų92.638%0.3851%0.505SS..THydrogen-bonded Turntrans-106.6-8.3-171.853.30000112.7H36 Q41H36-T39 VanDerWaalsContact CB-OG1 3.28Å; H36-T39 WeakPolarHBondContact CB-OG1 3.18Å; H36-T39 PolarHBondContact ND1-N 3.47Å; H36-T39 PolarHBondContact ND1-OG1 3.27Å; H36-T39 PolarHBondContact O-N 2.91Å; T39-Q41 PolarHBondContact O-N 2.87Å
40N64.2Low59.6Low115 Ų11595 Ų9562%0.61552%0.519SS*.  trans47.916.1-169.4-149.319.4000114.2N35 H36 E42N35-N40 WeakPolarHBondContact CB-OD1 3.41Å; N35-N40 PolarHBondContact ND2-O 2.93Å; H36-N40 WeakPolarHBondContact O-CA 3.47Å; H36-N40 PolarHBondContact O-N 3.34Å; N40-E42 PolarHBondContact O-N 3.11Å
41Q58.8Low57.9Low110 Ų11091.1 Ų91.151%0.51452%0.516SS..  trans-76124.7179.7-82.5-176.7-101.700108.5H36 T39 Y43H36-Q41 PolarHBondContact N-O 3.4Å; T39-Q41 PolarHBondContact O-N 2.87Å; Q41-Y43 HydrophobicContact CB-CD2 4.12Å; Q41-Y43 HydrophobicContact CB-CE2 3.83Å; Q41-Y43 VanDerWaalsContact O-CD2 3.28Å; Q41-Y43 WeakPolarHBondContact O-CD2 3.46Å; Q41-Y43 PolarHBondContact O-N 3.36Å
42E56.4Low56.6Low102 Ų10294.1 Ų94.148%0.47753%0.531SS..BIsolated β-bridgetrans-71.7107.7160.8-164.9176.2-175.200106.5N40 S44N40-E42 PolarHBondContact O-N 3.11Å; E42-S44 PolarHBondContact O-N 3.42Å
43Y59.1Low54.9Low77 Ų7794.2 Ų94.230%0.30254%0.536SS..  trans-78.563.7172.8-72.6-98.8000107.9M13 F22 F24 H36 Q41M13-Y43 HydrophobicContact CE-CD1 4.39Å; M13-Y43 HydrophobicContact CE-CG 4.32Å; F22-Y43 WeakPolarHBondContact CD2-O 3.37Å; F22-Y43 PolarHBondContact N-O 3Å; F24-Y43 AromaticContact CE2-CD2 3.71Å; F24-Y43 HydrophobicContact CE2-CD2 3.71Å; F24-Y43 HydrophobicContact CE2-CE2 4.38Å; F24-Y43 AromaticContact CZ-CD2 3.35Å; F24-Y43 HydrophobicContact CZ-CD2 3.35Å; F24-Y43 AromaticContact CZ-CE2 3.78Å; F24-Y43 HydrophobicContact CZ-CE2 3.78Å; F24-Y43 HydrophobicContact CZ-CG 4.09Å; H36-Y43 HydrophobicContact CB-CD2 4.07Å; H36-Y43 HydrophobicContact CB-CE2 3.57Å; H36-Y43 AromaticContact CD2-CE2 3.65Å; H36-Y43 AromaticContact CG-CE2 3.89Å; Q41-Y43 HydrophobicContact CB-CD2 4.12Å; Q41-Y43 HydrophobicContact CB-CE2 3.83Å; Q41-Y43 VanDerWaalsContact O-CD2 3.28Å; Q41-Y43 WeakPolarHBondContact O-CD2 3.46Å; Q41-Y43 PolarHBondContact O-N 3.36Å
44S54.3Low53.3Low47 Ų4798.2 Ų98.233%0.32956%0.559SS.*  trans-70.2136.3155.153.10000106E42 P46E42-S44 PolarHBondContact O-N 3.42Å; S44-P46 WeakPolarHBondContact O-CD 3.38Å; S44-P46 WeakPolarHBondContact O-CG 3.43Å
45S44.3Very low51.3Low85 Ų85102.4 Ų102.459%0.59458%0.581SS**  trans-77.7110.9-176.9-54.70000110.1
46P47.2Very low49.3Very low105 Ų105103.6 Ų103.668%0.68259%0.594SS**  trans-117.4112.5172.312.315.8000108S44 N48S44-P46 WeakPolarHBondContact O-CD 3.38Å; S44-P46 WeakPolarHBondContact O-CG 3.43Å; P46-N48 PolarHBondContact O-N 3.16Å; P46-N48 VanDerWaalsContact O-N 3.1Å
47I41.9Very low47.6Very low168 Ų168111.2 Ų111.286%0.86263%0.629SS**  trans-49.9120.6164.1-70.9167000108
48N36.6Very low46.3Very low155 Ų155118.2 Ų118.283%0.82966%0.658SS**SBendtrans70.6112.2168.7-86.1-12.4000120.2P46P46-N48 PolarHBondContact O-N 3.16Å; P46-N48 VanDerWaalsContact O-N 3.1Å
49G37.3Very low44.8Very low63 Ų63120.6 Ų120.665%0.64967%0.668SS**  110.3119117.800000118.7
50T35.2Very low43.7Very low141 Ų141122 Ų12287%0.86568%0.68SS**  trans78.493.6149.930.90000120.7
51N41.2Very low42.3Very low147 Ų147121.5 Ų121.579%0.78669%0.685SS**  43.1122114.9-138.14.4000119.2
52T39.7Very low41.1Very low127 Ų127122.8 Ų122.878%0.77970%0.696SS**  162.8132121.1-67.10000112.3
53S45.3Very low40.8Very low95 Ų95123.8 Ų123.866%0.66471%0.709SS**  trans-54.2156.5175.6-38.20000116.5
54N43.2Very low39.9Very low151 Ų151125.4 Ų125.481%0.80773%0.73SS**  trans144113.5144.3-72.6-29.7000110.5
55F35.3Very low39.7Very low199 Ų199124.2 Ų124.287%0.87373%0.725SS**  84.7126.882-143.6-92.1000113.9
56S31.6Very low40.6Very low83 Ų83122.6 Ų122.658%0.5871%0.714SS**  trans82.8148.6160.4-76.50000123.1
57E32.8Very low41.8Very low166 Ų166122.6 Ų122.678%0.77672%0.716SS**  trans88.696.4154.8-109.574.193.700118.8N59E57-N59 PolarHBondContact O-N 3.09Å
58Q36.6Very low43.5Very low193 Ų193115.9 Ų115.990%0.90268%0.684SS**  trans-37113.9137.7-58.4-173.2-48.600110.3
59N34.5Very low45.6Very low141 Ų141112.3 Ų112.375%0.75466%0.662SS**  trans15596.5148.8-172.125.1000109.3E57E57-N59 PolarHBondContact O-N 3.09Å
60S41.7Very low47.7Very low91 Ų91116.2 Ų116.264%0.63666%0.661SS**  trans-16282.8153-159.60000110.3D62S60-D62 PolarHBondContact O-N 3.09Å
61S36.1Very low50.2Low105 Ų105111.3 Ų111.373%0.73463%0.632SS**  trans-79.318.616639.90000112.9
62D33.8Very low52.4Low137 Ų137104.4 Ų104.473%0.73359%0.594SS**  trans-130.968.5-174.3-73.5-75.2000111S60S60-D62 PolarHBondContact O-N 3.09Å
63V48.2Very low54.6Low124 Ų124100.5 Ų100.575%0.75258%0.575SS**SBendtrans-125.192.3167.3-173.40000109.5G65V63-G65 PolarHBondContact O-N 3.09Å
64C40.9Very low56.7Low110 Ų110100.2 Ų100.274%0.74357%0.566SS**  trans45.661.1153.7-154.30000116.4S66C64-S66 PolarHBondContact O-N 2.82Å
65G50.9Low59Low22 Ų2293.1 Ų93.123%0.22753%0.529CS..  trans-60.2111156.100000108.2V63 E69V63-G65 PolarHBondContact O-N 3.09Å; G65-E69 WeakPolarHBondContact CA-OE2 3.46Å
66S62.4Low61.6Low51 Ų5185.2 Ų85.236%0.35750%0.495SS..  trans-48.2148.9172.9-68.60000108.8C64 C68 E69 K70C64-S66 PolarHBondContact O-N 2.82Å; S66-C68 WeakPolarHBondContact CB-SG 3.42Å; S66-C68 CarbonylContact O-C 3.59Å; S66-C68 PolarHBondContact O-N 3.27Å; S66-E69 WeakPolarHBondContact O-CA 3.4Å; S66-E69 WeakPolarHBondContact O-CB 3.38Å; S66-E69 PolarHBondContact O-N 3.26Å; S66-K70 PolarHBondContact O-N 3.44Å; S66-K70 VanDerWaalsContact O-N 3.08Å
67S73.6Confident64.4Low105 Ų10585 Ų8573%0.73449%0.493SS*.Hα-helixtrans-46.1-37.7-178-173.90000112.5T71S67-T71 PolarHBondContact O-N 3.39Å; S67-T71 PolarHBondContact O-OG1 3.2Å; S67-T71 VanDerWaalsContact O-OG1 3.04Å
68C76.8Confident67.2Low27 Ų2782 Ų8218%0.18247%0.474CS..Hα-helixtrans-65.6-42.7172.948.60000115S66 T71 I72 L115 V123S66-C68 WeakPolarHBondContact CB-SG 3.42Å; S66-C68 CarbonylContact O-C 3.59Å; S66-C68 PolarHBondContact O-N 3.27Å; C68-T71 PolarHBondContact O-N 2.95Å; C68-I72 VanDerWaalsContact O-CG1 3.28Å; C68-I72 WeakPolarHBondContact O-CG1 3.24Å; C68-I72 PolarHBondContact O-N 2.88Å; C68-L115 HydrophobicContact CB-CD2 4.39Å; C68-V123 HydrophobicContact CB-CG1 3.88Å; C68-V123 HydrophobicContact CB-CG2 4.5Å
69E80.1Confident69.8Low80 Ų8072.8 Ų72.837%0.37443%0.432SS..Hα-helixtrans-66-40.1179.2-167.7176.9-17900111.4G65 S66 T71 I72 A73 M126G65-E69 WeakPolarHBondContact CA-OE2 3.46Å; S66-E69 WeakPolarHBondContact O-CA 3.4Å; S66-E69 WeakPolarHBondContact O-CB 3.38Å; S66-E69 PolarHBondContact O-N 3.26Å; E69-T71 PolarHBondContact O-N 3.4Å; E69-I72 PolarHBondContact O-N 3.39Å; E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.02Å; E69-M126 HydrophobicContact CG-CE 3.96Å; E69-M126 HydrophobicContact CG-SD 4.04Å
