A0A087Y9P5_POEFO Loading...

WD repeat domain, phosphoinositide interacting 1

AlphaFold DB , UniProt , Accession A0A087Y9P5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 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
1M33.6Very low31.8Very low226 Ų226143.7 Ų143.7100%1.11381%0.812SS**  0137.90-83.5158.4155.800107.2
2E33.4Very low31.8Very low174 Ų174135 Ų13581%0.81378%0.778SS**  trans36.586.2167.6-71.7126.4-121.500117.7
3T28.9Very low32.5Very low135 Ų135132.3 Ų132.383%0.82877%0.768SS**PPolyproline II helixtrans-65.1120.7139.342.60000108.1E5T3-E5 PolarHBondContact O-N 3.06Å
4Q31Very low33.6Very low190 Ų190131.8 Ų131.889%0.88875%0.754SS**PPolyproline II helixtrans-70.9124.7168.8-74.8-178.7-39.500109.3
5E30.1Very low34.9Very low181 Ų181132.6 Ų132.685%0.84674%0.74SS**PPolyproline II helixtrans-73.5133.4173.2-66177.7132.200109.5T3 V7T3-E5 PolarHBondContact O-N 3.06Å; E5-V7 PolarHBondContact O-N 2.79Å
6A30.6Very low37.5Very low100 Ų100128.3 Ų128.383%0.82671%0.712SS**  trans-77104.1174.100000108.8S8A6-S8 PolarHBondContact O-N 2.75Å; A6-S8 VanDerWaalsContact O-N 3.11Å
7V31.3Very low40.5Very low135 Ų135122.8 Ų122.882%0.81868%0.68SS**  trans-59.6114.7171.7179.30000108.3E5 E9E5-V7 PolarHBondContact O-N 2.79Å; V7-E9 PolarHBondContact O-N 3.37Å; V7-E9 VanDerWaalsContact O-N 3.16Å
8S32.3Very low43.5Very low112 Ų112118.7 Ų118.778%0.78366%0.656SS**  trans-75.699.8174.554.30000109.3A6 G10A6-S8 PolarHBondContact O-N 2.75Å; A6-S8 VanDerWaalsContact O-N 3.11Å; S8-G10 PolarHBondContact O-N 3.12Å
9E31.3Very low46.2Very low186 Ų186113.7 Ų113.787%0.86963%0.63SS**  trans-58.1131.7172.1-68.5-173.7145.700110.6V7V7-E9 PolarHBondContact O-N 3.37Å; V7-E9 VanDerWaalsContact O-N 3.16Å
10G31.8Very low48.7Very low59 Ų59109.1 Ų109.161%0.60861%0.607SS**  trans-68.7176.1-179.800000113.9S8 G12S8-G10 PolarHBondContact O-N 3.12Å; G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.28Å
11P35.5Very low51Low83 Ų83104.7 Ų104.754%0.53958%0.584SS.*  trans-75.870.9-173.434.2-38.6000113.5R15P11-R15 VanDerWaalsContact CB-NH1 3.28Å
12G31.6Very low54Low39 Ų3995.3 Ų95.340%0.40254%0.537SS..  trans-53.7155.9-174.900000116.4G10 H14G10-G12 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.28Å; G12-H14 PolarHBondContact O-N 3.12Å
13P41.3Very low57.1Low100 Ų10087.3 Ų87.365%0.64950%0.5SS*.THydrogen-bonded Turntrans-70.69.9-158.328-37.9000116.8R15P13-R15 VanDerWaalsContact C-N 3.26Å; P13-R15 PolarHBondContact O-N 3.07Å
14H47.9Very low60.4Low125 Ų12582.8 Ų82.858%0.57947%0.469SS*.THydrogen-bonded Turntrans-85.98.7179.4-59.4-64.6000113.7G12 H16G12-H14 PolarHBondContact O-N 3.12Å; H14-H16 VanDerWaalsContact C-N 3.28Å; H14-H16 PolarHBondContact O-N 3.22Å
15R53.6Low63.5Low144 Ų14476.8 Ų76.854%0.54344%0.443SS..THydrogen-bonded Turntrans-76.6-1.1-166.9-79.8178.4164.6-146.1-1116.4P11 P13 K34P11-R15 VanDerWaalsContact CB-NH1 3.28Å; P13-R15 VanDerWaalsContact C-N 3.26Å; P13-R15 PolarHBondContact O-N 3.07Å; R15-K34 VanDerWaalsContact O-CD 3.24Å; R15-K34 WeakPolarHBondContact O-CD 3.49Å; R15-K34 WeakPolarHBondContact O-CE 3.27Å; R15-K34 PolarHBondContact O-NZ 2.93Å
16H75.3Confident66.7Low63 Ų6369.3 Ų69.329%0.29241%0.41SS..THydrogen-bonded Turntrans-97.3-30.4-168.2-61.1-112.6000112.3H14 T33 K34 E364H14-H16 VanDerWaalsContact C-N 3.28Å; H14-H16 PolarHBondContact O-N 3.22Å; H16-T33 CarbonylContact O-C 3.59Å; H16-T33 WeakPolarHBondContact O-CA 3.39Å; H16-T33 WeakPolarHBondContact O-CB 3.44Å; H16-K34 PolarHBondContact O-N 3.04Å; H16-K34 VanDerWaalsContact O-N 3.16Å; H16-E364 IonicContact CE1-OE2 3.16Å; H16-E364 PolarHBondContact CE1-OE2 3.43Å; H16-E364 IonicContact CG-OE2 2.71Å; H16-E364 IonicContact ND1-OE2 2.76Å; H16-E364 PolarHBondContact ND1-OE2 3.1Å
17F89Confident69.8Low36 Ų3666.2 Ų66.216%0.15838%0.381CS..EExtended strand (participates in β ladder)trans-74.7130.8179.3-174-78.6000112.1A20 V31 F360F17-A20 HydrophobicContact CE2-CB 3.99Å; F17-A20 HydrophobicContact CZ-CB 3.74Å; F17-V31 HydrophobicContact CD2-CG1 4.06Å; F17-V31 HydrophobicContact CE2-CG1 4.09Å; F17-F360 HydrophobicContact CB-CE2 4Å; F17-F360 HydrophobicContact CB-CZ 4.12Å; F17-F360 HydrophobicContact CD2-CE2 4.13Å; F17-F360 AromaticContact CD2-CZ 3.95Å; F17-F360 HydrophobicContact CD2-CZ 3.95Å
18I93.9Very high72.9Confident48 Ų4859.8 Ų59.825%0.24634%0.342CS..EExtended strand (participates in β ladder)trans-117-51172.3-57-179.7000110.8G32 K34 D59 V60 L77I18-G32 PolarHBondContact N-O 3.42Å; I18-K34 HydrophobicContact CD1-CG 4.07Å; I18-K34 HydrophobicContact CG1-CG 4.42Å; I18-D59 HydrophobicContact CD1-CB 4.29Å; I18-V60 WeakPolarHBondContact CB-O 3.48Å; I18-L77 HydrophobicContact CD1-CD1 4.29Å; I18-L77 HydrophobicContact CG2-CD1 4.49Å
19C94.7Very high76.1Confident24 Ų2454.4 Ų54.416%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-146.2166.6-179.576.80000113.2V31 G32 Y61C19-V31 WeakPolarHBondContact O-CA 3.31Å; C19-G32 PolarHBondContact N-O 3.4Å; C19-G32 PolarHBondContact O-N 3.48Å; C19-Y61 VanDerWaalsContact CB-O 3.26Å; C19-Y61 WeakPolarHBondContact CB-O 3.18Å; C19-Y61 PolarHBondContact SG-O 3.37Å
20A96.6Very high79.3Confident22 Ų2245.6 Ų45.618%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-145.6154.8165.500000111F17 L29 S30 V31 I317F17-A20 HydrophobicContact CE2-CB 3.99Å; F17-A20 HydrophobicContact CZ-CB 3.74Å; A20-L29 HydrophobicContact CB-CD1 4.17Å; A20-S30 CarbonylContact C-O 3.51Å; A20-S30 WeakPolarHBondContact CA-O 3.38Å; A20-V31 HydrophobicContact CB-CG2 4.4Å; A20-I317 HydrophobicContact CB-CD1 3.82Å; A20-I317 HydrophobicContact CB-CG1 4.46Å
21S96.9Very high82.4Confident17 Ų1742.8 Ų42.812%0.11923%0.234CC..EExtended strand (participates in β ladder)trans-146.8133.2173.8-1720000110S30 E64S21-S30 PolarHBondContact N-O 3.07Å; S21-S30 PolarHBondContact O-N 3.16Å; S21-E64 WeakPolarHBondContact CB-OE2 3.38Å; S21-E64 VanDerWaalsContact OG-CD 3.29Å; S21-E64 PolarHBondContact OG-OE1 3.17Å; S21-E64 PolarHBondContact OG-OE2 2.9Å
22F98.1Very high85.2Confident28 Ų2838.8 Ų38.812%0.12321%0.208CC..EExtended strand (participates in β ladder)trans-81.8139165.2-70.8-75.9000109L29 I317 A319 L330 A332 L338F22-L29 HydrophobicContact CD1-CB 4.15Å; F22-L29 HydrophobicContact CD1-CD1 3.94Å; F22-L29 HydrophobicContact CE1-CB 4.1Å; F22-L29 HydrophobicContact CE1-CD1 3.84Å; F22-L29 HydrophobicContact CE1-CG 4.37Å; F22-L29 HydrophobicContact CE2-CD1 4.44Å; F22-L29 HydrophobicContact CG-CD1 4.28Å; F22-L29 HydrophobicContact CZ-CD1 4.1Å; F22-I317 HydrophobicContact CD2-CD1 3.67Å; F22-I317 HydrophobicContact CD2-CG1 4.12Å; F22-I317 HydrophobicContact CE2-CD1 3.86Å; F22-I317 HydrophobicContact CE2-CG1 3.87Å; F22-A319 HydrophobicContact CB-CB 4.31Å; F22-A319 HydrophobicContact CD1-CB 4.25Å; F22-A319 HydrophobicContact CD2-CB 3.5Å; F22-A319 VanDerWaalsContact CD2-CB 3.5Å; F22-A319 HydrophobicContact CE1-CB 4.47Å; F22-A319 HydrophobicContact CE2-CB 3.76Å; F22-A319 HydrophobicContact CG-CB 3.77Å; F22-A319 HydrophobicContact CZ-CB 4.25Å; F22-L330 HydrophobicContact CD1-CD1 4.44Å; F22-L330 HydrophobicContact CE1-CB 3.9Å; F22-L330 HydrophobicContact CE1-CD1 3.8Å; F22-L330 HydrophobicContact CE2-CB 4.42Å; F22-L330 HydrophobicContact CZ-CB 3.59Å; F22-L330 HydrophobicContact CZ-CD1 4.38Å; F22-A332 HydrophobicContact CE2-CB 4.48Å; F22-A332 HydrophobicContact CZ-CB 4.29Å; F22-L338 HydrophobicContact CE1-CD1 4.42Å; F22-L338 HydrophobicContact CZ-CD1 4.06Å
23N97.5Very high88.2Confident6 Ų637.3 Ų37.33%0.03219%0.191CC..  trans-68.9171.5174.473.8-14.2000112.1D25 T26 T27 S28 F67N23-D25 VanDerWaalsContact CG-OD1 3.26Å; N23-D25 PolarHBondContact ND2-OD1 3.37Å; N23-D25 PolarHBondContact O-N 2.69Å; N23-D25 VanDerWaalsContact O-N 3.11Å; N23-D25 PolarHBondContact OD1-OD1 2.71Å; N23-D25 VanDerWaalsContact OD1-OD1 3.06Å; N23-T26 PolarHBondContact O-N 2.74Å; N23-T26 WeakPolarHBondContact OD1-CA 3.11Å; N23-T26 PolarHBondContact OD1-N 3.4Å; N23-T27 PolarHBondContact ND2-OG1 2.77Å; N23-T27 PolarHBondContact OD1-N 3.17Å; N23-S28 VanDerWaalsContact CG-N 3.33Å; N23-S28 PolarHBondContact N-O 3.11Å; N23-S28 VanDerWaalsContact ND2-CB 3.3Å; N23-S28 WeakPolarHBondContact ND2-CB 3.34Å; N23-S28 PolarHBondContact ND2-N 2.86Å; N23-S28 PolarHBondContact OD1-N 3.39Å; N23-S28 PolarHBondContact OD1-O 3.43Å; N23-F67 PolarHBondContact ND2-O 3.36Å
24Q97.6Very high90.7Very high40 Ų4037 Ų3719%0.18718%0.18CC..THydrogen-bonded Turntrans-61.9-24.2-166.2-59.577.64.500114.7R65 F67 L108 V150Q24-R65 PolarHBondContact NE2-O 3.25Å; Q24-R65 PolarHBondContact OE1-O 3.29Å; Q24-F67 HydrophobicContact CB-CD1 4Å; Q24-F67 HydrophobicContact CB-CE1 3.69Å; Q24-F67 HydrophobicContact CB-CE2 4.31Å; Q24-F67 HydrophobicContact CB-CG 4.45Å; Q24-F67 HydrophobicContact CB-CZ 3.86Å; Q24-F67 HydrophobicContact CG-CE1 4.45Å; Q24-F67 HydrophobicContact CG-CE2 4.2Å; Q24-F67 HydrophobicContact CG-CZ 4.16Å; Q24-F67 VanDerWaalsContact OE1-CA 3.32Å; Q24-L108 WeakPolarHBondContact CG-O 3.44Å; Q24-L108 PolarHBondContact NE2-O 2.89Å; Q24-V150 HydrophobicContact CB-CG1 3.91Å; Q24-V150 HydrophobicContact CB-CG2 3.97Å
25D96Very high92.8Very high64 Ų6433.2 Ų33.234%0.34217%0.17SC..THydrogen-bonded Turntrans-111.37.5179.358.517.2000112.7N23 T27 F67N23-D25 VanDerWaalsContact CG-OD1 3.26Å; N23-D25 PolarHBondContact ND2-OD1 3.37Å; N23-D25 PolarHBondContact O-N 2.69Å; N23-D25 VanDerWaalsContact O-N 3.11Å; N23-D25 PolarHBondContact OD1-OD1 2.71Å; N23-D25 VanDerWaalsContact OD1-OD1 3.06Å; D25-T27 HydrophobicContact CB-CG2 4.35Å; D25-T27 VanDerWaalsContact CG-OG1 3.32Å; D25-T27 PolarHBondContact O-N 3.38Å; D25-T27 WeakPolarHBondContact OD1-CB 3.21Å; D25-T27 WeakPolarHBondContact OD1-CG2 3.21Å; D25-T27 PolarHBondContact OD1-N 2.97Å; D25-T27 VanDerWaalsContact OD1-N 3.12Å; D25-T27 PolarHBondContact OD1-OG1 2.84Å; D25-F67 HydrophobicContact CB-CD1 4.18Å; D25-F67 WeakPolarHBondContact OD2-CD1 3.33Å
26T96.9Very high94.7Very high25 Ų2526.4 Ų26.415%0.15315%0.145CC..SBendtrans59.719.8-177.868.10000115.1N23 V42 A319 A321N23-T26 PolarHBondContact O-N 2.74Å; N23-T26 WeakPolarHBondContact OD1-CA 3.11Å; N23-T26 PolarHBondContact OD1-N 3.4Å; T26-V42 WeakPolarHBondContact O-CG2 3.07Å; T26-A319 HydrophobicContact CG2-CB 3.87Å; T26-A321 WeakPolarHBondContact OG1-CB 3.44Å
27T96.8Very high95.7Very high34 Ų3423.6 Ų23.621%0.20913%0.132CC..SBendtrans-84.4-19.1177.461.20000114.3N23 D25 V42 T43 S68N23-T27 PolarHBondContact ND2-OG1 2.77Å; N23-T27 PolarHBondContact OD1-N 3.17Å; D25-T27 HydrophobicContact CB-CG2 4.35Å; D25-T27 VanDerWaalsContact CG-OG1 3.32Å; D25-T27 PolarHBondContact O-N 3.38Å; D25-T27 WeakPolarHBondContact OD1-CB 3.21Å; D25-T27 WeakPolarHBondContact OD1-CG2 3.21Å; D25-T27 PolarHBondContact OD1-N 2.97Å; D25-T27 VanDerWaalsContact OD1-N 3.12Å; D25-T27 PolarHBondContact OD1-OG1 2.84Å; T27-V42 VanDerWaalsContact C-CG2 3.45Å; T27-V42 WeakPolarHBondContact O-CG2 3.24Å; T27-V42 PolarHBondContact O-N 3.07Å; T27-T43 HydrophobicContact CG2-CG2 4.19Å; T27-S68 PolarHBondContact OG1-OG 3.27Å
28S97.3Very high96Very high0 Ų023.5 Ų23.50%013%0.13CC..EExtended strand (participates in β ladder)trans-138.4141.1-177.3-168.60000112.1N23 F40 R65N23-S28 VanDerWaalsContact CG-N 3.33Å; N23-S28 PolarHBondContact N-O 3.11Å; N23-S28 VanDerWaalsContact ND2-CB 3.3Å; N23-S28 WeakPolarHBondContact ND2-CB 3.34Å; N23-S28 PolarHBondContact ND2-N 2.86Å; N23-S28 PolarHBondContact OD1-N 3.39Å; N23-S28 PolarHBondContact OD1-O 3.43Å; S28-F40 CarbonylContact C-O 3.52Å; S28-F40 WeakPolarHBondContact CA-O 3.43Å; S28-F40 WeakPolarHBondContact CB-O 3.43Å; S28-F40 PolarHBondContact OG-O 3.28Å; S28-R65 PolarHBondContact OG-NH1 3.08Å
29L98.2Very high96.2Very high0 Ų021.2 Ų21.20%012%0.118CC..EExtended strand (participates in β ladder)trans-108.1120.6173.6174.364.6000109A20 F22 V31 F40 V42 I317 A332 L338 L359A20-L29 HydrophobicContact CB-CD1 4.17Å; F22-L29 HydrophobicContact CD1-CB 4.15Å; F22-L29 HydrophobicContact CD1-CD1 3.94Å; F22-L29 HydrophobicContact CE1-CB 4.1Å; F22-L29 HydrophobicContact CE1-CD1 3.84Å; F22-L29 HydrophobicContact CE1-CG 4.37Å; F22-L29 HydrophobicContact CE2-CD1 4.44Å; F22-L29 HydrophobicContact CG-CD1 4.28Å; F22-L29 HydrophobicContact CZ-CD1 4.1Å; L29-V31 HydrophobicContact CD2-CG2 4.26Å; L29-V31 HydrophobicContact CG-CG2 4Å; L29-F40 HydrophobicContact CB-CB 4.45Å; L29-F40 PolarHBondContact N-O 3.08Å; L29-F40 PolarHBondContact O-N 2.89Å; L29-V42 HydrophobicContact CB-CG1 3.93Å; L29-I317 HydrophobicContact CD1-CD1 4.26Å; L29-A332 HydrophobicContact CD1-CB 4.1Å; L29-A332 HydrophobicContact CD2-CB 4.05Å; L29-L338 HydrophobicContact CD2-CB 4.41Å; L29-L338 HydrophobicContact CD2-CD1 4.34Å; L29-L338 HydrophobicContact CD2-CD2 4.14Å; L29-L359 HydrophobicContact CD2-CD2 3.98Å
30S97.8Very high96.3Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-95.6137.1172.9-46.70000109.2A20 S21 L39A20-S30 CarbonylContact C-O 3.51Å; A20-S30 WeakPolarHBondContact CA-O 3.38Å; S21-S30 PolarHBondContact N-O 3.07Å; S21-S30 PolarHBondContact O-N 3.16Å; S30-L39 WeakPolarHBondContact OG-CD2 3.47Å
31V97.1Very high96.3Very high0 Ų020.9 Ų20.90%011%0.114CC..EExtended strand (participates in β ladder)trans-133.3123.3-178.9-176.10000109.5F17 C19 A20 L29 T33 Y37 R38 F40 L359 F360F17-V31 HydrophobicContact CD2-CG1 4.06Å; F17-V31 HydrophobicContact CE2-CG1 4.09Å; C19-V31 WeakPolarHBondContact O-CA 3.31Å; A20-V31 HydrophobicContact CB-CG2 4.4Å; L29-V31 HydrophobicContact CD2-CG2 4.26Å; L29-V31 HydrophobicContact CG-CG2 4Å; V31-T33 HydrophobicContact CG1-CG2 4.29Å; V31-Y37 CarbonylContact O-C 3.55Å; V31-Y37 VanDerWaalsContact O-CA 3.27Å; V31-Y37 WeakPolarHBondContact O-CA 3.34Å; V31-Y37 WeakPolarHBondContact O-CB 3.37Å; V31-R38 PolarHBondContact N-O 2.82Å; V31-R38 PolarHBondContact O-N 3.2Å; V31-F40 HydrophobicContact CB-CE2 4.27Å; V31-F40 HydrophobicContact CG2-CD2 4Å; V31-F40 HydrophobicContact CG2-CE2 3.82Å; V31-L359 HydrophobicContact CG2-CD1 4.24Å; V31-F360 HydrophobicContact CG1-CE1 3.97Å; V31-F360 HydrophobicContact CG1-CZ 3.77Å
32G96.1Very high96.3Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-97.7137.2175.800000111.3I18 C19 V60I18-G32 PolarHBondContact N-O 3.42Å; C19-G32 PolarHBondContact N-O 3.4Å; C19-G32 PolarHBondContact O-N 3.48Å; G32-V60 CarbonylContact C-O 3.59Å; G32-V60 WeakPolarHBondContact CA-O 3.04Å
33T94.6Very high96.1Very high7 Ų723 Ų234%0.04313%0.128CC..EExtended strand (participates in β ladder)trans-135.2172.6-174.173.60000112.2H16 V31 A35 G36 D59 V60 F360H16-T33 CarbonylContact O-C 3.59Å; H16-T33 WeakPolarHBondContact O-CA 3.39Å; H16-T33 WeakPolarHBondContact O-CB 3.44Å; V31-T33 HydrophobicContact CG1-CG2 4.29Å; T33-A35 VanDerWaalsContact C-N 3.33Å; T33-A35 PolarHBondContact OG1-N 2.9Å; T33-G36 PolarHBondContact N-O 2.76Å; T33-G36 VanDerWaalsContact O-O 3.1Å; T33-G36 PolarHBondContact OG1-N 2.89Å; T33-G36 PolarHBondContact OG1-O 2.74Å; T33-G36 VanDerWaalsContact OG1-O 3.08Å; T33-D59 CarbonylContact O-C 3.36Å; T33-D59 WeakPolarHBondContact O-CA 3.4Å; T33-D59 PolarHBondContact O-N 2.62Å; T33-V60 PolarHBondContact O-N 2.85Å; T33-F360 HydrophobicContact CG2-CD1 4.41Å; T33-F360 HydrophobicContact CG2-CE1 3.48Å; T33-F360 VanDerWaalsContact CG2-CE1 3.48Å; T33-F360 HydrophobicContact CG2-CZ 3.94Å
34K92.6Very high96Very high94 Ų9424.6 Ų24.641%0.40914%0.142SC..SBendtrans-62.1-37.9169.4-68.8-168.1173.9175.40113.4R15 H16 I18 P58 D59R15-K34 VanDerWaalsContact O-CD 3.24Å; R15-K34 WeakPolarHBondContact O-CD 3.49Å; R15-K34 WeakPolarHBondContact O-CE 3.27Å; R15-K34 PolarHBondContact O-NZ 2.93Å; H16-K34 PolarHBondContact O-N 3.04Å; H16-K34 VanDerWaalsContact O-N 3.16Å; I18-K34 HydrophobicContact CD1-CG 4.07Å; I18-K34 HydrophobicContact CG1-CG 4.42Å; K34-P58 CarbonylContact O-C 3.54Å; K34-P58 VanDerWaalsContact O-CA 3.27Å; K34-P58 WeakPolarHBondContact O-CA 3.1Å; K34-P58 WeakPolarHBondContact O-CB 3.45Å; K34-D59 PolarHBondContact O-N 2.97Å
35A91.8Very high95.8Very high45 Ų4522.9 Ų22.937%0.37213%0.134SC..SBendtrans-81-17.8-178.100000113.7T33T33-A35 VanDerWaalsContact C-N 3.33Å; T33-A35 PolarHBondContact OG1-N 2.9Å
36G94.4Very high95.7Very high1 Ų125.3 Ų25.31%0.0115%0.148CC..  trans156.5-137.1-173.200000112.8T33 G54 C57 V60T33-G36 PolarHBondContact N-O 2.76Å; T33-G36 VanDerWaalsContact O-O 3.1Å; T33-G36 PolarHBondContact OG1-N 2.89Å; T33-G36 PolarHBondContact OG1-O 2.74Å; T33-G36 VanDerWaalsContact OG1-O 3.08Å; G36-G54 CarbonylContact C-O 3.54Å; G36-G54 WeakPolarHBondContact CA-O 3.5Å; G36-C57 WeakPolarHBondContact CA-O 3.22Å; G36-V60 WeakPolarHBondContact O-CB 3.5Å; G36-V60 VanDerWaalsContact O-CG2 3.28Å; G36-V60 WeakPolarHBondContact O-CG2 3.27Å
37Y95.8Very high95.5Very high5 Ų530 Ų302%0.0217%0.165CC..EExtended strand (participates in β ladder)trans-143152.6172.867.4-80.3000112.3V31 L39 H52 E53 G54 V60 V63 V72 V74V31-Y37 CarbonylContact O-C 3.55Å; V31-Y37 VanDerWaalsContact O-CA 3.27Å; V31-Y37 WeakPolarHBondContact O-CA 3.34Å; V31-Y37 WeakPolarHBondContact O-CB 3.37Å; Y37-L39 HydrophobicContact CD2-CD2 4.11Å; Y37-L39 HydrophobicContact CD2-CG 4.11Å; Y37-L39 HydrophobicContact CE2-CD1 4.21Å; Y37-L39 HydrophobicContact CE2-CD2 4.4Å; Y37-L39 HydrophobicContact CE2-CG 4.12Å; Y37-H52 AromaticContact CE2-CD2 3.76Å; Y37-H52 AromaticContact CZ-CD2 3.97Å; Y37-H52 AromaticContact CZ-NE2 3.83Å; Y37-H52 PolarHBondContact OH-NE2 3.05Å; Y37-E53 WeakPolarHBondContact O-CA 3.46Å; Y37-G54 VanDerWaalsContact CD1-O 3.29Å; Y37-G54 WeakPolarHBondContact CD1-O 3.47Å; Y37-G54 PolarHBondContact N-O 3.35Å; Y37-G54 PolarHBondContact O-N 2.81Å; Y37-V60 HydrophobicContact CD1-CG2 4.39Å; Y37-V63 HydrophobicContact CD2-CG2 3.66Å; Y37-V63 HydrophobicContact CE2-CG2 4.38Å; Y37-V63 HydrophobicContact CG-CG2 4.03Å; Y37-V72 HydrophobicContact CD2-CG2 4.49Å; Y37-V72 HydrophobicContact CE2-CG1 4.05Å; Y37-V72 HydrophobicContact CE2-CG2 3.98Å; Y37-V72 WeakPolarHBondContact OH-CG1 3.29Å; Y37-V74 HydrophobicContact CD1-CG1 4.36Å; Y37-V74 HydrophobicContact CD1-CG2 4.03Å; Y37-V74 HydrophobicContact CE1-CG2 3.76Å; Y37-V74 HydrophobicContact CE2-CG2 4.44Å; Y37-V74 HydrophobicContact CG-CG2 4.5Å
38R96.2Very high95.4Very high33 Ų3329.8 Ų29.813%0.12516%0.163CC..EExtended strand (participates in β ladder)trans-123.8140.2175.5-64.7-176.7-179.2175.5-0.2110.5V31 F40 H52 E53V31-R38 PolarHBondContact N-O 2.82Å; V31-R38 PolarHBondContact O-N 3.2Å; R38-F40 HydrophobicContact CB-CD2 4.37Å; R38-F40 HydrophobicContact CB-CE2 3.56Å; R38-F40 HydrophobicContact CB-CZ 3.73Å; R38-F40 HydrophobicContact CG-CZ 4.4Å; R38-H52 WeakPolarHBondContact CA-O 3.4Å; R38-E53 HydrophobicContact CG-CB 4.19Å; R38-E53 HydrophobicContact CG-CG 4.04Å; R38-E53 IonicContact CZ-OE1 3.17Å; R38-E53 IonicContact CZ-OE2 3.16Å; R38-E53 IonicContact NE-OE1 2.97Å; R38-E53 PolarHBondContact NE-OE1 3Å; R38-E53 IonicContact NE-OE2 2.73Å; R38-E53 PolarHBondContact NE-OE2 2.89Å; R38-E53 VanDerWaalsContact NE-OE2 3.17Å; R38-E53 IonicContact NH2-OE1 2.74Å; R38-E53 PolarHBondContact NH2-OE1 3.36Å; R38-E53 IonicContact NH2-OE2 3.4Å; R38-E53 PolarHBondContact NH2-OE2 2.73Å
39L97.2Very high95.2Very high0 Ų033.2 Ų33.20%018%0.182CC..EExtended strand (participates in β ladder)trans-116.3115176.8-58.1-178000108.8S30 Y37 V51 H52 V63 V72 F88S30-L39 WeakPolarHBondContact OG-CD2 3.47Å; Y37-L39 HydrophobicContact CD2-CD2 4.11Å; Y37-L39 HydrophobicContact CD2-CG 4.11Å; Y37-L39 HydrophobicContact CE2-CD1 4.21Å; Y37-L39 HydrophobicContact CE2-CD2 4.4Å; Y37-L39 HydrophobicContact CE2-CG 4.12Å; L39-V51 WeakPolarHBondContact O-CA 3.37Å; L39-V51 WeakPolarHBondContact O-CB 3.48Å; L39-V51 PolarHBondContact O-N 2.83Å; L39-H52 HydrophobicContact CB-CB 4.5Å; L39-H52 HydrophobicContact CD1-CB 4.34Å; L39-H52 PolarHBondContact N-O 3.46Å; L39-H52 PolarHBondContact O-N 3.48Å; L39-V63 HydrophobicContact CD2-CG2 3.98Å; L39-V72 HydrophobicContact CD1-CB 4.42Å; L39-V72 HydrophobicContact CD1-CG2 4.36Å; L39-V72 HydrophobicContact CD2-CG2 4.34Å; L39-F88 HydrophobicContact CD1-CD1 3.78Å; L39-F88 HydrophobicContact CD1-CE1 3.58Å; L39-F88 HydrophobicContact CD1-CZ 4.18Å
40F97.5Very high95Very high13 Ų1336.3 Ų36.36%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-105.7149.2-179.9-58.3-85.1000112.2S28 L29 V31 R38 L48 D49 C50 L359S28-F40 CarbonylContact C-O 3.52Å; S28-F40 WeakPolarHBondContact CA-O 3.43Å; S28-F40 WeakPolarHBondContact CB-O 3.43Å; S28-F40 PolarHBondContact OG-O 3.28Å; L29-F40 HydrophobicContact CB-CB 4.45Å; L29-F40 PolarHBondContact N-O 3.08Å; L29-F40 PolarHBondContact O-N 2.89Å; V31-F40 HydrophobicContact CB-CE2 4.27Å; V31-F40 HydrophobicContact CG2-CD2 4Å; V31-F40 HydrophobicContact CG2-CE2 3.82Å; R38-F40 HydrophobicContact CB-CD2 4.37Å; R38-F40 HydrophobicContact CB-CE2 3.56Å; R38-F40 HydrophobicContact CB-CZ 3.73Å; R38-F40 HydrophobicContact CG-CZ 4.4Å; F40-L48 HydrophobicContact CB-CD1 3.71Å; F40-L48 HydrophobicContact CB-CG 4.07Å; F40-L48 HydrophobicContact CD1-CD1 4.41Å; F40-L48 HydrophobicContact CD1-CD2 3.93Å; F40-L48 HydrophobicContact CD1-CG 3.81Å; F40-L48 HydrophobicContact CE1-CD2 4.35Å; F40-L48 HydrophobicContact CG-CD1 4.26Å; F40-L48 HydrophobicContact CG-CD2 4.19Å; F40-L48 HydrophobicContact CG-CG 4.13Å; F40-D49 CarbonylContact C-O 3.48Å; F40-D49 VanDerWaalsContact CA-O 3.25Å; F40-D49 WeakPolarHBondContact CA-O 3.49Å; F40-C50 HydrophobicContact CD1-CB 4.05Å; F40-C50 HydrophobicContact CE1-CB 3.96Å; F40-L359 HydrophobicContact CD2-CD2 4.36Å; F40-L359 HydrophobicContact CE2-CD2 4.17Å; F40-L359 WeakPolarHBondContact CZ-O 3.48Å
41S96.9Very high94.9Very high27 Ų2739.3 Ų39.319%0.18922%0.22CC..EExtended strand (participates in β ladder)trans-92.3126.7166.9-174.60000110T43 D49S41-T43 PolarHBondContact OG-OG1 2.96Å; S41-T43 VanDerWaalsContact OG-OG1 3.05Å; S41-D49 PolarHBondContact N-O 3.24Å
