A0A077YVL4_TRITR Loading...

TGF-beta receptor type III

AlphaFold DB , UniProt , Accession A0A077YVL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 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
1M88.4Confident87.6Confident49 Ų4958 Ų5824%0.24129%0.287CS..  0133.10175.7-173.9155.500108.1I3 V28 D29 V30 L114 V191M1-I3 HydrophobicContact CE-CD1 4.49Å; M1-I3 HydrophobicContact CE-CG1 4.35Å; M1-V28 HydrophobicContact CE-CG1 3.86Å; M1-V28 HydrophobicContact CG-CG1 4.08Å; M1-D29 CarbonylContact C-O 3.58Å; M1-D29 WeakPolarHBondContact CA-O 3.49Å; M1-V30 HydrophobicContact CB-CG2 4.29Å; M1-V30 HydrophobicContact CG-CG2 4.11Å; M1-L114 HydrophobicContact CE-CB 3.94Å; M1-L114 HydrophobicContact CE-CD2 3.35Å; M1-L114 HydrophobicContact CE-CG 3.54Å; M1-V191 HydrophobicContact CB-CB 4.04Å; M1-V191 HydrophobicContact CB-CG2 3.9Å; M1-V191 HydrophobicContact CG-CG2 4.44Å; M1-V191 HydrophobicContact SD-CB 4.41Å; M1-V191 HydrophobicContact SD-CG2 3.92Å
2Q90.4Very high87.7Confident32 Ų3255.1 Ų55.115%0.1528%0.275CS..EExtended strand (participates in β ladder)trans-142.9146.5-178.4-167159.333.800109.7Y4 P12 V28 D29 F31Q2-Y4 HydrophobicContact CB-CE2 3.83Å; Q2-Y4 HydrophobicContact CG-CE2 3.93Å; Q2-Y4 PolarHBondContact OE1-OH 3.48Å; Q2-P12 HydrophobicContact CG-CB 3.51Å; Q2-V28 WeakPolarHBondContact O-CA 3.39Å; Q2-D29 PolarHBondContact N-O 3.45Å; Q2-D29 PolarHBondContact O-N 2.87Å; Q2-F31 HydrophobicContact CB-CE1 3.9Å
3I91.5Very high87.8Confident4 Ų452.2 Ų52.22%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-109.2141.4178.5-54.2176.3000107.8M1 P12 W13 I26 F27 V28 L114 L196M1-I3 HydrophobicContact CE-CD1 4.49Å; M1-I3 HydrophobicContact CE-CG1 4.35Å; I3-P12 CarbonylContact O-C 3.53Å; I3-P12 WeakPolarHBondContact O-CA 3.38Å; I3-W13 HydrophobicContact CB-CD2 4.16Å; I3-W13 HydrophobicContact CB-CE3 3.84Å; I3-W13 HydrophobicContact CB-CG 4.49Å; I3-W13 HydrophobicContact CB-CZ3 4.42Å; I3-W13 HydrophobicContact CD1-CE3 4.26Å; I3-W13 HydrophobicContact CD1-CZ3 4.41Å; I3-W13 HydrophobicContact CG2-CD2 3.77Å; I3-W13 HydrophobicContact CG2-CE3 3.45Å; I3-W13 VanDerWaalsContact CG2-CE3 3.45Å; I3-W13 HydrophobicContact CG2-CG 4.47Å; I3-W13 HydrophobicContact CG2-CH2 4.11Å; I3-W13 HydrophobicContact CG2-CZ2 4.36Å; I3-W13 HydrophobicContact CG2-CZ3 3.62Å; I3-W13 PolarHBondContact O-N 3.31Å; I3-I26 HydrophobicContact CG2-CB 4.08Å; I3-I26 HydrophobicContact CG2-CD1 4.49Å; I3-F27 CarbonylContact C-O 3.58Å; I3-F27 WeakPolarHBondContact CA-O 3.38Å; I3-V28 HydrophobicContact CG1-CG2 4.38Å; I3-L114 HydrophobicContact CD1-CD2 4.44Å; I3-L196 HydrophobicContact CD1-CD1 4.4Å; I3-L196 HydrophobicContact CD1-CD2 4.23Å
4Y91Very high87.7Confident20 Ų2056.8 Ų56.88%0.07828%0.284CS..EExtended strand (participates in β ladder)trans-127.7152.6-177.2-58.9-98.9000110.2Q2 N6 F9 N11 P12 F27 D29Q2-Y4 HydrophobicContact CB-CE2 3.83Å; Q2-Y4 HydrophobicContact CG-CE2 3.93Å; Q2-Y4 PolarHBondContact OE1-OH 3.48Å; Y4-N6 VanDerWaalsContact C-N 3.34Å; Y4-F9 HydrophobicContact CD1-CB 4.17Å; Y4-F9 WeakPolarHBondContact CD1-O 3.34Å; Y4-F9 HydrophobicContact CD2-CB 4.22Å; Y4-F9 AromaticContact CD2-CD1 3.62Å; Y4-F9 HydrophobicContact CD2-CD1 3.62Å; Y4-F9 HydrophobicContact CD2-CG 4.38Å; Y4-F9 HydrophobicContact CE1-CB 4.19Å; Y4-F9 WeakPolarHBondContact CE1-O 3.25Å; Y4-F9 HydrophobicContact CE2-CB 4.26Å; Y4-F9 AromaticContact CE2-CD1 3.95Å; Y4-F9 HydrophobicContact CE2-CD1 3.95Å; Y4-F9 HydrophobicContact CG-CB 4.17Å; Y4-F9 HydrophobicContact CG-CD1 4.17Å; Y4-N11 WeakPolarHBondContact CA-O 3.39Å; Y4-P12 HydrophobicContact CD1-CB 3.99Å; Y4-P12 HydrophobicContact CE1-CB 3.73Å; Y4-P12 HydrophobicContact CE1-CG 4.3Å; Y4-F27 PolarHBondContact N-O 3.08Å; Y4-F27 PolarHBondContact O-N 3.31Å; Y4-F27 VanDerWaalsContact O-N 3.09Å; Y4-D29 HydrophobicContact CD2-CB 4.32Å; Y4-D29 HydrophobicContact CE2-CB 3.56Å
5D88Confident87.6Confident67 Ų6764.4 Ų64.436%0.35832%0.315SS..SBendtrans-82.4-11.717866.85.3000114N11D5-N11 PolarHBondContact N-O 3.43Å; D5-N11 WeakPolarHBondContact OD1-CB 3.36Å; D5-N11 PolarHBondContact OD2-ND2 3.03Å
6N87.7Confident87.4Confident31 Ų3164.3 Ų64.317%0.16631%0.312CS..SBendtrans-140.1159.6-170.570.358.1000112.9Y4 W8 F9 S10 F27Y4-N6 VanDerWaalsContact C-N 3.34Å; N6-W8 PolarHBondContact O-N 3Å; N6-W8 WeakPolarHBondContact OD1-CA 3.36Å; N6-W8 VanDerWaalsContact OD1-CB 3.3Å; N6-W8 WeakPolarHBondContact OD1-CB 3.49Å; N6-W8 PolarHBondContact OD1-N 3.09Å; N6-F9 PolarHBondContact O-N 3.43Å; N6-F9 PolarHBondContact OD1-N 3.35Å; N6-F9 VanDerWaalsContact OD1-N 3.11Å; N6-S10 PolarHBondContact ND2-OG 3.32Å; N6-S10 PolarHBondContact OD1-N 3.12Å; N6-S10 PolarHBondContact OD1-OG 3.01Å; N6-F27 VanDerWaalsContact C-CE2 3.46Å; N6-F27 WeakPolarHBondContact O-CB 3.38Å; N6-F27 VanDerWaalsContact O-CD2 3.3Å; N6-F27 WeakPolarHBondContact O-CD2 3.4Å; N6-F27 VanDerWaalsContact O-CG 3.25Å; N6-F27 WeakPolarHBondContact O-CG 3.41Å
7Q86.4Confident87.3Confident91 Ų9165.2 Ų65.243%0.42532%0.324SS..THydrogen-bonded Turntrans-68-12.4-177.968.9-174.811.500114.7F9 F27Q7-F9 WeakPolarHBondContact O-CD2 3.46Å; Q7-F9 WeakPolarHBondContact O-CE2 3.22Å; Q7-F27 VanDerWaalsContact CA-CE1 3.41Å; Q7-F27 HydrophobicContact CB-CD1 4.09Å; Q7-F27 HydrophobicContact CB-CE1 3.46Å; Q7-F27 VanDerWaalsContact CB-CE1 3.46Å; Q7-F27 HydrophobicContact CB-CE2 4.45Å; Q7-F27 HydrophobicContact CB-CZ 3.66Å
8W84.5Confident87.2Confident149 Ų14964.6 Ų64.656%0.56432%0.32SS*.THydrogen-bonded Turntrans-89.9-6.7-177.5-38.9101.3000112.2N6 S10 G159N6-W8 PolarHBondContact O-N 3Å; N6-W8 WeakPolarHBondContact OD1-CA 3.36Å; N6-W8 VanDerWaalsContact OD1-CB 3.3Å; N6-W8 WeakPolarHBondContact OD1-CB 3.49Å; N6-W8 PolarHBondContact OD1-N 3.09Å; W8-S10 PolarHBondContact O-N 3.35Å; W8-G159 VanDerWaalsContact CZ3-O 3.3Å; W8-G159 WeakPolarHBondContact CZ3-O 3.45Å
9F84.3Confident87.1Confident29 Ų2964.1 Ų64.113%0.12733%0.328CS..SBendtrans56.336.1-178.1-55.9-94.7000112.5Y4 N6 Q7 F27 D29 R97Y4-F9 HydrophobicContact CD1-CB 4.17Å; Y4-F9 WeakPolarHBondContact CD1-O 3.34Å; Y4-F9 HydrophobicContact CD2-CB 4.22Å; Y4-F9 AromaticContact CD2-CD1 3.62Å; Y4-F9 HydrophobicContact CD2-CD1 3.62Å; Y4-F9 HydrophobicContact CD2-CG 4.38Å; Y4-F9 HydrophobicContact CE1-CB 4.19Å; Y4-F9 WeakPolarHBondContact CE1-O 3.25Å; Y4-F9 HydrophobicContact CE2-CB 4.26Å; Y4-F9 AromaticContact CE2-CD1 3.95Å; Y4-F9 HydrophobicContact CE2-CD1 3.95Å; Y4-F9 HydrophobicContact CG-CB 4.17Å; Y4-F9 HydrophobicContact CG-CD1 4.17Å; N6-F9 PolarHBondContact O-N 3.43Å; N6-F9 PolarHBondContact OD1-N 3.35Å; N6-F9 VanDerWaalsContact OD1-N 3.11Å; Q7-F9 WeakPolarHBondContact O-CD2 3.46Å; Q7-F9 WeakPolarHBondContact O-CE2 3.22Å; F9-F27 HydrophobicContact CD1-CB 4.34Å; F9-F27 HydrophobicContact CE1-CB 3.85Å; F9-F27 HydrophobicContact CZ-CB 4.12Å; F9-F27 HydrophobicContact CZ-CD1 4.41Å; F9-D29 HydrophobicContact CD1-CB 3.88Å; F9-D29 HydrophobicContact CE1-CB 4.25Å; F9-R97 HydrophobicContact CD1-CG 4.27Å; F9-R97 HydrophobicContact CE1-CB 3.9Å; F9-R97 HydrophobicContact CE1-CG 3.74Å; F9-R97 HydrophobicContact CE2-CB 4.37Å; F9-R97 HydrophobicContact CE2-CG 4.31Å; F9-R97 HydrophobicContact CZ-CB 3.63Å; F9-R97 HydrophobicContact CZ-CG 3.79Å
10S84.7Confident87Confident83 Ų8361.2 Ų61.258%0.5831%0.313SS*.  trans-96.1-35.7-176.360.60000114N6 W8 P12N6-S10 PolarHBondContact ND2-OG 3.32Å; N6-S10 PolarHBondContact OD1-N 3.12Å; N6-S10 PolarHBondContact OD1-OG 3.01Å; W8-S10 PolarHBondContact O-N 3.35Å; S10-P12 WeakPolarHBondContact O-CD 3.4Å
11N86.9Confident86.9Confident83 Ų8364.9 Ų64.944%0.44432%0.323SS..SBendtrans-112.192.7-174.9-170.824.1000111.5Y4 D5Y4-N11 WeakPolarHBondContact CA-O 3.39Å; D5-N11 PolarHBondContact N-O 3.43Å; D5-N11 WeakPolarHBondContact OD1-CB 3.36Å; D5-N11 PolarHBondContact OD2-ND2 3.03Å
12P89.3Confident86.7Confident23 Ų2365.6 Ų65.615%0.14933%0.327CS..BIsolated β-bridgetrans-75.6148.7-178.829.9-34.7000112.6Q2 I3 Y4 S10 L14 A168Q2-P12 HydrophobicContact CG-CB 3.51Å; I3-P12 CarbonylContact O-C 3.53Å; I3-P12 WeakPolarHBondContact O-CA 3.38Å; Y4-P12 HydrophobicContact CD1-CB 3.99Å; Y4-P12 HydrophobicContact CE1-CB 3.73Å; Y4-P12 HydrophobicContact CE1-CG 4.3Å; S10-P12 WeakPolarHBondContact O-CD 3.4Å; P12-L14 HydrophobicContact CB-CD2 4.4Å; P12-L14 HydrophobicContact CG-CD2 4.11Å; P12-L14 HydrophobicContact CG-CG 4.46Å; P12-L14 PolarHBondContact O-N 3.36Å; P12-A168 HydrophobicContact CG-CB 4.11Å
13W88.6Confident86.4Confident18 Ų1865.2 Ų65.27%0.06833%0.331CS..  trans-75.4111.1170.3-66.4-1.5000110.4I3 H18 L20 I26 L196I3-W13 HydrophobicContact CB-CD2 4.16Å; I3-W13 HydrophobicContact CB-CE3 3.84Å; I3-W13 HydrophobicContact CB-CG 4.49Å; I3-W13 HydrophobicContact CB-CZ3 4.42Å; I3-W13 HydrophobicContact CD1-CE3 4.26Å; I3-W13 HydrophobicContact CD1-CZ3 4.41Å; I3-W13 HydrophobicContact CG2-CD2 3.77Å; I3-W13 HydrophobicContact CG2-CE3 3.45Å; I3-W13 VanDerWaalsContact CG2-CE3 3.45Å; I3-W13 HydrophobicContact CG2-CG 4.47Å; I3-W13 HydrophobicContact CG2-CH2 4.11Å; I3-W13 HydrophobicContact CG2-CZ2 4.36Å; I3-W13 HydrophobicContact CG2-CZ3 3.62Å; I3-W13 PolarHBondContact O-N 3.31Å; W13-H18 AromaticContact CD1-CE1 3.84Å; W13-H18 HydrophobicContact CD2-CB 4.31Å; W13-H18 AromaticContact CD2-CD2 3.61Å; W13-H18 AromaticContact CD2-CE1 3.86Å; W13-H18 AromaticContact CD2-CG 3.65Å; W13-H18 AromaticContact CD2-ND1 3.81Å; W13-H18 AromaticContact CD2-NE2 3.77Å; W13-H18 AromaticContact CE2-CD2 3.45Å; W13-H18 VanDerWaalsContact CE2-CD2 3.45Å; W13-H18 AromaticContact CE2-CE1 3.78Å; W13-H18 AromaticContact CE2-CG 3.99Å; W13-H18 AromaticContact CE2-NE2 3.32Å; W13-H18 VanDerWaalsContact CE2-NE2 3.32Å; W13-H18 HydrophobicContact CE3-CB 3.76Å; W13-H18 AromaticContact CE3-CD2 3.68Å; W13-H18 AromaticContact CE3-CG 3.58Å; W13-H18 AromaticContact CG-CE1 3.9Å; W13-H18 AromaticContact CG-ND1 3.9Å; W13-H18 AromaticContact CH2-CD2 3.41Å; W13-H18 VanDerWaalsContact CH2-CD2 3.41Å; W13-H18 WeakPolarHBondContact CH2-CD2 3.41Å; W13-H18 AromaticContact CZ2-CD2 3.36Å; W13-H18 WeakPolarHBondContact CZ2-CD2 3.06Å; W13-H18 AromaticContact CZ2-NE2 3.49Å; W13-H18 WeakPolarHBondContact CZ2-NE2 3.49Å; W13-H18 HydrophobicContact CZ3-CB 3.94Å; W13-H18 AromaticContact CZ3-CD2 3.6Å; W13-H18 AromaticContact CZ3-CG 3.84Å; W13-H18 AromaticContact NE1-CE1 3.76Å; W13-H18 AromaticContact NE1-NE2 3.58Å; W13-L20 HydrophobicContact CH2-CD1 4.31Å; W13-I26 HydrophobicContact CH2-CB 4.31Å; W13-I26 HydrophobicContact CH2-CG2 3.39Å; W13-I26 HydrophobicContact CZ2-CG2 3.91Å; W13-I26 HydrophobicContact CZ3-CG2 4.22Å; W13-L196 HydrophobicContact CE3-CD2 4.04Å; W13-L196 HydrophobicContact CZ3-CD2 3.57Å
14L86.5Confident86.2Confident116 Ų11667.7 Ų67.761%0.60734%0.343SS*.  trans-99.2-16.8-179.4-57.8176.2000113.4P12 A168P12-L14 HydrophobicContact CB-CD2 4.4Å; P12-L14 HydrophobicContact CG-CD2 4.11Å; P12-L14 HydrophobicContact CG-CG 4.46Å; P12-L14 PolarHBondContact O-N 3.36Å; L14-A168 HydrophobicContact CD2-CB 3.49Å; L14-A168 VanDerWaalsContact CD2-CB 3.49Å
15K85.9Confident86.1Confident171 Ų17169.2 Ų69.274%0.74335%0.349SS*.SBendtrans-122.4130.9-175.1-170.7174.4-179.7177.60111
16F84.5Confident86.3Confident62 Ų6266 Ų6627%0.27233%0.332SS..SBendtrans-122.4154.1175.8-66.2-82.5000110.5H18 P195 L196F16-H18 HydrophobicContact CD1-CB 4.33Å; F16-P195 HydrophobicContact CB-CG 4.1Å; F16-P195 WeakPolarHBondContact CD1-O 3.22Å; F16-L196 HydrophobicContact CD1-CD2 4.41Å; F16-L196 HydrophobicContact CE1-CD2 3.99Å
17P85.2Confident86.5Confident80 Ų8065.5 Ų65.552%0.51933%0.328SS..SBendcis-68.8142.6-2.929.6-34.5000112.4F111 P195 H197P17-F111 HydrophobicContact CB-CD1 4.21Å; P17-F111 HydrophobicContact CB-CE1 3.78Å; P17-F111 HydrophobicContact CG-CE1 4.13Å; P17-P195 WeakPolarHBondContact CA-O 3.3Å; P17-P195 HydrophobicContact CB-CB 4.24Å; P17-P195 HydrophobicContact CB-CG 4.05Å; P17-H197 HydrophobicContact CB-CB 4.43Å
18H85.3Confident86.8Confident54 Ų5461.1 Ų61.125%0.2531%0.307CS..EExtended strand (participates in β ladder)trans-97.6129.6177.4-153.785.5000110.1W13 F16 L20 P195 L196 H197W13-H18 AromaticContact CD1-CE1 3.84Å; W13-H18 HydrophobicContact CD2-CB 4.31Å; W13-H18 AromaticContact CD2-CD2 3.61Å; W13-H18 AromaticContact CD2-CE1 3.86Å; W13-H18 AromaticContact CD2-CG 3.65Å; W13-H18 AromaticContact CD2-ND1 3.81Å; W13-H18 AromaticContact CD2-NE2 3.77Å; W13-H18 AromaticContact CE2-CD2 3.45Å; W13-H18 VanDerWaalsContact CE2-CD2 3.45Å; W13-H18 AromaticContact CE2-CE1 3.78Å; W13-H18 AromaticContact CE2-CG 3.99Å; W13-H18 AromaticContact CE2-NE2 3.32Å; W13-H18 VanDerWaalsContact CE2-NE2 3.32Å; W13-H18 HydrophobicContact CE3-CB 3.76Å; W13-H18 AromaticContact CE3-CD2 3.68Å; W13-H18 AromaticContact CE3-CG 3.58Å; W13-H18 AromaticContact CG-CE1 3.9Å; W13-H18 AromaticContact CG-ND1 3.9Å; W13-H18 AromaticContact CH2-CD2 3.41Å; W13-H18 VanDerWaalsContact CH2-CD2 3.41Å; W13-H18 WeakPolarHBondContact CH2-CD2 3.41Å; W13-H18 AromaticContact CZ2-CD2 3.36Å; W13-H18 WeakPolarHBondContact CZ2-CD2 3.06Å; W13-H18 AromaticContact CZ2-NE2 3.49Å; W13-H18 WeakPolarHBondContact CZ2-NE2 3.49Å; W13-H18 HydrophobicContact CZ3-CB 3.94Å; W13-H18 AromaticContact CZ3-CD2 3.6Å; W13-H18 AromaticContact CZ3-CG 3.84Å; W13-H18 AromaticContact NE1-CE1 3.76Å; W13-H18 AromaticContact NE1-NE2 3.58Å; F16-H18 HydrophobicContact CD1-CB 4.33Å; H18-L20 PolarHBondContact O-N 3.24Å; H18-P195 PolarHBondContact N-O 2.77Å; H18-P195 VanDerWaalsContact N-O 3.13Å; H18-L196 HydrophobicContact CB-CD2 4.17Å; H18-H197 PolarHBondContact O-N 2.05Å
19A85.8Confident87Confident56 Ų5654.4 Ų54.446%0.46328%0.282SS..EExtended strand (participates in β ladder)trans-75.1119.5177.200000110.1H197 V199A19-H197 CarbonylContact C-O 3.53Å; A19-H197 WeakPolarHBondContact CA-O 3.42Å; A19-V199 HydrophobicContact CB-CG2 3.81Å
20L84.8Confident87.2Confident5 Ų553.2 Ų53.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-110.9119.9-179.1-178.255.9000110W13 H18 Q24 I26 P102 L196 H197 P198 V199W13-L20 HydrophobicContact CH2-CD1 4.31Å; H18-L20 PolarHBondContact O-N 3.24Å; L20-Q24 HydrophobicContact CD1-CB 4.18Å; L20-Q24 HydrophobicContact CD1-CG 4.33Å; L20-I26 HydrophobicContact CD1-CG2 3.45Å; L20-I26 VanDerWaalsContact CD1-CG2 3.45Å; L20-P102 HydrophobicContact CD2-CG 3.91Å; L20-P102 HydrophobicContact CG-CG 4.49Å; L20-L196 HydrophobicContact CD2-CD1 4.3Å; L20-H197 PolarHBondContact N-O 2.72Å; L20-P198 CarbonylContact O-C 3.56Å; L20-P198 WeakPolarHBondContact O-CA 3.39Å; L20-V199 PolarHBondContact O-N 3.38Å
21R84.7Confident87.1Confident139 Ų13951.6 Ų51.653%0.52526%0.26SS..EExtended strand (participates in β ladder)trans-86.3148.4176.8-57.1-179.4-176-165.8-1.7110.6G23 Q24 V201R21-G23 PolarHBondContact O-N 2.98Å; R21-Q24 HydrophobicContact CB-CB 4.11Å; R21-Q24 VanDerWaalsContact O-CB 3.24Å; R21-Q24 WeakPolarHBondContact O-CB 3.11Å; R21-Q24 PolarHBondContact O-N 3.47Å; R21-Q24 VanDerWaalsContact O-N 3.14Å; R21-V201 HydrophobicContact CG-CG2 4.05Å
22I84.3Confident86.7Confident65 Ų6550.1 Ų50.133%0.33325%0.252SS..THydrogen-bonded Turntrans-59.2138.4168.8-65.9167.9000109.2Q24 R103 F105 L254I22-Q24 PolarHBondContact O-N 2.87Å; I22-R103 WeakPolarHBondContact CG2-O 3.38Å; I22-F105 HydrophobicContact CD1-CD1 4.23Å; I22-F105 HydrophobicContact CD1-CD2 3.75Å; I22-F105 HydrophobicContact CD1-CE1 3.71Å; I22-F105 HydrophobicContact CD1-CE2 3.14Å; I22-F105 HydrophobicContact CD1-CG 4.26Å; I22-F105 HydrophobicContact CD1-CZ 3.14Å; I22-F105 HydrophobicContact CG1-CD1 4.04Å; I22-F105 HydrophobicContact CG1-CD2 4.45Å; I22-F105 HydrophobicContact CG1-CE1 3.48Å; I22-F105 VanDerWaalsContact CG1-CE1 3.48Å; I22-F105 HydrophobicContact CG1-CE2 3.94Å; I22-F105 HydrophobicContact CG1-CZ 3.43Å; I22-F105 VanDerWaalsContact CG1-CZ 3.43Å; I22-L254 HydrophobicContact CG2-CD1 4.49Å
23G84Confident85.9Confident23 Ų2353.2 Ų53.224%0.23726%0.264CS..THydrogen-bonded Turntrans75.6-2.6-178.500000114.2R21 R25 E101 P102R21-G23 PolarHBondContact O-N 2.98Å; G23-R25 PolarHBondContact O-N 3.47Å; G23-E101 WeakPolarHBondContact O-CG 3.27Å; G23-P102 PolarHBondContact N-O 3.46Å