70K81.1Confident72.5Confident145 Ų14573.1 Ų73.163%0.6342%0.422SS*.Hα-helixtrans-59.8-44.8171.9-76.1-173.7179.4-175.30111.8S66 I72 A73 D74S66-K70 PolarHBondContact O-N 3.44Å; S66-K70 VanDerWaalsContact O-N 3.08Å; K70-I72 VanDerWaalsContact C-N 3.34Å; K70-I72 PolarHBondContact O-N 2.82Å; K70-A73 PolarHBondContact O-N 3.14Å; K70-D74 WeakPolarHBondContact O-CB 3.21Å; K70-D74 PolarHBondContact O-N 3.36Å
71T87.8Confident74.8Confident39 Ų3972.9 Ų72.924%0.23942%0.421CS..Hα-helixtrans-61.8-43.1176.4-54.60000111.5S67 C68 E69 D74 V75 L115S67-T71 PolarHBondContact O-N 3.39Å; S67-T71 PolarHBondContact O-OG1 3.2Å; S67-T71 VanDerWaalsContact O-OG1 3.04Å; C68-T71 PolarHBondContact O-N 2.95Å; E69-T71 PolarHBondContact O-N 3.4Å; T71-D74 PolarHBondContact O-N 3.15Å; T71-V75 WeakPolarHBondContact O-CB 3.37Å; T71-V75 VanDerWaalsContact O-CG2 3.28Å; T71-V75 WeakPolarHBondContact O-CG2 2.92Å; T71-V75 PolarHBondContact O-N 2.99Å; T71-L115 HydrophobicContact CG2-CD1 4.06Å; T71-L115 HydrophobicContact CG2-CD2 4.14Å; T71-L115 HydrophobicContact CG2-CG 4.48Å
72I87.3Confident77.4Confident1 Ų169 Ų691%0.00539%0.391CS..Hα-helixtrans-66.4-42178.8-62.3162.3000110.8C68 E69 K70 D74 V75 M76 L112 L115 V123 M126 R127 A130C68-I72 VanDerWaalsContact O-CG1 3.28Å; C68-I72 WeakPolarHBondContact O-CG1 3.24Å; C68-I72 PolarHBondContact O-N 2.88Å; E69-I72 PolarHBondContact O-N 3.39Å; K70-I72 VanDerWaalsContact C-N 3.34Å; K70-I72 PolarHBondContact O-N 2.82Å; I72-D74 VanDerWaalsContact C-N 3.34Å; I72-D74 PolarHBondContact O-N 3.14Å; I72-V75 PolarHBondContact O-N 2.49Å; I72-M76 HydrophobicContact CG2-CG 4.27Å; I72-M76 WeakPolarHBondContact O-CB 3.3Å; I72-M76 VanDerWaalsContact O-CG 3.28Å; I72-M76 WeakPolarHBondContact O-CG 3.42Å; I72-M76 PolarHBondContact O-N 2.8Å; I72-L112 HydrophobicContact CG1-CD2 3.94Å; I72-L115 HydrophobicContact CD1-CD1 4.36Å; I72-L115 HydrophobicContact CG1-CD1 3.81Å; I72-V123 HydrophobicContact CD1-CG1 3.88Å; I72-M126 HydrophobicContact CD1-CB 3.97Å; I72-M126 HydrophobicContact CG2-CB 3.8Å; I72-M126 HydrophobicContact CG2-CE 4.3Å; I72-R127 HydrophobicContact CD1-CB 4.28Å; I72-A130 HydrophobicContact CG2-CB 4.09Å
73A87.7Confident80.1Confident46 Ų4666 Ų6638%0.3837%0.373SS..Hα-helixtrans-62.7-40176.400000112.3E69 K70 M76 S77E69-A73 WeakPolarHBondContact O-CB 3.36Å; E69-A73 PolarHBondContact O-N 3.02Å; K70-A73 PolarHBondContact O-N 3.14Å; A73-M76 PolarHBondContact O-N 2.88Å; A73-S77 WeakPolarHBondContact O-CB 3.37Å; A73-S77 PolarHBondContact O-N 3.3Å; A73-S77 PolarHBondContact O-OG 2.96Å
74D89.3Confident82.1Confident89 Ų8963.6 Ų63.648%0.47636%0.36SS..Hα-helixtrans-62.7-46.9173.9-173.161.9000111K70 T71 I72 M76 S77 R78K70-D74 WeakPolarHBondContact O-CB 3.21Å; K70-D74 PolarHBondContact O-N 3.36Å; T71-D74 PolarHBondContact O-N 3.15Å; I72-D74 VanDerWaalsContact C-N 3.34Å; I72-D74 PolarHBondContact O-N 3.14Å; D74-M76 PolarHBondContact O-N 2.91Å; D74-S77 PolarHBondContact O-N 3.43Å; D74-R78 WeakPolarHBondContact O-CG 3.37Å; D74-R78 PolarHBondContact O-N 3.22Å
75V91.1Very high84.5Confident2 Ų262 Ų621%0.01235%0.347CS..Hα-helixtrans-59.6-46.8177167.20000111.7T71 I72 S77 R78 A79 L108 L112 A130 I134T71-V75 WeakPolarHBondContact O-CB 3.37Å; T71-V75 VanDerWaalsContact O-CG2 3.28Å; T71-V75 WeakPolarHBondContact O-CG2 2.92Å; T71-V75 PolarHBondContact O-N 2.99Å; I72-V75 PolarHBondContact O-N 2.49Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 3.48Å; V75-R78 PolarHBondContact O-N 3.45Å; V75-A79 WeakPolarHBondContact O-CB 3.39Å; V75-A79 PolarHBondContact O-N 3.39Å; V75-L108 HydrophobicContact CB-CD2 4.38Å; V75-L108 HydrophobicContact CG1-CB 3.97Å; V75-L108 HydrophobicContact CG1-CD2 4.18Å; V75-L108 HydrophobicContact CG1-CG 4.5Å; V75-L108 HydrophobicContact CG2-CD2 4.19Å; V75-L112 HydrophobicContact CB-CD2 4.13Å; V75-L112 HydrophobicContact CB-CG 4.46Å; V75-L112 HydrophobicContact CG1-CD1 3.83Å; V75-L112 HydrophobicContact CG1-CD2 4Å; V75-L112 HydrophobicContact CG1-CG 3.91Å; V75-L112 HydrophobicContact CG2-CD2 4.1Å; V75-L112 HydrophobicContact CG2-CG 4.28Å; V75-A130 HydrophobicContact CG1-CB 4.47Å; V75-I134 HydrophobicContact CG1-CD1 3.7Å
76M89.2Confident86.3Confident33 Ų3361 Ų6116%0.16334%0.336CS..Hα-helixtrans-60.9-42.3176.3-73-63.1-77.200111.9I72 A73 D74 A79 R80 A130 E133I72-M76 HydrophobicContact CG2-CG 4.27Å; I72-M76 WeakPolarHBondContact O-CB 3.3Å; I72-M76 VanDerWaalsContact O-CG 3.28Å; I72-M76 WeakPolarHBondContact O-CG 3.42Å; I72-M76 PolarHBondContact O-N 2.8Å; A73-M76 PolarHBondContact O-N 2.88Å; D74-M76 PolarHBondContact O-N 2.91Å; M76-A79 PolarHBondContact O-N 2.88Å; M76-R80 WeakPolarHBondContact O-CB 3.37Å; M76-R80 WeakPolarHBondContact O-CG 3.18Å; M76-R80 PolarHBondContact O-N 2.93Å; M76-A130 HydrophobicContact CG-CB 4Å; M76-A130 WeakPolarHBondContact SD-CA 3.27Å; M76-A130 HydrophobicContact SD-CB 3.45Å; M76-A130 WeakPolarHBondContact SD-CB 3.46Å; M76-E133 HydrophobicContact SD-CB 4.47Å
77S90Very high87.5Confident77 Ų7761.7 Ų61.754%0.53834%0.336SS..Hα-helixtrans-63.6-42.5178.3-61.40000111.3A73 D74 V75 R80 S81A73-S77 WeakPolarHBondContact O-CB 3.37Å; A73-S77 PolarHBondContact O-N 3.3Å; A73-S77 PolarHBondContact O-OG 2.96Å; D74-S77 PolarHBondContact O-N 3.43Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 3.48Å; S77-R80 PolarHBondContact O-N 3.09Å; S77-S81 PolarHBondContact O-N 2.82Å
78R91.5Very high88.2Confident104 Ų10461.9 Ų61.939%0.39234%0.336SS..Hα-helixtrans-65.8-44.2175.8-71.2178.867.7-177-1.5112D74 V75 R80 S81 L82 L108D74-R78 WeakPolarHBondContact O-CG 3.37Å; D74-R78 PolarHBondContact O-N 3.22Å; V75-R78 PolarHBondContact O-N 3.45Å; R78-R80 VanDerWaalsContact C-N 3.35Å; R78-R80 PolarHBondContact O-N 2.92Å; R78-S81 PolarHBondContact O-N 3.24Å; R78-S81 VanDerWaalsContact O-N 3.16Å; R78-L82 WeakPolarHBondContact O-CG 3.27Å; R78-L82 PolarHBondContact O-N 3.36Å; R78-L82 VanDerWaalsContact O-N 3.09Å; R78-L108 HydrophobicContact CB-CD1 4.09Å; R78-L108 HydrophobicContact CB-CD2 3.68Å; R78-L108 HydrophobicContact CG-CD2 4.37Å
79A92.2Very high88.5Confident0 Ų061.2 Ų61.20%033%0.33CS..Hα-helixtrans-58-47175.900000111.4V75 M76 S81 L82 Q83 L108 I134 L137V75-A79 WeakPolarHBondContact O-CB 3.39Å; V75-A79 PolarHBondContact O-N 3.39Å; M76-A79 PolarHBondContact O-N 2.88Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.41Å; A79-L82 PolarHBondContact O-N 3.3Å; A79-L82 VanDerWaalsContact O-N 3.09Å; A79-Q83 PolarHBondContact O-N 3.45Å; A79-Q83 VanDerWaalsContact O-N 3.09Å; A79-L108 HydrophobicContact CB-CD1 4.09Å; A79-I134 HydrophobicContact CB-CG1 4.02Å; A79-L137 HydrophobicContact CB-CD1 4.12Å; A79-L137 WeakPolarHBondContact O-CD1 3.4Å
80R90.8Very high88.6Confident148 Ų14863.7 Ų63.756%0.55835%0.346SS*.Hα-helixtrans-63.9-31.5176.2-74.6-179.3176162.6-0.3113.7M76 S77 R78 L82 Q83 P84 E133M76-R80 WeakPolarHBondContact O-CB 3.37Å; M76-R80 WeakPolarHBondContact O-CG 3.18Å; M76-R80 PolarHBondContact O-N 2.93Å; S77-R80 PolarHBondContact O-N 3.09Å; R78-R80 VanDerWaalsContact C-N 3.35Å; R78-R80 PolarHBondContact O-N 2.92Å; R80-L82 VanDerWaalsContact C-N 3.33Å; R80-Q83 WeakPolarHBondContact O-CB 3.38Å; R80-P84 WeakPolarHBondContact O-CD 3.43Å; R80-E133 IonicContact NE-OE1 3.93Å
