A0A024F986_HUMAN Loading...

HLA-DRB4 protein

AlphaFold DB (A0A024F9S8), UniProt , Accession A0A024F986, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB4, Length 226 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
1K93.6Very high95.4Very high152 Ų15276.8 Ų76.866%0.66141%0.407SS*.  0130.30-174.8-178.2179.2-151.50108.1E3 I17 R18 I20K1-E3 HydrophobicContact CD-CG 4.47Å; K1-E3 WeakPolarHBondContact CD-OE1 3.35Å; K1-E3 WeakPolarHBondContact CE-OE1 3.49Å; K1-E3 HydrophobicContact CG-CG 4.34Å; K1-E3 IonicContact NZ-OE1 2.65Å; K1-E3 PolarHBondContact NZ-OE1 3.2Å; K1-I17 CarbonylContact O-C 3.57Å; K1-I17 WeakPolarHBondContact O-CA 3.49Å; K1-R18 HydrophobicContact CB-CB 4.46Å; K1-R18 PolarHBondContact N-O 3.45Å; K1-R18 PolarHBondContact O-N 3Å; K1-I20 HydrophobicContact CB-CD1 4.35Å
2C95.3Very high95.4Very high74 Ų7483.1 Ų83.150%0.542%0.421SS..EExtended strand (participates in β ladder)trans-115.2132.4178.9-55.20000109.3
3E97.1Very high95.5Very high35 Ų3577.6 Ų77.616%0.16439%0.394CS..EExtended strand (participates in β ladder)trans-129.8129.7-175-64.1170.9-153.700108.8K1 H5 N15 L16 R18K1-E3 HydrophobicContact CD-CG 4.47Å; K1-E3 WeakPolarHBondContact CD-OE1 3.35Å; K1-E3 WeakPolarHBondContact CE-OE1 3.49Å; K1-E3 HydrophobicContact CG-CG 4.34Å; K1-E3 IonicContact NZ-OE1 2.65Å; K1-E3 PolarHBondContact NZ-OE1 3.2Å; E3-H5 IonicContact OE2-CE1 2.72Å; E3-H5 IonicContact OE2-NE2 3.83Å; E3-N15 WeakPolarHBondContact O-CA 3.47Å; E3-L16 HydrophobicContact CB-CB 4.34Å; E3-L16 PolarHBondContact N-O 2.84Å; E3-L16 PolarHBondContact O-N 2.94Å; E3-R18 IonicContact OE1-NE 3.52Å; E3-R18 PolarHBondContact OE1-NE 2.93Å; E3-R18 IonicContact OE2-NE 3.92Å
4C97.3Very high95.5Very high36 Ų3677.4 Ų77.424%0.24339%0.386CS..EExtended strand (participates in β ladder)trans-108.8122.1170.6-63.90000107.8F6 C68C4-F6 HydrophobicContact CB-CD2 4.44Å; C4-F6 HydrophobicContact CB-CE2 3.5Å; C4-F6 VanDerWaalsContact CB-CE2 3.5Å; C4-F6 HydrophobicContact CB-CZ 3.58Å; C4-F6 WeakPolarHBondContact O-CE2 3.39Å; C4-C68 HydrophobicContact CB-CB 3.59Å; C4-C68 WeakPolarHBondContact CB-SG 3.36Å; C4-C68 WeakPolarHBondContact SG-CA 3.15Å; C4-C68 WeakPolarHBondContact SG-CB 3.42Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 2.77Å
5H96.6Very high95.6Very high60 Ų6072.3 Ų72.328%0.27836%0.361SS..EExtended strand (participates in β ladder)trans-106.1133.8177.4-62.3-89.6000109.5E3 V13 W14E3-H5 IonicContact OE2-CE1 2.72Å; E3-H5 IonicContact OE2-NE2 3.83Å; H5-V13 WeakPolarHBondContact O-CA 3.42Å; H5-W14 HydrophobicContact CB-CD2 3.62Å; H5-W14 HydrophobicContact CB-CE3 4.09Å; H5-W14 HydrophobicContact CB-CG 4.19Å; H5-W14 HydrophobicContact CB-CH2 3.78Å; H5-W14 HydrophobicContact CB-CZ2 3.27Å; H5-W14 HydrophobicContact CB-CZ3 4.16Å; H5-W14 AromaticContact CD2-CD1 3.68Å; H5-W14 AromaticContact CD2-CE2 3.88Å; H5-W14 AromaticContact CD2-NE1 3.2Å; H5-W14 PolarHBondContact CD2-NE1 3.46Å; H5-W14 AromaticContact CG-CE2 3.58Å; H5-W14 AromaticContact CG-CZ2 3.73Å; H5-W14 AromaticContact CG-NE1 3.4Å; H5-W14 PolarHBondContact N-O 3.25Å; H5-W14 PolarHBondContact O-N 3.34Å
6F96.6Very high95.7Very high77 Ų7768.6 Ų68.634%0.33834%0.342SS..EExtended strand (participates in β ladder)trans-121.9124.9-173.5-61.1-83.6000108.6C4 G9 V13 C68 Y72C4-F6 HydrophobicContact CB-CD2 4.44Å; C4-F6 HydrophobicContact CB-CE2 3.5Å; C4-F6 VanDerWaalsContact CB-CE2 3.5Å; C4-F6 HydrophobicContact CB-CZ 3.58Å; C4-F6 WeakPolarHBondContact O-CE2 3.39Å; F6-G9 WeakPolarHBondContact CB-O 3.34Å; F6-V13 HydrophobicContact CD1-CG1 4.01Å; F6-V13 HydrophobicContact CD1-CG2 3.74Å; F6-V13 HydrophobicContact CE1-CG1 3.8Å; F6-V13 HydrophobicContact CE1-CG2 4.09Å; F6-C68 HydrophobicContact CE1-CB 4.27Å; F6-C68 HydrophobicContact CZ-CB 4.06Å; F6-C68 WeakPolarHBondContact CZ-O 3.34Å; F6-Y72 HydrophobicContact CB-CE2 4.38Å; F6-Y72 AromaticContact CD1-CD2 3.5Å; F6-Y72 HydrophobicContact CD1-CD2 3.5Å; F6-Y72 HydrophobicContact CD1-CE2 4.08Å; F6-Y72 HydrophobicContact CD1-CG 4.15Å; F6-Y72 HydrophobicContact CD2-CD2 4.05Å; F6-Y72 AromaticContact CE1-CD2 3.56Å; F6-Y72 HydrophobicContact CE1-CD2 3.56Å; F6-Y72 AromaticContact CE1-CG 3.87Å; F6-Y72 HydrophobicContact CE1-CG 3.87Å; F6-Y72 HydrophobicContact CE2-CD2 4.09Å; F6-Y72 AromaticContact CG-CD2 3.77Å; F6-Y72 HydrophobicContact CG-CD2 3.77Å; F6-Y72 HydrophobicContact CG-CE2 4.1Å; F6-Y72 AromaticContact CZ-CD2 3.86Å; F6-Y72 HydrophobicContact CZ-CD2 3.86Å; F6-Y72 HydrophobicContact CZ-CG 4.28Å
7L95.6Very high95.9Very high79 Ų7964.8 Ų64.841%0.41432%0.323SS..EExtended strand (participates in β ladder)trans-124.7129.8173.4-178.668.8000108.6R12 W14L7-R12 HydrophobicContact CB-CB 4.13Å; L7-R12 PolarHBondContact N-O 3.47Å; L7-R12 PolarHBondContact O-N 3.46Å; L7-W14 HydrophobicContact CB-CZ3 4.17Å
8N94.4Very high96Very high114 Ų11464.6 Ų64.661%0.6132%0.318SS*.THydrogen-bonded Turntrans5354.1-173-59-17.7000112.2T10 E11N8-T10 PolarHBondContact O-N 3.48Å; N8-E11 HydrophobicContact CB-CB 4.34Å; N8-E11 WeakPolarHBondContact CB-OE2 3.48Å; N8-E11 PolarHBondContact O-N 3.37Å
9G92.8Very high96.1Very high29 Ų2963.6 Ų63.630%0.29931%0.311SS..THydrogen-bonded Turntrans70.6-123.3-174.600000111.1F6F6-G9 WeakPolarHBondContact CB-O 3.34Å
10T95.8Very high96.2Very high59 Ų5964.6 Ų64.636%0.36232%0.317SS..THydrogen-bonded Turntrans-103.79-178.955.80000113.8N8 V13 R69 Y72N8-T10 PolarHBondContact O-N 3.48Å; T10-V13 WeakPolarHBondContact O-CG2 3.42Å; T10-R69 PolarHBondContact O-NE 3.23Å; T10-Y72 HydrophobicContact CG2-CD1 3.35Å; T10-Y72 HydrophobicContact CG2-CD2 4.33Å; T10-Y72 HydrophobicContact CG2-CE1 3.68Å; T10-Y72 HydrophobicContact CG2-CG 3.73Å
11E94.3Very high96.2Very high130 Ų13068.1 Ų68.161%0.60733%0.327SS*.THydrogen-bonded Turntrans-61.8-53.2178.4-171.1-168.4162.600110.7N8N8-E11 HydrophobicContact CB-CB 4.34Å; N8-E11 WeakPolarHBondContact CB-OE2 3.48Å; N8-E11 PolarHBondContact O-N 3.37Å
12R95.7Very high96.3Very high152 Ų15266.9 Ų66.957%0.57433%0.328SS*.EExtended strand (participates in β ladder)trans-116.7114.9175.8-66.9-177.4-175.3-166.21.5109.4L7L7-R12 HydrophobicContact CB-CB 4.13Å; L7-R12 PolarHBondContact N-O 3.47Å; L7-R12 PolarHBondContact O-N 3.46Å
13V96.9Very high96.3Very high12 Ų1272.5 Ų72.57%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-133.3129-178.8-173.10000108.6H5 F6 T10 V64 C68 R69H5-V13 WeakPolarHBondContact O-CA 3.42Å; F6-V13 HydrophobicContact CD1-CG1 4.01Å; F6-V13 HydrophobicContact CD1-CG2 3.74Å; F6-V13 HydrophobicContact CE1-CG1 3.8Å; F6-V13 HydrophobicContact CE1-CG2 4.09Å; T10-V13 WeakPolarHBondContact O-CG2 3.42Å; V13-V64 HydrophobicContact CB-CG1 3.85Å; V13-V64 HydrophobicContact CG1-CG1 3.82Å; V13-V64 WeakPolarHBondContact O-CG1 2.97Å; V13-C68 HydrophobicContact CG1-CB 3.67Å; V13-R69 HydrophobicContact CG2-CG 4.06Å
14W95.7Very high96.3Very high75 Ų7575.4 Ų75.428%0.28436%0.361SS..EExtended strand (participates in β ladder)trans-127.9143.6169.165.797.7000110.4H5 L7 S31 D32H5-W14 HydrophobicContact CB-CD2 3.62Å; H5-W14 HydrophobicContact CB-CE3 4.09Å; H5-W14 HydrophobicContact CB-CG 4.19Å; H5-W14 HydrophobicContact CB-CH2 3.78Å; H5-W14 HydrophobicContact CB-CZ2 3.27Å; H5-W14 HydrophobicContact CB-CZ3 4.16Å; H5-W14 AromaticContact CD2-CD1 3.68Å; H5-W14 AromaticContact CD2-CE2 3.88Å; H5-W14 AromaticContact CD2-NE1 3.2Å; H5-W14 PolarHBondContact CD2-NE1 3.46Å; H5-W14 AromaticContact CG-CE2 3.58Å; H5-W14 AromaticContact CG-CZ2 3.73Å; H5-W14 AromaticContact CG-NE1 3.4Å; H5-W14 PolarHBondContact N-O 3.25Å; H5-W14 PolarHBondContact O-N 3.34Å; L7-W14 HydrophobicContact CB-CZ3 4.17Å; W14-S31 VanDerWaalsContact CA-OG 3.25Å; W14-S31 WeakPolarHBondContact CA-OG 3.35Å; W14-S31 WeakPolarHBondContact CB-OG 3.14Å; W14-D32 WeakPolarHBondContact CB-OD1 3.45Å
15N97.1Very high96.3Very high1 Ų175 Ų751%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-103.4127176.5-173-37.3000108.5E3 I17 S31 V64 C68E3-N15 WeakPolarHBondContact O-CA 3.47Å; N15-I17 VanDerWaalsContact OD1-CG1 3.29Å; N15-I17 WeakPolarHBondContact OD1-CG1 3.46Å; N15-S31 PolarHBondContact N-OG 3.27Å; N15-S31 PolarHBondContact O-N 3.49Å; N15-S31 PolarHBondContact O-OG 3.12Å; N15-V64 HydrophobicContact CB-CG2 4.15Å; N15-C68 PolarHBondContact ND2-SG 2.82Å
16L97.4Very high96.4Very high13 Ų1374 Ų747%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-118.8116.7176.7-18063.5000109.5E3 R18 R28 Y29 N30E3-L16 HydrophobicContact CB-CB 4.34Å; E3-L16 PolarHBondContact N-O 2.84Å; E3-L16 PolarHBondContact O-N 2.94Å; L16-R18 HydrophobicContact CD2-CG 4.41Å; L16-R18 HydrophobicContact CG-CG 4.1Å; L16-R28 HydrophobicContact CD1-CB 4.46Å; L16-Y29 WeakPolarHBondContact CA-O 3.36Å; L16-Y29 WeakPolarHBondContact CD1-O 3.47Å; L16-N30 HydrophobicContact CD1-CB 4.26Å
17I97.6Very high96.5Very high4 Ų470.4 Ų70.42%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-108.4119175.8-52.8179.1000108K1 N15 Y19 R28 Y29K1-I17 CarbonylContact O-C 3.57Å; K1-I17 WeakPolarHBondContact O-CA 3.49Å; N15-I17 VanDerWaalsContact OD1-CG1 3.29Å; N15-I17 WeakPolarHBondContact OD1-CG1 3.46Å; I17-Y19 HydrophobicContact CB-CE2 4.46Å; I17-Y19 HydrophobicContact CG2-CD2 4.33Å; I17-Y19 HydrophobicContact CG2-CE2 3.64Å; I17-R28 CarbonylContact O-C 3.42Å; I17-R28 WeakPolarHBondContact O-CA 3.42Å; I17-R28 WeakPolarHBondContact O-CB 3.36Å; I17-Y29 HydrophobicContact CD1-CD1 4.43Å; I17-Y29 PolarHBondContact N-O 3.01Å; I17-Y29 PolarHBondContact O-N 3.48Å
18R98Very high96.6Very high60 Ų6070 Ų7023%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-109132.4178.8-54.7-177.7-178-103.73.9110.6K1 E3 L16 I20 E25 R28K1-R18 HydrophobicContact CB-CB 4.46Å; K1-R18 PolarHBondContact N-O 3.45Å; K1-R18 PolarHBondContact O-N 3Å; E3-R18 IonicContact OE1-NE 3.52Å; E3-R18 PolarHBondContact OE1-NE 2.93Å; E3-R18 IonicContact OE2-NE 3.92Å; L16-R18 HydrophobicContact CD2-CG 4.41Å; L16-R18 HydrophobicContact CG-CG 4.1Å; R18-I20 HydrophobicContact CB-CD1 4.22Å; R18-I20 HydrophobicContact CB-CG1 4.24Å; R18-E25 HydrophobicContact CB-CG 4.2Å; R18-E25 VanDerWaalsContact CG-OE1 3.31Å; R18-E25 WeakPolarHBondContact CG-OE1 3.37Å; R18-E25 IonicContact CZ-OE2 3.87Å; R18-E25 IonicContact NH1-OE1 2.77Å; R18-E25 PolarHBondContact NH1-OE1 3.47Å; R18-E25 IonicContact NH1-OE2 3.89Å; R18-E25 PolarHBondContact NH1-OE2 2.95Å; R18-R28 VanDerWaalsContact NH1-NH2 3.17Å
19Y97.9Very high96.8Very high46 Ų4664.5 Ų64.518%0.1830%0.297CS..EExtended strand (participates in β ladder)trans-105.2121173.7-64.2-99.7000108.6I17 E25 Y26 A27 Y36 W50I17-Y19 HydrophobicContact CB-CE2 4.46Å; I17-Y19 HydrophobicContact CG2-CD2 4.33Å; I17-Y19 HydrophobicContact CG2-CE2 3.64Å; Y19-E25 CarbonylContact O-C 3.52Å; Y19-E25 WeakPolarHBondContact O-CA 3.44Å; Y19-Y26 VanDerWaalsContact CB-CZ 3.48Å; Y19-Y26 WeakPolarHBondContact O-CD1 3.49Å; Y19-Y26 PolarHBondContact O-N 2.92Å; Y19-A27 WeakPolarHBondContact CB-O 3.47Å; Y19-A27 HydrophobicContact CD2-CB 4.48Å; Y19-A27 PolarHBondContact N-O 3.05Å; Y19-Y36 HydrophobicContact CE2-CD1 4.12Å; Y19-Y36 AromaticContact CE2-CE1 3.69Å; Y19-Y36 HydrophobicContact CE2-CE1 3.69Å; Y19-Y36 AromaticContact CZ-CE1 3.99Å; Y19-W50 AromaticContact CD1-CH2 3.47Å; Y19-W50 HydrophobicContact CD1-CH2 3.47Å; Y19-W50 VanDerWaalsContact CD1-CH2 3.47Å; Y19-W50 HydrophobicContact CD1-CZ2 4.24Å; Y19-W50 HydrophobicContact CD1-CZ3 4.12Å; Y19-W50 AromaticContact CD2-CH2 3.97Å; Y19-W50 HydrophobicContact CD2-CH2 3.97Å; Y19-W50 AromaticContact CD2-CZ3 3.75Å; Y19-W50 HydrophobicContact CD2-CZ3 3.75Å; Y19-W50 AromaticContact CE1-CH2 3.46Å; Y19-W50 HydrophobicContact CE1-CH2 3.46Å; Y19-W50 VanDerWaalsContact CE1-CH2 3.46Å; Y19-W50 AromaticContact CE1-CZ2 3.92Å; Y19-W50 HydrophobicContact CE1-CZ2 3.92Å; Y19-W50 HydrophobicContact CE1-CZ3 4.05Å; Y19-W50 HydrophobicContact CE2-CE3 4.42Å; Y19-W50 HydrophobicContact CE2-CH2 4.01Å; Y19-W50 AromaticContact CE2-CZ3 3.71Å; Y19-W50 HydrophobicContact CE2-CZ3 3.71Å; Y19-W50 AromaticContact CG-CH2 3.72Å; Y19-W50 HydrophobicContact CG-CH2 3.72Å; Y19-W50 AromaticContact CG-CZ3 3.96Å; Y19-W50 HydrophobicContact CG-CZ3 3.96Å; Y19-W50 AromaticContact CZ-CH2 3.74Å; Y19-W50 AromaticContact CZ-CZ3 3.84Å
20I98.2Very high96.9Very high83 Ų8364.9 Ų64.943%0.42629%0.292SS..EExtended strand (participates in β ladder)trans-130.2130-166.8-56.6168.2000109.1K1 R18 E24 E25K1-I20 HydrophobicContact CB-CD1 4.35Å; R18-I20 HydrophobicContact CB-CD1 4.22Å; R18-I20 HydrophobicContact CB-CG1 4.24Å; I20-E24 CarbonylContact C-O 3.44Å; I20-E24 VanDerWaalsContact CA-O 3.29Å; I20-E24 WeakPolarHBondContact CA-O 3.36Å; I20-E25 HydrophobicContact CG1-CB 4.11Å; I20-E25 HydrophobicContact CG1-CG 4.24Å
21Y96.6Very high96.9Very high139 Ų13963.1 Ų63.155%0.54528%0.282SS..EExtended strand (participates in β ladder)trans-126.1125.7174-179.5-105.7000109Q23 E24 L42Y21-Q23 PolarHBondContact O-N 3Å; Y21-Q23 VanDerWaalsContact O-N 3.12Å; Y21-E24 PolarHBondContact N-O 3.31Å; Y21-E24 WeakPolarHBondContact O-CA 3.37Å; Y21-E24 WeakPolarHBondContact O-CB 3.39Å; Y21-E24 PolarHBondContact O-N 3.41Å; Y21-L42 HydrophobicContact CD1-CD2 4.41Å
22N95Very high96.8Very high127 Ų12762 Ų6268%0.67928%0.281SS*.THydrogen-bonded Turntrans48.739.3-178.5-63.9-21.4000114.9E24N22-E24 PolarHBondContact O-N 3.47Å
23Q95.6Very high96.8Very high192 Ų19259.3 Ų59.390%0.89728%0.277SS*.THydrogen-bonded Turntrans73-5.2-175-46.9175.53.500115.5Y21Y21-Q23 PolarHBondContact O-N 3Å; Y21-Q23 VanDerWaalsContact O-N 3.12Å
24E97.2Very high96.7Very high95 Ų9559.6 Ų59.644%0.44428%0.283SS..EExtended strand (participates in β ladder)trans-85.7118170.4-172-176.7154.900109.7I20 Y21 N22 Y26 T40I20-E24 CarbonylContact C-O 3.44Å; I20-E24 VanDerWaalsContact CA-O 3.29Å; I20-E24 WeakPolarHBondContact CA-O 3.36Å; Y21-E24 PolarHBondContact N-O 3.31Å; Y21-E24 WeakPolarHBondContact O-CA 3.37Å; Y21-E24 WeakPolarHBondContact O-CB 3.39Å; Y21-E24 PolarHBondContact O-N 3.41Å; N22-E24 PolarHBondContact O-N 3.47Å; E24-Y26 PolarHBondContact O-N 2.98Å; E24-T40 HydrophobicContact CG-CG2 4.05Å; E24-T40 WeakPolarHBondContact OE1-CB 3.08Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.15Å; E24-T40 PolarHBondContact OE1-OG1 3.47Å
25E98.3Very high96.7Very high29 Ų2960.6 Ų60.614%0.13629%0.29CS..EExtended strand (participates in β ladder)trans-76.1113.5168.4-174.9-175.9174.500109.1R18 Y19 I20 R28 V39R18-E25 HydrophobicContact CB-CG 4.2Å; R18-E25 VanDerWaalsContact CG-OE1 3.31Å; R18-E25 WeakPolarHBondContact CG-OE1 3.37Å; R18-E25 IonicContact CZ-OE2 3.87Å; R18-E25 IonicContact NH1-OE1 2.77Å; R18-E25 PolarHBondContact NH1-OE1 3.47Å; R18-E25 IonicContact NH1-OE2 3.89Å; R18-E25 PolarHBondContact NH1-OE2 2.95Å; Y19-E25 CarbonylContact O-C 3.52Å; Y19-E25 WeakPolarHBondContact O-CA 3.44Å; I20-E25 HydrophobicContact CG1-CB 4.11Å; I20-E25 HydrophobicContact CG1-CG 4.24Å; E25-R28 WeakPolarHBondContact OE1-CB 3.47Å; E25-R28 IonicContact OE1-CZ 3.37Å; E25-R28 VanDerWaalsContact OE1-CZ 3.22Å; E25-R28 IonicContact OE1-NE 2.97Å; E25-R28 PolarHBondContact OE1-NE 3.29Å; E25-R28 IonicContact OE1-NH2 3.74Å; E25-R28 PolarHBondContact OE1-NH2 2.98Å; E25-R28 IonicContact OE2-CZ 2.69Å; E25-R28 IonicContact OE2-NE 3.51Å; E25-R28 IonicContact OE2-NH2 3.58Å; E25-R28 PolarHBondContact OE2-NH2 3.24Å; E25-V39 HydrophobicContact CG-CG2 4.16Å; E25-V39 VanDerWaalsContact O-CB 3.3Å; E25-V39 WeakPolarHBondContact O-CB 3.43Å; E25-V39 VanDerWaalsContact O-CG1 3.25Å; E25-V39 WeakPolarHBondContact O-CG1 3.48Å