24Q86.9Confident84.7Confident56 Ų5658.3 Ų58.326%0.26230%0.3SS..  trans-79.3117.7170.3-176.5-178.7-21.300109.3L20 R21 I22 P102L20-Q24 HydrophobicContact CD1-CB 4.18Å; L20-Q24 HydrophobicContact CD1-CG 4.33Å; R21-Q24 HydrophobicContact CB-CB 4.11Å; R21-Q24 VanDerWaalsContact O-CB 3.24Å; R21-Q24 WeakPolarHBondContact O-CB 3.11Å; R21-Q24 PolarHBondContact O-N 3.47Å; R21-Q24 VanDerWaalsContact O-N 3.14Å; I22-Q24 PolarHBondContact O-N 2.87Å; Q24-P102 WeakPolarHBondContact O-CD 3.12Å
25R90.2Very high83.3Confident53 Ų5361.5 Ų61.520%0.231%0.305CS..  trans-75131.4174-174.2167-69.2-81.9-8.4110.3G23 F27 S76 S99 V100 E101G23-R25 PolarHBondContact O-N 3.47Å; R25-F27 HydrophobicContact CB-CE2 4.34Å; R25-F27 HydrophobicContact CB-CZ 4.41Å; R25-F27 HydrophobicContact CG-CE1 4.19Å; R25-F27 HydrophobicContact CG-CE2 3.96Å; R25-F27 HydrophobicContact CG-CZ 3.75Å; R25-S76 PolarHBondContact NH1-O 3.3Å; R25-S76 PolarHBondContact NH2-O 2.96Å; R25-S99 PolarHBondContact NH1-OG 2.97Å; R25-V100 WeakPolarHBondContact CA-O 3.41Å; R25-E101 HydrophobicContact CB-CB 4.19Å; R25-E101 HydrophobicContact CB-CG 4.46Å; R25-E101 HydrophobicContact CG-CB 4.45Å; R25-E101 IonicContact CZ-OE2 3.48Å; R25-E101 IonicContact NE-OE2 3.6Å; R25-E101 PolarHBondContact NE-OE2 3.3Å; R25-E101 VanDerWaalsContact NH2-CB 3.31Å; R25-E101 IonicContact NH2-OE2 2.76Å; R25-E101 PolarHBondContact NH2-OE2 3.4Å
26I91.9Very high81.7Confident0 Ų058.7 Ų58.70%030%0.302CS..EExtended strand (participates in β ladder)trans-108.4149170.765.5173.9000109.4I3 W13 L20 V28 F52 S99 V100 L196I3-I26 HydrophobicContact CG2-CB 4.08Å; I3-I26 HydrophobicContact CG2-CD1 4.49Å; W13-I26 HydrophobicContact CH2-CB 4.31Å; W13-I26 HydrophobicContact CH2-CG2 3.39Å; W13-I26 HydrophobicContact CZ2-CG2 3.91Å; W13-I26 HydrophobicContact CZ3-CG2 4.22Å; L20-I26 HydrophobicContact CD1-CG2 3.45Å; L20-I26 VanDerWaalsContact CD1-CG2 3.45Å; I26-V28 HydrophobicContact CD1-CG2 4.48Å; I26-F52 HydrophobicContact CD1-CZ 4.2Å; I26-S99 CarbonylContact O-C 3.47Å; I26-S99 WeakPolarHBondContact O-CA 3.36Å; I26-S99 WeakPolarHBondContact O-CB 3.35Å; I26-V100 HydrophobicContact CD1-CG1 3.63Å; I26-V100 HydrophobicContact CG1-CG1 3.36Å; I26-V100 PolarHBondContact N-O 3.36Å; I26-V100 PolarHBondContact O-N 3.5Å; I26-L196 HydrophobicContact CD1-CD1 4.48Å
27F92.2Very high80.1Confident19 Ų1964.9 Ų64.98%0.08333%0.329CS..EExtended strand (participates in β ladder)trans-117.9129.5-179.3-60.2-92.6000108.8I3 Y4 N6 Q7 F9 R25I3-F27 CarbonylContact C-O 3.58Å; I3-F27 WeakPolarHBondContact CA-O 3.38Å; Y4-F27 PolarHBondContact N-O 3.08Å; Y4-F27 PolarHBondContact O-N 3.31Å; Y4-F27 VanDerWaalsContact O-N 3.09Å; N6-F27 VanDerWaalsContact C-CE2 3.46Å; N6-F27 WeakPolarHBondContact O-CB 3.38Å; N6-F27 VanDerWaalsContact O-CD2 3.3Å; N6-F27 WeakPolarHBondContact O-CD2 3.4Å; N6-F27 VanDerWaalsContact O-CG 3.25Å; N6-F27 WeakPolarHBondContact O-CG 3.41Å; Q7-F27 VanDerWaalsContact CA-CE1 3.41Å; Q7-F27 HydrophobicContact CB-CD1 4.09Å; Q7-F27 HydrophobicContact CB-CE1 3.46Å; Q7-F27 VanDerWaalsContact CB-CE1 3.46Å; Q7-F27 HydrophobicContact CB-CE2 4.45Å; Q7-F27 HydrophobicContact CB-CZ 3.66Å; F9-F27 HydrophobicContact CD1-CB 4.34Å; F9-F27 HydrophobicContact CE1-CB 3.85Å; F9-F27 HydrophobicContact CZ-CB 4.12Å; F9-F27 HydrophobicContact CZ-CD1 4.41Å; R25-F27 HydrophobicContact CB-CE2 4.34Å; R25-F27 HydrophobicContact CB-CZ 4.41Å; R25-F27 HydrophobicContact CG-CE1 4.19Å; R25-F27 HydrophobicContact CG-CE2 3.96Å; R25-F27 HydrophobicContact CG-CZ 3.75Å
28V92.7Very high78.5Confident0 Ų071.5 Ų71.50%034%0.344CS..EExtended strand (participates in β ladder)trans-121.6126.3-171.4-175.90000108.5M1 Q2 I3 I26 R97 F98 L114M1-V28 HydrophobicContact CE-CG1 3.86Å; M1-V28 HydrophobicContact CG-CG1 4.08Å; Q2-V28 WeakPolarHBondContact O-CA 3.39Å; I3-V28 HydrophobicContact CG1-CG2 4.38Å; I26-V28 HydrophobicContact CD1-CG2 4.48Å; V28-R97 VanDerWaalsContact O-CA 3.26Å; V28-R97 WeakPolarHBondContact O-CA 3.27Å; V28-F98 HydrophobicContact CB-CD1 3.9Å; V28-F98 HydrophobicContact CB-CD2 4.39Å; V28-F98 HydrophobicContact CB-CE1 3.54Å; V28-F98 HydrophobicContact CB-CE2 4.06Å; V28-F98 HydrophobicContact CB-CG 4.33Å; V28-F98 HydrophobicContact CB-CZ 3.64Å; V28-F98 HydrophobicContact CG1-CD1 4.19Å; V28-F98 HydrophobicContact CG1-CE1 3.45Å; V28-F98 VanDerWaalsContact CG1-CE1 3.45Å; V28-F98 HydrophobicContact CG1-CZ 3.72Å; V28-F98 HydrophobicContact CG2-CD2 4.43Å; V28-F98 HydrophobicContact CG2-CE1 4.17Å; V28-F98 HydrophobicContact CG2-CE2 3.85Å; V28-F98 HydrophobicContact CG2-CZ 3.72Å; V28-F98 PolarHBondContact N-O 3.14Å; V28-F98 PolarHBondContact O-N 2.93Å; V28-L114 HydrophobicContact CG1-CD2 4.16Å; V28-L114 HydrophobicContact CG2-CD2 3.68Å
29D88.8Confident77Confident7 Ų777.5 Ų77.54%0.03737%0.372CS..EExtended strand (participates in β ladder)trans-112.5127.1172.7-157.8-20.5000110.4M1 Q2 Y4 F9 S95 R97M1-D29 CarbonylContact C-O 3.58Å; M1-D29 WeakPolarHBondContact CA-O 3.49Å; Q2-D29 PolarHBondContact N-O 3.45Å; Q2-D29 PolarHBondContact O-N 2.87Å; Y4-D29 HydrophobicContact CD2-CB 4.32Å; Y4-D29 HydrophobicContact CE2-CB 3.56Å; F9-D29 HydrophobicContact CD1-CB 3.88Å; F9-D29 HydrophobicContact CE1-CB 4.25Å; D29-S95 WeakPolarHBondContact OD1-CB 3.35Å; D29-R97 HydrophobicContact CB-CG 4.14Å; D29-R97 IonicContact OD1-NE 3.56Å; D29-R97 IonicContact OD2-CZ 3.43Å; D29-R97 IonicContact OD2-NE 3.93Å; D29-R97 PolarHBondContact OD2-NE 2.96Å; D29-R97 IonicContact OD2-NH2 2.89Å; D29-R97 PolarHBondContact OD2-NH2 2.87Å
30V88.4Confident75.3Confident5 Ų583.8 Ų83.83%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-111.4103.5171.2-179.40000107.7M1 P45 L47 S95 S96 V118M1-V30 HydrophobicContact CB-CG2 4.29Å; M1-V30 HydrophobicContact CG-CG2 4.11Å; V30-P45 HydrophobicContact CG1-CB 4.18Å; V30-P45 WeakPolarHBondContact O-CG 3.37Å; V30-L47 HydrophobicContact CB-CD2 4.1Å; V30-L47 HydrophobicContact CG1-CD2 4.44Å; V30-L47 HydrophobicContact CG2-CD2 3.75Å; V30-S95 CarbonylContact O-C 3.47Å; V30-S95 WeakPolarHBondContact O-CA 3.39Å; V30-S96 PolarHBondContact N-O 3.19Å; V30-S96 PolarHBondContact O-N 3.49Å; V30-V118 HydrophobicContact CG1-CG1 4.15Å; V30-V118 HydrophobicContact CG1-CG2 3.76Å
31F82.3Confident74Confident48 Ų4885.8 Ų85.821%0.21141%0.409CS..EExtended strand (participates in β ladder)trans-113.7151.1178.657.4-90.5000111.3Q2 Q33Q2-F31 HydrophobicContact CB-CE1 3.9Å; F31-Q33 HydrophobicContact CD2-CG 4.34Å; F31-Q33 HydrophobicContact CE2-CG 3.97Å
32L77.7Confident73.1Confident52 Ų5282.2 Ų82.227%0.27240%0.4SS..  trans-83.7129.8166.5-62.8174.3000108.6L43 P45 S94 V120L32-L43 HydrophobicContact CD1-CB 3.88Å; L32-P45 HydrophobicContact CD2-CB 4.21Å; L32-P45 HydrophobicContact CG-CB 4.05Å; L32-P45 HydrophobicContact CG-CG 4.06Å; L32-S94 PolarHBondContact N-O 3.33Å; L32-V120 HydrophobicContact CD1-CG1 4.02Å; L32-V120 HydrophobicContact CD2-CG2 4.01Å
33Q73.4Confident72.5Confident88 Ų8882.7 Ų82.741%0.41140%0.403SS..  trans-74.3134.5168.2-76.6170.232.900108.9F31 Y35 P170 S172F31-Q33 HydrophobicContact CD2-CG 4.34Å; F31-Q33 HydrophobicContact CE2-CG 3.97Å; Q33-Y35 PolarHBondContact O-N 3.21Å; Q33-P170 HydrophobicContact CG-CG 4.45Å; Q33-S172 VanDerWaalsContact CD-OG 3.28Å; Q33-S172 PolarHBondContact NE2-OG 3.17Å; Q33-S172 PolarHBondContact OE1-OG 3.5Å
34P63.6Low72.2Confident126 Ų12684 Ų8482%0.81840%0.401SS*.  trans-66.1105.2173.826.7-31.7000108.9
35Y57.9Low71.8Confident182 Ų18281.8 Ų81.871%0.71439%0.391SS*.  trans-98.499.6171.2-168-96.8000108.9Q33Q33-Y35 PolarHBondContact O-N 3.21Å
36V52Low71.4Confident113 Ų11380.1 Ų80.169%0.68539%0.386SS*.SBendtrans66.7145.2179.3-170.80000112.5R38V36-R38 PolarHBondContact O-N 2.9Å
37K50.7Low71.2Confident192 Ų19280.2 Ų80.284%0.83539%0.387SS*.  trans-59.767.5-179.9-68.8178.4172.4-175.50112.5E39K37-E39 VanDerWaalsContact C-N 3.26Å; K37-E39 PolarHBondContact O-N 3.47Å; K37-E39 VanDerWaalsContact O-N 3.1Å
38R51.2Low70.8Confident219 Ų21981.2 Ų81.283%0.82639%0.391SS*.  trans-83.884.6168.2-135.7-179.4-159-161.44.6106.7V36 E40V36-R38 PolarHBondContact O-N 2.9Å; R38-E40 PolarHBondContact O-N 3.13Å
39E53.5Low70.7Confident180 Ų18083.5 Ų83.584%0.84140%0.401SS*.THydrogen-bonded Turntrans-67.915.6-172.8-134.6164.4-167.200114.1K37K37-E39 VanDerWaalsContact C-N 3.26Å; K37-E39 PolarHBondContact O-N 3.47Å; K37-E39 VanDerWaalsContact O-N 3.1Å
40E49.8Very low70.9Confident187 Ų18783.1 Ų83.187%0.87440%0.4SS*.THydrogen-bonded Turntrans-141.55.8-159.8-103165.5170.700116.3R38R38-E40 PolarHBondContact O-N 3.13Å
41A57.1Low71.2Confident47 Ų4782.9 Ų82.939%0.38840%0.398SS..  trans-138116.217200000111.4L43A41-L43 HydrophobicContact CB-CD1 4.49Å; A41-L43 HydrophobicContact CB-CD2 3.97Å; A41-L43 HydrophobicContact CB-CG 3.81Å; A41-L43 PolarHBondContact O-N 3.49Å
42D66.7Low71.7Confident65 Ų6580.6 Ų80.635%0.34839%0.388SS..EExtended strand (participates in β ladder)trans-70.770.8165.8-172.716000108.3R44 W123D42-R44 IonicContact OD1-NE 3.57Å; D42-R44 IonicContact OD2-CZ 2.89Å; D42-R44 IonicContact OD2-NE 3.01Å; D42-R44 PolarHBondContact OD2-NE 3.3Å; D42-R44 IonicContact OD2-NH2 3.37Å; D42-R44 PolarHBondContact OD2-NH2 3.04Å; D42-W123 HydrophobicContact CB-CB 3.98Å; D42-W123 WeakPolarHBondContact O-CB 3.39Å; D42-W123 PolarHBondContact O-N 3.29Å; D42-W123 WeakPolarHBondContact OD2-CB 3.25Å
43L72.6Confident72.4Confident74 Ų7478.1 Ų78.139%0.38738%0.375SS..EExtended strand (participates in β ladder)trans-72.4134.4176.9-64.9176.5000108.6L32 A41 S94 V120 C121L32-L43 HydrophobicContact CD1-CB 3.88Å; A41-L43 HydrophobicContact CB-CD1 4.49Å; A41-L43 HydrophobicContact CB-CD2 3.97Å; A41-L43 HydrophobicContact CB-CG 3.81Å; A41-L43 PolarHBondContact O-N 3.49Å; L43-S94 WeakPolarHBondContact O-CB 3.37Å; L43-S94 PolarHBondContact O-OG 2.85Å; L43-V120 HydrophobicContact CB-CG1 4.01Å; L43-V120 HydrophobicContact CD1-CG1 4.44Å; L43-V120 HydrophobicContact CD2-CG1 4.01Å; L43-V120 HydrophobicContact CG-CG1 4.38Å; L43-C121 CarbonylContact C-O 3.47Å; L43-C121 WeakPolarHBondContact CA-O 3.45Å
44R76Confident73.2Confident52 Ų5280.3 Ų80.320%0.19638%0.38CS..EExtended strand (participates in β ladder)trans-126.6134.7176.5-56-164.7176.2-175.66.4111.6D42 C121 W123D42-R44 IonicContact OD1-NE 3.57Å; D42-R44 IonicContact OD2-CZ 2.89Å; D42-R44 IonicContact OD2-NE 3.01Å; D42-R44 PolarHBondContact OD2-NE 3.3Å; D42-R44 IonicContact OD2-NH2 3.37Å; D42-R44 PolarHBondContact OD2-NH2 3.04Å; R44-C121 PolarHBondContact N-O 3.04Å; R44-C121 PolarHBondContact O-N 3.11Å; R44-W123 HydrophobicContact CG-CB 4.47Å
45P80.2Confident74.5Confident8 Ų876.6 Ų76.65%0.05236%0.357CS..EExtended strand (participates in β ladder)trans-74.5134.8171.430.4-30.2000109.5V30 L32 S94 S96 V118V30-P45 HydrophobicContact CG1-CB 4.18Å; V30-P45 WeakPolarHBondContact O-CG 3.37Å; L32-P45 HydrophobicContact CD2-CB 4.21Å; L32-P45 HydrophobicContact CG-CB 4.05Å; L32-P45 HydrophobicContact CG-CG 4.06Å; P45-S94 WeakPolarHBondContact CD-O 3.31Å; P45-S94 WeakPolarHBondContact CD-OG 3.3Å; P45-S94 WeakPolarHBondContact CG-O 3.38Å; P45-S96 WeakPolarHBondContact O-CB 3.37Å; P45-V118 HydrophobicContact CB-CG1 3.72Å
46L81.8Confident76.1Confident18 Ų1871.8 Ų71.89%0.09435%0.35CS..EExtended strand (participates in β ladder)trans-119.9129178.1-174.774000110.1K48 V118 A119 C143 L147L46-K48 PolarHBondContact O-N 3.04Å; L46-V118 CarbonylContact O-C 3.5Å; L46-V118 VanDerWaalsContact O-CA 3.31Å; L46-V118 WeakPolarHBondContact O-CA 3.44Å; L46-V118 WeakPolarHBondContact O-CG1 3.24Å; L46-A119 PolarHBondContact N-O 2.85Å; L46-A119 PolarHBondContact O-N 3.45Å; L46-C143 HydrophobicContact CD2-CB 4.09Å; L46-C143 VanDerWaalsContact CD2-SG 3.58Å; L46-L147 HydrophobicContact CD1-CD2 4.18Å; L46-L147 HydrophobicContact CD2-CB 3.58Å; L46-L147 HydrophobicContact CD2-CD2 3.34Å; L46-L147 HydrophobicContact CD2-CG 4.12Å; L46-L147 HydrophobicContact CG-CD2 3.79Å
47L86Confident77.9Confident3 Ų368.8 Ų68.82%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-75.9104178.2-57.6173.4000109.4V30 V67 G70 V79 S96 F98 C116 V118V30-L47 HydrophobicContact CB-CD2 4.1Å; V30-L47 HydrophobicContact CG1-CD2 4.44Å; V30-L47 HydrophobicContact CG2-CD2 3.75Å; L47-V67 HydrophobicContact CB-CG1 4.24Å; L47-G70 WeakPolarHBondContact O-CA 3.18Å; L47-G70 PolarHBondContact O-N 3.35Å; L47-V79 HydrophobicContact CD1-CG1 4.49Å; L47-S96 WeakPolarHBondContact CD1-OG 3.35Å; L47-S96 WeakPolarHBondContact CG-OG 3.48Å; L47-F98 HydrophobicContact CD1-CD1 3.65Å; L47-F98 HydrophobicContact CD1-CE1 4.28Å; L47-F98 HydrophobicContact CD1-CG 4.45Å; L47-C116 HydrophobicContact CD2-CB 4.47Å; L47-V118 HydrophobicContact CD2-CG2 4.41Å
48K85.6Confident79.8Confident39 Ų3960.6 Ų60.617%0.1730%0.3CS..EExtended strand (participates in β ladder)trans-78.4-45.8174.1-175.9168.2179.5162.60110.3L46 S68 S69 R117 N145 E186 T188L46-K48 PolarHBondContact O-N 3.04Å; K48-S68 CarbonylContact O-C 3.45Å; K48-S69 WeakPolarHBondContact O-CA 3.42Å; K48-S69 PolarHBondContact O-N 3.11Å; K48-R117 WeakPolarHBondContact CA-O 3.33Å; K48-R117 HydrophobicContact CB-CB 4.5Å; K48-R117 HydrophobicContact CB-CG 4.48Å; K48-R117 WeakPolarHBondContact CB-O 3.38Å; K48-R117 PolarHBondContact N-O 2.93Å; K48-N145 WeakPolarHBondContact CE-OD1 3.23Å; K48-N145 PolarHBondContact NZ-ND2 3Å; K48-N145 PolarHBondContact NZ-OD1 2.77Å; K48-E186 IonicContact NZ-OE2 3.44Å; K48-E186 PolarHBondContact NZ-OE2 3.43Å; K48-T188 HydrophobicContact CD-CG2 4.07Å
49E89.6Confident81.7Confident48 Ų4856.6 Ų56.622%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-154138178.6-163.5-172.8-174.100109.4F51 V65 V67 C116 R117E49-F51 HydrophobicContact CG-CD1 3.98Å; E49-F51 HydrophobicContact CG-CE1 4.42Å; E49-V65 HydrophobicContact CG-CG1 4.45Å; E49-V67 CarbonylContact C-O 3.52Å; E49-V67 VanDerWaalsContact CA-O 3.24Å; E49-V67 WeakPolarHBondContact CA-O 3.32Å; E49-C116 CarbonylContact O-C 3.48Å; E49-C116 VanDerWaalsContact O-CA 3.25Å; E49-C116 WeakPolarHBondContact O-CA 3.32Å; E49-R117 HydrophobicContact CB-CB 4.17Å; E49-R117 PolarHBondContact N-O 3.24Å; E49-R117 PolarHBondContact O-N 3.16Å
50C93.1Very high83.4Confident0 Ų049.2 Ų49.20%026%0.259CS..EExtended strand (participates in β ladder)trans-131.5137.4169.9-67.60000109.9L66 V67 F98 H115 C116C50-L66 PolarHBondContact O-N 3.31Å; C50-V67 HydrophobicContact CB-CB 4Å; C50-V67 HydrophobicContact CB-CG2 4.26Å; C50-V67 PolarHBondContact N-O 2.9Å; C50-V67 PolarHBondContact O-N 3.36Å; C50-V67 VanDerWaalsContact O-N 3.17Å; C50-F98 HydrophobicContact CB-CZ 4.25Å; C50-H115 CarbonylContact C-O 3.5Å; C50-H115 VanDerWaalsContact CA-O 3.23Å; C50-H115 WeakPolarHBondContact CA-O 3.34Å; C50-C116 HydrophobicContact CB-CB 4.19Å; C50-C116 WeakPolarHBondContact CB-SG 3.23Å; C50-C116 WeakPolarHBondContact SG-CB 3.08Å; C50-C116 CovalentContact SG-SG 2.05Å; C50-C116 PolarHBondContact SG-SG 2.94Å
51F94.1Very high85.3Confident0 Ų048 Ų480%025%0.253CS..EExtended strand (participates in β ladder)trans-153152.9-175.953.3-94.4000112.3E49 T53 P58 K63 H64 V65 H115 F190E49-F51 HydrophobicContact CG-CD1 3.98Å; E49-F51 HydrophobicContact CG-CE1 4.42Å; F51-T53 HydrophobicContact CD2-CG2 3.57Å; F51-T53 HydrophobicContact CE2-CG2 3.64Å; F51-P58 HydrophobicContact CE2-CB 4.47Å; F51-P58 VanDerWaalsContact CE2-O 3.3Å; F51-P58 WeakPolarHBondContact CE2-O 3.24Å; F51-P58 HydrophobicContact CZ-CB 4.21Å; F51-P58 VanDerWaalsContact CZ-O 3.31Å; F51-P58 WeakPolarHBondContact CZ-O 3.47Å; F51-K63 HydrophobicContact CB-CB 4.47Å; F51-K63 HydrophobicContact CD2-CB 4.28Å; F51-K63 HydrophobicContact CD2-CD 4.01Å; F51-K63 HydrophobicContact CD2-CG 4.02Å; F51-K63 HydrophobicContact CE2-CD 4Å; F51-K63 HydrophobicContact CE2-CG 4.29Å; F51-K63 HydrophobicContact CG-CD 4.36Å; F51-K63 HydrophobicContact CZ-CD 4.33Å; F51-H64 CarbonylContact C-O 3.52Å; F51-H64 WeakPolarHBondContact CA-O 3.36Å; F51-H64 WeakPolarHBondContact CB-O 3.36Å; F51-V65 HydrophobicContact CB-CG2 4.39Å; F51-H115 HydrophobicContact CD2-CB 4.09Å; F51-H115 HydrophobicContact CE1-CB 4.46Å; F51-H115 HydrophobicContact CE2-CB 3.62Å; F51-H115 AromaticContact CE2-CD2 3.87Å; F51-H115 AromaticContact CE2-CG 3.95Å; F51-H115 HydrophobicContact CZ-CB 3.83Å; F51-H115 PolarHBondContact N-O 3.46Å; F51-H115 PolarHBondContact O-N 3.1Å; F51-F190 HydrophobicContact CE1-CE1 4.17Å; F51-F190 HydrophobicContact CZ-CE1 4.07Å