81S91.1Very high88.6Confident86 Ų8657.3 Ų57.360%0.60132%0.322SS*.Hα-helixtrans-72.8-26.7174.6-169.50000113S77 R78 A79S77-S81 PolarHBondContact O-N 2.82Å; R78-S81 PolarHBondContact O-N 3.24Å; R78-S81 VanDerWaalsContact O-N 3.16Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.41Å
82L89.7Confident88.3Confident22 Ų2257.5 Ų57.512%0.11533%0.327CS..Hα-helixtrans-80.7-27.4176.2-67.2164.7000111.8R78 A79 R80 T85 I86 L101 N104 L105 L108R78-L82 WeakPolarHBondContact O-CG 3.27Å; R78-L82 PolarHBondContact O-N 3.36Å; R78-L82 VanDerWaalsContact O-N 3.09Å; A79-L82 PolarHBondContact O-N 3.3Å; A79-L82 VanDerWaalsContact O-N 3.09Å; R80-L82 VanDerWaalsContact C-N 3.33Å; L82-T85 WeakPolarHBondContact O-CA 3.2Å; L82-T85 WeakPolarHBondContact O-CB 3.49Å; L82-T85 PolarHBondContact O-N 2.88Å; L82-I86 HydrophobicContact CB-CD1 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 2.86Å; L82-L101 HydrophobicContact CD2-CD2 3.75Å; L82-N104 HydrophobicContact CD1-CB 3.89Å; L82-N104 HydrophobicContact CD2-CB 4.31Å; L82-L105 HydrophobicContact CD1-CD2 3.92Å; L82-L105 HydrophobicContact CD1-CG 4.39Å; L82-L108 HydrophobicContact CD1-CD1 4.09Å
83Q90.9Very high87.9Confident75 Ų7560 Ų6035%0.3534%0.343SS..Hα-helixtrans-45.5-58.6178.1-116-155.5-6600114.8A79 R80 T85 I86 D87 L137A79-Q83 PolarHBondContact O-N 3.45Å; A79-Q83 VanDerWaalsContact O-N 3.09Å; R80-Q83 WeakPolarHBondContact O-CB 3.38Å; Q83-T85 PolarHBondContact O-N 3.08Å; Q83-I86 PolarHBondContact O-N 3.48Å; Q83-I86 VanDerWaalsContact O-N 3.13Å; Q83-D87 PolarHBondContact O-N 3.14Å; Q83-L137 HydrophobicContact CB-CD2 4.15Å; Q83-L137 HydrophobicContact CG-CD1 4.25Å; Q83-L137 HydrophobicContact CG-CD2 3.15Å; Q83-L137 HydrophobicContact CG-CG 4.22Å
84P89.7Confident87.5Confident73 Ų7365.6 Ų65.647%0.47436%0.361SS..Hα-helixtrans-63.7-31.6-178.724.4-33.8000112.2R80 D87 C88R80-P84 WeakPolarHBondContact O-CD 3.43Å; P84-D87 PolarHBondContact O-N 3.25Å; P84-C88 WeakPolarHBondContact O-CB 3.34Å; P84-C88 PolarHBondContact O-N 2.99Å; P84-C88 PolarHBondContact O-SG 2.9Å
85T90.7Very high87.4Confident77 Ų7762.6 Ų62.647%0.47235%0.347SS..Hα-helixtrans-66.6-41.3176.1-47.80000111.1L82 Q83 C88 F89 L101L82-T85 WeakPolarHBondContact O-CA 3.2Å; L82-T85 WeakPolarHBondContact O-CB 3.49Å; L82-T85 PolarHBondContact O-N 2.88Å; Q83-T85 PolarHBondContact O-N 3.08Å; T85-C88 PolarHBondContact O-N 3.49Å; T85-F89 WeakPolarHBondContact O-CB 3.32Å; T85-F89 PolarHBondContact O-N 3.37Å; T85-L101 HydrophobicContact CG2-CD1 4.35Å; T85-L101 HydrophobicContact CG2-CD2 3.88Å
86I89.5Confident87.3Confident0 Ų071.5 Ų71.50%039%0.386CS..Hα-helixtrans-68.2-39.8174.2-62.2166.4000110L82 Q83 C88 F89 L101 L105 L137 M140 L141 R144L82-I86 HydrophobicContact CB-CD1 4.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.44Å; L82-I86 PolarHBondContact O-N 2.86Å; Q83-I86 PolarHBondContact O-N 3.48Å; Q83-I86 VanDerWaalsContact O-N 3.13Å; I86-C88 VanDerWaalsContact C-N 3.27Å; I86-C88 PolarHBondContact O-N 2.94Å; I86-F89 WeakPolarHBondContact O-CB 3.41Å; I86-F89 PolarHBondContact O-N 3.32Å; I86-L101 HydrophobicContact CG1-CD1 4.14Å; I86-L101 HydrophobicContact CG1-CD2 4.18Å; I86-L105 HydrophobicContact CD1-CD1 3.91Å; I86-L105 HydrophobicContact CD1-CD2 4.34Å; I86-L137 HydrophobicContact CD1-CB 3.75Å; I86-L137 HydrophobicContact CD1-CD1 4.37Å; I86-L137 HydrophobicContact CD1-CD2 3.87Å; I86-L137 HydrophobicContact CD1-CG 4.2Å; I86-M140 HydrophobicContact CG2-CB 4.33Å; I86-M140 HydrophobicContact CG2-CG 4.23Å; I86-L141 HydrophobicContact CG1-CD1 4.34Å; I86-L141 HydrophobicContact CG2-CB 3.9Å; I86-L141 HydrophobicContact CG2-CD1 4.11Å; I86-R144 WeakPolarHBondContact O-CD 3.42Å; I86-R144 PolarHBondContact O-NE 2.82Å
87D87.4Confident87.4Confident66 Ų6675.9 Ų75.935%0.35341%0.406SS..Hα-helixtrans-70.1-22.1178.3-84.8-29.7000114.1Q83 P84 R144Q83-D87 PolarHBondContact O-N 3.14Å; P84-D87 PolarHBondContact O-N 3.25Å; D87-R144 VanDerWaalsContact C-CZ 3.44Å; D87-R144 VanDerWaalsContact CA-CZ 3.48Å; D87-R144 VanDerWaalsContact CA-NH2 3.35Å; D87-R144 PolarHBondContact O-NH1 3.34Å; D87-R144 PolarHBondContact O-NH2 3.4Å; D87-R144 IonicContact OD1-CZ 3.62Å; D87-R144 IonicContact OD1-NE 3.47Å; D87-R144 IonicContact OD1-NH2 2.85Å; D87-R144 PolarHBondContact OD1-NH2 3.37Å
88C87.7Confident87.4Confident110 Ų11073.7 Ų73.774%0.74339%0.386SS*.THydrogen-bonded Turntrans-98.10.3169.9-64.60000112.7P84 T85 I86 N90P84-C88 WeakPolarHBondContact O-CB 3.34Å; P84-C88 PolarHBondContact O-N 2.99Å; P84-C88 PolarHBondContact O-SG 2.9Å; T85-C88 PolarHBondContact O-N 3.49Å; I86-C88 VanDerWaalsContact C-N 3.27Å; I86-C88 PolarHBondContact O-N 2.94Å; C88-N90 PolarHBondContact O-N 3.47Å
89F84.4Confident87.4Confident12 Ų1274.7 Ų74.75%0.05339%0.393CS..  trans-69.9123.6180-177.9-103.8000110.2T85 I86 G91 S95 E97 Y98 L101 L141 R144T85-F89 WeakPolarHBondContact O-CB 3.32Å; T85-F89 PolarHBondContact O-N 3.37Å; I86-F89 WeakPolarHBondContact O-CB 3.41Å; I86-F89 PolarHBondContact O-N 3.32Å; F89-G91 WeakPolarHBondContact CE1-O 3.44Å; F89-G91 VanDerWaalsContact CZ-C 3.5Å; F89-G91 VanDerWaalsContact CZ-O 3.24Å; F89-G91 WeakPolarHBondContact CZ-O 3.28Å; F89-S95 WeakPolarHBondContact CZ-OG 3.28Å; F89-E97 HydrophobicContact CD2-CB 4.16Å; F89-E97 HydrophobicContact CE2-CB 3.71Å; F89-Y98 HydrophobicContact CE1-CD2 4.22Å; F89-Y98 HydrophobicContact CZ-CD2 4.41Å; F89-L101 HydrophobicContact CB-CD1 4.5Å; F89-L101 HydrophobicContact CD2-CD1 4.05Å; F89-L101 HydrophobicContact CG-CD1 4.34Å; F89-L141 HydrophobicContact CB-CD1 4.37Å; F89-L141 HydrophobicContact CD1-CD1 3.59Å; F89-L141 HydrophobicContact CE1-CD1 4Å; F89-L141 HydrophobicContact CG-CD1 3.92Å; F89-R144 HydrophobicContact CD1-CB 4.4Å; F89-R144 PolarHBondContact O-NH1 2.89Å
90N81.8Confident87.5Confident133 Ų13380.1 Ų80.171%0.71142%0.418SS*.  trans-139.766.6177.5-170.512.8000108.5C88C88-N90 PolarHBondContact O-N 3.47Å
91G80.4Confident87.6Confident11 Ų1173.4 Ų73.411%0.11339%0.394CS..SBendtrans-142.8163.7-178.400000112F89F89-G91 WeakPolarHBondContact CE1-O 3.44Å; F89-G91 VanDerWaalsContact CZ-C 3.5Å; F89-G91 VanDerWaalsContact CZ-O 3.24Å; F89-G91 WeakPolarHBondContact CZ-O 3.28Å
92A81.3Confident87.6Confident43 Ų4370.9 Ų70.936%0.35537%0.373SS..  trans-69.1157.4177.100000112.2Q94 S95A92-Q94 PolarHBondContact O-N 3.45Å; A92-S95 VanDerWaalsContact O-CB 3.22Å; A92-S95 WeakPolarHBondContact O-CB 3.46Å; A92-S95 PolarHBondContact O-N 2.89Å; A92-S95 PolarHBondContact O-OG 3.19Å
93P78.7Confident87.8Confident52 Ų5275.7 Ų75.734%0.33840%0.395SS..THydrogen-bonded Turntrans-62.2-19.5-179.615.6-23.6000113.7Y98 S145P93-Y98 WeakPolarHBondContact O-CD1 3.41Å; P93-S145 WeakPolarHBondContact CA-OG 3.26Å; P93-S145 WeakPolarHBondContact CB-OG 3.28Å; P93-S145 WeakPolarHBondContact CD-OG 3.39Å; P93-S145 WeakPolarHBondContact CG-OG 3.47Å; P93-S145 VanDerWaalsContact N-OG 3.13Å
94Q80.4Confident87.9Confident165 Ų16573.8 Ų73.877%0.77139%0.387SS*.THydrogen-bonded Turntrans-93-0.6177.1-70.3-170.3-0.500113.9A92A92-Q94 PolarHBondContact O-N 3.45Å