42V95.8Very high94.9Very high5 Ų541.3 Ų41.33%0.0323%0.23CC..  trans-111.625.1179.5-63.80000112.1T26 T27 L29 A44 L48 I323 L330 L338T26-V42 WeakPolarHBondContact O-CG2 3.07Å; T27-V42 VanDerWaalsContact C-CG2 3.45Å; T27-V42 WeakPolarHBondContact O-CG2 3.24Å; T27-V42 PolarHBondContact O-N 3.07Å; L29-V42 HydrophobicContact CB-CG1 3.93Å; V42-A44 VanDerWaalsContact C-N 3.3Å; V42-A44 PolarHBondContact O-N 3.21Å; V42-L48 HydrophobicContact CG1-CD1 3.71Å; V42-I323 WeakPolarHBondContact O-CD1 3.46Å; V42-L330 HydrophobicContact CB-CD1 4.05Å; V42-L330 HydrophobicContact CG2-CD1 3.82Å; V42-L338 HydrophobicContact CG1-CD2 3.63Å
43T94.6Very high94.8Very high84 Ų8445 Ų4552%0.51525%0.247SC..SBendtrans-79.4-6.2-179.456.70000114.6T27 S41T27-T43 HydrophobicContact CG2-CG2 4.19Å; S41-T43 PolarHBondContact OG-OG1 2.96Å; S41-T43 VanDerWaalsContact OG-OG1 3.05Å
44A94.9Very high94.6Very high39 Ų3944.8 Ų44.832%0.32225%0.246SC..  trans-125.2154.4175.300000110.6V42V42-A44 VanDerWaalsContact C-N 3.3Å; V42-A44 PolarHBondContact O-N 3.21Å
45V93.8Very high94.3Very high4 Ų445 Ų452%0.02426%0.256CS..SBendtrans-81.5-49.8176.1-179.30000110.5K47 I323 V340 V354 Q355 H357V45-K47 PolarHBondContact O-N 2.87Å; V45-I323 HydrophobicContact CG2-CB 4.45Å; V45-I323 HydrophobicContact CG2-CG2 3.67Å; V45-V340 HydrophobicContact CG1-CG1 4.2Å; V45-V354 HydrophobicContact CG1-CB 4.34Å; V45-V354 HydrophobicContact CG1-CG1 3.71Å; V45-Q355 HydrophobicContact CG1-CB 4.08Å; V45-Q355 WeakPolarHBondContact O-CG 3.15Å; V45-H357 PolarHBondContact O-CE1 3.16Å; V45-H357 PolarHBondContact O-NE2 3.46Å
46D93.6Very high93.8Very high116 Ų11648.9 Ų48.962%0.6227%0.266SS*.SBendtrans-78.5-19.7-162.4-45.4-78.3000113.9Q355D46-Q355 PolarHBondContact O-NE2 2.94Å
47K91.6Very high93.3Very high122 Ų12249.2 Ų49.253%0.5327%0.268SS..  trans-137.3134.7-173.9-171.1-174179.6-143.10110.6V45 D49V45-K47 PolarHBondContact O-N 2.87Å; K47-D49 WeakPolarHBondContact CD-OD2 3.25Å; K47-D49 WeakPolarHBondContact CE-OD1 3.27Å; K47-D49 WeakPolarHBondContact CE-OD2 3.47Å; K47-D49 IonicContact NZ-OD1 3.51Å; K47-D49 PolarHBondContact NZ-OD1 3.19Å; K47-D49 IonicContact NZ-OD2 3.67Å; K47-D49 PolarHBondContact NZ-OD2 3.43Å
48L94.8Very high93.2Very high30 Ų3051.9 Ų51.916%0.15729%0.286CS..  trans-107104.2172.4-176.667.7000109.1F40 V42 L338 H357 L359F40-L48 HydrophobicContact CB-CD1 3.71Å; F40-L48 HydrophobicContact CB-CG 4.07Å; F40-L48 HydrophobicContact CD1-CD1 4.41Å; F40-L48 HydrophobicContact CD1-CD2 3.93Å; F40-L48 HydrophobicContact CD1-CG 3.81Å; F40-L48 HydrophobicContact CE1-CD2 4.35Å; F40-L48 HydrophobicContact CG-CD1 4.26Å; F40-L48 HydrophobicContact CG-CD2 4.19Å; F40-L48 HydrophobicContact CG-CG 4.13Å; V42-L48 HydrophobicContact CG1-CD1 3.71Å; L48-L338 HydrophobicContact CD1-CD2 3.77Å; L48-L338 HydrophobicContact CD2-CD2 4.35Å; L48-H357 HydrophobicContact CB-CB 4.03Å; L48-H357 HydrophobicContact CD2-CB 3.71Å; L48-H357 HydrophobicContact CG-CB 4.46Å; L48-L359 HydrophobicContact CD2-CD2 3.67Å
49D93.8Very high93.1Very high73 Ų7353 Ų5339%0.3929%0.294SS..EExtended strand (participates in β ladder)trans-87.4122.4-177.2-93.2-53.6000111.8F40 S41 K47 V51F40-D49 CarbonylContact C-O 3.48Å; F40-D49 VanDerWaalsContact CA-O 3.25Å; F40-D49 WeakPolarHBondContact CA-O 3.49Å; S41-D49 PolarHBondContact N-O 3.24Å; K47-D49 WeakPolarHBondContact CD-OD2 3.25Å; K47-D49 WeakPolarHBondContact CE-OD1 3.27Å; K47-D49 WeakPolarHBondContact CE-OD2 3.47Å; K47-D49 IonicContact NZ-OD1 3.51Å; K47-D49 PolarHBondContact NZ-OD1 3.19Å; K47-D49 IonicContact NZ-OD2 3.67Å; K47-D49 PolarHBondContact NZ-OD2 3.43Å; D49-V51 PolarHBondContact O-N 2.81Å
50C94.8Very high93.1Very high65 Ų6553 Ų5344%0.43929%0.294SS..EExtended strand (participates in β ladder)trans-73.6114.4167.2-166.90000109.2F40F40-C50 HydrophobicContact CD1-CB 4.05Å; F40-C50 HydrophobicContact CE1-CB 3.96Å
51V95.6Very high93.1Very high62 Ų6254.5 Ų54.538%0.37630%0.3SS..EExtended strand (participates in β ladder)trans-84.6-33.5-178.2-178.60000111.1L39 D49 F88L39-V51 WeakPolarHBondContact O-CA 3.37Å; L39-V51 WeakPolarHBondContact O-CB 3.48Å; L39-V51 PolarHBondContact O-N 2.83Å; D49-V51 PolarHBondContact O-N 2.81Å; V51-F88 HydrophobicContact CG1-CE2 4.25Å; V51-F88 HydrophobicContact CG1-CZ 4.16Å
52H95.8Very high93.1Very high42 Ų4253.9 Ų53.919%0.19429%0.294CS..EExtended strand (participates in β ladder)trans-163.5145.6177175.464.2000110.7Y37 R38 L39 F88Y37-H52 AromaticContact CE2-CD2 3.76Å; Y37-H52 AromaticContact CZ-CD2 3.97Å; Y37-H52 AromaticContact CZ-NE2 3.83Å; Y37-H52 PolarHBondContact OH-NE2 3.05Å; R38-H52 WeakPolarHBondContact CA-O 3.4Å; L39-H52 HydrophobicContact CB-CB 4.5Å; L39-H52 HydrophobicContact CD1-CB 4.34Å; L39-H52 PolarHBondContact N-O 3.46Å; L39-H52 PolarHBondContact O-N 3.48Å; H52-F88 HydrophobicContact CB-CD2 3.54Å; H52-F88 HydrophobicContact CB-CE2 3.71Å; H52-F88 HydrophobicContact CB-CG 4.12Å; H52-F88 HydrophobicContact CB-CZ 4.4Å; H52-F88 AromaticContact CD2-CG 3.79Å; H52-F88 AromaticContact CG-CD2 3.54Å; H52-F88 AromaticContact CG-CG 3.83Å; H52-F88 AromaticContact ND1-CD2 3.97Å
53E94.8Very high93.2Very high77 Ų7753.8 Ų53.836%0.3629%0.294SS..EExtended strand (participates in β ladder)trans-125127.8167.6172.5156.9-152.800108.8Y37 R38 V55Y37-E53 WeakPolarHBondContact O-CA 3.46Å; R38-E53 HydrophobicContact CG-CB 4.19Å; R38-E53 HydrophobicContact CG-CG 4.04Å; R38-E53 IonicContact CZ-OE1 3.17Å; R38-E53 IonicContact CZ-OE2 3.16Å; R38-E53 IonicContact NE-OE1 2.97Å; R38-E53 PolarHBondContact NE-OE1 3Å; R38-E53 IonicContact NE-OE2 2.73Å; R38-E53 PolarHBondContact NE-OE2 2.89Å; R38-E53 VanDerWaalsContact NE-OE2 3.17Å; R38-E53 IonicContact NH2-OE1 2.74Å; R38-E53 PolarHBondContact NH2-OE1 3.36Å; R38-E53 IonicContact NH2-OE2 3.4Å; R38-E53 PolarHBondContact NH2-OE2 2.73Å; E53-V55 HydrophobicContact CG-CG1 4.28Å
54G90.4Very high93.4Very high3 Ų350.5 Ų50.53%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-121108.6-177.500000111G36 Y37G36-G54 CarbonylContact C-O 3.54Å; G36-G54 WeakPolarHBondContact CA-O 3.5Å; Y37-G54 VanDerWaalsContact CD1-O 3.29Å; Y37-G54 WeakPolarHBondContact CD1-O 3.47Å; Y37-G54 PolarHBondContact N-O 3.35Å; Y37-G54 PolarHBondContact O-N 2.81Å
55V86.8Confident93.5Very high100 Ų10049 Ų4961%0.60626%0.259SS*.  trans-96.42.2-179.3-61.70000113.6E53 C57E53-V55 HydrophobicContact CG-CG1 4.28Å; V55-C57 PolarHBondContact O-N 2.93Å
56E80.8Confident93.7Very high126 Ų12649.5 Ų49.559%0.58926%0.261SS*.SBendtrans-64.9-18.9-176.4-63.1174.1-161.400114Y86E56-Y86 WeakPolarHBondContact OE2-CE1 3.35Å
57C84.8Confident93.9Very high7 Ų744.9 Ų44.95%0.04724%0.235CC..SBendtrans-141.7101.6-174-161.30000109.2G36 V55 V60 V74 S76G36-C57 WeakPolarHBondContact CA-O 3.22Å; V55-C57 PolarHBondContact O-N 2.93Å; C57-V60 WeakPolarHBondContact O-CG2 3.45Å; C57-V74 HydrophobicContact CB-CG1 4.35Å; C57-S76 VanDerWaalsContact SG-CB 3.51Å
58P92.3Very high94Very high62 Ų6242 Ų4240%0.40323%0.231SC..SBendtrans-72.1171179.830-35.6000112.3K34 V60 S76K34-P58 CarbonylContact O-C 3.54Å; K34-P58 VanDerWaalsContact O-CA 3.27Å; K34-P58 WeakPolarHBondContact O-CA 3.1Å; K34-P58 WeakPolarHBondContact O-CB 3.45Å; P58-V60 PolarHBondContact O-N 2.81Å; P58-S76 WeakPolarHBondContact O-CB 3.5Å; P58-S76 PolarHBondContact O-OG 2.85Å
59D95.2Very high94.1Very high56 Ų5642.7 Ų42.730%0.29924%0.238SC..SBendtrans51.947.4177.5-66.1-52000114.7I18 T33 K34 Y61 S76 L77I18-D59 HydrophobicContact CD1-CB 4.29Å; T33-D59 CarbonylContact O-C 3.36Å; T33-D59 WeakPolarHBondContact O-CA 3.4Å; T33-D59 PolarHBondContact O-N 2.62Å; K34-D59 PolarHBondContact O-N 2.97Å; D59-Y61 PolarHBondContact O-N 2.94Å; D59-S76 CarbonylContact O-C 3.59Å; D59-S76 VanDerWaalsContact O-CA 3.3Å; D59-S76 WeakPolarHBondContact O-CA 3.42Å; D59-L77 HydrophobicContact CB-CB 3.98Å; D59-L77 HydrophobicContact CB-CD1 4.26Å; D59-L77 HydrophobicContact CB-CG 4.35Å; D59-L77 PolarHBondContact O-N 2.66Å
60V96.8Very high94.2Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-73.4116.7-178.2-178.50000111.3I18 G32 T33 G36 Y37 C57 P58 I62 V63 V74I18-V60 WeakPolarHBondContact CB-O 3.48Å; G32-V60 CarbonylContact C-O 3.59Å; G32-V60 WeakPolarHBondContact CA-O 3.04Å; T33-V60 PolarHBondContact O-N 2.85Å; G36-V60 WeakPolarHBondContact O-CB 3.5Å; G36-V60 VanDerWaalsContact O-CG2 3.28Å; G36-V60 WeakPolarHBondContact O-CG2 3.27Å; Y37-V60 HydrophobicContact CD1-CG2 4.39Å; C57-V60 WeakPolarHBondContact O-CG2 3.45Å; P58-V60 PolarHBondContact O-N 2.81Å; V60-I62 WeakPolarHBondContact CG1-O 3.06Å; V60-V63 HydrophobicContact CG1-CB 3.93Å; V60-V63 HydrophobicContact CG1-CG1 4.34Å; V60-V74 HydrophobicContact CB-CG1 4.45Å; V60-V74 HydrophobicContact CG1-CG1 3.82Å; V60-V74 HydrophobicContact CG2-CG1 3.77Å
61Y96.6Very high94.4Very high44 Ų4437.8 Ų37.817%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-109.8-12175.978.3-82.1000114.1C19 D59 V75 L77 P80 I103C19-Y61 VanDerWaalsContact CB-O 3.26Å; C19-Y61 WeakPolarHBondContact CB-O 3.18Å; C19-Y61 PolarHBondContact SG-O 3.37Å; D59-Y61 PolarHBondContact O-N 2.94Å; Y61-V75 WeakPolarHBondContact CD1-O 3.48Å; Y61-V75 HydrophobicContact CE1-CB 4.09Å; Y61-V75 HydrophobicContact CE1-CG1 3.65Å; Y61-V75 PolarHBondContact N-O 2.85Å; Y61-L77 HydrophobicContact CD1-CB 4.46Å; Y61-L77 HydrophobicContact CD1-CD2 3.44Å; Y61-L77 VanDerWaalsContact CD1-CD2 3.44Å; Y61-L77 HydrophobicContact CD1-CG 3.74Å; Y61-L77 HydrophobicContact CD2-CD2 4.42Å; Y61-L77 HydrophobicContact CE1-CD2 4.03Å; Y61-L77 HydrophobicContact CG-CD2 3.66Å; Y61-L77 HydrophobicContact CG-CG 4.18Å; Y61-P80 HydrophobicContact CE1-CB 4Å; Y61-P80 WeakPolarHBondContact OH-CA 3.48Å; Y61-P80 WeakPolarHBondContact OH-CB 3.26Å; Y61-P80 PolarHBondContact OH-O 2.69Å; Y61-P80 VanDerWaalsContact OH-O 3.13Å; Y61-I103 WeakPolarHBondContact CE2-O 3.26Å; Y61-I103 PolarHBondContact OH-O 3.5Å
62I98.2Very high94.5Very high15 Ų1534.8 Ų34.88%0.07719%0.191CC..EExtended strand (participates in β ladder)trans-130.2121.5165.1-60.5169.3000107.9V60 E64 V74 V75 I103 V106V60-I62 WeakPolarHBondContact CG1-O 3.06Å; I62-E64 HydrophobicContact CG2-CG 3.98Å; I62-V74 CarbonylContact O-C 3.57Å; I62-V74 WeakPolarHBondContact O-CA 3.18Å; I62-V75 HydrophobicContact CB-CB 3.98Å; I62-V75 HydrophobicContact CB-CG2 3.94Å; I62-V75 HydrophobicContact CD1-CB 4.32Å; I62-V75 HydrophobicContact CD1-CG2 4.12Å; I62-V75 HydrophobicContact CG1-CB 4.48Å; I62-V75 HydrophobicContact CG2-CG2 4.31Å; I62-V75 PolarHBondContact N-O 3.42Å; I62-V75 PolarHBondContact O-N 2.99Å; I62-I103 HydrophobicContact CD1-CB 4.45Å; I62-I103 HydrophobicContact CD1-CG2 3.76Å; I62-V106 HydrophobicContact CG2-CB 4.25Å; I62-V106 HydrophobicContact CG2-CG2 4.22Å
63V97.9Very high94.6Very high2 Ų232.8 Ų32.81%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-132.2119.4165.254.10000108.7Y37 L39 V60 V72 V73Y37-V63 HydrophobicContact CD2-CG2 3.66Å; Y37-V63 HydrophobicContact CE2-CG2 4.38Å; Y37-V63 HydrophobicContact CG-CG2 4.03Å; L39-V63 HydrophobicContact CD2-CG2 3.98Å; V60-V63 HydrophobicContact CG1-CB 3.93Å; V60-V63 HydrophobicContact CG1-CG1 4.34Å; V63-V72 HydrophobicContact CG2-CG2 3.64Å; V63-V73 WeakPolarHBondContact CA-O 3.3Å
64E98.1Very high94.8Very high15 Ų1529.1 Ų29.17%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-132.1121.2-176.6-68.7-74.7-161.800110.3S21 I62 V72 V73 V106 K107 L108S21-E64 WeakPolarHBondContact CB-OE2 3.38Å; S21-E64 VanDerWaalsContact OG-CD 3.29Å; S21-E64 PolarHBondContact OG-OE1 3.17Å; S21-E64 PolarHBondContact OG-OE2 2.9Å; I62-E64 HydrophobicContact CG2-CG 3.98Å; E64-V72 WeakPolarHBondContact O-CA 3.44Å; E64-V73 PolarHBondContact N-O 3.38Å; E64-V73 PolarHBondContact O-N 2.85Å; E64-V106 HydrophobicContact CG-CB 4.49Å; E64-K107 IonicContact OE1-NZ 2.68Å; E64-K107 PolarHBondContact OE1-NZ 3.13Å; E64-L108 HydrophobicContact CB-CD1 3.95Å; E64-L108 WeakPolarHBondContact O-CD1 3.31Å
65R97.4Very high95.2Very high9 Ų929 Ų293%0.03416%0.163CC..EExtended strand (participates in β ladder)trans-96.1143.1178.5-166-177.3-179.9-179.2-3.3110.5Q24 S28 F67 S68 S69Q24-R65 PolarHBondContact NE2-O 3.25Å; Q24-R65 PolarHBondContact OE1-O 3.29Å; S28-R65 PolarHBondContact OG-NH1 3.08Å; R65-F67 WeakPolarHBondContact CD-O 3.09Å; R65-F67 WeakPolarHBondContact CG-O 3.28Å; R65-F67 PolarHBondContact O-N 3.33Å; R65-S68 PolarHBondContact NH2-O 2.85Å; R65-S69 PolarHBondContact NE-O 2.89Å; R65-S69 PolarHBondContact NH2-O 2.87Å
66L97.9Very high95.7Very high14 Ų1424.2 Ų24.27%0.07313%0.134CC..  trans-85.697.7171.1179.266.5000109.8S68 S69 L71 L108 N109 I126L66-S68 PolarHBondContact O-N 2.97Å; L66-S69 WeakPolarHBondContact O-CB 3.41Å; L66-S69 PolarHBondContact O-N 3.4Å; L66-S69 PolarHBondContact O-OG 2.92Å; L66-L71 HydrophobicContact CB-CB 4.3Å; L66-L71 HydrophobicContact CB-CD2 4.12Å; L66-L71 HydrophobicContact CD2-CD1 4.4Å; L66-L71 PolarHBondContact N-O 3.35Å; L66-L108 HydrophobicContact CB-CD1 4.37Å; L66-L108 HydrophobicContact CD1-CB 4.09Å; L66-N109 WeakPolarHBondContact CD1-O 3.43Å; L66-I126 HydrophobicContact CD2-CD1 4.36Å; L66-I126 HydrophobicContact CD2-CG1 3.88Å
67F97.2Very high96.4Very high19 Ų1922.8 Ų22.88%0.08313%0.13CC..THydrogen-bonded Turntrans49.7-133.2-174.4-60.4-100.1000110.6N23 Q24 D25 R65 R110 V150N23-F67 PolarHBondContact ND2-O 3.36Å; Q24-F67 HydrophobicContact CB-CD1 4Å; Q24-F67 HydrophobicContact CB-CE1 3.69Å; Q24-F67 HydrophobicContact CB-CE2 4.31Å; Q24-F67 HydrophobicContact CB-CG 4.45Å; Q24-F67 HydrophobicContact CB-CZ 3.86Å; Q24-F67 HydrophobicContact CG-CE1 4.45Å; Q24-F67 HydrophobicContact CG-CE2 4.2Å; Q24-F67 HydrophobicContact CG-CZ 4.16Å; Q24-F67 VanDerWaalsContact OE1-CA 3.32Å; D25-F67 HydrophobicContact CB-CD1 4.18Å; D25-F67 WeakPolarHBondContact OD2-CD1 3.33Å; R65-F67 WeakPolarHBondContact CD-O 3.09Å; R65-F67 WeakPolarHBondContact CG-O 3.28Å; R65-F67 PolarHBondContact O-N 3.33Å; F67-R110 HydrophobicContact CD2-CG 4.1Å; F67-R110 HydrophobicContact CE2-CG 3.52Å; F67-R110 HydrophobicContact CZ-CG 4.05Å; F67-V150 HydrophobicContact CE1-CG1 3.68Å; F67-V150 HydrophobicContact CZ-CG1 3.73Å
68S94.6Very high96.9Very high62 Ų6226 Ų2643%0.43415%0.152SC..THydrogen-bonded Turntrans-93.214.3170.8-830000114T27 R65 L66T27-S68 PolarHBondContact OG1-OG 3.27Å; R65-S68 PolarHBondContact NH2-O 2.85Å; L66-S68 PolarHBondContact O-N 2.97Å
69S96.6Very high97.1Very high44 Ų4426.6 Ų26.631%0.30815%0.151SC..SBendtrans-69.1175.5179790000113.3R65 L66 L71R65-S69 PolarHBondContact NE-O 2.89Å; R65-S69 PolarHBondContact NH2-O 2.87Å; L66-S69 WeakPolarHBondContact O-CB 3.41Å; L66-S69 PolarHBondContact O-N 3.4Å; L66-S69 PolarHBondContact O-OG 2.92Å; S69-L71 VanDerWaalsContact C-N 3.25Å; S69-L71 PolarHBondContact O-N 2.84Å; S69-L71 PolarHBondContact OG-N 3.2Å
70S96.8Very high97.2Very high21 Ų2125.4 Ų25.415%0.14715%0.146CC..SBendtrans-77.2-4.8173-47.80000114.1H87 F88 K89S70-H87 WeakPolarHBondContact CB-CE1 3.15Å; S70-H87 CarbonylContact O-C 3.58Å; S70-H87 WeakPolarHBondContact O-CA 3.49Å; S70-F88 WeakPolarHBondContact O-CD1 3.32Å; S70-F88 PolarHBondContact O-N 2.92Å; S70-K89 WeakPolarHBondContact OG-CD 3.34Å; S70-K89 WeakPolarHBondContact OG-CG 3.36Å
71L97.8Very high97.3Very high13 Ų1332 Ų327%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-90.6124-174.4-169.6156.5000110.6L66 S69 V73 V85 Y86 I94 I126 M129L66-L71 HydrophobicContact CB-CB 4.3Å; L66-L71 HydrophobicContact CB-CD2 4.12Å; L66-L71 HydrophobicContact CD2-CD1 4.4Å; L66-L71 PolarHBondContact N-O 3.35Å; S69-L71 VanDerWaalsContact C-N 3.25Å; S69-L71 PolarHBondContact O-N 2.84Å; S69-L71 PolarHBondContact OG-N 3.2Å; L71-V73 HydrophobicContact CD2-CG2 4.31Å; L71-V85 HydrophobicContact CD2-CG1 3.97Å; L71-V85 HydrophobicContact CG-CG1 4.14Å; L71-Y86 WeakPolarHBondContact CA-O 3.39Å; L71-I94 HydrophobicContact CD1-CD1 4.18Å; L71-I94 HydrophobicContact CG-CD1 4.33Å; L71-I126 HydrophobicContact CD1-CD1 4.49Å; L71-I126 HydrophobicContact CD2-CD1 4.42Å; L71-M129 HydrophobicContact CD1-CE 3.75Å
72V97.8Very high97.3Very high0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-132.6139177.563.40000110.5Y37 L39 V63 E64 V74 Y86 F88Y37-V72 HydrophobicContact CD2-CG2 4.49Å; Y37-V72 HydrophobicContact CE2-CG1 4.05Å; Y37-V72 HydrophobicContact CE2-CG2 3.98Å; Y37-V72 WeakPolarHBondContact OH-CG1 3.29Å; L39-V72 HydrophobicContact CD1-CB 4.42Å; L39-V72 HydrophobicContact CD1-CG2 4.36Å; L39-V72 HydrophobicContact CD2-CG2 4.34Å; V63-V72 HydrophobicContact CG2-CG2 3.64Å; E64-V72 WeakPolarHBondContact O-CA 3.44Å; V72-V74 HydrophobicContact CG2-CG2 4.17Å; V72-Y86 PolarHBondContact N-O 2.89Å; V72-Y86 PolarHBondContact O-N 2.93Å; V72-F88 HydrophobicContact CB-CD1 4.47Å; V72-F88 HydrophobicContact CG1-CB 4.47Å; V72-F88 HydrophobicContact CG1-CD1 4.13Å
73V98.3Very high97.3Very high0 Ų032.6 Ų32.60%017%0.172CC..EExtended strand (participates in β ladder)trans-106.2134.8172.8-179.20000109.1V63 E64 L71 M83 N84 V85 V106 L108 L113V63-V73 WeakPolarHBondContact CA-O 3.3Å; E64-V73 PolarHBondContact N-O 3.38Å; E64-V73 PolarHBondContact O-N 2.85Å; L71-V73 HydrophobicContact CD2-CG2 4.31Å; V73-M83 HydrophobicContact CG1-CG 3.32Å; V73-M83 HydrophobicContact CG1-SD 3.65Å; V73-N84 WeakPolarHBondContact CA-O 3.36Å; V73-V85 HydrophobicContact CG2-CG1 4.12Å; V73-V85 HydrophobicContact CG2-CG2 4.18Å; V73-V106 HydrophobicContact CG1-CG1 4.13Å; V73-V106 HydrophobicContact CG1-CG2 4.36Å; V73-L108 HydrophobicContact CG2-CD1 3.93Å; V73-L108 HydrophobicContact CG2-CD2 4.01Å; V73-L113 HydrophobicContact CG2-CD1 4.07Å
74V98.3Very high97.3Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-132.5134.5-174.3-176.90000110.6Y37 C57 V60 I62 V72 N84 Y86Y37-V74 HydrophobicContact CD1-CG1 4.36Å; Y37-V74 HydrophobicContact CD1-CG2 4.03Å; Y37-V74 HydrophobicContact CE1-CG2 3.76Å; Y37-V74 HydrophobicContact CE2-CG2 4.44Å; Y37-V74 HydrophobicContact CG-CG2 4.5Å; C57-V74 HydrophobicContact CB-CG1 4.35Å; V60-V74 HydrophobicContact CB-CG1 4.45Å; V60-V74 HydrophobicContact CG1-CG1 3.82Å; V60-V74 HydrophobicContact CG2-CG1 3.77Å; I62-V74 CarbonylContact O-C 3.57Å; I62-V74 WeakPolarHBondContact O-CA 3.18Å; V72-V74 HydrophobicContact CG2-CG2 4.17Å; V74-N84 PolarHBondContact N-O 3.35Å; V74-N84 PolarHBondContact O-N 3.39Å; V74-Y86 HydrophobicContact CB-CD2 4.35Å; V74-Y86 HydrophobicContact CB-CE2 4.04Å; V74-Y86 HydrophobicContact CG2-CD2 3.97Å; V74-Y86 HydrophobicContact CG2-CE2 4.09Å
75V98.4Very high97.2Very high0 Ų031.8 Ų31.80%017%0.168CC..EExtended strand (participates in β ladder)trans-131.8131.1170.4-162.60000109.9Y61 I62 I103Y61-V75 WeakPolarHBondContact CD1-O 3.48Å; Y61-V75 HydrophobicContact CE1-CB 4.09Å; Y61-V75 HydrophobicContact CE1-CG1 3.65Å; Y61-V75 PolarHBondContact N-O 2.85Å; I62-V75 HydrophobicContact CB-CB 3.98Å; I62-V75 HydrophobicContact CB-CG2 3.94Å; I62-V75 HydrophobicContact CD1-CB 4.32Å; I62-V75 HydrophobicContact CD1-CG2 4.12Å; I62-V75 HydrophobicContact CG1-CB 4.48Å; I62-V75 HydrophobicContact CG2-CG2 4.31Å; I62-V75 PolarHBondContact N-O 3.42Å; I62-V75 PolarHBondContact O-N 2.99Å; V75-I103 HydrophobicContact CG1-CB 4.4Å; V75-I103 HydrophobicContact CG1-CD1 3.9Å; V75-I103 HydrophobicContact CG2-CD1 3.93Å; V75-I103 HydrophobicContact CG2-CG2 4.29Å
76S97.3Very high97.2Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-108.5147.4-177.7166.50000112C57 P58 D59 S78 M79 P80C57-S76 VanDerWaalsContact SG-CB 3.51Å; P58-S76 WeakPolarHBondContact O-CB 3.5Å; P58-S76 PolarHBondContact O-OG 2.85Å; D59-S76 CarbonylContact O-C 3.59Å; D59-S76 VanDerWaalsContact O-CA 3.3Å; D59-S76 WeakPolarHBondContact O-CA 3.42Å; S76-S78 PolarHBondContact O-N 2.57Å; S76-S78 PolarHBondContact OG-N 2.86Å; S76-S78 VanDerWaalsContact OG-N 3.12Å; S76-S78 PolarHBondContact OG-OG 3.34Å; S76-M79 CarbonylContact O-C 3.33Å; S76-M79 PolarHBondContact O-N 3.12Å; S76-P80 WeakPolarHBondContact O-CA 3.3Å; S76-P80 VanDerWaalsContact O-N 3.11Å
77L96.2Very high97.2Very high95 Ų9533.6 Ų33.650%0.49718%0.176SC..THydrogen-bonded Turntrans-62.9-19.5174.2-62.1171.4000112.6I18 D59 Y61 P80I18-L77 HydrophobicContact CD1-CD1 4.29Å; I18-L77 HydrophobicContact CG2-CD1 4.49Å; D59-L77 HydrophobicContact CB-CB 3.98Å; D59-L77 HydrophobicContact CB-CD1 4.26Å; D59-L77 HydrophobicContact CB-CG 4.35Å; D59-L77 PolarHBondContact O-N 2.66Å; Y61-L77 HydrophobicContact CD1-CB 4.46Å; Y61-L77 HydrophobicContact CD1-CD2 3.44Å; Y61-L77 VanDerWaalsContact CD1-CD2 3.44Å; Y61-L77 HydrophobicContact CD1-CG 3.74Å; Y61-L77 HydrophobicContact CD2-CD2 4.42Å; Y61-L77 HydrophobicContact CE1-CD2 4.03Å; Y61-L77 HydrophobicContact CG-CD2 3.66Å; Y61-L77 HydrophobicContact CG-CG 4.18Å; L77-P80 WeakPolarHBondContact O-CD 3.2Å
78S95.3Very high97.1Very high75 Ų7533.7 Ų33.752%0.52418%0.176SC..THydrogen-bonded Turntrans-72.2-27.9171.468.30000113.2S76S76-S78 PolarHBondContact O-N 2.57Å; S76-S78 PolarHBondContact OG-N 2.86Å; S76-S78 VanDerWaalsContact OG-N 3.12Å; S76-S78 PolarHBondContact OG-OG 3.34Å
79M96.4Very high97.1Very high75 Ų7537.2 Ų37.237%0.36918%0.184SC..SBendtrans-139.158.5-178.4-61.5-166-68.500111.4S76 R81 R82S76-M79 CarbonylContact O-C 3.33Å; S76-M79 PolarHBondContact O-N 3.12Å; M79-R81 PolarHBondContact O-N 2.74Å; M79-R82 HydrophobicContact CB-CB 4.13Å; M79-R82 PolarHBondContact O-N 3.31Å
80P97.6Very high97Very high31 Ų3142 Ų4220%0.20120%0.199CC..THydrogen-bonded Turntrans-67.3-6.9-168.228.2-36.6000114.3Y61 S76 L77 N102 I103Y61-P80 HydrophobicContact CE1-CB 4Å; Y61-P80 WeakPolarHBondContact OH-CA 3.48Å; Y61-P80 WeakPolarHBondContact OH-CB 3.26Å; Y61-P80 PolarHBondContact OH-O 2.69Å; Y61-P80 VanDerWaalsContact OH-O 3.13Å; S76-P80 WeakPolarHBondContact O-CA 3.3Å; S76-P80 VanDerWaalsContact O-N 3.11Å; L77-P80 WeakPolarHBondContact O-CD 3.2Å; P80-N102 HydrophobicContact CB-CB 4.27Å; P80-N102 WeakPolarHBondContact CG-OD1 3.3Å; P80-N102 WeakPolarHBondContact O-CA 3.34Å; P80-I103 PolarHBondContact O-N 2.95Å