52F92.8Very high86.9Confident0 Ų048.5 Ų48.50%025%0.252CS..EExtended strand (participates in β ladder)trans-89.1145.6167.3-66.9-66.4000111I26 K63 H64 L66 V100 Y106 F107 M112 F113 L114 L196I26-F52 HydrophobicContact CD1-CZ 4.2Å; F52-K63 WeakPolarHBondContact O-CA 3.32Å; F52-H64 HydrophobicContact CB-CB 4.35Å; F52-H64 PolarHBondContact N-O 3.47Å; F52-H64 PolarHBondContact O-N 3.47Å; F52-L66 HydrophobicContact CD2-CD1 3.83Å; F52-L66 HydrophobicContact CD2-CD2 3.91Å; F52-L66 HydrophobicContact CD2-CG 4.09Å; F52-L66 HydrophobicContact CE2-CD1 3.47Å; F52-L66 VanDerWaalsContact CE2-CD1 3.47Å; F52-L66 HydrophobicContact CE2-CD2 3.81Å; F52-L66 HydrophobicContact CE2-CG 4.08Å; F52-L66 HydrophobicContact CZ-CD1 3.89Å; F52-V100 HydrophobicContact CE2-CG1 4.43Å; F52-V100 HydrophobicContact CE2-CG2 4.4Å; F52-V100 HydrophobicContact CZ-CG1 4.11Å; F52-Y106 AromaticContact CD2-CD2 3.63Å; F52-Y106 HydrophobicContact CD2-CD2 3.63Å; F52-Y106 AromaticContact CD2-CE2 3.78Å; F52-Y106 HydrophobicContact CD2-CE2 3.78Å; F52-Y106 HydrophobicContact CE2-CD2 4.09Å; F52-Y106 AromaticContact CE2-CE2 3.83Å; F52-Y106 HydrophobicContact CE2-CE2 3.83Å; F52-Y106 HydrophobicContact CG-CD2 4.47Å; F52-F107 HydrophobicContact CB-CE2 3.84Å; F52-F107 WeakPolarHBondContact O-CZ 3.46Å; F52-M112 HydrophobicContact CB-CE 4.12Å; F52-M112 HydrophobicContact CD1-CE 4.03Å; F52-M112 HydrophobicContact CD2-CE 3.93Å; F52-M112 HydrophobicContact CE1-CE 4.39Å; F52-M112 HydrophobicContact CE2-CE 4.29Å; F52-M112 HydrophobicContact CG-CE 3.79Å; F52-F113 CarbonylContact C-O 3.56Å; F52-F113 VanDerWaalsContact CA-O 3.27Å; F52-F113 WeakPolarHBondContact CA-O 3.29Å; F52-L114 HydrophobicContact CD1-CB 3.88Å; F52-L114 HydrophobicContact CD1-CD1 3.93Å; F52-L114 HydrophobicContact CD1-CG 4.47Å; F52-L114 HydrophobicContact CE1-CB 3.72Å; F52-L114 HydrophobicContact CE1-CD1 3.77Å; F52-L114 HydrophobicContact CE1-CD2 4.37Å; F52-L114 HydrophobicContact CE1-CG 4.15Å; F52-L114 HydrophobicContact CZ-CD1 4.23Å; F52-L196 HydrophobicContact CE1-CD1 3.91Å
53T92.9Very high88.1Confident0 Ų049.4 Ų49.40%025%0.253CS..EExtended strand (participates in β ladder)trans-133.7174.5166.775.60000111.8F51 S55 S60 K63 F107 M112 F113 H115F51-T53 HydrophobicContact CD2-CG2 3.57Å; F51-T53 HydrophobicContact CE2-CG2 3.64Å; T53-S55 PolarHBondContact OG1-N 2.82Å; T53-S55 PolarHBondContact OG1-O 2.89Å; T53-S60 WeakPolarHBondContact CB-OG 3.41Å; T53-S60 PolarHBondContact OG1-OG 2.99Å; T53-S60 VanDerWaalsContact OG1-OG 3.12Å; T53-K63 HydrophobicContact CG2-CG 4.08Å; T53-F107 VanDerWaalsContact C-CE2 3.41Å; T53-F107 VanDerWaalsContact CA-CE2 3.45Å; T53-M112 CarbonylContact O-C 3.6Å; T53-M112 VanDerWaalsContact O-CA 3.32Å; T53-M112 WeakPolarHBondContact O-CA 3.43Å; T53-F113 PolarHBondContact N-O 3.29Å; T53-F113 PolarHBondContact O-N 3.32Å; T53-H115 PolarHBondContact OG1-CD2 2.77Å; T53-H115 PolarHBondContact OG1-NE2 3.31Å
54R91Very high89Confident133 Ų13348 Ų4850%0.50224%0.244SC..SBendtrans-83.7-6.8175.6-66.4-171.6-67-168.5-3.3114.7Q61 P62 F107 F111R54-Q61 PolarHBondContact NH2-O 3.44Å; R54-P62 VanDerWaalsContact CZ-CD 3.42Å; R54-F107 HydrophobicContact CG-CB 3.57Å; R54-F107 HydrophobicContact CG-CD1 3.62Å; R54-F107 HydrophobicContact CG-CD2 3.76Å; R54-F107 HydrophobicContact CG-CE1 4.31Å; R54-F107 HydrophobicContact CG-CE2 4.4Å; R54-F107 HydrophobicContact CG-CG 3.34Å; R54-F111 CarbonylContact C-O 3.47Å; R54-F111 WeakPolarHBondContact CA-O 3.4Å
55S89.7Confident89.7Confident49 Ų4947.6 Ų47.634%0.34325%0.248SC..SBendtrans-138.8157.8-170.1176.70000111.3T53 S57 F113 H115T53-S55 PolarHBondContact OG1-N 2.82Å; T53-S55 PolarHBondContact OG1-O 2.89Å; S55-S57 PolarHBondContact O-N 3.5Å; S55-F113 WeakPolarHBondContact O-CB 3.45Å; S55-F113 WeakPolarHBondContact O-CD2 3.47Å; S55-F113 WeakPolarHBondContact O-CG 3.39Å; S55-H115 PolarHBondContact O-NE2 3.39Å; S55-H115 VanDerWaalsContact O-NE2 3.15Å
56S90.9Very high90.3Very high81 Ų8147.2 Ų47.257%0.56625%0.245SC*.SBendtrans-65.1-9.5175.757.60000113.8H115S56-H115 PolarHBondContact O-CE1 3Å
57S91.7Very high90.6Very high49 Ų4946.4 Ų46.434%0.34324%0.241SC..  trans-86.4123.3175.7-179.10000112.1S55 H59 S60S55-S57 PolarHBondContact O-N 3.5Å; S57-H59 PolarHBondContact O-N 3.06Å; S57-H59 VanDerWaalsContact O-N 3.1Å; S57-S60 WeakPolarHBondContact O-CB 3.32Å; S57-S60 PolarHBondContact O-N 2.89Å; S57-S60 PolarHBondContact O-OG 3.39Å
58P89.3Confident90.7Very high20 Ų2048.4 Ų48.413%0.1326%0.255CS..THydrogen-bonded Turntrans-67.1-10.8178.227.7-34.9000113.8F51 K63 H115 F190F51-P58 HydrophobicContact CE2-CB 4.47Å; F51-P58 VanDerWaalsContact CE2-O 3.3Å; F51-P58 WeakPolarHBondContact CE2-O 3.24Å; F51-P58 HydrophobicContact CZ-CB 4.21Å; F51-P58 VanDerWaalsContact CZ-O 3.31Å; F51-P58 WeakPolarHBondContact CZ-O 3.47Å; P58-K63 VanDerWaalsContact O-CE 3.27Å; P58-K63 WeakPolarHBondContact O-CE 3.38Å; P58-K63 PolarHBondContact O-NZ 3.03Å; P58-H115 HydrophobicContact CB-CB 4.15Å; P58-F190 HydrophobicContact CB-CD1 3.83Å; P58-F190 HydrophobicContact CB-CE1 4.25Å; P58-F190 HydrophobicContact CB-CG 4.21Å; P58-F190 HydrophobicContact CG-CB 4.3Å; P58-F190 HydrophobicContact CG-CD1 4.36Å; P58-F190 HydrophobicContact CG-CG 4.24Å
59H90.8Very high90.6Very high136 Ų13649.6 Ų49.663%0.6327%0.269SS*.THydrogen-bonded Turntrans-93.2-4.2177.1-55.996.6000112.7S57S57-H59 PolarHBondContact O-N 3.06Å; S57-H59 VanDerWaalsContact O-N 3.1Å
60S90.3Very high89.9Confident24 Ų2447.5 Ų47.517%0.16826%0.26CS..  trans-69.4148.9179.368.10000111.9T53 S57 K63T53-S60 WeakPolarHBondContact CB-OG 3.41Å; T53-S60 PolarHBondContact OG1-OG 2.99Å; T53-S60 VanDerWaalsContact OG1-OG 3.12Å; S57-S60 WeakPolarHBondContact O-CB 3.32Å; S57-S60 PolarHBondContact O-N 2.89Å; S57-S60 PolarHBondContact O-OG 3.39Å; S60-K63 WeakPolarHBondContact O-CG 3.47Å
61Q88.6Confident89.4Confident163 Ų16348.5 Ų48.576%0.76227%0.267SS*.SBendtrans-113.6154.7173.7-66.5-172.919.600110.3R54R54-Q61 PolarHBondContact NH2-O 3.44Å
62P91Very high89Confident57 Ų5751.5 Ų51.537%0.3729%0.286SS..SBendcis-73.3159.8-723.3-24.4000113R54 F107R54-P62 VanDerWaalsContact CZ-CD 3.42Å; P62-F107 HydrophobicContact CB-CE1 4.12Å; P62-F107 HydrophobicContact CG-CD1 4.06Å; P62-F107 HydrophobicContact CG-CE1 3.62Å; P62-F107 WeakPolarHBondContact O-CZ 3.1Å
63K91.6Very high88.8Confident84 Ų8454.5 Ų54.537%0.36530%0.304SS..  trans-112.2133.9176.2-63.7-177174.2-171.50109.5F51 F52 T53 P58 S60F51-K63 HydrophobicContact CB-CB 4.47Å; F51-K63 HydrophobicContact CD2-CB 4.28Å; F51-K63 HydrophobicContact CD2-CD 4.01Å; F51-K63 HydrophobicContact CD2-CG 4.02Å; F51-K63 HydrophobicContact CE2-CD 4Å; F51-K63 HydrophobicContact CE2-CG 4.29Å; F51-K63 HydrophobicContact CG-CD 4.36Å; F51-K63 HydrophobicContact CZ-CD 4.33Å; F52-K63 WeakPolarHBondContact O-CA 3.32Å; T53-K63 HydrophobicContact CG2-CG 4.08Å; P58-K63 VanDerWaalsContact O-CE 3.27Å; P58-K63 WeakPolarHBondContact O-CE 3.38Å; P58-K63 PolarHBondContact O-NZ 3.03Å; S60-K63 WeakPolarHBondContact O-CG 3.47Å
64H92.1Very high88.4Confident43 Ų4355.6 Ų55.620%0.19931%0.31CS..EExtended strand (participates in β ladder)trans-108104.3169.9-173.974.5000109.5F51 F52 D74 Y106 F107F51-H64 CarbonylContact C-O 3.52Å; F51-H64 WeakPolarHBondContact CA-O 3.36Å; F51-H64 WeakPolarHBondContact CB-O 3.36Å; F52-H64 HydrophobicContact CB-CB 4.35Å; F52-H64 PolarHBondContact N-O 3.47Å; F52-H64 PolarHBondContact O-N 3.47Å; H64-D74 IonicContact CD2-OD2 3.92Å; H64-D74 IonicContact CE1-OD2 3.49Å; H64-D74 PolarHBondContact CE1-OD2 2.98Å; H64-D74 IonicContact NE2-OD2 2.77Å; H64-D74 PolarHBondContact NE2-OD2 3.3Å; H64-Y106 HydrophobicContact CB-CD1 4.39Å; H64-Y106 HydrophobicContact CB-CD2 4.42Å; H64-Y106 HydrophobicContact CB-CG 4.05Å; H64-Y106 AromaticContact CD2-CD1 3.59Å; H64-Y106 AromaticContact CD2-CD2 3.66Å; H64-Y106 AromaticContact CD2-CE1 3.52Å; H64-Y106 AromaticContact CD2-CE2 3.59Å; H64-Y106 AromaticContact CD2-CG 3.69Å; H64-Y106 AromaticContact CD2-CZ 3.52Å; H64-Y106 AromaticContact CE1-CD1 3.49Å; H64-Y106 VanDerWaalsContact CE1-CD1 3.49Å; H64-Y106 WeakPolarHBondContact CE1-CD1 3.5Å; H64-Y106 AromaticContact CE1-CE1 3.32Å; H64-Y106 WeakPolarHBondContact CE1-CE1 3.39Å; H64-Y106 AromaticContact CE1-CZ 4Å; H64-Y106 AromaticContact CG-CD1 3.53Å; H64-Y106 AromaticContact CG-CD2 4Å; H64-Y106 AromaticContact CG-CE1 3.93Å; H64-Y106 AromaticContact CG-CG 3.6Å; H64-Y106 AromaticContact ND1-CD1 3.5Å; H64-Y106 WeakPolarHBondContact ND1-CD1 3.49Å; H64-Y106 AromaticContact ND1-CE1 3.84Å; H64-Y106 AromaticContact NE2-CD1 3.55Å; H64-Y106 AromaticContact NE2-CE1 3.1Å; H64-Y106 WeakPolarHBondContact NE2-CE1 3.47Å; H64-Y106 AromaticContact NE2-CE2 3.87Å; H64-Y106 AromaticContact NE2-CZ 3.28Å; H64-Y106 VanDerWaalsContact NE2-CZ 3.28Å; H64-F107 HydrophobicContact CB-CZ 4.16Å
65V91.8Very high88.1Confident45 Ų4555 Ų5527%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-79125.5-172.2-175.90000110.6E49 F51 V73E49-V65 HydrophobicContact CG-CG1 4.45Å; F51-V65 HydrophobicContact CB-CG2 4.39Å; V65-V73 HydrophobicContact CG1-CB 4.43Å; V65-V73 HydrophobicContact CG1-CG2 4.25Å
66L91.6Very high88Confident0 Ų052.7 Ų52.70%031%0.305CS..EExtended strand (participates in β ladder)trans-99.9-44178.6-57.4178.5000111.8C50 F52 V73 D74 T77 F98 V100 L114C50-L66 PolarHBondContact O-N 3.31Å; F52-L66 HydrophobicContact CD2-CD1 3.83Å; F52-L66 HydrophobicContact CD2-CD2 3.91Å; F52-L66 HydrophobicContact CD2-CG 4.09Å; F52-L66 HydrophobicContact CE2-CD1 3.47Å; F52-L66 VanDerWaalsContact CE2-CD1 3.47Å; F52-L66 HydrophobicContact CE2-CD2 3.81Å; F52-L66 HydrophobicContact CE2-CG 4.08Å; F52-L66 HydrophobicContact CZ-CD1 3.89Å; L66-V73 PolarHBondContact O-N 3.19Å; L66-D74 HydrophobicContact CD2-CB 4.05Å; L66-D74 PolarHBondContact O-N 3.02Å; L66-T77 HydrophobicContact CB-CG2 4.41Å; L66-F98 HydrophobicContact CD1-CE2 4.15Å; L66-V100 HydrophobicContact CD1-CB 4.44Å; L66-V100 HydrophobicContact CD1-CG1 4.24Å; L66-V100 HydrophobicContact CD1-CG2 4.26Å; L66-V100 HydrophobicContact CD2-CG2 3.85Å; L66-L114 HydrophobicContact CD1-CD1 3.67Å
67V89Confident87.9Confident0 Ų049.2 Ų49.20%028%0.281CS..EExtended strand (participates in β ladder)trans-132.3134.8-177.2-179.30000107.9L47 E49 C50 C71 T77 V79L47-V67 HydrophobicContact CB-CG1 4.24Å; E49-V67 CarbonylContact C-O 3.52Å; E49-V67 VanDerWaalsContact CA-O 3.24Å; E49-V67 WeakPolarHBondContact CA-O 3.32Å; C50-V67 HydrophobicContact CB-CB 4Å; C50-V67 HydrophobicContact CB-CG2 4.26Å; C50-V67 PolarHBondContact N-O 2.9Å; C50-V67 PolarHBondContact O-N 3.36Å; C50-V67 VanDerWaalsContact O-N 3.17Å; V67-C71 CarbonylContact C-O 3.52Å; V67-C71 VanDerWaalsContact CA-O 3.23Å; V67-C71 WeakPolarHBondContact CA-O 3.43Å; V67-C71 WeakPolarHBondContact CG1-O 3.36Å; V67-T77 HydrophobicContact CG2-CG2 3.88Å; V67-V79 HydrophobicContact CG2-CG2 4.06Å
68S88Confident87.6Confident45 Ų4551.2 Ų51.232%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-138.7130.4174.4-1770000109.3K48 G70 C71K48-S68 CarbonylContact O-C 3.45Å; S68-G70 PolarHBondContact O-N 3.27Å; S68-C71 PolarHBondContact N-O 3.39Å; S68-C71 PolarHBondContact O-N 2.94Å
69S82.5Confident87.3Confident65 Ų6551 Ų5146%0.45528%0.284SS..THydrogen-bonded Turntrans52.240.3-177.2-59.30000112.7K48 C71K48-S69 WeakPolarHBondContact O-CA 3.42Å; K48-S69 PolarHBondContact O-N 3.11Å; S69-C71 PolarHBondContact O-N 3.46Å
70G75.2Confident86.7Confident4 Ų446.4 Ų46.44%0.04126%0.262CS..THydrogen-bonded Turntrans81.6-21.7-176.800000114.1L47 S68 Y81L47-G70 WeakPolarHBondContact O-CA 3.18Å; L47-G70 PolarHBondContact O-N 3.35Å; S68-G70 PolarHBondContact O-N 3.27Å; G70-Y81 PolarHBondContact O-OH 3.34Å
71C83Confident85.4Confident21 Ų2148.5 Ų48.514%0.14227%0.267CS..EExtended strand (participates in β ladder)trans-88.3143.2-174.4-60.80000112.6V67 S68 S69 V73 M152V67-C71 CarbonylContact C-O 3.52Å; V67-C71 VanDerWaalsContact CA-O 3.23Å; V67-C71 WeakPolarHBondContact CA-O 3.43Å; V67-C71 WeakPolarHBondContact CG1-O 3.36Å; S68-C71 PolarHBondContact N-O 3.39Å; S68-C71 PolarHBondContact O-N 2.94Å; S69-C71 PolarHBondContact O-N 3.46Å; C71-V73 PolarHBondContact O-N 3.43Å; C71-M152 VanDerWaalsContact SG-CE 3.6Å
72P86.2Confident84.1Confident63 Ų6343 Ų4341%0.40925%0.247SC..EExtended strand (participates in β ladder)trans-65.6123.8169.327.9-31.7000110T77 V79P72-T77 HydrophobicContact CB-CG2 4.16Å; P72-T77 WeakPolarHBondContact CB-O 3.42Å; P72-V79 HydrophobicContact CB-CG2 4.16Å; P72-V79 HydrophobicContact CG-CG2 4.33Å
73V87.5Confident82.4Confident62 Ų6249 Ų4938%0.37626%0.262SS..  trans-94.5-39174.6178.60000110.1V65 L66 C71V65-V73 HydrophobicContact CG1-CB 4.43Å; V65-V73 HydrophobicContact CG1-CG2 4.25Å; L66-V73 PolarHBondContact O-N 3.19Å; C71-V73 PolarHBondContact O-N 3.43Å
74D85.6Confident80.5Confident23 Ų2355.1 Ų55.112%0.12328%0.283CS..SBendtrans-83.4131.4178.7-175.8-74.9000110.8H64 L66 S76 T77 Y106H64-D74 IonicContact CD2-OD2 3.92Å; H64-D74 IonicContact CE1-OD2 3.49Å; H64-D74 PolarHBondContact CE1-OD2 2.98Å; H64-D74 IonicContact NE2-OD2 2.77Å; H64-D74 PolarHBondContact NE2-OD2 3.3Å; L66-D74 HydrophobicContact CD2-CB 4.05Å; L66-D74 PolarHBondContact O-N 3.02Å; D74-S76 PolarHBondContact O-N 3.45Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CA 3.25Å; D74-S76 VanDerWaalsContact OD1-CB 3.25Å; D74-S76 WeakPolarHBondContact OD1-CB 2.98Å; D74-S76 PolarHBondContact OD1-N 3.34Å; D74-S76 PolarHBondContact OD1-OG 2.98Å; D74-T77 WeakPolarHBondContact O-CB 3.41Å; D74-T77 PolarHBondContact O-N 3.37Å; D74-Y106 PolarHBondContact OD2-OH 3.09Å
75T84.7Confident78.5Confident121 Ų12161.5 Ų61.574%0.74231%0.305SS*.THydrogen-bonded Turntrans-61.9-18.7-176.361.10000114.6
76S87.3Confident76.1Confident1 Ų161.6 Ų61.61%0.00731%0.308CS..THydrogen-bonded Turntrans-88.7-12.7176.176.40000113.5R25 D74 E101R25-S76 PolarHBondContact NH1-O 3.3Å; R25-S76 PolarHBondContact NH2-O 2.96Å; D74-S76 PolarHBondContact O-N 3.45Å; D74-S76 VanDerWaalsContact O-N 3.08Å; D74-S76 WeakPolarHBondContact OD1-CA 3.25Å; D74-S76 VanDerWaalsContact OD1-CB 3.25Å; D74-S76 WeakPolarHBondContact OD1-CB 2.98Å; D74-S76 PolarHBondContact OD1-N 3.34Å; D74-S76 PolarHBondContact OD1-OG 2.98Å; S76-E101 WeakPolarHBondContact CB-O 3.47Å; S76-E101 PolarHBondContact O-N 2.74Å; S76-E101 PolarHBondContact OG-O 2.91Å; S76-E101 VanDerWaalsContact OG-O 3.04Å
77T88.3Confident73.7Confident7 Ų767.5 Ų67.54%0.04334%0.344CS..  trans-86.2128.2-177.3-59.20000110.6L66 V67 P72 D74 F98 S99 V100L66-T77 HydrophobicContact CB-CG2 4.41Å; V67-T77 HydrophobicContact CG2-CG2 3.88Å; P72-T77 HydrophobicContact CB-CG2 4.16Å; P72-T77 WeakPolarHBondContact CB-O 3.42Å; D74-T77 WeakPolarHBondContact O-CB 3.41Å; D74-T77 PolarHBondContact O-N 3.37Å; T77-F98 HydrophobicContact CG2-CD2 4.09Å; T77-S99 CarbonylContact C-O 3.59Å; T77-S99 VanDerWaalsContact CA-O 3.28Å; T77-S99 WeakPolarHBondContact CA-O 3.41Å; T77-V100 WeakPolarHBondContact OG1-CG2 3.32Å
78M85.9Confident71.4Confident92 Ų9273 Ų7345%0.45337%0.373SS..EExtended strand (participates in β ladder)trans-122.9120.8173.2-61-169.4-76.400108.7F98 S99M78-F98 CarbonylContact O-C 3.58Å; M78-F98 VanDerWaalsContact O-CA 3.31Å; M78-F98 WeakPolarHBondContact O-CA 3.49Å; M78-S99 PolarHBondContact N-O 2.94Å; M78-S99 PolarHBondContact O-N 3.47Å; M78-S99 PolarHBondContact O-OG 3.41Å