95S87.3Confident88Confident26 Ų2670.3 Ų70.318%0.18236%0.364CS..SBendtrans-61.3148.1175.564.70000110.8F89 A92 E97 Y98 K99F89-S95 WeakPolarHBondContact CZ-OG 3.28Å; A92-S95 VanDerWaalsContact O-CB 3.22Å; A92-S95 WeakPolarHBondContact O-CB 3.46Å; A92-S95 PolarHBondContact O-N 2.89Å; A92-S95 PolarHBondContact O-OG 3.19Å; S95-E97 PolarHBondContact O-N 3.39Å; S95-Y98 PolarHBondContact O-N 2.91Å; S95-Y98 WeakPolarHBondContact OG-CB 3.44Å; S95-Y98 PolarHBondContact OG-N 3.2Å; S95-Y98 VanDerWaalsContact OG-N 3.15Å; S95-K99 PolarHBondContact O-N 3.38Å; S95-K99 VanDerWaalsContact O-N 3.14Å
96K89.5Confident88.2Confident188 Ų18871.4 Ų71.482%0.81736%0.364SS*.Hα-helixtrans-59.7-33175.4-73.1-177.9178.7177.50111.4H100K96-H100 WeakPolarHBondContact O-CB 3.43Å; K96-H100 PolarHBondContact O-N 2.9Å
97E90.3Very high88.3Confident125 Ų12576.9 Ų76.958%0.58439%0.39SS*.Hα-helixtrans-65.3-47.9176.9-73.3140179.100111.7F89 S95 K99 H100 L101F89-E97 HydrophobicContact CD2-CB 4.16Å; F89-E97 HydrophobicContact CE2-CB 3.71Å; S95-E97 PolarHBondContact O-N 3.39Å; E97-K99 PolarHBondContact O-N 3.44Å; E97-H100 PolarHBondContact O-N 3.13Å; E97-L101 WeakPolarHBondContact O-CB 3.31Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.45Å; E97-L101 PolarHBondContact O-N 3.28Å
98Y91Very high88.6Confident31 Ų3173.8 Ų73.812%0.12237%0.373CS..Hα-helixtrans-57.9-49.1175.3177.4-86.3000111.1F89 P93 S95 H100 L101 M102 L141 D142F89-Y98 HydrophobicContact CE1-CD2 4.22Å; F89-Y98 HydrophobicContact CZ-CD2 4.41Å; P93-Y98 WeakPolarHBondContact O-CD1 3.41Å; S95-Y98 PolarHBondContact O-N 2.91Å; S95-Y98 WeakPolarHBondContact OG-CB 3.44Å; S95-Y98 PolarHBondContact OG-N 3.2Å; S95-Y98 VanDerWaalsContact OG-N 3.15Å; Y98-H100 VanDerWaalsContact C-N 3.32Å; Y98-H100 PolarHBondContact O-N 3.13Å; Y98-L101 PolarHBondContact O-N 2.93Å; Y98-M102 HydrophobicContact CE1-CB 4.41Å; Y98-M102 HydrophobicContact CE1-CE 4.43Å; Y98-M102 VanDerWaalsContact O-CB 3.3Å; Y98-M102 WeakPolarHBondContact O-CB 3.47Å; Y98-M102 PolarHBondContact O-N 3.18Å; Y98-M102 WeakPolarHBondContact OH-CE 3.19Å; Y98-L141 HydrophobicContact CD2-CD1 3.98Å; Y98-L141 HydrophobicContact CD2-CD2 3.78Å; Y98-L141 HydrophobicContact CD2-CG 3.58Å; Y98-L141 HydrophobicContact CE2-CD2 3.84Å; Y98-L141 HydrophobicContact CE2-CG 3.65Å; Y98-L141 HydrophobicContact CG-CD2 4.42Å; Y98-D142 WeakPolarHBondContact CE2-OD1 3.45Å; Y98-D142 PolarHBondContact OH-OD1 3.31Å
99K91.5Very high88.8Confident125 Ų12570.8 Ų70.854%0.54335%0.349SS..Hα-helixtrans-60.2-43.7178.8-67.8-175-177.6-176.10111.7S95 E97 E103S95-K99 PolarHBondContact O-N 3.38Å; S95-K99 VanDerWaalsContact O-N 3.14Å; E97-K99 PolarHBondContact O-N 3.44Å; K99-E103 WeakPolarHBondContact O-CB 3.36Å; K99-E103 PolarHBondContact O-N 3.47Å
100H92.6Very high89.1Confident114 Ų11475 Ų7553%0.52837%0.372SS..Hα-helixtrans-66.2-40.9179-171.968.7000112.2K96 E97 Y98 N104K96-H100 WeakPolarHBondContact O-CB 3.43Å; K96-H100 PolarHBondContact O-N 2.9Å; E97-H100 PolarHBondContact O-N 3.13Å; Y98-H100 VanDerWaalsContact C-N 3.32Å; Y98-H100 PolarHBondContact O-N 3.13Å; H100-N104 PolarHBondContact CD2-ND2 3.49Å; H100-N104 PolarHBondContact CE1-ND2 2.84Å; H100-N104 VanDerWaalsContact CE1-ND2 3.3Å; H100-N104 PolarHBondContact NE2-ND2 2.85Å; H100-N104 VanDerWaalsContact NE2-ND2 3.11Å; H100-N104 WeakPolarHBondContact O-CB 3.28Å; H100-N104 PolarHBondContact O-N 3.02Å; H100-N104 PolarHBondContact O-ND2 3.48Å
101L93.1Very high89.4Confident7 Ų771.2 Ų71.24%0.03736%0.356CS..Hα-helixtrans-65-49175.9-72.4170000110.7L82 T85 I86 F89 E97 Y98 E103 N104 L105 L141L82-L101 HydrophobicContact CD2-CD2 3.75Å; T85-L101 HydrophobicContact CG2-CD1 4.35Å; T85-L101 HydrophobicContact CG2-CD2 3.88Å; I86-L101 HydrophobicContact CG1-CD1 4.14Å; I86-L101 HydrophobicContact CG1-CD2 4.18Å; F89-L101 HydrophobicContact CB-CD1 4.5Å; F89-L101 HydrophobicContact CD2-CD1 4.05Å; F89-L101 HydrophobicContact CG-CD1 4.34Å; E97-L101 WeakPolarHBondContact O-CB 3.31Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.45Å; E97-L101 PolarHBondContact O-N 3.28Å; Y98-L101 PolarHBondContact O-N 2.93Å; L101-E103 PolarHBondContact O-N 3.33Å; L101-N104 PolarHBondContact O-N 3.47Å; L101-L105 VanDerWaalsContact O-CG 3.27Å; L101-L105 WeakPolarHBondContact O-CG 3.38Å; L101-L105 PolarHBondContact O-N 3.36Å; L101-L141 HydrophobicContact CB-CD1 4.41Å; L101-L141 HydrophobicContact CB-CD2 3.86Å; L101-L141 HydrophobicContact CD1-CD1 3.82Å
102M91.5Very high89.8Confident34 Ų3470.8 Ų70.817%0.16735%0.351CS..Hα-helixtrans-57.5-50176.9-17366.8115.400111.4Y98 N104 L105 E106 I138 L141Y98-M102 HydrophobicContact CE1-CB 4.41Å; Y98-M102 HydrophobicContact CE1-CE 4.43Å; Y98-M102 VanDerWaalsContact O-CB 3.3Å; Y98-M102 WeakPolarHBondContact O-CB 3.47Å; Y98-M102 PolarHBondContact O-N 3.18Å; Y98-M102 WeakPolarHBondContact OH-CE 3.19Å; M102-N104 VanDerWaalsContact C-N 3.3Å; M102-N104 PolarHBondContact O-N 3.39Å; M102-L105 PolarHBondContact O-N 3.43Å; M102-L105 VanDerWaalsContact O-N 3.09Å; M102-E106 HydrophobicContact CG-CG 4.48Å; M102-E106 WeakPolarHBondContact O-CG 3.38Å; M102-E106 PolarHBondContact O-N 3.06Å; M102-I138 HydrophobicContact CE-CG2 4Å; M102-I138 HydrophobicContact SD-CG1 4.23Å; M102-I138 HydrophobicContact SD-CG2 3.94Å; M102-L141 HydrophobicContact CB-CD2 4.45Å
103E93.9Very high90Very high123 Ų12374.9 Ų74.958%0.57537%0.366SS*.Hα-helixtrans-62.8-37.6179.9-166.7172.3-143.200111.3K99 L101 Q107K99-E103 WeakPolarHBondContact O-CB 3.36Å; K99-E103 PolarHBondContact O-N 3.47Å; L101-E103 PolarHBondContact O-N 3.33Å; E103-Q107 WeakPolarHBondContact O-CB 3.41Å; E103-Q107 WeakPolarHBondContact O-CG 3.26Å; E103-Q107 PolarHBondContact O-N 3.21Å
104N92.9Very high90.1Very high34 Ų3478.9 Ų78.918%0.18239%0.385CS..Hα-helixtrans-63.2-45171.8-90.6-83.4000112.2L82 H100 L101 M102 Q107 L108L82-N104 HydrophobicContact CD1-CB 3.89Å; L82-N104 HydrophobicContact CD2-CB 4.31Å; H100-N104 PolarHBondContact CD2-ND2 3.49Å; H100-N104 PolarHBondContact CE1-ND2 2.84Å; H100-N104 VanDerWaalsContact CE1-ND2 3.3Å; H100-N104 PolarHBondContact NE2-ND2 2.85Å; H100-N104 VanDerWaalsContact NE2-ND2 3.11Å; H100-N104 WeakPolarHBondContact O-CB 3.28Å; H100-N104 PolarHBondContact O-N 3.02Å; H100-N104 PolarHBondContact O-ND2 3.48Å; L101-N104 PolarHBondContact O-N 3.47Å; M102-N104 VanDerWaalsContact C-N 3.3Å; M102-N104 PolarHBondContact O-N 3.39Å; N104-Q107 PolarHBondContact O-N 3.49Å; N104-L108 WeakPolarHBondContact O-CG 3.48Å; N104-L108 PolarHBondContact O-N 2.87Å