26Y98.3Very high96.7Very high39 Ų3960.7 Ų60.715%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-98.5-27.9-175.366.7-96.9000113.1Y19 E24 V39 T40 L42 G43 D46 W50Y19-Y26 VanDerWaalsContact CB-CZ 3.48Å; Y19-Y26 WeakPolarHBondContact O-CD1 3.49Å; Y19-Y26 PolarHBondContact O-N 2.92Å; E24-Y26 PolarHBondContact O-N 2.98Å; Y26-V39 PolarHBondContact O-N 3Å; Y26-T40 PolarHBondContact O-N 3.49Å; Y26-L42 HydrophobicContact CG-CD2 4.34Å; Y26-G43 WeakPolarHBondContact O-CA 3.33Å; Y26-D46 HydrophobicContact CE2-CB 4.49Å; Y26-D46 VanDerWaalsContact CE2-OD2 3.27Å; Y26-D46 WeakPolarHBondContact CE2-OD2 3.49Å; Y26-W50 HydrophobicContact CE2-CH2 4.31Å
27A98.3Very high96.8Very high0 Ų063.5 Ų63.50%030%0.303CS..EExtended strand (participates in β ladder)trans-148.4156.1177.400000111.5Y19 Q37 W50Y19-A27 WeakPolarHBondContact CB-O 3.47Å; Y19-A27 HydrophobicContact CD2-CB 4.48Å; Y19-A27 PolarHBondContact N-O 3.05Å; A27-Q37 CarbonylContact C-O 3.57Å; A27-Q37 VanDerWaalsContact CA-O 3.27Å; A27-Q37 WeakPolarHBondContact CA-O 3.44Å; A27-W50 HydrophobicContact CB-CZ3 3.85Å
28R98.2Very high96.8Very high70 Ų7065.6 Ų65.626%0.26432%0.321SS..EExtended strand (participates in β ladder)trans-147.3154.4175.664.7176.659158.87.5113.2L16 I17 R18 E25 Y36 Q37 V39L16-R28 HydrophobicContact CD1-CB 4.46Å; I17-R28 CarbonylContact O-C 3.42Å; I17-R28 WeakPolarHBondContact O-CA 3.42Å; I17-R28 WeakPolarHBondContact O-CB 3.36Å; R18-R28 VanDerWaalsContact NH1-NH2 3.17Å; E25-R28 WeakPolarHBondContact OE1-CB 3.47Å; E25-R28 IonicContact OE1-CZ 3.37Å; E25-R28 VanDerWaalsContact OE1-CZ 3.22Å; E25-R28 IonicContact OE1-NE 2.97Å; E25-R28 PolarHBondContact OE1-NE 3.29Å; E25-R28 IonicContact OE1-NH2 3.74Å; E25-R28 PolarHBondContact OE1-NH2 2.98Å; E25-R28 IonicContact OE2-CZ 2.69Å; E25-R28 IonicContact OE2-NE 3.51Å; E25-R28 IonicContact OE2-NH2 3.58Å; E25-R28 PolarHBondContact OE2-NH2 3.24Å; R28-Y36 CarbonylContact O-C 3.46Å; R28-Y36 VanDerWaalsContact O-CA 3.25Å; R28-Y36 WeakPolarHBondContact O-CA 3.26Å; R28-Q37 HydrophobicContact CG-CB 4.24Å; R28-Q37 PolarHBondContact N-O 3.05Å; R28-Q37 PolarHBondContact O-N 3.48Å; R28-V39 HydrophobicContact CB-CG2 4.25Å; R28-V39 HydrophobicContact CG-CG2 3.76Å
29Y98Very high96.8Very high0 Ų065.7 Ų65.70%033%0.328CS..EExtended strand (participates in β ladder)trans-114.8129.2165.3173.5-89.9000109L16 I17 G34 E35 Y36 L57 R60 R61L16-Y29 WeakPolarHBondContact CA-O 3.36Å; L16-Y29 WeakPolarHBondContact CD1-O 3.47Å; I17-Y29 HydrophobicContact CD1-CD1 4.43Å; I17-Y29 PolarHBondContact N-O 3.01Å; I17-Y29 PolarHBondContact O-N 3.48Å; Y29-G34 VanDerWaalsContact CE2-C 3.48Å; Y29-E35 WeakPolarHBondContact CD2-O 3.45Å; Y29-Y36 HydrophobicContact CD2-CD1 4.47Å; Y29-Y36 AromaticContact CD2-CD2 3.9Å; Y29-Y36 HydrophobicContact CD2-CD2 3.9Å; Y29-Y36 HydrophobicContact CD2-CE1 4.48Å; Y29-Y36 AromaticContact CD2-CE2 3.91Å; Y29-Y36 HydrophobicContact CD2-CE2 3.91Å; Y29-Y36 HydrophobicContact CD2-CG 4.2Å; Y29-Y36 HydrophobicContact CG-CE1 4.41Å; Y29-L57 HydrophobicContact CE2-CD2 4.2Å; Y29-R60 HydrophobicContact CD1-CB 4.15Å; Y29-R60 HydrophobicContact CD2-CB 4.25Å; Y29-R60 HydrophobicContact CD2-CG 4.44Å; Y29-R60 HydrophobicContact CE1-CB 3.64Å; Y29-R60 HydrophobicContact CE1-CG 4.47Å; Y29-R60 HydrophobicContact CE2-CB 3.74Å; Y29-R60 HydrophobicContact CE2-CG 4.38Å; Y29-R60 HydrophobicContact CG-CB 4.44Å; Y29-R60 VanDerWaalsContact CZ-CB 3.41Å; Y29-R61 VanDerWaalsContact OH-CG 3.24Å; Y29-R61 WeakPolarHBondContact OH-CG 3.45Å; Y29-R61 PolarHBondContact OH-N 3.03Å
30N95.7Very high96.8Very high36 Ų3665.4 Ų65.419%0.19333%0.331CS..EExtended strand (participates in β ladder)trans-116.3122.3171.8-176-9.1000108.9L16 D32 L33 G34L16-N30 HydrophobicContact CD1-CB 4.26Å; N30-D32 PolarHBondContact O-N 3.03Å; N30-D32 PolarHBondContact OD1-N 3.36Å; N30-L33 HydrophobicContact CB-CB 4.47Å; N30-L33 HydrophobicContact CB-CD1 4.19Å; N30-L33 HydrophobicContact CB-CG 4.3Å; N30-L33 PolarHBondContact O-N 3.07Å; N30-G34 PolarHBondContact O-N 3.29Å
31S95.6Very high96.7Very high22 Ų2267.8 Ų67.815%0.15434%0.341CS..THydrogen-bonded Turntrans-60.2-26.4179.462.90000113.9W14 N15 L33 G34 V64W14-S31 VanDerWaalsContact CA-OG 3.25Å; W14-S31 WeakPolarHBondContact CA-OG 3.35Å; W14-S31 WeakPolarHBondContact CB-OG 3.14Å; N15-S31 PolarHBondContact N-OG 3.27Å; N15-S31 PolarHBondContact O-N 3.49Å; N15-S31 PolarHBondContact O-OG 3.12Å; S31-L33 PolarHBondContact O-N 3.03Å; S31-G34 PolarHBondContact O-N 3.39Å; S31-V64 VanDerWaalsContact CB-CG2 3.5Å
32D92.6Very high96.7Very high108 Ų10865.6 Ų65.658%0.57834%0.338SS*.THydrogen-bonded Turntrans-67.9-28.5176.5-69.6-15.7000112.2W14 N30W14-D32 WeakPolarHBondContact CB-OD1 3.45Å; N30-D32 PolarHBondContact O-N 3.03Å; N30-D32 PolarHBondContact OD1-N 3.36Å
33L93.9Very high96.9Very high95 Ų9559.6 Ų59.650%0.49731%0.306SS..THydrogen-bonded Turntrans-94.6-28.9177.7-57.9175.1000111.1N30 S31 E35N30-L33 HydrophobicContact CB-CB 4.47Å; N30-L33 HydrophobicContact CB-CD1 4.19Å; N30-L33 HydrophobicContact CB-CG 4.3Å; N30-L33 PolarHBondContact O-N 3.07Å; S31-L33 PolarHBondContact O-N 3.03Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 HydrophobicContact CB-CG 4.48Å; L33-E35 PolarHBondContact O-N 3.08Å
34G94.8Very high97Very high18 Ų1856.2 Ų56.219%0.18629%0.285CS..THydrogen-bonded Turntrans77.112.1176.500000114.4Y29 N30 S31Y29-G34 VanDerWaalsContact CE2-C 3.48Å; N30-G34 PolarHBondContact O-N 3.29Å; S31-G34 PolarHBondContact O-N 3.39Å
35E96.2Very high97Very high95 Ų9555.5 Ų55.544%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-144.2163.2-17865.5179.3-166.800112.5Y29 L33Y29-E35 WeakPolarHBondContact CD2-O 3.45Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 HydrophobicContact CB-CG 4.48Å; L33-E35 PolarHBondContact O-N 3.08Å
36Y97.9Very high97Very high3 Ų356.7 Ų56.71%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-82.1140.9172.2-66.9-96.8000110.7Y19 R28 Y29 W50 N51 L56 L57 R60Y19-Y36 HydrophobicContact CE2-CD1 4.12Å; Y19-Y36 AromaticContact CE2-CE1 3.69Å; Y19-Y36 HydrophobicContact CE2-CE1 3.69Å; Y19-Y36 AromaticContact CZ-CE1 3.99Å; R28-Y36 CarbonylContact O-C 3.46Å; R28-Y36 VanDerWaalsContact O-CA 3.25Å; R28-Y36 WeakPolarHBondContact O-CA 3.26Å; Y29-Y36 HydrophobicContact CD2-CD1 4.47Å; Y29-Y36 AromaticContact CD2-CD2 3.9Å; Y29-Y36 HydrophobicContact CD2-CD2 3.9Å; Y29-Y36 HydrophobicContact CD2-CE1 4.48Å; Y29-Y36 AromaticContact CD2-CE2 3.91Å; Y29-Y36 HydrophobicContact CD2-CE2 3.91Å; Y29-Y36 HydrophobicContact CD2-CG 4.2Å; Y29-Y36 HydrophobicContact CG-CE1 4.41Å; Y36-W50 HydrophobicContact CD1-CB 4.31Å; Y36-W50 HydrophobicContact CD1-CD2 4.1Å; Y36-W50 AromaticContact CD1-CE3 3.26Å; Y36-W50 HydrophobicContact CD1-CE3 3.26Å; Y36-W50 AromaticContact CD1-CZ3 3.89Å; Y36-W50 HydrophobicContact CD1-CZ3 3.89Å; Y36-W50 HydrophobicContact CD2-CB 3.56Å; Y36-W50 HydrophobicContact CE1-CB 4.44Å; Y36-W50 HydrophobicContact CE1-CD2 4.11Å; Y36-W50 AromaticContact CE1-CE3 3.59Å; Y36-W50 HydrophobicContact CE1-CE3 3.59Å; Y36-W50 HydrophobicContact CE1-CG 4.5Å; Y36-W50 HydrophobicContact CE1-CZ3 4.17Å; Y36-W50 HydrophobicContact CE2-CB 3.73Å; Y36-W50 HydrophobicContact CE2-CG 4.49Å; Y36-W50 HydrophobicContact CG-CB 3.87Å; Y36-W50 HydrophobicContact CG-CD2 4.47Å; Y36-W50 AromaticContact CG-CE3 3.81Å; Y36-W50 HydrophobicContact CG-CE3 3.81Å; Y36-N51 PolarHBondContact N-OD1 3.46Å; Y36-N51 PolarHBondContact O-ND2 3.35Å; Y36-L56 HydrophobicContact CE2-CD2 3.94Å; Y36-L56 HydrophobicContact CE2-CG 4.15Å; Y36-L57 HydrophobicContact CD2-CD2 3.81Å; Y36-L57 HydrophobicContact CE2-CD2 3.89Å; Y36-R60 HydrophobicContact CE2-CG 4.31Å; Y36-R60 VanDerWaalsContact OH-CG 3.3Å; Y36-R60 WeakPolarHBondContact OH-CG 3.28Å; Y36-R60 PolarHBondContact OH-NE 3.17Å
37Q98.1Very high97Very high72 Ų7255.2 Ų55.234%0.33629%0.291SS..EExtended strand (participates in β ladder)trans-123.3132.4177.4-62-172.1-21.100109.4A27 R28 V39A27-Q37 CarbonylContact C-O 3.57Å; A27-Q37 VanDerWaalsContact CA-O 3.27Å; A27-Q37 WeakPolarHBondContact CA-O 3.44Å; R28-Q37 HydrophobicContact CG-CB 4.24Å; R28-Q37 PolarHBondContact N-O 3.05Å; R28-Q37 PolarHBondContact O-N 3.48Å; Q37-V39 PolarHBondContact O-N 3.36Å
38A97.8Very high97Very high48 Ų4861.2 Ų61.240%0.39732%0.32SS..EExtended strand (participates in β ladder)trans-70.5123.5165.200000108.6R44 A47A38-R44 HydrophobicContact CB-CB 4.34Å; A38-A47 HydrophobicContact CB-CB 4.12Å
39V98Very high97Very high62 Ų6264.3 Ų64.338%0.37633%0.332SS..SBendtrans-88.3-34.2174.6-179.90000109.6E25 Y26 R28 Q37E25-V39 HydrophobicContact CG-CG2 4.16Å; E25-V39 VanDerWaalsContact O-CB 3.3Å; E25-V39 WeakPolarHBondContact O-CB 3.43Å; E25-V39 VanDerWaalsContact O-CG1 3.25Å; E25-V39 WeakPolarHBondContact O-CG1 3.48Å; Y26-V39 PolarHBondContact O-N 3Å; R28-V39 HydrophobicContact CB-CG2 4.25Å; R28-V39 HydrophobicContact CG-CG2 3.76Å; Q37-V39 PolarHBondContact O-N 3.36Å
40T97.8Very high97Very high40 Ų4066 Ų6625%0.24534%0.339CS..SBendtrans-132.4169173.772.90000110.7E24 Y26 L42 G43E24-T40 HydrophobicContact CG-CG2 4.05Å; E24-T40 WeakPolarHBondContact OE1-CB 3.08Å; E24-T40 WeakPolarHBondContact OE1-CG2 3.15Å; E24-T40 PolarHBondContact OE1-OG1 3.47Å; Y26-T40 PolarHBondContact O-N 3.49Å; T40-L42 PolarHBondContact O-N 3.36Å; T40-G43 PolarHBondContact O-N 2.96Å
41E96.7Very high97.1Very high133 Ų13366.1 Ų66.162%0.62134%0.339SS*.G310 helixtrans-58-31.2-178.9-70.5-59.4152.600112.9G43 R44E41-G43 PolarHBondContact O-N 3.3Å; E41-R44 WeakPolarHBondContact O-CB 3.3Å; E41-R44 PolarHBondContact O-N 2.95Å; E41-R44 IonicContact OE1-CZ 3.52Å; E41-R44 IonicContact OE1-NH2 3.73Å; E41-R44 PolarHBondContact OE1-NH2 2.88Å; E41-R44 IonicContact OE2-CZ 2.74Å; E41-R44 IonicContact OE2-NE 3.05Å; E41-R44 PolarHBondContact OE2-NE 2.87Å; E41-R44 IonicContact OE2-NH2 2.61Å; E41-R44 PolarHBondContact OE2-NH2 3.42Å
42L97Very high97.3Very high94 Ų9468.5 Ų68.549%0.49236%0.356SS..G310 helixtrans-58.4-34.9176.4-179.363.9000112.2Y21 Y26 T40 P45Y21-L42 HydrophobicContact CD1-CD2 4.41Å; Y26-L42 HydrophobicContact CG-CD2 4.34Å; T40-L42 PolarHBondContact O-N 3.36Å; L42-P45 WeakPolarHBondContact O-CD 3.34Å
43G98.2Very high97.5Very high0 Ų066.3 Ų66.30%034%0.342CS..G310 helixtrans-88.9-4.3-177.300000115.9Y26 T40 E41 D46 A47Y26-G43 WeakPolarHBondContact O-CA 3.33Å; T40-G43 PolarHBondContact O-N 2.96Å; E41-G43 PolarHBondContact O-N 3.3Å; G43-D46 PolarHBondContact O-N 3.21Å; G43-A47 WeakPolarHBondContact O-CB 3.34Å; G43-A47 PolarHBondContact O-N 3.47Å
44R98.2Very high97.6Very high122 Ų12268.4 Ų68.446%0.4635%0.347SS..Hα-helixtrans-53.9-53.3176.4-170.7-171.3-66-118.10.9113A38 E41 D46 A47 E48A38-R44 HydrophobicContact CB-CB 4.34Å; E41-R44 WeakPolarHBondContact O-CB 3.3Å; E41-R44 PolarHBondContact O-N 2.95Å; E41-R44 IonicContact OE1-CZ 3.52Å; E41-R44 IonicContact OE1-NH2 3.73Å; E41-R44 PolarHBondContact OE1-NH2 2.88Å; E41-R44 IonicContact OE2-CZ 2.74Å; E41-R44 IonicContact OE2-NE 3.05Å; E41-R44 PolarHBondContact OE2-NE 2.87Å; E41-R44 IonicContact OE2-NH2 2.61Å; E41-R44 PolarHBondContact OE2-NH2 3.42Å; R44-D46 VanDerWaalsContact C-N 3.29Å; R44-D46 PolarHBondContact O-N 3.11Å; R44-A47 PolarHBondContact O-N 3.13Å; R44-E48 WeakPolarHBondContact CG-OE1 3.35Å; R44-E48 WeakPolarHBondContact O-CG 3.33Å; R44-E48 PolarHBondContact O-N 3.35Å
45P98.3Very high97.8Very high80 Ų8072.8 Ų72.852%0.51937%0.367SS..Hα-helixtrans-60.9-38.9179.923.6-35000112.6L42 Y49L42-P45 WeakPolarHBondContact O-CD 3.34Å; P45-Y49 VanDerWaalsContact O-CB 3.31Å; P45-Y49 WeakPolarHBondContact O-CB 3.37Å; P45-Y49 PolarHBondContact O-N 2.74Å
46D98.3Very high97.8Very high54 Ų5470 Ų7029%0.28936%0.355SS..Hα-helixtrans-69.2-44.9-179.9-72-33.5000112Y26 G43 R44 Y49 W50Y26-D46 HydrophobicContact CE2-CB 4.49Å; Y26-D46 VanDerWaalsContact CE2-OD2 3.27Å; Y26-D46 WeakPolarHBondContact CE2-OD2 3.49Å; G43-D46 PolarHBondContact O-N 3.21Å; R44-D46 VanDerWaalsContact C-N 3.29Å; R44-D46 PolarHBondContact O-N 3.11Å; D46-Y49 PolarHBondContact O-N 3.16Å; D46-W50 HydrophobicContact CB-CD2 4.23Å; D46-W50 HydrophobicContact CB-CE3 4.09Å; D46-W50 HydrophobicContact CB-CH2 3.71Å; D46-W50 HydrophobicContact CB-CZ2 3.83Å; D46-W50 HydrophobicContact CB-CZ3 3.85Å; D46-W50 WeakPolarHBondContact O-CB 3.42Å; D46-W50 VanDerWaalsContact O-CD2 3.23Å; D46-W50 PolarHBondContact O-N 3.17Å
47A98.1Very high97.8Very high7 Ų770.5 Ų70.56%0.05836%0.357CS..Hα-helixtrans-62.8-44.1178.700000111.6A38 G43 R44 N51A38-A47 HydrophobicContact CB-CB 4.12Å; G43-A47 WeakPolarHBondContact O-CB 3.34Å; G43-A47 PolarHBondContact O-N 3.47Å; R44-A47 PolarHBondContact O-N 3.13Å; A47-N51 VanDerWaalsContact O-CB 3.27Å; A47-N51 WeakPolarHBondContact O-CB 3.15Å; A47-N51 PolarHBondContact O-N 2.98Å; A47-N51 PolarHBondContact O-ND2 3.23Å; A47-N51 VanDerWaalsContact O-ND2 3.14Å
48E97.9Very high97.7Very high126 Ų12673 Ų7359%0.58937%0.369SS*.Hα-helixtrans-60.6-48.5175.3-73.1175.1-170.500111.4R44 N51 S52R44-E48 WeakPolarHBondContact CG-OE1 3.35Å; R44-E48 WeakPolarHBondContact O-CG 3.33Å; R44-E48 PolarHBondContact O-N 3.35Å; E48-N51 PolarHBondContact O-N 3.45Å; E48-S52 PolarHBondContact O-N 2.94Å
49Y98.3Very high97.6Very high135 Ų13578.8 Ų78.853%0.52938%0.38SS..Hα-helixtrans-62-50178.7178-108.6000111.8P45 D46 N51 S52 Q53P45-Y49 VanDerWaalsContact O-CB 3.31Å; P45-Y49 WeakPolarHBondContact O-CB 3.37Å; P45-Y49 PolarHBondContact O-N 2.74Å; D46-Y49 PolarHBondContact O-N 3.16Å; Y49-N51 VanDerWaalsContact C-N 3.34Å; Y49-N51 PolarHBondContact O-N 2.96Å; Y49-S52 WeakPolarHBondContact O-CB 3.02Å; Y49-S52 PolarHBondContact O-N 3.08Å; Y49-S52 VanDerWaalsContact O-N 3.1Å; Y49-S52 PolarHBondContact O-OG 3.26Å; Y49-Q53 HydrophobicContact CE1-CG 4.46Å; Y49-Q53 VanDerWaalsContact CE2-NE2 3.31Å