79V81.9Confident69.1Low14 Ų1477.1 Ų77.19%0.08540%0.399CS..EExtended strand (participates in β ladder)trans-89.4131178.2-170.30000109.2L47 V67 P72 Y81 R97 F98L47-V79 HydrophobicContact CD1-CG1 4.49Å; V67-V79 HydrophobicContact CG2-CG2 4.06Å; P72-V79 HydrophobicContact CB-CG2 4.16Å; P72-V79 HydrophobicContact CG-CG2 4.33Å; V79-Y81 HydrophobicContact CB-CE1 4.46Å; V79-Y81 HydrophobicContact CB-CE2 3.86Å; V79-Y81 HydrophobicContact CG1-CD1 4.06Å; V79-Y81 HydrophobicContact CG1-CD2 4.26Å; V79-Y81 HydrophobicContact CG1-CE1 3.44Å; V79-Y81 VanDerWaalsContact CG1-CE1 3.44Å; V79-Y81 HydrophobicContact CG1-CE2 3.66Å; V79-Y81 HydrophobicContact CG1-CG 4.44Å; V79-Y81 WeakPolarHBondContact CG1-OH 3.35Å; V79-R97 WeakPolarHBondContact CG1-O 3.27Å; V79-F98 HydrophobicContact CB-CB 4.37Å; V79-F98 HydrophobicContact CG1-CB 4.31Å; V79-F98 HydrophobicContact CG2-CB 4.2Å
80H79.2Confident67.3Low40 Ų4078.4 Ų78.419%0.18542%0.422CS..EExtended strand (participates in β ladder)trans-109.897.6-177.6-64.8-79.1000109R97 S99H80-R97 CarbonylContact C-O 3.51Å; H80-R97 WeakPolarHBondContact CA-O 3.36Å; H80-R97 HydrophobicContact CB-CB 3.91Å; H80-R97 PolarHBondContact N-O 2.79Å; H80-R97 WeakPolarHBondContact O-CB 3.38Å; H80-R97 VanDerWaalsContact O-O 3.12Å; H80-S99 PolarHBondContact NE2-OG 3.02Å
81Y63.3Low65.7Low69 Ų6981.8 Ų81.827%0.27145%0.445SS..EExtended strand (participates in β ladder)trans-84.9122.8176.8-53.4-79.7000110.2G70 V79 R83 M152G70-Y81 PolarHBondContact O-OH 3.34Å; V79-Y81 HydrophobicContact CB-CE1 4.46Å; V79-Y81 HydrophobicContact CB-CE2 3.86Å; V79-Y81 HydrophobicContact CG1-CD1 4.06Å; V79-Y81 HydrophobicContact CG1-CD2 4.26Å; V79-Y81 HydrophobicContact CG1-CE1 3.44Å; V79-Y81 VanDerWaalsContact CG1-CE1 3.44Å; V79-Y81 HydrophobicContact CG1-CE2 3.66Å; V79-Y81 HydrophobicContact CG1-CG 4.44Å; V79-Y81 WeakPolarHBondContact CG1-OH 3.35Å; Y81-R83 PolarHBondContact O-N 2.87Å; Y81-M152 HydrophobicContact CD2-CB 3.7Å; Y81-M152 HydrophobicContact CE2-CB 3.45Å; Y81-M152 VanDerWaalsContact CE2-CB 3.45Å; Y81-M152 HydrophobicContact CE2-CG 4.18Å; Y81-M152 HydrophobicContact CG-CB 4.4Å
82S59.6Low64.1Low47 Ų4783.6 Ų83.633%0.32947%0.467SS..  trans-72.1114175.4-176.10000109.8R84S82-R84 PolarHBondContact O-N 2.84Å; S82-R84 PolarHBondContact OG-N 2.9Å
83R55.4Low62.6Low184 Ų18484.4 Ų84.469%0.69447%0.474SS*.  trans-80.25.1168.4-73.1-160.9-164167.915.1113.6Y81 R85 N153Y81-R83 PolarHBondContact O-N 2.87Å; R83-R85 PolarHBondContact O-N 2.95Å; R83-N153 PolarHBondContact NE-OD1 3.44Å; R83-N153 PolarHBondContact NH2-OD1 3.28Å
84R52.4Low61.8Low212 Ų21282.3 Ų82.380%0.846%0.462SS*.  trans-71.295.4-174.5-86-167.3-177.5-174.22.8111.2S82 S86S82-R84 PolarHBondContact O-N 2.84Å; S82-R84 PolarHBondContact OG-N 2.9Å; R84-S86 PolarHBondContact O-N 3.37Å
85R49.3Very low61.3Low176 Ų17682.1 Ų82.166%0.66446%0.463SS*.  trans-64.587.8148.9-162-177.9-83.8168.5-6.9105.9R83 T87R83-R85 PolarHBondContact O-N 2.95Å; R85-T87 PolarHBondContact O-N 3.03Å
86S43.1Very low61.2Low48 Ų4876.7 Ų76.734%0.33643%0.43SS..  trans-68.9106.4171.6-177.70000107.4R84 L88 S91R84-S86 PolarHBondContact O-N 3.37Å; S86-L88 PolarHBondContact O-N 2.98Å; S86-L88 PolarHBondContact OG-N 3.29Å; S86-S91 WeakPolarHBondContact CB-O 3.19Å; S86-S91 PolarHBondContact OG-O 2.83Å
87T40.2Very low61.2Low124 Ų12480.2 Ų80.276%0.76144%0.443SS*.  trans-74.32174.748.30000112.2R85R85-T87 PolarHBondContact O-N 3.03Å
88L41.5Very low61.3Low114 Ų11479.9 Ų79.960%0.59744%0.441SS*.SBendtrans-94.6122.1174.1-80.890.7000110.7S86 G90 S91S86-L88 PolarHBondContact O-N 2.98Å; S86-L88 PolarHBondContact OG-N 3.29Å; L88-G90 PolarHBondContact O-N 3.16Å; L88-G90 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-N 2.97Å
89P39.1Very low61.6Low133 Ų13375.5 Ų75.586%0.86442%0.419SS*.THydrogen-bonded Turntrans-60.2120.7172.325.4-30.5000108.6
90G44Very low62.1Low91 Ų9174.8 Ų74.894%0.93842%0.415SS*.THydrogen-bonded Turntrans97.2-0178.200000116.8L88L88-G90 PolarHBondContact O-N 3.16Å; L88-G90 VanDerWaalsContact O-N 3.15Å
91S42.5Very low62.6Low76 Ų7674.3 Ų74.353%0.53141%0.413SS..  trans-11673.3-179.2-174.90000111.6S86 L88S86-S91 WeakPolarHBondContact CB-O 3.19Å; S86-S91 PolarHBondContact OG-O 2.83Å; L88-S91 PolarHBondContact O-N 2.97Å
92G49Very low63.6Low58 Ų5871.4 Ų71.460%0.59840%0.402SS*.  trans-172.163.2-177.900000113.9S94G92-S94 VanDerWaalsContact C-N 3.34Å; G92-S94 PolarHBondContact O-N 3.12Å
93S55.7Low64.7Low80 Ų8076.4 Ų76.456%0.55941%0.414SS*.  trans-60.7105.9161.959.70000107.6S95S93-S95 PolarHBondContact O-N 2.78Å; S93-S95 PolarHBondContact O-OG 2.83Å
94S69Low65.9Low18 Ų1873.4 Ų73.413%0.12641%0.408CS..  trans-58.9123.4173.757.50000108.9L32 L43 P45 G92L32-S94 PolarHBondContact N-O 3.33Å; L43-S94 WeakPolarHBondContact O-CB 3.37Å; L43-S94 PolarHBondContact O-OG 2.85Å; P45-S94 WeakPolarHBondContact CD-O 3.31Å; P45-S94 WeakPolarHBondContact CD-OG 3.3Å; P45-S94 WeakPolarHBondContact CG-O 3.38Å; G92-S94 VanDerWaalsContact C-N 3.34Å; G92-S94 PolarHBondContact O-N 3.12Å
95S76.6Confident67Low19 Ų1965.7 Ų65.713%0.13338%0.38CS..EExtended strand (participates in β ladder)trans-131.6138.2-174.829.50000108.8D29 V30 S93 R97D29-S95 WeakPolarHBondContact OD1-CB 3.35Å; V30-S95 CarbonylContact O-C 3.47Å; V30-S95 WeakPolarHBondContact O-CA 3.39Å; S93-S95 PolarHBondContact O-N 2.78Å; S93-S95 PolarHBondContact O-OG 2.83Å; S95-R97 PolarHBondContact OG-NH2 3.42Å
96S82.2Confident68.5Low8 Ų858.5 Ų58.56%0.05635%0.353CS..EExtended strand (participates in β ladder)trans-111123.9168.6-167.20000108.5V30 P45 L47V30-S96 PolarHBondContact N-O 3.19Å; V30-S96 PolarHBondContact O-N 3.49Å; P45-S96 WeakPolarHBondContact O-CB 3.37Å; L47-S96 WeakPolarHBondContact CD1-OG 3.35Å; L47-S96 WeakPolarHBondContact CG-OG 3.48Å
97R87.5Confident70.4Confident74 Ų7456.8 Ų56.828%0.27934%0.34SS..EExtended strand (participates in β ladder)trans-119.8146.2-170.1-67.6168.3-177.5167.33.1110.3F9 V28 D29 V79 H80 S95F9-R97 HydrophobicContact CD1-CG 4.27Å; F9-R97 HydrophobicContact CE1-CB 3.9Å; F9-R97 HydrophobicContact CE1-CG 3.74Å; F9-R97 HydrophobicContact CE2-CB 4.37Å; F9-R97 HydrophobicContact CE2-CG 4.31Å; F9-R97 HydrophobicContact CZ-CB 3.63Å; F9-R97 HydrophobicContact CZ-CG 3.79Å; V28-R97 VanDerWaalsContact O-CA 3.26Å; V28-R97 WeakPolarHBondContact O-CA 3.27Å; D29-R97 HydrophobicContact CB-CG 4.14Å; D29-R97 IonicContact OD1-NE 3.56Å; D29-R97 IonicContact OD2-CZ 3.43Å; D29-R97 IonicContact OD2-NE 3.93Å; D29-R97 PolarHBondContact OD2-NE 2.96Å; D29-R97 IonicContact OD2-NH2 2.89Å; D29-R97 PolarHBondContact OD2-NH2 2.87Å; V79-R97 WeakPolarHBondContact CG1-O 3.27Å; H80-R97 CarbonylContact C-O 3.51Å; H80-R97 WeakPolarHBondContact CA-O 3.36Å; H80-R97 HydrophobicContact CB-CB 3.91Å; H80-R97 PolarHBondContact N-O 2.79Å; H80-R97 WeakPolarHBondContact O-CB 3.38Å; H80-R97 VanDerWaalsContact O-O 3.12Å; S95-R97 PolarHBondContact OG-NH2 3.42Å
98F90.2Very high72.2Confident0 Ų055.8 Ų55.80%034%0.335CS..EExtended strand (participates in β ladder)trans-148.7165.2167.969.6-84.3000109.8V28 L47 C50 L66 T77 M78 V79 V100 L114V28-F98 HydrophobicContact CB-CD1 3.9Å; V28-F98 HydrophobicContact CB-CD2 4.39Å; V28-F98 HydrophobicContact CB-CE1 3.54Å; V28-F98 HydrophobicContact CB-CE2 4.06Å; V28-F98 HydrophobicContact CB-CG 4.33Å; V28-F98 HydrophobicContact CB-CZ 3.64Å; V28-F98 HydrophobicContact CG1-CD1 4.19Å; V28-F98 HydrophobicContact CG1-CE1 3.45Å; V28-F98 VanDerWaalsContact CG1-CE1 3.45Å; V28-F98 HydrophobicContact CG1-CZ 3.72Å; V28-F98 HydrophobicContact CG2-CD2 4.43Å; V28-F98 HydrophobicContact CG2-CE1 4.17Å; V28-F98 HydrophobicContact CG2-CE2 3.85Å; V28-F98 HydrophobicContact CG2-CZ 3.72Å; V28-F98 PolarHBondContact N-O 3.14Å; V28-F98 PolarHBondContact O-N 2.93Å; L47-F98 HydrophobicContact CD1-CD1 3.65Å; L47-F98 HydrophobicContact CD1-CE1 4.28Å; L47-F98 HydrophobicContact CD1-CG 4.45Å; C50-F98 HydrophobicContact CB-CZ 4.25Å; L66-F98 HydrophobicContact CD1-CE2 4.15Å; T77-F98 HydrophobicContact CG2-CD2 4.09Å; M78-F98 CarbonylContact O-C 3.58Å; M78-F98 VanDerWaalsContact O-CA 3.31Å; M78-F98 WeakPolarHBondContact O-CA 3.49Å; V79-F98 HydrophobicContact CB-CB 4.37Å; V79-F98 HydrophobicContact CG1-CB 4.31Å; V79-F98 HydrophobicContact CG2-CB 4.2Å; F98-V100 HydrophobicContact CE2-CG1 4.33Å; F98-L114 HydrophobicContact CZ-CD1 4.34Å; F98-L114 HydrophobicContact CZ-CD2 3.98Å
99S91.8Very high73.9Confident0 Ų054.5 Ų54.50%035%0.35CS..EExtended strand (participates in β ladder)trans-130.9144.2174.667.10000109.1R25 I26 T77 M78 H80R25-S99 PolarHBondContact NH1-OG 2.97Å; I26-S99 CarbonylContact O-C 3.47Å; I26-S99 WeakPolarHBondContact O-CA 3.36Å; I26-S99 WeakPolarHBondContact O-CB 3.35Å; T77-S99 CarbonylContact C-O 3.59Å; T77-S99 VanDerWaalsContact CA-O 3.28Å; T77-S99 WeakPolarHBondContact CA-O 3.41Å; M78-S99 PolarHBondContact N-O 2.94Å; M78-S99 PolarHBondContact O-N 3.47Å; M78-S99 PolarHBondContact O-OG 3.41Å; H80-S99 PolarHBondContact NE2-OG 3.02Å
100V92Very high75.9Confident0 Ų049.6 Ų49.60%032%0.319CS..EExtended strand (participates in β ladder)trans-136.6141.917958.10000108.8R25 I26 F52 L66 T77 F98R25-V100 WeakPolarHBondContact CA-O 3.41Å; I26-V100 HydrophobicContact CD1-CG1 3.63Å; I26-V100 HydrophobicContact CG1-CG1 3.36Å; I26-V100 PolarHBondContact N-O 3.36Å; I26-V100 PolarHBondContact O-N 3.5Å; F52-V100 HydrophobicContact CE2-CG1 4.43Å; F52-V100 HydrophobicContact CE2-CG2 4.4Å; F52-V100 HydrophobicContact CZ-CG1 4.11Å; L66-V100 HydrophobicContact CD1-CB 4.44Å; L66-V100 HydrophobicContact CD1-CG1 4.24Å; L66-V100 HydrophobicContact CD1-CG2 4.26Å; L66-V100 HydrophobicContact CD2-CG2 3.85Å; T77-V100 WeakPolarHBondContact OG1-CG2 3.32Å; F98-V100 HydrophobicContact CE2-CG1 4.33Å
101E90.5Very high78.1Confident30 Ų3049.5 Ų49.514%0.1429%0.293CS..  trans-123.292.8178.7-178.9-176.4153.300108.4G23 R25 S76 R103G23-E101 WeakPolarHBondContact O-CG 3.27Å; R25-E101 HydrophobicContact CB-CB 4.19Å; R25-E101 HydrophobicContact CB-CG 4.46Å; R25-E101 HydrophobicContact CG-CB 4.45Å; R25-E101 IonicContact CZ-OE2 3.48Å; R25-E101 IonicContact NE-OE2 3.6Å; R25-E101 PolarHBondContact NE-OE2 3.3Å; R25-E101 VanDerWaalsContact NH2-CB 3.31Å; R25-E101 IonicContact NH2-OE2 2.76Å; R25-E101 PolarHBondContact NH2-OE2 3.4Å; S76-E101 WeakPolarHBondContact CB-O 3.47Å; S76-E101 PolarHBondContact O-N 2.74Å; S76-E101 PolarHBondContact OG-O 2.91Å; S76-E101 VanDerWaalsContact OG-O 3.04Å; E101-R103 PolarHBondContact O-N 3.35Å
102P84.6Confident80.3Confident7 Ų746 Ų465%0.04527%0.268CS..  trans-57.8111.3-178.9-20.431.5000110.3L20 G23 Q24 Y106L20-P102 HydrophobicContact CD2-CG 3.91Å; L20-P102 HydrophobicContact CG-CG 4.49Å; G23-P102 PolarHBondContact N-O 3.46Å; Q24-P102 WeakPolarHBondContact O-CD 3.12Å; P102-Y106 HydrophobicContact CB-CE2 4.04Å
103R81.4Confident82.4Confident153 Ų15344.6 Ų44.658%0.57725%0.245SC*.SBendtrans-82.2-19.8178.1-67-171.4174.11731112.6I22 E101I22-R103 WeakPolarHBondContact CG2-O 3.38Å; E101-R103 PolarHBondContact O-N 3.35Å
104Q81.1Confident84.2Confident120 Ų12040.8 Ų40.856%0.56122%0.219SC*.SBendtrans-142.2165177.967.4-176.621.700110Y106Q104-Y106 HydrophobicContact CG-CD1 3.84Å; Q104-Y106 HydrophobicContact CG-CE1 3.69Å; Q104-Y106 PolarHBondContact O-N 3.32Å
105F75.9Confident85.4Confident50 Ų5039.9 Ų39.922%0.21921%0.213CC..  trans-76.2109.9166.8-59.8-58.8000109.5I22 F107 P108 P198 I200I22-F105 HydrophobicContact CD1-CD1 4.23Å; I22-F105 HydrophobicContact CD1-CD2 3.75Å; I22-F105 HydrophobicContact CD1-CE1 3.71Å; I22-F105 HydrophobicContact CD1-CE2 3.14Å; I22-F105 HydrophobicContact CD1-CG 4.26Å; I22-F105 HydrophobicContact CD1-CZ 3.14Å; I22-F105 HydrophobicContact CG1-CD1 4.04Å; I22-F105 HydrophobicContact CG1-CD2 4.45Å; I22-F105 HydrophobicContact CG1-CE1 3.48Å; I22-F105 VanDerWaalsContact CG1-CE1 3.48Å; I22-F105 HydrophobicContact CG1-CE2 3.94Å; I22-F105 HydrophobicContact CG1-CZ 3.43Å; I22-F105 VanDerWaalsContact CG1-CZ 3.43Å; F105-F107 PolarHBondContact O-N 3.42Å; F105-P108 HydrophobicContact CB-CB 4.25Å; F105-P198 HydrophobicContact CD1-CB 3.24Å; F105-P198 HydrophobicContact CD1-CG 4.22Å; F105-P198 HydrophobicContact CE1-CB 3.34Å; F105-P198 HydrophobicContact CG-CB 4.37Å; F105-I200 HydrophobicContact CD2-CG1 4.46Å; F105-I200 HydrophobicContact CE2-CD1 3.66Å; F105-I200 HydrophobicContact CE2-CG1 3.22Å; F105-I200 HydrophobicContact CZ-CB 4.35Å; F105-I200 HydrophobicContact CZ-CD1 4.2Å; F105-I200 HydrophobicContact CZ-CG1 3.26Å
106Y80.4Confident86.2Confident26 Ų2639 Ų3910%0.10221%0.206CC..SBendtrans-64.4-32.5173.6-54.4-52.9000111.3F52 H64 D74 P102 Q104 M112F52-Y106 AromaticContact CD2-CD2 3.63Å; F52-Y106 HydrophobicContact CD2-CD2 3.63Å; F52-Y106 AromaticContact CD2-CE2 3.78Å; F52-Y106 HydrophobicContact CD2-CE2 3.78Å; F52-Y106 HydrophobicContact CE2-CD2 4.09Å; F52-Y106 AromaticContact CE2-CE2 3.83Å; F52-Y106 HydrophobicContact CE2-CE2 3.83Å; F52-Y106 HydrophobicContact CG-CD2 4.47Å; H64-Y106 HydrophobicContact CB-CD1 4.39Å; H64-Y106 HydrophobicContact CB-CD2 4.42Å; H64-Y106 HydrophobicContact CB-CG 4.05Å; H64-Y106 AromaticContact CD2-CD1 3.59Å; H64-Y106 AromaticContact CD2-CD2 3.66Å; H64-Y106 AromaticContact CD2-CE1 3.52Å; H64-Y106 AromaticContact CD2-CE2 3.59Å; H64-Y106 AromaticContact CD2-CG 3.69Å; H64-Y106 AromaticContact CD2-CZ 3.52Å; H64-Y106 AromaticContact CE1-CD1 3.49Å; H64-Y106 VanDerWaalsContact CE1-CD1 3.49Å; H64-Y106 WeakPolarHBondContact CE1-CD1 3.5Å; H64-Y106 AromaticContact CE1-CE1 3.32Å; H64-Y106 WeakPolarHBondContact CE1-CE1 3.39Å; H64-Y106 AromaticContact CE1-CZ 4Å; H64-Y106 AromaticContact CG-CD1 3.53Å; H64-Y106 AromaticContact CG-CD2 4Å; H64-Y106 AromaticContact CG-CE1 3.93Å; H64-Y106 AromaticContact CG-CG 3.6Å; H64-Y106 AromaticContact ND1-CD1 3.5Å; H64-Y106 WeakPolarHBondContact ND1-CD1 3.49Å; H64-Y106 AromaticContact ND1-CE1 3.84Å; H64-Y106 AromaticContact NE2-CD1 3.55Å; H64-Y106 AromaticContact NE2-CE1 3.1Å; H64-Y106 WeakPolarHBondContact NE2-CE1 3.47Å; H64-Y106 AromaticContact NE2-CE2 3.87Å; H64-Y106 AromaticContact NE2-CZ 3.28Å; H64-Y106 VanDerWaalsContact NE2-CZ 3.28Å; D74-Y106 PolarHBondContact OD2-OH 3.09Å; P102-Y106 HydrophobicContact CB-CE2 4.04Å; Q104-Y106 HydrophobicContact CG-CD1 3.84Å; Q104-Y106 HydrophobicContact CG-CE1 3.69Å; Q104-Y106 PolarHBondContact O-N 3.32Å; Y106-M112 HydrophobicContact CD2-CE 3.56Å; Y106-M112 HydrophobicContact CE2-CE 4.45Å; Y106-M112 HydrophobicContact CG-CE 4.34Å
107F83.4Confident86.6Confident12 Ų1242.2 Ų42.25%0.05322%0.217CC..SBendtrans-13781.5177.9-46.1-59.1000111.7F52 T53 R54 P62 H64 F105 G109 S110 M112F52-F107 HydrophobicContact CB-CE2 3.84Å; F52-F107 WeakPolarHBondContact O-CZ 3.46Å; T53-F107 VanDerWaalsContact C-CE2 3.41Å; T53-F107 VanDerWaalsContact CA-CE2 3.45Å; R54-F107 HydrophobicContact CG-CB 3.57Å; R54-F107 HydrophobicContact CG-CD1 3.62Å; R54-F107 HydrophobicContact CG-CD2 3.76Å; R54-F107 HydrophobicContact CG-CE1 4.31Å; R54-F107 HydrophobicContact CG-CE2 4.4Å; R54-F107 HydrophobicContact CG-CG 3.34Å; P62-F107 HydrophobicContact CB-CE1 4.12Å; P62-F107 HydrophobicContact CG-CD1 4.06Å; P62-F107 HydrophobicContact CG-CE1 3.62Å; P62-F107 WeakPolarHBondContact O-CZ 3.1Å; H64-F107 HydrophobicContact CB-CZ 4.16Å; F105-F107 PolarHBondContact O-N 3.42Å; F107-G109 PolarHBondContact O-N 2.97Å; F107-S110 WeakPolarHBondContact CB-OG 3.37Å; F107-S110 PolarHBondContact O-N 3.44Å; F107-S110 PolarHBondContact O-OG 3.01Å; F107-M112 HydrophobicContact CD2-CG 4.03Å
108P78.1Confident86.6Confident102 Ų10239 Ų3966%0.66221%0.206SC*.THydrogen-bonded Turntrans-58.2139.1-176.224.8-34.1000111.7F105 S110F105-P108 HydrophobicContact CB-CB 4.25Å; P108-S110 PolarHBondContact O-N 3.06Å
109G76.2Confident86.3Confident88 Ų8839.1 Ų39.191%0.90721%0.207SC*.THydrogen-bonded Turntrans70.96.4177.800000115.8F107F107-G109 PolarHBondContact O-N 2.97Å
110S82.8Confident85.7Confident29 Ų2941.5 Ų41.520%0.20322%0.221CC..SBendtrans-127.9155.3-179.766.20000112.2F107 P108 P198F107-S110 WeakPolarHBondContact CB-OG 3.37Å; F107-S110 PolarHBondContact O-N 3.44Å; F107-S110 PolarHBondContact O-OG 3.01Å; P108-S110 PolarHBondContact O-N 3.06Å; S110-P198 VanDerWaalsContact O-CD 3.27Å; S110-P198 WeakPolarHBondContact O-CD 3.49Å; S110-P198 WeakPolarHBondContact O-CG 3.38Å