81R98.3Very high96.8Very high138 Ų13843.8 Ų43.852%0.52122%0.221SC..THydrogen-bonded Turntrans-98.8-6.9175.4-59.4-169.1-73.9170.3-2.6113.6M79 S98 Y99 S100 N102M79-R81 PolarHBondContact O-N 2.74Å; R81-S98 CarbonylContact O-C 3.51Å; R81-S98 WeakPolarHBondContact O-CA 3.17Å; R81-Y99 PolarHBondContact O-N 3.17Å; R81-S100 WeakPolarHBondContact CD-O 3.39Å; R81-S100 PolarHBondContact NH1-O 2.91Å; R81-N102 VanDerWaalsContact CG-OD1 3.24Å; R81-N102 WeakPolarHBondContact CG-OD1 3.49Å
82R97.9Very high96.7Very high70 Ų7046.2 Ų46.226%0.26424%0.236SC..EExtended strand (participates in β ladder)trans-111.7112.1-176.2-179.7175.3160.9164.9-2.3110.6M79 N84 E93 N96 Y97M79-R82 HydrophobicContact CB-CB 4.13Å; M79-R82 PolarHBondContact O-N 3.31Å; R82-N84 PolarHBondContact NE-OD1 2.88Å; R82-N84 PolarHBondContact NH2-OD1 3.06Å; R82-E93 IonicContact NH2-OE1 2.63Å; R82-E93 PolarHBondContact NH2-OE1 2.76Å; R82-E93 IonicContact NH2-OE2 3.38Å; R82-N96 HydrophobicContact CG-CB 4.13Å; R82-N96 VanDerWaalsContact CZ-CG 3.46Å; R82-N96 PolarHBondContact NH2-ND2 3.06Å; R82-Y97 CarbonylContact C-O 3.56Å; R82-Y97 WeakPolarHBondContact CA-O 3.18Å
83M97.6Very high96.6Very high1 Ų150 Ų501%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-80.5130.2167.7-174.9-179.670.600108.8V73 V85 N96 Y97 Y99 I103 V106 L113 V115V73-M83 HydrophobicContact CG1-CG 3.32Å; V73-M83 HydrophobicContact CG1-SD 3.65Å; M83-V85 HydrophobicContact CE-CG2 3.92Å; M83-V85 HydrophobicContact CG-CG2 4.43Å; M83-N96 CarbonylContact O-C 3.56Å; M83-N96 WeakPolarHBondContact O-CA 3.35Å; M83-N96 WeakPolarHBondContact O-CB 3.21Å; M83-Y97 HydrophobicContact CE-CD2 3.76Å; M83-Y97 HydrophobicContact CE-CG 4.37Å; M83-Y97 PolarHBondContact N-O 2.91Å; M83-Y97 PolarHBondContact O-N 2.99Å; M83-Y99 HydrophobicContact CB-CE2 3.89Å; M83-I103 HydrophobicContact CB-CD1 3.78Å; M83-V106 HydrophobicContact SD-CG1 4.43Å; M83-V106 HydrophobicContact SD-CG2 4.34Å; M83-L113 HydrophobicContact CE-CD1 3.95Å; M83-L113 HydrophobicContact CE-CD2 3.78Å; M83-L113 HydrophobicContact SD-CD1 4.09Å; M83-L113 HydrophobicContact SD-CD2 3.83Å; M83-L113 HydrophobicContact SD-CG 4.45Å; M83-V115 HydrophobicContact CE-CG2 4.35Å; M83-V115 HydrophobicContact SD-CG2 3.69Å
84N97.3Very high96.5Very high1 Ų153 Ų531%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-114.7138.8172-51.1-73.8000108.9V73 V74 R82 Y86 N96V73-N84 WeakPolarHBondContact CA-O 3.36Å; V74-N84 PolarHBondContact N-O 3.35Å; V74-N84 PolarHBondContact O-N 3.39Å; R82-N84 PolarHBondContact NE-OD1 2.88Å; R82-N84 PolarHBondContact NH2-OD1 3.06Å; N84-Y86 HydrophobicContact CB-CD2 4.32Å; N84-Y86 HydrophobicContact CB-CE2 3.45Å; N84-Y86 VanDerWaalsContact CB-CE2 3.45Å; N84-N96 WeakPolarHBondContact OD1-CB 3.3Å
85V97.5Very high96.4Very high0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-122.1121.8-178.5-167.60000108.6L71 V73 M83 I94 C95 M129L71-V85 HydrophobicContact CD2-CG1 3.97Å; L71-V85 HydrophobicContact CG-CG1 4.14Å; V73-V85 HydrophobicContact CG2-CG1 4.12Å; V73-V85 HydrophobicContact CG2-CG2 4.18Å; M83-V85 HydrophobicContact CE-CG2 3.92Å; M83-V85 HydrophobicContact CG-CG2 4.43Å; V85-I94 HydrophobicContact CG1-CD1 4.2Å; V85-I94 WeakPolarHBondContact O-CB 3.37Å; V85-I94 PolarHBondContact O-N 2.96Å; V85-C95 PolarHBondContact N-O 2.94Å; V85-C95 PolarHBondContact O-N 2.91Å; V85-M129 HydrophobicContact CG1-CE 4.15Å
86Y96.8Very high96.3Very high19 Ų1957.1 Ų57.18%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-119.4150.7-174.5-59.5-89.1000112E56 L71 V72 V74 N84 E93E56-Y86 WeakPolarHBondContact OE2-CE1 3.35Å; L71-Y86 WeakPolarHBondContact CA-O 3.39Å; V72-Y86 PolarHBondContact N-O 2.89Å; V72-Y86 PolarHBondContact O-N 2.93Å; V74-Y86 HydrophobicContact CB-CD2 4.35Å; V74-Y86 HydrophobicContact CB-CE2 4.04Å; V74-Y86 HydrophobicContact CG2-CD2 3.97Å; V74-Y86 HydrophobicContact CG2-CE2 4.09Å; N84-Y86 HydrophobicContact CB-CD2 4.32Å; N84-Y86 HydrophobicContact CB-CE2 3.45Å; N84-Y86 VanDerWaalsContact CB-CE2 3.45Å; Y86-E93 HydrophobicContact CD1-CB 3.96Å; Y86-E93 HydrophobicContact CD1-CG 4.33Å; Y86-E93 HydrophobicContact CE1-CB 3.87Å; Y86-E93 HydrophobicContact CE1-CG 4.06Å
87H96.8Very high96.3Very high42 Ų4260.6 Ų60.619%0.19431%0.307CS..EExtended strand (participates in β ladder)trans-104.985.3164-173.9-63.8000109.1S70 K89 K90 G91 T92 I94S70-H87 WeakPolarHBondContact CB-CE1 3.15Å; S70-H87 CarbonylContact O-C 3.58Å; S70-H87 WeakPolarHBondContact O-CA 3.49Å; H87-K89 VanDerWaalsContact C-N 3.33Å; H87-K89 PolarHBondContact O-N 2.85Å; H87-K90 HydrophobicContact CB-CB 4.42Å; H87-K90 VanDerWaalsContact CE1-CG 3.47Å; H87-K90 WeakPolarHBondContact CE1-CG 3.4Å; H87-K90 WeakPolarHBondContact ND1-CB 3.27Å; H87-K90 WeakPolarHBondContact ND1-CG 3.33Å; H87-K90 PolarHBondContact ND1-N 3.34Å; H87-K90 WeakPolarHBondContact O-CA 3.36Å; H87-K90 PolarHBondContact O-N 2.89Å; H87-G91 PolarHBondContact O-N 3.21Å; H87-T92 PolarHBondContact N-O 2.83Å; H87-I94 HydrophobicContact CB-CD1 4.06Å; H87-I94 HydrophobicContact CB-CG1 4.13Å
88F95.2Very high96.4Very high20 Ų2060.3 Ų60.39%0.08831%0.312CS..G310 helixtrans-58.9-38.2-165.369.2-102000113.9L39 V51 H52 S70 V72 K90 G91L39-F88 HydrophobicContact CD1-CD1 3.78Å; L39-F88 HydrophobicContact CD1-CE1 3.58Å; L39-F88 HydrophobicContact CD1-CZ 4.18Å; V51-F88 HydrophobicContact CG1-CE2 4.25Å; V51-F88 HydrophobicContact CG1-CZ 4.16Å; H52-F88 HydrophobicContact CB-CD2 3.54Å; H52-F88 HydrophobicContact CB-CE2 3.71Å; H52-F88 HydrophobicContact CB-CG 4.12Å; H52-F88 HydrophobicContact CB-CZ 4.4Å; H52-F88 AromaticContact CD2-CG 3.79Å; H52-F88 AromaticContact CG-CD2 3.54Å; H52-F88 AromaticContact CG-CG 3.83Å; H52-F88 AromaticContact ND1-CD2 3.97Å; S70-F88 WeakPolarHBondContact O-CD1 3.32Å; S70-F88 PolarHBondContact O-N 2.92Å; V72-F88 HydrophobicContact CB-CD1 4.47Å; V72-F88 HydrophobicContact CG1-CB 4.47Å; V72-F88 HydrophobicContact CG1-CD1 4.13Å; F88-K90 PolarHBondContact O-N 2.99Å; F88-G91 PolarHBondContact O-N 2.91Å; F88-G91 VanDerWaalsContact O-N 3.13Å
89K95.2Very high96.5Very high136 Ų13657.6 Ų57.659%0.59129%0.291SS*.G310 helixtrans-61.1-9.7174.1-70.5-163.1-171.7179.70114.8S70 H87S70-K89 WeakPolarHBondContact OG-CD 3.34Å; S70-K89 WeakPolarHBondContact OG-CG 3.36Å; H87-K89 VanDerWaalsContact C-N 3.33Å; H87-K89 PolarHBondContact O-N 2.85Å
90K95.5Very high96.5Very high145 Ų14557.8 Ų57.863%0.6330%0.3SS*.G310 helixtrans-113.4-11.2177.7-76.9173.4-174.5171.30113.3H87 F88 T92H87-K90 HydrophobicContact CB-CB 4.42Å; H87-K90 VanDerWaalsContact CE1-CG 3.47Å; H87-K90 WeakPolarHBondContact CE1-CG 3.4Å; H87-K90 WeakPolarHBondContact ND1-CB 3.27Å; H87-K90 WeakPolarHBondContact ND1-CG 3.33Å; H87-K90 PolarHBondContact ND1-N 3.34Å; H87-K90 WeakPolarHBondContact O-CA 3.36Å; H87-K90 PolarHBondContact O-N 2.89Å; F88-K90 PolarHBondContact O-N 2.99Å; K90-T92 VanDerWaalsContact C-N 3.32Å; K90-T92 HydrophobicContact CB-CG2 4.21Å
91G92.8Very high96.5Very high58 Ų5859.6 Ų59.660%0.59831%0.308SS*.THydrogen-bonded Turntrans63.633.5-172.500000113.9H87 F88H87-G91 PolarHBondContact O-N 3.21Å; F88-G91 PolarHBondContact O-N 2.91Å; F88-G91 VanDerWaalsContact O-N 3.13Å
92T94.6Very high96.5Very high64 Ų6456.1 Ų56.139%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-124.8127.3-175.957.50000112.4H87 K90 I94H87-T92 PolarHBondContact N-O 2.83Å; K90-T92 VanDerWaalsContact C-N 3.32Å; K90-T92 HydrophobicContact CB-CG2 4.21Å; T92-I94 PolarHBondContact O-N 2.91Å
93E95.4Very high96.5Very high81 Ų8152.8 Ų52.838%0.37929%0.287SS..EExtended strand (participates in β ladder)trans-62124.9156.5-168-178.3148.200108.4R82 Y86 N96R82-E93 IonicContact NH2-OE1 2.63Å; R82-E93 PolarHBondContact NH2-OE1 2.76Å; R82-E93 IonicContact NH2-OE2 3.38Å; Y86-E93 HydrophobicContact CD1-CB 3.96Å; Y86-E93 HydrophobicContact CD1-CG 4.33Å; Y86-E93 HydrophobicContact CE1-CB 3.87Å; Y86-E93 HydrophobicContact CE1-CG 4.06Å; E93-N96 VanDerWaalsContact OE1-CB 3.31Å; E93-N96 WeakPolarHBondContact OE1-CB 3.08Å; E93-N96 PolarHBondContact OE1-ND2 2.84Å
94I96Very high96.6Very high61 Ų6155.2 Ų55.231%0.31330%0.3SS..EExtended strand (participates in β ladder)trans-79.1-47.5173.7-61.1170.8000108.9L71 V85 H87 T92L71-I94 HydrophobicContact CD1-CD1 4.18Å; L71-I94 HydrophobicContact CG-CD1 4.33Å; V85-I94 HydrophobicContact CG1-CD1 4.2Å; V85-I94 WeakPolarHBondContact O-CB 3.37Å; V85-I94 PolarHBondContact O-N 2.96Å; H87-I94 HydrophobicContact CB-CD1 4.06Å; H87-I94 HydrophobicContact CB-CG1 4.13Å; T92-I94 PolarHBondContact O-N 2.91Å
95C96.4Very high96.6Very high26 Ų2655.8 Ų55.818%0.17630%0.304CS..EExtended strand (participates in β ladder)trans-168.8166179.757.70000111.2V85 Y97V85-C95 PolarHBondContact N-O 2.94Å; V85-C95 PolarHBondContact O-N 2.91Å; C95-Y97 HydrophobicContact CB-CE2 4.2Å
96N96.3Very high96.7Very high62 Ų6255.9 Ų55.933%0.33230%0.304SS..EExtended strand (participates in β ladder)trans-128.6153.4162.663.192.5000111R82 M83 N84 E93R82-N96 HydrophobicContact CG-CB 4.13Å; R82-N96 VanDerWaalsContact CZ-CG 3.46Å; R82-N96 PolarHBondContact NH2-ND2 3.06Å; M83-N96 CarbonylContact O-C 3.56Å; M83-N96 WeakPolarHBondContact O-CA 3.35Å; M83-N96 WeakPolarHBondContact O-CB 3.21Å; N84-N96 WeakPolarHBondContact OD1-CB 3.3Å; E93-N96 VanDerWaalsContact OE1-CB 3.31Å; E93-N96 WeakPolarHBondContact OE1-CB 3.08Å; E93-N96 PolarHBondContact OE1-ND2 2.84Å
97Y97.5Very high96.8Very high73 Ų7357.8 Ų57.829%0.28631%0.313SS..EExtended strand (participates in β ladder)trans-130.9132.9173.3-71.7-87.7000109.7R82 M83 C95 Y99 M129R82-Y97 CarbonylContact C-O 3.56Å; R82-Y97 WeakPolarHBondContact CA-O 3.18Å; M83-Y97 HydrophobicContact CE-CD2 3.76Å; M83-Y97 HydrophobicContact CE-CG 4.37Å; M83-Y97 PolarHBondContact N-O 2.91Å; M83-Y97 PolarHBondContact O-N 2.99Å; C95-Y97 HydrophobicContact CB-CE2 4.2Å; Y97-Y99 WeakPolarHBondContact CB-OH 3.5Å; Y97-M129 HydrophobicContact CE2-CB 3.98Å; Y97-M129 PolarHBondContact OH-O 2.81Å; Y97-M129 VanDerWaalsContact OH-O 3.12Å
98S97.8Very high96.9Very high88 Ų8856.1 Ų56.162%0.61531%0.305SS*.EExtended strand (participates in β ladder)trans-105.6128.8174.8-64.30000110.4R81R81-S98 CarbonylContact O-C 3.51Å; R81-S98 WeakPolarHBondContact O-CA 3.17Å
99Y98.1Very high97Very high18 Ų1855.2 Ų55.27%0.07130%0.301CS..  trans-107.4167.5-178.6-57.3-88.8000111.3R81 M83 Y97 I103 V115 L117 Y122 H124R81-Y99 PolarHBondContact O-N 3.17Å; M83-Y99 HydrophobicContact CB-CE2 3.89Å; Y97-Y99 WeakPolarHBondContact CB-OH 3.5Å; Y99-I103 HydrophobicContact CD2-CD1 3.87Å; Y99-I103 HydrophobicContact CD2-CG1 3.89Å; Y99-I103 HydrophobicContact CE2-CD1 4.21Å; Y99-I103 HydrophobicContact CE2-CG1 4.48Å; Y99-V115 HydrophobicContact CD2-CG1 4.34Å; Y99-V115 HydrophobicContact CE1-CB 4.47Å; Y99-V115 HydrophobicContact CE1-CG1 4.49Å; Y99-V115 HydrophobicContact CE2-CG1 4.07Å; Y99-V115 HydrophobicContact CE2-CG2 4.34Å; Y99-L117 HydrophobicContact CD1-CD1 4.38Å; Y99-L117 HydrophobicContact CG-CD1 4.27Å; Y99-Y122 HydrophobicContact CD1-CD1 4.01Å; Y99-Y122 AromaticContact CD1-CD2 3.96Å; Y99-Y122 HydrophobicContact CD1-CD2 3.96Å; Y99-Y122 HydrophobicContact CD1-CE1 4.11Å; Y99-Y122 HydrophobicContact CD1-CE2 4.07Å; Y99-Y122 AromaticContact CD1-CG 3.94Å; Y99-Y122 HydrophobicContact CD1-CG 3.94Å; Y99-Y122 AromaticContact CE1-CD1 3.91Å; Y99-Y122 HydrophobicContact CE1-CD1 3.91Å; Y99-Y122 HydrophobicContact CE1-CD2 4.26Å; Y99-Y122 HydrophobicContact CE1-CE1 4.43Å; Y99-Y122 AromaticContact CE1-CG 3.82Å; Y99-Y122 HydrophobicContact CE1-CG 3.82Å; Y99-H124 AromaticContact CE1-CE1 3.92Å; Y99-H124 AromaticContact CE1-NE2 3.88Å; Y99-H124 AromaticContact CZ-CE1 3.9Å; Y99-H124 AromaticContact CZ-NE2 3.86Å; Y99-H124 PolarHBondContact OH-CE1 2.98Å; Y99-H124 PolarHBondContact OH-NE2 2.92Å
100S96.1Very high97Very high80 Ų8055.3 Ų55.356%0.55930%0.298SS*.SBendtrans-65.7-46.8-175.447.50000113.1R81R81-S100 WeakPolarHBondContact CD-O 3.39Å; R81-S100 PolarHBondContact NH1-O 2.91Å
101N97.4Very high97.1Very high68 Ų6851 Ų5136%0.36428%0.28SS..SBendtrans-121175178.3-161.33000110.4L117N101-L117 HydrophobicContact CB-CD2 4.02Å
102N98.3Very high97.4Very high65 Ų6549.4 Ų49.435%0.34826%0.256SS..  trans-60.4138.8-176.4-65.7-12.4000112P80 R81 L104P80-N102 HydrophobicContact CB-CB 4.27Å; P80-N102 WeakPolarHBondContact CG-OD1 3.3Å; P80-N102 WeakPolarHBondContact O-CA 3.34Å; R81-N102 VanDerWaalsContact CG-OD1 3.24Å; R81-N102 WeakPolarHBondContact CG-OD1 3.49Å; N102-L104 PolarHBondContact O-N 3.2Å
103I98.8Very high97.6Very high0 Ų046.4 Ų46.40%024%0.238CC..  trans-74.7121.9172.9-58.2158.2000107.4Y61 I62 V75 P80 M83 Y99 V106 V115Y61-I103 WeakPolarHBondContact CE2-O 3.26Å; Y61-I103 PolarHBondContact OH-O 3.5Å; I62-I103 HydrophobicContact CD1-CB 4.45Å; I62-I103 HydrophobicContact CD1-CG2 3.76Å; V75-I103 HydrophobicContact CG1-CB 4.4Å; V75-I103 HydrophobicContact CG1-CD1 3.9Å; V75-I103 HydrophobicContact CG2-CD1 3.93Å; V75-I103 HydrophobicContact CG2-CG2 4.29Å; P80-I103 PolarHBondContact O-N 2.95Å; M83-I103 HydrophobicContact CB-CD1 3.78Å; Y99-I103 HydrophobicContact CD2-CD1 3.87Å; Y99-I103 HydrophobicContact CD2-CG1 3.89Å; Y99-I103 HydrophobicContact CE2-CD1 4.21Å; Y99-I103 HydrophobicContact CE2-CG1 4.48Å; I103-V106 HydrophobicContact CG2-CG2 3.79Å; I103-V115 HydrophobicContact CB-CG1 4.34Å; I103-V115 HydrophobicContact CG1-CG1 3.94Å; I103-V115 HydrophobicContact CG2-CG1 3.63Å
104L98.6Very high97.7Very high53 Ų5342.5 Ų42.528%0.27722%0.22SC..  trans-99.7-28.1-179-56.8-178.4000112N102 C116 E118 N141 G144N102-L104 PolarHBondContact O-N 3.2Å; L104-C116 PolarHBondContact N-O 2.99Å; L104-E118 HydrophobicContact CD1-CB 3.98Å; L104-N141 WeakPolarHBondContact CD1-O 3.38Å; L104-G144 VanDerWaalsContact CB-CA 3.41Å
105S98.3Very high97.8Very high13 Ų1339.6 Ų39.69%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-156.5147.4178.5177.20000110.9K107 C116 G144S105-K107 WeakPolarHBondContact OG-CE 3.33Å; S105-C116 PolarHBondContact N-O 2.71Å; S105-C116 PolarHBondContact O-N 3.15Å; S105-G144 WeakPolarHBondContact CB-O 3.35Å; S105-G144 PolarHBondContact OG-O 3.04Å
106V98.8Very high97.9Very high1 Ų138.4 Ų38.41%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-124.4140.6166.3-1790000108.1I62 E64 V73 M83 I103 L108 L113 V114 V115I62-V106 HydrophobicContact CG2-CB 4.25Å; I62-V106 HydrophobicContact CG2-CG2 4.22Å; E64-V106 HydrophobicContact CG-CB 4.49Å; V73-V106 HydrophobicContact CG1-CG1 4.13Å; V73-V106 HydrophobicContact CG1-CG2 4.36Å; M83-V106 HydrophobicContact SD-CG1 4.43Å; M83-V106 HydrophobicContact SD-CG2 4.34Å; I103-V106 HydrophobicContact CG2-CG2 3.79Å; V106-L108 HydrophobicContact CG1-CD2 4.15Å; V106-L108 HydrophobicContact CG1-CG 4.43Å; V106-L113 HydrophobicContact CG1-CG 4.46Å; V106-V114 CarbonylContact C-O 3.11Å; V106-V114 VanDerWaalsContact CA-O 3.28Å; V106-V114 WeakPolarHBondContact CA-O 3.49Å; V106-V115 HydrophobicContact CG2-CG1 4.42Å; V106-V115 HydrophobicContact CG2-CG2 4.46Å
107K98.6Very high98.1Very high59 Ų5935.5 Ų35.526%0.25718%0.181SC..EExtended strand (participates in β ladder)trans-135.4143.8171.9-59.4-64.7155.9-162.70111.4E64 S105 V114 L148E64-K107 IonicContact OE1-NZ 2.68Å; E64-K107 PolarHBondContact OE1-NZ 3.13Å; S105-K107 WeakPolarHBondContact OG-CE 3.33Å; K107-V114 PolarHBondContact N-O 3.14Å; K107-V114 PolarHBondContact O-N 2.94Å; K107-L148 HydrophobicContact CB-CB 3.72Å; K107-L148 HydrophobicContact CB-CD2 4.33Å
108L98.4Very high98.1Very high8 Ų835.2 Ų35.24%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-131.2136.8-168.7-55170.5000110.7Q24 E64 L66 V73 V106 L113 I126Q24-L108 WeakPolarHBondContact CG-O 3.44Å; Q24-L108 PolarHBondContact NE2-O 2.89Å; E64-L108 HydrophobicContact CB-CD1 3.95Å; E64-L108 WeakPolarHBondContact O-CD1 3.31Å; L66-L108 HydrophobicContact CB-CD1 4.37Å; L66-L108 HydrophobicContact CD1-CB 4.09Å; V73-L108 HydrophobicContact CG2-CD1 3.93Å; V73-L108 HydrophobicContact CG2-CD2 4.01Å; V106-L108 HydrophobicContact CG1-CD2 4.15Å; V106-L108 HydrophobicContact CG1-CG 4.43Å; L108-L113 HydrophobicContact CD2-CB 3.82Å; L108-L113 HydrophobicContact CD2-CD1 3.65Å; L108-L113 HydrophobicContact CD2-CG 3.51Å; L108-I126 HydrophobicContact CD2-CD1 4Å
109N97.9Very high98Very high0 Ų036.6 Ų36.60%018%0.179CC..  trans-137.2-177.8161.676.918.3000110L66 Q111 R112 L148 S149 S155L66-N109 WeakPolarHBondContact CD1-O 3.43Å; N109-Q111 PolarHBondContact O-N 3.05Å; N109-Q111 PolarHBondContact OD1-N 3.44Å; N109-R112 PolarHBondContact N-O 2.87Å; N109-R112 PolarHBondContact OD1-N 3.5Å; N109-L148 HydrophobicContact CB-CD2 4.05Å; N109-L148 HydrophobicContact CB-CG 4.43Å; N109-S149 PolarHBondContact ND2-O 3.2Å; N109-S155 PolarHBondContact ND2-OG 2.92Å
110R96.5Very high98Very high138 Ų13836.2 Ų36.252%0.52118%0.179SC..SBendtrans-68.10.9-175.7-62.9-166.9175-128.52.3115.4F67 I126 H152F67-R110 HydrophobicContact CD2-CG 4.1Å; F67-R110 HydrophobicContact CE2-CG 3.52Å; F67-R110 HydrophobicContact CZ-CG 4.05Å; R110-I126 WeakPolarHBondContact O-CG2 3.45Å; R110-H152 HydrophobicContact CB-CB 4.15Å
111Q96.8Very high98.1Very high56 Ų5632.4 Ų32.426%0.26215%0.152SC..SBendtrans-133.6-21.1-177.4-176.5150.1-22.400113.8N109 I126 H152 N174N109-Q111 PolarHBondContact O-N 3.05Å; N109-Q111 PolarHBondContact OD1-N 3.44Å; Q111-I126 PolarHBondContact O-N 3.15Å; Q111-H152 HydrophobicContact CB-CB 3.95Å; Q111-H152 PolarHBondContact OE1-O 3.26Å; Q111-N174 VanDerWaalsContact CD-OD1 3.24Å; Q111-N174 WeakPolarHBondContact CG-OD1 3.48Å; Q111-N174 PolarHBondContact NE2-OD1 3.4Å
112R98.3Very high98.2Very high23 Ų2330.9 Ų30.99%0.08714%0.142CC..EExtended strand (participates in β ladder)trans-140.1144.6-174-63.1-62.2-180-108.65.5113.9N109 I123 H124 L148 A173N109-R112 PolarHBondContact N-O 2.87Å; N109-R112 PolarHBondContact OD1-N 3.5Å; R112-I123 HydrophobicContact CG-CG2 4.48Å; R112-H124 WeakPolarHBondContact CA-O 3.4Å; R112-H124 WeakPolarHBondContact CD-O 3.47Å; R112-L148 HydrophobicContact CB-CD2 4.35Å; R112-A173 HydrophobicContact CG-CB 4.02Å; R112-A173 PolarHBondContact NE-O 3.35Å; R112-A173 PolarHBondContact NH2-O 3.32Å; R112-A173 VanDerWaalsContact NH2-O 3.13Å
113L98.5Very high98.2Very high1 Ų127.8 Ų27.81%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-114.3123.4162.7177.4157.3000107.6V73 M83 V106 L108 V115 H124 I126 M129V73-L113 HydrophobicContact CG2-CD1 4.07Å; M83-L113 HydrophobicContact CE-CD1 3.95Å; M83-L113 HydrophobicContact CE-CD2 3.78Å; M83-L113 HydrophobicContact SD-CD1 4.09Å; M83-L113 HydrophobicContact SD-CD2 3.83Å; M83-L113 HydrophobicContact SD-CG 4.45Å; V106-L113 HydrophobicContact CG1-CG 4.46Å; L108-L113 HydrophobicContact CD2-CB 3.82Å; L108-L113 HydrophobicContact CD2-CD1 3.65Å; L108-L113 HydrophobicContact CD2-CG 3.51Å; L113-V115 HydrophobicContact CD2-CG2 3.5Å; L113-H124 HydrophobicContact CB-CB 4.3Å; L113-H124 HydrophobicContact CD2-CB 4.21Å; L113-H124 WeakPolarHBondContact CD2-ND1 3.42Å; L113-H124 PolarHBondContact N-O 3.38Å; L113-H124 PolarHBondContact O-N 2.73Å; L113-H124 PolarHBondContact O-ND1 2.74Å; L113-I126 HydrophobicContact CB-CD1 3.94Å; L113-I126 HydrophobicContact CD1-CD1 4.2Å; L113-M129 HydrophobicContact CD1-SD 4.25Å
114V98.8Very high98.2Very high0 Ų028 Ų280%013%0.126CC..EExtended strand (participates in β ladder)trans-116.2128.4-179.5179.80000109.3V106 K107 I121 Y122 I123 L148 L157V106-V114 CarbonylContact C-O 3.11Å; V106-V114 VanDerWaalsContact CA-O 3.28Å; V106-V114 WeakPolarHBondContact CA-O 3.49Å; K107-V114 PolarHBondContact N-O 3.14Å; K107-V114 PolarHBondContact O-N 2.94Å; V114-I121 HydrophobicContact CG1-CG2 3.42Å; V114-I121 VanDerWaalsContact CG1-CG2 3.42Å; V114-Y122 WeakPolarHBondContact CA-O 3.44Å; V114-I123 HydrophobicContact CG2-CG1 4.32Å; V114-I123 HydrophobicContact CG2-CG2 4.47Å; V114-L148 HydrophobicContact CG2-CD1 4.09Å; V114-L148 HydrophobicContact CG2-CD2 4.06Å; V114-L157 HydrophobicContact CG1-CD1 3.99Å; V114-L157 HydrophobicContact CG1-CD2 4.13Å
115V98.8Very high98.2Very high0 Ų026.9 Ų26.90%012%0.121CC..EExtended strand (participates in β ladder)trans-114.9123.3175.8-171.60000108.6M83 Y99 I103 V106 L113 L117 I121 Y122M83-V115 HydrophobicContact CE-CG2 4.35Å; M83-V115 HydrophobicContact SD-CG2 3.69Å; Y99-V115 HydrophobicContact CD2-CG1 4.34Å; Y99-V115 HydrophobicContact CE1-CB 4.47Å; Y99-V115 HydrophobicContact CE1-CG1 4.49Å; Y99-V115 HydrophobicContact CE2-CG1 4.07Å; Y99-V115 HydrophobicContact CE2-CG2 4.34Å; I103-V115 HydrophobicContact CB-CG1 4.34Å; I103-V115 HydrophobicContact CG1-CG1 3.94Å; I103-V115 HydrophobicContact CG2-CG1 3.63Å; V106-V115 HydrophobicContact CG2-CG1 4.42Å; V106-V115 HydrophobicContact CG2-CG2 4.46Å; L113-V115 HydrophobicContact CD2-CG2 3.5Å; V115-L117 HydrophobicContact CG1-CD1 4.03Å; V115-I121 WeakPolarHBondContact O-CA 3.37Å; V115-Y122 PolarHBondContact N-O 2.9Å; V115-Y122 PolarHBondContact O-N 3.27Å
116C98.6Very high98.1Very high0 Ų026.5 Ų26.50%012%0.117CC..EExtended strand (participates in β ladder)trans-101.7125.3177.2-158.90000110.2L104 S105L104-C116 PolarHBondContact N-O 2.99Å; S105-C116 PolarHBondContact N-O 2.71Å; S105-C116 PolarHBondContact O-N 3.15Å
117L98.4Very high97.9Very high2 Ų233.4 Ų33.41%0.0114%0.143CC..  trans-102-175.1162.6-7666.8000107.9Y99 N101 V115 S120 Y122Y99-L117 HydrophobicContact CD1-CD1 4.38Å; Y99-L117 HydrophobicContact CG-CD1 4.27Å; N101-L117 HydrophobicContact CB-CD2 4.02Å; V115-L117 HydrophobicContact CG1-CD1 4.03Å; L117-S120 PolarHBondContact N-O 3.47Å; L117-Y122 HydrophobicContact CD1-CD2 3.97Å; L117-Y122 HydrophobicContact CD1-CE2 4.02Å; L117-Y122 HydrophobicContact CD2-CE2 4.13Å
118E97.6Very high97.8Very high67 Ų6733.9 Ų33.931%0.31315%0.149SC..SBendtrans-67.4-41.6179.8-170.5168.8-162.800113.8L104 V140 N141L104-E118 HydrophobicContact CD1-CB 3.98Å; E118-V140 HydrophobicContact CG-CG1 3.83Å; E118-N141 PolarHBondContact O-N 2.79Å