50W98.4Very high97.5Very high37 Ų3777.9 Ų77.914%0.1437%0.37CS..Hα-helixtrans-65.4-34.9-178.5-63.7-27.2000113.1Y19 Y26 A27 Y36 D46 S52 Q53 L56Y19-W50 AromaticContact CD1-CH2 3.47Å; Y19-W50 HydrophobicContact CD1-CH2 3.47Å; Y19-W50 VanDerWaalsContact CD1-CH2 3.47Å; Y19-W50 HydrophobicContact CD1-CZ2 4.24Å; Y19-W50 HydrophobicContact CD1-CZ3 4.12Å; Y19-W50 AromaticContact CD2-CH2 3.97Å; Y19-W50 HydrophobicContact CD2-CH2 3.97Å; Y19-W50 AromaticContact CD2-CZ3 3.75Å; Y19-W50 HydrophobicContact CD2-CZ3 3.75Å; Y19-W50 AromaticContact CE1-CH2 3.46Å; Y19-W50 HydrophobicContact CE1-CH2 3.46Å; Y19-W50 VanDerWaalsContact CE1-CH2 3.46Å; Y19-W50 AromaticContact CE1-CZ2 3.92Å; Y19-W50 HydrophobicContact CE1-CZ2 3.92Å; Y19-W50 HydrophobicContact CE1-CZ3 4.05Å; Y19-W50 HydrophobicContact CE2-CE3 4.42Å; Y19-W50 HydrophobicContact CE2-CH2 4.01Å; Y19-W50 AromaticContact CE2-CZ3 3.71Å; Y19-W50 HydrophobicContact CE2-CZ3 3.71Å; Y19-W50 AromaticContact CG-CH2 3.72Å; Y19-W50 HydrophobicContact CG-CH2 3.72Å; Y19-W50 AromaticContact CG-CZ3 3.96Å; Y19-W50 HydrophobicContact CG-CZ3 3.96Å; Y19-W50 AromaticContact CZ-CH2 3.74Å; Y19-W50 AromaticContact CZ-CZ3 3.84Å; Y26-W50 HydrophobicContact CE2-CH2 4.31Å; A27-W50 HydrophobicContact CB-CZ3 3.85Å; Y36-W50 HydrophobicContact CD1-CB 4.31Å; Y36-W50 HydrophobicContact CD1-CD2 4.1Å; Y36-W50 AromaticContact CD1-CE3 3.26Å; Y36-W50 HydrophobicContact CD1-CE3 3.26Å; Y36-W50 AromaticContact CD1-CZ3 3.89Å; Y36-W50 HydrophobicContact CD1-CZ3 3.89Å; Y36-W50 HydrophobicContact CD2-CB 3.56Å; Y36-W50 HydrophobicContact CE1-CB 4.44Å; Y36-W50 HydrophobicContact CE1-CD2 4.11Å; Y36-W50 AromaticContact CE1-CE3 3.59Å; Y36-W50 HydrophobicContact CE1-CE3 3.59Å; Y36-W50 HydrophobicContact CE1-CG 4.5Å; Y36-W50 HydrophobicContact CE1-CZ3 4.17Å; Y36-W50 HydrophobicContact CE2-CB 3.73Å; Y36-W50 HydrophobicContact CE2-CG 4.49Å; Y36-W50 HydrophobicContact CG-CB 3.87Å; Y36-W50 HydrophobicContact CG-CD2 4.47Å; Y36-W50 AromaticContact CG-CE3 3.81Å; Y36-W50 HydrophobicContact CG-CE3 3.81Å; D46-W50 HydrophobicContact CB-CD2 4.23Å; D46-W50 HydrophobicContact CB-CE3 4.09Å; D46-W50 HydrophobicContact CB-CH2 3.71Å; D46-W50 HydrophobicContact CB-CZ2 3.83Å; D46-W50 HydrophobicContact CB-CZ3 3.85Å; D46-W50 WeakPolarHBondContact O-CB 3.42Å; D46-W50 VanDerWaalsContact O-CD2 3.23Å; D46-W50 PolarHBondContact O-N 3.17Å; W50-S52 PolarHBondContact O-N 2.99Å; W50-Q53 PolarHBondContact O-N 3.09Å; W50-L56 HydrophobicContact CB-CD2 3.82Å; W50-L56 HydrophobicContact CG-CD2 4Å
51N98.3Very high97.4Very high38 Ų3881.8 Ų81.820%0.20338%0.381CS..Hα-helixtrans-70.1-21.9175.1-74.2-25.7000113.4Y36 A47 E48 Y49 Q53 L57Y36-N51 PolarHBondContact N-OD1 3.46Å; Y36-N51 PolarHBondContact O-ND2 3.35Å; A47-N51 VanDerWaalsContact O-CB 3.27Å; A47-N51 WeakPolarHBondContact O-CB 3.15Å; A47-N51 PolarHBondContact O-N 2.98Å; A47-N51 PolarHBondContact O-ND2 3.23Å; A47-N51 VanDerWaalsContact O-ND2 3.14Å; E48-N51 PolarHBondContact O-N 3.45Å; Y49-N51 VanDerWaalsContact C-N 3.34Å; Y49-N51 PolarHBondContact O-N 2.96Å; N51-Q53 VanDerWaalsContact C-N 3.31Å; N51-L57 WeakPolarHBondContact O-CD1 3.02Å
52S97.8Very high97.4Very high72 Ų7277.5 Ų77.550%0.50337%0.367SS..Hα-helixtrans-74.1-21.5172.779.70000113.2E48 Y49 W50 K54E48-S52 PolarHBondContact O-N 2.94Å; Y49-S52 WeakPolarHBondContact O-CB 3.02Å; Y49-S52 PolarHBondContact O-N 3.08Å; Y49-S52 VanDerWaalsContact O-N 3.1Å; Y49-S52 PolarHBondContact O-OG 3.26Å; W50-S52 PolarHBondContact O-N 2.99Å; S52-K54 PolarHBondContact O-N 3.06Å
53Q98.1Very high97.4Very high61 Ų6174.2 Ų74.229%0.28535%0.35SS..  trans-87.7100.4-178.3-56.2-61.7-32.500111Y49 W50 N51 L56 L57Y49-Q53 HydrophobicContact CE1-CG 4.46Å; Y49-Q53 VanDerWaalsContact CE2-NE2 3.31Å; W50-Q53 PolarHBondContact O-N 3.09Å; N51-Q53 VanDerWaalsContact C-N 3.31Å; Q53-L56 HydrophobicContact CB-CB 3.76Å; Q53-L56 HydrophobicContact CB-CD2 4.35Å; Q53-L56 PolarHBondContact O-N 2.83Å; Q53-L57 PolarHBondContact O-N 3.39Å
54K96.5Very high97.4Very high140 Ų14074.9 Ų74.961%0.60935%0.354SS*.Hα-helixtrans-68.2-39.9-174.2-64.8-56.2-176.4-166.40113.7S52 L56 L57 E58S52-K54 PolarHBondContact O-N 3.06Å; K54-L56 VanDerWaalsContact C-N 3.31Å; K54-L56 PolarHBondContact O-N 3.48Å; K54-L57 PolarHBondContact O-N 3.47Å; K54-E58 WeakPolarHBondContact O-CG 3.39Å; K54-E58 PolarHBondContact O-N 3.06Å
55D97.4Very high97.4Very high110 Ų11073.4 Ų73.459%0.58836%0.355SS*.Hα-helixtrans-59.3-41.6174.762.9-34.8000111.8E58 R59D55-E58 PolarHBondContact O-N 2.64Å; D55-R59 WeakPolarHBondContact O-CB 3.48Å; D55-R59 PolarHBondContact O-N 3.36Å
56L96.9Very high97.3Very high37 Ų3774 Ų7419%0.19436%0.357CS..Hα-helixtrans-62.7-48.7175.418061.9000111.2Y36 W50 Q53 K54 E58 R59 R60Y36-L56 HydrophobicContact CE2-CD2 3.94Å; Y36-L56 HydrophobicContact CE2-CG 4.15Å; W50-L56 HydrophobicContact CB-CD2 3.82Å; W50-L56 HydrophobicContact CG-CD2 4Å; Q53-L56 HydrophobicContact CB-CB 3.76Å; Q53-L56 HydrophobicContact CB-CD2 4.35Å; Q53-L56 PolarHBondContact O-N 2.83Å; K54-L56 VanDerWaalsContact C-N 3.31Å; K54-L56 PolarHBondContact O-N 3.48Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 3.05Å; L56-R59 PolarHBondContact O-N 2.67Å; L56-R60 HydrophobicContact CD1-CG 4.36Å; L56-R60 WeakPolarHBondContact O-CG 3.29Å; L56-R60 PolarHBondContact O-N 3.15Å
57L96.9Very high97.2Very high13 Ų1377 Ų777%0.06837%0.365CS..Hα-helixtrans-63.9-37.9179.2-69.3178.3000112.6Y29 Y36 N51 Q53 K54 R61Y29-L57 HydrophobicContact CE2-CD2 4.2Å; Y36-L57 HydrophobicContact CD2-CD2 3.81Å; Y36-L57 HydrophobicContact CE2-CD2 3.89Å; N51-L57 WeakPolarHBondContact O-CD1 3.02Å; Q53-L57 PolarHBondContact O-N 3.39Å; K54-L57 PolarHBondContact O-N 3.47Å; L57-R61 WeakPolarHBondContact O-CG 3.4Å; L57-R61 PolarHBondContact O-N 2.93Å; L57-R61 PolarHBondContact O-NE 3.48Å; L57-R61 VanDerWaalsContact O-NE 3.16Å
58E96.3Very high97.2Very high123 Ų12376.7 Ų76.758%0.57536%0.363SS*.Hα-helixtrans-63.7-46.9173.7-75.5179.8178.500111.6K54 D55 L56 R60 R61 A62K54-E58 WeakPolarHBondContact O-CG 3.39Å; K54-E58 PolarHBondContact O-N 3.06Å; D55-E58 PolarHBondContact O-N 2.64Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 3.05Å; E58-R60 VanDerWaalsContact C-N 3.35Å; E58-R60 PolarHBondContact O-N 3.36Å; E58-R61 VanDerWaalsContact CG-NH2 3.3Å; E58-R61 PolarHBondContact O-N 3.27Å; E58-A62 PolarHBondContact O-N 2.82Å
59R96.3Very high97.2Very high170 Ų17074 Ų7464%0.64235%0.347SS*.Hα-helixtrans-58.8-45.4175.6-178178.3173.6169.53.3111.7D55 L56 R61 A62 E63D55-R59 WeakPolarHBondContact O-CB 3.48Å; D55-R59 PolarHBondContact O-N 3.36Å; L56-R59 PolarHBondContact O-N 2.67Å; R59-R61 PolarHBondContact O-N 2.91Å; R59-A62 PolarHBondContact O-N 2.89Å; R59-E63 IonicContact NE-OE1 3.75Å; R59-E63 WeakPolarHBondContact O-CG 3.25Å; R59-E63 PolarHBondContact O-N 2.95Å; R59-E63 VanDerWaalsContact O-N 3.12Å
60R96.6Very high97.2Very high43 Ų4374.9 Ų74.916%0.16235%0.351CS..Hα-helixtrans-64-36.9178.7-70.1-51.8-171.9-149.6-5.6113.4Y29 Y36 L56 E58 A62 E63Y29-R60 HydrophobicContact CD1-CB 4.15Å; Y29-R60 HydrophobicContact CD2-CB 4.25Å; Y29-R60 HydrophobicContact CD2-CG 4.44Å; Y29-R60 HydrophobicContact CE1-CB 3.64Å; Y29-R60 HydrophobicContact CE1-CG 4.47Å; Y29-R60 HydrophobicContact CE2-CB 3.74Å; Y29-R60 HydrophobicContact CE2-CG 4.38Å; Y29-R60 HydrophobicContact CG-CB 4.44Å; Y29-R60 VanDerWaalsContact CZ-CB 3.41Å; Y36-R60 HydrophobicContact CE2-CG 4.31Å; Y36-R60 VanDerWaalsContact OH-CG 3.3Å; Y36-R60 WeakPolarHBondContact OH-CG 3.28Å; Y36-R60 PolarHBondContact OH-NE 3.17Å; L56-R60 HydrophobicContact CD1-CG 4.36Å; L56-R60 WeakPolarHBondContact O-CG 3.29Å; L56-R60 PolarHBondContact O-N 3.15Å; E58-R60 VanDerWaalsContact C-N 3.35Å; E58-R60 PolarHBondContact O-N 3.36Å; R60-A62 VanDerWaalsContact C-N 3.34Å; R60-E63 WeakPolarHBondContact CD-OE2 3.4Å; R60-E63 IonicContact CZ-OE1 3.81Å; R60-E63 IonicContact CZ-OE2 3.9Å; R60-E63 IonicContact NE-OE2 2.82Å; R60-E63 VanDerWaalsContact NH1-CD 3.28Å; R60-E63 IonicContact NH1-OE1 2.7Å; R60-E63 PolarHBondContact NH1-OE1 2.79Å; R60-E63 IonicContact NH1-OE2 3.45Å; R60-E63 PolarHBondContact NH1-OE2 3.45Å; R60-E63 PolarHBondContact O-N 2.87Å
61R95.4Very high97.1Very high123 Ų12375.8 Ų75.846%0.46436%0.358SS..Hα-helixtrans-63.7-41.2172.8-76179-79.8166.5-2.2111.3Y29 L57 E58 R59 E63Y29-R61 VanDerWaalsContact OH-CG 3.24Å; Y29-R61 WeakPolarHBondContact OH-CG 3.45Å; Y29-R61 PolarHBondContact OH-N 3.03Å; L57-R61 WeakPolarHBondContact O-CG 3.4Å; L57-R61 PolarHBondContact O-N 2.93Å; L57-R61 PolarHBondContact O-NE 3.48Å; L57-R61 VanDerWaalsContact O-NE 3.16Å; E58-R61 VanDerWaalsContact CG-NH2 3.3Å; E58-R61 PolarHBondContact O-N 3.27Å; R59-R61 PolarHBondContact O-N 2.91Å; R61-E63 VanDerWaalsContact C-N 3.28Å; R61-E63 PolarHBondContact O-N 3.08Å
62A96.7Very high97.1Very high42 Ų4275.4 Ų75.435%0.34735%0.354SS..Hα-helixtrans-69-20.3178.100000114.2E58 R59 R60 V64 D65 T66E58-A62 PolarHBondContact O-N 2.82Å; R59-A62 PolarHBondContact O-N 2.89Å; R60-A62 VanDerWaalsContact C-N 3.34Å; A62-V64 PolarHBondContact O-N 2.83Å; A62-D65 PolarHBondContact O-N 2.76Å; A62-T66 HydrophobicContact CB-CG2 4.48Å; A62-T66 WeakPolarHBondContact O-CB 3.34Å; A62-T66 WeakPolarHBondContact O-CG2 3.37Å; A62-T66 PolarHBondContact O-N 2.82Å; A62-T66 PolarHBondContact O-OG1 2.89Å
63E97.2Very high97.1Very high26 Ų2674.3 Ų74.312%0.12136%0.355CS..Hα-helixtrans-65.7-18.3179.1-78.3173.7-179.800113.5R59 R60 R61 D65 T66 Y67 C68R59-E63 IonicContact NE-OE1 3.75Å; R59-E63 WeakPolarHBondContact O-CG 3.25Å; R59-E63 PolarHBondContact O-N 2.95Å; R59-E63 VanDerWaalsContact O-N 3.12Å; R60-E63 WeakPolarHBondContact CD-OE2 3.4Å; R60-E63 IonicContact CZ-OE1 3.81Å; R60-E63 IonicContact CZ-OE2 3.9Å; R60-E63 IonicContact NE-OE2 2.82Å; R60-E63 VanDerWaalsContact NH1-CD 3.28Å; R60-E63 IonicContact NH1-OE1 2.7Å; R60-E63 PolarHBondContact NH1-OE1 2.79Å; R60-E63 IonicContact NH1-OE2 3.45Å; R60-E63 PolarHBondContact NH1-OE2 3.45Å; R60-E63 PolarHBondContact O-N 2.87Å; R61-E63 VanDerWaalsContact C-N 3.28Å; R61-E63 PolarHBondContact O-N 3.08Å; E63-D65 VanDerWaalsContact C-N 3.32Å; E63-D65 PolarHBondContact O-N 3.37Å; E63-T66 WeakPolarHBondContact CA-OG1 3.45Å; E63-Y67 WeakPolarHBondContact O-CA 3.24Å; E63-Y67 VanDerWaalsContact O-CB 3.26Å; E63-Y67 WeakPolarHBondContact O-CB 3.32Å; E63-Y67 PolarHBondContact O-N 2.82Å; E63-Y67 VanDerWaalsContact O-N 3.11Å; E63-C68 PolarHBondContact O-N 2.85Å
64V97.5Very high97Very high14 Ų1475 Ų759%0.08536%0.363CS..Iπ-helixtrans-62.3-43.9171.9-171.10000110.3V13 N15 S31 A62 C68 R69V13-V64 HydrophobicContact CB-CG1 3.85Å; V13-V64 HydrophobicContact CG1-CG1 3.82Å; V13-V64 WeakPolarHBondContact O-CG1 2.97Å; N15-V64 HydrophobicContact CB-CG2 4.15Å; S31-V64 VanDerWaalsContact CB-CG2 3.5Å; A62-V64 PolarHBondContact O-N 2.83Å; V64-C68 VanDerWaalsContact O-CB 3.28Å; V64-C68 WeakPolarHBondContact O-CB 3.38Å; V64-C68 PolarHBondContact O-N 3.05Å; V64-R69 VanDerWaalsContact CG1-NH1 3.26Å; V64-R69 PolarHBondContact O-N 3.38Å
65D97.8Very high97Very high90 Ų9070.5 Ų70.548%0.48135%0.347SS..Iπ-helixtrans-84.2-54.7178.9-69.7-62000112.3A62 E63 Y67 R69 Y70A62-D65 PolarHBondContact O-N 2.76Å; E63-D65 VanDerWaalsContact C-N 3.32Å; E63-D65 PolarHBondContact O-N 3.37Å; D65-Y67 VanDerWaalsContact C-N 3.28Å; D65-Y67 PolarHBondContact O-N 2.88Å; D65-R69 VanDerWaalsContact CG-NH1 3.27Å; D65-R69 WeakPolarHBondContact OD1-CD 3.35Å; D65-R69 IonicContact OD1-CZ 2.81Å; D65-R69 IonicContact OD1-NE 2.86Å; D65-R69 IonicContact OD1-NH1 3.89Å; D65-R69 PolarHBondContact OD1-NH1 2.79Å; D65-R69 IonicContact OD2-NH1 3.2Å; D65-Y70 PolarHBondContact O-N 2.82Å
66T97.2Very high97Very high92 Ų9268 Ų6856%0.56433%0.332SS*.Iπ-helixtrans-71.5-22.9-170.558.60000113.3A62 E63 Y70A62-T66 HydrophobicContact CB-CG2 4.48Å; A62-T66 WeakPolarHBondContact O-CB 3.34Å; A62-T66 WeakPolarHBondContact O-CG2 3.37Å; A62-T66 PolarHBondContact O-N 2.82Å; A62-T66 PolarHBondContact O-OG1 2.89Å; E63-T66 WeakPolarHBondContact CA-OG1 3.45Å; T66-Y70 VanDerWaalsContact O-CB 3.27Å; T66-Y70 WeakPolarHBondContact O-CB 3.4Å
67Y96.3Very high96.9Very high117 Ų11769.9 Ų69.946%0.45935%0.348SS..Iπ-helixtrans-114.6-59.7178-177.4-97.2000111.8E63 D65 N71E63-Y67 WeakPolarHBondContact O-CA 3.24Å; E63-Y67 VanDerWaalsContact O-CB 3.26Å; E63-Y67 WeakPolarHBondContact O-CB 3.32Å; E63-Y67 PolarHBondContact O-N 2.82Å; E63-Y67 VanDerWaalsContact O-N 3.11Å; D65-Y67 VanDerWaalsContact C-N 3.28Å; D65-Y67 PolarHBondContact O-N 2.88Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.27Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.39Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.38Å; Y67-N71 VanDerWaalsContact O-CB 3.26Å; Y67-N71 WeakPolarHBondContact O-CB 3.39Å; Y67-N71 PolarHBondContact O-N 3.09Å; Y67-N71 PolarHBondContact O-ND2 3.02Å
68C97.7Very high96.8Very high1 Ų174.7 Ų74.71%0.00737%0.368CS..Iπ-helixtrans-68-57.3-173.1-62.20000112.7C4 F6 V13 N15 E63 V64 N71 Y72C4-C68 HydrophobicContact CB-CB 3.59Å; C4-C68 WeakPolarHBondContact CB-SG 3.36Å; C4-C68 WeakPolarHBondContact SG-CA 3.15Å; C4-C68 WeakPolarHBondContact SG-CB 3.42Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 2.77Å; F6-C68 HydrophobicContact CE1-CB 4.27Å; F6-C68 HydrophobicContact CZ-CB 4.06Å; F6-C68 WeakPolarHBondContact CZ-O 3.34Å; V13-C68 HydrophobicContact CG1-CB 3.67Å; N15-C68 PolarHBondContact ND2-SG 2.82Å; E63-C68 PolarHBondContact O-N 2.85Å; V64-C68 VanDerWaalsContact O-CB 3.28Å; V64-C68 WeakPolarHBondContact O-CB 3.38Å; V64-C68 PolarHBondContact O-N 3.05Å; C68-N71 PolarHBondContact O-N 3.25Å; C68-Y72 WeakPolarHBondContact O-CB 3.26Å; C68-Y72 PolarHBondContact O-N 3.33Å
69R98.1Very high96.8Very high71 Ų7169.9 Ų69.927%0.26835%0.348SS..Iπ-helixtrans-65.3-41.3179.8-67.7-170.6-17787.25.5112.1T10 V13 V64 D65 Y72 G73T10-R69 PolarHBondContact O-NE 3.23Å; V13-R69 HydrophobicContact CG2-CG 4.06Å; V64-R69 VanDerWaalsContact CG1-NH1 3.26Å; V64-R69 PolarHBondContact O-N 3.38Å; D65-R69 VanDerWaalsContact CG-NH1 3.27Å; D65-R69 WeakPolarHBondContact OD1-CD 3.35Å; D65-R69 IonicContact OD1-CZ 2.81Å; D65-R69 IonicContact OD1-NE 2.86Å; D65-R69 IonicContact OD1-NH1 3.89Å; D65-R69 PolarHBondContact OD1-NH1 2.79Å; D65-R69 IonicContact OD2-NH1 3.2Å; R69-Y72 PolarHBondContact O-N 3.03Å; R69-G73 PolarHBondContact O-N 2.97Å
70Y97.3Very high96.8Very high152 Ų15264.8 Ų64.860%0.59634%0.335SS*.Hα-helixtrans-55.6-55.9175.1176.8-98.5000111.9D65 T66 Y72 G73 V74D65-Y70 PolarHBondContact O-N 2.82Å; T66-Y70 VanDerWaalsContact O-CB 3.27Å; T66-Y70 WeakPolarHBondContact O-CB 3.4Å; Y70-Y72 VanDerWaalsContact C-N 3.34Å; Y70-Y72 PolarHBondContact O-N 3.03Å; Y70-G73 PolarHBondContact O-N 2.82Å; Y70-V74 HydrophobicContact CD1-CG2 4.4Å; Y70-V74 HydrophobicContact CE1-CG2 3.98Å; Y70-V74 HydrophobicContact CE2-CG2 4.28Å; Y70-V74 WeakPolarHBondContact O-CG2 3.42Å; Y70-V74 PolarHBondContact O-N 2.96Å; Y70-V74 VanDerWaalsContact O-N 3.09Å
71N97.5Very high96.8Very high57 Ų5768 Ų6831%0.30535%0.352SS..Hα-helixtrans-65.6-38.4-178.8-76.8-68.9000111.8Y67 C68 G73 V74 V75Y67-N71 VanDerWaalsContact CD2-ND2 3.27Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.39Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.38Å; Y67-N71 VanDerWaalsContact O-CB 3.26Å; Y67-N71 WeakPolarHBondContact O-CB 3.39Å; Y67-N71 PolarHBondContact O-N 3.09Å; Y67-N71 PolarHBondContact O-ND2 3.02Å; C68-N71 PolarHBondContact O-N 3.25Å; N71-G73 VanDerWaalsContact C-N 3.32Å; N71-G73 PolarHBondContact O-N 2.84Å; N71-V74 PolarHBondContact O-N 2.79Å; N71-V74 VanDerWaalsContact O-N 3.17Å; N71-V75 VanDerWaalsContact O-CG2 3.28Å; N71-V75 WeakPolarHBondContact O-CG2 3.19Å; N71-V75 PolarHBondContact O-N 2.89Å