111F88.5Confident84.8Confident89 Ų8941.7 Ų41.739%0.3922%0.223SC..  trans-66.4143.7169.9-64.1-79000110.1P17 R54 F113 P195 L196 H197P17-F111 HydrophobicContact CB-CD1 4.21Å; P17-F111 HydrophobicContact CB-CE1 3.78Å; P17-F111 HydrophobicContact CG-CE1 4.13Å; R54-F111 CarbonylContact C-O 3.47Å; R54-F111 WeakPolarHBondContact CA-O 3.4Å; F111-F113 HydrophobicContact CB-CE2 3.89Å; F111-F113 HydrophobicContact CB-CZ 4.36Å; F111-P195 HydrophobicContact CB-CB 4.23Å; F111-P195 HydrophobicContact CD1-CB 4.02Å; F111-P195 HydrophobicContact CG-CB 4.29Å; F111-L196 CarbonylContact C-O 3.58Å; F111-L196 WeakPolarHBondContact CA-O 3.28Å; F111-H197 HydrophobicContact CD1-CB 3.9Å; F111-H197 AromaticContact CD1-ND1 3.49Å; F111-H197 WeakPolarHBondContact CD1-ND1 3.45Å; F111-H197 HydrophobicContact CE1-CB 3.83Å; F111-H197 AromaticContact CE1-CG 3.8Å; F111-H197 AromaticContact CE1-ND1 3.06Å; F111-H197 WeakPolarHBondContact CE1-ND1 3.48Å; F111-H197 AromaticContact CZ-ND1 3.59Å
112M90.1Very high83.8Confident3 Ų342.5 Ų42.52%0.01523%0.232CC..BIsolated β-bridgetrans-108.4139.5176.1-52.5173.749.100109.2F52 T53 Y106 F107 L196 P198F52-M112 HydrophobicContact CB-CE 4.12Å; F52-M112 HydrophobicContact CD1-CE 4.03Å; F52-M112 HydrophobicContact CD2-CE 3.93Å; F52-M112 HydrophobicContact CE1-CE 4.39Å; F52-M112 HydrophobicContact CE2-CE 4.29Å; F52-M112 HydrophobicContact CG-CE 3.79Å; T53-M112 CarbonylContact O-C 3.6Å; T53-M112 VanDerWaalsContact O-CA 3.32Å; T53-M112 WeakPolarHBondContact O-CA 3.43Å; Y106-M112 HydrophobicContact CD2-CE 3.56Å; Y106-M112 HydrophobicContact CE2-CE 4.45Å; Y106-M112 HydrophobicContact CG-CE 4.34Å; F107-M112 HydrophobicContact CD2-CG 4.03Å; M112-L196 HydrophobicContact CB-CB 4.27Å; M112-L196 PolarHBondContact N-O 2.71Å; M112-L196 WeakPolarHBondContact O-CB 3.32Å; M112-L196 PolarHBondContact O-N 2.74Å; M112-P198 HydrophobicContact CG-CG 4.18Å; M112-P198 HydrophobicContact SD-CB 4.2Å; M112-P198 HydrophobicContact SD-CG 3.97Å
113F92.2Very high82.7Confident28 Ų2843.8 Ų43.812%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-122.7129.8176-63.1-98.9000108.4F52 T53 S55 F111 H115 P195F52-F113 CarbonylContact C-O 3.56Å; F52-F113 VanDerWaalsContact CA-O 3.27Å; F52-F113 WeakPolarHBondContact CA-O 3.29Å; T53-F113 PolarHBondContact N-O 3.29Å; T53-F113 PolarHBondContact O-N 3.32Å; S55-F113 WeakPolarHBondContact O-CB 3.45Å; S55-F113 WeakPolarHBondContact O-CD2 3.47Å; S55-F113 WeakPolarHBondContact O-CG 3.39Å; F111-F113 HydrophobicContact CB-CE2 3.89Å; F111-F113 HydrophobicContact CB-CZ 4.36Å; F113-H115 WeakPolarHBondContact CB-NE2 3.25Å; F113-H115 PolarHBondContact O-CD2 3.49Å; F113-P195 HydrophobicContact CD1-CB 4.4Å; F113-P195 HydrophobicContact CE1-CB 3.65Å; F113-P195 HydrophobicContact CE1-CG 4.25Å; F113-P195 HydrophobicContact CE2-CB 4.48Å; F113-P195 HydrophobicContact CZ-CB 3.71Å
114L93.6Very high81.5Confident0 Ų046.3 Ų46.30%025%0.245CC..EExtended strand (participates in β ladder)trans-91124.3177.1179.658.9000108.9M1 I3 V28 F52 L66 F98 S192 S193M1-L114 HydrophobicContact CE-CB 3.94Å; M1-L114 HydrophobicContact CE-CD2 3.35Å; M1-L114 HydrophobicContact CE-CG 3.54Å; I3-L114 HydrophobicContact CD1-CD2 4.44Å; V28-L114 HydrophobicContact CG1-CD2 4.16Å; V28-L114 HydrophobicContact CG2-CD2 3.68Å; F52-L114 HydrophobicContact CD1-CB 3.88Å; F52-L114 HydrophobicContact CD1-CD1 3.93Å; F52-L114 HydrophobicContact CD1-CG 4.47Å; F52-L114 HydrophobicContact CE1-CB 3.72Å; F52-L114 HydrophobicContact CE1-CD1 3.77Å; F52-L114 HydrophobicContact CE1-CD2 4.37Å; F52-L114 HydrophobicContact CE1-CG 4.15Å; F52-L114 HydrophobicContact CZ-CD1 4.23Å; L66-L114 HydrophobicContact CD1-CD1 3.67Å; F98-L114 HydrophobicContact CZ-CD1 4.34Å; F98-L114 HydrophobicContact CZ-CD2 3.98Å; L114-S192 CarbonylContact O-C 3.51Å; L114-S192 VanDerWaalsContact O-CA 3.29Å; L114-S192 WeakPolarHBondContact O-CA 3.26Å; L114-S193 WeakPolarHBondContact CB-OG 3.2Å; L114-S193 PolarHBondContact N-OG 3.47Å; L114-S193 PolarHBondContact O-N 3.3Å
115H94.7Very high80.1Confident0 Ų044.4 Ų44.40%024%0.239CC..EExtended strand (participates in β ladder)trans-118.1141.1175.6-52.7-82.3000109.5C50 F51 T53 S55 S56 P58 F113 V191 S192C50-H115 CarbonylContact C-O 3.5Å; C50-H115 VanDerWaalsContact CA-O 3.23Å; C50-H115 WeakPolarHBondContact CA-O 3.34Å; F51-H115 HydrophobicContact CD2-CB 4.09Å; F51-H115 HydrophobicContact CE1-CB 4.46Å; F51-H115 HydrophobicContact CE2-CB 3.62Å; F51-H115 AromaticContact CE2-CD2 3.87Å; F51-H115 AromaticContact CE2-CG 3.95Å; F51-H115 HydrophobicContact CZ-CB 3.83Å; F51-H115 PolarHBondContact N-O 3.46Å; F51-H115 PolarHBondContact O-N 3.1Å; T53-H115 PolarHBondContact OG1-CD2 2.77Å; T53-H115 PolarHBondContact OG1-NE2 3.31Å; S55-H115 PolarHBondContact O-NE2 3.39Å; S55-H115 VanDerWaalsContact O-NE2 3.15Å; S56-H115 PolarHBondContact O-CE1 3Å; P58-H115 HydrophobicContact CB-CB 4.15Å; F113-H115 WeakPolarHBondContact CB-NE2 3.25Å; F113-H115 PolarHBondContact O-CD2 3.49Å; H115-V191 CarbonylContact C-O 3.56Å; H115-V191 WeakPolarHBondContact CA-O 3.34Å; H115-S192 VanDerWaalsContact ND1-CB 3.32Å; H115-S192 WeakPolarHBondContact ND1-CB 3.48Å; H115-S192 PolarHBondContact ND1-OG 2.83Å
116C93.1Very high78.7Confident0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-129131.1169.1-70.60000110L47 E49 C50 V118 F190 V191L47-C116 HydrophobicContact CD2-CB 4.47Å; E49-C116 CarbonylContact O-C 3.48Å; E49-C116 VanDerWaalsContact O-CA 3.25Å; E49-C116 WeakPolarHBondContact O-CA 3.32Å; C50-C116 HydrophobicContact CB-CB 4.19Å; C50-C116 WeakPolarHBondContact CB-SG 3.23Å; C50-C116 WeakPolarHBondContact SG-CB 3.08Å; C50-C116 CovalentContact SG-SG 2.05Å; C50-C116 PolarHBondContact SG-SG 2.94Å; C116-V118 HydrophobicContact CB-CG2 4.14Å; C116-F190 WeakPolarHBondContact O-CA 3.42Å; C116-V191 HydrophobicContact CB-CG2 3.88Å; C116-V191 PolarHBondContact N-O 2.85Å; C116-V191 WeakPolarHBondContact O-CG2 3.31Å; C116-V191 PolarHBondContact O-N 2.78Å
117R91.6Very high76.9Confident75 Ų7551.6 Ų51.628%0.28328%0.284SS..EExtended strand (participates in β ladder)trans-86.3118.3163.8-166.9176.3-178.5173.80.3108.1K48 E49 T188 F190K48-R117 WeakPolarHBondContact CA-O 3.33Å; K48-R117 HydrophobicContact CB-CB 4.5Å; K48-R117 HydrophobicContact CB-CG 4.48Å; K48-R117 WeakPolarHBondContact CB-O 3.38Å; K48-R117 PolarHBondContact N-O 2.93Å; E49-R117 HydrophobicContact CB-CB 4.17Å; E49-R117 PolarHBondContact N-O 3.24Å; E49-R117 PolarHBondContact O-N 3.16Å; R117-T188 PolarHBondContact NE-OG1 3.28Å; R117-T188 PolarHBondContact NH2-OG1 3.23Å; R117-F190 HydrophobicContact CB-CD1 4.02Å; R117-F190 HydrophobicContact CB-CE1 3.63Å; R117-F190 HydrophobicContact CB-CZ 4.09Å; R117-F190 HydrophobicContact CG-CD1 4.41Å; R117-F190 HydrophobicContact CG-CE1 3.96Å; R117-F190 HydrophobicContact CG-CE2 4.3Å; R117-F190 HydrophobicContact CG-CZ 3.91Å
118V87.5Confident75Confident8 Ų857.7 Ų57.75%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-116.9134.3-173.5-175.30000108.8V30 P45 L46 L47 C116 T188 F189 V191V30-V118 HydrophobicContact CG1-CG1 4.15Å; V30-V118 HydrophobicContact CG1-CG2 3.76Å; P45-V118 HydrophobicContact CB-CG1 3.72Å; L46-V118 CarbonylContact O-C 3.5Å; L46-V118 VanDerWaalsContact O-CA 3.31Å; L46-V118 WeakPolarHBondContact O-CA 3.44Å; L46-V118 WeakPolarHBondContact O-CG1 3.24Å; L47-V118 HydrophobicContact CD2-CG2 4.41Å; C116-V118 HydrophobicContact CB-CG2 4.14Å; V118-T188 WeakPolarHBondContact O-CA 3.17Å; V118-F189 PolarHBondContact N-O 3.26Å; V118-F189 PolarHBondContact O-N 2.92Å; V118-V191 HydrophobicContact CG2-CG2 3.79Å
119A83.6Confident73.1Confident1 Ų156 Ų561%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-103.4151.6166.900000109L46 T188L46-A119 PolarHBondContact N-O 2.85Å; L46-A119 PolarHBondContact O-N 3.45Å; A119-T188 HydrophobicContact CB-CG2 4.42Å
120V78.3Confident71.4Confident50 Ų5060 Ų6030%0.30332%0.318SS..EExtended strand (participates in β ladder)trans-105.7125.4173.2-178.40000108L32 L43L32-V120 HydrophobicContact CD1-CG1 4.02Å; L32-V120 HydrophobicContact CD2-CG2 4.01Å; L43-V120 HydrophobicContact CB-CG1 4.01Å; L43-V120 HydrophobicContact CD1-CG1 4.44Å; L43-V120 HydrophobicContact CD2-CG1 4.01Å; L43-V120 HydrophobicContact CG-CG1 4.38Å
121C72.8Confident69.3Low5 Ų565.8 Ų65.83%0.03435%0.346CS..EExtended strand (participates in β ladder)trans-113.7148174.9-54.80000110.1L43 R44 C143L43-C121 CarbonylContact C-O 3.47Å; L43-C121 WeakPolarHBondContact CA-O 3.45Å; R44-C121 PolarHBondContact N-O 3.04Å; R44-C121 PolarHBondContact O-N 3.11Å; C121-C143 HydrophobicContact CB-CB 4.25Å; C121-C143 WeakPolarHBondContact CB-SG 3.17Å; C121-C143 VanDerWaalsContact SG-CA 3.57Å; C121-C143 WeakPolarHBondContact SG-CB 3.3Å; C121-C143 CovalentContact SG-SG 2.04Å; C121-C143 PolarHBondContact SG-SG 3.3Å
122S70.4Confident67.1Low47 Ų4769.9 Ų69.933%0.32937%0.371SS..EExtended strand (participates in β ladder)trans-90.8120.2167.660.90000109.2
123W61.4Low64.8Low33 Ų3373.1 Ų73.113%0.12541%0.405CS..EExtended strand (participates in β ladder)trans-74.3121.8164.8-175.5-85.5000108.2D42 R44 D125 E141 C149 N150D42-W123 HydrophobicContact CB-CB 3.98Å; D42-W123 WeakPolarHBondContact O-CB 3.39Å; D42-W123 PolarHBondContact O-N 3.29Å; D42-W123 WeakPolarHBondContact OD2-CB 3.25Å; R44-W123 HydrophobicContact CG-CB 4.47Å; W123-D125 PolarHBondContact NE1-OD1 2.93Å; W123-E141 HydrophobicContact CE3-CG 4.36Å; W123-E141 HydrophobicContact CZ3-CG 4.36Å; W123-E141 WeakPolarHBondContact CZ3-OE1 3.42Å; W123-E141 WeakPolarHBondContact CZ3-OE2 3.43Å; W123-C149 HydrophobicContact CE3-CB 4.31Å; W123-C149 HydrophobicContact CZ3-CB 4.05Å; W123-N150 VanDerWaalsContact CH2-CG 3.46Å; W123-N150 VanDerWaalsContact CH2-ND2 3.31Å; W123-N150 WeakPolarHBondContact CH2-ND2 2.96Å; W123-N150 WeakPolarHBondContact CH2-OD1 3.33Å
124R56.8Low62.2Low207 Ų20779.6 Ų79.678%0.78144%0.441SS*.  trans-112.3117.8166.1-75.2-169.5174.5113.6-1.1107.1Q126R124-Q126 PolarHBondContact O-N 2.92Å
125D50.7Low59.9Low80 Ų8087.4 Ų87.443%0.42848%0.483SS..  trans-60.2122174.3-93.8-23.7000109.1W123 S127W123-D125 PolarHBondContact NE1-OD1 2.93Å; D125-S127 PolarHBondContact O-N 3.34Å
126Q46.9Very low57.3Low137 Ų13790.4 Ų90.464%0.6451%0.513SS*.THydrogen-bonded Turntrans-73.919175.6-151.3166.342.100112.2R124R124-Q126 PolarHBondContact O-N 2.92Å
127S41.7Very low54.9Low89 Ų8995 Ų9562%0.62254%0.544SS*.THydrogen-bonded Turntrans-89.55.7-175.358.10000114.7D125D125-S127 PolarHBondContact O-N 3.34Å
128V43.6Very low52.4Low141 Ų14196.5 Ų96.586%0.85557%0.565SS**  trans-110.161167.5-168.50000108.6
129G38.6Very low50.3Low65 Ų65100.2 Ų100.267%0.6759%0.585SS**  trans-121.411.4176.900000113.4
130E40.3Very low48.2Very low174 Ų174101.9 Ų101.981%0.81360%0.599SS**SBendtrans-90.9107.8166.4-71.4-177.9106.900107.9
131N37.9Very low46.6Very low150 Ų150100.4 Ų100.480%0.80259%0.589SS**SBendtrans100.336165.5-47.2-64.9000120.3
132L43Very low45.3Very low175 Ų175109.2 Ų109.292%0.91662%0.621SS**SBendtrans-136.3129149.8-86.5104.2000110.3
133G42.2Very low44.3Very low70 Ų70107 Ų10772%0.72261%0.606SS**  trans-55.6135.2-16300000115.8D135G133-D135 PolarHBondContact O-N 2.95Å
134N37.3Very low43.7Very low165 Ų165109.2 Ų109.288%0.88262%0.624SS**SBendtrans2617.8134.1-69.7-1.3000123.3
135D45.3Very low43.4Very low164 Ų164102.1 Ų102.188%0.87760%0.602SS**  trans-141.132.8174.1-80.5-46000112.8G133G133-D135 PolarHBondContact O-N 2.95Å
136G40.4Very low43.2Very low62 Ų62101.5 Ų101.564%0.63962%0.615SS**  trans-103.8127.417400000111.1S138G136-S138 PolarHBondContact O-N 3.09Å
137P43.1Very low43.5Very low98 Ų9896.3 Ų96.364%0.63659%0.591SS**  trans-57.4135.5171.326.7-32.2000107.8D139P137-D139 VanDerWaalsContact CG-OD2 3.3Å; P137-D139 WeakPolarHBondContact CG-OD2 3.34Å; P137-D139 PolarHBondContact O-N 3.03Å
138S38.7Very low44Very low106 Ų10695 Ų9574%0.74158%0.575SS**  trans-61.768.2164.753.60000109G136 A140G136-S138 PolarHBondContact O-N 3.09Å; S138-A140 PolarHBondContact O-N 2.84Å
139D42.9Very low44.5Very low85 Ų8590.2 Ų90.246%0.45555%0.547SS..  trans-79.363.4174.6-80.3-35.9000108P137 E141 R142P137-D139 VanDerWaalsContact CG-OD2 3.3Å; P137-D139 WeakPolarHBondContact CG-OD2 3.34Å; P137-D139 PolarHBondContact O-N 3.03Å; D139-E141 PolarHBondContact O-N 2.54Å; D139-R142 IonicContact OD1-NH1 2.88Å; D139-R142 PolarHBondContact OD1-NH1 3.07Å
140A40.1Very low44.8Very low37 Ų3790.9 Ų90.931%0.30654%0.536SS..  trans-38.3130.4150.600000108S138 R142 H148S138-A140 PolarHBondContact O-N 2.84Å; A140-R142 PolarHBondContact O-N 2.99Å; A140-H148 WeakPolarHBondContact CA-NE2 3.19Å; A140-H148 WeakPolarHBondContact CB-CE1 3.5Å; A140-H148 WeakPolarHBondContact CB-NE2 3.21Å; A140-H148 PolarHBondContact O-NE2 2.76Å
141E45.5Very low45Very low19 Ų1988.5 Ų88.59%0.08953%0.529CS..  trans-17109.2-169.1-67.7-178.887.200118.2W123 D139 C143 H148 C149 N150W123-E141 HydrophobicContact CE3-CG 4.36Å; W123-E141 HydrophobicContact CZ3-CG 4.36Å; W123-E141 WeakPolarHBondContact CZ3-OE1 3.42Å; W123-E141 WeakPolarHBondContact CZ3-OE2 3.43Å; D139-E141 PolarHBondContact O-N 2.54Å; E141-C143 PolarHBondContact O-N 3.36Å; E141-C143 VanDerWaalsContact O-N 3.09Å; E141-H148 PolarHBondContact N-CE1 2.89Å; E141-C149 VanDerWaalsContact CD-CB 3.47Å; E141-C149 WeakPolarHBondContact OE1-CB 3.39Å; E141-C149 PolarHBondContact OE1-SG 2.88Å; E141-C149 WeakPolarHBondContact OE2-CA 3.31Å; E141-C149 VanDerWaalsContact OE2-CB 3.28Å; E141-C149 WeakPolarHBondContact OE2-CB 3.49Å; E141-C149 PolarHBondContact OE2-N 3.06Å; E141-N150 WeakPolarHBondContact OE2-CA 3.07Å; E141-N150 WeakPolarHBondContact OE2-CB 3.47Å; E141-N150 PolarHBondContact OE2-N 2.85Å; E141-N150 PolarHBondContact OE2-ND2 3.04Å
142R45.6Very low45.3Very low189 Ų18985.6 Ų85.671%0.71351%0.511SS*.  trans-85.786.3178.3-151.5131.5-169.9169.10.8111.5D139 A140D139-R142 IonicContact OD1-NH1 2.88Å; D139-R142 PolarHBondContact OD1-NH1 3.07Å; A140-R142 PolarHBondContact O-N 2.99Å
143C48.7Very low44.6Very low2 Ų281.8 Ų81.81%0.01449%0.492CS..  trans-72.9146.8153.3-720000109.4L46 C121 E141 N145 G146 L147 C149L46-C143 HydrophobicContact CD2-CB 4.09Å; L46-C143 VanDerWaalsContact CD2-SG 3.58Å; C121-C143 HydrophobicContact CB-CB 4.25Å; C121-C143 WeakPolarHBondContact CB-SG 3.17Å; C121-C143 VanDerWaalsContact SG-CA 3.57Å; C121-C143 WeakPolarHBondContact SG-CB 3.3Å; C121-C143 CovalentContact SG-SG 2.04Å; C121-C143 PolarHBondContact SG-SG 3.3Å; E141-C143 PolarHBondContact O-N 3.36Å; E141-C143 VanDerWaalsContact O-N 3.09Å; C143-N145 PolarHBondContact O-N 3.15Å; C143-G146 PolarHBondContact O-N 3.05Å; C143-L147 HydrophobicContact CB-CB 4.35Å; C143-L147 WeakPolarHBondContact CB-O 3.4Å; C143-L147 PolarHBondContact SG-O 3.36Å; C143-C149 PolarHBondContact SG-SG 2.87Å
144P48.8Very low44.1Very low79 Ų7987.8 Ų87.851%0.51350%0.498SS..THydrogen-bonded Turntrans-63.5-13.2-172.528.2-36.8000113.5E186P144-E186 HydrophobicContact CB-CG 4.23Å; P144-E186 WeakPolarHBondContact CB-OE1 3.45Å; P144-E186 VanDerWaalsContact O-OE1 3.07Å
145N49.9Very low43.7Very low57 Ų5783.9 Ų83.931%0.30549%0.489SS..THydrogen-bonded Turntrans-103.610.3179.3-72.4-82.7000115.3K48 C143 L147 E186K48-N145 WeakPolarHBondContact CE-OD1 3.23Å; K48-N145 PolarHBondContact NZ-ND2 3Å; K48-N145 PolarHBondContact NZ-OD1 2.77Å; C143-N145 PolarHBondContact O-N 3.15Å; N145-L147 HydrophobicContact CB-CD1 4.06Å; N145-L147 PolarHBondContact O-N 2.89Å; N145-L147 VanDerWaalsContact O-N 3.1Å; N145-E186 VanDerWaalsContact ND2-CD 3.31Å; N145-E186 PolarHBondContact ND2-OE1 3.05Å; N145-E186 PolarHBondContact ND2-OE2 3.44Å; N145-E186 PolarHBondContact OD1-OE1 3.13Å; N145-E186 PolarHBondContact OD1-OE2 3.1Å; N145-E186 VanDerWaalsContact OD1-OE2 3.09Å
146G47.7Very low43Very low68 Ų6881.2 Ų81.270%0.70148%0.479SS*.SBendtrans65.99.3-173.100000114.1C143 H148C143-G146 PolarHBondContact O-N 3.05Å; G146-H148 PolarHBondContact O-N 3.27Å