119E97Very high97.6Very high116 Ų11634.2 Ų34.254%0.54215%0.15SC..SBendtrans-124.612.2-175.9-59.5-175.2114.700113.4N137 T138 V140E119-N137 PolarHBondContact O-N 2.88Å; E119-T138 PolarHBondContact O-N 2.9Å; E119-T138 VanDerWaalsContact O-N 3.08Å; E119-T138 PolarHBondContact O-OG1 2.97Å; E119-V140 HydrophobicContact CG-CG2 4.37Å
120S98.2Very high97.6Very high11 Ų1140.2 Ų40.28%0.07718%0.176CC..EExtended strand (participates in β ladder)trans-155.7155.1178.353.20000113.6L117 L135 T138L117-S120 PolarHBondContact N-O 3.47Å; S120-L135 CarbonylContact C-O 3.43Å; S120-L135 WeakPolarHBondContact CA-O 3.26Å; S120-L135 WeakPolarHBondContact CB-O 3.4Å; S120-T138 PolarHBondContact N-OG1 3.44Å
121I98.8Very high97.6Very high0 Ų037.5 Ų37.50%017%0.172CC..EExtended strand (participates in β ladder)trans-130130.4177.9-55.6175.1000109.3V114 V115 T134 L135 T138 L157 Y159V114-I121 HydrophobicContact CG1-CG2 3.42Å; V114-I121 VanDerWaalsContact CG1-CG2 3.42Å; V115-I121 WeakPolarHBondContact O-CA 3.37Å; I121-T134 CarbonylContact O-C 3.49Å; I121-T134 WeakPolarHBondContact O-CA 3.36Å; I121-L135 HydrophobicContact CB-CB 4.26Å; I121-L135 HydrophobicContact CB-CD1 4.36Å; I121-L135 PolarHBondContact N-O 3Å; I121-L135 PolarHBondContact O-N 2.76Å; I121-T138 HydrophobicContact CD1-CG2 4.33Å; I121-T138 HydrophobicContact CG1-CG2 4.25Å; I121-L157 HydrophobicContact CG2-CD2 4.13Å; I121-Y159 HydrophobicContact CD1-CD1 3.83Å; I121-Y159 HydrophobicContact CD1-CD2 3.88Å; I121-Y159 HydrophobicContact CD1-CE1 4.34Å; I121-Y159 HydrophobicContact CD1-CE2 4.41Å; I121-Y159 HydrophobicContact CD1-CG 3.56Å
122Y98.8Very high97.7Very high36 Ų3638.3 Ų38.314%0.14118%0.177CC..EExtended strand (participates in β ladder)trans-110.3121.4-179-66.9-110.1000110.1Y99 V114 V115 L117 H124 L131 T134Y99-Y122 HydrophobicContact CD1-CD1 4.01Å; Y99-Y122 AromaticContact CD1-CD2 3.96Å; Y99-Y122 HydrophobicContact CD1-CD2 3.96Å; Y99-Y122 HydrophobicContact CD1-CE1 4.11Å; Y99-Y122 HydrophobicContact CD1-CE2 4.07Å; Y99-Y122 AromaticContact CD1-CG 3.94Å; Y99-Y122 HydrophobicContact CD1-CG 3.94Å; Y99-Y122 AromaticContact CE1-CD1 3.91Å; Y99-Y122 HydrophobicContact CE1-CD1 3.91Å; Y99-Y122 HydrophobicContact CE1-CD2 4.26Å; Y99-Y122 HydrophobicContact CE1-CE1 4.43Å; Y99-Y122 AromaticContact CE1-CG 3.82Å; Y99-Y122 HydrophobicContact CE1-CG 3.82Å; V114-Y122 WeakPolarHBondContact CA-O 3.44Å; V115-Y122 PolarHBondContact N-O 2.9Å; V115-Y122 PolarHBondContact O-N 3.27Å; L117-Y122 HydrophobicContact CD1-CD2 3.97Å; L117-Y122 HydrophobicContact CD1-CE2 4.02Å; L117-Y122 HydrophobicContact CD2-CE2 4.13Å; Y122-H124 VanDerWaalsContact CB-CE1 3.46Å; Y122-H124 WeakPolarHBondContact CB-CE1 3.44Å; Y122-H124 PolarHBondContact O-ND1 3.2Å; Y122-L131 HydrophobicContact CD1-CD1 3.83Å; Y122-L131 HydrophobicContact CD1-CD2 4.1Å; Y122-L131 HydrophobicContact CG-CD1 4.38Å; Y122-T134 HydrophobicContact CD1-CG2 3.87Å; Y122-T134 WeakPolarHBondContact CD1-OG1 3.42Å; Y122-T134 HydrophobicContact CD2-CG2 4.11Å; Y122-T134 HydrophobicContact CE1-CG2 3.68Å; Y122-T134 WeakPolarHBondContact CE1-OG1 3.47Å; Y122-T134 HydrophobicContact CE2-CG2 3.92Å; Y122-T134 HydrophobicContact CG-CG2 4.08Å
123I98.7Very high97.7Very high0 Ų041.2 Ų41.20%019%0.191CC..EExtended strand (participates in β ladder)trans-109117.1-177.4-55.3175.3000108.5R112 V114 L132 K133 L135 L157 Y171 A173 L176R112-I123 HydrophobicContact CG-CG2 4.48Å; V114-I123 HydrophobicContact CG2-CG1 4.32Å; V114-I123 HydrophobicContact CG2-CG2 4.47Å; I123-L132 WeakPolarHBondContact O-CB 3.14Å; I123-L132 PolarHBondContact O-N 3.03Å; I123-K133 HydrophobicContact CB-CB 4.33Å; I123-K133 PolarHBondContact N-O 3.02Å; I123-K133 PolarHBondContact O-N 3.38Å; I123-K133 VanDerWaalsContact O-N 3.11Å; I123-L135 HydrophobicContact CD1-CD1 4.3Å; I123-L135 HydrophobicContact CD1-CG 4.45Å; I123-L157 HydrophobicContact CD1-CD2 3.9Å; I123-L157 HydrophobicContact CG1-CD2 4.3Å; I123-Y171 HydrophobicContact CD1-CD1 3.86Å; I123-Y171 HydrophobicContact CD1-CE1 3.47Å; I123-Y171 VanDerWaalsContact CD1-CE1 3.47Å; I123-A173 HydrophobicContact CD1-CB 4.49Å; I123-A173 HydrophobicContact CG2-CB 4.25Å; I123-L176 HydrophobicContact CG2-CD2 4.36Å
124H98.6Very high97.7Very high3 Ų343 Ų431%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-115.1155.9-178.5-45.971.9000110.2Y99 R112 L113 Y122 K130Y99-H124 AromaticContact CE1-CE1 3.92Å; Y99-H124 AromaticContact CE1-NE2 3.88Å; Y99-H124 AromaticContact CZ-CE1 3.9Å; Y99-H124 AromaticContact CZ-NE2 3.86Å; Y99-H124 PolarHBondContact OH-CE1 2.98Å; Y99-H124 PolarHBondContact OH-NE2 2.92Å; R112-H124 WeakPolarHBondContact CA-O 3.4Å; R112-H124 WeakPolarHBondContact CD-O 3.47Å; L113-H124 HydrophobicContact CB-CB 4.3Å; L113-H124 HydrophobicContact CD2-CB 4.21Å; L113-H124 WeakPolarHBondContact CD2-ND1 3.42Å; L113-H124 PolarHBondContact N-O 3.38Å; L113-H124 PolarHBondContact O-N 2.73Å; L113-H124 PolarHBondContact O-ND1 2.74Å; Y122-H124 VanDerWaalsContact CB-CE1 3.46Å; Y122-H124 WeakPolarHBondContact CB-CE1 3.44Å; Y122-H124 PolarHBondContact O-ND1 3.2Å; H124-K130 CarbonylContact C-O 3.6Å; H124-K130 WeakPolarHBondContact CA-O 3.31Å; H124-K130 WeakPolarHBondContact CB-O 3.46Å
125N97.6Very high97.7Very high31 Ų3143.8 Ų43.817%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-77.7126.2167.6176.418.1000109.7R127 D128 M129 K130 L132N125-R127 PolarHBondContact O-N 2.91Å; N125-R127 PolarHBondContact OD1-N 2.91Å; N125-R127 VanDerWaalsContact OD1-N 3.13Å; N125-D128 VanDerWaalsContact CB-OD1 3.32Å; N125-D128 WeakPolarHBondContact CB-OD1 3.42Å; N125-D128 VanDerWaalsContact ND2-CG 3.32Å; N125-D128 PolarHBondContact ND2-OD1 2.97Å; N125-M129 WeakPolarHBondContact O-CA 3.45Å; N125-M129 PolarHBondContact O-N 2.93Å; N125-K130 PolarHBondContact N-O 3.21Å; N125-L132 HydrophobicContact CB-CD1 4.05Å; N125-L132 HydrophobicContact CB-CD2 4.18Å; N125-L132 HydrophobicContact CB-CG 4.15Å
126I96.5Very high97.6Very high4 Ų449.2 Ų49.22%0.02123%0.234CC..THydrogen-bonded Turntrans-68.9-19.1179.8-165.366.4000113.2L66 L71 L108 R110 Q111 L113 M129L66-I126 HydrophobicContact CD2-CD1 4.36Å; L66-I126 HydrophobicContact CD2-CG1 3.88Å; L71-I126 HydrophobicContact CD1-CD1 4.49Å; L71-I126 HydrophobicContact CD2-CD1 4.42Å; L108-I126 HydrophobicContact CD2-CD1 4Å; R110-I126 WeakPolarHBondContact O-CG2 3.45Å; Q111-I126 PolarHBondContact O-N 3.15Å; L113-I126 HydrophobicContact CB-CD1 3.94Å; L113-I126 HydrophobicContact CD1-CD1 4.2Å; I126-M129 HydrophobicContact CD1-CE 4.08Å; I126-M129 HydrophobicContact CD1-SD 4.47Å; I126-M129 WeakPolarHBondContact O-CE 3.49Å
127R95.1Very high97.3Very high147 Ų14756.6 Ų56.656%0.55527%0.274SS*.THydrogen-bonded Turntrans-83.3-33.8-173.5-63.3-175.1174.1-153.8-7.8114.2N125 L430N125-R127 PolarHBondContact O-N 2.91Å; N125-R127 PolarHBondContact OD1-N 2.91Å; N125-R127 VanDerWaalsContact OD1-N 3.13Å; R127-L430 HydrophobicContact CG-CD1 4.3Å
128D95.8Very high97.2Very high68 Ų6857 Ų5736%0.36428%0.277SS..THydrogen-bonded Turntrans-127.28.5179.172.3-8.3000113.4N125 K130N125-D128 VanDerWaalsContact CB-OD1 3.32Å; N125-D128 WeakPolarHBondContact CB-OD1 3.42Å; N125-D128 VanDerWaalsContact ND2-CG 3.32Å; N125-D128 PolarHBondContact ND2-OD1 2.97Å; D128-K130 HydrophobicContact CB-CG 4.49Å; D128-K130 PolarHBondContact O-N 3.1Å; D128-K130 PolarHBondContact OD1-N 3.1Å; D128-K130 VanDerWaalsContact OD2-CD 3.23Å; D128-K130 WeakPolarHBondContact OD2-CD 3.2Å; D128-K130 VanDerWaalsContact OD2-CE 3.28Å; D128-K130 WeakPolarHBondContact OD2-CE 3.38Å; D128-K130 IonicContact OD2-NZ 2.83Å; D128-K130 PolarHBondContact OD2-NZ 3.31Å
129M95.4Very high97.1Very high15 Ų1555.6 Ų55.67%0.07427%0.273CS..  trans58.63.8-178.7-58-60.5167.200116.2L71 V85 Y97 L113 N125 I126 L131L71-M129 HydrophobicContact CD1-CE 3.75Å; V85-M129 HydrophobicContact CG1-CE 4.15Å; Y97-M129 HydrophobicContact CE2-CB 3.98Å; Y97-M129 PolarHBondContact OH-O 2.81Å; Y97-M129 VanDerWaalsContact OH-O 3.12Å; L113-M129 HydrophobicContact CD1-SD 4.25Å; N125-M129 WeakPolarHBondContact O-CA 3.45Å; N125-M129 PolarHBondContact O-N 2.93Å; I126-M129 HydrophobicContact CD1-CE 4.08Å; I126-M129 HydrophobicContact CD1-SD 4.47Å; I126-M129 WeakPolarHBondContact O-CE 3.49Å; M129-L131 PolarHBondContact O-N 2.96Å
130K96.6Very high97.2Very high126 Ų12653.1 Ų53.155%0.54827%0.265SS..  trans-69.5136.1-175.8-65.2-178.3-163.9136.90111.7H124 N125 D128 L132H124-K130 CarbonylContact C-O 3.6Å; H124-K130 WeakPolarHBondContact CA-O 3.31Å; H124-K130 WeakPolarHBondContact CB-O 3.46Å; N125-K130 PolarHBondContact N-O 3.21Å; D128-K130 HydrophobicContact CB-CG 4.49Å; D128-K130 PolarHBondContact O-N 3.1Å; D128-K130 PolarHBondContact OD1-N 3.1Å; D128-K130 VanDerWaalsContact OD2-CD 3.23Å; D128-K130 WeakPolarHBondContact OD2-CD 3.2Å; D128-K130 VanDerWaalsContact OD2-CE 3.28Å; D128-K130 WeakPolarHBondContact OD2-CE 3.38Å; D128-K130 IonicContact OD2-NZ 2.83Å; D128-K130 PolarHBondContact OD2-NZ 3.31Å; K130-L132 PolarHBondContact O-N 2.82Å
131L97.9Very high97.1Very high82 Ų8252.9 Ų52.943%0.42926%0.263SS..EExtended strand (participates in β ladder)trans-61.8120.7168.9178.863.3000109.6Y122 M129 K133Y122-L131 HydrophobicContact CD1-CD1 3.83Å; Y122-L131 HydrophobicContact CD1-CD2 4.1Å; Y122-L131 HydrophobicContact CG-CD1 4.38Å; M129-L131 PolarHBondContact O-N 2.96Å; L131-K133 WeakPolarHBondContact CD1-O 3.03Å
132L98.2Very high97Very high72 Ų7257 Ų5738%0.37729%0.29SS..EExtended strand (participates in β ladder)trans-95.1-38.4176.4-59.4177.8000111.6I123 N125 K130 L176I123-L132 WeakPolarHBondContact O-CB 3.14Å; I123-L132 PolarHBondContact O-N 3.03Å; N125-L132 HydrophobicContact CB-CD1 4.05Å; N125-L132 HydrophobicContact CB-CD2 4.18Å; N125-L132 HydrophobicContact CB-CG 4.15Å; K130-L132 PolarHBondContact O-N 2.82Å; L132-L176 HydrophobicContact CB-CD1 4.24Å
133K98.4Very high96.9Very high84 Ų8459.9 Ų59.937%0.36531%0.312SS..EExtended strand (participates in β ladder)trans-155.8136.2-172.8-17869.7178.4-172.90111.2I123 L131 L135 L176I123-K133 HydrophobicContact CB-CB 4.33Å; I123-K133 PolarHBondContact N-O 3.02Å; I123-K133 PolarHBondContact O-N 3.38Å; I123-K133 VanDerWaalsContact O-N 3.11Å; L131-K133 WeakPolarHBondContact CD1-O 3.03Å; K133-L135 HydrophobicContact CG-CD2 3.89Å; K133-L176 HydrophobicContact CB-CD1 4.31Å; K133-L176 HydrophobicContact CB-CD2 3.95Å
134T98.4Very high96.8Very high39 Ų3960 Ų6024%0.23931%0.312CS..EExtended strand (participates in β ladder)trans-104.3132.9158.3-49.20000109.1I121 Y122 L136I121-T134 CarbonylContact O-C 3.49Å; I121-T134 WeakPolarHBondContact O-CA 3.36Å; Y122-T134 HydrophobicContact CD1-CG2 3.87Å; Y122-T134 WeakPolarHBondContact CD1-OG1 3.42Å; Y122-T134 HydrophobicContact CD2-CG2 4.11Å; Y122-T134 HydrophobicContact CE1-CG2 3.68Å; Y122-T134 WeakPolarHBondContact CE1-OG1 3.47Å; Y122-T134 HydrophobicContact CE2-CG2 3.92Å; Y122-T134 HydrophobicContact CG-CG2 4.08Å; T134-L136 HydrophobicContact CG2-CD2 3.55Å; T134-L136 HydrophobicContact CG2-CG 3.88Å
135L98.2Very high96.8Very high17 Ų1761 Ų619%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-93.3113.4163.4-52.8-176.6000106.2S120 I121 I123 K133 T138 Y159 Y171S120-L135 CarbonylContact C-O 3.43Å; S120-L135 WeakPolarHBondContact CA-O 3.26Å; S120-L135 WeakPolarHBondContact CB-O 3.4Å; I121-L135 HydrophobicContact CB-CB 4.26Å; I121-L135 HydrophobicContact CB-CD1 4.36Å; I121-L135 PolarHBondContact N-O 3Å; I121-L135 PolarHBondContact O-N 2.76Å; I123-L135 HydrophobicContact CD1-CD1 4.3Å; I123-L135 HydrophobicContact CD1-CG 4.45Å; K133-L135 HydrophobicContact CG-CD2 3.89Å; L135-T138 HydrophobicContact CB-CG2 4Å; L135-Y159 HydrophobicContact CD1-CE1 3.9Å; L135-Y171 HydrophobicContact CD1-CD1 4.32Å; L135-Y171 HydrophobicContact CD1-CD2 4.42Å; L135-Y171 HydrophobicContact CD1-CE1 4.36Å; L135-Y171 HydrophobicContact CD1-CE2 4.49Å; L135-Y171 HydrophobicContact CD1-CG 4.34Å; L135-Y171 HydrophobicContact CD2-CE1 4.25Å; L135-Y171 HydrophobicContact CD2-CE2 3.86Å
136L96.4Very high96.8Very high113 Ų11359.9 Ų59.959%0.59231%0.312SS*.EExtended strand (participates in β ladder)trans-106.2152.3179.9-66.3174000109.7T134 T138T134-L136 HydrophobicContact CG2-CD2 3.55Å; T134-L136 HydrophobicContact CG2-CG 3.88Å; L136-T138 VanDerWaalsContact C-N 3.29Å
137N92.4Very high96.9Very high155 Ų15560 Ų6083%0.82931%0.314SS*.SBendtrans59.240.5-177.1-35.8-62.4000111.7E119E119-N137 PolarHBondContact O-N 2.88Å
138T96.4Very high97.1Very high12 Ų1254 Ų547%0.07429%0.293CS..PPolyproline II helixtrans-69.4153.9166.162.90000108.9E119 S120 I121 L135 L136 Y159E119-T138 PolarHBondContact O-N 2.9Å; E119-T138 VanDerWaalsContact O-N 3.08Å; E119-T138 PolarHBondContact O-OG1 2.97Å; S120-T138 PolarHBondContact N-OG1 3.44Å; I121-T138 HydrophobicContact CD1-CG2 4.33Å; I121-T138 HydrophobicContact CG1-CG2 4.25Å; L135-T138 HydrophobicContact CB-CG2 4Å; L136-T138 VanDerWaalsContact C-N 3.29Å; T138-Y159 HydrophobicContact CG2-CE2 4.03Å
139P96.9Very high97.2Very high36 Ų3650.8 Ų50.823%0.23428%0.276CS..PPolyproline II helixtrans-53.7145.6172-21.230.9000111.3N141 P160 G161 A163P139-N141 PolarHBondContact O-N 2.83Å; P139-N141 VanDerWaalsContact O-N 3.14Å; P139-P160 WeakPolarHBondContact CG-O 3.24Å; P139-G161 WeakPolarHBondContact CG-O 3.49Å; P139-A163 HydrophobicContact CB-CB 4.33Å
140V97.3Very high97.2Very high64 Ų6451.7 Ų51.739%0.38828%0.282SS..PPolyproline II helixtrans-55.8116.9-179.2-171.60000110E118 E119 P142 A163E118-V140 HydrophobicContact CG-CG1 3.83Å; E119-V140 HydrophobicContact CG-CG2 4.37Å; V140-P142 WeakPolarHBondContact O-CD 3.46Å; V140-A163 HydrophobicContact CB-CB 4.35Å
141N97.3Very high97.1Very high6 Ų648 Ų483%0.03227%0.269CS..  trans-125.670.5-171-1736.9000110.2L104 E118 P139 T143 G144 L145L104-N141 WeakPolarHBondContact CD1-O 3.38Å; E118-N141 PolarHBondContact O-N 2.79Å; P139-N141 PolarHBondContact O-N 2.83Å; P139-N141 VanDerWaalsContact O-N 3.14Å; N141-T143 PolarHBondContact O-N 2.91Å; N141-T143 VanDerWaalsContact O-N 3.08Å; N141-T143 PolarHBondContact OD1-OG1 3.39Å; N141-G144 PolarHBondContact O-N 2.55Å; N141-G144 PolarHBondContact OD1-N 3.01Å; N141-L145 PolarHBondContact ND2-N 3.12Å; N141-L145 PolarHBondContact ND2-O 2.88Å; N141-L145 PolarHBondContact OD1-N 3.24Å
142P96.6Very high96.6Very high87 Ų8748.4 Ų48.457%0.56527%0.268SS*.THydrogen-bonded Turntrans-69.9-9.8-16930.5-36.7000113.6V140V140-P142 WeakPolarHBondContact O-CD 3.46Å
143T95.6Very high96.2Very high97 Ų9747 Ų4760%0.59527%0.271SS*.THydrogen-bonded Turntrans-96.8-5.5174.354.30000113.2N141 L145N141-T143 PolarHBondContact O-N 2.91Å; N141-T143 VanDerWaalsContact O-N 3.08Å; N141-T143 PolarHBondContact OD1-OG1 3.39Å; T143-L145 PolarHBondContact O-N 2.95Å
144G97.5Very high95.7Very high1 Ų146.5 Ų46.51%0.0127%0.272CS..  trans64.123.8-173.600000113.7L104 S105 N141 C146L104-G144 VanDerWaalsContact CB-CA 3.41Å; S105-G144 WeakPolarHBondContact CB-O 3.35Å; S105-G144 PolarHBondContact OG-O 3.04Å; N141-G144 PolarHBondContact O-N 2.55Å; N141-G144 PolarHBondContact OD1-N 3.01Å; G144-C146 PolarHBondContact O-N 3.2Å
145L98.3Very high95.6Very high24 Ų2444.6 Ų44.613%0.12626%0.261CS..  trans-63.6110.4-173.1178.259.6000110.8N141 T143 P160 L189 L192N141-L145 PolarHBondContact ND2-N 3.12Å; N141-L145 PolarHBondContact ND2-O 2.88Å; N141-L145 PolarHBondContact OD1-N 3.24Å; T143-L145 PolarHBondContact O-N 2.95Å; L145-P160 WeakPolarHBondContact O-CD 3.48Å; L145-L189 HydrophobicContact CD2-CB 3.55Å; L145-L189 VanDerWaalsContact CD2-O 3.31Å; L145-L189 WeakPolarHBondContact CD2-O 3.5Å; L145-L192 HydrophobicContact CD1-CB 4.2Å; L145-L192 HydrophobicContact CD1-CG 4.39Å; L145-L192 HydrophobicContact CD2-CG 4.32Å; L145-L192 HydrophobicContact CG-CD1 4.24Å; L145-L192 HydrophobicContact CG-CG 4.31Å
146C98.3Very high95.6Very high8 Ų845 Ų455%0.05426%0.261CS..  trans-150.4154.2169.869.80000110.4G144 L157 A158G144-C146 PolarHBondContact O-N 3.2Å; C146-L157 HydrophobicContact CB-CD1 4.23Å; C146-A158 CarbonylContact C-O 3.59Å; C146-A158 VanDerWaalsContact CA-O 3.28Å; C146-A158 WeakPolarHBondContact CA-O 3.1Å
147A98.4Very high95.7Very high8 Ų839.6 Ų39.67%0.06623%0.233CC..EExtended strand (participates in β ladder)trans-125.8132.3171.900000109.4L157 A158 L192 F194A147-L157 CarbonylContact O-C 3.54Å; A147-L157 WeakPolarHBondContact O-CA 3.45Å; A147-A158 PolarHBondContact N-O 3Å; A147-A158 PolarHBondContact O-N 3.06Å; A147-L192 HydrophobicContact CB-CB 4.04Å; A147-F194 HydrophobicContact CB-CD2 3.88Å; A147-F194 HydrophobicContact CB-CE2 4.25Å; A147-F194 WeakPolarHBondContact O-CE2 3.13Å
148L98.6Very high96Very high20 Ų2032.2 Ų32.211%0.10519%0.193CC..EExtended strand (participates in β ladder)trans-108.2131.4170.4-178.265.8000108K107 N109 R112 V114 L157K107-L148 HydrophobicContact CB-CB 3.72Å; K107-L148 HydrophobicContact CB-CD2 4.33Å; N109-L148 HydrophobicContact CB-CD2 4.05Å; N109-L148 HydrophobicContact CB-CG 4.43Å; R112-L148 HydrophobicContact CB-CD2 4.35Å; V114-L148 HydrophobicContact CG2-CD1 4.09Å; V114-L148 HydrophobicContact CG2-CD2 4.06Å; L148-L157 HydrophobicContact CD1-CB 4.34Å
149S97.8Very high96.2Very high1 Ų132.7 Ų32.71%0.00719%0.194CC..  trans-66.4144.4176.454.20000112.1N109 N154 S155 Y156N109-S149 PolarHBondContact ND2-O 3.2Å; S149-N154 PolarHBondContact OG-O 3.48Å; S149-N154 VanDerWaalsContact OG-O 3.13Å; S149-S155 WeakPolarHBondContact OG-CA 3.36Å; S149-Y156 WeakPolarHBondContact CB-O 3.41Å; S149-Y156 PolarHBondContact N-O 3.05Å; S149-Y156 PolarHBondContact OG-N 2.89Å; S149-Y156 PolarHBondContact OG-O 2.98Å
150V96.1Very high96.2Very high33 Ų3331.4 Ų31.420%0.219%0.186CC..SBendtrans-75.6-36-177.6-179.20000111.5Q24 F67 H152Q24-V150 HydrophobicContact CB-CG1 3.91Å; Q24-V150 HydrophobicContact CB-CG2 3.97Å; F67-V150 HydrophobicContact CE1-CG1 3.68Å; F67-V150 HydrophobicContact CZ-CG1 3.73Å; V150-H152 PolarHBondContact O-N 2.99Å
151N93.3Very high96.2Very high50 Ų5029.2 Ų29.227%0.26718%0.176SC..  trans-64.7112.8173.2-178.5-0.6000110.9G153 N154 S155 A196 S197N151-G153 PolarHBondContact OD1-N 3.35Å; N151-N154 CarbonylContact O-C 3.57Å; N151-S155 WeakPolarHBondContact O-CA 3.36Å; N151-S155 PolarHBondContact O-N 3.45Å; N151-A196 PolarHBondContact N-O 2.8Å; N151-S197 WeakPolarHBondContact CB-O 3.21Å; N151-S197 PolarHBondContact ND2-O 3.06Å
152H87.6Confident96.3Very high90 Ų9030 Ų3042%0.41718%0.182SC..SBendtrans-75.6-23.5-178.862.3-86.4000113.6R110 Q111 V150 N174R110-H152 HydrophobicContact CB-CB 4.15Å; Q111-H152 HydrophobicContact CB-CB 3.95Å; Q111-H152 PolarHBondContact OE1-O 3.26Å; V150-H152 PolarHBondContact O-N 2.99Å; H152-N174 PolarHBondContact O-ND2 3.25Å
153G90.6Very high96.3Very high43 Ų4328.2 Ų28.244%0.44317%0.174SC..THydrogen-bonded Turntrans-67.5-48.6174.800000111.5N151 N174N151-G153 PolarHBondContact OD1-N 3.35Å; G153-N174 PolarHBondContact O-ND2 3.05Å
154N88.3Confident96.3Very high72 Ų7228.7 Ų28.739%0.38518%0.177SC..THydrogen-bonded Turntrans-102.559.7174.8-67.21.2000110.2S149 N151 Y156S149-N154 PolarHBondContact OG-O 3.48Å; S149-N154 VanDerWaalsContact OG-O 3.13Å; N151-N154 CarbonylContact O-C 3.57Å; N154-Y156 HydrophobicContact CB-CD2 4.27Å; N154-Y156 HydrophobicContact CB-CE2 3.81Å; N154-Y156 WeakPolarHBondContact O-CD2 3.32Å; N154-Y156 PolarHBondContact O-N 3.03Å
155S96.1Very high96.3Very high0 Ų031.8 Ų31.80%019%0.193CC..  trans-73.567.2-173.4-177.90000113N109 S149 N151 A173 N174N109-S155 PolarHBondContact ND2-OG 2.92Å; S149-S155 WeakPolarHBondContact OG-CA 3.36Å; N151-S155 WeakPolarHBondContact O-CA 3.36Å; N151-S155 PolarHBondContact O-N 3.45Å; S155-A173 VanDerWaalsContact O-CB 3.25Å; S155-A173 WeakPolarHBondContact O-CB 3.44Å; S155-A173 PolarHBondContact O-N 3.18Å; S155-N174 WeakPolarHBondContact CB-ND2 3.13Å; S155-N174 WeakPolarHBondContact CB-OD1 3.46Å
156Y98.4Very high96.3Very high24 Ų2430.6 Ų30.69%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-73.9144.1171.3-57.3-55.5000112.9S149 N154 V170 Y171 D172 V179 V216S149-Y156 WeakPolarHBondContact CB-O 3.41Å; S149-Y156 PolarHBondContact N-O 3.05Å; S149-Y156 PolarHBondContact OG-N 2.89Å; S149-Y156 PolarHBondContact OG-O 2.98Å; N154-Y156 HydrophobicContact CB-CD2 4.27Å; N154-Y156 HydrophobicContact CB-CE2 3.81Å; N154-Y156 WeakPolarHBondContact O-CD2 3.32Å; N154-Y156 PolarHBondContact O-N 3.03Å; Y156-V170 HydrophobicContact CD1-CG1 4.38Å; Y156-V170 HydrophobicContact CG-CG1 4.34Å; Y156-Y171 CarbonylContact C-O 3.45Å; Y156-Y171 WeakPolarHBondContact CA-O 3.41Å; Y156-D172 HydrophobicContact CD1-CB 4.29Å; Y156-D172 HydrophobicContact CE1-CB 4.27Å; Y156-V179 HydrophobicContact CD1-CG2 4.23Å; Y156-V179 HydrophobicContact CE1-CG2 4.02Å; Y156-V216 HydrophobicContact CD2-CG1 3.42Å; Y156-V216 VanDerWaalsContact CD2-CG1 3.42Å; Y156-V216 HydrophobicContact CE2-CG1 3.71Å; Y156-V216 HydrophobicContact CG-CG1 3.97Å
157L98.8Very high96.3Very high0 Ų031.7 Ų31.70%019%0.191CC..EExtended strand (participates in β ladder)trans-116132.9171.6168.165.3000108V114 I121 I123 C146 A147 L148 Y159 Y171V114-L157 HydrophobicContact CG1-CD1 3.99Å; V114-L157 HydrophobicContact CG1-CD2 4.13Å; I121-L157 HydrophobicContact CG2-CD2 4.13Å; I123-L157 HydrophobicContact CD1-CD2 3.9Å; I123-L157 HydrophobicContact CG1-CD2 4.3Å; C146-L157 HydrophobicContact CB-CD1 4.23Å; A147-L157 CarbonylContact O-C 3.54Å; A147-L157 WeakPolarHBondContact O-CA 3.45Å; L148-L157 HydrophobicContact CD1-CB 4.34Å; L157-Y159 HydrophobicContact CD2-CD1 4.4Å; L157-Y159 HydrophobicContact CG-CD1 4.21Å; L157-Y171 HydrophobicContact CD2-CD1 4.5Å; L157-Y171 PolarHBondContact N-O 2.66Å; L157-Y171 PolarHBondContact O-N 3.39Å