72Y97.6Very high96.9Very high29 Ų2966.5 Ų66.511%0.11435%0.346CS..Hα-helixtrans-52.6-52.3173.3-177.2-78.5000110.4F6 T10 C68 R69 Y70 V74 V75 E76 V80F6-Y72 HydrophobicContact CB-CE2 4.38Å; F6-Y72 AromaticContact CD1-CD2 3.5Å; F6-Y72 HydrophobicContact CD1-CD2 3.5Å; F6-Y72 HydrophobicContact CD1-CE2 4.08Å; F6-Y72 HydrophobicContact CD1-CG 4.15Å; F6-Y72 HydrophobicContact CD2-CD2 4.05Å; F6-Y72 AromaticContact CE1-CD2 3.56Å; F6-Y72 HydrophobicContact CE1-CD2 3.56Å; F6-Y72 AromaticContact CE1-CG 3.87Å; F6-Y72 HydrophobicContact CE1-CG 3.87Å; F6-Y72 HydrophobicContact CE2-CD2 4.09Å; F6-Y72 AromaticContact CG-CD2 3.77Å; F6-Y72 HydrophobicContact CG-CD2 3.77Å; F6-Y72 HydrophobicContact CG-CE2 4.1Å; F6-Y72 AromaticContact CZ-CD2 3.86Å; F6-Y72 HydrophobicContact CZ-CD2 3.86Å; F6-Y72 HydrophobicContact CZ-CG 4.28Å; T10-Y72 HydrophobicContact CG2-CD1 3.35Å; T10-Y72 HydrophobicContact CG2-CD2 4.33Å; T10-Y72 HydrophobicContact CG2-CE1 3.68Å; T10-Y72 HydrophobicContact CG2-CG 3.73Å; C68-Y72 WeakPolarHBondContact O-CB 3.26Å; C68-Y72 PolarHBondContact O-N 3.33Å; R69-Y72 PolarHBondContact O-N 3.03Å; Y70-Y72 VanDerWaalsContact C-N 3.34Å; Y70-Y72 PolarHBondContact O-N 3.03Å; Y72-V74 VanDerWaalsContact C-N 3.31Å; Y72-V74 PolarHBondContact O-N 2.02Å; Y72-V75 PolarHBondContact O-N 2.88Å; Y72-E76 HydrophobicContact CD1-CB 4.37Å; Y72-E76 HydrophobicContact CD1-CG 4.45Å; Y72-E76 HydrophobicContact CE1-CB 4.18Å; Y72-E76 VanDerWaalsContact CE1-CD 3.43Å; Y72-E76 HydrophobicContact CE1-CG 3.78Å; Y72-E76 VanDerWaalsContact CE1-OE1 3.26Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.16Å; Y72-E76 WeakPolarHBondContact O-CA 3.38Å; Y72-E76 VanDerWaalsContact O-CB 3.23Å; Y72-E76 WeakPolarHBondContact O-CB 3.12Å; Y72-E76 PolarHBondContact O-N 2.94Å; Y72-E76 PolarHBondContact OH-OE1 2.89Å; Y72-E76 VanDerWaalsContact OH-OE1 3.13Å; Y72-V80 HydrophobicContact CE2-CG2 3.76Å
73G96.9Very high96.9Very high50 Ų5070.1 Ų70.152%0.51535%0.351SS..Hα-helixtrans-62.5-34.3179.500000114R69 Y70 N71R69-G73 PolarHBondContact O-N 2.97Å; Y70-G73 PolarHBondContact O-N 2.82Å; N71-G73 VanDerWaalsContact C-N 3.32Å; N71-G73 PolarHBondContact O-N 2.84Å
74V97.2Very high97Very high76 Ų7670.9 Ų70.946%0.46136%0.357SS..Hα-helixtrans-68.8-39.5176.7173.30000111.7Y70 N71 Y72Y70-V74 HydrophobicContact CD1-CG2 4.4Å; Y70-V74 HydrophobicContact CE1-CG2 3.98Å; Y70-V74 HydrophobicContact CE2-CG2 4.28Å; Y70-V74 WeakPolarHBondContact O-CG2 3.42Å; Y70-V74 PolarHBondContact O-N 2.96Å; Y70-V74 VanDerWaalsContact O-N 3.09Å; N71-V74 PolarHBondContact O-N 2.79Å; N71-V74 VanDerWaalsContact O-N 3.17Å; Y72-V74 VanDerWaalsContact C-N 3.31Å; Y72-V74 PolarHBondContact O-N 2.02Å
75V96.6Very high97Very high44 Ų4476.5 Ų76.527%0.26738%0.383SS..Hα-helixtrans-103.9-5.3-171.1-48.30000114.8N71 Y72 S77 F78 T79N71-V75 VanDerWaalsContact O-CG2 3.28Å; N71-V75 WeakPolarHBondContact O-CG2 3.19Å; N71-V75 PolarHBondContact O-N 2.89Å; Y72-V75 PolarHBondContact O-N 2.88Å; V75-S77 VanDerWaalsContact C-N 3.29Å; V75-S77 PolarHBondContact O-N 3Å; V75-F78 HydrophobicContact CB-CE1 3.97Å; V75-F78 HydrophobicContact CB-CE2 3.7Å; V75-F78 HydrophobicContact CB-CZ 3.4Å; V75-F78 VanDerWaalsContact CB-CZ 3.4Å; V75-F78 HydrophobicContact CG1-CE1 4.24Å; V75-F78 HydrophobicContact CG1-CE2 4.06Å; V75-F78 HydrophobicContact CG1-CZ 3.48Å; V75-F78 VanDerWaalsContact CG1-CZ 3.48Å; V75-F78 PolarHBondContact O-N 2.92Å; V75-T79 HydrophobicContact CB-CG2 4.2Å; V75-T79 HydrophobicContact CG2-CG2 4.1Å; V75-T79 WeakPolarHBondContact O-CB 3.37Å; V75-T79 PolarHBondContact O-N 2.88Å; V75-T79 VanDerWaalsContact O-N 3.08Å; V75-T79 PolarHBondContact O-OG1 3.43Å
76E96.6Very high97Very high58 Ų5872.7 Ų72.727%0.27136%0.363SS..Hα-helixtrans-54.3-44.6-172.7-171.5179.1-153.300112.5Y72 F78 T79 V80 Q81Y72-E76 HydrophobicContact CD1-CB 4.37Å; Y72-E76 HydrophobicContact CD1-CG 4.45Å; Y72-E76 HydrophobicContact CE1-CB 4.18Å; Y72-E76 VanDerWaalsContact CE1-CD 3.43Å; Y72-E76 HydrophobicContact CE1-CG 3.78Å; Y72-E76 VanDerWaalsContact CE1-OE1 3.26Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.16Å; Y72-E76 WeakPolarHBondContact O-CA 3.38Å; Y72-E76 VanDerWaalsContact O-CB 3.23Å; Y72-E76 WeakPolarHBondContact O-CB 3.12Å; Y72-E76 PolarHBondContact O-N 2.94Å; Y72-E76 PolarHBondContact OH-OE1 2.89Å; Y72-E76 VanDerWaalsContact OH-OE1 3.13Å; E76-F78 VanDerWaalsContact C-N 3.26Å; E76-F78 PolarHBondContact O-N 2.75Å; E76-T79 PolarHBondContact O-N 2.94Å; E76-V80 HydrophobicContact CG-CB 3.87Å; E76-V80 HydrophobicContact CG-CG1 4.49Å; E76-V80 HydrophobicContact CG-CG2 4.23Å; E76-V80 PolarHBondContact O-N 3.3Å; E76-Q81 HydrophobicContact CG-CG 4.16Å; E76-Q81 PolarHBondContact O-N 2.86Å
77S95.6Very high97.1Very high77 Ų7775.7 Ų75.754%0.53837%0.368SS..Hα-helixtrans-59.5-34.5-174.8600000113.2V75V75-S77 VanDerWaalsContact C-N 3.29Å; V75-S77 PolarHBondContact O-N 3Å
78F94.8Very high97.2Very high113 Ų11371 Ų7150%0.49635%0.352SS..Hα-helixtrans-108.81.9-17860.3-97.2000114.3V75 E76 R82V75-F78 HydrophobicContact CB-CE1 3.97Å; V75-F78 HydrophobicContact CB-CE2 3.7Å; V75-F78 HydrophobicContact CB-CZ 3.4Å; V75-F78 VanDerWaalsContact CB-CZ 3.4Å; V75-F78 HydrophobicContact CG1-CE1 4.24Å; V75-F78 HydrophobicContact CG1-CE2 4.06Å; V75-F78 HydrophobicContact CG1-CZ 3.48Å; V75-F78 VanDerWaalsContact CG1-CZ 3.48Å; V75-F78 PolarHBondContact O-N 2.92Å; E76-F78 VanDerWaalsContact C-N 3.26Å; E76-F78 PolarHBondContact O-N 2.75Å; F78-R82 WeakPolarHBondContact O-CB 3.29Å; F78-R82 WeakPolarHBondContact O-CD 3.46Å
79T96.1Very high97.2Very high23 Ų2373.6 Ų73.614%0.14137%0.368CS..Hα-helixtrans-118.4-64.5176.356.70000112.3V75 E76 Y112 W142V75-T79 HydrophobicContact CB-CG2 4.2Å; V75-T79 HydrophobicContact CG2-CG2 4.1Å; V75-T79 WeakPolarHBondContact O-CB 3.37Å; V75-T79 PolarHBondContact O-N 2.88Å; V75-T79 VanDerWaalsContact O-N 3.08Å; V75-T79 PolarHBondContact O-OG1 3.43Å; E76-T79 PolarHBondContact O-N 2.94Å; T79-Y112 VanDerWaalsContact O-CE1 3.23Å; T79-Y112 WeakPolarHBondContact O-CE1 3.19Å; T79-Y112 PolarHBondContact O-OH 2.61Å; T79-W142 HydrophobicContact CG2-CH2 4.03Å; T79-W142 HydrophobicContact CG2-CZ3 3.99Å
80V95.9Very high97.1Very high63 Ų6371.3 Ų71.338%0.38236%0.361SS..THydrogen-bonded Turntrans-77.2-43.6-175.5-179.80000111.3Y72 E76 R82 R83Y72-V80 HydrophobicContact CE2-CG2 3.76Å; E76-V80 HydrophobicContact CG-CB 3.87Å; E76-V80 HydrophobicContact CG-CG1 4.49Å; E76-V80 HydrophobicContact CG-CG2 4.23Å; E76-V80 PolarHBondContact O-N 3.3Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R83 PolarHBondContact O-NH1 2.98Å
81Q96.1Very high96.8Very high110 Ų11068.8 Ų68.851%0.51435%0.352SS..SBendtrans-85.1-8.8-179.4-65.7175.77.800112.7E76 R83E76-Q81 HydrophobicContact CG-CG 4.16Å; E76-Q81 PolarHBondContact O-N 2.86Å; Q81-R83 PolarHBondContact O-N 2.84Å
82R97.5Very high96.5Very high91 Ų9167.8 Ų67.834%0.34335%0.348SS..  trans-57.6130.8178-179.4-177.7-178.888.3-0.8110.4F78 V80 V84 Y112F78-R82 WeakPolarHBondContact O-CB 3.29Å; F78-R82 WeakPolarHBondContact O-CD 3.46Å; V80-R82 VanDerWaalsContact C-N 3.32Å; R82-V84 HydrophobicContact CG-CG2 4.37Å; R82-Y112 HydrophobicContact CB-CD1 3.88Å; R82-Y112 HydrophobicContact CB-CE1 3.73Å; R82-Y112 HydrophobicContact CG-CD1 3.71Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.43Å; R82-Y112 VanDerWaalsContact O-CD1 3.32Å; R82-Y112 WeakPolarHBondContact O-CD1 3.27Å
83R98Very high95.9Very high118 Ų11869.8 Ų69.845%0.44537%0.366SS..  trans-133.6127.6175.9-65-61.1177.4-91-2.8109V80 Q81 Y112V80-R83 PolarHBondContact O-NH1 2.98Å; Q81-R83 PolarHBondContact O-N 2.84Å; R83-Y112 CarbonylContact C-O 3.53Å; R83-Y112 WeakPolarHBondContact CA-O 3.35Å
84V98.3Very high94.9Very high42 Ų4273.7 Ų73.726%0.25537%0.369SS..BIsolated β-bridgetrans-129.7126.3175-172.60000108.1R82 G110 F111 Y112 H166R82-V84 HydrophobicContact CG-CG2 4.37Å; V84-G110 WeakPolarHBondContact CG1-O 3.25Å; V84-F111 WeakPolarHBondContact O-CA 3.37Å; V84-Y112 PolarHBondContact N-O 2.96Å; V84-Y112 PolarHBondContact O-N 2.84Å; V84-Y112 VanDerWaalsContact O-N 3.15Å; V84-H166 PolarHBondContact O-CE1 2.8Å
85Q98.3Very high93.3Very high133 Ų13377 Ų7762%0.62139%0.39SS*.PPolyproline II helixtrans-71.9140.6-176.7-66.5-179.81500112S168 M169Q85-S168 VanDerWaalsContact CA-OG 3.27Å; Q85-S168 WeakPolarHBondContact CA-OG 3.01Å; Q85-S168 WeakPolarHBondContact CG-OG 3.44Å; Q85-M169 HydrophobicContact CG-CG 4.06Å
86P98.4Very high91.6Very high10 Ų1082.1 Ų82.17%0.06541%0.411CS..PPolyproline II helixtrans-69.5142.5174.526.3-31.6000111.7V88 V108 F111 V164 H166 M169P86-V88 HydrophobicContact CB-CG2 4.29Å; P86-V108 HydrophobicContact CB-CG1 3.54Å; P86-V108 HydrophobicContact CG-CG1 4.46Å; P86-F111 HydrophobicContact CB-CB 3.82Å; P86-F111 HydrophobicContact CB-CD1 4.19Å; P86-F111 HydrophobicContact CB-CG 4.3Å; P86-F111 HydrophobicContact CG-CB 4.47Å; P86-V164 HydrophobicContact CG-CG1 3.98Å; P86-H166 HydrophobicContact CG-CB 4.34Å; P86-M169 HydrophobicContact CG-CE 3.65Å; P86-M169 HydrophobicContact CG-SD 4.2Å
87K98.2Very high89.6Confident154 Ų15483.4 Ų83.467%0.6742%0.424SS*.EExtended strand (participates in β ladder)trans-92.2121.3160.6-174.6177.2-179.7179.50108.7N109K87-N109 PolarHBondContact N-O 2.84Å; K87-N109 PolarHBondContact O-N 2.84Å
88V98.4Very high87.9Confident18 Ų1883.3 Ų83.311%0.10942%0.417CS..EExtended strand (participates in β ladder)trans-111.2129.7-176.9-176.10000110.3P86 S107 V108 V164 L173 V175P86-V88 HydrophobicContact CB-CG2 4.29Å; V88-S107 WeakPolarHBondContact CA-O 3.38Å; V88-V108 HydrophobicContact CG1-CG2 4.47Å; V88-V108 HydrophobicContact CG2-CG1 4.17Å; V88-V108 HydrophobicContact CG2-CG2 4.29Å; V88-V164 HydrophobicContact CG1-CG2 4.2Å; V88-V164 HydrophobicContact CG2-CB 4.21Å; V88-V164 HydrophobicContact CG2-CG1 4.48Å; V88-V164 HydrophobicContact CG2-CG2 3.7Å; V88-L173 HydrophobicContact CB-CD2 4.03Å; V88-L173 HydrophobicContact CG2-CD2 3.53Å; V88-L173 HydrophobicContact CG2-CG 4.36Å; V88-V175 HydrophobicContact CB-CG2 3.83Å; V88-V175 HydrophobicContact CG1-CB 4.11Å; V88-V175 HydrophobicContact CG1-CG2 3.62Å
89T97.1Very high86Confident57 Ų5785.6 Ų85.635%0.3543%0.43SS..EExtended strand (participates in β ladder)trans-131.8139.3171.556.70000110.3S107T89-S107 PolarHBondContact N-O 3.44Å; T89-S107 PolarHBondContact O-N 3.02Å
90V96Very high84.4Confident22 Ų2291.4 Ų91.413%0.13346%0.455CS..EExtended strand (participates in β ladder)trans-117.3126.3176.41800000109.7V105 C106 W120 C162 V175 W177V90-V105 VanDerWaalsContact CA-O 3.3Å; V90-V105 WeakPolarHBondContact CA-O 3.34Å; V90-C106 HydrophobicContact CG2-CB 4.34Å; V90-W120 HydrophobicContact CG1-CH2 3.63Å; V90-W120 HydrophobicContact CG1-CZ3 4.2Å; V90-W120 HydrophobicContact CG2-CH2 4.38Å; V90-C162 HydrophobicContact CG2-CB 3.64Å; V90-V175 HydrophobicContact CB-CG1 4.07Å; V90-V175 HydrophobicContact CG2-CB 3.92Å; V90-V175 HydrophobicContact CG2-CG1 3.67Å; V90-W177 HydrophobicContact CB-CB 4.18Å; V90-W177 HydrophobicContact CG1-CB 3.47Å; V90-W177 VanDerWaalsContact CG1-CB 3.47Å; V90-W177 HydrophobicContact CG1-CG 3.93Å
91Y91.3Very high82.9Confident100 Ų10094.9 Ų94.939%0.39247%0.466SS..EExtended strand (participates in β ladder)trans-153152.5-179.359.2-86.5000111.5V105Y91-V105 HydrophobicContact CD2-CB 4.28Å; Y91-V105 HydrophobicContact CE1-CB 4.21Å; Y91-V105 HydrophobicContact CE1-CG1 4.11Å; Y91-V105 HydrophobicContact CE2-CB 3.9Å; Y91-V105 HydrophobicContact CE2-CG1 4.24Å; Y91-V105 HydrophobicContact CE2-CG2 4.09Å; Y91-V105 PolarHBondContact N-O 2.6Å; Y91-V105 PolarHBondContact O-N 3.46Å
92P90.7Very high81.9Confident35 Ų3590.2 Ų90.223%0.22745%0.445CS..EExtended strand (participates in β ladder)trans-74.5139.9171.132.2-33.8000110.3K94 N102 L104 W177P92-K94 VanDerWaalsContact C-N 3.26Å; P92-K94 PolarHBondContact O-N 2.79Å; P92-N102 WeakPolarHBondContact CB-ND2 3.29Å; P92-L104 HydrophobicContact CB-CD2 4.09Å; P92-W177 HydrophobicContact CB-CZ2 4.43Å; P92-W177 HydrophobicContact CG-CZ2 4.27Å
93S85.8Confident81.5Confident71 Ų7188.6 Ų88.650%0.49744%0.443SS..SBendtrans-62.4-34.4176.7174.70000112.2L103S93-L103 WeakPolarHBondContact CB-O 3.43Å; S93-L103 PolarHBondContact N-O 2.85Å
94K76.3Confident81.2Confident132 Ų13283 Ų8357%0.57442%0.422SS*.  trans-117.9138.7175.6-62.6-179.1-176.1175.90110.5P92 N102P92-K94 VanDerWaalsContact C-N 3.26Å; P92-K94 PolarHBondContact O-N 2.79Å; K94-N102 PolarHBondContact O-ND2 3.48Å
95T63.4Low81.1Confident147 Ų14781.4 Ų81.490%0.90241%0.412SS*.  trans-86.4-5.6175.944.70000113.9
96Q60Low81.1Confident150 Ų15075 Ų7570%0.70138%0.383SS*.SBendtrans-80.3164.5-177-88.31730.800113.6
97P55.4Low81.1Confident85 Ų8575 Ų7555%0.55238%0.382SS*.  trans-56.5145.9-163.4-24.232.3000114.5Q99P97-Q99 PolarHBondContact O-N 3.14Å
98L60.3Low81.1Confident76 Ų7667.6 Ų67.640%0.39835%0.35SS..THydrogen-bonded Turntrans-60.822.7-175.4-64.9159000116.1V153 P154 A179L98-V153 WeakPolarHBondContact O-CG1 3.39Å; L98-P154 HydrophobicContact CD2-CB 3.96Å; L98-P154 HydrophobicContact CD2-CG 4.18Å; L98-A179 HydrophobicContact CD1-CB 4.27Å; L98-A179 HydrophobicContact CD2-CB 4.19Å
99Q54.4Low81.1Confident161 Ų16169 Ų6975%0.75236%0.357SS*.THydrogen-bonded Turntrans-96.8-13.8-172.8-68.4179.2-10.200113.8P97P97-Q99 PolarHBondContact O-N 3.14Å
100H62.1Low81.2Confident145 Ų14567.6 Ų67.667%0.67135%0.353SS*.SBendtrans-121.5161.2178-62.484.1000110.8N102H100-N102 PolarHBondContact O-N 3.32Å; H100-N102 VanDerWaalsContact O-N 3.09Å
101H64.8Low81.3Confident135 Ų13566.5 Ų66.563%0.62535%0.347SS*.  trans-45119.6170.7-70.1-93.3000109.8E151H101-E151 IonicContact CG-OE1 3.74Å; H101-E151 IonicContact ND1-OE1 3.26Å; H101-E151 PolarHBondContact ND1-OE1 2.82Å
102N76.3Confident81.6Confident12 Ų1263.5 Ų63.56%0.06434%0.335CS..EExtended strand (participates in β ladder)trans-113.6151.6177.1-159.1-4.9000108.5P92 K94 H100 T152P92-N102 WeakPolarHBondContact CB-ND2 3.29Å; K94-N102 PolarHBondContact O-ND2 3.48Å; H100-N102 PolarHBondContact O-N 3.32Å; H100-N102 VanDerWaalsContact O-N 3.09Å; N102-T152 CarbonylContact C-O 3.52Å; N102-T152 WeakPolarHBondContact CA-O 3.44Å; N102-T152 PolarHBondContact N-O 2.93Å; N102-T152 PolarHBondContact O-N 2.9Å
103L87.9Confident82Confident58 Ų5863.2 Ų63.230%0.30433%0.333SS..EExtended strand (participates in β ladder)trans-111.5107.5-178-156.3114000106.8S93 V105 M149 L150S93-L103 WeakPolarHBondContact CB-O 3.43Å; S93-L103 PolarHBondContact N-O 2.85Å; L103-V105 HydrophobicContact CD2-CG2 4.02Å; L103-M149 HydrophobicContact CD1-CB 4.46Å; L103-M149 HydrophobicContact CD2-CB 3.56Å; L103-M149 HydrophobicContact CD2-CG 3.52Å; L103-M149 HydrophobicContact CD2-SD 3.57Å; L103-M149 VanDerWaalsContact CD2-SD 3.57Å; L103-M149 HydrophobicContact CG-CB 3.97Å; L103-M149 HydrophobicContact CG-CG 4.46Å; L103-L150 WeakPolarHBondContact CA-O 3.4Å