147L52.5Low42.6Very low27 Ų2782.4 Ų82.414%0.14148%0.475CS..  trans-70.1119.5167.8-95.966.4000108.4L46 C143 N145L46-L147 HydrophobicContact CD1-CD2 4.18Å; L46-L147 HydrophobicContact CD2-CB 3.58Å; L46-L147 HydrophobicContact CD2-CD2 3.34Å; L46-L147 HydrophobicContact CD2-CG 4.12Å; L46-L147 HydrophobicContact CG-CD2 3.79Å; C143-L147 HydrophobicContact CB-CB 4.35Å; C143-L147 WeakPolarHBondContact CB-O 3.4Å; C143-L147 PolarHBondContact SG-O 3.36Å; N145-L147 HydrophobicContact CB-CD1 4.06Å; N145-L147 PolarHBondContact O-N 2.89Å; N145-L147 VanDerWaalsContact O-N 3.1Å
148H52.9Low41.9Very low63 Ų6384.7 Ų84.729%0.29249%0.488SS..  trans-82.3122.2175.1-127.2-90000109.3A140 E141 G146 N150A140-H148 WeakPolarHBondContact CA-NE2 3.19Å; A140-H148 WeakPolarHBondContact CB-CE1 3.5Å; A140-H148 WeakPolarHBondContact CB-NE2 3.21Å; A140-H148 PolarHBondContact O-NE2 2.76Å; E141-H148 PolarHBondContact N-CE1 2.89Å; G146-H148 PolarHBondContact O-N 3.27Å; H148-N150 PolarHBondContact O-N 3.43Å
149C52.9Low41.6Very low40 Ų4081.8 Ų81.827%0.2747%0.474SS..THydrogen-bonded Turntrans-73.6-8.6174.5-330000112.4W123 E141 C143W123-C149 HydrophobicContact CE3-CB 4.31Å; W123-C149 HydrophobicContact CZ3-CB 4.05Å; E141-C149 VanDerWaalsContact CD-CB 3.47Å; E141-C149 WeakPolarHBondContact OE1-CB 3.39Å; E141-C149 PolarHBondContact OE1-SG 2.88Å; E141-C149 WeakPolarHBondContact OE2-CA 3.31Å; E141-C149 VanDerWaalsContact OE2-CB 3.28Å; E141-C149 WeakPolarHBondContact OE2-CB 3.49Å; E141-C149 PolarHBondContact OE2-N 3.06Å; C143-C149 PolarHBondContact SG-SG 2.87Å
150N46.2Very low41.2Very low79 Ų7981.5 Ų81.542%0.42248%0.484SS..THydrogen-bonded Turntrans-95.6-8.1-166.9-112.6-44.3000116.4W123 E141 H148W123-N150 VanDerWaalsContact CH2-CG 3.46Å; W123-N150 VanDerWaalsContact CH2-ND2 3.31Å; W123-N150 WeakPolarHBondContact CH2-ND2 2.96Å; W123-N150 WeakPolarHBondContact CH2-OD1 3.33Å; E141-N150 WeakPolarHBondContact OE2-CA 3.07Å; E141-N150 WeakPolarHBondContact OE2-CB 3.47Å; E141-N150 PolarHBondContact OE2-N 2.85Å; E141-N150 PolarHBondContact OE2-ND2 3.04Å; H148-N150 PolarHBondContact O-N 3.43Å
151D42.7Very low40.8Very low124 Ų12487.5 Ų87.566%0.66351%0.51SS*.  trans-122.219.8-163.2-88.2-38.5000117.4
152M44.1Very low40Very low89 Ų8990.1 Ų90.144%0.43854%0.543SS..  trans-111.180.1-178.6-60.4-84.3-175.600111.8C71 Y81C71-M152 VanDerWaalsContact SG-CE 3.6Å; Y81-M152 HydrophobicContact CD2-CB 3.7Å; Y81-M152 HydrophobicContact CE2-CB 3.45Å; Y81-M152 VanDerWaalsContact CE2-CB 3.45Å; Y81-M152 HydrophobicContact CE2-CG 4.18Å; Y81-M152 HydrophobicContact CG-CB 4.4Å
153N29.9Very low39.5Very low95 Ų9590.4 Ų90.451%0.50855%0.553SS.*  trans-88.792.5176-77.4-18.4000112.2R83R83-N153 PolarHBondContact NE-OD1 3.44Å; R83-N153 PolarHBondContact NH2-OD1 3.28Å
154F31.7Very low38.6Very low195 Ų19594.4 Ų94.486%0.85559%0.585SS**  trans-149.8124.1158.2-92-78.9000112.8
155A28.6Very low37.8Very low83 Ų8397.1 Ų97.169%0.68660%0.596SS**  trans53.785.2159.300000120.3
156T29.4Very low37.1Very low108 Ų108102.4 Ų102.466%0.66362%0.618SS**  trans-95.4130.4149.9-29.20000108.9T158T156-T158 PolarHBondContact O-N 3.48Å
157P33Very low36.3Very low87 Ų87104.9 Ų104.957%0.56563%0.625SS**  trans-73.4115.8165.624.8-21.1000108.6G159P157-G159 PolarHBondContact O-N 3.29Å
158T27.7Very low35.1Very low147 Ų147105.3 Ų105.390%0.90263%0.633SS**  trans-67.6110.6168.843.60000109.3T156T156-T158 PolarHBondContact O-N 3.48Å
159G32Very low34.1Very low45 Ų45106.9 Ų106.946%0.46466%0.656SS.*  trans-177117.3170.300000112.5W8 P157W8-G159 VanDerWaalsContact CZ3-O 3.3Å; W8-G159 WeakPolarHBondContact CZ3-O 3.45Å; P157-G159 PolarHBondContact O-N 3.29Å
160A34.5Very low33.3Very low78 Ų78108 Ų10865%0.64566%0.664SS**  trans7191.8154.300000119.1
161D32.1Very low32.6Very low163 Ų163111.8 Ų111.887%0.87268%0.68SS**  41.1119.1109.8-51.3-32.3000120.2
162G29.3Very low32.2Very low75 Ų75109.2 Ų109.277%0.77367%0.672SS**  94126.9127.200000119
163Q34.2Very low31.5Very low195 Ų195116.6 Ų116.691%0.91170%0.695SS**  trans87.9108.9155.8-136.781.8-37.900118.7
164A30.6Very low31.5Very low85 Ų85117.7 Ų117.770%0.70271%0.705SS**  trans-72.9147.8166.700000111.5
165D31.5Very low31.5Very low137 Ų137114.5 Ų114.573%0.73370%0.696SS**  trans-166.1123.3134.6-110.9-17.8000114.5
166Q34.9Very low31.6Very low167 Ų167114.5 Ų114.578%0.7870%0.696SS**  trans54.6123.3135.8-65.6177.183.800123.6
167S30.5Very low31.5Very low121 Ų121115.3 Ų115.385%0.84671%0.707SS**  trans84.495.5139.1-153.50000118.7
168A29.4Very low31.3Very low36 Ų36114.8 Ų114.830%0.29872%0.717SS.*  trans-149.5116.7156.500000110.1P12 L14P12-A168 HydrophobicContact CG-CB 4.11Å; L14-A168 HydrophobicContact CD2-CB 3.49Å; L14-A168 VanDerWaalsContact CD2-CB 3.49Å
169A30.9Very low31.3Very low95 Ų95116 Ų11679%0.78571%0.713SS**  trans-59127.6178.600000110.9
170P35.8Very low31Very low65 Ų65123.1 Ų123.142%0.42273%0.734SS.*  trans-87.7145.7177.935.2-34.4000111.6Q33 S172Q33-P170 HydrophobicContact CG-CG 4.45Å; P170-S172 PolarHBondContact O-N 2.78Å
171M32.8Very low30.9Very low157 Ų157124.9 Ų124.977%0.77373%0.732SS**  trans-71.7107.8163.3-74.8-174.5-79.100108.4
172S32.5Very low30.6Very low70 Ų70120.9 Ų120.949%0.4972%0.721SS.*  trans-107.4131.1-179.5-59.30000110.7Q33 P170Q33-S172 VanDerWaalsContact CD-OG 3.28Å; Q33-S172 PolarHBondContact NE2-OG 3.17Å; Q33-S172 PolarHBondContact OE1-OG 3.5Å; P170-S172 PolarHBondContact O-N 2.78Å
173R29.6Very low30.5Very low244 Ų244122.3 Ų122.392%0.92173%0.726SS**  trans-97124.6153.8-69.9-175.9100.4176.34.7106.9
174T30.4Very low30.5Very low118 Ų118119.7 Ų119.772%0.72472%0.723SS**  trans-72.3123.7176.7-10.50000109.1A176T174-A176 PolarHBondContact O-N 2.87Å
175L31.9Very low30.9Very low128 Ų128123.3 Ų123.367%0.6773%0.725SS**  trans-82.1101.7167.3-164.573000107S177 F189L175-S177 PolarHBondContact O-N 3.33Å; L175-F189 HydrophobicContact CD1-CD1 4.49Å; L175-F189 HydrophobicContact CD1-CE1 3.52Å; L175-F189 HydrophobicContact CD1-CZ 3.95Å; L175-F189 HydrophobicContact CD2-CZ 4.21Å
176A31.4Very low31.7Very low83 Ų83120.1 Ų120.169%0.68671%0.706SS**  trans-65.7120.7174.300000109.1T174 G178T174-A176 PolarHBondContact O-N 2.87Å; A176-G178 PolarHBondContact O-N 3.05Å
177S26.6Very low33Very low126 Ų126115.4 Ų115.488%0.88170%0.696SS**THydrogen-bonded Turntrans-62.5109.2166.957.10000108.8L175L175-S177 PolarHBondContact O-N 3.33Å
178G28.3Very low35.1Very low76 Ų76111 Ų11178%0.78466%0.664SS**THydrogen-bonded Turntrans158.2-9.7171.200000118.6A176 Q180A176-G178 PolarHBondContact O-N 3.05Å; G178-Q180 PolarHBondContact O-N 2.83Å
179E27.8Very low37.6Very low172 Ų172113.3 Ų113.380%0.80467%0.667SS**  trans-88.1108.3173.4-87.9174.5100.100110.7L181E179-L181 HydrophobicContact CB-CD1 3.98Å; E179-L181 PolarHBondContact O-N 2.93Å
180Q26.6Very low40.3Very low194 Ų194112.1 Ų112.191%0.90765%0.645SS**  trans-59.975164.2-171.7168.510.800108.6G178 A182G178-Q180 PolarHBondContact O-N 2.83Å; Q180-A182 PolarHBondContact O-N 3.33Å; Q180-A182 VanDerWaalsContact O-N 3.08Å
181L31.4Very low42.8Very low116 Ų116111.1 Ų111.161%0.60764%0.637SS**  trans-67110.3171.3-98.896.8000107.7E179 A183 E185E179-L181 HydrophobicContact CB-CD1 3.98Å; E179-L181 PolarHBondContact O-N 2.93Å; L181-A183 PolarHBondContact O-N 3.33Å; L181-E185 HydrophobicContact CD2-CB 4.42Å
182A26Very low45.5Very low79 Ų79105.9 Ų105.965%0.65362%0.616SS**  trans-43.8131.7170.200000110.2Q180 T184Q180-A182 PolarHBondContact O-N 3.33Å; Q180-A182 VanDerWaalsContact O-N 3.08Å; A182-T184 VanDerWaalsContact C-N 3.28Å; A182-T184 PolarHBondContact O-N 3.08Å
183A27.9Very low48.2Very low104 Ų104103.2 Ų103.286%0.8660%0.597SS**THydrogen-bonded Turntrans-60.481.5-178.100000111.9L181L181-A183 PolarHBondContact O-N 3.33Å
184T33.3Very low50.8Low141 Ų14192 Ų9287%0.86556%0.558SS**THydrogen-bonded Turntrans-166.4-8.5163.413.60000114.8A182A182-T184 VanDerWaalsContact C-N 3.28Å; A182-T184 PolarHBondContact O-N 3.08Å
185E39Very low53.4Low160 Ų16088.1 Ų88.175%0.74854%0.535SS*.SBendtrans-109.9113.1176.3-98-173.4136.200111.6L181 A187L181-E185 HydrophobicContact CD2-CB 4.42Å; E185-A187 PolarHBondContact O-N 3.03Å
186E49.6Very low56Low71 Ų7182 Ų8233%0.33250%0.503SS..  trans-55.5129.8173-66.2-176.3127.600111K48 P144 N145 T188K48-E186 IonicContact NZ-OE2 3.44Å; K48-E186 PolarHBondContact NZ-OE2 3.43Å; P144-E186 HydrophobicContact CB-CG 4.23Å; P144-E186 WeakPolarHBondContact CB-OE1 3.45Å; P144-E186 VanDerWaalsContact O-OE1 3.07Å; N145-E186 VanDerWaalsContact ND2-CD 3.31Å; N145-E186 PolarHBondContact ND2-OE1 3.05Å; N145-E186 PolarHBondContact ND2-OE2 3.44Å; N145-E186 PolarHBondContact OD1-OE1 3.13Å; N145-E186 PolarHBondContact OD1-OE2 3.1Å; N145-E186 VanDerWaalsContact OD1-OE2 3.09Å; E186-T188 HydrophobicContact CB-CG2 4.32Å; E186-T188 PolarHBondContact O-N 2.76Å
187A61.8Low58.6Low68 Ų6881.7 Ų81.756%0.56249%0.487SS*.  trans-67.181.1174.900000111.1E185 F189E185-A187 PolarHBondContact O-N 3.03Å; A187-F189 HydrophobicContact CB-CE2 4Å; A187-F189 HydrophobicContact CB-CZ 4.03Å
188T73.1Confident61.1Low28 Ų2876.5 Ų76.517%0.17245%0.45CS..EExtended strand (participates in β ladder)trans-103.9136.3171580000109.5K48 R117 V118 A119 E186K48-T188 HydrophobicContact CD-CG2 4.07Å; R117-T188 PolarHBondContact NE-OG1 3.28Å; R117-T188 PolarHBondContact NH2-OG1 3.23Å; V118-T188 WeakPolarHBondContact O-CA 3.17Å; A119-T188 HydrophobicContact CB-CG2 4.42Å; E186-T188 HydrophobicContact CB-CG2 4.32Å; E186-T188 PolarHBondContact O-N 2.76Å
189F82Confident63.4Low85 Ų8575.1 Ų75.137%0.37343%0.426SS..EExtended strand (participates in β ladder)trans-119.9141.3-177.6-55.5-82.6000109.7V118 L175 A187V118-F189 PolarHBondContact N-O 3.26Å; V118-F189 PolarHBondContact O-N 2.92Å; L175-F189 HydrophobicContact CD1-CD1 4.49Å; L175-F189 HydrophobicContact CD1-CE1 3.52Å; L175-F189 HydrophobicContact CD1-CZ 3.95Å; L175-F189 HydrophobicContact CD2-CZ 4.21Å; A187-F189 HydrophobicContact CB-CE2 4Å; A187-F189 HydrophobicContact CB-CZ 4.03Å
190F87.8Confident65.1Low70 Ų7072.6 Ų72.631%0.30742%0.417SS..EExtended strand (participates in β ladder)trans-93.5127.5170.7-75.3-83.4000110.1F51 P58 C116 R117F51-F190 HydrophobicContact CE1-CE1 4.17Å; F51-F190 HydrophobicContact CZ-CE1 4.07Å; P58-F190 HydrophobicContact CB-CD1 3.83Å; P58-F190 HydrophobicContact CB-CE1 4.25Å; P58-F190 HydrophobicContact CB-CG 4.21Å; P58-F190 HydrophobicContact CG-CB 4.3Å; P58-F190 HydrophobicContact CG-CD1 4.36Å; P58-F190 HydrophobicContact CG-CG 4.24Å; C116-F190 WeakPolarHBondContact O-CA 3.42Å; R117-F190 HydrophobicContact CB-CD1 4.02Å; R117-F190 HydrophobicContact CB-CE1 3.63Å; R117-F190 HydrophobicContact CB-CZ 4.09Å; R117-F190 HydrophobicContact CG-CD1 4.41Å; R117-F190 HydrophobicContact CG-CE1 3.96Å; R117-F190 HydrophobicContact CG-CE2 4.3Å; R117-F190 HydrophobicContact CG-CZ 3.91Å
191V89.1Confident66.5Low44 Ų4466.6 Ų66.627%0.26739%0.394SS..EExtended strand (participates in β ladder)trans-113.1138.7168.2-66.60000108.5M1 H115 C116 V118M1-V191 HydrophobicContact CB-CB 4.04Å; M1-V191 HydrophobicContact CB-CG2 3.9Å; M1-V191 HydrophobicContact CG-CG2 4.44Å; M1-V191 HydrophobicContact SD-CB 4.41Å; M1-V191 HydrophobicContact SD-CG2 3.92Å; H115-V191 CarbonylContact C-O 3.56Å; H115-V191 WeakPolarHBondContact CA-O 3.34Å; C116-V191 HydrophobicContact CB-CG2 3.88Å; C116-V191 PolarHBondContact N-O 2.85Å; C116-V191 WeakPolarHBondContact O-CG2 3.31Å; C116-V191 PolarHBondContact O-N 2.78Å; V118-V191 HydrophobicContact CG2-CG2 3.79Å
192S90.3Very high67.2Low46 Ų4669.8 Ų69.832%0.32241%0.405SS..EExtended strand (participates in β ladder)trans-130.5145.4-176-50.30000110.1L114 H115L114-S192 CarbonylContact O-C 3.51Å; L114-S192 VanDerWaalsContact O-CA 3.29Å; L114-S192 WeakPolarHBondContact O-CA 3.26Å; H115-S192 VanDerWaalsContact ND1-CB 3.32Å; H115-S192 WeakPolarHBondContact ND1-CB 3.48Å; H115-S192 PolarHBondContact ND1-OG 2.83Å
193S87.7Confident68.2Low14 Ų1472.4 Ų72.410%0.09840%0.404CS..PPolyproline II helixtrans-81.6169.517272.70000112.1L114L114-S193 WeakPolarHBondContact CB-OG 3.2Å; L114-S193 PolarHBondContact N-OG 3.47Å; L114-S193 PolarHBondContact O-N 3.3Å
194G83.8Confident68.4Low10 Ų1074.3 Ų74.310%0.10340%0.4CS..PPolyproline II helixtrans-68.3173.3160.100000112.5
195P86Confident68.7Low36 Ų3679 Ų7923%0.23440%0.402CS..PPolyproline II helixtrans-65.9130.6-176.923.1-31.9000112.6F16 P17 H18 F111 F113F16-P195 HydrophobicContact CB-CG 4.1Å; F16-P195 WeakPolarHBondContact CD1-O 3.22Å; P17-P195 WeakPolarHBondContact CA-O 3.3Å; P17-P195 HydrophobicContact CB-CB 4.24Å; P17-P195 HydrophobicContact CB-CG 4.05Å; H18-P195 PolarHBondContact N-O 2.77Å; H18-P195 VanDerWaalsContact N-O 3.13Å; F111-P195 HydrophobicContact CB-CB 4.23Å; F111-P195 HydrophobicContact CD1-CB 4.02Å; F111-P195 HydrophobicContact CG-CB 4.29Å; F113-P195 HydrophobicContact CD1-CB 4.4Å; F113-P195 HydrophobicContact CE1-CB 3.65Å; F113-P195 HydrophobicContact CE1-CG 4.25Å; F113-P195 HydrophobicContact CE2-CB 4.48Å; F113-P195 HydrophobicContact CZ-CB 3.71Å
196L85.8Confident68.4Low0 Ų077 Ų770%041%0.406CS..EExtended strand (participates in β ladder)trans-101.8128.2171.5-54.3-179.5000108.3I3 W13 F16 H18 L20 I26 F52 F111 M112 P198I3-L196 HydrophobicContact CD1-CD1 4.4Å; I3-L196 HydrophobicContact CD1-CD2 4.23Å; W13-L196 HydrophobicContact CE3-CD2 4.04Å; W13-L196 HydrophobicContact CZ3-CD2 3.57Å; F16-L196 HydrophobicContact CD1-CD2 4.41Å; F16-L196 HydrophobicContact CE1-CD2 3.99Å; H18-L196 HydrophobicContact CB-CD2 4.17Å; L20-L196 HydrophobicContact CD2-CD1 4.3Å; I26-L196 HydrophobicContact CD1-CD1 4.48Å; F52-L196 HydrophobicContact CE1-CD1 3.91Å; F111-L196 CarbonylContact C-O 3.58Å; F111-L196 WeakPolarHBondContact CA-O 3.28Å; M112-L196 HydrophobicContact CB-CB 4.27Å; M112-L196 PolarHBondContact N-O 2.71Å; M112-L196 WeakPolarHBondContact O-CB 3.32Å; M112-L196 PolarHBondContact O-N 2.74Å; L196-P198 WeakPolarHBondContact O-CD 3.37Å
197H85.7Confident67.7Low75 Ų7577.6 Ų77.635%0.34742%0.423SS..EExtended strand (participates in β ladder)trans-103.8106.3178.8-166.489.9000109.2P17 H18 A19 L20 F111 V199P17-H197 HydrophobicContact CB-CB 4.43Å; H18-H197 PolarHBondContact O-N 2.05Å; A19-H197 CarbonylContact C-O 3.53Å; A19-H197 WeakPolarHBondContact CA-O 3.42Å; L20-H197 PolarHBondContact N-O 2.72Å; F111-H197 HydrophobicContact CD1-CB 3.9Å; F111-H197 AromaticContact CD1-ND1 3.49Å; F111-H197 WeakPolarHBondContact CD1-ND1 3.45Å; F111-H197 HydrophobicContact CE1-CB 3.83Å; F111-H197 AromaticContact CE1-CG 3.8Å; F111-H197 AromaticContact CE1-ND1 3.06Å; F111-H197 WeakPolarHBondContact CE1-ND1 3.48Å; F111-H197 AromaticContact CZ-ND1 3.59Å; H197-V199 PolarHBondContact O-N 3.09Å
198P79.3Confident66.4Low17 Ų1778.5 Ų78.511%0.1143%0.43CS..EExtended strand (participates in β ladder)trans-63.1123.8173.921.2-27.7000110.6L20 F105 S110 M112 L196L20-P198 CarbonylContact O-C 3.56Å; L20-P198 WeakPolarHBondContact O-CA 3.39Å; F105-P198 HydrophobicContact CD1-CB 3.24Å; F105-P198 HydrophobicContact CD1-CG 4.22Å; F105-P198 HydrophobicContact CE1-CB 3.34Å; F105-P198 HydrophobicContact CG-CB 4.37Å; S110-P198 VanDerWaalsContact O-CD 3.27Å; S110-P198 WeakPolarHBondContact O-CD 3.49Å; S110-P198 WeakPolarHBondContact O-CG 3.38Å; M112-P198 HydrophobicContact CG-CG 4.18Å; M112-P198 HydrophobicContact SD-CB 4.2Å; M112-P198 HydrophobicContact SD-CG 3.97Å; L196-P198 WeakPolarHBondContact O-CD 3.37Å
199V76.8Confident64.5Low47 Ų4783.9 Ų83.929%0.28546%0.464SS..EExtended strand (participates in β ladder)trans-116.9127.4177.6179.60000109.8A19 L20 H197 V201A19-V199 HydrophobicContact CB-CG2 3.81Å; L20-V199 PolarHBondContact O-N 3.38Å; H197-V199 PolarHBondContact O-N 3.09Å; V199-V201 HydrophobicContact CG1-CG2 4.09Å