158A98.8Very high96.3Very high0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans-119.813417600000110.7C146 A147 I168 T169 L192 F194 L201C146-A158 CarbonylContact C-O 3.59Å; C146-A158 VanDerWaalsContact CA-O 3.28Å; C146-A158 WeakPolarHBondContact CA-O 3.1Å; A147-A158 PolarHBondContact N-O 3Å; A147-A158 PolarHBondContact O-N 3.06Å; A158-I168 HydrophobicContact CB-CG2 4.03Å; A158-T169 WeakPolarHBondContact CA-O 3.48Å; A158-L192 HydrophobicContact CB-CD1 4.37Å; A158-F194 HydrophobicContact CB-CE2 3.62Å; A158-F194 HydrophobicContact CB-CZ 3.79Å; A158-L201 HydrophobicContact CB-CD1 3.8Å; A158-L201 HydrophobicContact CB-CD2 3.96Å
159Y98.8Very high96.3Very high22 Ų2231 Ų319%0.08619%0.187CC..EExtended strand (participates in β ladder)trans-151.5164.1179.464.5-88.3000111I121 L135 T138 L157 G161 T169I121-Y159 HydrophobicContact CD1-CD1 3.83Å; I121-Y159 HydrophobicContact CD1-CD2 3.88Å; I121-Y159 HydrophobicContact CD1-CE1 4.34Å; I121-Y159 HydrophobicContact CD1-CE2 4.41Å; I121-Y159 HydrophobicContact CD1-CG 3.56Å; L135-Y159 HydrophobicContact CD1-CE1 3.9Å; T138-Y159 HydrophobicContact CG2-CE2 4.03Å; L157-Y159 HydrophobicContact CD2-CD1 4.4Å; L157-Y159 HydrophobicContact CG-CD1 4.21Å; Y159-G161 PolarHBondContact O-N 3.19Å; Y159-T169 HydrophobicContact CE1-CG2 3.91Å; Y159-T169 HydrophobicContact CE2-CG2 4.26Å; Y159-T169 PolarHBondContact N-O 2.75Å; Y159-T169 VanDerWaalsContact N-O 3.12Å; Y159-T169 PolarHBondContact O-N 2.78Å
160P98.5Very high96.3Very high10 Ų1031 Ų317%0.06519%0.187CC..EExtended strand (participates in β ladder)trans-58128.3177.8-24.232.7000113.4P139 L145 E167 L189P139-P160 WeakPolarHBondContact CG-O 3.24Å; L145-P160 WeakPolarHBondContact O-CD 3.48Å; P160-E167 CarbonylContact C-O 3.58Å; P160-E167 WeakPolarHBondContact CA-O 3.39Å; P160-L189 HydrophobicContact CB-CD1 4.24Å; P160-L189 HydrophobicContact CG-CD1 4.19Å
161G97.7Very high96.4Very high17 Ų1729.7 Ų29.718%0.17518%0.178CC..SBendtrans-84.2-18.3168.300000113.5P139 Y159 E167 T169P139-G161 WeakPolarHBondContact CG-O 3.49Å; Y159-G161 PolarHBondContact O-N 3.19Å; G161-E167 VanDerWaalsContact CA-OE1 3.26Å; G161-E167 WeakPolarHBondContact CA-OE1 3.43Å; G161-E167 PolarHBondContact N-O 2.63Å; G161-E167 VanDerWaalsContact O-OE1 3.13Å; G161-T169 WeakPolarHBondContact CA-OG1 3.42Å
162S97.8Very high96.7Very high24 Ų2428.2 Ų28.217%0.16817%0.17CC..  trans-140.8151.7172.7177.30000111.6T164 I165S162-T164 PolarHBondContact OG-N 2.84Å; S162-T164 VanDerWaalsContact OG-N 3.11Å; S162-T164 PolarHBondContact OG-OG1 2.73Å; S162-I165 PolarHBondContact OG-N 2.74Å
163A96.3Very high97.2Very high48 Ų4823.9 Ų23.940%0.39715%0.15SC..SBendtrans-89-9.1172.200000113.2P139 V140 P188P139-A163 HydrophobicContact CB-CB 4.33Å; V140-A163 HydrophobicContact CB-CB 4.35Å; A163-P188 WeakPolarHBondContact O-CG 3.48Å
164T96.8Very high97.4Very high107 Ų10723.5 Ų23.566%0.65614%0.138SC*.SBendtrans-116.9-21-174.858.20000114.2S162S162-T164 PolarHBondContact OG-N 2.84Å; S162-T164 VanDerWaalsContact OG-N 3.11Å; S162-T164 PolarHBondContact OG-OG1 2.73Å
165I97.2Very high97.9Very high66 Ų6625.9 Ų25.934%0.33815%0.151SC..SBendtrans-130.6161.617461.5169.2000110.1S162 E167S162-I165 PolarHBondContact OG-N 2.74Å; I165-E167 HydrophobicContact CD1-CB 4.45Å; I165-E167 HydrophobicContact CG1-CB 4.28Å; I165-E167 PolarHBondContact O-N 3.22Å
166G97.4Very high97.9Very high0 Ų028.6 Ų28.60%017%0.165CC..EExtended strand (participates in β ladder)trans-83.656.2-175.900000112.2A184 H185 S187G166-A184 CarbonylContact O-C 3.57Å; G166-A184 WeakPolarHBondContact O-CA 3.25Å; G166-A184 VanDerWaalsContact O-CB 3.31Å; G166-A184 WeakPolarHBondContact O-CB 3.41Å; G166-A184 PolarHBondContact O-N 3.44Å; G166-H185 WeakPolarHBondContact CA-O 3.4Å; G166-H185 PolarHBondContact N-O 2.82Å; G166-H185 PolarHBondContact O-N 3.2Å; G166-S187 WeakPolarHBondContact CA-O 3.42Å; G166-S187 PolarHBondContact N-O 2.85Å
167E98.4Very high97.9Very high30 Ų3030.1 Ų30.114%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-87.8136.4173.9-172.9-175.381.100109.6P160 G161 I165 L181 I182 Q183 L189P160-E167 CarbonylContact C-O 3.58Å; P160-E167 WeakPolarHBondContact CA-O 3.39Å; G161-E167 VanDerWaalsContact CA-OE1 3.26Å; G161-E167 WeakPolarHBondContact CA-OE1 3.43Å; G161-E167 PolarHBondContact N-O 2.63Å; G161-E167 VanDerWaalsContact O-OE1 3.13Å; I165-E167 HydrophobicContact CD1-CB 4.45Å; I165-E167 HydrophobicContact CG1-CB 4.28Å; I165-E167 PolarHBondContact O-N 3.22Å; E167-L181 HydrophobicContact CG-CD1 3.75Å; E167-L181 HydrophobicContact CG-CD2 4.37Å; E167-L181 HydrophobicContact CG-CG 3.85Å; E167-I182 CarbonylContact C-O 3.57Å; E167-I182 WeakPolarHBondContact CA-O 3.29Å; E167-Q183 PolarHBondContact OE2-NE2 2.94Å; E167-L189 WeakPolarHBondContact O-CD1 3.37Å
168I98.8Very high97.8Very high0 Ų034.3 Ų34.30%021%0.205CC..EExtended strand (participates in β ladder)trans-114.5123.3178.6-40.3167000109.5A158 L181 I182 A184 L189 L192 L201A158-I168 HydrophobicContact CB-CG2 4.03Å; I168-L181 WeakPolarHBondContact O-CA 3.39Å; I168-I182 HydrophobicContact CB-CB 4.25Å; I168-I182 HydrophobicContact CD1-CB 4.44Å; I168-I182 HydrophobicContact CD1-CG2 4.5Å; I168-I182 PolarHBondContact N-O 3.33Å; I168-I182 PolarHBondContact O-N 2.85Å; I168-A184 HydrophobicContact CD1-CB 3.64Å; I168-A184 HydrophobicContact CG1-CB 3.92Å; I168-L189 HydrophobicContact CB-CD1 4.45Å; I168-L189 HydrophobicContact CG1-CD1 3.77Å; I168-L189 HydrophobicContact CG1-CD2 4.18Å; I168-L192 HydrophobicContact CD1-CD2 3.74Å; I168-L192 HydrophobicContact CG1-CD2 4.04Å; I168-L192 HydrophobicContact CG2-CD1 4.1Å; I168-L192 HydrophobicContact CG2-CD2 4.12Å; I168-L201 HydrophobicContact CD1-CD2 4Å; I168-L201 HydrophobicContact CG2-CD2 4.07Å
169T98.6Very high97.8Very high14 Ų1437 Ų379%0.08622%0.221CC..EExtended strand (participates in β ladder)trans-85.7128.4164.9-57.20000109.2A158 Y159 G161 T178 L181A158-T169 WeakPolarHBondContact CA-O 3.48Å; Y159-T169 HydrophobicContact CE1-CG2 3.91Å; Y159-T169 HydrophobicContact CE2-CG2 4.26Å; Y159-T169 PolarHBondContact N-O 2.75Å; Y159-T169 VanDerWaalsContact N-O 3.12Å; Y159-T169 PolarHBondContact O-N 2.78Å; G161-T169 WeakPolarHBondContact CA-OG1 3.42Å; T169-T178 HydrophobicContact CG2-CG2 3.78Å; T169-L181 WeakPolarHBondContact OG1-CD1 3.43Å
170V98.7Very high97.7Very high0 Ų037.4 Ų37.40%023%0.226CC..EExtended strand (participates in β ladder)trans-106124.5169.5-1770000108.8Y156 V179 T180 I182 L201 V216Y156-V170 HydrophobicContact CD1-CG1 4.38Å; Y156-V170 HydrophobicContact CG-CG1 4.34Å; V170-V179 HydrophobicContact CG1-CB 4.45Å; V170-V179 PolarHBondContact O-N 3.18Å; V170-T180 HydrophobicContact CB-CG2 3.73Å; V170-T180 HydrophobicContact CG1-CG2 4.43Å; V170-T180 HydrophobicContact CG2-CG2 3.82Å; V170-T180 PolarHBondContact N-O 2.96Å; V170-T180 PolarHBondContact O-N 2.94Å; V170-I182 HydrophobicContact CG2-CD1 3.9Å; V170-I182 HydrophobicContact CG2-CG1 4.46Å; V170-L201 HydrophobicContact CG2-CD2 4.19Å; V170-V216 HydrophobicContact CG1-CG1 4.11Å
171Y98.6Very high97.7Very high7 Ų741.1 Ų41.13%0.02725%0.245CC..EExtended strand (participates in β ladder)trans-124.9132.9-173.6-174.3-94000110.2I123 L135 Y156 L157 A173 L176 S177I123-Y171 HydrophobicContact CD1-CD1 3.86Å; I123-Y171 HydrophobicContact CD1-CE1 3.47Å; I123-Y171 VanDerWaalsContact CD1-CE1 3.47Å; L135-Y171 HydrophobicContact CD1-CD1 4.32Å; L135-Y171 HydrophobicContact CD1-CD2 4.42Å; L135-Y171 HydrophobicContact CD1-CE1 4.36Å; L135-Y171 HydrophobicContact CD1-CE2 4.49Å; L135-Y171 HydrophobicContact CD1-CG 4.34Å; L135-Y171 HydrophobicContact CD2-CE1 4.25Å; L135-Y171 HydrophobicContact CD2-CE2 3.86Å; Y156-Y171 CarbonylContact C-O 3.45Å; Y156-Y171 WeakPolarHBondContact CA-O 3.41Å; L157-Y171 HydrophobicContact CD2-CD1 4.5Å; L157-Y171 PolarHBondContact N-O 2.66Å; L157-Y171 PolarHBondContact O-N 3.39Å; Y171-A173 PolarHBondContact O-N 2.86Å; Y171-L176 HydrophobicContact CE1-CD2 4.34Å; Y171-L176 VanDerWaalsContact OH-CA 3.26Å; Y171-L176 WeakPolarHBondContact OH-CA 3.49Å; Y171-L176 PolarHBondContact OH-O 3.46Å; Y171-S177 VanDerWaalsContact CD2-C 3.44Å; Y171-S177 WeakPolarHBondContact CD2-O 3.47Å; Y171-S177 VanDerWaalsContact CE2-C 3.46Å
172D98.1Very high97.7Very high18 Ų1840.6 Ų40.610%0.09624%0.238CC..EExtended strand (participates in β ladder)trans-80.1108.2174.8-171.4-32.8000109.1Y156 N174 N175 L176 S177 V179Y156-D172 HydrophobicContact CD1-CB 4.29Å; Y156-D172 HydrophobicContact CE1-CB 4.27Å; D172-N174 VanDerWaalsContact C-N 3.25Å; D172-N174 PolarHBondContact O-N 2.87Å; D172-N174 VanDerWaalsContact OD1-CA 3.3Å; D172-N174 WeakPolarHBondContact OD1-CA 3.48Å; D172-N174 VanDerWaalsContact OD1-CB 3.29Å; D172-N174 WeakPolarHBondContact OD1-CB 3.25Å; D172-N174 PolarHBondContact OD1-N 2.9Å; D172-N175 HydrophobicContact CB-CB 4.3Å; D172-N175 PolarHBondContact OD1-N 3.13Å; D172-N175 PolarHBondContact OD2-ND2 2.82Å; D172-L176 WeakPolarHBondContact O-CA 3.27Å; D172-L176 PolarHBondContact O-N 2.67Å; D172-S177 PolarHBondContact N-O 3.03Å; D172-S177 PolarHBondContact O-N 2.85Å; D172-V179 HydrophobicContact CB-CG2 3.64Å
173A97.9Very high97.8Very high0 Ų045.1 Ų45.10%026%0.257CS..THydrogen-bonded Turntrans-78-10.6178.500000112.7R112 I123 S155 Y171 L176R112-A173 HydrophobicContact CG-CB 4.02Å; R112-A173 PolarHBondContact NE-O 3.35Å; R112-A173 PolarHBondContact NH2-O 3.32Å; R112-A173 VanDerWaalsContact NH2-O 3.13Å; I123-A173 HydrophobicContact CD1-CB 4.49Å; I123-A173 HydrophobicContact CG2-CB 4.25Å; S155-A173 VanDerWaalsContact O-CB 3.25Å; S155-A173 WeakPolarHBondContact O-CB 3.44Å; S155-A173 PolarHBondContact O-N 3.18Å; Y171-A173 PolarHBondContact O-N 2.86Å; A173-L176 WeakPolarHBondContact O-CD2 3.45Å
174N96.4Very high97.8Very high35 Ų3543 Ų4319%0.18724%0.238CC..THydrogen-bonded Turntrans-82.5-53.6172.2-75.2-14.8000111.1Q111 H152 G153 S155 D172Q111-N174 VanDerWaalsContact CD-OD1 3.24Å; Q111-N174 WeakPolarHBondContact CG-OD1 3.48Å; Q111-N174 PolarHBondContact NE2-OD1 3.4Å; H152-N174 PolarHBondContact O-ND2 3.25Å; G153-N174 PolarHBondContact O-ND2 3.05Å; S155-N174 WeakPolarHBondContact CB-ND2 3.13Å; S155-N174 WeakPolarHBondContact CB-OD1 3.46Å; D172-N174 VanDerWaalsContact C-N 3.25Å; D172-N174 PolarHBondContact O-N 2.87Å; D172-N174 VanDerWaalsContact OD1-CA 3.3Å; D172-N174 WeakPolarHBondContact OD1-CA 3.48Å; D172-N174 VanDerWaalsContact OD1-CB 3.29Å; D172-N174 WeakPolarHBondContact OD1-CB 3.25Å; D172-N174 PolarHBondContact OD1-N 2.9Å
175N97.1Very high97.9Very high122 Ų12238.3 Ų38.365%0.65221%0.209SC*.THydrogen-bonded Turntrans-85.6-8.8-179.6-65.6-60.1000114D172 S177D172-N175 HydrophobicContact CB-CB 4.3Å; D172-N175 PolarHBondContact OD1-N 3.13Å; D172-N175 PolarHBondContact OD2-ND2 2.82Å; N175-S177 PolarHBondContact O-N 2.52Å
176L97.8Very high97.9Very high57 Ų5741.3 Ų41.330%0.29823%0.226SC..THydrogen-bonded Turntrans59.441178.3-55.5175.3000113.6I123 L132 K133 Y171 D172 A173I123-L176 HydrophobicContact CG2-CD2 4.36Å; L132-L176 HydrophobicContact CB-CD1 4.24Å; K133-L176 HydrophobicContact CB-CD1 4.31Å; K133-L176 HydrophobicContact CB-CD2 3.95Å; Y171-L176 HydrophobicContact CE1-CD2 4.34Å; Y171-L176 VanDerWaalsContact OH-CA 3.26Å; Y171-L176 WeakPolarHBondContact OH-CA 3.49Å; Y171-L176 PolarHBondContact OH-O 3.46Å; D172-L176 WeakPolarHBondContact O-CA 3.27Å; D172-L176 PolarHBondContact O-N 2.67Å; A173-L176 WeakPolarHBondContact O-CD2 3.45Å
177S97.4Very high97.8Very high55 Ų5542.1 Ų42.139%0.38523%0.232SC..EExtended strand (participates in β ladder)trans-132.6150.9-178.455.30000112.7Y171 D172 N175Y171-S177 VanDerWaalsContact CD2-C 3.44Å; Y171-S177 WeakPolarHBondContact CD2-O 3.47Å; Y171-S177 VanDerWaalsContact CE2-C 3.46Å; D172-S177 PolarHBondContact N-O 3.03Å; D172-S177 PolarHBondContact O-N 2.85Å; N175-S177 PolarHBondContact O-N 2.52Å
178T97.6Very high97.8Very high89 Ų8942 Ų4255%0.54623%0.233SC..EExtended strand (participates in β ladder)trans-73.3135.4170.6-52.90000109.9T169T169-T178 HydrophobicContact CG2-CG2 3.78Å
179V97.4Very high97.8Very high55 Ų5542.5 Ų42.533%0.33324%0.236SC..EExtended strand (participates in β ladder)trans-103.9-54.3-174.1-179.90000111.5Y156 V170 D172 P217Y156-V179 HydrophobicContact CD1-CG2 4.23Å; Y156-V179 HydrophobicContact CE1-CG2 4.02Å; V170-V179 HydrophobicContact CG1-CB 4.45Å; V170-V179 PolarHBondContact O-N 3.18Å; D172-V179 HydrophobicContact CB-CG2 3.64Å; V179-P217 HydrophobicContact CG1-CB 3.58Å
180T97.5Very high97.7Very high32 Ų3243.3 Ų43.320%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-152.9162.3-177.7-169.70000111.4V170 I182 P217V170-T180 HydrophobicContact CB-CG2 3.73Å; V170-T180 HydrophobicContact CG1-CG2 4.43Å; V170-T180 HydrophobicContact CG2-CG2 3.82Å; V170-T180 PolarHBondContact N-O 2.96Å; V170-T180 PolarHBondContact O-N 2.94Å; T180-I182 HydrophobicContact CG2-CD1 4.3Å; T180-I182 HydrophobicContact CG2-CG1 4.11Å; T180-P217 WeakPolarHBondContact CG2-O 3.49Å
181L98.2Very high97.7Very high87 Ų8743.8 Ų43.846%0.45525%0.248SC..EExtended strand (participates in β ladder)trans-129.2114.9-180-168.769.9000108.5E167 I168 T169E167-L181 HydrophobicContact CG-CD1 3.75Å; E167-L181 HydrophobicContact CG-CD2 4.37Å; E167-L181 HydrophobicContact CG-CG 3.85Å; I168-L181 WeakPolarHBondContact O-CA 3.39Å; T169-L181 WeakPolarHBondContact OG1-CD1 3.43Å
182I98.7Very high97.7Very high6 Ų644.2 Ų44.23%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-107.9114.8-169.1-53.3176.5000109.6E167 I168 V170 T180 A184 L201 F214E167-I182 CarbonylContact C-O 3.57Å; E167-I182 WeakPolarHBondContact CA-O 3.29Å; I168-I182 HydrophobicContact CB-CB 4.25Å; I168-I182 HydrophobicContact CD1-CB 4.44Å; I168-I182 HydrophobicContact CD1-CG2 4.5Å; I168-I182 PolarHBondContact N-O 3.33Å; I168-I182 PolarHBondContact O-N 2.85Å; V170-I182 HydrophobicContact CG2-CD1 3.9Å; V170-I182 HydrophobicContact CG2-CG1 4.46Å; T180-I182 HydrophobicContact CG2-CD1 4.3Å; T180-I182 HydrophobicContact CG2-CG1 4.11Å; I182-A184 VanDerWaalsContact C-N 3.35Å; I182-A184 HydrophobicContact CG2-CB 4.23Å; I182-A184 PolarHBondContact O-N 2.81Å; I182-L201 HydrophobicContact CD1-CD2 4.25Å; I182-F214 HydrophobicContact CD1-CB 4.13Å; I182-F214 HydrophobicContact CD1-CG 4.37Å; I182-F214 HydrophobicContact CG2-CD1 3.43Å; I182-F214 VanDerWaalsContact CG2-CD1 3.43Å; I182-F214 HydrophobicContact CG2-CD2 4.21Å; I182-F214 HydrophobicContact CG2-CE1 3.46Å; I182-F214 VanDerWaalsContact CG2-CE1 3.46Å; I182-F214 HydrophobicContact CG2-CE2 4.23Å; I182-F214 HydrophobicContact CG2-CG 3.84Å; I182-F214 HydrophobicContact CG2-CZ 3.89Å
183Q98.2Very high97.7Very high120 Ų12044.6 Ų44.656%0.56125%0.254SS*.EExtended strand (participates in β ladder)trans-75.484.9170.9-60.9-59.2-21.100109.7E167E167-Q183 PolarHBondContact OE2-NE2 2.94Å
184A97.9Very high97.7Very high2 Ų245.2 Ų45.22%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-89.9-37.6-168.900000114.1G166 I168 I182 R212 F214G166-A184 CarbonylContact O-C 3.57Å; G166-A184 WeakPolarHBondContact O-CA 3.25Å; G166-A184 VanDerWaalsContact O-CB 3.31Å; G166-A184 WeakPolarHBondContact O-CB 3.41Å; G166-A184 PolarHBondContact O-N 3.44Å; I168-A184 HydrophobicContact CD1-CB 3.64Å; I168-A184 HydrophobicContact CG1-CB 3.92Å; I182-A184 VanDerWaalsContact C-N 3.35Å; I182-A184 HydrophobicContact CG2-CB 4.23Å; I182-A184 PolarHBondContact O-N 2.81Å; A184-R212 WeakPolarHBondContact O-CD 3.3Å; A184-R212 PolarHBondContact O-NH1 3.46Å; A184-F214 HydrophobicContact CB-CE2 3.68Å; A184-F214 HydrophobicContact CB-CZ 3.57Å
185H97.9Very high97.8Very high9 Ų943.8 Ų43.84%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-150.5153.7-177.6-54.3-101.6000114G166 S187 S203 S205G166-H185 WeakPolarHBondContact CA-O 3.4Å; G166-H185 PolarHBondContact N-O 2.82Å; G166-H185 PolarHBondContact O-N 3.2Å; H185-S187 PolarHBondContact O-N 3.2Å; H185-S203 PolarHBondContact NE2-OG 2.83Å; H185-S205 PolarHBondContact ND1-OG 3.43Å; H185-S205 VanDerWaalsContact ND1-OG 3.15Å
186D96.8Very high97.7Very high129 Ų12940.1 Ų40.169%0.6924%0.235SC*.SBendtrans-8332.6176.6-33.6-89.7000112.7K207D186-K207 PolarHBondContact O-NZ 2.86Å
187S96.9Very high97.7Very high17 Ų1739.7 Ų39.712%0.11924%0.237CC..SBendtrans-168.6150.9-174.8-1490000109.1G166 H185 S205 K207G166-S187 WeakPolarHBondContact CA-O 3.42Å; G166-S187 PolarHBondContact N-O 2.85Å; H185-S187 PolarHBondContact O-N 3.2Å; S187-S205 WeakPolarHBondContact O-CB 3.46Å; S187-K207 VanDerWaalsContact OG-CE 3.28Å; S187-K207 WeakPolarHBondContact OG-CE 3.47Å
188P97.9Very high97.6Very high27 Ų2737 Ų3718%0.17522%0.219CC..  trans-53.7154-177.8-25.134.2000113.7A163 S205 E206A163-P188 WeakPolarHBondContact O-CG 3.48Å; P188-S205 CarbonylContact O-C 3.56Å; P188-S205 WeakPolarHBondContact O-CA 3.28Å; P188-S205 WeakPolarHBondContact O-CB 3.32Å; P188-E206 HydrophobicContact CB-CG 4.34Å; P188-E206 WeakPolarHBondContact CG-OE2 3.2Å; P188-E206 PolarHBondContact O-N 3.49Å
189L98.3Very high97.6Very high12 Ų1235.7 Ų35.76%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-76.3133.3-177.5-59.5172.7000110.7L145 P160 E167 I168 L192L145-L189 HydrophobicContact CD2-CB 3.55Å; L145-L189 VanDerWaalsContact CD2-O 3.31Å; L145-L189 WeakPolarHBondContact CD2-O 3.5Å; P160-L189 HydrophobicContact CB-CD1 4.24Å; P160-L189 HydrophobicContact CG-CD1 4.19Å; E167-L189 WeakPolarHBondContact O-CD1 3.37Å; I168-L189 HydrophobicContact CB-CD1 4.45Å; I168-L189 HydrophobicContact CG1-CD1 3.77Å; I168-L189 HydrophobicContact CG1-CD2 4.18Å; L189-L192 HydrophobicContact CD1-CD1 4.11Å; L189-L192 HydrophobicContact CD1-CD2 4.2Å; L189-L192 HydrophobicContact CD1-CG 4.33Å
190A97.4Very high97.6Very high31 Ų3134.6 Ų34.626%0.25620%0.201SC..EExtended strand (participates in β ladder)trans-104.3-28.9173.200000112.6A204 E206A190-A204 PolarHBondContact N-O 2.99Å; A190-E206 HydrophobicContact CB-CG 4.23Å
191A97.9Very high97.7Very high9 Ų933.1 Ų33.17%0.07419%0.192CC..EExtended strand (participates in β ladder)trans-148.2144.7179.700000112.2S203 A204 I235 L238A191-S203 VanDerWaalsContact O-CA 3.3Å; A191-S203 WeakPolarHBondContact O-CA 3.02Å; A191-A204 HydrophobicContact CB-CB 4.5Å; A191-A204 PolarHBondContact N-O 3.13Å; A191-A204 VanDerWaalsContact N-O 3.12Å; A191-A204 PolarHBondContact O-N 2.94Å; A191-I235 HydrophobicContact CB-CG2 3.91Å; A191-L238 HydrophobicContact CB-CD1 3.61Å; A191-L238 HydrophobicContact CB-CG 3.77Å
192L98.2Very high97.7Very high16 Ų1629 Ų298%0.08417%0.17CC..EExtended strand (participates in β ladder)trans-139.4139.2174.4-71.5177.6000108.7L145 A147 A158 I168 L189 A202L145-L192 HydrophobicContact CD1-CB 4.2Å; L145-L192 HydrophobicContact CD1-CG 4.39Å; L145-L192 HydrophobicContact CD2-CG 4.32Å; L145-L192 HydrophobicContact CG-CD1 4.24Å; L145-L192 HydrophobicContact CG-CG 4.31Å; A147-L192 HydrophobicContact CB-CB 4.04Å; A158-L192 HydrophobicContact CB-CD1 4.37Å; I168-L192 HydrophobicContact CD1-CD2 3.74Å; I168-L192 HydrophobicContact CG1-CD2 4.04Å; I168-L192 HydrophobicContact CG2-CD1 4.1Å; I168-L192 HydrophobicContact CG2-CD2 4.12Å; L189-L192 HydrophobicContact CD1-CD1 4.11Å; L189-L192 HydrophobicContact CD1-CD2 4.2Å; L189-L192 HydrophobicContact CD1-CG 4.33Å; L192-A202 WeakPolarHBondContact CA-O 3.42Å
193T98.6Very high97.7Very high27 Ų2728.7 Ų28.717%0.16617%0.169CC..EExtended strand (participates in β ladder)trans-154.6142.5170.9-167.50000111.3A202 L238 F240 L247T193-A202 HydrophobicContact CG2-CB 3.87Å; T193-A202 PolarHBondContact N-O 2.84Å; T193-A202 PolarHBondContact O-N 2.98Å; T193-L238 WeakPolarHBondContact CB-O 3.35Å; T193-L238 HydrophobicContact CG2-CB 3.51Å; T193-L238 WeakPolarHBondContact CG2-O 3.4Å; T193-L238 PolarHBondContact OG1-O 2.9Å; T193-F240 HydrophobicContact CG2-CD2 3.96Å; T193-F240 HydrophobicContact CG2-CE2 3.98Å; T193-L247 HydrophobicContact CG2-CD1 4.37Å
194F98.6Very high97.7Very high13 Ų1323 Ų236%0.05714%0.142CC..EExtended strand (participates in β ladder)trans-91.9152.3171.8-80.1-81.3000110.4A147 A158 K200 L201 V216A147-F194 HydrophobicContact CB-CD2 3.88Å; A147-F194 HydrophobicContact CB-CE2 4.25Å; A147-F194 WeakPolarHBondContact O-CE2 3.13Å; A158-F194 HydrophobicContact CB-CE2 3.62Å; A158-F194 HydrophobicContact CB-CZ 3.79Å; F194-K200 WeakPolarHBondContact CA-O 3.37Å; F194-L201 HydrophobicContact CD1-CB 4.31Å; F194-L201 HydrophobicContact CD1-CD1 3.98Å; F194-L201 HydrophobicContact CD2-CD1 4Å; F194-L201 HydrophobicContact CE1-CB 4.27Å; F194-L201 HydrophobicContact CE1-CD1 3.96Å; F194-L201 HydrophobicContact CE2-CD1 3.97Å; F194-L201 HydrophobicContact CG-CD1 4Å; F194-L201 HydrophobicContact CZ-CD1 3.96Å; F194-V216 HydrophobicContact CE1-CG1 4.2Å; F194-V216 HydrophobicContact CE1-CG2 4.07Å
195N97.8Very high97.6Very high4 Ų423 Ų232%0.02114%0.142CC..  trans-74.9165.1162.179.9-31.6000111S197 G198 T199 K200 F240 A244N195-S197 VanDerWaalsContact C-N 3.26Å; N195-S197 PolarHBondContact ND2-OG 3.43Å; N195-S197 PolarHBondContact O-N 3.19Å; N195-S197 VanDerWaalsContact O-N 3.15Å; N195-S197 PolarHBondContact OD1-OG 3.49Å; N195-G198 PolarHBondContact O-N 3Å; N195-G198 PolarHBondContact OD1-N 3.06Å; N195-T199 PolarHBondContact OD1-N 2.96Å; N195-K200 HydrophobicContact CB-CB 4.14Å; N195-K200 PolarHBondContact N-O 3.11Å; N195-K200 PolarHBondContact OD1-N 3.19Å; N195-K200 PolarHBondContact OD1-O 2.87Å; N195-F240 HydrophobicContact CB-CB 4.07Å; N195-F240 HydrophobicContact CB-CD1 4.01Å; N195-F240 HydrophobicContact CB-CD2 3.7Å; N195-F240 HydrophobicContact CB-CE1 4.32Å; N195-F240 HydrophobicContact CB-CE2 4.01Å; N195-F240 HydrophobicContact CB-CG 3.68Å; N195-F240 HydrophobicContact CB-CZ 4.3Å; N195-F240 VanDerWaalsContact N-CD2 3.35Å; N195-A244 HydrophobicContact CB-CB 3.88Å; N195-A244 VanDerWaalsContact ND2-CB 3.3Å; N195-A244 WeakPolarHBondContact ND2-CB 3.23Å
196A95.9Very high97.5Very high45 Ų4528.1 Ų28.137%0.37217%0.166SC..THydrogen-bonded Turntrans-56.4-35.2-174.500000114N151 G198N151-A196 PolarHBondContact N-O 2.8Å; A196-G198 VanDerWaalsContact C-N 3.34Å