104L92.9Very high82.6Confident0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-79.1122.7171.6-70.8179.2000108.3P92 W120 M149 L150 T152 Y160 W177P92-L104 HydrophobicContact CB-CD2 4.09Å; L104-W120 HydrophobicContact CB-CH2 3.83Å; L104-W120 HydrophobicContact CB-CZ2 4.13Å; L104-W120 WeakPolarHBondContact O-CZ2 3.11Å; L104-M149 CarbonylContact O-C 3.59Å; L104-M149 VanDerWaalsContact O-CA 3.28Å; L104-M149 WeakPolarHBondContact O-CA 3.46Å; L104-L150 HydrophobicContact CB-CB 4.43Å; L104-L150 PolarHBondContact N-O 2.81Å; L104-L150 PolarHBondContact O-N 2.83Å; L104-T152 HydrophobicContact CD1-CG2 3.86Å; L104-T152 HydrophobicContact CG-CG2 4.08Å; L104-Y160 HydrophobicContact CD1-CD1 3.7Å; L104-Y160 HydrophobicContact CD1-CD2 3.86Å; L104-Y160 HydrophobicContact CD1-CE1 4.17Å; L104-Y160 HydrophobicContact CD1-CE2 4.34Å; L104-Y160 HydrophobicContact CD1-CG 3.52Å; L104-W177 HydrophobicContact CD1-CD2 4.43Å; L104-W177 HydrophobicContact CD1-CE3 3.66Å; L104-W177 HydrophobicContact CD1-CZ3 3.79Å; L104-W177 HydrophobicContact CD2-CD2 3.74Å; L104-W177 HydrophobicContact CD2-CE3 3.65Å; L104-W177 HydrophobicContact CD2-CH2 3.79Å; L104-W177 HydrophobicContact CD2-CZ2 3.86Å; L104-W177 HydrophobicContact CD2-CZ3 3.68Å; L104-W177 HydrophobicContact CG-CE3 4.33Å; L104-W177 HydrophobicContact CG-CZ3 4.33Å
105V96Very high83.5Confident8 Ų858.4 Ų58.45%0.04832%0.319CS..EExtended strand (participates in β ladder)trans-102.9121.7-177.7-174.80000108.4V90 Y91 L103 L147 M149V90-V105 VanDerWaalsContact CA-O 3.3Å; V90-V105 WeakPolarHBondContact CA-O 3.34Å; Y91-V105 HydrophobicContact CD2-CB 4.28Å; Y91-V105 HydrophobicContact CE1-CB 4.21Å; Y91-V105 HydrophobicContact CE1-CG1 4.11Å; Y91-V105 HydrophobicContact CE2-CB 3.9Å; Y91-V105 HydrophobicContact CE2-CG1 4.24Å; Y91-V105 HydrophobicContact CE2-CG2 4.09Å; Y91-V105 PolarHBondContact N-O 2.6Å; Y91-V105 PolarHBondContact O-N 3.46Å; L103-V105 HydrophobicContact CD2-CG2 4.02Å; V105-L147 HydrophobicContact CG1-CB 4.44Å; V105-L147 HydrophobicContact CG1-CD2 4.21Å; V105-M149 HydrophobicContact CG1-CG 4.45Å; V105-M149 HydrophobicContact CG2-CG 4.34Å
106C98Very high85.2Confident0 Ų053.4 Ų53.40%029%0.286CS..EExtended strand (participates in β ladder)trans-96.5104.2161.2-175.10000108.1V90 W120 V148 C162V90-C106 HydrophobicContact CG2-CB 4.34Å; C106-W120 HydrophobicContact CB-CH2 4.16Å; C106-W120 HydrophobicContact CB-CZ2 3.54Å; C106-V148 WeakPolarHBondContact CB-O 3.25Å; C106-V148 PolarHBondContact N-O 3.33Å; C106-V148 PolarHBondContact O-N 3.34Å; C106-C162 HydrophobicContact CB-CB 3.63Å; C106-C162 WeakPolarHBondContact CB-SG 3.27Å; C106-C162 WeakPolarHBondContact SG-CB 3.25Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.24Å
107S98.2Very high87Confident8 Ų850.8 Ų50.86%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-92.4119.6176.8-177.70000109.1V88 T89 N109 L147V88-S107 WeakPolarHBondContact CA-O 3.38Å; T89-S107 PolarHBondContact N-O 3.44Å; T89-S107 PolarHBondContact O-N 3.02Å; S107-N109 PolarHBondContact OG-ND2 2.75Å; S107-N109 PolarHBondContact OG-OD1 3.36Å; S107-L147 WeakPolarHBondContact OG-CD2 3.27Å
108V98.6Very high89.1Confident0 Ų048 Ų480%026%0.256CS..EExtended strand (participates in β ladder)trans-119.2109.1-177.4-172.30000107.5P86 V88 F111 I116 V118 Q145 T146 V164P86-V108 HydrophobicContact CB-CG1 3.54Å; P86-V108 HydrophobicContact CG-CG1 4.46Å; V88-V108 HydrophobicContact CG1-CG2 4.47Å; V88-V108 HydrophobicContact CG2-CG1 4.17Å; V88-V108 HydrophobicContact CG2-CG2 4.29Å; V108-F111 HydrophobicContact CB-CE1 4.41Å; V108-F111 HydrophobicContact CG1-CD1 3.91Å; V108-F111 HydrophobicContact CG1-CE1 3.93Å; V108-F111 WeakPolarHBondContact O-CE1 3.29Å; V108-I116 HydrophobicContact CG1-CD1 3.54Å; V108-V118 HydrophobicContact CG2-CG1 4.33Å; V108-V118 HydrophobicContact CG2-CG2 4.08Å; V108-Q145 CarbonylContact O-C 3.53Å; V108-Q145 VanDerWaalsContact O-CA 3.29Å; V108-Q145 WeakPolarHBondContact O-CA 3.4Å; V108-T146 HydrophobicContact CB-CG2 4.01Å; V108-T146 PolarHBondContact N-O 2.82Å; V108-T146 PolarHBondContact O-N 3.18Å; V108-V164 HydrophobicContact CG1-CG1 4.08Å; V108-V164 HydrophobicContact CG1-CG2 4.47Å; V108-V164 HydrophobicContact CG2-CG2 3.88Å
109N98.1Very high90.9Very high48 Ų4847.4 Ų47.426%0.25725%0.248SC..EExtended strand (participates in β ladder)trans-128.6153.8-167.4-60.5-34.2000112.6K87 S107 F111 Q145K87-N109 PolarHBondContact N-O 2.84Å; K87-N109 PolarHBondContact O-N 2.84Å; S107-N109 PolarHBondContact OG-ND2 2.75Å; S107-N109 PolarHBondContact OG-OD1 3.36Å; N109-F111 PolarHBondContact O-N 3.29Å; N109-Q145 HydrophobicContact CB-CB 4.45Å; N109-Q145 VanDerWaalsContact OD1-CB 3.32Å; N109-Q145 WeakPolarHBondContact OD1-CB 3.44Å
110G98Very high93Very high26 Ų2639.8 Ų39.827%0.26821%0.212SC..EExtended strand (participates in β ladder)trans75.521.4165.700000114.5V84 F144V84-G110 WeakPolarHBondContact CG1-O 3.25Å; G110-F144 PolarHBondContact N-O 2.81Å
111F98.6Very high94.7Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-98.3159.4-176.462.9-88.4000112.9V84 P86 V108 N109 P113 I116 L136 T143 F144 T146 H166V84-F111 WeakPolarHBondContact O-CA 3.37Å; P86-F111 HydrophobicContact CB-CB 3.82Å; P86-F111 HydrophobicContact CB-CD1 4.19Å; P86-F111 HydrophobicContact CB-CG 4.3Å; P86-F111 HydrophobicContact CG-CB 4.47Å; V108-F111 HydrophobicContact CB-CE1 4.41Å; V108-F111 HydrophobicContact CG1-CD1 3.91Å; V108-F111 HydrophobicContact CG1-CE1 3.93Å; V108-F111 WeakPolarHBondContact O-CE1 3.29Å; N109-F111 PolarHBondContact O-N 3.29Å; F111-P113 WeakPolarHBondContact CD2-O 3.31Å; F111-I116 HydrophobicContact CD1-CD1 3.94Å; F111-I116 HydrophobicContact CD2-CB 4.43Å; F111-I116 HydrophobicContact CD2-CD1 3.83Å; F111-I116 HydrophobicContact CE1-CD1 3.79Å; F111-I116 HydrophobicContact CE2-CB 3.85Å; F111-I116 HydrophobicContact CE2-CD1 3.69Å; F111-I116 HydrophobicContact CE2-CG1 4.38Å; F111-I116 HydrophobicContact CE2-CG2 3.78Å; F111-I116 HydrophobicContact CG-CD1 3.96Å; F111-I116 HydrophobicContact CZ-CB 4.25Å; F111-I116 HydrophobicContact CZ-CD1 3.68Å; F111-I116 HydrophobicContact CZ-CG2 3.78Å; F111-L136 HydrophobicContact CE2-CD1 3.87Å; F111-L136 HydrophobicContact CZ-CD1 3.74Å; F111-T143 CarbonylContact O-C 3.57Å; F111-T143 WeakPolarHBondContact O-CA 3.45Å; F111-F144 WeakPolarHBondContact CD1-O 3.28Å; F111-F144 HydrophobicContact CD2-CB 4.09Å; F111-F144 HydrophobicContact CE1-CB 4.21Å; F111-F144 HydrophobicContact CE2-CB 3.67Å; F111-F144 HydrophobicContact CE2-CG 4.49Å; F111-F144 HydrophobicContact CZ-CB 3.73Å; F111-F144 PolarHBondContact N-O 2.86Å; F111-F144 PolarHBondContact O-N 2.82Å; F111-T146 HydrophobicContact CE1-CG2 4.29Å; F111-T146 HydrophobicContact CZ-CG2 4.26Å; F111-H166 AromaticContact CD2-CD2 3.83Å; F111-H166 AromaticContact CD2-NE2 3.68Å
112Y98.4Very high96.1Very high37 Ų3731.6 Ų31.615%0.14517%0.171CC..BIsolated β-bridgetrans-156.5137.2172.8-176-78.9000109.7T79 R82 R83 V84 W142 F144 H166T79-Y112 VanDerWaalsContact O-CE1 3.23Å; T79-Y112 WeakPolarHBondContact O-CE1 3.19Å; T79-Y112 PolarHBondContact O-OH 2.61Å; R82-Y112 HydrophobicContact CB-CD1 3.88Å; R82-Y112 HydrophobicContact CB-CE1 3.73Å; R82-Y112 HydrophobicContact CG-CD1 3.71Å; R82-Y112 HydrophobicContact CG-CE1 4.02Å; R82-Y112 HydrophobicContact CG-CG 4.43Å; R82-Y112 VanDerWaalsContact O-CD1 3.32Å; R82-Y112 WeakPolarHBondContact O-CD1 3.27Å; R83-Y112 CarbonylContact C-O 3.53Å; R83-Y112 WeakPolarHBondContact CA-O 3.35Å; V84-Y112 PolarHBondContact N-O 2.96Å; V84-Y112 PolarHBondContact O-N 2.84Å; V84-Y112 VanDerWaalsContact O-N 3.15Å; Y112-W142 WeakPolarHBondContact CD2-O 3.42Å; Y112-W142 HydrophobicContact CE2-CE3 4.17Å; Y112-F144 HydrophobicContact CD2-CD2 4.08Å; Y112-F144 AromaticContact CD2-CE2 3.57Å; Y112-F144 HydrophobicContact CD2-CE2 3.57Å; Y112-F144 AromaticContact CE2-CE2 3.92Å; Y112-F144 HydrophobicContact CE2-CE2 3.92Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; Y112-H166 VanDerWaalsContact C-CE1 3.48Å; Y112-H166 PolarHBondContact O-CE1 2.96Å
113P98.2Very high97Very high28 Ų2835.6 Ų35.618%0.18219%0.193CC..SBendcis-75.3-179.25.133.7-38.9000113F111 S115 H166 P167F111-P113 WeakPolarHBondContact CD2-O 3.31Å; P113-S115 VanDerWaalsContact C-N 3.25Å; P113-S115 PolarHBondContact O-N 3.24Å; P113-H166 PolarHBondContact O-NE2 3.12Å; P113-P167 HydrophobicContact CG-CG 4.4Å
114G97.7Very high97.3Very high16 Ų1635.7 Ų35.717%0.16521%0.208CC..SBendtrans-72.1-13.7-178.100000115.4I116 L136 F144G114-I116 PolarHBondContact O-N 3.32Å; G114-L136 WeakPolarHBondContact O-CD1 3.47Å; G114-F144 VanDerWaalsContact N-CE2 3.3Å
115S97.1Very high97.5Very high87 Ų8743.1 Ų43.161%0.60824%0.242SC*.  trans-71.3115.4177.8-173.30000110.2P113 H166 P167P113-S115 VanDerWaalsContact C-N 3.25Å; P113-S115 PolarHBondContact O-N 3.24Å; S115-H166 PolarHBondContact O-CD2 2.8Å; S115-H166 VanDerWaalsContact O-CD2 3.24Å; S115-P167 VanDerWaalsContact O-CD 3.29Å; S115-P167 WeakPolarHBondContact O-CD 3.02Å
116I98.3Very high97.6Very high42 Ų4246.7 Ų46.722%0.21526%0.258CS..  trans-150.1146.7-175.5-164.3164.8000110.2V108 F111 G114 V118 T146 V164 E165 H166V108-I116 HydrophobicContact CG1-CD1 3.54Å; F111-I116 HydrophobicContact CD1-CD1 3.94Å; F111-I116 HydrophobicContact CD2-CB 4.43Å; F111-I116 HydrophobicContact CD2-CD1 3.83Å; F111-I116 HydrophobicContact CE1-CD1 3.79Å; F111-I116 HydrophobicContact CE2-CB 3.85Å; F111-I116 HydrophobicContact CE2-CD1 3.69Å; F111-I116 HydrophobicContact CE2-CG1 4.38Å; F111-I116 HydrophobicContact CE2-CG2 3.78Å; F111-I116 HydrophobicContact CG-CD1 3.96Å; F111-I116 HydrophobicContact CZ-CB 4.25Å; F111-I116 HydrophobicContact CZ-CD1 3.68Å; F111-I116 HydrophobicContact CZ-CG2 3.78Å; G114-I116 PolarHBondContact O-N 3.32Å; I116-V118 HydrophobicContact CD1-CG2 4.31Å; I116-V118 HydrophobicContact CG1-CG2 4.13Å; I116-T146 HydrophobicContact CG2-CG2 4.47Å; I116-V164 HydrophobicContact CD1-CG1 3.75Å; I116-V164 HydrophobicContact CG1-CG1 4.01Å; I116-E165 WeakPolarHBondContact CG1-O 3.18Å; I116-H166 HydrophobicContact CD1-CB 4.46Å; I116-H166 HydrophobicContact CG1-CB 4.24Å
117E98.2Very high97.5Very high94 Ų9449 Ų4944%0.43927%0.269SS..EExtended strand (participates in β ladder)trans-120.8129.1171-176.1176.9169.400109.3R119 V164 E165E117-R119 HydrophobicContact CG-CG 4.26Å; E117-R119 WeakPolarHBondContact OE1-CD 3.32Å; E117-R119 IonicContact OE1-CZ 3.52Å; E117-R119 IonicContact OE1-NE 3.81Å; E117-R119 IonicContact OE1-NH1 3.8Å; E117-V164 WeakPolarHBondContact O-CA 3.23Å; E117-E165 HydrophobicContact CB-CB 4.27Å; E117-E165 PolarHBondContact N-O 3.01Å; E117-E165 PolarHBondContact O-N 3.46Å
118V98.6Very high97.4Very high28 Ų2855.6 Ų55.617%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-130.2122.8-177.6-177.80000108.6V108 I116 T146 V148 Q163 V164V108-V118 HydrophobicContact CG2-CG1 4.33Å; V108-V118 HydrophobicContact CG2-CG2 4.08Å; I116-V118 HydrophobicContact CD1-CG2 4.31Å; I116-V118 HydrophobicContact CG1-CG2 4.13Å; V118-T146 HydrophobicContact CG2-CG2 4.34Å; V118-V148 HydrophobicContact CB-CB 4.43Å; V118-V148 HydrophobicContact CB-CG2 3.73Å; V118-V148 HydrophobicContact CG1-CB 3.78Å; V118-V148 HydrophobicContact CG1-CG1 4.28Å; V118-V148 HydrophobicContact CG1-CG2 3.59Å; V118-V148 HydrophobicContact CG2-CG2 4.3Å; V118-Q163 CarbonylContact C-O 3.54Å; V118-Q163 WeakPolarHBondContact CA-O 3.48Å; V118-V164 HydrophobicContact CG1-CG2 4.21Å; V118-V164 HydrophobicContact CG2-CG1 4.38Å; V118-V164 HydrophobicContact CG2-CG2 4.22Å
119R98.4Very high97.2Very high62 Ų6259 Ų5923%0.23432%0.324CS..EExtended strand (participates in β ladder)trans-126.6143.8-175.1-65.7-174.7-72.4-173.1-7.4111.3E117 F121 E126 Q163 E165E117-R119 HydrophobicContact CG-CG 4.26Å; E117-R119 WeakPolarHBondContact OE1-CD 3.32Å; E117-R119 IonicContact OE1-CZ 3.52Å; E117-R119 IonicContact OE1-NE 3.81Å; E117-R119 IonicContact OE1-NH1 3.8Å; R119-F121 HydrophobicContact CB-CD2 4.44Å; R119-F121 HydrophobicContact CB-CE2 3.74Å; R119-F121 HydrophobicContact CB-CZ 4.48Å; R119-E126 WeakPolarHBondContact CD-OE1 3.3Å; R119-Q163 PolarHBondContact N-O 3.01Å; R119-Q163 VanDerWaalsContact NH2-OE1 3.08Å; R119-Q163 PolarHBondContact O-N 3.06Å; R119-E165 IonicContact CZ-OE1 3.43Å; R119-E165 IonicContact NH2-OE1 3.91Å; R119-E165 PolarHBondContact NH2-OE1 3.38Å
120W98.3Very high97Very high1 Ų158.4 Ų58.40%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-97.8142.1171.3-83.4106.9000110.5V90 L104 C106 E126 E127 V131 V148 L150 T161 C162V90-W120 HydrophobicContact CG1-CH2 3.63Å; V90-W120 HydrophobicContact CG1-CZ3 4.2Å; V90-W120 HydrophobicContact CG2-CH2 4.38Å; L104-W120 HydrophobicContact CB-CH2 3.83Å; L104-W120 HydrophobicContact CB-CZ2 4.13Å; L104-W120 WeakPolarHBondContact O-CZ2 3.11Å; C106-W120 HydrophobicContact CB-CH2 4.16Å; C106-W120 HydrophobicContact CB-CZ2 3.54Å; W120-E126 CarbonylContact O-C 3.58Å; W120-E126 WeakPolarHBondContact O-CA 3.42Å; W120-E127 HydrophobicContact CB-CB 4.34Å; W120-E127 PolarHBondContact O-N 3.19Å; W120-V131 HydrophobicContact CB-CG2 4.23Å; W120-V131 HydrophobicContact CG-CG2 4.4Å; W120-V148 PolarHBondContact NE1-O 2.89Å; W120-V148 VanDerWaalsContact NE1-O 3.08Å; W120-L150 HydrophobicContact CB-CD2 4.44Å; W120-L150 HydrophobicContact CD2-CB 4Å; W120-L150 HydrophobicContact CD2-CD2 4.18Å; W120-L150 HydrophobicContact CE3-CD2 4.23Å; W120-L150 HydrophobicContact CG-CB 4.07Å; W120-L150 HydrophobicContact CG-CD2 4.3Å; W120-L150 HydrophobicContact CZ2-CB 4.3Å; W120-T161 CarbonylContact C-O 3.6Å; W120-C162 HydrophobicContact CE3-CB 4.39Å; W120-C162 HydrophobicContact CH2-CB 4.37Å; W120-C162 HydrophobicContact CZ3-CB 4.22Å
121F97.9Very high96.9Very high35 Ų3559.5 Ų59.515%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-129.1143170-64.1-105.4000109.7R119 Q125 E126 Y160 T161 Q163R119-F121 HydrophobicContact CB-CD2 4.44Å; R119-F121 HydrophobicContact CB-CE2 3.74Å; R119-F121 HydrophobicContact CB-CZ 4.48Å; F121-Q125 CarbonylContact C-O 3.5Å; F121-Q125 WeakPolarHBondContact CA-O 3.42Å; F121-E126 HydrophobicContact CD1-CB 4.1Å; F121-E126 HydrophobicContact CE1-CB 3.85Å; F121-E126 HydrophobicContact CE1-CG 4.4Å; F121-E126 HydrophobicContact CZ-CB 4.33Å; F121-E126 HydrophobicContact CZ-CG 4.39Å; F121-Y160 CarbonylContact O-C 3.58Å; F121-Y160 WeakPolarHBondContact O-CA 3.46Å; F121-T161 PolarHBondContact N-O 2.88Å; F121-T161 PolarHBondContact O-N 3.13Å; F121-Q163 HydrophobicContact CD2-CB 4.09Å; F121-Q163 HydrophobicContact CE2-CB 3.72Å; F121-Q163 HydrophobicContact CE2-CG 4.41Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.26Å
122R95.3Very high96.8Very high73 Ų7363.5 Ų63.528%0.27536%0.356SS..EExtended strand (participates in β ladder)trans-120.7119.4171.8-177.7-178.3-179.5178.82.5108.5G124 Q125 E158 Y160R122-G124 PolarHBondContact O-N 3.15Å; R122-G124 VanDerWaalsContact O-N 3.09Å; R122-Q125 PolarHBondContact N-O 3.28Å; R122-Q125 PolarHBondContact O-N 2.74Å; R122-E158 IonicContact CZ-OE1 3.67Å; R122-E158 IonicContact NE-OE1 3.22Å; R122-E158 PolarHBondContact NE-OE1 2.82Å; R122-E158 IonicContact NE-OE2 3.48Å; R122-E158 IonicContact NH2-OE1 2.67Å; R122-E158 PolarHBondContact NH2-OE1 3.16Å; R122-E158 IonicContact NH2-OE2 3.58Å; R122-Y160 HydrophobicContact CB-CD1 4.39Å; R122-Y160 HydrophobicContact CB-CE1 4.34Å; R122-Y160 HydrophobicContact CG-CD1 4.34Å; R122-Y160 HydrophobicContact CG-CE1 3.93Å
123N94.2Very high96.7Very high97 Ų9764.9 Ų64.952%0.51937%0.37SS..THydrogen-bonded Turntrans50.135.6-176.9-57.4-29.9000113.1V159N123-V159 PolarHBondContact N-O 3.4Å; N123-V159 PolarHBondContact OD1-N 2.84Å
124G94.2Very high96.6Very high60 Ų6066.5 Ų66.562%0.61938%0.38SS*.THydrogen-bonded Turntrans85.9-5.3-179.800000115.9R122R122-G124 PolarHBondContact O-N 3.15Å; R122-G124 VanDerWaalsContact O-N 3.09Å