200I63.5Low62.1Low119 Ų11982.9 Ų82.961%0.6148%0.477SS*.  trans-80113.7161.7-56.8169.8000106.3F105 E202F105-I200 HydrophobicContact CD2-CG1 4.46Å; F105-I200 HydrophobicContact CE2-CD1 3.66Å; F105-I200 HydrophobicContact CE2-CG1 3.22Å; F105-I200 HydrophobicContact CZ-CB 4.35Å; F105-I200 HydrophobicContact CZ-CD1 4.2Å; F105-I200 HydrophobicContact CZ-CG1 3.26Å; I200-E202 HydrophobicContact CG2-CG 4.43Å; I200-E202 PolarHBondContact O-N 2.84Å
201V56Low59.6Low69 Ų6985.7 Ų85.742%0.41850%0.5SS..  trans-89.3102.7167-178.80000106.3R21 V199 E203R21-V201 HydrophobicContact CG-CG2 4.05Å; V199-V201 HydrophobicContact CG1-CG2 4.09Å; V201-E203 PolarHBondContact O-N 2.74Å
202E47.5Very low56.9Low182 Ų18291.6 Ų91.685%0.8553%0.525SS*.  trans-66.297.7164.1-71.9-170.2166.100108.1I200 N204I200-E202 HydrophobicContact CG2-CG 4.43Å; I200-E202 PolarHBondContact O-N 2.84Å; E202-N204 PolarHBondContact O-N 3Å; E202-N204 VanDerWaalsContact O-N 3.11Å
203E45.4Very low54.1Low135 Ų13598.6 Ų98.663%0.63155%0.546SS*.  trans-83.685.2177.3-162.3166.7174.100110.4V201V201-E203 PolarHBondContact O-N 2.74Å
204N33.3Very low51.3Low144 Ų144105.7 Ų105.777%0.7758%0.577SS**  trans45.594.2148-148.923.3000119.2E202E202-N204 PolarHBondContact O-N 3Å; E202-N204 VanDerWaalsContact O-N 3.11Å
205R38.5Very low49Very low238 Ų238113.6 Ų113.690%0.89861%0.611SS**  trans-153.6107.4146.7-138.1176.5-175.3124.6-2.1112.3A207R205-A207 PolarHBondContact O-N 2.79Å
206S33.1Very low46.6Very low119 Ų119116.9 Ų116.983%0.83263%0.63SS**  trans-52.5103.4158-490000109.6
207A35Very low43.9Very low83 Ų83126.7 Ų126.769%0.68667%0.673SS**  trans-173.5112.2156.700000110.2R205R205-A207 PolarHBondContact O-N 2.79Å
208A34.7Very low41.4Very low88 Ų88130.6 Ų130.673%0.72770%0.697SS**  trans57.6107.6137.200000119.7
209T32.9Very low39.2Very low141 Ų141133.7 Ų133.787%0.86572%0.724SS**  62.9103.3120.8-28.20000118.2
210G32.4Very low37.4Very low64 Ų64139.7 Ų139.766%0.6675%0.754SS**  trans73.5110.8137.300000117.4
211T35.8Very low35.9Very low128 Ų128137.6 Ų137.679%0.78576%0.762SS**  176.1124.3103.631.80000110
212E31.6Very low35Very low168 Ų168143.1 Ų143.179%0.78578%0.783SS**  trans-43.5125.5159.9174.7-175.7130.100112.9
213Y30.6Very low34.6Very low194 Ų194140 Ų14076%0.76178%0.779SS**  trans-145.9108.4153.2-77.7-74.7000110.5
214E29Very low34.3Very low162 Ų162138.2 Ų138.276%0.75779%0.787SS**  trans-57.8138.5157.1-69.2177.693.600110.1
215H37.3Very low34.8Very low176 Ų176138.8 Ų138.882%0.81579%0.79SS**  trans-12593.3156.1-84.8-74.7000110
216V33.6Very low35.1Very low106 Ų106132.6 Ų132.664%0.64278%0.78SS**  trans-7.4128.6149.1-177.30000115.9
217F29.2Very low35.7Very low205 Ų205131.8 Ų131.890%0.89977%0.772SS**  trans-68.9117.7161.1-74.2-99.4000109.5
218D34.6Very low35.8Very low157 Ų157139.2 Ų139.284%0.8478%0.782SS**  trans-98.7102.8157.4-76.3-50.2000108.4
219A32.1Very low36Very low83 Ų83139.6 Ų139.669%0.68678%0.778SS**  trans-86.2111.2163.100000107
220D38.6Very low36.8Very low173 Ų173141 Ų14193%0.92578%0.775SS**  trans-175.7134153.3-87.4-37.4000109.9
221G34Very low37.4Very low75 Ų75143.6 Ų143.677%0.77378%0.78SS**  trans103.693.6150.700000119.7
222E35.6Very low37.9Very low185 Ų185143.4 Ų143.486%0.86478%0.783SS**  trans82.7124.6139.9-139.2177.212500120.5A224E222-A224 PolarHBondContact O-N 2.96Å; E222-A224 VanDerWaalsContact O-N 3.16Å
223P39.6Very low38.2Very low115 Ų115139 Ų13975%0.74778%0.782SS**  trans-76.8102.7174.231.4-30.7000110.1L225P223-L225 PolarHBondContact O-N 3.25Å
224A39.7Very low38.6Very low98 Ų98137.5 Ų137.581%0.8179%0.787SS**PPolyproline II helixtrans-59124.417000000110.6E222E222-A224 PolarHBondContact O-N 2.96Å; E222-A224 VanDerWaalsContact O-N 3.16Å
225L42.8Very low39.1Very low157 Ų157137 Ų13782%0.82279%0.79SS**PPolyproline II helixtrans-53.7147.3175.1-87.784.3000111.4P223P223-L225 PolarHBondContact O-N 3.25Å
226P45.4Very low39.2Very low108 Ų108135.7 Ų135.770%0.70179%0.788SS**PPolyproline II helixtrans-61.5135.6176.825.8-33.2000110.7R228P226-R228 PolarHBondContact O-N 2.87Å
227P45.2Very low39.6Very low102 Ų102135.4 Ų135.466%0.66279%0.791SS**PPolyproline II helixtrans-64.5124.417825.5-32.4000110.2
228R36.2Very low40.2Very low238 Ų238135.1 Ų135.190%0.89879%0.793SS**PPolyproline II helixtrans-73.6125.2166.2-79.1-176170.1-177.4-2.7108.5P226 Q230P226-R228 PolarHBondContact O-N 2.87Å; R228-Q230 PolarHBondContact O-N 3.44Å
229C39.6Very low40.5Very low96 Ų96133 Ų13365%0.64979%0.786SS**PPolyproline II helixtrans-63.7117.8170.9-61.20000109.4
230Q49.1Very low40.7Very low170 Ų170138.7 Ų138.779%0.79480%0.797SS**PPolyproline II helixtrans-103.7126.3167.7-166.7126.4-31.800107.7R228 C232R228-Q230 PolarHBondContact O-N 3.44Å; Q230-C232 PolarHBondContact O-N 2.79Å
231P45.3Very low40.5Very low119 Ų119135.4 Ų135.477%0.77379%0.788SS**PPolyproline II helixtrans-62.9132.1176.823.8-32000110.1G233P231-G233 PolarHBondContact O-N 3.19Å
232C46.4Very low40.5Very low125 Ų125140.9 Ų140.985%0.84579%0.791SS**  trans-65.6115.5173-59.20000108.7Q230 L234Q230-C232 PolarHBondContact O-N 2.79Å; C232-L234 PolarHBondContact O-N 3.2Å
233G39.4Very low40.8Very low74 Ų74140.2 Ų140.276%0.76379%0.791SS**  trans-60.4120.7171.800000110.1P231 D235P231-G233 PolarHBondContact O-N 3.19Å; G233-D235 VanDerWaalsContact C-N 3.27Å; G233-D235 PolarHBondContact O-N 3.41Å
234L37.9Very low40.7Very low163 Ų163141.4 Ų141.485%0.85380%0.796SS**  trans-63.992161.3-85.6144.3000107.2C232C232-L234 PolarHBondContact O-N 3.2Å
235D39.9Very low40.6Very low153 Ų153140 Ų14082%0.81879%0.79SS**  trans-122121.2159.6-135.1-13.1000109.3G233 S237G233-D235 VanDerWaalsContact C-N 3.27Å; G233-D235 PolarHBondContact O-N 3.41Å; D235-S237 PolarHBondContact O-N 2.99Å
236N39.9Very low40.2Very low148 Ų148137.7 Ų137.779%0.79179%0.788SS**  trans-76.293.9-172.9-58.6-40.6000107.7
237S40.9Very low40.2Very low100 Ų100140.1 Ų140.170%0.69979%0.794SS**  trans-147.5109.2167.3-150.90000111.8D235 T239D235-S237 PolarHBondContact O-N 2.99Å; S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 3.06Å
238E42.6Very low40.1Very low199 Ų199141.1 Ų141.193%0.9380%0.8SS**  trans-54.393.2162.2-66.7175.398.200109.6
239T41Very low40.2Very low113 Ų113135.1 Ų135.169%0.69380%0.795SS**  trans-153.468157.7-14.30000109.9S237 S241S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 3.06Å; T239-S241 VanDerWaalsContact C-N 3.29Å; T239-S241 PolarHBondContact O-N 2.9Å
240H36.7Very low40.2Very low202 Ų202138.9 Ų138.994%0.93580%0.803SS**  trans-77.377.3175-147.5-112.9000109.7
241S34.6Very low39.7Very low104 Ų104141.1 Ų141.173%0.72780%0.804SS**  trans-172.5146.7154.160.70000111T239T239-S241 VanDerWaalsContact C-N 3.29Å; T239-S241 PolarHBondContact O-N 2.9Å
242K32.7Very low39.5Very low190 Ų190142.4 Ų142.483%0.82680%0.803SS**  trans92.878.9163.5-155.5-175.1-162.9-179.40116.1
243I41.5Very low39.2Very low170 Ų170141.7 Ų141.787%0.87280%0.795SS**  -137.198.3120.3-58-172.9000107.7G245I243-G245 PolarHBondContact O-N 2.84Å
244V37.7Very low39.2Very low141 Ų141143 Ų14386%0.85578%0.784SS**  trans-73.3106.4163.6171.40000106.1
245G37Very low39.9Very low67 Ų67141.1 Ų141.169%0.69178%0.779SS**  trans-118.4104.2168.500000108.1I243I243-G245 PolarHBondContact O-N 2.84Å
246S35.4Very low40.6Very low109 Ų109143.3 Ų143.376%0.76278%0.776SS**  trans-57.6120.7-179.348.70000113.6
247L45.5Very low41.8Very low159 Ų159138.3 Ų138.383%0.83276%0.759SS**  trans-146.3141.7151.3-123.578.8000107.3S249L247-S249 PolarHBondContact O-N 2.93Å
248P42Very low43.2Very low123 Ų123138 Ų13880%0.79975%0.749SS**  trans-68.3119-16327.7-31.2000110.7E250P248-E250 VanDerWaalsContact C-N 3.3Å; P248-E250 PolarHBondContact O-N 3.04Å
249S39.2Very low44.9Very low112 Ų112130.6 Ų130.678%0.78373%0.725SS**  trans-63.487.5170.2-69.50000110.4L247 R251L247-S249 PolarHBondContact O-N 2.93Å; S249-R251 PolarHBondContact O-N 3.21Å; S249-R251 VanDerWaalsContact O-N 3.08Å
250E40.8Very low46.8Very low175 Ų175131.1 Ų131.182%0.81873%0.729SS**  trans-66.3103.1153-167.2173.8143.700106.9P248 I252P248-E250 VanDerWaalsContact C-N 3.3Å; P248-E250 PolarHBondContact O-N 3.04Å; E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 2.84Å
251R38.3Very low48.9Very low218 Ų218124 Ų12482%0.82371%0.71SS**  trans-68.789-179.6-75.3-162.3-79.2-134.6-2.5109.5S249 T253S249-R251 PolarHBondContact O-N 3.21Å; S249-R251 VanDerWaalsContact O-N 3.08Å; R251-T253 PolarHBondContact O-N 2.88Å
252I40.7Very low51.3Low145 Ų145121.7 Ų121.774%0.74469%0.694SS**  trans-71.490.6158-55.7178.9000106.5E250 L254E250-I252 VanDerWaalsContact C-N 3.31Å; E250-I252 PolarHBondContact O-N 2.84Å; I252-L254 PolarHBondContact O-N 2.87Å
253T39.3Very low53.9Low111 Ų111116.3 Ų116.368%0.68168%0.677SS**  trans-69.285.5167.848.90000108R251 V255R251-T253 PolarHBondContact O-N 2.88Å; T253-V255 PolarHBondContact O-N 2.85Å
254L40.5Very low56.3Low101 Ų101112.8 Ų112.853%0.52966%0.663SS.*  trans-69.596.4170.1-168.1143.3000107.5I22 I252 R256I22-L254 HydrophobicContact CG2-CD1 4.49Å; I252-L254 PolarHBondContact O-N 2.87Å; L254-R256 PolarHBondContact O-N 3.29Å
255V52.3Low58.8Low124 Ų124108.6 Ų108.675%0.75264%0.643SS**  trans-67.499.9172-177.80000106.3T253 G257T253-V255 PolarHBondContact O-N 2.85Å; V255-G257 PolarHBondContact O-N 3.43Å
256R55.1Low61.4Low199 Ų199110.3 Ų110.375%0.75164%0.635SS**  trans-64.5104.9176.2-155.3175.5-163.2141.97.5106.9L254L254-R256 PolarHBondContact O-N 3.29Å
257G64.7Low64.3Low42 Ų42108.3 Ų108.343%0.43362%0.622SS.*PPolyproline II helixtrans-49.9141.6178.900000110.9V255 G259V255-G257 PolarHBondContact O-N 3.43Å; G257-G259 PolarHBondContact O-N 2.92Å
258L68.8Low66.6Low95 Ų95103.5 Ų103.550%0.49760%0.601SS.*PPolyproline II helixtrans-66.7124.9-179.4-148.479000108.3S262 V263 I266L258-S262 VanDerWaalsContact CD2-CB 3.42Å; L258-S262 VanDerWaalsContact CG-CB 3.43Å; L258-V263 HydrophobicContact CB-CG2 4.46Å; L258-I266 HydrophobicContact CD2-CD1 3.26Å; L258-I266 HydrophobicContact CD2-CG1 4.45Å
259G79.5Confident69.2Low42 Ų42100.1 Ų100.143%0.43358%0.583SS.*PPolyproline II helixtrans-53.8152-175.400000112.1G257 G261 S262 V263G257-G259 PolarHBondContact O-N 2.92Å; G259-G261 PolarHBondContact O-N 3.34Å; G259-G261 VanDerWaalsContact O-N 3.11Å; G259-S262 WeakPolarHBondContact O-CA 3.49Å; G259-S262 WeakPolarHBondContact O-CB 3.5Å; G259-S262 PolarHBondContact O-N 2.76Å; G259-V263 PolarHBondContact O-N 3.09Å
260T81.6Confident72Confident125 Ų12597.8 Ų97.877%0.76757%0.571SS**Hα-helixtrans-52-38.8-178.948.70000112.5S262 V263 V264T260-S262 VanDerWaalsContact C-N 3.34Å; T260-S262 PolarHBondContact O-N 3.26Å; T260-V263 PolarHBondContact O-N 3.35Å; T260-V264 WeakPolarHBondContact O-CG2 2.99Å; T260-V264 PolarHBondContact O-N 3.31Å
261G80.2Confident74.7Confident52 Ų5295.7 Ų95.754%0.53656%0.559SS.*Hα-helixtrans-61.1-39.2174.500000113.6G259 V264 A265G259-G261 PolarHBondContact O-N 3.34Å; G259-G261 VanDerWaalsContact O-N 3.11Å; G261-V264 PolarHBondContact O-N 3.11Å; G261-A265 WeakPolarHBondContact O-CB 3.15Å; G261-A265 PolarHBondContact O-N 2.88Å
262S85.5Confident77.5Confident55 Ų5590 Ų9039%0.38555%0.545SS..Hα-helixtrans-69.9-38.1176.2-53.90000112.1L258 G259 T260 A265 I266L258-S262 VanDerWaalsContact CD2-CB 3.42Å; L258-S262 VanDerWaalsContact CG-CB 3.43Å; G259-S262 WeakPolarHBondContact O-CA 3.49Å; G259-S262 WeakPolarHBondContact O-CB 3.5Å; G259-S262 PolarHBondContact O-N 2.76Å; T260-S262 VanDerWaalsContact C-N 3.34Å; T260-S262 PolarHBondContact O-N 3.26Å; S262-A265 PolarHBondContact O-N 2.72Å; S262-I266 WeakPolarHBondContact O-CG1 3.37Å; S262-I266 PolarHBondContact O-N 3.18Å
263V87.3Confident80.1Confident78 Ų7887 Ų8747%0.47353%0.533SS..Hα-helixtrans-61.8-45.3175.2177.70000110.7L258 G259 T260 A265 I266 S267L258-V263 HydrophobicContact CB-CG2 4.46Å; G259-V263 PolarHBondContact O-N 3.09Å; T260-V263 PolarHBondContact O-N 3.35Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 3.01Å; V263-I266 PolarHBondContact O-N 2.99Å; V263-S267 WeakPolarHBondContact O-CB 3.38Å; V263-S267 PolarHBondContact O-N 2.93Å; V263-S267 PolarHBondContact O-OG 3.23Å
264V90.9Very high82.9Confident95 Ų9583.1 Ų83.158%0.57652%0.515SS*.Hα-helixtrans-60.6-44.7176.1174.30000110.7T260 G261 I266 S267 S268T260-V264 WeakPolarHBondContact O-CG2 2.99Å; T260-V264 PolarHBondContact O-N 3.31Å; G261-V264 PolarHBondContact O-N 3.11Å; V264-I266 PolarHBondContact O-N 3.19Å; V264-S267 WeakPolarHBondContact CA-OG 3.17Å; V264-S267 PolarHBondContact O-N 2.77Å; V264-S267 PolarHBondContact O-OG 2.93Å; V264-S268 PolarHBondContact O-N 2.98Å; V264-S268 PolarHBondContact O-OG 2.95Å
265A89Confident85.6Confident54 Ų5483.4 Ų83.445%0.44651%0.514SS..Hα-helixtrans-62.4-41.5178.100000113.3G261 S262 V263 S268 A269G261-A265 WeakPolarHBondContact O-CB 3.15Å; G261-A265 PolarHBondContact O-N 2.88Å; S262-A265 PolarHBondContact O-N 2.72Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 3.01Å; A265-S268 PolarHBondContact O-OG 3.23Å; A265-A269 WeakPolarHBondContact O-CB 3.18Å; A265-A269 PolarHBondContact O-N 2.59Å; A265-A269 VanDerWaalsContact O-N 3.09Å
266I93Very high87.7Confident102 Ų10283.5 Ų83.552%0.52351%0.51SS..Hα-helixtrans-67.8-42.2176.5-67.7172.7000110.5L258 S262 V263 V264 S268 A269 A270L258-I266 HydrophobicContact CD2-CD1 3.26Å; L258-I266 HydrophobicContact CD2-CG1 4.45Å; S262-I266 WeakPolarHBondContact O-CG1 3.37Å; S262-I266 PolarHBondContact O-N 3.18Å; V263-I266 PolarHBondContact O-N 2.99Å; V264-I266 PolarHBondContact O-N 3.19Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 2.73Å; I266-A269 PolarHBondContact O-N 2.77Å; I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.26Å
267S95Very high89.7Confident68 Ų6879.8 Ų79.848%0.47651%0.505SS..Hα-helixtrans-62.6-39.9179.772.90000112.4V263 V264 F271V263-S267 WeakPolarHBondContact O-CB 3.38Å; V263-S267 PolarHBondContact O-N 2.93Å; V263-S267 PolarHBondContact O-OG 3.23Å; V264-S267 WeakPolarHBondContact CA-OG 3.17Å; V264-S267 PolarHBondContact O-N 2.77Å; V264-S267 PolarHBondContact O-OG 2.93Å; S267-F271 PolarHBondContact O-N 3.43Å; S267-F271 VanDerWaalsContact O-N 3.09Å
268S95.3Very high91.2Very high58 Ų5882.3 Ų82.341%0.40651%0.511SS..Hα-helixtrans-70-41.4177.563.90000111.6V264 A265 I266 F271 I272V264-S268 PolarHBondContact O-N 2.98Å; V264-S268 PolarHBondContact O-OG 2.95Å; A265-S268 PolarHBondContact O-OG 3.23Å; I266-S268 VanDerWaalsContact C-N 3.33Å; I266-S268 PolarHBondContact O-N 2.73Å; S268-F271 PolarHBondContact O-N 2.89Å; S268-I272 VanDerWaalsContact O-CG1 3.32Å; S268-I272 WeakPolarHBondContact O-CG1 3.3Å; S268-I272 PolarHBondContact O-N 3.38Å
269A96.3Very high92.5Very high51 Ų5179.7 Ų79.742%0.42151%0.507SS..Hα-helixtrans-61.5-45.2175.500000111.9A265 I266 F271 I272 V273A265-A269 WeakPolarHBondContact O-CB 3.18Å; A265-A269 PolarHBondContact O-N 2.59Å; A265-A269 VanDerWaalsContact O-N 3.09Å; I266-A269 PolarHBondContact O-N 2.77Å; A269-F271 VanDerWaalsContact C-N 3.32Å; A269-F271 PolarHBondContact O-N 3.02Å; A269-I272 PolarHBondContact O-N 2.77Å; A269-V273 WeakPolarHBondContact O-CG2 3.01Å; A269-V273 PolarHBondContact O-N 2.9Å
270A97Very high93.3Very high63 Ų6379.2 Ų79.252%0.52150%0.502SS..Hα-helixtrans-61.8-39.7177.600000112.2I266 V273 G274I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.26Å; A270-V273 PolarHBondContact O-N 2.83Å; A270-G274 PolarHBondContact O-N 3.1Å
271F97.4Very high93.8Very high132 Ų13279.9 Ų79.958%0.57950%0.498SS*.Hα-helixtrans-64.2-43.8176.2-175.8-97000112.3S267 S268 A269 V273 G274 M275S267-F271 PolarHBondContact O-N 3.43Å; S267-F271 VanDerWaalsContact O-N 3.09Å; S268-F271 PolarHBondContact O-N 2.89Å; A269-F271 VanDerWaalsContact C-N 3.32Å; A269-F271 PolarHBondContact O-N 3.02Å; F271-V273 VanDerWaalsContact C-N 3.34Å; F271-V273 PolarHBondContact O-N 2.87Å; F271-G274 PolarHBondContact O-N 3.06Å; F271-M275 HydrophobicContact CD1-CG 4.21Å; F271-M275 HydrophobicContact CD2-CE 4.46Å; F271-M275 HydrophobicContact CE1-CE 4.32Å; F271-M275 HydrophobicContact CE1-CG 3.82Å; F271-M275 HydrophobicContact CE2-CE 3.69Å; F271-M275 HydrophobicContact CZ-CE 3.61Å; F271-M275 HydrophobicContact CZ-CG 4.09Å; F271-M275 HydrophobicContact CZ-SD 4.31Å; F271-M275 WeakPolarHBondContact O-CG 3.33Å; F271-M275 PolarHBondContact O-N 3.43Å