197S95.8Very high97.4Very high48 Ų4825.2 Ų25.234%0.33615%0.147SC..THydrogen-bonded Turntrans-78.1-11.917860.50000114.7N151 N195 T199N151-S197 WeakPolarHBondContact CB-O 3.21Å; N151-S197 PolarHBondContact ND2-O 3.06Å; N195-S197 VanDerWaalsContact C-N 3.26Å; N195-S197 PolarHBondContact ND2-OG 3.43Å; N195-S197 PolarHBondContact O-N 3.19Å; N195-S197 VanDerWaalsContact O-N 3.15Å; N195-S197 PolarHBondContact OD1-OG 3.49Å; S197-T199 VanDerWaalsContact C-N 3.28Å; S197-T199 PolarHBondContact O-N 2.93Å; S197-T199 PolarHBondContact OG-OG1 3.45Å
198G96.3Very high97.2Very high0 Ų024.4 Ų24.40%014%0.142CC..SBendtrans74.610.6-17500000115N195 A196N195-G198 PolarHBondContact O-N 3Å; N195-G198 PolarHBondContact OD1-N 3.06Å; A196-G198 VanDerWaalsContact C-N 3.34Å
199T96.9Very high97Very high61 Ų6124.6 Ų24.637%0.37414%0.142SC..SBendtrans-99.7-11.3-175.259.40000114.4N195 S197 V216N195-T199 PolarHBondContact OD1-N 2.96Å; S197-T199 VanDerWaalsContact C-N 3.28Å; S197-T199 PolarHBondContact O-N 2.93Å; S197-T199 PolarHBondContact OG-OG1 3.45Å; T199-V216 PolarHBondContact O-N 2.99Å
200K98.1Very high96.8Very high32 Ų3225 Ų2514%0.13915%0.146CC..EExtended strand (participates in β ladder)trans-124.6137.3171-59.4180-172.7171.10109.7F194 N195 V213 F214 L222 F240 A244F194-K200 WeakPolarHBondContact CA-O 3.37Å; N195-K200 HydrophobicContact CB-CB 4.14Å; N195-K200 PolarHBondContact N-O 3.11Å; N195-K200 PolarHBondContact OD1-N 3.19Å; N195-K200 PolarHBondContact OD1-O 2.87Å; K200-V213 HydrophobicContact CB-CG1 4.06Å; K200-V213 HydrophobicContact CD-CG1 4.48Å; K200-F214 WeakPolarHBondContact CA-O 3.37Å; K200-L222 HydrophobicContact CG-CD1 4.27Å; K200-F240 HydrophobicContact CB-CE1 4.21Å; K200-F240 HydrophobicContact CB-CZ 3.9Å; K200-F240 HydrophobicContact CD-CE1 4.32Å; K200-A244 HydrophobicContact CD-CB 4.45Å; K200-A244 PolarHBondContact NZ-O 2.99Å
201L98.7Very high96.7Very high0 Ų023.6 Ų23.60%013%0.134CC..EExtended strand (participates in β ladder)trans-120.4120.1173179.472000109.3A158 I168 V170 I182 F194 V213 F214 V216A158-L201 HydrophobicContact CB-CD1 3.8Å; A158-L201 HydrophobicContact CB-CD2 3.96Å; I168-L201 HydrophobicContact CD1-CD2 4Å; I168-L201 HydrophobicContact CG2-CD2 4.07Å; V170-L201 HydrophobicContact CG2-CD2 4.19Å; I182-L201 HydrophobicContact CD1-CD2 4.25Å; F194-L201 HydrophobicContact CD1-CB 4.31Å; F194-L201 HydrophobicContact CD1-CD1 3.98Å; F194-L201 HydrophobicContact CD2-CD1 4Å; F194-L201 HydrophobicContact CE1-CB 4.27Å; F194-L201 HydrophobicContact CE1-CD1 3.96Å; F194-L201 HydrophobicContact CE2-CD1 3.97Å; F194-L201 HydrophobicContact CG-CD1 4Å; F194-L201 HydrophobicContact CZ-CD1 3.96Å; L201-V213 CarbonylContact O-C 3.5Å; L201-V213 WeakPolarHBondContact O-CA 3.43Å; L201-F214 PolarHBondContact N-O 2.91Å; L201-F214 PolarHBondContact O-N 3.04Å; L201-V216 HydrophobicContact CB-CG2 3.68Å
202A98.7Very high96.7Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-95.9145.1172.800000110.8L192 T193 R212 V213 L238 F240 L247L192-A202 WeakPolarHBondContact CA-O 3.42Å; T193-A202 HydrophobicContact CG2-CB 3.87Å; T193-A202 PolarHBondContact N-O 2.84Å; T193-A202 PolarHBondContact O-N 2.98Å; A202-R212 CarbonylContact C-O 3.6Å; A202-R212 WeakPolarHBondContact CA-O 3.43Å; A202-V213 HydrophobicContact CB-CG2 4.11Å; A202-L238 HydrophobicContact CB-CD1 4.44Å; A202-F240 HydrophobicContact CB-CE2 3.59Å; A202-F240 HydrophobicContact CB-CZ 3.57Å; A202-L247 HydrophobicContact CB-CD1 3.81Å; A202-L247 HydrophobicContact CB-CD2 3.75Å; A202-L247 HydrophobicContact CB-CG 4.47Å
203S98.6Very high96.7Very high0 Ų024.2 Ų24.20%013%0.133CC..EExtended strand (participates in β ladder)trans-144.9151.6179.167.40000112.8H185 A191 I211 R212H185-S203 PolarHBondContact NE2-OG 2.83Å; A191-S203 VanDerWaalsContact O-CA 3.3Å; A191-S203 WeakPolarHBondContact O-CA 3.02Å; S203-I211 WeakPolarHBondContact O-CA 3.33Å; S203-R212 PolarHBondContact N-O 3.34Å; S203-R212 PolarHBondContact O-N 2.98Å; S203-R212 PolarHBondContact OG-O 3.38Å
204A98.1Very high96.7Very high0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-139.2149.2166.400000110.4A190 A191 I211 I235 L238A190-A204 PolarHBondContact N-O 2.99Å; A191-A204 HydrophobicContact CB-CB 4.5Å; A191-A204 PolarHBondContact N-O 3.13Å; A191-A204 VanDerWaalsContact N-O 3.12Å; A191-A204 PolarHBondContact O-N 2.94Å; A204-I211 HydrophobicContact CB-CG1 4.16Å; A204-I235 HydrophobicContact CB-CB 4.3Å; A204-I235 HydrophobicContact CB-CG1 3.85Å; A204-I235 HydrophobicContact CB-CG2 4.26Å; A204-L238 HydrophobicContact CB-CD1 4.24Å
205S97.2Very high96.7Very high3 Ų323.2 Ų23.22%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-96.1167.4174.4510000112.6H185 S187 P188 K207 G208H185-S205 PolarHBondContact ND1-OG 3.43Å; H185-S205 VanDerWaalsContact ND1-OG 3.15Å; S187-S205 WeakPolarHBondContact O-CB 3.46Å; P188-S205 CarbonylContact O-C 3.56Å; P188-S205 WeakPolarHBondContact O-CA 3.28Å; P188-S205 WeakPolarHBondContact O-CB 3.32Å; S205-K207 PolarHBondContact O-N 3.44Å; S205-K207 VanDerWaalsContact O-N 3.08Å; S205-G208 WeakPolarHBondContact O-CA 3.45Å; S205-G208 PolarHBondContact O-N 3.12Å
206E95.9Very high96.7Very high116 Ų11623.3 Ų23.354%0.54213%0.128SC..THydrogen-bonded Turntrans-56.7-21.6177.2-66.4178.1144.100114.4P188 A190 G208P188-E206 HydrophobicContact CB-CG 4.34Å; P188-E206 WeakPolarHBondContact CG-OE2 3.2Å; P188-E206 PolarHBondContact O-N 3.49Å; A190-E206 HydrophobicContact CB-CG 4.23Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.36Å
207K94.2Very high96.7Very high68 Ų6823.3 Ų23.330%0.29613%0.125SC..THydrogen-bonded Turntrans-67.1-27.8171.5-71.1169.2-177.51630112D186 S187 S205 T209 Y232 V233D186-K207 PolarHBondContact O-NZ 2.86Å; S187-K207 VanDerWaalsContact OG-CE 3.28Å; S187-K207 WeakPolarHBondContact OG-CE 3.47Å; S205-K207 PolarHBondContact O-N 3.44Å; S205-K207 VanDerWaalsContact O-N 3.08Å; K207-T209 PolarHBondContact O-N 3.48Å; K207-Y232 HydrophobicContact CB-CD1 4.34Å; K207-Y232 HydrophobicContact CB-CE1 4.35Å; K207-Y232 HydrophobicContact CG-CE1 4.42Å; K207-Y232 VanDerWaalsContact O-CA 3.27Å; K207-Y232 WeakPolarHBondContact O-CA 3.05Å; K207-Y232 WeakPolarHBondContact O-CD1 3.35Å; K207-V233 PolarHBondContact O-N 2.95Å
208G93Very high96.7Very high0 Ų026.2 Ų26.20%013%0.133CC..  trans63.28.8173.700000116.8S205 E206 V233S205-G208 WeakPolarHBondContact O-CA 3.45Å; S205-G208 PolarHBondContact O-N 3.12Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.36Å; G208-V233 WeakPolarHBondContact CA-O 3.38Å; G208-V233 WeakPolarHBondContact O-CG2 3.44Å
209T92Very high96.8Very high31 Ų3127 Ų2719%0.1914%0.141CC..SBendtrans-81.4-33.5-174.750.10000113.7K207 R227 Y232K207-T209 PolarHBondContact O-N 3.48Å; T209-R227 PolarHBondContact O-N 3.23Å; T209-Y232 HydrophobicContact CG2-CD1 3.62Å; T209-Y232 HydrophobicContact CG2-CE1 3.9Å
210V94.1Very high96.8Very high22 Ų2230.2 Ų30.213%0.13315%0.152CC..EExtended strand (participates in β ladder)trans-131.6145-177.5-66.20000111E224 F225V210-E224 HydrophobicContact CB-CG 4.49Å; V210-F225 VanDerWaalsContact CA-O 3.31Å; V210-F225 WeakPolarHBondContact CA-O 3.42Å
211I96.7Very high96.8Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-119.6126.8175-63.8154.3000106.5S203 A204 E224 F225 R227 L238 L247 A249 F259S203-I211 WeakPolarHBondContact O-CA 3.33Å; A204-I211 HydrophobicContact CB-CG1 4.16Å; I211-E224 WeakPolarHBondContact O-CA 3.43Å; I211-F225 PolarHBondContact N-O 2.96Å; I211-F225 PolarHBondContact O-N 2.93Å; I211-R227 HydrophobicContact CD1-CB 4.38Å; I211-R227 HydrophobicContact CD1-CG 3.83Å; I211-L238 HydrophobicContact CD1-CD2 4.37Å; I211-L238 HydrophobicContact CG1-CD2 4.43Å; I211-L238 HydrophobicContact CG2-CD2 4.19Å; I211-L247 HydrophobicContact CG2-CD2 3.76Å; I211-A249 HydrophobicContact CD1-CB 3.42Å; I211-A249 VanDerWaalsContact CD1-CB 3.42Å; I211-F259 HydrophobicContact CD1-CD2 4.43Å; I211-F259 HydrophobicContact CD1-CE2 3.53Å; I211-F259 HydrophobicContact CD1-CZ 4.01Å
212R97.8Very high96.7Very high39 Ų3936.8 Ų36.815%0.14718%0.183CC..EExtended strand (participates in β ladder)trans-118.2139.3-174.6-72.7172.6171.3143.47.6110.4A184 A202 S203 F214 K221 F223 E224A184-R212 WeakPolarHBondContact O-CD 3.3Å; A184-R212 PolarHBondContact O-NH1 3.46Å; A202-R212 CarbonylContact C-O 3.6Å; A202-R212 WeakPolarHBondContact CA-O 3.43Å; S203-R212 PolarHBondContact N-O 3.34Å; S203-R212 PolarHBondContact O-N 2.98Å; S203-R212 PolarHBondContact OG-O 3.38Å; R212-F214 HydrophobicContact CB-CD2 4.46Å; R212-F214 HydrophobicContact CB-CE2 3.5Å; R212-F214 VanDerWaalsContact CB-CE2 3.5Å; R212-F214 HydrophobicContact CB-CZ 3.72Å; R212-K221 HydrophobicContact CG-CD 4.29Å; R212-F223 WeakPolarHBondContact CA-O 3.47Å; R212-E224 HydrophobicContact CG-CB 4.21Å; R212-E224 HydrophobicContact CG-CG 3.92Å; R212-E224 IonicContact CZ-OE1 3.54Å; R212-E224 IonicContact CZ-OE2 3.42Å; R212-E224 IonicContact NE-OE1 3.47Å; R212-E224 PolarHBondContact NE-OE1 2.83Å; R212-E224 IonicContact NE-OE2 2.78Å; R212-E224 PolarHBondContact NE-OE2 3.02Å; R212-E224 VanDerWaalsContact NH2-CD 3.3Å; R212-E224 IonicContact NH2-OE1 2.78Å; R212-E224 PolarHBondContact NH2-OE1 2.9Å; R212-E224 IonicContact NH2-OE2 3.22Å; R212-E224 PolarHBondContact NH2-OE2 3.21Å
213V98.4Very high96.5Very high0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-119.1133.2177.7-1760000109.2K200 L201 A202 L222 F223 F225 F240 L247 L261K200-V213 HydrophobicContact CB-CG1 4.06Å; K200-V213 HydrophobicContact CD-CG1 4.48Å; L201-V213 CarbonylContact O-C 3.5Å; L201-V213 WeakPolarHBondContact O-CA 3.43Å; A202-V213 HydrophobicContact CB-CG2 4.11Å; V213-L222 PolarHBondContact O-N 2.79Å; V213-F223 HydrophobicContact CB-CB 4.05Å; V213-F223 HydrophobicContact CB-CD2 3.95Å; V213-F223 HydrophobicContact CB-CG 4.49Å; V213-F223 HydrophobicContact CG1-CD2 4.12Å; V213-F223 HydrophobicContact CG2-CB 4.27Å; V213-F223 PolarHBondContact N-O 2.88Å; V213-F223 PolarHBondContact O-N 3.16Å; V213-F223 VanDerWaalsContact O-N 3.15Å; V213-F225 HydrophobicContact CG2-CE2 4.27Å; V213-F240 HydrophobicContact CG1-CE1 4.26Å; V213-F240 HydrophobicContact CG1-CZ 3.98Å; V213-L247 HydrophobicContact CG2-CD2 3.71Å; V213-L261 HydrophobicContact CG2-CD2 4.42Å
214F98.6Very high96.4Very high7 Ų741.3 Ų41.33%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-121.6151.9-176.1-57.5-93.8000111.1I182 A184 K200 L201 R212 Q220 K221I182-F214 HydrophobicContact CD1-CB 4.13Å; I182-F214 HydrophobicContact CD1-CG 4.37Å; I182-F214 HydrophobicContact CG2-CD1 3.43Å; I182-F214 VanDerWaalsContact CG2-CD1 3.43Å; I182-F214 HydrophobicContact CG2-CD2 4.21Å; I182-F214 HydrophobicContact CG2-CE1 3.46Å; I182-F214 VanDerWaalsContact CG2-CE1 3.46Å; I182-F214 HydrophobicContact CG2-CE2 4.23Å; I182-F214 HydrophobicContact CG2-CG 3.84Å; I182-F214 HydrophobicContact CG2-CZ 3.89Å; A184-F214 HydrophobicContact CB-CE2 3.68Å; A184-F214 HydrophobicContact CB-CZ 3.57Å; K200-F214 WeakPolarHBondContact CA-O 3.37Å; L201-F214 PolarHBondContact N-O 2.91Å; L201-F214 PolarHBondContact O-N 3.04Å; R212-F214 HydrophobicContact CB-CD2 4.46Å; R212-F214 HydrophobicContact CB-CE2 3.5Å; R212-F214 VanDerWaalsContact CB-CE2 3.5Å; R212-F214 HydrophobicContact CB-CZ 3.72Å; F214-Q220 CarbonylContact C-O 3.52Å; F214-Q220 WeakPolarHBondContact CA-O 3.34Å; F214-K221 HydrophobicContact CD1-CB 3.83Å; F214-K221 HydrophobicContact CD1-CG 4.22Å; F214-K221 HydrophobicContact CE1-CB 3.66Å; F214-K221 HydrophobicContact CE1-CD 4.44Å; F214-K221 HydrophobicContact CE1-CG 3.83Å; F214-K221 HydrophobicContact CZ-CG 4.25Å
215S98Very high96.1Very high12 Ų1241.6 Ų41.68%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-73152.5166.781.90000110.4E218 G219 Q220S215-E218 VanDerWaalsContact CB-OE2 3.25Å; S215-E218 WeakPolarHBondContact CB-OE2 3.33Å; S215-E218 PolarHBondContact OG-OE2 2.96Å; S215-G219 VanDerWaalsContact O-CA 3.25Å; S215-G219 WeakPolarHBondContact O-CA 3.27Å; S215-G219 PolarHBondContact O-N 2.84Å; S215-Q220 PolarHBondContact N-O 2.68Å; S215-Q220 PolarHBondContact OG-N 3.08Å
216V97.5Very high95.8Very high5 Ų546 Ų463%0.0322%0.221CC..THydrogen-bonded Turntrans-136.9128.5174.3-179.10000107.4Y156 V170 F194 T199 L201Y156-V216 HydrophobicContact CD2-CG1 3.42Å; Y156-V216 VanDerWaalsContact CD2-CG1 3.42Å; Y156-V216 HydrophobicContact CE2-CG1 3.71Å; Y156-V216 HydrophobicContact CG-CG1 3.97Å; V170-V216 HydrophobicContact CG1-CG1 4.11Å; F194-V216 HydrophobicContact CE1-CG1 4.2Å; F194-V216 HydrophobicContact CE1-CG2 4.07Å; T199-V216 PolarHBondContact O-N 2.99Å; L201-V216 HydrophobicContact CB-CG2 3.68Å
217P96.3Very high95.2Very high46 Ų4641.9 Ų41.930%0.29920%0.2SC..THydrogen-bonded Turncis-84-7.814.432.7-38.7000118V179 T180 G219V179-P217 HydrophobicContact CG1-CB 3.58Å; T180-P217 WeakPolarHBondContact CG2-O 3.49Å; P217-G219 PolarHBondContact O-N 3.46Å
218E96.3Very high94.1Very high108 Ų10839.8 Ų39.851%0.50520%0.198SC..THydrogen-bonded Turntrans-77-19-163.9-44.671.2-155.500114.5S215 Q220S215-E218 VanDerWaalsContact CB-OE2 3.25Å; S215-E218 WeakPolarHBondContact CB-OE2 3.33Å; S215-E218 PolarHBondContact OG-OE2 2.96Å; E218-Q220 VanDerWaalsContact C-N 3.3Å; E218-Q220 HydrophobicContact CB-CG 4.08Å; E218-Q220 PolarHBondContact O-N 3.34Å
219G97.1Very high92.6Very high16 Ų1647 Ų4717%0.16523%0.234CC..  trans74.512.5179.400000115S215 P217S215-G219 VanDerWaalsContact O-CA 3.25Å; S215-G219 WeakPolarHBondContact O-CA 3.27Å; S215-G219 PolarHBondContact O-N 2.84Å; P217-G219 PolarHBondContact O-N 3.46Å
220Q97.6Very high91.1Very high129 Ų12954.9 Ų54.960%0.60327%0.265SS*.  trans-73.8132.5-178.1-62.5-177.213.100110.7F214 S215 E218 L222F214-Q220 CarbonylContact C-O 3.52Å; F214-Q220 WeakPolarHBondContact CA-O 3.34Å; S215-Q220 PolarHBondContact N-O 2.68Å; S215-Q220 PolarHBondContact OG-N 3.08Å; E218-Q220 VanDerWaalsContact C-N 3.3Å; E218-Q220 HydrophobicContact CB-CG 4.08Å; E218-Q220 PolarHBondContact O-N 3.34Å; Q220-L222 PolarHBondContact O-N 2.96Å; Q220-L222 VanDerWaalsContact O-N 3.17Å
221K97.6Very high90.4Very high114 Ų11462.1 Ų62.150%0.49629%0.29SS..EExtended strand (participates in β ladder)trans-69.7112.4176.5-168-175.471.9179.40110.1R212 F214 E224R212-K221 HydrophobicContact CG-CD 4.29Å; F214-K221 HydrophobicContact CD1-CB 3.83Å; F214-K221 HydrophobicContact CD1-CG 4.22Å; F214-K221 HydrophobicContact CE1-CB 3.66Å; F214-K221 HydrophobicContact CE1-CD 4.44Å; F214-K221 HydrophobicContact CE1-CG 3.83Å; F214-K221 HydrophobicContact CZ-CG 4.25Å; K221-E224 HydrophobicContact CD-CB 4.39Å; K221-E224 IonicContact NZ-OE2 2.69Å; K221-E224 PolarHBondContact NZ-OE2 3.14Å
222L96.3Very high90.1Very high56 Ų5669.8 Ų69.829%0.29332%0.32SS..EExtended strand (participates in β ladder)trans-87.8-40.4179-61.8177.1000112.3K200 V213 Q220K200-L222 HydrophobicContact CG-CD1 4.27Å; V213-L222 PolarHBondContact O-N 2.79Å; Q220-L222 PolarHBondContact O-N 2.96Å; Q220-L222 VanDerWaalsContact O-N 3.17Å
223F95.9Very high89.8Confident24 Ų2468.3 Ų68.311%0.10532%0.315CS..EExtended strand (participates in β ladder)trans-142.5152.4-175.6-54.8-87.8000112.2R212 V213 F225 L261 E262 Q263R212-F223 WeakPolarHBondContact CA-O 3.47Å; V213-F223 HydrophobicContact CB-CB 4.05Å; V213-F223 HydrophobicContact CB-CD2 3.95Å; V213-F223 HydrophobicContact CB-CG 4.49Å; V213-F223 HydrophobicContact CG1-CD2 4.12Å; V213-F223 HydrophobicContact CG2-CB 4.27Å; V213-F223 PolarHBondContact N-O 2.88Å; V213-F223 PolarHBondContact O-N 3.16Å; V213-F223 VanDerWaalsContact O-N 3.15Å; F223-F225 HydrophobicContact CB-CD2 4.28Å; F223-F225 HydrophobicContact CB-CE2 3.49Å; F223-F225 VanDerWaalsContact CB-CE2 3.49Å; F223-F225 HydrophobicContact CB-CZ 3.64Å; F223-F225 HydrophobicContact CD1-CE2 4.42Å; F223-F225 AromaticContact CD1-CZ 3.77Å; F223-F225 HydrophobicContact CD1-CZ 3.77Å; F223-F225 HydrophobicContact CG-CE2 4.04Å; F223-F225 AromaticContact CG-CZ 3.87Å; F223-F225 HydrophobicContact CG-CZ 3.87Å; F223-L261 HydrophobicContact CD2-CD2 4.18Å; F223-L261 HydrophobicContact CE2-CB 4.18Å; F223-L261 HydrophobicContact CE2-CD2 4.38Å; F223-L261 HydrophobicContact CG-CD2 4.36Å; F223-L261 VanDerWaalsContact CZ-C 3.48Å; F223-L261 HydrophobicContact CZ-CB 4.03Å; F223-L261 VanDerWaalsContact CZ-O 3.23Å; F223-L261 WeakPolarHBondContact CZ-O 3.4Å; F223-E262 WeakPolarHBondContact CE1-O 3.47Å; F223-Q263 HydrophobicContact CE1-CG 4.43Å; F223-Q263 HydrophobicContact CZ-CG 3.77Å
224E95Very high89.5Confident71 Ų7171.6 Ų71.633%0.33234%0.338SS..EExtended strand (participates in β ladder)trans-142.4103.6171.9-179.2163.5158.100110.6V210 I211 R212 K221V210-E224 HydrophobicContact CB-CG 4.49Å; I211-E224 WeakPolarHBondContact O-CA 3.43Å; R212-E224 HydrophobicContact CG-CB 4.21Å; R212-E224 HydrophobicContact CG-CG 3.92Å; R212-E224 IonicContact CZ-OE1 3.54Å; R212-E224 IonicContact CZ-OE2 3.42Å; R212-E224 IonicContact NE-OE1 3.47Å; R212-E224 PolarHBondContact NE-OE1 2.83Å; R212-E224 IonicContact NE-OE2 2.78Å; R212-E224 PolarHBondContact NE-OE2 3.02Å; R212-E224 VanDerWaalsContact NH2-CD 3.3Å; R212-E224 IonicContact NH2-OE1 2.78Å; R212-E224 PolarHBondContact NH2-OE1 2.9Å; R212-E224 IonicContact NH2-OE2 3.22Å; R212-E224 PolarHBondContact NH2-OE2 3.21Å; K221-E224 HydrophobicContact CD-CB 4.39Å; K221-E224 IonicContact NZ-OE2 2.69Å; K221-E224 PolarHBondContact NZ-OE2 3.14Å
225F93.2Very high89.3Confident6 Ų671.6 Ų71.63%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-97.9141.7-177.6-59.4-67.8000111.7V210 I211 V213 F223 F259 K260 L261 D301V210-F225 VanDerWaalsContact CA-O 3.31Å; V210-F225 WeakPolarHBondContact CA-O 3.42Å; I211-F225 PolarHBondContact N-O 2.96Å; I211-F225 PolarHBondContact O-N 2.93Å; V213-F225 HydrophobicContact CG2-CE2 4.27Å; F223-F225 HydrophobicContact CB-CD2 4.28Å; F223-F225 HydrophobicContact CB-CE2 3.49Å; F223-F225 VanDerWaalsContact CB-CE2 3.49Å; F223-F225 HydrophobicContact CB-CZ 3.64Å; F223-F225 HydrophobicContact CD1-CE2 4.42Å; F223-F225 AromaticContact CD1-CZ 3.77Å; F223-F225 HydrophobicContact CD1-CZ 3.77Å; F223-F225 HydrophobicContact CG-CE2 4.04Å; F223-F225 AromaticContact CG-CZ 3.87Å; F223-F225 HydrophobicContact CG-CZ 3.87Å; F225-F259 HydrophobicContact CB-CD1 3.53Å; F225-F259 HydrophobicContact CB-CD2 4.31Å; F225-F259 HydrophobicContact CB-CE1 3.7Å; F225-F259 HydrophobicContact CB-CE2 4.47Å; F225-F259 HydrophobicContact CB-CG 3.85Å; F225-F259 HydrophobicContact CB-CZ 4.18Å; F225-F259 HydrophobicContact CD1-CB 3.87Å; F225-F259 AromaticContact CD1-CD1 3.76Å; F225-F259 HydrophobicContact CD1-CD1 3.76Å; F225-F259 HydrophobicContact CD1-CG 4.02Å; F225-F259 HydrophobicContact CD2-CB 3.84Å; F225-F259 HydrophobicContact CD2-CD1 4.42Å; F225-F259 HydrophobicContact CD2-CD2 4.46Å; F225-F259 AromaticContact CD2-CG 3.99Å; F225-F259 HydrophobicContact CD2-CG 3.99Å; F225-F259 HydrophobicContact CE1-CB 4.01Å; F225-F259 HydrophobicContact CE2-CB 3.98Å; F225-F259 HydrophobicContact CG-CB 3.79Å; F225-F259 AromaticContact CG-CD1 3.63Å; F225-F259 HydrophobicContact CG-CD1 3.63Å; F225-F259 HydrophobicContact CG-CD2 4.38Å; F225-F259 HydrophobicContact CG-CE1 4.32Å; F225-F259 AromaticContact CG-CG 3.66Å; F225-F259 HydrophobicContact CG-CG 3.66Å; F225-F259 HydrophobicContact CZ-CB 4.07Å; F225-K260 WeakPolarHBondContact CZ-O 3.33Å; F225-L261 HydrophobicContact CE2-CD2 3.49Å; F225-L261 VanDerWaalsContact CE2-CD2 3.49Å; F225-L261 HydrophobicContact CZ-CD2 3.66Å; F225-D301 HydrophobicContact CD1-CB 4.14Å; F225-D301 HydrophobicContact CE1-CB 4.47Å
226R90Very high89.1Confident96 Ų9673.1 Ų73.136%0.36235%0.35SS..EExtended strand (participates in β ladder)trans-103.4103.8-177.9-164.9167.2-174.4-152.7-2.7112G228 M229R226-G228 VanDerWaalsContact C-N 3.29Å; R226-G228 PolarHBondContact NE-O 3.32Å; R226-G228 PolarHBondContact O-N 3.15Å; R226-M229 PolarHBondContact NH2-O 3.3Å
227R84.3Confident89Confident29 Ų2973.9 Ų73.911%0.10936%0.355CS..  trans-63.1-32.2-177-138.8-68.3-73.4175.1-42.5112.9T209 I211 I235 S251 T253 H257T209-R227 PolarHBondContact O-N 3.23Å; I211-R227 HydrophobicContact CD1-CB 4.38Å; I211-R227 HydrophobicContact CD1-CG 3.83Å; R227-I235 HydrophobicContact CG-CD1 4.44Å; R227-S251 PolarHBondContact NH2-OG 2.76Å; R227-T253 PolarHBondContact NH2-OG1 3.08Å; R227-H257 WeakPolarHBondContact CD-CD2 3.44Å; R227-H257 WeakPolarHBondContact CD-NE2 3.49Å; R227-H257 PolarHBondContact NH1-NE2 3.09Å
228G71.3Confident89.1Confident24 Ų2472.3 Ų72.325%0.24734%0.344CS..  trans-171.5161.4178.700000114.1R226R226-G228 VanDerWaalsContact C-N 3.29Å; R226-G228 PolarHBondContact NE-O 3.32Å; R226-G228 PolarHBondContact O-N 3.15Å
229M61.5Low89.2Confident152 Ų15268 Ų6875%0.74933%0.325SS*.SBendtrans-75.7-26.3-169.8-66.6-176.8177.900115R226R226-M229 PolarHBondContact NH2-O 3.3Å
230K60.2Low89.3Confident196 Ų19667.8 Ų67.885%0.85232%0.32SS*.SBendtrans-160.5-9.8-179-146.4171.7-179.8178.30117.7
231R79.1Confident89.3Confident175 Ų17562 Ų6266%0.6629%0.294SS*.  trans-87.3125.2-176.8-176.3-179.4-71.7-173.5-1110.3V233R231-V233 HydrophobicContact CG-CG1 4.07Å
232Y89.9Confident89.1Confident161 Ų16159.9 Ų59.963%0.63130%0.298SS*.  trans-74.1144.4166.3-63.9-16.7000110.5K207 T209K207-Y232 HydrophobicContact CB-CD1 4.34Å; K207-Y232 HydrophobicContact CB-CE1 4.35Å; K207-Y232 HydrophobicContact CG-CE1 4.42Å; K207-Y232 VanDerWaalsContact O-CA 3.27Å; K207-Y232 WeakPolarHBondContact O-CA 3.05Å; K207-Y232 WeakPolarHBondContact O-CD1 3.35Å; T209-Y232 HydrophobicContact CG2-CD1 3.62Å; T209-Y232 HydrophobicContact CG2-CE1 3.9Å
233V91.3Very high89Confident7 Ų761.4 Ų61.44%0.04231%0.306CS..  trans-148.8150.2-174.2-65.60000111.1K207 G208 R231 I235 N252 T253K207-V233 PolarHBondContact O-N 2.95Å; G208-V233 WeakPolarHBondContact CA-O 3.38Å; G208-V233 WeakPolarHBondContact O-CG2 3.44Å; R231-V233 HydrophobicContact CG-CG1 4.07Å; V233-I235 HydrophobicContact CG2-CD1 3.95Å; V233-I235 PolarHBondContact O-N 2.84Å; V233-N252 WeakPolarHBondContact CB-OD1 3.34Å; V233-T253 HydrophobicContact CG1-CG2 3.79Å