105L93.2Very high89.8Confident0 Ų072.5 Ų72.50%036%0.356CS..Hα-helixtrans-64.8-42.8179.3-66.6167.6000111.3L82 I86 L101 M102 Q107 L108 I109 I134 L137 I138 L141L82-L105 HydrophobicContact CD1-CD2 3.92Å; L82-L105 HydrophobicContact CD1-CG 4.39Å; I86-L105 HydrophobicContact CD1-CD1 3.91Å; I86-L105 HydrophobicContact CD1-CD2 4.34Å; L101-L105 VanDerWaalsContact O-CG 3.27Å; L101-L105 WeakPolarHBondContact O-CG 3.38Å; L101-L105 PolarHBondContact O-N 3.36Å; M102-L105 PolarHBondContact O-N 3.43Å; M102-L105 VanDerWaalsContact O-N 3.09Å; L105-Q107 PolarHBondContact O-N 3.19Å; L105-L108 WeakPolarHBondContact O-CB 3.01Å; L105-L108 PolarHBondContact O-N 2.98Å; L105-I109 PolarHBondContact O-N 2.76Å; L105-I134 HydrophobicContact CB-CG2 3.87Å; L105-I134 HydrophobicContact CD2-CG2 3.96Å; L105-I134 HydrophobicContact CG-CG2 4.5Å; L105-I134 WeakPolarHBondContact O-CG2 3.31Å; L105-L137 HydrophobicContact CD1-CB 4.14Å; L105-L137 HydrophobicContact CD2-CB 3.86Å; L105-L137 HydrophobicContact CD2-CD1 3.86Å; L105-I138 HydrophobicContact CB-CD1 4.26Å; L105-I138 HydrophobicContact CB-CG1 3.94Å; L105-I138 HydrophobicContact CD1-CG1 3.73Å; L105-I138 HydrophobicContact CG-CG1 4.41Å; L105-L141 HydrophobicContact CD1-CD2 4.38Å
106E92.9Very high88.8Confident101 Ų10180.6 Ų80.647%0.47239%0.388SS..Hα-helixtrans-62.3-41.3176.1-73.4179.7171.500112.1M102 L108 I109 L110M102-E106 HydrophobicContact CG-CG 4.48Å; M102-E106 WeakPolarHBondContact O-CG 3.38Å; M102-E106 PolarHBondContact O-N 3.06Å; E106-L108 VanDerWaalsContact C-N 3.25Å; E106-L108 PolarHBondContact O-N 2.99Å; E106-I109 PolarHBondContact O-N 2.61Å; E106-L110 PolarHBondContact O-N 3.23Å
107Q93.3Very high87.6Confident115 Ų11573.6 Ų73.654%0.53736%0.363SS..Hα-helixtrans-59.7-36.2175.2-76.6-71.1-68.700112.2E103 N104 L105 S111E103-Q107 WeakPolarHBondContact O-CB 3.41Å; E103-Q107 WeakPolarHBondContact O-CG 3.26Å; E103-Q107 PolarHBondContact O-N 3.21Å; N104-Q107 PolarHBondContact O-N 3.49Å; L105-Q107 PolarHBondContact O-N 3.19Å; Q107-S111 PolarHBondContact O-N 3.49Å
108L92.5Very high86.2Confident1 Ų175.1 Ų75.11%0.00538%0.375CS..Hα-helixtrans-66.5-44.7176.6-65.4176.8000111.6V75 R78 A79 L82 N104 L105 E106 L110 S111 L112 I134V75-L108 HydrophobicContact CB-CD2 4.38Å; V75-L108 HydrophobicContact CG1-CB 3.97Å; V75-L108 HydrophobicContact CG1-CD2 4.18Å; V75-L108 HydrophobicContact CG1-CG 4.5Å; V75-L108 HydrophobicContact CG2-CD2 4.19Å; R78-L108 HydrophobicContact CB-CD1 4.09Å; R78-L108 HydrophobicContact CB-CD2 3.68Å; R78-L108 HydrophobicContact CG-CD2 4.37Å; A79-L108 HydrophobicContact CB-CD1 4.09Å; L82-L108 HydrophobicContact CD1-CD1 4.09Å; N104-L108 WeakPolarHBondContact O-CG 3.48Å; N104-L108 PolarHBondContact O-N 2.87Å; L105-L108 WeakPolarHBondContact O-CB 3.01Å; L105-L108 PolarHBondContact O-N 2.98Å; E106-L108 VanDerWaalsContact C-N 3.25Å; E106-L108 PolarHBondContact O-N 2.99Å; L108-L110 PolarHBondContact O-N 3.27Å; L108-S111 WeakPolarHBondContact O-CB 3.39Å; L108-S111 PolarHBondContact O-N 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 2.84Å; L108-I134 HydrophobicContact CB-CD1 3.53Å; L108-I134 HydrophobicContact CB-CG1 4.24Å; L108-I134 HydrophobicContact CD1-CD1 4.42Å; L108-I134 HydrophobicContact CD1-CG1 4.33Å
109I91.7Very high85.1Confident46 Ų4676.1 Ų76.124%0.23639%0.394CS..Hα-helixtrans-60.3-46.9176.4-63.2-92.3000110.3L105 E106 S111 L112 D113 V131 I134 Q135L105-I109 PolarHBondContact O-N 2.76Å; E106-I109 PolarHBondContact O-N 2.61Å; I109-S111 PolarHBondContact O-N 3.45Å; I109-L112 WeakPolarHBondContact O-CB 3.32Å; I109-L112 PolarHBondContact O-N 3.24Å; I109-L112 VanDerWaalsContact O-N 3.1Å; I109-D113 PolarHBondContact O-N 2.79Å; I109-D113 VanDerWaalsContact O-N 3.12Å; I109-V131 HydrophobicContact CD1-CB 4.42Å; I109-V131 HydrophobicContact CD1-CG1 3.95Å; I109-V131 HydrophobicContact CD1-CG2 4.43Å; I109-I134 HydrophobicContact CD1-CB 3.97Å; I109-I134 HydrophobicContact CD1-CD1 4.3Å; I109-I134 HydrophobicContact CD1-CG2 3.87Å; I109-I134 HydrophobicContact CG1-CB 4.22Å; I109-I134 HydrophobicContact CG1-CD1 4.27Å; I109-I134 HydrophobicContact CG1-CG2 3.63Å; I109-Q135 HydrophobicContact CD1-CG 4.24Å
110L90.7Very high84.1Confident102 Ų10273.1 Ų73.153%0.53438%0.384SS..Hα-helixtrans-59.2-36.6178.2-112.4133000112.5E106 L108 D113 N114E106-L110 PolarHBondContact O-N 3.23Å; L108-L110 PolarHBondContact O-N 3.27Å; L110-D113 PolarHBondContact O-N 2.88Å; L110-N114 PolarHBondContact O-ND2 3.46Å
111S89.3Confident83.4Confident53 Ų5374.4 Ų74.437%0.37139%0.39SS..Hα-helixtrans-65.5-39.5176.6-155.60000111.9Q107 L108 I109Q107-S111 PolarHBondContact O-N 3.49Å; L108-S111 WeakPolarHBondContact O-CB 3.39Å; L108-S111 PolarHBondContact O-N 3.31Å; I109-S111 PolarHBondContact O-N 3.45Å
112L87.7Confident82.8Confident1 Ų179.2 Ų79.21%0.00542%0.416CS..Hα-helixtrans-69-34178.1-67.3173.5000113.1I72 V75 L108 I109 N114 L115 R127 A130 V131 I134I72-L112 HydrophobicContact CG1-CD2 3.94Å; V75-L112 HydrophobicContact CB-CD2 4.13Å; V75-L112 HydrophobicContact CB-CG 4.46Å; V75-L112 HydrophobicContact CG1-CD1 3.83Å; V75-L112 HydrophobicContact CG1-CD2 4Å; V75-L112 HydrophobicContact CG1-CG 3.91Å; V75-L112 HydrophobicContact CG2-CD2 4.1Å; V75-L112 HydrophobicContact CG2-CG 4.28Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 2.84Å; I109-L112 WeakPolarHBondContact O-CB 3.32Å; I109-L112 PolarHBondContact O-N 3.24Å; I109-L112 VanDerWaalsContact O-N 3.1Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.2Å; L112-L115 HydrophobicContact CD2-CD1 4.28Å; L112-L115 WeakPolarHBondContact O-CB 3.1Å; L112-L115 PolarHBondContact O-N 3.36Å; L112-R127 HydrophobicContact CB-CG 4.11Å; L112-R127 HydrophobicContact CD2-CG 4.37Å; L112-R127 WeakPolarHBondContact O-CD 3.32Å; L112-A130 HydrophobicContact CD1-CB 3.64Å; L112-A130 HydrophobicContact CD2-CB 4.19Å; L112-V131 HydrophobicContact CB-CG2 4.42Å; L112-V131 HydrophobicContact CD1-CG2 3.67Å; L112-I134 HydrophobicContact CD1-CD1 3.85Å
113D85.4Confident82.2Confident129 Ų12977.9 Ų77.969%0.6941%0.41SS*.Hα-helixtrans-71.9-29.7-174.1-143.626.4000112.6I109 L110 L115I109-D113 PolarHBondContact O-N 2.79Å; I109-D113 VanDerWaalsContact O-N 3.12Å; L110-D113 PolarHBondContact O-N 2.88Å; D113-L115 PolarHBondContact O-N 2.97Å
114N81.7Confident81.7Confident136 Ų13676.6 Ų76.673%0.72740%0.4SS*.THydrogen-bonded Turntrans-75.7-3.1176.2-80.4-50.3000114.4L110 L112 K116L110-N114 PolarHBondContact O-ND2 3.46Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.2Å; N114-K116 PolarHBondContact O-N 2.97Å
115L73.3Confident81.3Confident31 Ų3177 Ų7716%0.16241%0.405CS..  trans-80.8113.9-179.6-66.2174.7000111.4C68 T71 I72 L112 D113 S117C68-L115 HydrophobicContact CB-CD2 4.39Å; T71-L115 HydrophobicContact CG2-CD1 4.06Å; T71-L115 HydrophobicContact CG2-CD2 4.14Å; T71-L115 HydrophobicContact CG2-CG 4.48Å; I72-L115 HydrophobicContact CD1-CD1 4.36Å; I72-L115 HydrophobicContact CG1-CD1 3.81Å; L112-L115 HydrophobicContact CD2-CD1 4.28Å; L112-L115 WeakPolarHBondContact O-CB 3.1Å; L112-L115 PolarHBondContact O-N 3.36Å; D113-L115 PolarHBondContact O-N 2.97Å; L115-S117 PolarHBondContact O-N 2.9Å
116K66.2Low81Confident197 Ų19780 Ų8086%0.85742%0.42SS*.  trans-68.4110170.1-72.3-170.7177.9-172.50110N114 D118N114-K116 PolarHBondContact O-N 2.97Å; K116-D118 PolarHBondContact O-N 3.24Å
117S64.1Low80.7Confident41 Ų4178.6 Ų78.629%0.28741%0.41SS..  trans-8287.8173.964.80000110.4L115 G119L115-S117 PolarHBondContact O-N 2.9Å; S117-G119 VanDerWaalsContact C-N 3.29Å; S117-G119 PolarHBondContact O-N 3.42Å