125Q97.1Very high96.6Very high155 Ų15567.4 Ų67.472%0.72439%0.39SS*.EExtended strand (participates in β ladder)trans-97.5136.2174-65.5-171.9-23.300110.8F121 R122 E127F121-Q125 CarbonylContact C-O 3.5Å; F121-Q125 WeakPolarHBondContact CA-O 3.42Å; R122-Q125 PolarHBondContact N-O 3.28Å; R122-Q125 PolarHBondContact O-N 2.74Å; Q125-E127 PolarHBondContact O-N 2.74Å
126E97.8Very high96.6Very high83 Ų8367.4 Ų67.439%0.38838%0.382SS..EExtended strand (participates in β ladder)trans-63.4127.7178.4-169.4-175.3-176.800110.2R119 W120 F121 K128R119-E126 WeakPolarHBondContact CD-OE1 3.3Å; W120-E126 CarbonylContact O-C 3.58Å; W120-E126 WeakPolarHBondContact O-CA 3.42Å; F121-E126 HydrophobicContact CD1-CB 4.1Å; F121-E126 HydrophobicContact CE1-CB 3.85Å; F121-E126 HydrophobicContact CE1-CG 4.4Å; F121-E126 HydrophobicContact CZ-CB 4.33Å; F121-E126 HydrophobicContact CZ-CG 4.39Å; E126-K128 HydrophobicContact CG-CG 4.44Å; E126-K128 WeakPolarHBondContact OE1-CE 3.45Å; E126-K128 IonicContact OE1-NZ 3.9Å; E126-K128 VanDerWaalsContact OE2-CE 3.25Å; E126-K128 WeakPolarHBondContact OE2-CE 3.37Å; E126-K128 IonicContact OE2-NZ 3.47Å; E126-K128 PolarHBondContact OE2-NZ 3.05Å
127E96.5Very high96.6Very high50 Ų5068.5 Ų68.523%0.23439%0.388CS..EExtended strand (participates in β ladder)trans-106.5122.3179.1-174.262.4-92.600109.1W120 Q125 A129 V131 L150W120-E127 HydrophobicContact CB-CB 4.34Å; W120-E127 PolarHBondContact O-N 3.19Å; Q125-E127 PolarHBondContact O-N 2.74Å; E127-A129 PolarHBondContact OE1-N 2.96Å; E127-V131 WeakPolarHBondContact O-CG2 3.27Å; E127-L150 HydrophobicContact CG-CD1 3.63Å; E127-L150 HydrophobicContact CG-CD2 4.31Å
128K96.4Very high96.6Very high146 Ų14671.5 Ų71.564%0.63540%0.402SS*.  trans-116.5-24.7178.6-63.5-175.8-177.8179.30111.9E126 V131E126-K128 HydrophobicContact CG-CG 4.44Å; E126-K128 WeakPolarHBondContact OE1-CE 3.45Å; E126-K128 IonicContact OE1-NZ 3.9Å; E126-K128 VanDerWaalsContact OE2-CE 3.25Å; E126-K128 WeakPolarHBondContact OE2-CE 3.37Å; E126-K128 IonicContact OE2-NZ 3.47Å; E126-K128 PolarHBondContact OE2-NZ 3.05Å; K128-V131 PolarHBondContact O-N 2.69Å
129A95Very high96.5Very high70 Ų7073 Ų7358%0.57941%0.409SS*.THydrogen-bonded Turntrans-72.2134.1179.300000109.7E127 V131 L150E127-A129 PolarHBondContact OE1-N 2.96Å; A129-V131 PolarHBondContact O-N 3.37Å; A129-L150 WeakPolarHBondContact O-CD1 3.41Å
130G92.5Very high96.4Very high36 Ų3673.8 Ų73.837%0.37144%0.436SS..THydrogen-bonded Turntrans70.610.9-17900000114.7E151G130-E151 PolarHBondContact O-N 2.78Å
131V97Very high96.3Very high49 Ų4978.2 Ų78.230%0.29746%0.46SS..EExtended strand (participates in β ladder)trans-85.7127.2174.4179.40000110.4W120 E127 K128 A129 V148 M149 L150W120-V131 HydrophobicContact CB-CG2 4.23Å; W120-V131 HydrophobicContact CG-CG2 4.4Å; E127-V131 WeakPolarHBondContact O-CG2 3.27Å; K128-V131 PolarHBondContact O-N 2.69Å; A129-V131 PolarHBondContact O-N 3.37Å; V131-V148 HydrophobicContact CG1-CG1 3.58Å; V131-M149 CarbonylContact C-O 3.52Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.43Å; V131-L150 HydrophobicContact CG2-CD1 3.77Å
132V96.2Very high96.3Very high85 Ų8583.6 Ų83.652%0.51548%0.479SS..EExtended strand (participates in β ladder)trans-129.9134.7178.5-176.90000109.5M149V132-M149 HydrophobicContact CB-CE 4.3Å; V132-M149 HydrophobicContact CG1-CE 4.06Å; V132-M149 PolarHBondContact N-O 2.86Å; V132-M149 PolarHBondContact O-N 2.72Å
133S96.8Very high96.4Very high65 Ų6581 Ų8146%0.45547%0.471SS..EExtended strand (participates in β ladder)trans-112.9144.2175.51770000110.8G135 L147S133-G135 PolarHBondContact O-N 3.45Å; S133-G135 PolarHBondContact OG-N 2.7Å; S133-L147 WeakPolarHBondContact CA-O 3.43Å
134T96.3Very high96.6Very high63 Ų6377.9 Ų77.939%0.38745%0.453SS..  trans-71.3-8.5168.556.50000113.2L147 M149T134-L147 HydrophobicContact CG2-CB 3.79Å; T134-L147 HydrophobicContact CG2-CD1 4.21Å; T134-L147 HydrophobicContact CG2-CG 4.25Å; T134-L147 PolarHBondContact N-O 3.44Å; T134-L147 PolarHBondContact OG1-N 2.73Å; T134-M149 HydrophobicContact CG2-CE 4.01Å
135G96.6Very high96.8Very high35 Ų3577.9 Ų77.936%0.36144%0.437SS..  trans71.9-171-162.800000111.8S133 T146S133-G135 PolarHBondContact O-N 3.45Å; S133-G135 PolarHBondContact OG-N 2.7Å; G135-T146 WeakPolarHBondContact O-CB 3.11Å; G135-T146 PolarHBondContact O-OG1 2.97Å
136L97.6Very high96.9Very high86 Ų8670.8 Ų70.845%0.4541%0.405SS..  trans-84.7124.3-177.5-17270.7000110.8F111 G114 F144F111-L136 HydrophobicContact CE2-CD1 3.87Å; F111-L136 HydrophobicContact CZ-CD1 3.74Å; G114-L136 WeakPolarHBondContact O-CD1 3.47Å; L136-F144 HydrophobicContact CD1-CB 3.64Å; L136-F144 HydrophobicContact CD1-CD1 3.7Å; L136-F144 HydrophobicContact CD1-CG 3.85Å; L136-F144 HydrophobicContact CD2-CD1 3.59Å; L136-F144 HydrophobicContact CD2-CE1 3.63Å; L136-F144 HydrophobicContact CD2-CG 4.37Å; L136-F144 HydrophobicContact CD2-CZ 4.48Å; L136-F144 HydrophobicContact CG-CB 4.38Å; L136-F144 HydrophobicContact CG-CD1 3.52Å; L136-F144 HydrophobicContact CG-CE1 4.07Å; L136-F144 HydrophobicContact CG-CG 4.21Å
137I98Very high96.9Very high66 Ų6669 Ų6934%0.33840%0.397SS..EExtended strand (participates in β ladder)trans-109.2131.7178.6-58.3168000109F144 Q145I137-F144 VanDerWaalsContact O-CA 3.26Å; I137-F144 WeakPolarHBondContact O-CA 3.5Å; I137-Q145 HydrophobicContact CB-CG 3.65Å; I137-Q145 WeakPolarHBondContact CB-O 3.41Å; I137-Q145 HydrophobicContact CD1-CG 4.2Å; I137-Q145 HydrophobicContact CG1-CG 4.47Å; I137-Q145 HydrophobicContact CG2-CG 3.89Å; I137-Q145 PolarHBondContact N-O 3.26Å; I137-Q145 PolarHBondContact O-N 3.26Å
138Q97.8Very high97Very high157 Ų15766.9 Ų66.973%0.73439%0.388SS*.EExtended strand (participates in β ladder)trans-91.7124.6176.1-70.2179.635.300110.5F144Q138-F144 HydrophobicContact CG-CD1 3.83Å; Q138-F144 HydrophobicContact CG-CE1 3.48Å; Q138-F144 VanDerWaalsContact CG-CE1 3.48Å; Q138-F144 HydrophobicContact CG-CZ 4.5Å
139N96.9Very high97Very high59 Ų5961.7 Ų61.732%0.31637%0.366SS..  trans-84.8-16.5-176.9-65-25.3000113.7D141 T143 Q145N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 VanDerWaalsContact CB-OD1 3.24Å; N139-D141 WeakPolarHBondContact CB-OD1 3.45Å; N139-T143 WeakPolarHBondContact CB-O 3.43Å; N139-T143 PolarHBondContact N-O 2.91Å; N139-T143 VanDerWaalsContact N-O 3.14Å; N139-T143 PolarHBondContact ND2-OG1 2.9Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.31Å; N139-Q145 PolarHBondContact OD1-NE2 3.01Å
140G96.4Very high97Very high78 Ų7858.4 Ų58.480%0.80434%0.339SS*.SBendtrans83.9-1.4-175.300000114.9
141D96.9Very high97Very high94 Ų9461.6 Ų61.650%0.50334%0.344SS..SBendtrans-112.623.5-179.969.9-10000113.1N139 T143N139-D141 VanDerWaalsContact C-N 3.31Å; N139-D141 VanDerWaalsContact CB-OD1 3.24Å; N139-D141 WeakPolarHBondContact CB-OD1 3.45Å; D141-T143 VanDerWaalsContact C-N 3.25Å; D141-T143 PolarHBondContact O-N 2.76Å; D141-T143 WeakPolarHBondContact OD1-CB 3.45Å; D141-T143 PolarHBondContact OD1-N 3.29Å; D141-T143 PolarHBondContact OD1-OG1 3.08Å; D141-T143 PolarHBondContact OD2-OG1 3.32Å
142W96.4Very high96.6Very high149 Ų14960 Ų6056%0.56433%0.334SS*.SBendtrans64.624.5-172.3-61.975.1000114.7T79 Y112T79-W142 HydrophobicContact CG2-CH2 4.03Å; T79-W142 HydrophobicContact CG2-CZ3 3.99Å; Y112-W142 WeakPolarHBondContact CD2-O 3.42Å; Y112-W142 HydrophobicContact CE2-CE3 4.17Å
143T98.3Very high96.2Very high18 Ų1858.4 Ų58.411%0.1133%0.325CS..  trans-125.8162.8168.273.90000111.9F111 N139 D141F111-T143 CarbonylContact O-C 3.57Å; F111-T143 WeakPolarHBondContact O-CA 3.45Å; N139-T143 WeakPolarHBondContact CB-O 3.43Å; N139-T143 PolarHBondContact N-O 2.91Å; N139-T143 VanDerWaalsContact N-O 3.14Å; N139-T143 PolarHBondContact ND2-OG1 2.9Å; D141-T143 VanDerWaalsContact C-N 3.25Å; D141-T143 PolarHBondContact O-N 2.76Å; D141-T143 WeakPolarHBondContact OD1-CB 3.45Å; D141-T143 PolarHBondContact OD1-N 3.29Å; D141-T143 PolarHBondContact OD1-OG1 3.08Å; D141-T143 PolarHBondContact OD2-OG1 3.32Å
144F98.6Very high95.5Very high31 Ų3155.5 Ų55.514%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-118.4161.7177.1-61.9-89.5000111.1G110 F111 Y112 G114 L136 I137 Q138G110-F144 PolarHBondContact N-O 2.81Å; F111-F144 WeakPolarHBondContact CD1-O 3.28Å; F111-F144 HydrophobicContact CD2-CB 4.09Å; F111-F144 HydrophobicContact CE1-CB 4.21Å; F111-F144 HydrophobicContact CE2-CB 3.67Å; F111-F144 HydrophobicContact CE2-CG 4.49Å; F111-F144 HydrophobicContact CZ-CB 3.73Å; F111-F144 PolarHBondContact N-O 2.86Å; F111-F144 PolarHBondContact O-N 2.82Å; Y112-F144 HydrophobicContact CD2-CD2 4.08Å; Y112-F144 AromaticContact CD2-CE2 3.57Å; Y112-F144 HydrophobicContact CD2-CE2 3.57Å; Y112-F144 AromaticContact CE2-CE2 3.92Å; Y112-F144 HydrophobicContact CE2-CE2 3.92Å; Y112-F144 HydrophobicContact CG-CE2 4.46Å; G114-F144 VanDerWaalsContact N-CE2 3.3Å; L136-F144 HydrophobicContact CD1-CB 3.64Å; L136-F144 HydrophobicContact CD1-CD1 3.7Å; L136-F144 HydrophobicContact CD1-CG 3.85Å; L136-F144 HydrophobicContact CD2-CD1 3.59Å; L136-F144 HydrophobicContact CD2-CE1 3.63Å; L136-F144 HydrophobicContact CD2-CG 4.37Å; L136-F144 HydrophobicContact CD2-CZ 4.48Å; L136-F144 HydrophobicContact CG-CB 4.38Å; L136-F144 HydrophobicContact CG-CD1 3.52Å; L136-F144 HydrophobicContact CG-CE1 4.07Å; L136-F144 HydrophobicContact CG-CG 4.21Å; I137-F144 VanDerWaalsContact O-CA 3.26Å; I137-F144 WeakPolarHBondContact O-CA 3.5Å; Q138-F144 HydrophobicContact CG-CD1 3.83Å; Q138-F144 HydrophobicContact CG-CE1 3.48Å; Q138-F144 VanDerWaalsContact CG-CE1 3.48Å; Q138-F144 HydrophobicContact CG-CZ 4.5Å
145Q98.4Very high94.9Very high61 Ų6160.7 Ų60.729%0.28532%0.317SS..EExtended strand (participates in β ladder)trans-139.8157.716865.6-178.5-47.300111.3V108 N109 I137 N139V108-Q145 CarbonylContact O-C 3.53Å; V108-Q145 VanDerWaalsContact O-CA 3.29Å; V108-Q145 WeakPolarHBondContact O-CA 3.4Å; N109-Q145 HydrophobicContact CB-CB 4.45Å; N109-Q145 VanDerWaalsContact OD1-CB 3.32Å; N109-Q145 WeakPolarHBondContact OD1-CB 3.44Å; I137-Q145 HydrophobicContact CB-CG 3.65Å; I137-Q145 WeakPolarHBondContact CB-O 3.41Å; I137-Q145 HydrophobicContact CD1-CG 4.2Å; I137-Q145 HydrophobicContact CG1-CG 4.47Å; I137-Q145 HydrophobicContact CG2-CG 3.89Å; I137-Q145 PolarHBondContact N-O 3.26Å; I137-Q145 PolarHBondContact O-N 3.26Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.31Å; N139-Q145 PolarHBondContact OD1-NE2 3.01Å
146T98.5Very high94.2Very high6 Ų663.7 Ų63.74%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-152.3147.9170.4-169.30000110.1V108 F111 I116 V118 G135V108-T146 HydrophobicContact CB-CG2 4.01Å; V108-T146 PolarHBondContact N-O 2.82Å; V108-T146 PolarHBondContact O-N 3.18Å; F111-T146 HydrophobicContact CE1-CG2 4.29Å; F111-T146 HydrophobicContact CZ-CG2 4.26Å; I116-T146 HydrophobicContact CG2-CG2 4.47Å; V118-T146 HydrophobicContact CG2-CG2 4.34Å; G135-T146 WeakPolarHBondContact O-CB 3.11Å; G135-T146 PolarHBondContact O-OG1 2.97Å
147L98Very high93.5Very high44 Ų4462.8 Ų62.823%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-112.9124.2172-53.6177.1000108.2V105 S107 S133 T134V105-L147 HydrophobicContact CG1-CB 4.44Å; V105-L147 HydrophobicContact CG1-CD2 4.21Å; S107-L147 WeakPolarHBondContact OG-CD2 3.27Å; S133-L147 WeakPolarHBondContact CA-O 3.43Å; T134-L147 HydrophobicContact CG2-CB 3.79Å; T134-L147 HydrophobicContact CG2-CD1 4.21Å; T134-L147 HydrophobicContact CG2-CG 4.25Å; T134-L147 PolarHBondContact N-O 3.44Å; T134-L147 PolarHBondContact OG1-N 2.73Å
148V98.1Very high93.1Very high7 Ų760.6 Ų60.64%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-113.6113.5172.6-173.60000108.7C106 V118 W120 V131C106-V148 WeakPolarHBondContact CB-O 3.25Å; C106-V148 PolarHBondContact N-O 3.33Å; C106-V148 PolarHBondContact O-N 3.34Å; V118-V148 HydrophobicContact CB-CB 4.43Å; V118-V148 HydrophobicContact CB-CG2 3.73Å; V118-V148 HydrophobicContact CG1-CB 3.78Å; V118-V148 HydrophobicContact CG1-CG1 4.28Å; V118-V148 HydrophobicContact CG1-CG2 3.59Å; V118-V148 HydrophobicContact CG2-CG2 4.3Å; W120-V148 PolarHBondContact NE1-O 2.89Å; W120-V148 VanDerWaalsContact NE1-O 3.08Å; V131-V148 HydrophobicContact CG1-CG1 3.58Å
149M96.3Very high92.8Very high36 Ų3655.5 Ų55.518%0.17731%0.312CS..EExtended strand (participates in β ladder)trans-107.5136.2-168.4-64.4167.2-69.300109.2L103 L104 V105 V131 V132 T134L103-M149 HydrophobicContact CD1-CB 4.46Å; L103-M149 HydrophobicContact CD2-CB 3.56Å; L103-M149 HydrophobicContact CD2-CG 3.52Å; L103-M149 HydrophobicContact CD2-SD 3.57Å; L103-M149 VanDerWaalsContact CD2-SD 3.57Å; L103-M149 HydrophobicContact CG-CB 3.97Å; L103-M149 HydrophobicContact CG-CG 4.46Å; L104-M149 CarbonylContact O-C 3.59Å; L104-M149 VanDerWaalsContact O-CA 3.28Å; L104-M149 WeakPolarHBondContact O-CA 3.46Å; V105-M149 HydrophobicContact CG1-CG 4.45Å; V105-M149 HydrophobicContact CG2-CG 4.34Å; V131-M149 CarbonylContact C-O 3.52Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.43Å; V132-M149 HydrophobicContact CB-CE 4.3Å; V132-M149 HydrophobicContact CG1-CE 4.06Å; V132-M149 PolarHBondContact N-O 2.86Å; V132-M149 PolarHBondContact O-N 2.72Å; T134-M149 HydrophobicContact CG2-CE 4.01Å
150L95.7Very high92.8Very high2 Ų252.7 Ų52.71%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-115.9118.2174.4172.864.9000109.4L103 L104 W120 E127 A129 V131 T152 Y160L103-L150 WeakPolarHBondContact CA-O 3.4Å; L104-L150 HydrophobicContact CB-CB 4.43Å; L104-L150 PolarHBondContact N-O 2.81Å; L104-L150 PolarHBondContact O-N 2.83Å; W120-L150 HydrophobicContact CB-CD2 4.44Å; W120-L150 HydrophobicContact CD2-CB 4Å; W120-L150 HydrophobicContact CD2-CD2 4.18Å; W120-L150 HydrophobicContact CE3-CD2 4.23Å; W120-L150 HydrophobicContact CG-CB 4.07Å; W120-L150 HydrophobicContact CG-CD2 4.3Å; W120-L150 HydrophobicContact CZ2-CB 4.3Å; E127-L150 HydrophobicContact CG-CD1 3.63Å; E127-L150 HydrophobicContact CG-CD2 4.31Å; A129-L150 WeakPolarHBondContact O-CD1 3.41Å; V131-L150 HydrophobicContact CG2-CD1 3.77Å; L150-T152 HydrophobicContact CD2-CG2 4.27Å; L150-T152 HydrophobicContact CG-CG2 4.2Å; L150-T152 PolarHBondContact O-N 2.82Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.9Å
151E92.9Very high92.8Very high103 Ų10349.8 Ų49.848%0.48126%0.263SS..EExtended strand (participates in β ladder)trans-77.3115.8170.3-171.8178.8175.800110.2H101 G130H101-E151 IonicContact CG-OE1 3.74Å; H101-E151 IonicContact ND1-OE1 3.26Å; H101-E151 PolarHBondContact ND1-OE1 2.82Å; G130-E151 PolarHBondContact O-N 2.78Å
152T88.4Confident92.9Very high14 Ų1445.3 Ų45.39%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-155.6167-179-176.30000111.8N102 L104 L150 P154 Y160N102-T152 CarbonylContact C-O 3.52Å; N102-T152 WeakPolarHBondContact CA-O 3.44Å; N102-T152 PolarHBondContact N-O 2.93Å; N102-T152 PolarHBondContact O-N 2.9Å; L104-T152 HydrophobicContact CD1-CG2 3.86Å; L104-T152 HydrophobicContact CG-CG2 4.08Å; L150-T152 HydrophobicContact CD2-CG2 4.27Å; L150-T152 HydrophobicContact CG-CG2 4.2Å; L150-T152 PolarHBondContact O-N 2.82Å; T152-P154 HydrophobicContact CG2-CG 4.07Å; T152-Y160 HydrophobicContact CG2-CE1 3.86Å; T152-Y160 PolarHBondContact OG1-OH 3.24Å; T152-Y160 VanDerWaalsContact OG1-OH 3.06Å