234S92.7Very high89Confident69 Ų6960.6 Ų60.648%0.48330%0.304SS..  trans-81.6112.6168.7176.80000108.2S251 N252S234-S251 CarbonylContact O-C 3.56Å; S234-S251 WeakPolarHBondContact O-CA 3.47Å; S234-S251 WeakPolarHBondContact O-CB 3.41Å; S234-N252 PolarHBondContact N-OD1 3.03Å; S234-N252 PolarHBondContact O-N 3.23Å; S234-N252 PolarHBondContact O-OD1 3.47Å
235I95.4Very high89Confident7 Ų761.4 Ų61.44%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-71.9126.3170-58.1-57.4000107.8A191 A204 R227 V233 L238A191-I235 HydrophobicContact CB-CG2 3.91Å; A204-I235 HydrophobicContact CB-CB 4.3Å; A204-I235 HydrophobicContact CB-CG1 3.85Å; A204-I235 HydrophobicContact CB-CG2 4.26Å; R227-I235 HydrophobicContact CG-CD1 4.44Å; V233-I235 HydrophobicContact CG2-CD1 3.95Å; V233-I235 PolarHBondContact O-N 2.84Å; I235-L238 HydrophobicContact CG2-CD2 4.08Å; I235-L238 HydrophobicContact CG2-CG 4.17Å
236S93.8Very high89.2Confident45 Ų4561.7 Ų61.732%0.31531%0.309SS..EExtended strand (participates in β ladder)trans-101.2-27.8-174-51.20000112.4S250 S251 N316S236-S250 PolarHBondContact N-O 2.83Å; S236-S251 WeakPolarHBondContact OG-CA 3.21Å; S236-N316 VanDerWaalsContact CB-O 3.26Å; S236-N316 WeakPolarHBondContact CB-O 3.38Å
237S95.4Very high89.5Confident21 Ų2157.1 Ų57.115%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-159.7148.4-179.5-171.30000111.6A249 S250 C318S237-A249 WeakPolarHBondContact O-CA 3.38Å; S237-S250 WeakPolarHBondContact CB-OG 3.46Å; S237-S250 PolarHBondContact O-N 2.89Å; S237-C318 PolarHBondContact OG-N 3.45Å; S237-C318 PolarHBondContact OG-O 2.99Å
238L98.2Very high90.2Very high13 Ų1355.8 Ų55.87%0.06829%0.287CS..EExtended strand (participates in β ladder)trans-131.2133.7169.1-65.5177.7000107.9A191 T193 A202 A204 I211 I235 C248 A249A191-L238 HydrophobicContact CB-CD1 3.61Å; A191-L238 HydrophobicContact CB-CG 3.77Å; T193-L238 WeakPolarHBondContact CB-O 3.35Å; T193-L238 HydrophobicContact CG2-CB 3.51Å; T193-L238 WeakPolarHBondContact CG2-O 3.4Å; T193-L238 PolarHBondContact OG1-O 2.9Å; A202-L238 HydrophobicContact CB-CD1 4.44Å; A204-L238 HydrophobicContact CB-CD1 4.24Å; I211-L238 HydrophobicContact CD1-CD2 4.37Å; I211-L238 HydrophobicContact CG1-CD2 4.43Å; I211-L238 HydrophobicContact CG2-CD2 4.19Å; I235-L238 HydrophobicContact CG2-CD2 4.08Å; I235-L238 HydrophobicContact CG2-CG 4.17Å; L238-C248 WeakPolarHBondContact CA-O 3.28Å; L238-A249 HydrophobicContact CD2-CB 3.46Å; L238-A249 VanDerWaalsContact CD2-CB 3.46Å
239S98.3Very high91.4Very high16 Ų1654.6 Ų54.611%0.11228%0.275CS..EExtended strand (participates in β ladder)trans-147.1130.8176.2168.20000111.2L247 C248 C318 A319 L320S239-L247 WeakPolarHBondContact O-CA 3.31Å; S239-C248 PolarHBondContact N-O 3.13Å; S239-C248 PolarHBondContact O-N 2.97Å; S239-C248 PolarHBondContact O-SG 3.28Å; S239-C318 VanDerWaalsContact CB-O 3.31Å; S239-C318 WeakPolarHBondContact CB-O 3.2Å; S239-A319 WeakPolarHBondContact OG-CA 3.45Å; S239-L320 PolarHBondContact OG-N 3.06Å
240F98.4Very high93Very high13 Ų1347.4 Ų47.46%0.05724%0.239CC..EExtended strand (participates in β ladder)trans-79.6149.9169.3-72.1-86.6000110.6T193 N195 K200 A202 V213 F246 L247 L261T193-F240 HydrophobicContact CG2-CD2 3.96Å; T193-F240 HydrophobicContact CG2-CE2 3.98Å; N195-F240 HydrophobicContact CB-CB 4.07Å; N195-F240 HydrophobicContact CB-CD1 4.01Å; N195-F240 HydrophobicContact CB-CD2 3.7Å; N195-F240 HydrophobicContact CB-CE1 4.32Å; N195-F240 HydrophobicContact CB-CE2 4.01Å; N195-F240 HydrophobicContact CB-CG 3.68Å; N195-F240 HydrophobicContact CB-CZ 4.3Å; N195-F240 VanDerWaalsContact N-CD2 3.35Å; K200-F240 HydrophobicContact CB-CE1 4.21Å; K200-F240 HydrophobicContact CB-CZ 3.9Å; K200-F240 HydrophobicContact CD-CE1 4.32Å; A202-F240 HydrophobicContact CB-CE2 3.59Å; A202-F240 HydrophobicContact CB-CZ 3.57Å; V213-F240 HydrophobicContact CG1-CE1 4.26Å; V213-F240 HydrophobicContact CG1-CZ 3.98Å; F240-F246 WeakPolarHBondContact CA-O 3.16Å; F240-L247 HydrophobicContact CD1-CB 4.3Å; F240-L247 HydrophobicContact CD1-CD1 4.13Å; F240-L247 HydrophobicContact CD2-CD1 4.15Å; F240-L247 HydrophobicContact CE1-CB 4.44Å; F240-L247 HydrophobicContact CE1-CD1 4.22Å; F240-L247 HydrophobicContact CE2-CD1 4.26Å; F240-L247 HydrophobicContact CG-CD1 4.11Å; F240-L247 HydrophobicContact CZ-CD1 4.3Å; F240-L261 HydrophobicContact CD1-CD1 3.64Å; F240-L261 HydrophobicContact CE1-CD1 3.59Å
241S97.2Very high94.6Very high8 Ų838.1 Ų38.16%0.05620%0.199CC..  trans-64.8155.1159.155.80000111D243 A244 Q245 F246S241-D243 VanDerWaalsContact CB-OD1 3.25Å; S241-D243 WeakPolarHBondContact CB-OD1 3.11Å; S241-D243 PolarHBondContact O-N 3.49Å; S241-D243 PolarHBondContact OG-OD1 2.95Å; S241-A244 WeakPolarHBondContact O-CA 3.32Å; S241-A244 PolarHBondContact O-N 2.99Å; S241-Q245 PolarHBondContact OG-N 2.85Å; S241-F246 PolarHBondContact N-O 2.89Å; S241-F246 PolarHBondContact OG-N 3.49Å; S241-F246 PolarHBondContact OG-O 2.92Å
242A94.1Very high95.2Very high69 Ų6932.6 Ų32.657%0.5718%0.182SC*.THydrogen-bonded Turntrans-59.9-30.3-177.600000113.9A244A242-A244 VanDerWaalsContact C-N 3.3Å
243D94.2Very high95.2Very high87 Ų8725.5 Ų25.547%0.46516%0.156SC..THydrogen-bonded Turntrans-82-2.9174.861.112.9000114.1S241 Q245S241-D243 VanDerWaalsContact CB-OD1 3.25Å; S241-D243 WeakPolarHBondContact CB-OD1 3.11Å; S241-D243 PolarHBondContact O-N 3.49Å; S241-D243 PolarHBondContact OG-OD1 2.95Å; D243-Q245 HydrophobicContact CB-CG 4.06Å; D243-Q245 PolarHBondContact O-N 2.84Å; D243-Q245 VanDerWaalsContact O-N 3.16Å; D243-Q245 PolarHBondContact O-NE2 2.97Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.45Å; D243-Q245 PolarHBondContact OD1-N 2.9Å
244A95.3Very high95.1Very high7 Ų728.2 Ų28.26%0.05817%0.168CC..SBendtrans5032.3-174.300000114.8N195 K200 S241 A242 L261N195-A244 HydrophobicContact CB-CB 3.88Å; N195-A244 VanDerWaalsContact ND2-CB 3.3Å; N195-A244 WeakPolarHBondContact ND2-CB 3.23Å; K200-A244 HydrophobicContact CD-CB 4.45Å; K200-A244 PolarHBondContact NZ-O 2.99Å; S241-A244 WeakPolarHBondContact O-CA 3.32Å; S241-A244 PolarHBondContact O-N 2.99Å; A242-A244 VanDerWaalsContact C-N 3.3Å; A244-L261 WeakPolarHBondContact O-CD1 3.28Å
245Q94.9Very high95Very high88 Ų8826.6 Ų26.641%0.41116%0.155SC..SBendtrans-89.3-21.8170.4-58.1-50.2-63.500113S241 D243 L261S241-Q245 PolarHBondContact OG-N 2.85Å; D243-Q245 HydrophobicContact CB-CG 4.06Å; D243-Q245 PolarHBondContact O-N 2.84Å; D243-Q245 VanDerWaalsContact O-N 3.16Å; D243-Q245 PolarHBondContact O-NE2 2.97Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.45Å; D243-Q245 PolarHBondContact OD1-N 2.9Å; Q245-L261 WeakPolarHBondContact O-CB 3.48Å; Q245-L261 WeakPolarHBondContact O-CG 3.27Å; Q245-L261 PolarHBondContact O-N 3.49Å
246F97Very high95Very high13 Ų1326.2 Ų26.26%0.05715%0.154CC..EExtended strand (participates in β ladder)trans-130.2154.5-179-57.3-80.8000112F240 S241 I258 F259 K260 F304 L320 P345F240-F246 WeakPolarHBondContact CA-O 3.16Å; S241-F246 PolarHBondContact N-O 2.89Å; S241-F246 PolarHBondContact OG-N 3.49Å; S241-F246 PolarHBondContact OG-O 2.92Å; F246-I258 HydrophobicContact CB-CG2 4.15Å; F246-I258 HydrophobicContact CD1-CG2 4.14Å; F246-I258 HydrophobicContact CG-CG2 4.48Å; F246-F259 CarbonylContact C-O 3.45Å; F246-F259 VanDerWaalsContact CA-O 3.27Å; F246-F259 WeakPolarHBondContact CA-O 3.23Å; F246-K260 HydrophobicContact CD1-CB 4.26Å; F246-K260 HydrophobicContact CD1-CG 4.07Å; F246-K260 HydrophobicContact CE1-CB 4.2Å; F246-K260 HydrophobicContact CE1-CD 4.11Å; F246-K260 HydrophobicContact CE1-CG 3.66Å; F246-K260 HydrophobicContact CZ-CG 4.42Å; F246-F304 HydrophobicContact CD1-CD1 4.08Å; F246-F304 HydrophobicContact CD1-CE1 4.22Å; F246-F304 AromaticContact CE1-CD1 3.67Å; F246-F304 HydrophobicContact CE1-CD1 3.67Å; F246-F304 AromaticContact CE1-CE1 3.41Å; F246-F304 HydrophobicContact CE1-CE1 3.41Å; F246-F304 VanDerWaalsContact CE1-CE1 3.41Å; F246-F304 HydrophobicContact CE1-CZ 4.1Å; F246-F304 HydrophobicContact CZ-CE1 4.15Å; F246-L320 HydrophobicContact CB-CD1 3.73Å; F246-P345 HydrophobicContact CE2-CB 4.42Å; F246-P345 HydrophobicContact CZ-CB 4.2Å
247L97.9Very high95.1Very high0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-134.4117.9172.4175.267.5000108.6T193 A202 I211 V213 S239 F240 F259 L261T193-L247 HydrophobicContact CG2-CD1 4.37Å; A202-L247 HydrophobicContact CB-CD1 3.81Å; A202-L247 HydrophobicContact CB-CD2 3.75Å; A202-L247 HydrophobicContact CB-CG 4.47Å; I211-L247 HydrophobicContact CG2-CD2 3.76Å; V213-L247 HydrophobicContact CG2-CD2 3.71Å; S239-L247 WeakPolarHBondContact O-CA 3.31Å; F240-L247 HydrophobicContact CD1-CB 4.3Å; F240-L247 HydrophobicContact CD1-CD1 4.13Å; F240-L247 HydrophobicContact CD2-CD1 4.15Å; F240-L247 HydrophobicContact CE1-CB 4.44Å; F240-L247 HydrophobicContact CE1-CD1 4.22Å; F240-L247 HydrophobicContact CE2-CD1 4.26Å; F240-L247 HydrophobicContact CG-CD1 4.11Å; F240-L247 HydrophobicContact CZ-CD1 4.3Å; L247-F259 PolarHBondContact N-O 2.79Å; L247-F259 WeakPolarHBondContact O-CD2 3.21Å; L247-F259 PolarHBondContact O-N 3.37Å; L247-L261 HydrophobicContact CB-CD1 4.29Å; L247-L261 HydrophobicContact CB-CD2 4.22Å
248C97.7Very high95.2Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-93.1149.417071.30000111.7L238 S239 V256 H257 I258 C318 L320 L329L238-C248 WeakPolarHBondContact CA-O 3.28Å; S239-C248 PolarHBondContact N-O 3.13Å; S239-C248 PolarHBondContact O-N 2.97Å; S239-C248 PolarHBondContact O-SG 3.28Å; C248-V256 HydrophobicContact CB-CG1 4.5Å; C248-H257 CarbonylContact C-O 3.59Å; C248-H257 VanDerWaalsContact CA-O 3.25Å; C248-H257 WeakPolarHBondContact CA-O 3.49Å; C248-I258 HydrophobicContact CB-CG1 4.05Å; C248-C318 PolarHBondContact SG-SG 2.92Å; C248-L320 HydrophobicContact CB-CD1 3.81Å; C248-L320 HydrophobicContact CB-CD2 4.37Å; C248-L320 HydrophobicContact CB-CG 3.85Å; C248-L329 HydrophobicContact CB-CD1 3.62Å
249A97.1Very high95.1Very high0 Ų023.6 Ų23.60%013%0.134CC..EExtended strand (participates in β ladder)trans-139.3120.8176.600000110.9I211 S237 L238 V256 H257 F259I211-A249 HydrophobicContact CD1-CB 3.42Å; I211-A249 VanDerWaalsContact CD1-CB 3.42Å; S237-A249 WeakPolarHBondContact O-CA 3.38Å; L238-A249 HydrophobicContact CD2-CB 3.46Å; L238-A249 VanDerWaalsContact CD2-CB 3.46Å; A249-V256 WeakPolarHBondContact O-CG1 3.49Å; A249-H257 PolarHBondContact N-O 2.89Å; A249-H257 PolarHBondContact O-N 2.94Å; A249-F259 HydrophobicContact CB-CE2 4.11Å
250S95.3Very high94.9Very high0 Ų025.2 Ų25.20%014%0.139CC..EExtended strand (participates in β ladder)trans-106.5163.7173.183.20000111.8S236 S237 N316S236-S250 PolarHBondContact N-O 2.83Å; S237-S250 WeakPolarHBondContact CB-OG 3.46Å; S237-S250 PolarHBondContact O-N 2.89Å; S250-N316 WeakPolarHBondContact CB-OD1 3.36Å; S250-N316 PolarHBondContact OG-OD1 3.25Å
251S93.7Very high94.7Very high1 Ų124.9 Ų24.91%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-159.1-177.9-173.958.40000111.4R227 S234 S236 T253 N316R227-S251 PolarHBondContact NH2-OG 2.76Å; S234-S251 CarbonylContact O-C 3.56Å; S234-S251 WeakPolarHBondContact O-CA 3.47Å; S234-S251 WeakPolarHBondContact O-CB 3.41Å; S236-S251 WeakPolarHBondContact OG-CA 3.21Å; S251-T253 PolarHBondContact O-N 2.84Å; S251-T253 PolarHBondContact OG-OG1 3.12Å; S251-N316 PolarHBondContact O-ND2 3.2Å; S251-N316 VanDerWaalsContact O-ND2 3.15Å
252N91.4Very high94.1Very high59 Ų5929.2 Ų29.232%0.31616%0.157SC..SBendtrans-70.91175.275-55.4000115.2V233 S234 G313V233-N252 WeakPolarHBondContact CB-OD1 3.34Å; S234-N252 PolarHBondContact N-OD1 3.03Å; S234-N252 PolarHBondContact O-N 3.23Å; S234-N252 PolarHBondContact O-OD1 3.47Å; N252-G313 PolarHBondContact O-N 3.08Å; N252-G313 VanDerWaalsContact O-N 3.15Å
253T90.6Very high92.9Very high12 Ų1233 Ų337%0.07416%0.162CC..SBendtrans-98.1156.7170.961.40000111.6R227 V233 S251 T255R227-T253 PolarHBondContact NH2-OG1 3.08Å; V233-T253 HydrophobicContact CG1-CG2 3.79Å; S251-T253 PolarHBondContact O-N 2.84Å; S251-T253 PolarHBondContact OG-OG1 3.12Å; T253-T255 PolarHBondContact O-N 2.85Å; T253-T255 PolarHBondContact OG1-OG1 3.04Å
254E88.6Confident91Very high64 Ų6436.3 Ų36.330%0.29918%0.175SC..SBendtrans-56.714.1174.564.1178.5-115.300116.8R308 L309E254-R308 CarbonylContact O-C 3.53Å; E254-R308 WeakPolarHBondContact O-CA 3.3Å; E254-R308 IonicContact OE1-CZ 2.77Å; E254-R308 IonicContact OE1-NE 3.86Å; E254-R308 PolarHBondContact OE1-NE 2.96Å; E254-R308 IonicContact OE1-NH2 2.76Å; E254-R308 PolarHBondContact OE1-NH2 2.79Å; E254-L309 PolarHBondContact O-N 3.11Å
255T91.2Very high88.2Confident35 Ų3540.5 Ų40.522%0.21520%0.204CC..EExtended strand (participates in β ladder)trans-130.1124.4-178.161.50000112.4T253 H257 V307T253-T255 PolarHBondContact O-N 2.85Å; T253-T255 PolarHBondContact OG1-OG1 3.04Å; T255-H257 PolarHBondContact OG1-NE2 3.36Å; T255-V307 WeakPolarHBondContact CA-O 3.49Å
256V94.9Very high85.6Confident0 Ų042.3 Ų42.30%022%0.223CC..EExtended strand (participates in β ladder)trans-94.7137.3160.1-167.50000108.1C248 A249 T306 V307 L309 C318 L329 V331C248-V256 HydrophobicContact CB-CG1 4.5Å; A249-V256 WeakPolarHBondContact O-CG1 3.49Å; V256-T306 WeakPolarHBondContact O-CA 3.31Å; V256-V307 HydrophobicContact CB-CB 4.17Å; V256-V307 HydrophobicContact CB-CG2 4.45Å; V256-V307 PolarHBondContact N-O 3.07Å; V256-V307 PolarHBondContact O-N 2.93Å; V256-L309 HydrophobicContact CG2-CD1 3.81Å; V256-L309 HydrophobicContact CG2-CD2 4.07Å; V256-L309 HydrophobicContact CG2-CG 4.03Å; V256-C318 HydrophobicContact CG1-CB 4.28Å; V256-L329 HydrophobicContact CB-CD2 4.02Å; V256-L329 HydrophobicContact CG1-CD1 4.4Å; V256-L329 HydrophobicContact CG1-CD2 3.82Å; V256-L329 HydrophobicContact CG2-CD2 4.34Å; V256-V331 HydrophobicContact CG2-CG2 4.26Å
257H95.5Very high82.8Confident22 Ų2246.2 Ų46.210%0.10225%0.252CS..EExtended strand (participates in β ladder)trans-113.4138.1179.9-65-97000109.8R227 C248 A249 T255 F259 A303R227-H257 WeakPolarHBondContact CD-CD2 3.44Å; R227-H257 WeakPolarHBondContact CD-NE2 3.49Å; R227-H257 PolarHBondContact NH1-NE2 3.09Å; C248-H257 CarbonylContact C-O 3.59Å; C248-H257 VanDerWaalsContact CA-O 3.25Å; C248-H257 WeakPolarHBondContact CA-O 3.49Å; A249-H257 PolarHBondContact N-O 2.89Å; A249-H257 PolarHBondContact O-N 2.94Å; T255-H257 PolarHBondContact OG1-NE2 3.36Å; H257-F259 HydrophobicContact CB-CE1 4.39Å; H257-F259 HydrophobicContact CB-CE2 3.76Å; H257-F259 HydrophobicContact CB-CZ 3.59Å; H257-A303 HydrophobicContact CB-CB 3.77Å; H257-A303 WeakPolarHBondContact ND1-CB 3.49Å
258I97.1Very high80Confident0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-116.5127.4173.8-55.6175.2000107.4F246 C248 A303 F304 A305 L320 L329 V343F246-I258 HydrophobicContact CB-CG2 4.15Å; F246-I258 HydrophobicContact CD1-CG2 4.14Å; F246-I258 HydrophobicContact CG-CG2 4.48Å; C248-I258 HydrophobicContact CB-CG1 4.05Å; I258-A303 CarbonylContact O-C 3.58Å; I258-A303 WeakPolarHBondContact O-CA 3.39Å; I258-F304 PolarHBondContact O-N 3.11Å; I258-A305 HydrophobicContact CB-CB 4.15Å; I258-A305 HydrophobicContact CD1-CB 4.24Å; I258-A305 PolarHBondContact N-O 2.72Å; I258-A305 PolarHBondContact O-N 2.81Å; I258-L320 HydrophobicContact CD1-CD2 4.12Å; I258-L320 HydrophobicContact CG2-CD1 4.4Å; I258-L329 HydrophobicContact CD1-CB 4.46Å; I258-L329 HydrophobicContact CD1-CD1 4.41Å; I258-V343 HydrophobicContact CD1-CB 4.48Å; I258-V343 HydrophobicContact CD1-CG1 3.96Å; I258-V343 HydrophobicContact CD1-CG2 3.63Å
259F96.2Very high77.1Confident2 Ų263.6 Ų63.61%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-111.1140.7178.3-53.4-79.6000109.5I211 F225 F246 L247 A249 H257 A303I211-F259 HydrophobicContact CD1-CD2 4.43Å; I211-F259 HydrophobicContact CD1-CE2 3.53Å; I211-F259 HydrophobicContact CD1-CZ 4.01Å; F225-F259 HydrophobicContact CB-CD1 3.53Å; F225-F259 HydrophobicContact CB-CD2 4.31Å; F225-F259 HydrophobicContact CB-CE1 3.7Å; F225-F259 HydrophobicContact CB-CE2 4.47Å; F225-F259 HydrophobicContact CB-CG 3.85Å; F225-F259 HydrophobicContact CB-CZ 4.18Å; F225-F259 HydrophobicContact CD1-CB 3.87Å; F225-F259 AromaticContact CD1-CD1 3.76Å; F225-F259 HydrophobicContact CD1-CD1 3.76Å; F225-F259 HydrophobicContact CD1-CG 4.02Å; F225-F259 HydrophobicContact CD2-CB 3.84Å; F225-F259 HydrophobicContact CD2-CD1 4.42Å; F225-F259 HydrophobicContact CD2-CD2 4.46Å; F225-F259 AromaticContact CD2-CG 3.99Å; F225-F259 HydrophobicContact CD2-CG 3.99Å; F225-F259 HydrophobicContact CE1-CB 4.01Å; F225-F259 HydrophobicContact CE2-CB 3.98Å; F225-F259 HydrophobicContact CG-CB 3.79Å; F225-F259 AromaticContact CG-CD1 3.63Å; F225-F259 HydrophobicContact CG-CD1 3.63Å; F225-F259 HydrophobicContact CG-CD2 4.38Å; F225-F259 HydrophobicContact CG-CE1 4.32Å; F225-F259 AromaticContact CG-CG 3.66Å; F225-F259 HydrophobicContact CG-CG 3.66Å; F225-F259 HydrophobicContact CZ-CB 4.07Å; F246-F259 CarbonylContact C-O 3.45Å; F246-F259 VanDerWaalsContact CA-O 3.27Å; F246-F259 WeakPolarHBondContact CA-O 3.23Å; L247-F259 PolarHBondContact N-O 2.79Å; L247-F259 WeakPolarHBondContact O-CD2 3.21Å; L247-F259 PolarHBondContact O-N 3.37Å; A249-F259 HydrophobicContact CB-CE2 4.11Å; H257-F259 HydrophobicContact CB-CE1 4.39Å; H257-F259 HydrophobicContact CB-CE2 3.76Å; H257-F259 HydrophobicContact CB-CZ 3.59Å; F259-A303 HydrophobicContact CD1-CB 4.3Å; F259-A303 HydrophobicContact CE1-CB 3.92Å; F259-A303 HydrophobicContact CZ-CB 4.41Å
260K94.6Very high74.5Confident50 Ų5072.9 Ų72.922%0.21738%0.377CS..EExtended strand (participates in β ladder)trans-92.1141.8175.4-157.3175.1-166.6-161.40109F225 F246 E262 F304F225-K260 WeakPolarHBondContact CZ-O 3.33Å; F246-K260 HydrophobicContact CD1-CB 4.26Å; F246-K260 HydrophobicContact CD1-CG 4.07Å; F246-K260 HydrophobicContact CE1-CB 4.2Å; F246-K260 HydrophobicContact CE1-CD 4.11Å; F246-K260 HydrophobicContact CE1-CG 3.66Å; F246-K260 HydrophobicContact CZ-CG 4.42Å; K260-E262 HydrophobicContact CD-CG 4.16Å; K260-E262 WeakPolarHBondContact CE-OE1 3.49Å; K260-E262 HydrophobicContact CG-CG 4.11Å; K260-E262 IonicContact NZ-OE1 3.84Å; K260-E262 PolarHBondContact NZ-OE1 2.92Å; K260-E262 IonicContact NZ-OE2 2.62Å; K260-F304 HydrophobicContact CB-CB 3.98Å; K260-F304 HydrophobicContact CB-CD1 4.49Å; K260-F304 HydrophobicContact CB-CD2 4.27Å; K260-F304 HydrophobicContact CB-CG 3.99Å; K260-F304 HydrophobicContact CD-CD2 3.88Å; K260-F304 HydrophobicContact CD-CE2 3.89Å; K260-F304 HydrophobicContact CD-CG 4.32Å; K260-F304 HydrophobicContact CD-CZ 4.33Å
261L93.4Very high71.7Confident5 Ų581 Ų813%0.02642%0.415CS..  trans-108.245.2-169.5-56.6175.6000111.5V213 F223 F225 F240 A244 Q245 L247 Q263V213-L261 HydrophobicContact CG2-CD2 4.42Å; F223-L261 HydrophobicContact CD2-CD2 4.18Å; F223-L261 HydrophobicContact CE2-CB 4.18Å; F223-L261 HydrophobicContact CE2-CD2 4.38Å; F223-L261 HydrophobicContact CG-CD2 4.36Å; F223-L261 VanDerWaalsContact CZ-C 3.48Å; F223-L261 HydrophobicContact CZ-CB 4.03Å; F223-L261 VanDerWaalsContact CZ-O 3.23Å; F223-L261 WeakPolarHBondContact CZ-O 3.4Å; F225-L261 HydrophobicContact CE2-CD2 3.49Å; F225-L261 VanDerWaalsContact CE2-CD2 3.49Å; F225-L261 HydrophobicContact CZ-CD2 3.66Å; F240-L261 HydrophobicContact CD1-CD1 3.64Å; F240-L261 HydrophobicContact CE1-CD1 3.59Å; A244-L261 WeakPolarHBondContact O-CD1 3.28Å; Q245-L261 WeakPolarHBondContact O-CB 3.48Å; Q245-L261 WeakPolarHBondContact O-CG 3.27Å; Q245-L261 PolarHBondContact O-N 3.49Å; L247-L261 HydrophobicContact CB-CD1 4.29Å; L247-L261 HydrophobicContact CB-CD2 4.22Å; L261-Q263 PolarHBondContact O-N 3.31Å
262E85.7Confident68.9Low100 Ų10085.6 Ų85.647%0.46745%0.447SS..  trans-77.9116.1-179.2-79.6172.616500111.1F223 K260 H264F223-E262 WeakPolarHBondContact CE1-O 3.47Å; K260-E262 HydrophobicContact CD-CG 4.16Å; K260-E262 WeakPolarHBondContact CE-OE1 3.49Å; K260-E262 HydrophobicContact CG-CG 4.11Å; K260-E262 IonicContact NZ-OE1 3.84Å; K260-E262 PolarHBondContact NZ-OE1 2.92Å; K260-E262 IonicContact NZ-OE2 2.62Å; E262-H264 PolarHBondContact O-N 2.91Å
263Q68.2Low66.7Low147 Ų14788.8 Ų88.869%0.68747%0.471SS*.  trans-76.8103.7169-67.3-173-62.900108.9F223 L261 S265F223-Q263 HydrophobicContact CE1-CG 4.43Å; F223-Q263 HydrophobicContact CZ-CG 3.77Å; L261-Q263 PolarHBondContact O-N 3.31Å; Q263-S265 VanDerWaalsContact C-N 3.33Å; Q263-S265 PolarHBondContact O-N 3.29Å
264H53.9Low64.8Low158 Ų15892.8 Ų92.873%0.73150%0.495SS*.  trans-62.696.9161.7-68.8-66.5000109E262E262-H264 PolarHBondContact O-N 2.91Å
265S37.8Very low62.7Low94 Ų94100.8 Ų100.866%0.65752%0.523SS*.  trans-61.3138.9157.850.50000108.1Q263 S267Q263-S265 VanDerWaalsContact C-N 3.33Å; Q263-S265 PolarHBondContact O-N 3.29Å; S265-S267 VanDerWaalsContact C-N 3.34Å; S265-S267 PolarHBondContact O-N 3.46Å
266P40.5Very low60.7Low127 Ų127103 Ų10383%0.82554%0.54SS*.  trans-67.697172.127.5-32.6000108.2Q268P266-Q268 PolarHBondContact O-N 2.86Å
267S38.3Very low58.4Low95 Ų95105.3 Ų105.366%0.66456%0.559SS**  trans-60.9125.6175.747.60000109.5S265 E269S265-S267 VanDerWaalsContact C-N 3.34Å; S265-S267 PolarHBondContact O-N 3.46Å; S267-E269 PolarHBondContact O-N 2.89Å; S267-E269 VanDerWaalsContact O-N 3.12Å
268Q37.9Very low56.4Low190 Ų190112.8 Ų112.889%0.88859%0.587SS**  trans-68.3110.2173.6-65-177.9-8200109.1P266 E270P266-Q268 PolarHBondContact O-N 2.86Å; Q268-E270 VanDerWaalsContact C-N 3.28Å; Q268-E270 PolarHBondContact O-N 3.14Å
269E38Very low54.3Low175 Ų175117.7 Ų117.782%0.81862%0.617SS**  trans-73.675.9177-66-179.2154.900111.2S267 E271S267-E269 PolarHBondContact O-N 2.89Å; S267-E269 VanDerWaalsContact O-N 3.12Å; E269-E271 PolarHBondContact O-N 2.8Å
270E40.9Very low52.1Low194 Ų194119.4 Ų119.491%0.90764%0.636SS**  trans-77.864.6161.2-70.2-157.9144.300110.5Q268 S272Q268-E270 VanDerWaalsContact C-N 3.28Å; Q268-E270 PolarHBondContact O-N 3.14Å; E270-S272 PolarHBondContact O-N 3.2Å