118D62.5Low80.5Confident157 Ų15778.8 Ų78.884%0.8441%0.406SS*.  trans-7776.7178.6-168.10.2000111.7K116 N120K116-D118 PolarHBondContact O-N 3.24Å; D118-N120 PolarHBondContact O-N 3.31Å
119G66.3Low80.4Confident51 Ų5182.6 Ų82.653%0.52643%0.427SS..SBendtrans75.9-24.8173.400000116S117 E121 R124S117-G119 VanDerWaalsContact C-N 3.29Å; S117-G119 PolarHBondContact O-N 3.42Å; G119-E121 PolarHBondContact O-N 3.36Å; G119-R124 VanDerWaalsContact CA-NH2 3.29Å
120N71.1Confident80.3Confident62 Ų6280.4 Ų80.433%0.33242%0.416SS..  trans-71.1112.5-173.7-167.7-25.4000111.6D118 D122 V123 R124D118-N120 PolarHBondContact O-N 3.31Å; N120-D122 WeakPolarHBondContact OD1-CB 3.46Å; N120-D122 PolarHBondContact OD1-N 3.48Å; N120-D122 PolarHBondContact OD1-OD2 3.48Å; N120-V123 HydrophobicContact CB-CB 4.17Å; N120-V123 HydrophobicContact CB-CG2 3.86Å; N120-R124 WeakPolarHBondContact O-CG 3.21Å; N120-R124 PolarHBondContact O-N 3.28Å
121E78.1Confident80.4Confident141 Ų14177.4 Ų77.466%0.65940%0.401SS*.Hα-helixtrans-70.1-32.1-177.6-169.7165.4-169.700112.2G119 R124 S125G119-E121 PolarHBondContact O-N 3.36Å; E121-R124 WeakPolarHBondContact O-CB 3.28Å; E121-R124 PolarHBondContact O-N 2.74Å; E121-S125 PolarHBondContact O-N 3.44Å
122D79.5Confident80.6Confident108 Ų10881.1 Ų81.158%0.57841%0.411SS*.Hα-helixtrans-63.7-48.2176-59-52.7000110.4N120 R124 S125 M126N120-D122 WeakPolarHBondContact OD1-CB 3.46Å; N120-D122 PolarHBondContact OD1-N 3.48Å; N120-D122 PolarHBondContact OD1-OD2 3.48Å; D122-R124 VanDerWaalsContact C-N 3.25Å; D122-R124 PolarHBondContact O-N 3.08Å; D122-S125 CarbonylContact O-C 3.54Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-M126 WeakPolarHBondContact O-CB 3.39Å; D122-M126 VanDerWaalsContact O-CG 3.27Å; D122-M126 WeakPolarHBondContact O-CG 3.28Å; D122-M126 PolarHBondContact O-N 3.21Å
123V80.5Confident80.9Confident6 Ų683.5 Ų83.54%0.03642%0.422CS..Hα-helixtrans-58.9-39.6176.1177.70000110.7C68 I72 N120 R127C68-V123 HydrophobicContact CB-CG1 3.88Å; C68-V123 HydrophobicContact CB-CG2 4.5Å; I72-V123 HydrophobicContact CD1-CG1 3.88Å; N120-V123 HydrophobicContact CB-CB 4.17Å; N120-V123 HydrophobicContact CB-CG2 3.86Å; V123-R127 WeakPolarHBondContact O-CB 3.28Å; V123-R127 PolarHBondContact O-N 3.31Å
124R82.5Confident81.3Confident97 Ų9777.4 Ų77.437%0.36639%0.389SS..Hα-helixtrans-66-42174.9-65.7173.6-160.2-174.62.4111.5G119 N120 E121 D122 R128G119-R124 VanDerWaalsContact CA-NH2 3.29Å; N120-R124 WeakPolarHBondContact O-CG 3.21Å; N120-R124 PolarHBondContact O-N 3.28Å; E121-R124 WeakPolarHBondContact O-CB 3.28Å; E121-R124 PolarHBondContact O-N 2.74Å; D122-R124 VanDerWaalsContact C-N 3.25Å; D122-R124 PolarHBondContact O-N 3.08Å; R124-R128 WeakPolarHBondContact O-CG 3.41Å; R124-R128 PolarHBondContact O-N 3.41Å
125S85Confident81.9Confident42 Ų4275.9 Ų75.929%0.29438%0.378SS..Hα-helixtrans-66.4-51.5179.7-157.80000111.2E121 D122 R127 R128 D129E121-S125 PolarHBondContact O-N 3.44Å; D122-S125 CarbonylContact O-C 3.54Å; D122-S125 PolarHBondContact O-N 3.04Å; S125-R127 VanDerWaalsContact C-N 3.3Å; S125-R127 PolarHBondContact O-N 3.24Å; S125-R128 WeakPolarHBondContact O-CB 3.27Å; S125-R128 PolarHBondContact O-N 3.39Å; S125-R128 PolarHBondContact OG-NH2 3.01Å; S125-D129 PolarHBondContact O-N 3.33Å
126M85.7Confident82.9Confident63 Ų6380.3 Ų80.331%0.3140%0.397SS..Hα-helixtrans-57.4-42.1176.3-65.8179.876.900111.6E69 I72 D122 R128 D129 A130E69-M126 HydrophobicContact CG-CE 3.96Å; E69-M126 HydrophobicContact CG-SD 4.04Å; I72-M126 HydrophobicContact CD1-CB 3.97Å; I72-M126 HydrophobicContact CG2-CB 3.8Å; I72-M126 HydrophobicContact CG2-CE 4.3Å; D122-M126 WeakPolarHBondContact O-CB 3.39Å; D122-M126 VanDerWaalsContact O-CG 3.27Å; D122-M126 WeakPolarHBondContact O-CG 3.28Å; D122-M126 PolarHBondContact O-N 3.21Å; M126-R128 PolarHBondContact O-N 2.78Å; M126-D129 PolarHBondContact O-N 3.26Å; M126-A130 VanDerWaalsContact O-CB 3.31Å; M126-A130 WeakPolarHBondContact O-CB 3.23Å; M126-A130 PolarHBondContact O-N 2.95Å
127R87.3Confident84.1Confident71 Ų7171.4 Ų71.427%0.26836%0.359SS..Hα-helixtrans-59.9-46.4174.8-172.2-174.272.6169.17.2111.5I72 L112 V123 S125 A130 V131I72-R127 HydrophobicContact CD1-CB 4.28Å; L112-R127 HydrophobicContact CB-CG 4.11Å; L112-R127 HydrophobicContact CD2-CG 4.37Å; L112-R127 WeakPolarHBondContact O-CD 3.32Å; V123-R127 WeakPolarHBondContact O-CB 3.28Å; V123-R127 PolarHBondContact O-N 3.31Å; S125-R127 VanDerWaalsContact C-N 3.3Å; S125-R127 PolarHBondContact O-N 3.24Å; R127-A130 PolarHBondContact O-N 2.83Å; R127-V131 VanDerWaalsContact O-CG2 3.31Å; R127-V131 WeakPolarHBondContact O-CG2 3.35Å; R127-V131 PolarHBondContact O-N 2.77Å
128R88.6Confident85.5Confident120 Ų12071.1 Ų71.145%0.45335%0.354SS..Hα-helixtrans-63.7-44.1178.6-73.5-175.5-53-109.10.9111.6R124 S125 M126 A130 V131 K132R124-R128 WeakPolarHBondContact O-CG 3.41Å; R124-R128 PolarHBondContact O-N 3.41Å; S125-R128 WeakPolarHBondContact O-CB 3.27Å; S125-R128 PolarHBondContact O-N 3.39Å; S125-R128 PolarHBondContact OG-NH2 3.01Å; M126-R128 PolarHBondContact O-N 2.78Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-V131 PolarHBondContact O-N 2.95Å; R128-K132 WeakPolarHBondContact O-CG 3.41Å; R128-K132 PolarHBondContact O-N 3.12Å
129D90.2Very high86.9Confident81 Ų8170.5 Ų70.543%0.43335%0.346SS..Hα-helixtrans-64.2-41.5178.4-79.4-13.6000111S125 M126 V131 K132 E133S125-D129 PolarHBondContact O-N 3.33Å; M126-D129 PolarHBondContact O-N 3.26Å; D129-V131 PolarHBondContact O-N 3.33Å; D129-K132 WeakPolarHBondContact O-CB 3.49Å; D129-K132 PolarHBondContact O-N 3.48Å; D129-E133 PolarHBondContact O-N 2.85Å
130A91.1Very high88Confident0 Ų071.4 Ų71.40%034%0.338CS..Hα-helixtrans-61.9-42.9174.700000113.1I72 V75 M76 L112 M126 R127 R128 K132 E133 I134I72-A130 HydrophobicContact CG2-CB 4.09Å; V75-A130 HydrophobicContact CG1-CB 4.47Å; M76-A130 HydrophobicContact CG-CB 4Å; M76-A130 WeakPolarHBondContact SD-CA 3.27Å; M76-A130 HydrophobicContact SD-CB 3.45Å; M76-A130 WeakPolarHBondContact SD-CB 3.46Å; L112-A130 HydrophobicContact CD1-CB 3.64Å; L112-A130 HydrophobicContact CD2-CB 4.19Å; M126-A130 VanDerWaalsContact O-CB 3.31Å; M126-A130 WeakPolarHBondContact O-CB 3.23Å; M126-A130 PolarHBondContact O-N 2.95Å; R127-A130 PolarHBondContact O-N 2.83Å; R128-A130 VanDerWaalsContact C-N 3.34Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.28Å; A130-E133 PolarHBondContact O-N 3.02Å; A130-I134 WeakPolarHBondContact O-CD1 3.47Å; A130-I134 VanDerWaalsContact O-CG1 3.28Å; A130-I134 WeakPolarHBondContact O-CG1 3.19Å; A130-I134 PolarHBondContact O-N 3.42Å; A130-I134 VanDerWaalsContact O-N 3.08Å
131V92.7Very high89Confident39 Ų3968.4 Ų68.424%0.23632%0.322CS..Hα-helixtrans-60.2-45174.1170.10000110.9I109 L112 R127 R128 D129 E133 I134 Q135I109-V131 HydrophobicContact CD1-CB 4.42Å; I109-V131 HydrophobicContact CD1-CG1 3.95Å; I109-V131 HydrophobicContact CD1-CG2 4.43Å; L112-V131 HydrophobicContact CB-CG2 4.42Å; L112-V131 HydrophobicContact CD1-CG2 3.67Å; R127-V131 VanDerWaalsContact O-CG2 3.31Å; R127-V131 WeakPolarHBondContact O-CG2 3.35Å; R127-V131 PolarHBondContact O-N 2.77Å; R128-V131 PolarHBondContact O-N 2.95Å; D129-V131 PolarHBondContact O-N 3.33Å; V131-E133 PolarHBondContact O-N 2.78Å; V131-I134 PolarHBondContact O-N 3.06Å; V131-Q135 HydrophobicContact CG1-CG 4.25Å; V131-Q135 WeakPolarHBondContact O-CB 3.37Å; V131-Q135 WeakPolarHBondContact O-CG 3.43Å; V131-Q135 PolarHBondContact O-N 3.07Å