272I97.5Very high94.5Very high99 Ų9985.4 Ų85.451%0.50850%0.503SS..Hα-helixtrans-61.4-44.4177.3-66.9165.3000110.6S268 A269 G274 M275 L276S268-I272 VanDerWaalsContact O-CG1 3.32Å; S268-I272 WeakPolarHBondContact O-CG1 3.3Å; S268-I272 PolarHBondContact O-N 3.38Å; A269-I272 PolarHBondContact O-N 2.77Å; I272-G274 VanDerWaalsContact C-N 3.33Å; I272-G274 PolarHBondContact O-N 2.92Å; I272-M275 PolarHBondContact O-N 3.25Å; I272-L276 HydrophobicContact CG2-CD1 4.21Å; I272-L276 WeakPolarHBondContact O-CG 3.39Å; I272-L276 PolarHBondContact O-N 3.47Å
273V96.7Very high94.9Very high82 Ų8290.6 Ų90.650%0.49752%0.515SS..Hα-helixtrans-61.5-42.5175.6174.50000111A269 A270 F271 M275 L276 L277A269-V273 WeakPolarHBondContact O-CG2 3.01Å; A269-V273 PolarHBondContact O-N 2.9Å; A270-V273 PolarHBondContact O-N 2.83Å; F271-V273 VanDerWaalsContact C-N 3.34Å; F271-V273 PolarHBondContact O-N 2.87Å; V273-M275 PolarHBondContact O-N 3.34Å; V273-L276 PolarHBondContact O-N 3.29Å; V273-L277 HydrophobicContact CG1-CD1 4.12Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 WeakPolarHBondContact O-CG 3.01Å; V273-L277 PolarHBondContact O-N 3.3Å
274G97.7Very high95.1Very high29 Ų2991.9 Ų91.930%0.29952%0.519SS..Hα-helixtrans-57.9-46175.400000112.9A270 F271 I272 L277 V278A270-G274 PolarHBondContact O-N 3.1Å; F271-G274 PolarHBondContact O-N 3.06Å; I272-G274 VanDerWaalsContact C-N 3.33Å; I272-G274 PolarHBondContact O-N 2.92Å; G274-L277 PolarHBondContact O-N 3.31Å; G274-V278 WeakPolarHBondContact O-CG2 3.1Å; G274-V278 PolarHBondContact O-N 2.61Å
275M96.9Very high95Very high106 Ų10693.5 Ų93.552%0.52252%0.515SS..Hα-helixtrans-64.1-40.7177.6-69.9-64.7133.800112.5F271 I272 V273 G279F271-M275 HydrophobicContact CD1-CG 4.21Å; F271-M275 HydrophobicContact CD2-CE 4.46Å; F271-M275 HydrophobicContact CE1-CE 4.32Å; F271-M275 HydrophobicContact CE1-CG 3.82Å; F271-M275 HydrophobicContact CE2-CE 3.69Å; F271-M275 HydrophobicContact CZ-CE 3.61Å; F271-M275 HydrophobicContact CZ-CG 4.09Å; F271-M275 HydrophobicContact CZ-SD 4.31Å; F271-M275 WeakPolarHBondContact O-CG 3.33Å; F271-M275 PolarHBondContact O-N 3.43Å; I272-M275 PolarHBondContact O-N 3.25Å; V273-M275 PolarHBondContact O-N 3.34Å; M275-G279 PolarHBondContact O-N 3.24Å
276L96.6Very high95Very high127 Ų12794.7 Ų94.767%0.66551%0.512SS*.Hα-helixtrans-65.2-38.3176.4-71.1173.9000112.3I272 V273 G280I272-L276 HydrophobicContact CG2-CD1 4.21Å; I272-L276 WeakPolarHBondContact O-CG 3.39Å; I272-L276 PolarHBondContact O-N 3.47Å; V273-L276 PolarHBondContact O-N 3.29Å; L276-G280 PolarHBondContact O-N 3.08Å
277L96.5Very high94.7Very high121 Ų12192.8 Ų92.863%0.63450%0.504SS*.Hα-helixtrans-69.4-44.1177.5-70.7177.1000112.2V273 G274 G279 G280 M281V273-L277 HydrophobicContact CG1-CD1 4.12Å; V273-L277 HydrophobicContact CG1-CG 4.39Å; V273-L277 WeakPolarHBondContact O-CG 3.01Å; V273-L277 PolarHBondContact O-N 3.3Å; G274-L277 PolarHBondContact O-N 3.31Å; L277-G279 VanDerWaalsContact C-N 3.35Å; L277-G280 PolarHBondContact O-N 2.78Å; L277-M281 WeakPolarHBondContact O-CB 3.35Å; L277-M281 PolarHBondContact O-N 3.17Å
278V96.3Very high94.2Very high95 Ų9591.8 Ų91.858%0.57650%0.495SS*.Hα-helixtrans-62.6-44.6176173.90000110.4G274 M281 W282G274-V278 WeakPolarHBondContact O-CG2 3.1Å; G274-V278 PolarHBondContact O-N 2.61Å; V278-M281 PolarHBondContact O-N 3.38Å; V278-W282 WeakPolarHBondContact O-CB 2.99Å; V278-W282 PolarHBondContact O-N 2.99Å
279G96.2Very high93.5Very high40 Ų4094 Ų9441%0.41250%0.498SS..Hα-helixtrans-62-43.4175.100000113M275 L277 W282 Y283M275-G279 PolarHBondContact O-N 3.24Å; L277-G279 VanDerWaalsContact C-N 3.35Å; G279-W282 PolarHBondContact O-N 2.51Å; G279-Y283 WeakPolarHBondContact O-CB 3.04Å; G279-Y283 PolarHBondContact O-N 3.35Å
280G96.1Very high92.3Very high32 Ų3294.4 Ų94.433%0.3350%0.501SS..Hα-helixtrans-64.1-41.4176.700000112.9L276 L277 Y283 I284L276-G280 PolarHBondContact O-N 3.08Å; L277-G280 PolarHBondContact O-N 2.78Å; G280-Y283 PolarHBondContact O-N 3.45Å; G280-I284 WeakPolarHBondContact O-CG1 3.28Å; G280-I284 PolarHBondContact O-N 2.04Å; G280-I284 VanDerWaalsContact O-N 3.1Å
281M92.5Very high91Very high138 Ų13896.9 Ų96.968%0.6850%0.502SS*.Hα-helixtrans-65.6-43.1175.4-164.7-165.280.500111.4L277 V278 Y283 I284 Y285L277-M281 WeakPolarHBondContact O-CB 3.35Å; L277-M281 PolarHBondContact O-N 3.17Å; V278-M281 PolarHBondContact O-N 3.38Å; M281-Y283 VanDerWaalsContact C-N 3.32Å; M281-Y283 PolarHBondContact O-N 2.74Å; M281-I284 PolarHBondContact O-N 2.79Å; M281-Y285 PolarHBondContact O-N 3.26Å
282W94.5Very high89.4Confident169 Ų16998.6 Ų98.664%0.6451%0.505SS*.Hα-helixtrans-59.6-43.6174.8-175.1-85.6000111.7V278 G279 I284 Y285 E286V278-W282 WeakPolarHBondContact O-CB 2.99Å; V278-W282 PolarHBondContact O-N 2.99Å; G279-W282 PolarHBondContact O-N 2.51Å; W282-I284 PolarHBondContact O-N 2.96Å; W282-Y285 WeakPolarHBondContact O-CB 3.47Å; W282-Y285 PolarHBondContact O-N 3.09Å; W282-Y285 VanDerWaalsContact O-N 3.16Å; W282-E286 PolarHBondContact O-N 3.34Å
283Y94.7Very high87.8Confident164 Ų16498.6 Ų98.664%0.64351%0.509SS*.Hα-helixtrans-59.3-46.3177.8-179.1-99.7000112.2G279 G280 M281 Y285 E286 V287G279-Y283 WeakPolarHBondContact O-CB 3.04Å; G279-Y283 PolarHBondContact O-N 3.35Å; G280-Y283 PolarHBondContact O-N 3.45Å; M281-Y283 VanDerWaalsContact C-N 3.32Å; M281-Y283 PolarHBondContact O-N 2.74Å; Y283-Y285 VanDerWaalsContact C-N 3.31Å; Y283-Y285 PolarHBondContact O-N 3.38Å; Y283-E286 PolarHBondContact O-N 3.23Å; Y283-V287 HydrophobicContact CD1-CG2 4.38Å; Y283-V287 HydrophobicContact CE1-CG2 4.01Å; Y283-V287 HydrophobicContact CE2-CG2 4.31Å; Y283-V287 WeakPolarHBondContact O-CG2 3.19Å; Y283-V287 PolarHBondContact O-N 2.9Å
284I90.6Very high86.3Confident105 Ų105101.4 Ų101.454%0.53852%0.518SS..Hα-helixtrans-64.4-37.5176.4-63.6165.2000110.9G280 M281 W282 V287 T288G280-I284 WeakPolarHBondContact O-CG1 3.28Å; G280-I284 PolarHBondContact O-N 2.04Å; G280-I284 VanDerWaalsContact O-N 3.1Å; M281-I284 PolarHBondContact O-N 2.79Å; W282-I284 PolarHBondContact O-N 2.96Å; I284-V287 PolarHBondContact O-N 3.2Å; I284-T288 HydrophobicContact CG2-CG2 4.02Å; I284-T288 WeakPolarHBondContact O-CB 2.99Å; I284-T288 VanDerWaalsContact O-CG2 3.25Å; I284-T288 WeakPolarHBondContact O-CG2 3.09Å; I284-T288 PolarHBondContact O-N 3.44Å; I284-T288 PolarHBondContact O-OG1 2.87Å
285Y89.6Confident84.7Confident129 Ų129108.4 Ų108.451%0.50654%0.536SS..Hα-helixtrans-62.5-46.1177.6-173.4-95.9000111.9M281 W282 Y283 T288 K289M281-Y285 PolarHBondContact O-N 3.26Å; W282-Y285 WeakPolarHBondContact O-CB 3.47Å; W282-Y285 PolarHBondContact O-N 3.09Å; W282-Y285 VanDerWaalsContact O-N 3.16Å; Y283-Y285 VanDerWaalsContact C-N 3.31Å; Y283-Y285 PolarHBondContact O-N 3.38Å; Y285-T288 PolarHBondContact O-N 3.09Å; Y285-T288 PolarHBondContact O-OG1 3.46Å; Y285-T288 VanDerWaalsContact O-OG1 3.13Å; Y285-K289 HydrophobicContact CE1-CD 4.29Å; Y285-K289 WeakPolarHBondContact O-CB 3.19Å; Y285-K289 PolarHBondContact O-N 3.39Å
286E88.6Confident83Confident79 Ų79110.5 Ų110.537%0.36954%0.542SS..Hα-helixtrans-65.6-43.3177.5-77.2-62.8146.100112.2W282 Y283 K289 A290W282-E286 PolarHBondContact O-N 3.34Å; Y283-E286 PolarHBondContact O-N 3.23Å; E286-K289 PolarHBondContact O-N 2.92Å; E286-A290 PolarHBondContact O-N 2.82Å
287V86.8Confident81.3Confident61 Ų61110 Ų11037%0.3754%0.54SS..Hα-helixtrans-62.8-45.7176.8172.70000111.3Y283 I284 K289 A290 E291Y283-V287 HydrophobicContact CD1-CG2 4.38Å; Y283-V287 HydrophobicContact CE1-CG2 4.01Å; Y283-V287 HydrophobicContact CE2-CG2 4.31Å; Y283-V287 WeakPolarHBondContact O-CG2 3.19Å; Y283-V287 PolarHBondContact O-N 2.9Å; I284-V287 PolarHBondContact O-N 3.2Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.38Å; V287-A290 PolarHBondContact O-N 2.59Å; V287-E291 PolarHBondContact O-N 2.83Å
288T85.3Confident79.6Confident47 Ų47113 Ų11329%0.28854%0.543SS..Hα-helixtrans-71.3-27179.358.30000113I284 Y285 R292I284-T288 HydrophobicContact CG2-CG2 4.02Å; I284-T288 WeakPolarHBondContact O-CB 2.99Å; I284-T288 VanDerWaalsContact O-CG2 3.25Å; I284-T288 WeakPolarHBondContact O-CG2 3.09Å; I284-T288 PolarHBondContact O-N 3.44Å; I284-T288 PolarHBondContact O-OG1 2.87Å; Y285-T288 PolarHBondContact O-N 3.09Å; Y285-T288 PolarHBondContact O-OG1 3.46Å; Y285-T288 VanDerWaalsContact O-OG1 3.13Å; T288-R292 WeakPolarHBondContact O-CB 3.11Å; T288-R292 WeakPolarHBondContact O-CG 3.41Å; T288-R292 PolarHBondContact O-N 3.37Å
289K79.3Confident77.7Confident104 Ų104117.6 Ų117.645%0.45255%0.55SS..Hα-helixtrans-66.9-43.9171.9-176-179.7174.7-171.10110.6Y285 E286 V287 R292 V293Y285-K289 HydrophobicContact CE1-CD 4.29Å; Y285-K289 WeakPolarHBondContact O-CB 3.19Å; Y285-K289 PolarHBondContact O-N 3.39Å; E286-K289 PolarHBondContact O-N 2.92Å; V287-K289 VanDerWaalsContact C-N 3.33Å; V287-K289 PolarHBondContact O-N 3.38Å; K289-R292 PolarHBondContact O-N 3.28Å; K289-V293 WeakPolarHBondContact O-CG2 3.35Å; K289-V293 PolarHBondContact O-N 2.83Å; K289-V293 VanDerWaalsContact O-N 3.12Å
290A72.6Confident75.8Confident60 Ų60121.1 Ų121.150%0.49656%0.558SS.*Hα-helixtrans-61.5-44.4174.600000112E286 V287 R292 V293 M294E286-A290 PolarHBondContact O-N 2.82Å; V287-A290 PolarHBondContact O-N 2.59Å; A290-R292 PolarHBondContact O-N 3.02Å; A290-V293 PolarHBondContact O-N 3.01Å; A290-M294 PolarHBondContact O-N 3.29Å
291E69.4Low73.8Confident116 Ų116122.2 Ų122.254%0.54257%0.569SS.*Hα-helixtrans-66.6-35.4177.3-72.7-152.4156.700113.4V287 M294 R295V287-E291 PolarHBondContact O-N 2.83Å; E291-M294 PolarHBondContact O-N 2.89Å; E291-R295 WeakPolarHBondContact O-CB 2.84Å; E291-R295 PolarHBondContact O-N 3.3Å
292R64.1Low72.1Confident167 Ų167120.8 Ų120.863%0.6356%0.564SS**Hα-helixtrans-67.6-35.6176.5-81.1-167.3-94.6-167-6.1112.4T288 K289 A290 K296T288-R292 WeakPolarHBondContact O-CB 3.11Å; T288-R292 WeakPolarHBondContact O-CG 3.41Å; T288-R292 PolarHBondContact O-N 3.37Å; K289-R292 PolarHBondContact O-N 3.28Å; A290-R292 PolarHBondContact O-N 3.02Å; R292-K296 WeakPolarHBondContact O-CB 3.49Å; R292-K296 PolarHBondContact O-N 3.05Å
293V64Low70.1Confident100 Ų100119.7 Ų119.761%0.60657%0.571SS**Hα-helixtrans-67.7-43.9173.7175.10000110.6K289 A290 K296 N297K289-V293 WeakPolarHBondContact O-CG2 3.35Å; K289-V293 PolarHBondContact O-N 2.83Å; K289-V293 VanDerWaalsContact O-N 3.12Å; A290-V293 PolarHBondContact O-N 3.01Å; V293-K296 PolarHBondContact O-N 2.85Å; V293-N297 PolarHBondContact O-N 3.49Å
294M64.1Low68.2Low140 Ų140117.9 Ų117.969%0.6958%0.581SS**Hα-helixtrans-63.9-42.5176.6-75.9-68.8-165.500113A290 E291 N297 R298A290-M294 PolarHBondContact O-N 3.29Å; E291-M294 PolarHBondContact O-N 2.89Å; M294-N297 PolarHBondContact O-N 2.81Å; M294-R298 PolarHBondContact O-N 2.68Å
295R64.5Low66.1Low177 Ų177116 Ų11667%0.66859%0.588SS**Hα-helixtrans-67.2-34.6175.4-81.1-168.4-176.3-169.32.6112.9E291 R298 R299E291-R295 WeakPolarHBondContact O-CB 2.84Å; E291-R295 PolarHBondContact O-N 3.3Å; R295-R298 PolarHBondContact O-N 2.66Å; R295-R299 PolarHBondContact O-N 3.23Å; R295-R299 VanDerWaalsContact O-N 3.09Å
296K61.4Low64.1Low150 Ų150115.4 Ų115.465%0.65260%0.603SS**Hα-helixtrans-67-39.2175.5-171.7173.7178.9178.30110.9R292 V293 I300R292-K296 WeakPolarHBondContact O-CB 3.49Å; R292-K296 PolarHBondContact O-N 3.05Å; V293-K296 PolarHBondContact O-N 2.85Å; K296-I300 HydrophobicContact CG-CD1 4.29Å; K296-I300 WeakPolarHBondContact O-CD1 3.31Å; K296-I300 WeakPolarHBondContact O-CG1 3.3Å; K296-I300 PolarHBondContact O-N 3.15Å
297N61.1Low62Low117 Ų117117 Ų11763%0.62662%0.622SS**Hα-helixtrans-70.3-34.6176.5-147.937.9000112.5V293 M294 I300 G301V293-N297 PolarHBondContact O-N 3.49Å; M294-N297 PolarHBondContact O-N 2.81Å; N297-I300 PolarHBondContact O-N 3.5Å; N297-G301 PolarHBondContact O-N 2.94Å
298R59.7Low60.1Low184 Ų184120 Ų12069%0.69464%0.641SS**Hα-helixtrans-68.2-40.2175.7-165.5172.2178.11780.4112.8M294 R295 I300 G301 D302M294-R298 PolarHBondContact O-N 2.68Å; R295-R298 PolarHBondContact O-N 2.66Å; R298-I300 VanDerWaalsContact C-N 3.33Å; R298-I300 PolarHBondContact O-N 3.27Å; R298-G301 PolarHBondContact O-N 3.2Å; R298-D302 VanDerWaalsContact O-CG 3.31Å; R298-D302 PolarHBondContact O-N 3Å
299R55.9Low58.2Low190 Ų190126 Ų12672%0.71767%0.666SS**Hα-helixtrans-66.4-32.1175.6-71.2-157.8-147.3-144.68113.7R295 G301R295-R299 PolarHBondContact O-N 3.23Å; R295-R299 VanDerWaalsContact O-N 3.09Å; R299-G301 VanDerWaalsContact C-N 3.28Å
300I56.7Low56.4Low115 Ų115126.9 Ų126.959%0.5969%0.685SS**Hα-helixtrans-72.4-25.5177.2-67.9166.1000111.3K296 N297 R298K296-I300 HydrophobicContact CG-CD1 4.29Å; K296-I300 WeakPolarHBondContact O-CD1 3.31Å; K296-I300 WeakPolarHBondContact O-CG1 3.3Å; K296-I300 PolarHBondContact O-N 3.15Å; N297-I300 PolarHBondContact O-N 3.5Å; R298-I300 VanDerWaalsContact C-N 3.33Å; R298-I300 PolarHBondContact O-N 3.27Å
301G55Low55.1Low54 Ų54129.1 Ų129.156%0.55770%0.697SS**Hα-helixtrans-81.8-18.5176.800000115.2N297 R298 R299N297-G301 PolarHBondContact O-N 2.94Å; R298-G301 PolarHBondContact O-N 3.2Å; R299-G301 VanDerWaalsContact C-N 3.28Å
302D56.1Low53.9Low108 Ų108128.3 Ų128.358%0.57870%0.704SS**Hα-helixtrans-95.7-7.8-172.4-67.1-25000113.5R298 C304R298-D302 VanDerWaalsContact O-CG 3.31Å; R298-D302 PolarHBondContact O-N 3Å; D302-C304 VanDerWaalsContact C-N 3.32Å; D302-C304 PolarHBondContact O-N 3.1Å
303D53.6Low53.2Low147 Ų147125.7 Ų125.779%0.78671%0.711SS**THydrogen-bonded Turntrans-83.73.7178.6-89.6-36.3000114.6
304C54.5Low52.6Low125 Ų125126.6 Ų126.685%0.84572%0.719SS**THydrogen-bonded Turntrans-119.817.4177.8-77.60000114.6D302D302-C304 VanDerWaalsContact C-N 3.32Å; D302-C304 PolarHBondContact O-N 3.1Å
305G46.8Very low52.2Low66 Ų66125.6 Ų125.668%0.6872%0.721SS**  trans-142.866.3-171.300000114.8
306S47.5Very low51.4Low117 Ų117122.3 Ų122.382%0.81872%0.721SS**  trans-158.998.2161.9-177.20000111.4
307S43.6Very low50.3Low112 Ų112121.1 Ų121.178%0.78373%0.73SS**  trans-69.4135.8171.6-51.60000111.3
308T46.3Very low49.9Very low123 Ų123122.8 Ų122.876%0.75574%0.738SS**  trans-169.3120.4133.1150000111.2
309E45.2Very low49.1Very low175 Ų175120.1 Ų120.182%0.81874%0.742SS**  trans39.8102.3150.4-72.8171.19200119.4
310S41.6Very low48.7Very low121 Ų121115 Ų11585%0.84675%0.748SS**  161.4134.1108.948.20000113.2
311S46.8Very low48.1Very low107 Ų107115 Ų11575%0.74875%0.754SS**  trans66.6105.3154.1-161.30000121
312S43.7Very low47.3Very low99 Ų99120 Ų12069%0.69277%0.768SS**  trans66.7114.7139.262.70000121.1
313S49.5Very low46.9Very low113 Ų113119.4 Ų119.479%0.7978%0.779SS**  trans105.3121.7150.3-51.80000116.1
314P51.6Low46.5Very low118 Ų118123 Ų12377%0.76681%0.805SS**  trans-78.5162.1178.335.7-32.3000109.3
315T54.6Low46.1Very low120 Ų120122.9 Ų122.974%0.73680%0.803SS**  167.3113.9125.7-67.60000111.7
316T47.9Very low46.1Very low107 Ų107125.8 Ų125.866%0.65681%0.809SS**  trans62.5102.7151.852.10000122
317C38.9Very low46Very low125 Ų125126.3 Ų126.385%0.84581%0.809SS**  trans-75.4113.7141.5-55.70000108
318L51.9Low46.2Very low152 Ų152127.2 Ų127.280%0.79681%0.81SS**  trans-99.7113.3169.9-82.3167.3000109.3G320L318-G320 PolarHBondContact O-N 2.73Å
319T43.4Very low46.2Very low128 Ų128127.4 Ų127.479%0.78581%0.814SS**  trans-60.8118.4158.847.60000109
320G46.9Very low46.2Very low82 Ų82124.3 Ų124.385%0.84581%0.814SS**  trans-103.794.1170.800000110.4L318L318-G320 PolarHBondContact O-N 2.73Å
321T43.8Very low46.6Very low117 Ų117124.5 Ų124.572%0.71881%0.811SS**  trans-85.6142.1157.738.90000109.7
322D38.7Very low46.5Very low157 Ų157125.8 Ų125.884%0.8482%0.816SS**  trans82.8115.9154.5-53.2-31.7000121.3
323A48.8Very low46.8Very low97 Ų97128.1 Ų128.180%0.80283%0.827SS**  trans-156.6109139.900000111.4
324V45.2Very low46.5Very low221 Ų221129.5 Ų129.5100%1.33983%0.83SS**  trans78.50168.2-164.80000118.5

Retrieved 324 of 324 residues in 149.3 ms (Link to these results)

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