153V86.6Confident93Very high53 Ų5339.8 Ų39.832%0.32122%0.22SC..  trans-114.893168.4-177.40000107.2L98 R155L98-V153 WeakPolarHBondContact O-CG1 3.39Å; V153-R155 PolarHBondContact O-N 2.84Å
154P83.8Confident93Very high4 Ų439 Ų393%0.02622%0.215CC..PPolyproline II helixtrans-63.3129.9-172-21.431.6000112.4L98 T152 Y160 W177 A179L98-P154 HydrophobicContact CD2-CB 3.96Å; L98-P154 HydrophobicContact CD2-CG 4.18Å; T152-P154 HydrophobicContact CG2-CG 4.07Å; P154-Y160 HydrophobicContact CB-CE2 4.03Å; P154-W177 HydrophobicContact CB-CH2 3.75Å; P154-W177 HydrophobicContact CB-CZ3 3.66Å; P154-W177 HydrophobicContact CG-CH2 3.76Å; P154-W177 HydrophobicContact CG-CZ3 3.8Å; P154-A179 HydrophobicContact CB-CB 3.94Å
155R82.4Confident93Very high171 Ų17140.6 Ų40.665%0.64522%0.223SC*.PPolyproline II helixtrans-101.1152.5175.3-56.4179.5177-177-1110.8V153 G157 E158V153-R155 PolarHBondContact O-N 2.84Å; R155-G157 PolarHBondContact O-N 2.98Å; R155-E158 HydrophobicContact CB-CG 4.02Å; R155-E158 PolarHBondContact N-OE2 2.98Å; R155-E158 WeakPolarHBondContact O-CB 3.35Å; R155-E158 PolarHBondContact O-N 2.68Å; R155-E158 VanDerWaalsContact O-N 3.15Å
156S81.4Confident93Very high99 Ų9938.2 Ų38.269%0.69221%0.212SC*.THydrogen-bonded Turntrans-59131.1174.8-178.40000110.3
157G83.6Confident93Very high67 Ų6741.2 Ų41.269%0.69123%0.231SC*.THydrogen-bonded Turntrans90.5-8.6-178.700000114.7R155R155-G157 PolarHBondContact O-N 2.98Å
158E89.2Confident93Very high20 Ų2040.1 Ų40.19%0.09323%0.227CC..  trans-79.2142171.9-63.1-179154.300111.4R122 R155 Y160 S178R122-E158 IonicContact CZ-OE1 3.67Å; R122-E158 IonicContact NE-OE1 3.22Å; R122-E158 PolarHBondContact NE-OE1 2.82Å; R122-E158 IonicContact NE-OE2 3.48Å; R122-E158 IonicContact NH2-OE1 2.67Å; R122-E158 PolarHBondContact NH2-OE1 3.16Å; R122-E158 IonicContact NH2-OE2 3.58Å; R155-E158 HydrophobicContact CB-CG 4.02Å; R155-E158 PolarHBondContact N-OE2 2.98Å; R155-E158 WeakPolarHBondContact O-CB 3.35Å; R155-E158 PolarHBondContact O-N 2.68Å; R155-E158 VanDerWaalsContact O-N 3.15Å; E158-Y160 HydrophobicContact CB-CD2 4.43Å; E158-Y160 HydrophobicContact CB-CE2 3.72Å; E158-Y160 PolarHBondContact OE2-OH 3.22Å; E158-S178 WeakPolarHBondContact O-CB 3.32Å
159V93.1Very high93Very high49 Ų4941.6 Ų41.630%0.29723%0.234SC..EExtended strand (participates in β ladder)trans-117.7124.4175.4-177.10000108.7N123 Q176N123-V159 PolarHBondContact N-O 3.4Å; N123-V159 PolarHBondContact OD1-N 2.84Å; V159-Q176 HydrophobicContact CG1-CB 4.27Å; V159-Q176 HydrophobicContact CG1-CG 4.3Å
160Y95.1Very high93Very high0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-106.2135.4175.4-64.2-95.1000108.6L104 F121 R122 L150 T152 P154 E158 Q176 W177L104-Y160 HydrophobicContact CD1-CD1 3.7Å; L104-Y160 HydrophobicContact CD1-CD2 3.86Å; L104-Y160 HydrophobicContact CD1-CE1 4.17Å; L104-Y160 HydrophobicContact CD1-CE2 4.34Å; L104-Y160 HydrophobicContact CD1-CG 3.52Å; F121-Y160 CarbonylContact O-C 3.58Å; F121-Y160 WeakPolarHBondContact O-CA 3.46Å; R122-Y160 HydrophobicContact CB-CD1 4.39Å; R122-Y160 HydrophobicContact CB-CE1 4.34Å; R122-Y160 HydrophobicContact CG-CD1 4.34Å; R122-Y160 HydrophobicContact CG-CE1 3.93Å; L150-Y160 HydrophobicContact CD2-CD1 3.68Å; L150-Y160 HydrophobicContact CD2-CE1 3.9Å; T152-Y160 HydrophobicContact CG2-CE1 3.86Å; T152-Y160 PolarHBondContact OG1-OH 3.24Å; T152-Y160 VanDerWaalsContact OG1-OH 3.06Å; P154-Y160 HydrophobicContact CB-CE2 4.03Å; E158-Y160 HydrophobicContact CB-CD2 4.43Å; E158-Y160 HydrophobicContact CB-CE2 3.72Å; E158-Y160 PolarHBondContact OE2-OH 3.22Å; Y160-Q176 CarbonylContact O-C 3.5Å; Y160-Q176 WeakPolarHBondContact O-CA 3.3Å; Y160-W177 AromaticContact CD2-CE3 3.79Å; Y160-W177 HydrophobicContact CD2-CE3 3.79Å; Y160-W177 AromaticContact CD2-CZ3 3.88Å; Y160-W177 HydrophobicContact CD2-CZ3 3.88Å; Y160-W177 HydrophobicContact CE2-CZ3 4.23Å; Y160-W177 HydrophobicContact CG-CE3 4.35Å; Y160-W177 PolarHBondContact N-O 3.49Å; Y160-W177 PolarHBondContact O-N 3.24Å
161T97.9Very high93Very high17 Ų1753.2 Ų53.210%0.10430%0.3CS..EExtended strand (participates in β ladder)trans-126.5125.8-179.7-52.10000109.2W120 F121 T174 V175 Q176W120-T161 CarbonylContact C-O 3.6Å; F121-T161 PolarHBondContact N-O 2.88Å; F121-T161 PolarHBondContact O-N 3.13Å; T161-T174 HydrophobicContact CG2-CG2 4.11Å; T161-V175 WeakPolarHBondContact CA-O 3.29Å; T161-Q176 HydrophobicContact CG2-CG 4.2Å
162C98.3Very high93.3Very high0 Ų050.8 Ų50.80%029%0.293CS..EExtended strand (participates in β ladder)trans-91.2121163.2-176.90000108.5V90 C106 W120 T174 V175V90-C162 HydrophobicContact CG2-CB 3.64Å; C106-C162 HydrophobicContact CB-CB 3.63Å; C106-C162 WeakPolarHBondContact CB-SG 3.27Å; C106-C162 WeakPolarHBondContact SG-CB 3.25Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.24Å; W120-C162 HydrophobicContact CE3-CB 4.39Å; W120-C162 HydrophobicContact CH2-CB 4.37Å; W120-C162 HydrophobicContact CZ3-CB 4.22Å; C162-T174 WeakPolarHBondContact O-CA 3.32Å; C162-V175 PolarHBondContact N-O 2.96Å; C162-V175 PolarHBondContact O-N 2.98Å
163Q98.6Very high93.7Very high34 Ų3453 Ų5316%0.15930%0.304CS..EExtended strand (participates in β ladder)trans-107.1130.9174.9-176.6178.165.100109.3V118 R119 F121 P172 L173 T174V118-Q163 CarbonylContact C-O 3.54Å; V118-Q163 WeakPolarHBondContact CA-O 3.48Å; R119-Q163 PolarHBondContact N-O 3.01Å; R119-Q163 VanDerWaalsContact NH2-OE1 3.08Å; R119-Q163 PolarHBondContact O-N 3.06Å; F121-Q163 HydrophobicContact CD2-CB 4.09Å; F121-Q163 HydrophobicContact CE2-CB 3.72Å; F121-Q163 HydrophobicContact CE2-CG 4.41Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.26Å; Q163-P172 HydrophobicContact CG-CB 3.67Å; Q163-L173 CarbonylContact C-O 3.55Å; Q163-L173 WeakPolarHBondContact CA-O 3.41Å; Q163-T174 HydrophobicContact CB-CG2 4.08Å; Q163-T174 HydrophobicContact CG-CG2 3.9Å
164V98.7Very high94.2Very high0 Ų054 Ų540%031%0.31CS..EExtended strand (participates in β ladder)trans-124.3123.5-177.6-179.80000109.7P86 V88 V108 I116 E117 V118 M169 P172 L173P86-V164 HydrophobicContact CG-CG1 3.98Å; V88-V164 HydrophobicContact CG1-CG2 4.2Å; V88-V164 HydrophobicContact CG2-CB 4.21Å; V88-V164 HydrophobicContact CG2-CG1 4.48Å; V88-V164 HydrophobicContact CG2-CG2 3.7Å; V108-V164 HydrophobicContact CG1-CG1 4.08Å; V108-V164 HydrophobicContact CG1-CG2 4.47Å; V108-V164 HydrophobicContact CG2-CG2 3.88Å; I116-V164 HydrophobicContact CD1-CG1 3.75Å; I116-V164 HydrophobicContact CG1-CG1 4.01Å; E117-V164 WeakPolarHBondContact O-CA 3.23Å; V118-V164 HydrophobicContact CG1-CG2 4.21Å; V118-V164 HydrophobicContact CG2-CG1 4.38Å; V118-V164 HydrophobicContact CG2-CG2 4.22Å; V164-M169 HydrophobicContact CG1-CE 4.31Å; V164-P172 WeakPolarHBondContact O-CA 3.49Å; V164-L173 HydrophobicContact CB-CB 4.48Å; V164-L173 PolarHBondContact N-O 2.9Å; V164-L173 PolarHBondContact O-N 2.83Å
165E98.6Very high94.9Very high66 Ų6655.6 Ų55.631%0.30832%0.32SS..EExtended strand (participates in β ladder)trans-111.2129.4172.6-62-172.4-166.200109.6I116 E117 R119 P172I116-E165 WeakPolarHBondContact CG1-O 3.18Å; E117-E165 HydrophobicContact CB-CB 4.27Å; E117-E165 PolarHBondContact N-O 3.01Å; E117-E165 PolarHBondContact O-N 3.46Å; R119-E165 IonicContact CZ-OE1 3.43Å; R119-E165 IonicContact NH2-OE1 3.91Å; R119-E165 PolarHBondContact NH2-OE1 3.38Å; E165-P172 HydrophobicContact CG-CB 3.8Å; E165-P172 HydrophobicContact CG-CG 3.85Å
166H98.6Very high95.5Very high11 Ų1154 Ų545%0.05132%0.32CS..  trans-152.2141-175.5-178.9-105000110V84 P86 F111 Y112 P113 S115 I116 S168 M169V84-H166 PolarHBondContact O-CE1 2.8Å; P86-H166 HydrophobicContact CG-CB 4.34Å; F111-H166 AromaticContact CD2-CD2 3.83Å; F111-H166 AromaticContact CD2-NE2 3.68Å; Y112-H166 VanDerWaalsContact C-CE1 3.48Å; Y112-H166 PolarHBondContact O-CE1 2.96Å; P113-H166 PolarHBondContact O-NE2 3.12Å; S115-H166 PolarHBondContact O-CD2 2.8Å; S115-H166 VanDerWaalsContact O-CD2 3.24Å; I116-H166 HydrophobicContact CD1-CB 4.46Å; I116-H166 HydrophobicContact CG1-CB 4.24Å; H166-S168 PolarHBondContact CE1-OG 3.03Å; H166-S168 VanDerWaalsContact ND1-CB 3.29Å; H166-S168 WeakPolarHBondContact ND1-CB 3.04Å; H166-S168 PolarHBondContact ND1-N 2.74Å; H166-S168 PolarHBondContact ND1-OG 3.2Å; H166-S168 PolarHBondContact O-N 3.14Å; H166-M169 HydrophobicContact CB-CE 3.9Å; H166-M169 PolarHBondContact O-N 2.98Å
167P97.9Very high96.1Very high68 Ų6851.4 Ų51.444%0.44230%0.295SS..THydrogen-bonded Turntrans-59.7-9.6-176.7-27.936.3000116.6P113 S115 M169P113-P167 HydrophobicContact CG-CG 4.4Å; S115-P167 VanDerWaalsContact O-CD 3.29Å; S115-P167 WeakPolarHBondContact O-CD 3.02Å; P167-M169 VanDerWaalsContact C-N 3.31Å
168S97.8Very high96.3Very high21 Ų2151.1 Ų51.115%0.14728%0.282CS..THydrogen-bonded Turntrans-85.2-2.7174.4750000113.9Q85 H166Q85-S168 VanDerWaalsContact CA-OG 3.27Å; Q85-S168 WeakPolarHBondContact CA-OG 3.01Å; Q85-S168 WeakPolarHBondContact CG-OG 3.44Å; H166-S168 PolarHBondContact CE1-OG 3.03Å; H166-S168 VanDerWaalsContact ND1-CB 3.29Å; H166-S168 WeakPolarHBondContact ND1-CB 3.04Å; H166-S168 PolarHBondContact ND1-N 2.74Å; H166-S168 PolarHBondContact ND1-OG 3.2Å; H166-S168 PolarHBondContact O-N 3.14Å
169M97.3Very high95.8Very high39 Ų3950.6 Ų50.619%0.19228%0.281CS..  trans-127.8143.1-175-58.4-172.5-6700109.7Q85 P86 V164 H166 P167 L173Q85-M169 HydrophobicContact CG-CG 4.06Å; P86-M169 HydrophobicContact CG-CE 3.65Å; P86-M169 HydrophobicContact CG-SD 4.2Å; V164-M169 HydrophobicContact CG1-CE 4.31Å; H166-M169 HydrophobicContact CB-CE 3.9Å; H166-M169 PolarHBondContact O-N 2.98Å; P167-M169 VanDerWaalsContact C-N 3.31Å; M169-L173 HydrophobicContact CE-CB 3.78Å; M169-L173 HydrophobicContact SD-CB 3.89Å; M169-L173 HydrophobicContact SD-CD2 4.37Å
170M96.6Very high94.6Very high196 Ų19658 Ų5897%0.96630%0.304SS*.SBendtrans-83.7-20.7178.8-66.3-60.1-62.900113.1
171S97.3Very high92.6Very high85 Ų8560.4 Ų60.459%0.59432%0.32SS*.SBendtrans-136.5155.7178.4570000110.3L173S171-L173 PolarHBondContact O-N 3.36Å
172P97.4Very high90.6Very high53 Ų5367.1 Ų67.134%0.34435%0.351SS..  trans-63133.6178-20.331.7000111.7Q163 V164 E165Q163-P172 HydrophobicContact CG-CB 3.67Å; V164-P172 WeakPolarHBondContact O-CA 3.49Å; E165-P172 HydrophobicContact CG-CB 3.8Å; E165-P172 HydrophobicContact CG-CG 3.85Å
173L97.6Very high88.4Confident60 Ų6069.7 Ų69.731%0.31437%0.369SS..EExtended strand (participates in β ladder)trans-81.3127.9171.4177.259.9000109V88 Q163 V164 M169 S171V88-L173 HydrophobicContact CB-CD2 4.03Å; V88-L173 HydrophobicContact CG2-CD2 3.53Å; V88-L173 HydrophobicContact CG2-CG 4.36Å; Q163-L173 CarbonylContact C-O 3.55Å; Q163-L173 WeakPolarHBondContact CA-O 3.41Å; V164-L173 HydrophobicContact CB-CB 4.48Å; V164-L173 PolarHBondContact N-O 2.9Å; V164-L173 PolarHBondContact O-N 2.83Å; M169-L173 HydrophobicContact CE-CB 3.78Å; M169-L173 HydrophobicContact SD-CB 3.89Å; M169-L173 HydrophobicContact SD-CD2 4.37Å; S171-L173 PolarHBondContact O-N 3.36Å
174T97.6Very high86.3Confident74 Ų7471 Ų7145%0.45439%0.385SS..EExtended strand (participates in β ladder)trans-118.4131.6177.954.80000110.9T161 C162 Q163T161-T174 HydrophobicContact CG2-CG2 4.11Å; C162-T174 WeakPolarHBondContact O-CA 3.32Å; Q163-T174 HydrophobicContact CB-CG2 4.08Å; Q163-T174 HydrophobicContact CG-CG2 3.9Å
175V97.7Very high84.2Confident37 Ų3777.6 Ų77.622%0.22442%0.416CS..EExtended strand (participates in β ladder)trans-123.6120.8175.1-179.70000108.5V88 V90 T161 C162V88-V175 HydrophobicContact CB-CG2 3.83Å; V88-V175 HydrophobicContact CG1-CB 4.11Å; V88-V175 HydrophobicContact CG1-CG2 3.62Å; V90-V175 HydrophobicContact CB-CG1 4.07Å; V90-V175 HydrophobicContact CG2-CB 3.92Å; V90-V175 HydrophobicContact CG2-CG1 3.67Å; T161-V175 WeakPolarHBondContact CA-O 3.29Å; C162-V175 PolarHBondContact N-O 2.96Å; C162-V175 PolarHBondContact O-N 2.98Å
176Q95.8Very high82.2Confident139 Ų13978.3 Ų78.365%0.6543%0.428SS*.EExtended strand (participates in β ladder)trans-95.5145.8-178.9-65.8-177.5-9.800111.5V159 Y160 T161V159-Q176 HydrophobicContact CG1-CB 4.27Å; V159-Q176 HydrophobicContact CG1-CG 4.3Å; Y160-Q176 CarbonylContact O-C 3.5Å; Y160-Q176 WeakPolarHBondContact O-CA 3.3Å; T161-Q176 HydrophobicContact CG2-CG 4.2Å
177W93.3Very high80.3Confident44 Ų4484.7 Ų84.717%0.16746%0.456CS..EExtended strand (participates in β ladder)trans-136.9138.3172.7-178.193.8000109.5V90 P92 L104 P154 Y160 A179V90-W177 HydrophobicContact CB-CB 4.18Å; V90-W177 HydrophobicContact CG1-CB 3.47Å; V90-W177 VanDerWaalsContact CG1-CB 3.47Å; V90-W177 HydrophobicContact CG1-CG 3.93Å; P92-W177 HydrophobicContact CB-CZ2 4.43Å; P92-W177 HydrophobicContact CG-CZ2 4.27Å; L104-W177 HydrophobicContact CD1-CD2 4.43Å; L104-W177 HydrophobicContact CD1-CE3 3.66Å; L104-W177 HydrophobicContact CD1-CZ3 3.79Å; L104-W177 HydrophobicContact CD2-CD2 3.74Å; L104-W177 HydrophobicContact CD2-CE3 3.65Å; L104-W177 HydrophobicContact CD2-CH2 3.79Å; L104-W177 HydrophobicContact CD2-CZ2 3.86Å; L104-W177 HydrophobicContact CD2-CZ3 3.68Å; L104-W177 HydrophobicContact CG-CE3 4.33Å; L104-W177 HydrophobicContact CG-CZ3 4.33Å; P154-W177 HydrophobicContact CB-CH2 3.75Å; P154-W177 HydrophobicContact CB-CZ3 3.66Å; P154-W177 HydrophobicContact CG-CH2 3.76Å; P154-W177 HydrophobicContact CG-CZ3 3.8Å; Y160-W177 AromaticContact CD2-CE3 3.79Å; Y160-W177 HydrophobicContact CD2-CE3 3.79Å; Y160-W177 AromaticContact CD2-CZ3 3.88Å; Y160-W177 HydrophobicContact CD2-CZ3 3.88Å; Y160-W177 HydrophobicContact CE2-CZ3 4.23Å; Y160-W177 HydrophobicContact CG-CE3 4.35Å; Y160-W177 PolarHBondContact N-O 3.49Å; Y160-W177 PolarHBondContact O-N 3.24Å; W177-A179 HydrophobicContact CH2-CB 3.85Å; W177-A179 HydrophobicContact CZ3-CB 4.16Å
178S89.1Confident78.4Confident60 Ų6088.1 Ų88.142%0.4247%0.468SS..EExtended strand (participates in β ladder)trans-136.9143.3175.957.50000110.4E158 R180E158-S178 WeakPolarHBondContact O-CB 3.32Å; S178-R180 PolarHBondContact O-N 2.87Å
179A78.7Confident76.7Confident9 Ų993.6 Ų93.67%0.07449%0.494CS..  trans-70.6102.5173.200000108.6L98 P154 W177L98-A179 HydrophobicContact CD1-CB 4.27Å; L98-A179 HydrophobicContact CD2-CB 4.19Å; P154-A179 HydrophobicContact CB-CB 3.94Å; W177-A179 HydrophobicContact CH2-CB 3.85Å; W177-A179 HydrophobicContact CZ3-CB 4.16Å
180R67.4Low75.3Confident206 Ų20696 Ų9678%0.77752%0.515SS*.  trans-70.8134.8169.2-73.5-176178.5-179.5-0.2109S178 E182S178-R180 PolarHBondContact O-N 2.87Å; R180-E182 PolarHBondContact O-N 2.93Å
181S53.5Low74.1Confident49 Ų4988.9 Ų88.934%0.34349%0.492SS..  trans-65.8127.7168.7175.30000109.7S183 A184S181-S183 PolarHBondContact O-N 3.48Å; S181-S183 VanDerWaalsContact O-N 3.11Å; S181-S183 WeakPolarHBondContact OG-CB 3.26Å; S181-S183 PolarHBondContact OG-N 3.25Å; S181-A184 WeakPolarHBondContact O-CB 3.28Å; S181-A184 PolarHBondContact O-N 3.41Å