132K93.8Very high89.6Confident130 Ų13064.7 Ų64.757%0.56531%0.306SS*.Hα-helixtrans-61.1-43.5178.2-74.9177.1-179.2176.30112.2R128 D129 A130 I134 Q135 Q136R128-K132 WeakPolarHBondContact O-CG 3.41Å; R128-K132 PolarHBondContact O-N 3.12Å; D129-K132 WeakPolarHBondContact O-CB 3.49Å; D129-K132 PolarHBondContact O-N 3.48Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.28Å; K132-I134 PolarHBondContact O-N 2.82Å; K132-Q135 PolarHBondContact O-N 3.1Å; K132-Q136 WeakPolarHBondContact O-CB 3.45Å; K132-Q136 PolarHBondContact O-N 3.07Å
133E93.4Very high90Very high52 Ų5266.7 Ų66.724%0.24331%0.307CS..Hα-helixtrans-61.6-45.5179.4-160.8122.1149.500110.8M76 R80 D129 A130 V131 Q136 L137M76-E133 HydrophobicContact SD-CB 4.47Å; R80-E133 IonicContact NE-OE1 3.93Å; D129-E133 PolarHBondContact O-N 2.85Å; A130-E133 PolarHBondContact O-N 3.02Å; V131-E133 PolarHBondContact O-N 2.78Å; E133-Q136 PolarHBondContact O-N 2.76Å; E133-L137 WeakPolarHBondContact O-CG 3.42Å; E133-L137 PolarHBondContact O-N 3.47Å; E133-L137 VanDerWaalsContact O-N 3.14Å
134I93.5Very high90.3Very high0 Ų069.8 Ų69.80%032%0.318CS..Hα-helixtrans-65.7-42.1177.3-60.8157.5000111.3V75 A79 L105 L108 I109 L112 A130 V131 K132 Q136 L137 I138V75-I134 HydrophobicContact CG1-CD1 3.7Å; A79-I134 HydrophobicContact CB-CG1 4.02Å; L105-I134 HydrophobicContact CB-CG2 3.87Å; L105-I134 HydrophobicContact CD2-CG2 3.96Å; L105-I134 HydrophobicContact CG-CG2 4.5Å; L105-I134 WeakPolarHBondContact O-CG2 3.31Å; L108-I134 HydrophobicContact CB-CD1 3.53Å; L108-I134 HydrophobicContact CB-CG1 4.24Å; L108-I134 HydrophobicContact CD1-CD1 4.42Å; L108-I134 HydrophobicContact CD1-CG1 4.33Å; I109-I134 HydrophobicContact CD1-CB 3.97Å; I109-I134 HydrophobicContact CD1-CD1 4.3Å; I109-I134 HydrophobicContact CD1-CG2 3.87Å; I109-I134 HydrophobicContact CG1-CB 4.22Å; I109-I134 HydrophobicContact CG1-CD1 4.27Å; I109-I134 HydrophobicContact CG1-CG2 3.63Å; L112-I134 HydrophobicContact CD1-CD1 3.85Å; A130-I134 WeakPolarHBondContact O-CD1 3.47Å; A130-I134 VanDerWaalsContact O-CG1 3.28Å; A130-I134 WeakPolarHBondContact O-CG1 3.19Å; A130-I134 PolarHBondContact O-N 3.42Å; A130-I134 VanDerWaalsContact O-N 3.08Å; V131-I134 PolarHBondContact O-N 3.06Å; K132-I134 PolarHBondContact O-N 2.82Å; I134-Q136 VanDerWaalsContact C-N 3.33Å; I134-Q136 PolarHBondContact O-N 2.85Å; I134-L137 WeakPolarHBondContact O-CB 3.28Å; I134-L137 PolarHBondContact O-N 3.19Å; I134-L137 VanDerWaalsContact O-N 3.15Å; I134-I138 HydrophobicContact CG2-CD1 4.25Å; I134-I138 WeakPolarHBondContact O-CG1 3.34Å; I134-I138 PolarHBondContact O-N 2.92Å
135Q93.8Very high90.5Very high105 Ų10565.3 Ų65.349%0.49130%0.302SS..Hα-helixtrans-62.1-40.6177.1-77.1-171.1-3800112.1I109 V131 K132 L137 I138 E139I109-Q135 HydrophobicContact CD1-CG 4.24Å; V131-Q135 HydrophobicContact CG1-CG 4.25Å; V131-Q135 WeakPolarHBondContact O-CB 3.37Å; V131-Q135 WeakPolarHBondContact O-CG 3.43Å; V131-Q135 PolarHBondContact O-N 3.07Å; K132-Q135 PolarHBondContact O-N 3.1Å; Q135-L137 PolarHBondContact O-N 3.04Å; Q135-I138 PolarHBondContact O-N 3.25Å; Q135-E139 PolarHBondContact O-N 3.43Å
136Q94.2Very high90.5Very high123 Ų12368.7 Ų68.758%0.57532%0.316SS*.Hα-helixtrans-62.7-34.5175.6-172.3172.6200111.8K132 E133 I134 M140K132-Q136 WeakPolarHBondContact O-CB 3.45Å; K132-Q136 PolarHBondContact O-N 3.07Å; E133-Q136 PolarHBondContact O-N 2.76Å; I134-Q136 VanDerWaalsContact C-N 3.33Å; I134-Q136 PolarHBondContact O-N 2.85Å; Q136-M140 WeakPolarHBondContact O-CB 3.41Å; Q136-M140 PolarHBondContact O-N 2.75Å
137L92.8Very high90.4Very high11 Ų1169.2 Ų69.26%0.05832%0.319CS..Hα-helixtrans-68.9-39.4174.7-69.9173.6000113A79 Q83 I86 L105 E133 I134 Q135 M140 L141A79-L137 HydrophobicContact CB-CD1 4.12Å; A79-L137 WeakPolarHBondContact O-CD1 3.4Å; Q83-L137 HydrophobicContact CB-CD2 4.15Å; Q83-L137 HydrophobicContact CG-CD1 4.25Å; Q83-L137 HydrophobicContact CG-CD2 3.15Å; Q83-L137 HydrophobicContact CG-CG 4.22Å; I86-L137 HydrophobicContact CD1-CB 3.75Å; I86-L137 HydrophobicContact CD1-CD1 4.37Å; I86-L137 HydrophobicContact CD1-CD2 3.87Å; I86-L137 HydrophobicContact CD1-CG 4.2Å; L105-L137 HydrophobicContact CD1-CB 4.14Å; L105-L137 HydrophobicContact CD2-CB 3.86Å; L105-L137 HydrophobicContact CD2-CD1 3.86Å; E133-L137 WeakPolarHBondContact O-CG 3.42Å; E133-L137 PolarHBondContact O-N 3.47Å; E133-L137 VanDerWaalsContact O-N 3.14Å; I134-L137 WeakPolarHBondContact O-CB 3.28Å; I134-L137 PolarHBondContact O-N 3.19Å; I134-L137 VanDerWaalsContact O-N 3.15Å; Q135-L137 PolarHBondContact O-N 3.04Å; L137-M140 PolarHBondContact O-N 2.8Å; L137-L141 VanDerWaalsContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 PolarHBondContact O-N 2.75Å
138I92.8Very high89.9Confident35 Ų3566.7 Ų66.718%0.17931%0.312CS..Hα-helixtrans-61.1-48.9174.1-65.7169.3000109.7M102 L105 I134 Q135 M140 L141 D142M102-I138 HydrophobicContact CE-CG2 4Å; M102-I138 HydrophobicContact SD-CG1 4.23Å; M102-I138 HydrophobicContact SD-CG2 3.94Å; L105-I138 HydrophobicContact CB-CD1 4.26Å; L105-I138 HydrophobicContact CB-CG1 3.94Å; L105-I138 HydrophobicContact CD1-CG1 3.73Å; L105-I138 HydrophobicContact CG-CG1 4.41Å; I134-I138 HydrophobicContact CG2-CD1 4.25Å; I134-I138 WeakPolarHBondContact O-CG1 3.34Å; I134-I138 PolarHBondContact O-N 2.92Å; Q135-I138 PolarHBondContact O-N 3.25Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.48Å; I138-L141 PolarHBondContact O-N 3.24Å; I138-D142 PolarHBondContact O-N 3.18Å
139E92.5Very high89.2Confident143 Ų14364 Ų6467%0.66831%0.312SS*.Hα-helixtrans-59.8-42.6176.9-76.2-176.9-178.700112.3Q135 D142 Y143Q135-E139 PolarHBondContact O-N 3.43Å; E139-D142 PolarHBondContact O-N 3.28Å; E139-Y143 WeakPolarHBondContact O-CB 3.47Å; E139-Y143 PolarHBondContact O-N 3.48Å
140M90Very high88.1Confident70 Ų7067.1 Ų67.135%0.34532%0.324SS..Hα-helixtrans-64.1-41.4177.4-170.163.663.400111.9I86 Q136 L137 I138 Y143 R144I86-M140 HydrophobicContact CG2-CB 4.33Å; I86-M140 HydrophobicContact CG2-CG 4.23Å; Q136-M140 WeakPolarHBondContact O-CB 3.41Å; Q136-M140 PolarHBondContact O-N 2.75Å; L137-M140 PolarHBondContact O-N 2.8Å; I138-M140 VanDerWaalsContact C-N 3.33Å; I138-M140 PolarHBondContact O-N 3.48Å; M140-Y143 PolarHBondContact O-N 3.05Å; M140-R144 WeakPolarHBondContact O-CB 3.44Å; M140-R144 WeakPolarHBondContact O-CG 2.91Å; M140-R144 PolarHBondContact O-N 2.97Å
141L90.7Very high86.7Confident0 Ų072.3 Ų72.30%035%0.352CS..Hα-helixtrans-63.8-45.5177.4-177.967.9000111I86 F89 Y98 L101 M102 L105 L137 I138 R144 S145I86-L141 HydrophobicContact CG1-CD1 4.34Å; I86-L141 HydrophobicContact CG2-CB 3.9Å; I86-L141 HydrophobicContact CG2-CD1 4.11Å; F89-L141 HydrophobicContact CB-CD1 4.37Å; F89-L141 HydrophobicContact CD1-CD1 3.59Å; F89-L141 HydrophobicContact CE1-CD1 4Å; F89-L141 HydrophobicContact CG-CD1 3.92Å; Y98-L141 HydrophobicContact CD2-CD1 3.98Å; Y98-L141 HydrophobicContact CD2-CD2 3.78Å; Y98-L141 HydrophobicContact CD2-CG 3.58Å; Y98-L141 HydrophobicContact CE2-CD2 3.84Å; Y98-L141 HydrophobicContact CE2-CG 3.65Å; Y98-L141 HydrophobicContact CG-CD2 4.42Å; L101-L141 HydrophobicContact CB-CD1 4.41Å; L101-L141 HydrophobicContact CB-CD2 3.86Å; L101-L141 HydrophobicContact CD1-CD1 3.82Å; M102-L141 HydrophobicContact CB-CD2 4.45Å; L105-L141 HydrophobicContact CD1-CD2 4.38Å; L137-L141 VanDerWaalsContact O-CB 3.27Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 PolarHBondContact O-N 2.75Å; I138-L141 PolarHBondContact O-N 3.24Å; L141-R144 PolarHBondContact O-N 2.81Å; L141-S145 WeakPolarHBondContact O-CB 3.37Å; L141-S145 PolarHBondContact O-N 3.23Å
142D90.3Very high85.1Confident62 Ų6276.5 Ų76.533%0.33237%0.373SS..Hα-helixtrans-60.8-46.2176-81-9.8000111.7Y98 I138 E139 R144 S145 L146Y98-D142 WeakPolarHBondContact CE2-OD1 3.45Å; Y98-D142 PolarHBondContact OH-OD1 3.31Å; I138-D142 PolarHBondContact O-N 3.18Å; E139-D142 PolarHBondContact O-N 3.28Å; D142-R144 PolarHBondContact O-N 3.21Å; D142-S145 WeakPolarHBondContact O-CB 3.46Å; D142-S145 PolarHBondContact O-N 3.38Å; D142-L146 WeakPolarHBondContact O-CB 3.23Å; D142-L146 PolarHBondContact O-N 2.83Å
143Y88.9Confident83.4Confident151 Ų15179 Ų7959%0.59239%0.387SS*.Hα-helixtrans-60.7-45.5178-179.9-111.5000112.1E139 M140 L146 I147E139-Y143 WeakPolarHBondContact O-CB 3.47Å; E139-Y143 PolarHBondContact O-N 3.48Å; M140-Y143 PolarHBondContact O-N 3.05Å; Y143-L146 WeakPolarHBondContact O-CB 3.4Å; Y143-L146 PolarHBondContact O-N 2.61Å; Y143-I147 HydrophobicContact CD1-CD1 3.68Å; Y143-I147 HydrophobicContact CD2-CD1 4.5Å; Y143-I147 HydrophobicContact CE1-CD1 3.26Å; Y143-I147 HydrophobicContact CE1-CG1 4.34Å; Y143-I147 HydrophobicContact CE2-CD1 4.14Å; Y143-I147 HydrophobicContact CE2-CG1 4.42Å; Y143-I147 HydrophobicContact CG-CD1 4.29Å; Y143-I147 WeakPolarHBondContact O-CG1 3.39Å; Y143-I147 PolarHBondContact O-N 2.83Å
144R86.2Confident81.6Confident70 Ų7085.8 Ų85.826%0.26442%0.415SS..Hα-helixtrans-64.3-42.7177.3-77.5176.1167.6-93.52.7112.7I86 D87 F89 M140 L141 D142 L146 I147 S148I86-R144 WeakPolarHBondContact O-CD 3.42Å; I86-R144 PolarHBondContact O-NE 2.82Å; D87-R144 VanDerWaalsContact C-CZ 3.44Å; D87-R144 VanDerWaalsContact CA-CZ 3.48Å; D87-R144 VanDerWaalsContact CA-NH2 3.35Å; D87-R144 PolarHBondContact O-NH1 3.34Å; D87-R144 PolarHBondContact O-NH2 3.4Å; D87-R144 IonicContact OD1-CZ 3.62Å; D87-R144 IonicContact OD1-NE 3.47Å; D87-R144 IonicContact OD1-NH2 2.85Å; D87-R144 PolarHBondContact OD1-NH2 3.37Å; F89-R144 HydrophobicContact CD1-CB 4.4Å; F89-R144 PolarHBondContact O-NH1 2.89Å; M140-R144 WeakPolarHBondContact O-CB 3.44Å; M140-R144 WeakPolarHBondContact O-CG 2.91Å; M140-R144 PolarHBondContact O-N 2.97Å; L141-R144 PolarHBondContact O-N 2.81Å; D142-R144 PolarHBondContact O-N 3.21Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 2.74Å; R144-I147 PolarHBondContact O-N 2.81Å; R144-S148 PolarHBondContact O-N 3.19Å
145S86.2Confident79.4Confident4 Ų494.1 Ų94.13%0.02847%0.473CS..Hα-helixtrans-59.8-41.3174.7166.40000111.6P93 L141 D142 S148 S149P93-S145 WeakPolarHBondContact CA-OG 3.26Å; P93-S145 WeakPolarHBondContact CB-OG 3.28Å; P93-S145 WeakPolarHBondContact CD-OG 3.39Å; P93-S145 WeakPolarHBondContact CG-OG 3.47Å; P93-S145 VanDerWaalsContact N-OG 3.13Å; L141-S145 WeakPolarHBondContact O-CB 3.37Å; L141-S145 PolarHBondContact O-N 3.23Å; D142-S145 WeakPolarHBondContact O-CB 3.46Å; D142-S145 PolarHBondContact O-N 3.38Å; S145-S148 PolarHBondContact O-N 3.48Å; S145-S149 PolarHBondContact O-N 3.1Å
146L85.1Confident78.7Confident113 Ų11393.6 Ų93.659%0.59247%0.472SS*.Hα-helixtrans-62.4-48.1176.2-135.390.4000111.6D142 Y143 R144 S148 S149 E150D142-L146 WeakPolarHBondContact O-CB 3.23Å; D142-L146 PolarHBondContact O-N 2.83Å; Y143-L146 WeakPolarHBondContact O-CB 3.4Å; Y143-L146 PolarHBondContact O-N 2.61Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 2.74Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 3.35Å; L146-S149 PolarHBondContact O-N 3.27Å; L146-S149 VanDerWaalsContact O-N 3.13Å; L146-E150 PolarHBondContact O-N 3.01Å; L146-E150 VanDerWaalsContact O-N 3.12Å
147I84Confident77.9Confident73 Ų7392 Ų9237%0.37447%0.467SS..Hα-helixtrans-58.7-42.8178.9-67.7161.3000110.8Y143 R144 S149 E150 N151Y143-I147 HydrophobicContact CD1-CD1 3.68Å; Y143-I147 HydrophobicContact CD2-CD1 4.5Å; Y143-I147 HydrophobicContact CE1-CD1 3.26Å; Y143-I147 HydrophobicContact CE1-CG1 4.34Å; Y143-I147 HydrophobicContact CE2-CD1 4.14Å; Y143-I147 HydrophobicContact CE2-CG1 4.42Å; Y143-I147 HydrophobicContact CG-CD1 4.29Å; Y143-I147 WeakPolarHBondContact O-CG1 3.39Å; Y143-I147 PolarHBondContact O-N 2.83Å; R144-I147 PolarHBondContact O-N 2.81Å; I147-S149 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.4Å; I147-E150 PolarHBondContact O-N 2.93Å; I147-N151 PolarHBondContact O-ND2 2.77Å
148S78Confident77.1Confident18 Ų1896.5 Ų96.513%0.12649%0.49CS..Hα-helixtrans-62.1-40.1179.3-165.60000111.4R144 S145 L146R144-S148 PolarHBondContact O-N 3.19Å; S145-S148 PolarHBondContact O-N 3.48Å; L146-S148 VanDerWaalsContact C-N 3.28Å; L146-S148 PolarHBondContact O-N 3.35Å
149S72.4Confident76.1Confident64 Ų64100.1 Ų100.145%0.44851%0.508SS..Hα-helixtrans-71.1-28.6-179.4-159.40000113.5S145 L146 I147 N151S145-S149 PolarHBondContact O-N 3.1Å; L146-S149 PolarHBondContact O-N 3.27Å; L146-S149 VanDerWaalsContact O-N 3.13Å; I147-S149 VanDerWaalsContact C-N 3.29Å; I147-S149 PolarHBondContact O-N 3.4Å; S149-N151 VanDerWaalsContact C-N 3.32Å
150E67.8Low75.1Confident147 Ų14797.4 Ų97.469%0.68750%0.498SS*.Hα-helixtrans-76.4-20.3-178.8-154.6166.2118.800112.7L146 I147L146-E150 PolarHBondContact O-N 3.01Å; L146-E150 VanDerWaalsContact O-N 3.12Å; I147-E150 PolarHBondContact O-N 2.93Å
151N61.1Low74.1Confident109 Ų10999.3 Ų99.358%0.58351%0.508SS*.Hα-helixtrans-76.3-25.7177.8-76.3-73.4000113.5I147 S149I147-N151 PolarHBondContact O-ND2 2.77Å; S149-N151 VanDerWaalsContact C-N 3.32Å
152D59.1Low72.9Confident127 Ų127106.4 Ų106.468%0.67954%0.544SS*.Hα-helixtrans-75-23.7178.6-77.1-58.1000112.9K154D152-K154 VanDerWaalsContact C-N 3.31Å; D152-K154 PolarHBondContact O-N 3.26Å
153E58.1Low71.6Confident183 Ų183109.8 Ų109.886%0.85556%0.561SS**THydrogen-bonded Turntrans-84.4-1.1-175.7-156.8160.8112.600113.9
154K57.1Low70.2Confident194 Ų194106.3 Ų106.384%0.84356%0.558SS**THydrogen-bonded Turntrans-1156.7-177.1-144.9-177.3-175.1179.10115.7D152D152-K154 VanDerWaalsContact C-N 3.31Å; D152-K154 PolarHBondContact O-N 3.26Å
155S46.9Very low68.7Low174 Ų174109.6 Ų109.6100%1.21759%0.585SS**  trans-103.70173.5-68.40000112

Retrieved 155 of 155 residues in 60.8 ms (Link to these results)

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