182E55.6Low73.1Confident159 Ų15988.9 Ų88.974%0.74349%0.488SS*.Hα-helixtrans-51.2-32168.2-75.2-174.9155.700111.8R180 A184 Q185 S186R180-E182 PolarHBondContact O-N 2.93Å; E182-A184 VanDerWaalsContact C-N 3.29Å; E182-A184 PolarHBondContact O-N 3.25Å; E182-Q185 PolarHBondContact O-N 2.97Å; E182-S186 WeakPolarHBondContact O-CB 3.23Å; E182-S186 PolarHBondContact O-N 2.77Å
183S51.9Low71.9Confident53 Ų5388 Ų8837%0.37149%0.489SS..Hα-helixtrans-63.6-32.1177.5134.50000112.3S181 K187S181-S183 PolarHBondContact O-N 3.48Å; S181-S183 VanDerWaalsContact O-N 3.11Å; S181-S183 WeakPolarHBondContact OG-CB 3.26Å; S181-S183 PolarHBondContact OG-N 3.25Å; S183-K187 WeakPolarHBondContact O-CB 3.43Å; S183-K187 WeakPolarHBondContact O-CD 3.26Å; S183-K187 WeakPolarHBondContact O-CG 3.27Å; S183-K187 PolarHBondContact O-N 2.03Å; S183-K187 WeakPolarHBondContact OG-CE 3.4Å; S183-K187 PolarHBondContact OG-NZ 2.97Å; S183-K187 VanDerWaalsContact OG-NZ 3.16Å
184A53.3Low71.1Confident61 Ų6187.3 Ų87.350%0.50450%0.496SS..Hα-helixtrans-69.2-39.1176.700000111.7S181 E182 M188S181-A184 WeakPolarHBondContact O-CB 3.28Å; S181-A184 PolarHBondContact O-N 3.41Å; E182-A184 VanDerWaalsContact C-N 3.29Å; E182-A184 PolarHBondContact O-N 3.25Å; A184-M188 WeakPolarHBondContact O-CB 3.49Å; A184-M188 PolarHBondContact O-N 2.79Å; A184-M188 VanDerWaalsContact O-N 3.08Å
185Q56.1Low70.5Confident139 Ų13990.7 Ų90.765%0.6551%0.505SS*.Hα-helixtrans-75.1-38.8-179.2-158171.1-4.500112E182 L189E182-Q185 PolarHBondContact O-N 2.97Å; Q185-L189 PolarHBondContact O-N 3.4Å
186S56.8Low69.9Low81 Ų8192.6 Ų92.657%0.56652%0.516SS*.Hα-helixtrans-67.2-42.5173.5171.10000112.5E182 M188 L189 S190E182-S186 WeakPolarHBondContact O-CB 3.23Å; E182-S186 PolarHBondContact O-N 2.77Å; S186-M188 PolarHBondContact O-N 2.94Å; S186-L189 PolarHBondContact O-N 3.49Å; S186-S190 PolarHBondContact O-N 3.41Å
187K58.7Low69.5Low146 Ų14690.8 Ų90.864%0.63551%0.511SS*.Hα-helixtrans-66.1-36.8176.4-73.8171.3-178.7171.20112.5S183 G191S183-K187 WeakPolarHBondContact O-CB 3.43Å; S183-K187 WeakPolarHBondContact O-CD 3.26Å; S183-K187 WeakPolarHBondContact O-CG 3.27Å; S183-K187 PolarHBondContact O-N 2.03Å; S183-K187 WeakPolarHBondContact OG-CE 3.4Å; S183-K187 PolarHBondContact OG-NZ 2.97Å; S183-K187 VanDerWaalsContact OG-NZ 3.16Å; K187-G191 PolarHBondContact O-N 3.13Å
188M58Low69.3Low139 Ų13990.3 Ų90.369%0.68552%0.519SS*.Hα-helixtrans-66-42175.7-135-175.996.500111.7A184 S186 G191 V192A184-M188 WeakPolarHBondContact O-CB 3.49Å; A184-M188 PolarHBondContact O-N 2.79Å; A184-M188 VanDerWaalsContact O-N 3.08Å; S186-M188 PolarHBondContact O-N 2.94Å; M188-G191 PolarHBondContact O-N 2.95Å; M188-V192 WeakPolarHBondContact O-CG2 3.42Å; M188-V192 PolarHBondContact O-N 3.43Å
189L60.9Low69.4Low136 Ų13692 Ų9271%0.71252%0.523SS*.Hα-helixtrans-65.3-42.1177.7-121.284.2000112.3Q185 S186 G191 G193Q185-L189 PolarHBondContact O-N 3.4Å; S186-L189 PolarHBondContact O-N 3.49Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G193 PolarHBondContact O-N 3.17Å
190S68.5Low70Confident90 Ų9096.7 Ų96.763%0.62955%0.546SS*.Hα-helixtrans-66.2-36.3176.4-169.30000112.2S186 G194S186-S190 PolarHBondContact O-N 3.41Å; S190-G194 PolarHBondContact O-N 3.09Å; S190-G194 VanDerWaalsContact O-N 3.08Å
191G70.1Confident71.1Confident46 Ų4694.2 Ų94.247%0.47454%0.541SS..Hα-helixtrans-66.8-43.7177.200000113K187 M188 L189 G194 F195K187-G191 PolarHBondContact O-N 3.13Å; M188-G191 PolarHBondContact O-N 2.95Å; L189-G191 VanDerWaalsContact C-N 3.34Å; G191-G194 PolarHBondContact O-N 3.22Å; G191-F195 PolarHBondContact O-N 3.01Å
192V76.9Confident72.9Confident85 Ų8597.2 Ų97.252%0.51555%0.553SS.*Hα-helixtrans-65.1-42176.1174.80000111M188 G194 F195 V196M188-V192 WeakPolarHBondContact O-CG2 3.42Å; M188-V192 PolarHBondContact O-N 3.43Å; V192-G194 PolarHBondContact O-N 3.34Å; V192-F195 PolarHBondContact O-N 3.2Å; V192-V196 HydrophobicContact CG1-CG2 4.45Å; V192-V196 WeakPolarHBondContact O-CG2 3.24Å; V192-V196 PolarHBondContact O-N 3.49Å
193G72.1Confident74.5Confident35 Ų3591.6 Ų91.636%0.36154%0.538SS..Hα-helixtrans-59.1-44.2175.400000113L189 L197L189-G193 PolarHBondContact O-N 3.17Å; G193-L197 WeakPolarHBondContact O-CG 3.34Å; G193-L197 PolarHBondContact O-N 3.47Å
194G81.8Confident76.3Confident45 Ų4592.8 Ų92.846%0.46454%0.543SS..Hα-helixtrans-65.3-39.1176.300000113.4S190 G191 V192 L197 G198S190-G194 PolarHBondContact O-N 3.09Å; S190-G194 VanDerWaalsContact O-N 3.08Å; G191-G194 PolarHBondContact O-N 3.22Å; V192-G194 PolarHBondContact O-N 3.34Å; G194-L197 PolarHBondContact O-N 2.87Å; G194-G198 PolarHBondContact O-N 2.62Å
195F83.6Confident78Confident145 Ų14591.7 Ų91.764%0.63654%0.538SS*.Hα-helixtrans-67-41.9179.4-165.8-101.6000112.4G191 V192 G198 L199G191-F195 PolarHBondContact O-N 3.01Å; V192-F195 PolarHBondContact O-N 3.2Å; F195-G198 PolarHBondContact O-N 3.1Å; F195-L199 HydrophobicContact CD1-CD1 3.84Å; F195-L199 HydrophobicContact CD1-CG 4.34Å; F195-L199 HydrophobicContact CE1-CD1 3.56Å; F195-L199 HydrophobicContact CE1-CG 4.13Å; F195-L199 HydrophobicContact CZ-CD1 4.37Å; F195-L199 WeakPolarHBondContact O-CG 3.45Å; F195-L199 PolarHBondContact O-N 3.2Å
196V86.6Confident79.6Confident77 Ų7789.7 Ų89.747%0.46753%0.531SS..Hα-helixtrans-64.1-44.2176.7173.60000111V192 G198 L199 L200V192-V196 HydrophobicContact CG1-CG2 4.45Å; V192-V196 WeakPolarHBondContact O-CG2 3.24Å; V192-V196 PolarHBondContact O-N 3.49Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.41Å; V196-L199 PolarHBondContact O-N 3.31Å; V196-L200 HydrophobicContact CG1-CD1 4.37Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.46Å; V196-L200 VanDerWaalsContact O-N 3.13Å
197L87.5Confident81.1Confident102 Ų10292.2 Ų92.253%0.53453%0.532SS..Hα-helixtrans-61-43.4175.1-73.3168.2000111.4G193 G194 L199 L200 F201G193-L197 WeakPolarHBondContact O-CG 3.34Å; G193-L197 PolarHBondContact O-N 3.47Å; G194-L197 PolarHBondContact O-N 2.87Å; L197-L199 PolarHBondContact O-N 3.44Å; L197-L200 PolarHBondContact O-N 3.02Å; L197-F201 WeakPolarHBondContact O-CD2 3.26Å; L197-F201 PolarHBondContact O-N 3.19Å; L197-F201 VanDerWaalsContact O-N 3.12Å
198G87.5Confident82.4Confident33 Ų3390.6 Ų90.634%0.3453%0.529SS..Hα-helixtrans-60-42.8176.700000113.6G194 F195 V196 L200 F201 L202G194-G198 PolarHBondContact O-N 2.62Å; F195-G198 PolarHBondContact O-N 3.1Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.41Å; G198-L200 PolarHBondContact O-N 3.4Å; G198-F201 PolarHBondContact O-N 3.37Å; G198-L202 WeakPolarHBondContact O-CG 3.45Å; G198-L202 PolarHBondContact O-N 3.18Å
199L92.2Very high83.8Confident95 Ų9590.5 Ų90.550%0.49752%0.522SS..Hα-helixtrans-65.6-36.1176.9-73.6176.2000112.8F195 V196 L197 L202 G203F195-L199 HydrophobicContact CD1-CD1 3.84Å; F195-L199 HydrophobicContact CD1-CG 4.34Å; F195-L199 HydrophobicContact CE1-CD1 3.56Å; F195-L199 HydrophobicContact CE1-CG 4.13Å; F195-L199 HydrophobicContact CZ-CD1 4.37Å; F195-L199 WeakPolarHBondContact O-CG 3.45Å; F195-L199 PolarHBondContact O-N 3.2Å; V196-L199 PolarHBondContact O-N 3.31Å; L197-L199 PolarHBondContact O-N 3.44Å; L199-L202 PolarHBondContact O-N 2.9Å; L199-G203 PolarHBondContact O-N 3.5Å
200L90.6Very high84.8Confident108 Ų10889.3 Ų89.357%0.56551%0.512SS*.Hα-helixtrans-64.8-43175.1-71.4169.2000111.7V196 L197 G198 G203 T204V196-L200 HydrophobicContact CG1-CD1 4.37Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.46Å; V196-L200 VanDerWaalsContact O-N 3.13Å; L197-L200 PolarHBondContact O-N 3.02Å; G198-L200 PolarHBondContact O-N 3.4Å; L200-G203 PolarHBondContact O-N 3.27Å; L200-T204 WeakPolarHBondContact O-CB 3.32Å; L200-T204 WeakPolarHBondContact O-CG2 3.39Å; L200-T204 PolarHBondContact O-N 3.41Å; L200-T204 PolarHBondContact O-OG1 3.3Å
201F90.4Very high85.3Confident155 Ų15593.7 Ų93.768%0.6851%0.514SS*.Hα-helixtrans-66.2-40.3175.4-77.2-66000112.6L197 G198 T204 G205L197-F201 WeakPolarHBondContact O-CD2 3.26Å; L197-F201 PolarHBondContact O-N 3.19Å; L197-F201 VanDerWaalsContact O-N 3.12Å; G198-F201 PolarHBondContact O-N 3.37Å; F201-T204 WeakPolarHBondContact CA-OG1 3.47Å; F201-T204 PolarHBondContact O-OG1 3.47Å; F201-G205 PolarHBondContact O-N 3.47Å
202L90.8Very high85.4Confident111 Ų11197.1 Ų97.158%0.58152%0.522SS*.Hα-helixtrans-64.9-43.7175.1-78.6166000112G198 L199 G205 L206G198-L202 WeakPolarHBondContact O-CG 3.45Å; G198-L202 PolarHBondContact O-N 3.18Å; L199-L202 PolarHBondContact O-N 2.9Å; L202-G205 PolarHBondContact O-N 3.42Å; L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 PolarHBondContact O-N 3.29Å
203G89.9Confident85Confident42 Ų4297.8 Ų97.843%0.43352%0.519SS..Hα-helixtrans-63.7-45.9178.700000112.8L199 L200 L206 F207L199-G203 PolarHBondContact O-N 3.5Å; L200-G203 PolarHBondContact O-N 3.27Å; G203-L206 PolarHBondContact O-N 3.36Å; G203-F207 WeakPolarHBondContact O-CB 3.45Å; G203-F207 PolarHBondContact O-N 3.35Å
204T90.3Very high84.4Confident77 Ų77104.9 Ų104.947%0.47254%0.54SS..Hα-helixtrans-64.5-42.4175.550.20000111.8L200 F201 F207 I208L200-T204 WeakPolarHBondContact O-CB 3.32Å; L200-T204 WeakPolarHBondContact O-CG2 3.39Å; L200-T204 PolarHBondContact O-N 3.41Å; L200-T204 PolarHBondContact O-OG1 3.3Å; F201-T204 WeakPolarHBondContact CA-OG1 3.47Å; F201-T204 PolarHBondContact O-OG1 3.47Å; T204-F207 PolarHBondContact O-N 3.46Å; T204-I208 WeakPolarHBondContact O-CG1 3.27Å; T204-I208 PolarHBondContact O-N 3.5Å
205G89.3Confident83.1Confident38 Ų38105.6 Ų105.639%0.39255%0.547SS..Hα-helixtrans-59.5-47.9174.700000112.9F201 L202 F207 I208 Y209F201-G205 PolarHBondContact O-N 3.47Å; L202-G205 PolarHBondContact O-N 3.42Å; G205-F207 PolarHBondContact O-N 3.27Å; G205-I208 PolarHBondContact O-N 3.17Å; G205-Y209 WeakPolarHBondContact O-CB 3.36Å; G205-Y209 PolarHBondContact O-N 2.91Å
206L89.7Confident81.5Confident98 Ų98106.9 Ų106.951%0.51356%0.555SS.*Hα-helixtrans-60.1-44.5175.2-108.484.6000111.5L202 G203 I208 Y209 F210L202-L206 WeakPolarHBondContact O-CB 3.44Å; L202-L206 PolarHBondContact O-N 3.29Å; G203-L206 PolarHBondContact O-N 3.36Å; L206-I208 PolarHBondContact O-N 3.25Å; L206-Y209 PolarHBondContact O-N 2.65Å; L206-F210 HydrophobicContact CB-CD2 4.42Å; L206-F210 HydrophobicContact CB-CE2 4.48Å; L206-F210 HydrophobicContact CD2-CE2 3.85Å; L206-F210 HydrophobicContact CG-CD2 4.49Å; L206-F210 HydrophobicContact CG-CE2 4.08Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 3.12Å
207F86.8Confident79.8Confident133 Ų133108.6 Ų108.658%0.58357%0.57SS**Hα-helixtrans-61.6-44.3-179.5-178-98.7000112.2G203 T204 G205 R211G203-F207 WeakPolarHBondContact O-CB 3.45Å; G203-F207 PolarHBondContact O-N 3.35Å; T204-F207 PolarHBondContact O-N 3.46Å; G205-F207 PolarHBondContact O-N 3.27Å; F207-R211 HydrophobicContact CE1-CG 4.47Å; F207-R211 WeakPolarHBondContact O-CB 3.41Å; F207-R211 PolarHBondContact O-N 3.18Å
208I85.9Confident78Confident113 Ų113106.8 Ų106.858%0.57958%0.576SS**Hα-helixtrans-63.9-45.6175.9-66.7169000110.4T204 G205 L206 F210 R211 N212T204-I208 WeakPolarHBondContact O-CG1 3.27Å; T204-I208 PolarHBondContact O-N 3.5Å; G205-I208 PolarHBondContact O-N 3.17Å; L206-I208 PolarHBondContact O-N 3.25Å; I208-F210 PolarHBondContact O-N 3.11Å; I208-R211 PolarHBondContact O-N 2.76Å; I208-N212 WeakPolarHBondContact O-CB 3.35Å; I208-N212 PolarHBondContact O-N 3.16Å
209Y87.8Confident75.9Confident136 Ų136113.4 Ų113.453%0.53360%0.603SS.*Hα-helixtrans-57.1-48.5178177.1-98.4000112.2G205 L206 N212 Q213G205-Y209 WeakPolarHBondContact O-CB 3.36Å; G205-Y209 PolarHBondContact O-N 2.91Å; L206-Y209 PolarHBondContact O-N 2.65Å; Y209-N212 PolarHBondContact O-N 2.95Å; Y209-Q213 HydrophobicContact CE1-CG 4.34Å; Y209-Q213 PolarHBondContact O-N 2.94Å; Y209-Q213 PolarHBondContact OH-NE2 3.32Å
210F81.7Confident73.5Confident112 Ų112118 Ų11849%0.49162%0.622SS.*Hα-helixtrans-68.7-33.3178-78.1-63.5000113.4L206 I208 N212 K214L206-F210 HydrophobicContact CB-CD2 4.42Å; L206-F210 HydrophobicContact CB-CE2 4.48Å; L206-F210 HydrophobicContact CD2-CE2 3.85Å; L206-F210 HydrophobicContact CG-CD2 4.49Å; L206-F210 HydrophobicContact CG-CE2 4.08Å; L206-F210 WeakPolarHBondContact O-CD2 3.47Å; L206-F210 PolarHBondContact O-N 3.12Å; I208-F210 PolarHBondContact O-N 3.11Å; F210-N212 VanDerWaalsContact C-N 3.31Å; F210-K214 PolarHBondContact O-N 3.05Å
211R79.1Confident71.4Confident181 Ų181118.4 Ų118.468%0.68363%0.631SS**Hα-helixtrans-63.3-39.3170.8-107.3-177.569.8158.5-0.7111.7F207 I208 K214 G215F207-R211 HydrophobicContact CE1-CG 4.47Å; F207-R211 WeakPolarHBondContact O-CB 3.41Å; F207-R211 PolarHBondContact O-N 3.18Å; I208-R211 PolarHBondContact O-N 2.76Å; R211-K214 PolarHBondContact O-N 3.41Å; R211-G215 PolarHBondContact O-N 3.05Å
212N73.8Confident69.3Low118 Ų118118 Ų11863%0.63164%0.642SS**Hα-helixtrans-72.4-35.1-178.2-141.417.9000111.9I208 Y209 F210 K214 G215I208-N212 WeakPolarHBondContact O-CB 3.35Å; I208-N212 PolarHBondContact O-N 3.16Å; Y209-N212 PolarHBondContact O-N 2.95Å; F210-N212 VanDerWaalsContact C-N 3.31Å; N212-K214 VanDerWaalsContact C-N 3.34Å; N212-K214 PolarHBondContact O-N 3.47Å; N212-G215 PolarHBondContact O-N 2.93Å
213Q68.1Low67Low100 Ų100116 Ų11647%0.46765%0.647SS.*Hα-helixtrans-64.6-34.7171.9-77.1-163.1-2800113Y209 G215Y209-Q213 HydrophobicContact CE1-CG 4.34Å; Y209-Q213 PolarHBondContact O-N 2.94Å; Y209-Q213 PolarHBondContact OH-NE2 3.32Å; Q213-G215 PolarHBondContact O-N 3.05Å
214K58.7Low64.7Low183 Ų183121.8 Ų121.880%0.79667%0.668SS**G310 helixtrans-71.2-14.3175.5-77.4-176.4176.7-178.50114.3F210 R211 N212F210-K214 PolarHBondContact O-N 3.05Å; R211-K214 PolarHBondContact O-N 3.41Å; N212-K214 VanDerWaalsContact C-N 3.34Å; N212-K214 PolarHBondContact O-N 3.47Å
215G54.4Low62.3Low60 Ų60125.6 Ų125.662%0.61968%0.684SS**G310 helixtrans-84.2-8.1177.900000115.4R211 N212 Q213R211-G215 PolarHBondContact O-N 3.05Å; N212-G215 PolarHBondContact O-N 2.93Å; Q213-G215 PolarHBondContact O-N 3.05Å
216H50.6Low60.4Low173 Ų173133.1 Ų133.180%0.80173%0.731SS**G310 helixtrans-104.313.2-176.4-92.872.7000114.4
217S50.1Low58.9Low112 Ų112134.9 Ų134.978%0.78374%0.742SS**SBendtrans-121.348.6-176.9-51.70000113.7
218G51Low57.4Low64 Ų64135 Ų13566%0.6675%0.75SS**  trans-17698.6168.700000115
219L43.3Very low55.8Low173 Ų173136.2 Ų136.291%0.90676%0.76SS**  171.1113.6129-105132.4000109.9
220Q40.4Very low54Low190 Ų190136.2 Ų136.289%0.88877%0.773SS**  trans-121.9119.4160.6-155.7-177.3900106.8
221P46.5Very low52.2Low117 Ų117137.8 Ų137.876%0.7679%0.791SS**  trans-83.6146.1176412.9000111.8
222T48Very low50.4Low147 Ų147134.9 Ų134.990%0.90280%0.798SS**  trans-79.5146.2178.7-14.20000112.9
223G42.1Very low48.8Very low68 Ų68136.1 Ų136.170%0.70181%0.81SS**  trans87.7151.9156.600000115.8
224L40.4Very low47.3Very low164 Ų164138.8 Ų138.886%0.85984%0.836SS**  cis-164.2164.98.5-143.6107.3000109.6
225L41.7Very low46.3Very low157 Ų157135.2 Ų135.282%0.82284%0.84SS**  trans-32.3153.6177.2-66.4150.3000121.2
226S47.5Very low45.6Very low197 Ų197142 Ų142100%1.37886%0.86SS**  trans90.60152.8-124.60000119.7

Retrieved 226 of 226 residues in 700.6 ms (Link to these results)

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