271E37.7Very low49.7Very low171 Ų171123.6 Ų123.680%0.79965%0.654SS**  trans-70.7126172-79.4-144.4137.300111.7E269E269-E271 PolarHBondContact O-N 2.8Å
272S34.3Very low47.5Very low97 Ų97131.2 Ų131.268%0.67869%0.691SS**  trans-88.6127.4165.855.10000110E270 T274E270-S272 PolarHBondContact O-N 3.2Å; S272-T274 PolarHBondContact O-N 3.48Å
273P45.9Very low45.8Very low127 Ų127134.5 Ų134.583%0.82570%0.704SS**  trans-75.396.4-16328.3-36.1000112.8
274T49.3Very low44.7Very low95 Ų95131.4 Ų131.458%0.58370%0.695SS**  trans-82.2146.2173.3-59.80000111.1S272 S276 A277S272-T274 PolarHBondContact O-N 3.48Å; T274-S276 PolarHBondContact O-N 2.89Å; T274-A277 WeakPolarHBondContact O-CB 3.34Å; T274-A277 PolarHBondContact O-N 2.96Å
275W45.8Very low44.2Very low232 Ų232127.2 Ų127.288%0.87969%0.688SS**THydrogen-bonded Turntrans-58.4-22.6-169.6-156.1-6.3000114.5A277 Y278W275-A277 PolarHBondContact O-N 3.14Å; W275-Y278 PolarHBondContact O-N 3.48Å; W275-Y278 VanDerWaalsContact O-N 3.14Å
276S48.5Very low44.4Very low83 Ų83126.5 Ų126.558%0.5869%0.688SS**THydrogen-bonded Turntrans-51.1-34170.742.90000113.7T274 Y278 V279 G280T274-S276 PolarHBondContact O-N 2.89Å; S276-Y278 PolarHBondContact O-N 3.33Å; S276-Y278 VanDerWaalsContact O-N 3.09Å; S276-V279 PolarHBondContact O-N 2.86Å; S276-V279 VanDerWaalsContact O-N 3.12Å; S276-G280 PolarHBondContact O-N 2.79Å
277A47.7Very low44.6Very low48 Ų48123.2 Ų123.240%0.39767%0.668SS.*Hα-helixtrans-59.9-21.1179.400000113.9T274 W275 K281T274-A277 WeakPolarHBondContact O-CB 3.34Å; T274-A277 PolarHBondContact O-N 2.96Å; W275-A277 PolarHBondContact O-N 3.14Å; A277-K281 WeakPolarHBondContact O-CG 3.41Å; A277-K281 PolarHBondContact O-N 3.01Å
278Y52Low44.8Very low178 Ų178123.9 Ų123.970%0.69867%0.668SS**Hα-helixtrans-78.4-30.7178.5-139.2-80.1000113W275 S276W275-Y278 PolarHBondContact O-N 3.48Å; W275-Y278 VanDerWaalsContact O-N 3.14Å; S276-Y278 PolarHBondContact O-N 3.33Å; S276-Y278 VanDerWaalsContact O-N 3.09Å
279V53.6Low45.2Very low104 Ų104125.3 Ų125.363%0.6367%0.667SS**Hα-helixtrans-75.3-39.9176.7-174.10000110.2S276 K281 M282S276-V279 PolarHBondContact O-N 2.86Å; S276-V279 VanDerWaalsContact O-N 3.12Å; V279-K281 VanDerWaalsContact C-N 3.31Å; V279-K281 PolarHBondContact O-N 3.3Å; V279-M282 PolarHBondContact O-N 3.18Å
280G49.2Very low45.6Very low38 Ų38122.7 Ų122.739%0.39266%0.658SS.*Hα-helixtrans-56.3-42.9174.700000112.9S276 M282 F283 T284S276-G280 PolarHBondContact O-N 2.79Å; G280-M282 PolarHBondContact O-N 3.37Å; G280-M282 VanDerWaalsContact O-N 3.1Å; G280-F283 PolarHBondContact O-N 2.81Å; G280-T284 PolarHBondContact O-N 2.84Å; G280-T284 PolarHBondContact O-OG1 2.89Å; G280-T284 VanDerWaalsContact O-OG1 3.04Å
281K45.4Very low45.6Very low137 Ų137117.3 Ų117.360%0.59664%0.64SS**Hα-helixtrans-56.9-27.2179.3-78.3173.9-178.6-179.60114.4A277 V279 T284 A285A277-K281 WeakPolarHBondContact O-CG 3.41Å; A277-K281 PolarHBondContact O-N 3.01Å; V279-K281 VanDerWaalsContact C-N 3.31Å; V279-K281 PolarHBondContact O-N 3.3Å; K281-T284 PolarHBondContact O-N 2.92Å; K281-A285 PolarHBondContact O-N 2.85Å; K281-A285 VanDerWaalsContact O-N 3.15Å
282M46.2Very low46.1Very low166 Ų166114.6 Ų114.682%0.81864%0.635SS**Hα-helixtrans-74.5-27.1177-132.8175.8-170.200112.7V279 G280V279-M282 PolarHBondContact O-N 3.18Å; G280-M282 PolarHBondContact O-N 3.37Å; G280-M282 VanDerWaalsContact O-N 3.1Å
283F49.8Very low46.5Very low168 Ų168116.9 Ų116.974%0.73764%0.635SS**Hα-helixtrans-79.5-37167.5-80.8-89.8000111.9G280 A285 A286 S287G280-F283 PolarHBondContact O-N 2.81Å; F283-A285 PolarHBondContact O-N 3.38Å; F283-A286 WeakPolarHBondContact O-CB 3.4Å; F283-A286 PolarHBondContact O-N 2.84Å; F283-S287 PolarHBondContact O-N 2.97Å
284T46.6Very low46.4Very low82 Ų82113.5 Ų113.550%0.50361%0.612SS.*Hα-helixtrans-61.3-30.1177.6-38.40000113.1G280 K281 A286 S287 T288G280-T284 PolarHBondContact O-N 2.84Å; G280-T284 PolarHBondContact O-OG1 2.89Å; G280-T284 VanDerWaalsContact O-OG1 3.04Å; K281-T284 PolarHBondContact O-N 2.92Å; T284-A286 PolarHBondContact O-N 2.8Å; T284-S287 WeakPolarHBondContact CA-OG 3.43Å; T284-S287 PolarHBondContact O-N 2.95Å; T284-S287 PolarHBondContact O-OG 2.79Å; T284-T288 PolarHBondContact O-OG1 2.78Å
285A43.5Very low46Very low70 Ų70112.8 Ų112.858%0.57961%0.61SS**THydrogen-bonded Turntrans-63.4-24.4173.900000113.5K281 F283 T288K281-A285 PolarHBondContact O-N 2.85Å; K281-A285 VanDerWaalsContact O-N 3.15Å; F283-A285 PolarHBondContact O-N 3.38Å; A285-T288 PolarHBondContact O-OG1 3.13Å; A285-T288 VanDerWaalsContact O-OG1 3.1Å
286A41.7Very low45.6Very low79 Ų79108 Ų10865%0.65360%0.602SS**THydrogen-bonded Turntrans-85.9-24.117500000112.7F283 T284 T288F283-A286 WeakPolarHBondContact O-CB 3.4Å; F283-A286 PolarHBondContact O-N 2.84Å; T284-A286 PolarHBondContact O-N 2.8Å; A286-T288 VanDerWaalsContact C-N 3.31Å; A286-T288 PolarHBondContact O-N 2.82Å
287S44.8Very low45.2Very low58 Ų58110.4 Ų110.441%0.40661%0.606SS.*SBendtrans-83.4-1.2178.9620000114.2F283 T284 Y289 L290F283-S287 PolarHBondContact O-N 2.97Å; T284-S287 WeakPolarHBondContact CA-OG 3.43Å; T284-S287 PolarHBondContact O-N 2.95Å; T284-S287 PolarHBondContact O-OG 2.79Å; S287-Y289 PolarHBondContact O-N 2.94Å; S287-L290 PolarHBondContact O-N 3.4Å; S287-L290 VanDerWaalsContact O-N 3.1Å
288T41.9Very low44.7Very low109 Ų109115.2 Ų115.267%0.66962%0.622SS**THydrogen-bonded Turntrans-66.52.2-177.5-30.70000114.6T284 A285 A286T284-T288 PolarHBondContact O-OG1 2.78Å; A285-T288 PolarHBondContact O-OG1 3.13Å; A285-T288 VanDerWaalsContact O-OG1 3.1Å; A286-T288 VanDerWaalsContact C-N 3.31Å; A286-T288 PolarHBondContact O-N 2.82Å
289Y47.3Very low44.4Very low221 Ų221113.9 Ų113.987%0.86762%0.622SS**THydrogen-bonded Turntrans-101.60.8173.4-79.3-79.7000114.6S287S287-Y289 PolarHBondContact O-N 2.94Å
290L45.8Very low44.1Very low120 Ų120113.5 Ų113.563%0.62861%0.613SS**SBendtrans-92.3121.7172.2-74.1170000110.7S287S287-L290 PolarHBondContact O-N 3.4Å; S287-L290 VanDerWaalsContact O-N 3.1Å
291P41.4Very low44.4Very low81 Ų81115.6 Ų115.653%0.52662%0.616SS.*  trans-62.5142.7174.1-21.132.4000111.7H293 V294P291-H293 PolarHBondContact O-N 2.83Å; P291-H293 VanDerWaalsContact O-N 3.16Å; P291-V294 HydrophobicContact CB-CG2 4.27Å; P291-V294 HydrophobicContact CG-CG2 4.35Å; P291-V294 WeakPolarHBondContact O-CB 3.43Å; P291-V294 PolarHBondContact O-N 2.94Å
292T46.9Very low45.8Very low114 Ų114119 Ų11970%0.69963%0.625SS**Hα-helixtrans-53.4-37.7179.144.90000113V294 S295T292-V294 PolarHBondContact O-N 3.02Å; T292-S295 PolarHBondContact O-N 3.13Å
293H43.8Very low47.7Very low145 Ų145112.2 Ų112.267%0.67159%0.594SS**Hα-helixtrans-59.4-11.1174.3-67.9-58.9000115.6P291 M297P291-H293 PolarHBondContact O-N 2.83Å; P291-H293 VanDerWaalsContact O-N 3.16Å; H293-M297 WeakPolarHBondContact O-CB 3.25Å
294V44Very low49.7Very low55 Ų55106.3 Ų106.333%0.33357%0.569SS.*Hα-helixtrans-88.8-26.5176-174.70000111.7P291 T292 M297 M298P291-V294 HydrophobicContact CB-CG2 4.27Å; P291-V294 HydrophobicContact CG-CG2 4.35Å; P291-V294 WeakPolarHBondContact O-CB 3.43Å; P291-V294 PolarHBondContact O-N 2.94Å; T292-V294 PolarHBondContact O-N 3.02Å; V294-M297 PolarHBondContact O-N 2.83Å; V294-M298 PolarHBondContact O-N 2.8Å
295S39.5Very low52Low80 Ų80102.4 Ų102.456%0.55955%0.545SS*.Hα-helixtrans-70.1-51.3-177.6-158.60000111.5T292 M297 M298T292-S295 PolarHBondContact O-N 3.13Å; S295-M297 PolarHBondContact O-N 2.74Å; S295-M298 PolarHBondContact O-N 3.15Å; S295-M298 VanDerWaalsContact O-N 3.08Å
296D37.6Very low54.5Low133 Ų133101.4 Ų101.471%0.71153%0.531SS*.Hα-helixtrans-58.5-21.4171.9-65.2-20.6000112.5
297M39.6Very low57Low132 Ų13297.7 Ų97.765%0.6550%0.501SS*.Hα-helixtrans-90.5-10.8-177.7-149.4160.9-68.300113.5H293 V294 S295H293-M297 WeakPolarHBondContact O-CB 3.25Å; V294-M297 PolarHBondContact O-N 2.83Å; S295-M297 PolarHBondContact O-N 2.74Å
298M38.1Very low59.3Low149 Ų149102 Ų10273%0.73451%0.508SS*.Hα-helixtrans-84-21.1170.4-75.3-163.7168.800113.2V294 S295V294-M298 PolarHBondContact O-N 2.8Å; S295-M298 PolarHBondContact O-N 3.15Å; S295-M298 VanDerWaalsContact O-N 3.08Å
299H44.8Very low61.5Low151 Ų15197.1 Ų97.170%0.69948%0.478SS*.  trans-104.137.5176.7-67.8-88.9000113D301H299-D301 PolarHBondContact O-N 2.83Å; H299-D301 VanDerWaalsContact O-N 3.14Å
300Q48.4Very low63.1Low95 Ų9594.2 Ų94.244%0.44448%0.477SS..SBendtrans-72.3101.9159.4-93.1-169.8-16.900108.8R302Q300-R302 PolarHBondContact O-N 3.38Å; Q300-R302 VanDerWaalsContact O-N 3.14Å
301D55.9Low64.7Low83 Ų8389.4 Ų89.444%0.44445%0.452SS..PPolyproline II helixtrans-48.4117.4-170.2-72.8-40.6000113.2F225 H299F225-D301 HydrophobicContact CD1-CB 4.14Å; F225-D301 HydrophobicContact CE1-CB 4.47Å; H299-D301 PolarHBondContact O-N 2.83Å; H299-D301 VanDerWaalsContact O-N 3.14Å
302R74.1Confident66.3Low209 Ų20992 Ų9279%0.78946%0.455SS*.PPolyproline II helixtrans-69.7160166.5-60.4-179-176.1-175.72.1108.1Q300 F304Q300-R302 PolarHBondContact O-N 3.38Å; Q300-R302 VanDerWaalsContact O-N 3.14Å; R302-F304 PolarHBondContact O-N 2.83Å
303A85.5Confident67.7Low22 Ų2288.9 Ų88.918%0.18245%0.445CS..PPolyproline II helixtrans-57.4126169.900000109.6H257 I258 F259 A305 T306H257-A303 HydrophobicContact CB-CB 3.77Å; H257-A303 WeakPolarHBondContact ND1-CB 3.49Å; I258-A303 CarbonylContact O-C 3.58Å; I258-A303 WeakPolarHBondContact O-CA 3.39Å; F259-A303 HydrophobicContact CD1-CB 4.3Å; F259-A303 HydrophobicContact CE1-CB 3.92Å; F259-A303 HydrophobicContact CZ-CB 4.41Å; A303-A305 VanDerWaalsContact C-N 3.26Å; A303-A305 PolarHBondContact O-N 3.12Å; A303-T306 HydrophobicContact CB-CG2 3.69Å
304F93.3Very high69.5Low44 Ų4484.9 Ų84.919%0.19343%0.428CS..SBendtrans-58.3-41.3177.6163.9-101000111F246 I258 K260 R302 D344 Q346 G348 G349F246-F304 HydrophobicContact CD1-CD1 4.08Å; F246-F304 HydrophobicContact CD1-CE1 4.22Å; F246-F304 AromaticContact CE1-CD1 3.67Å; F246-F304 HydrophobicContact CE1-CD1 3.67Å; F246-F304 AromaticContact CE1-CE1 3.41Å; F246-F304 HydrophobicContact CE1-CE1 3.41Å; F246-F304 VanDerWaalsContact CE1-CE1 3.41Å; F246-F304 HydrophobicContact CE1-CZ 4.1Å; F246-F304 HydrophobicContact CZ-CE1 4.15Å; I258-F304 PolarHBondContact O-N 3.11Å; K260-F304 HydrophobicContact CB-CB 3.98Å; K260-F304 HydrophobicContact CB-CD1 4.49Å; K260-F304 HydrophobicContact CB-CD2 4.27Å; K260-F304 HydrophobicContact CB-CG 3.99Å; K260-F304 HydrophobicContact CD-CD2 3.88Å; K260-F304 HydrophobicContact CD-CE2 3.89Å; K260-F304 HydrophobicContact CD-CG 4.32Å; K260-F304 HydrophobicContact CD-CZ 4.33Å; R302-F304 PolarHBondContact O-N 2.83Å; F304-D344 VanDerWaalsContact CE1-O 3.27Å; F304-D344 WeakPolarHBondContact CE1-O 3.18Å; F304-D344 WeakPolarHBondContact CZ-O 3.25Å; F304-Q346 WeakPolarHBondContact CE2-O 3.16Å; F304-G348 VanDerWaalsContact CE1-CA 3.49Å; F304-G348 VanDerWaalsContact CZ-CA 3.4Å; F304-G348 VanDerWaalsContact CZ-N 3.31Å; F304-G348 WeakPolarHBondContact O-CA 3.43Å; F304-G349 PolarHBondContact O-N 2.84Å
305A95.1Very high71.6Confident0 Ų090.1 Ų90.10%045%0.447CS..EExtended strand (participates in β ladder)trans-136.4155.4168.900000111.1I258 A303 V343 G349I258-A305 HydrophobicContact CB-CB 4.15Å; I258-A305 HydrophobicContact CD1-CB 4.24Å; I258-A305 PolarHBondContact N-O 2.72Å; I258-A305 PolarHBondContact O-N 2.81Å; A303-A305 VanDerWaalsContact C-N 3.26Å; A303-A305 PolarHBondContact O-N 3.12Å; A305-V343 HydrophobicContact CB-CG1 4.46Å; A305-G349 CarbonylContact C-O 3.52Å; A305-G349 WeakPolarHBondContact CA-O 3.26Å; A305-G349 WeakPolarHBondContact CB-O 3.49Å
306T94.8Very high74.2Confident49 Ų4986.8 Ų86.830%0.30142%0.422SS..EExtended strand (participates in β ladder)trans-137.8147.8-178.552.20000111.3V256 A303 G349 E350 C351V256-T306 WeakPolarHBondContact O-CA 3.31Å; A303-T306 HydrophobicContact CB-CG2 3.69Å; T306-G349 PolarHBondContact N-O 2.92Å; T306-E350 WeakPolarHBondContact O-CA 3.37Å; T306-C351 PolarHBondContact O-N 2.74Å
307V94.8Very high77Confident1 Ų182.1 Ų82.11%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-124.1124.8177.2-168.30000109.1T255 V256 L309 L329 Y341 C351T255-V307 WeakPolarHBondContact CA-O 3.49Å; V256-V307 HydrophobicContact CB-CB 4.17Å; V256-V307 HydrophobicContact CB-CG2 4.45Å; V256-V307 PolarHBondContact N-O 3.07Å; V256-V307 PolarHBondContact O-N 2.93Å; V307-L309 HydrophobicContact CG1-CD2 4.25Å; V307-L329 HydrophobicContact CB-CD2 4.13Å; V307-L329 HydrophobicContact CG2-CD2 3.39Å; V307-Y341 HydrophobicContact CG1-CD1 3.36Å; V307-Y341 HydrophobicContact CG1-CD2 3.83Å; V307-Y341 HydrophobicContact CG1-CE1 3.2Å; V307-Y341 HydrophobicContact CG1-CE2 3.68Å; V307-Y341 HydrophobicContact CG1-CG 3.68Å; V307-C351 HydrophobicContact CG2-CB 3.64Å
308R92.1Very high79.7Confident149 Ų14976 Ų7656%0.56237%0.367SS*.EExtended strand (participates in β ladder)trans-88.2121.8171.1-156.7173.3-171.2-161.9-3.5109.8E254E254-R308 CarbonylContact O-C 3.53Å; E254-R308 WeakPolarHBondContact O-CA 3.3Å; E254-R308 IonicContact OE1-CZ 2.77Å; E254-R308 IonicContact OE1-NE 3.86Å; E254-R308 PolarHBondContact OE1-NE 2.96Å; E254-R308 IonicContact OE1-NH2 2.76Å; E254-R308 PolarHBondContact OE1-NH2 2.79Å
309L89Confident82.6Confident7 Ų769 Ų694%0.03733%0.333CS..  trans-93.3135.3176-54.5-178.7000108.8E254 V256 V307 M311 V331 Y341E254-L309 PolarHBondContact O-N 3.11Å; V256-L309 HydrophobicContact CG2-CD1 3.81Å; V256-L309 HydrophobicContact CG2-CD2 4.07Å; V256-L309 HydrophobicContact CG2-CG 4.03Å; V307-L309 HydrophobicContact CG1-CD2 4.25Å; L309-M311 HydrophobicContact CB-CG 3.69Å; L309-M311 HydrophobicContact CD1-CG 4.35Å; L309-M311 PolarHBondContact O-N 3.23Å; L309-V331 HydrophobicContact CD1-CG1 4.3Å; L309-V331 HydrophobicContact CD2-CG1 4.24Å; L309-V331 HydrophobicContact CD2-CG2 4.42Å; L309-Y341 HydrophobicContact CD2-CE2 4.22Å
310N81.5Confident85.1Confident160 Ų16062 Ų6286%0.85630%0.301SS*.SBendtrans-77.133.1175.2-70.5-1.2000112.5
311M77.9Confident87.4Confident18 Ų1857.8 Ų57.89%0.08928%0.282CS..  trans-146.2144.4-175.152177.271.900110.6L309 L314 S333 E335 Y339L309-M311 HydrophobicContact CB-CG 3.69Å; L309-M311 HydrophobicContact CD1-CG 4.35Å; L309-M311 PolarHBondContact O-N 3.23Å; M311-L314 HydrophobicContact CB-CD1 3.81Å; M311-S333 WeakPolarHBondContact CE-OG 3.21Å; M311-S333 PolarHBondContact SD-OG 2.76Å; M311-E335 HydrophobicContact CE-CG 4.42Å; M311-E335 WeakPolarHBondContact CE-OE2 3.47Å; M311-Y339 HydrophobicContact CE-CD2 4.29Å; M311-Y339 HydrophobicContact CE-CE2 3.33Å; M311-Y339 WeakPolarHBondContact CE-OH 3.46Å
312F76Confident89.3Confident137 Ų13757.7 Ų57.760%0.60129%0.285SS*.SBendtrans-131.1137.5-175.9179.7-93000110.2L314F312-L314 PolarHBondContact O-N 3.25Å
313G75.8Confident90.3Very high47 Ų4748.1 Ų48.149%0.48525%0.249SC..SBendtrans71.1-15.8178.900000116.3N252N252-G313 PolarHBondContact O-N 3.08Å; N252-G313 VanDerWaalsContact O-N 3.15Å
314L82.4Confident90.6Very high62 Ų6252.9 Ų52.933%0.32527%0.267SS..  trans-71.5142-178.3-75.2157.5000112.9M311 F312 N316 E335M311-L314 HydrophobicContact CB-CD1 3.81Å; F312-L314 PolarHBondContact O-N 3.25Å; L314-N316 PolarHBondContact O-N 3.28Å; L314-N316 PolarHBondContact O-ND2 3.37Å; L314-E335 HydrophobicContact CD1-CG 3.79Å; L314-E335 WeakPolarHBondContact CD1-OE1 3.17Å; L314-E335 HydrophobicContact CD2-CG 4.48Å
315K86.9Confident90.5Very high165 Ų16560.2 Ų60.272%0.71730%0.299SS*.  trans-68.7132.2178.1-72-175.9179.1-179.90109.6S334K315-S334 PolarHBondContact N-OG 2.69Å; K315-S334 PolarHBondContact O-N 2.78Å; K315-S334 PolarHBondContact O-OG 3.22Å
316N93.8Very high90.4Very high9 Ų964.1 Ų64.15%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-146.7151.1-178.963.586.1000110.8S236 S250 S251 L314 V331 A332S236-N316 VanDerWaalsContact CB-O 3.26Å; S236-N316 WeakPolarHBondContact CB-O 3.38Å; S250-N316 WeakPolarHBondContact CB-OD1 3.36Å; S250-N316 PolarHBondContact OG-OD1 3.25Å; S251-N316 PolarHBondContact O-ND2 3.2Å; S251-N316 VanDerWaalsContact O-ND2 3.15Å; L314-N316 PolarHBondContact O-N 3.28Å; L314-N316 PolarHBondContact O-ND2 3.37Å; N316-V331 HydrophobicContact CB-CG1 4.22Å; N316-A332 CarbonylContact C-O 3.56Å; N316-A332 WeakPolarHBondContact CA-O 3.47Å
317I96.4Very high90.4Very high36 Ų3663 Ų6319%0.18531%0.314CS..EExtended strand (participates in β ladder)trans-121146.3169.759.1167.8000109.9A20 F22 L29 V331 A332A20-I317 HydrophobicContact CB-CD1 3.82Å; A20-I317 HydrophobicContact CB-CG1 4.46Å; F22-I317 HydrophobicContact CD2-CD1 3.67Å; F22-I317 HydrophobicContact CD2-CG1 4.12Å; F22-I317 HydrophobicContact CE2-CD1 3.86Å; F22-I317 HydrophobicContact CE2-CG1 3.87Å; L29-I317 HydrophobicContact CD1-CD1 4.26Å; I317-V331 WeakPolarHBondContact O-CA 3.45Å; I317-A332 HydrophobicContact CD1-CB 4.42Å; I317-A332 HydrophobicContact CG1-CB 3.9Å; I317-A332 PolarHBondContact N-O 2.81Å; I317-A332 PolarHBondContact O-N 3.17Å
318C97.3Very high90.6Very high2 Ų263.8 Ų63.81%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-125.4143-178.864.40000112.1S237 S239 C248 V256 L329 L330 V331S237-C318 PolarHBondContact OG-N 3.45Å; S237-C318 PolarHBondContact OG-O 2.99Å; S239-C318 VanDerWaalsContact CB-O 3.31Å; S239-C318 WeakPolarHBondContact CB-O 3.2Å; C248-C318 PolarHBondContact SG-SG 2.92Å; V256-C318 HydrophobicContact CG1-CB 4.28Å; C318-L329 HydrophobicContact CB-CD1 4.28Å; C318-L330 CarbonylContact C-O 3.56Å; C318-L330 VanDerWaalsContact CA-O 3.27Å; C318-L330 WeakPolarHBondContact CA-O 3.06Å; C318-V331 HydrophobicContact CB-CG2 4.38Å
319A98.1Very high90.8Very high2 Ų256.7 Ų56.72%0.01729%0.289CS..EExtended strand (participates in β ladder)trans-138.3145.2174.300000111.7F22 T26 S239 L330F22-A319 HydrophobicContact CB-CB 4.31Å; F22-A319 HydrophobicContact CD1-CB 4.25Å; F22-A319 HydrophobicContact CD2-CB 3.5Å; F22-A319 VanDerWaalsContact CD2-CB 3.5Å; F22-A319 HydrophobicContact CE1-CB 4.47Å; F22-A319 HydrophobicContact CE2-CB 3.76Å; F22-A319 HydrophobicContact CG-CB 3.77Å; F22-A319 HydrophobicContact CZ-CB 4.25Å; T26-A319 HydrophobicContact CG2-CB 3.87Å; S239-A319 WeakPolarHBondContact OG-CA 3.45Å; A319-L330 HydrophobicContact CB-CB 4.48Å; A319-L330 PolarHBondContact N-O 2.79Å; A319-L330 PolarHBondContact O-N 3.15Å
320L97.9Very high91.3Very high6 Ų656.4 Ų56.43%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-99.1106.3170.7-74.8169.4000109.9S239 F246 C248 I258 R328 L329 V343S239-L320 PolarHBondContact OG-N 3.06Å; F246-L320 HydrophobicContact CB-CD1 3.73Å; C248-L320 HydrophobicContact CB-CD1 3.81Å; C248-L320 HydrophobicContact CB-CD2 4.37Å; C248-L320 HydrophobicContact CB-CG 3.85Å; I258-L320 HydrophobicContact CD1-CD2 4.12Å; I258-L320 HydrophobicContact CG2-CD1 4.4Å; L320-R328 WeakPolarHBondContact CA-O 3.28Å; L320-L329 HydrophobicContact CD2-CB 4.35Å; L320-L329 HydrophobicContact CD2-CD1 3.81Å; L320-L329 HydrophobicContact CG-CD1 4.19Å; L320-V343 HydrophobicContact CD2-CG2 4.36Å
321A96.9Very high92.1Very high5 Ų548.8 Ų48.84%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-109.9150.3-179.300000111.2T26 I323 R328 L330T26-A321 WeakPolarHBondContact OG1-CB 3.44Å; A321-I323 HydrophobicContact CB-CD1 4.39Å; A321-I323 HydrophobicContact CB-CG1 4.22Å; A321-R328 PolarHBondContact N-O 2.91Å; A321-R328 PolarHBondContact O-N 3Å; A321-L330 HydrophobicContact CB-CD1 3.76Å; A321-L330 HydrophobicContact CB-CG 4.14Å
322T95.5Very high92.9Very high82 Ų8248 Ų4850%0.50324%0.244SC..EExtended strand (participates in β ladder)trans-102.598.8172.8-58.20000109.5
323I95.1Very high93.7Very high7 Ų741.5 Ų41.54%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-108.3131-177.7-58.6174.5000108.3V42 V45 A321 K325 L326 R328 L330V42-I323 WeakPolarHBondContact O-CD1 3.46Å; V45-I323 HydrophobicContact CG2-CB 4.45Å; V45-I323 HydrophobicContact CG2-CG2 3.67Å; A321-I323 HydrophobicContact CB-CD1 4.39Å; A321-I323 HydrophobicContact CB-CG1 4.22Å; I323-K325 PolarHBondContact O-N 3.24Å; I323-L326 PolarHBondContact N-O 3.06Å; I323-L326 PolarHBondContact O-N 3.2Å; I323-R328 HydrophobicContact CB-CG 3.95Å; I323-R328 HydrophobicContact CD1-CB 4.24Å; I323-R328 HydrophobicContact CD1-CG 4.13Å; I323-R328 HydrophobicContact CG1-CG 4.25Å; I323-L330 HydrophobicContact CD1-CD2 4.1Å
324Q91.5Very high94.4Very high122 Ų12240.5 Ų40.557%0.5720%0.201SC*.THydrogen-bonded Turntrans52.736.4-178.1-62.4167.6-5.800113.4L326Q324-L326 PolarHBondContact O-N 3.08Å
325K91.1Very high94.8Very high199 Ų19939.8 Ų39.887%0.86520%0.196SC*.THydrogen-bonded Turntrans666.8-174.1-52.3-179.4179.6179.30116.2I323I323-K325 PolarHBondContact O-N 3.24Å
326L93.6Very high95Very high82 Ų8232 Ų3243%0.42916%0.162SC..EExtended strand (participates in β ladder)trans-111.3143.3176.7-61.7174.3000110.6I323 Q324 R328I323-L326 PolarHBondContact N-O 3.06Å; I323-L326 PolarHBondContact O-N 3.2Å; Q324-L326 PolarHBondContact O-N 3.08Å; L326-R328 VanDerWaalsContact CB-NH1 3.29Å
327P95.5Very high95Very high26 Ų2634.5 Ų34.517%0.16917%0.171CC..EExtended strand (participates in β ladder)trans-69139.5174.228.7-32.7000110.6V343 P345P327-V343 HydrophobicContact CB-CB 4.33Å; P327-V343 HydrophobicContact CG-CB 4.3Å; P327-V343 WeakPolarHBondContact CG-O 3.43Å; P327-V343 PolarHBondContact O-N 2.77Å; P327-P345 HydrophobicContact CG-CB 4.16Å; P327-P345 HydrophobicContact CG-CG 4.25Å
328R97.3Very high95Very high16 Ų1632.9 Ų32.96%0.0616%0.163CC..EExtended strand (participates in β ladder)trans-131.1136.8177.5-65.9-67.6175.3-10112.5109L320 A321 I323 L326 V340 Y341 N342L320-R328 WeakPolarHBondContact CA-O 3.28Å; A321-R328 PolarHBondContact N-O 2.91Å; A321-R328 PolarHBondContact O-N 3Å; I323-R328 HydrophobicContact CB-CG 3.95Å; I323-R328 HydrophobicContact CD1-CB 4.24Å; I323-R328 HydrophobicContact CD1-CG 4.13Å; I323-R328 HydrophobicContact CG1-CG 4.25Å; L326-R328 VanDerWaalsContact CB-NH1 3.29Å; R328-V340 HydrophobicContact CB-CG1 4.41Å; R328-V340 HydrophobicContact CG-CG1 4.38Å; R328-Y341 VanDerWaalsContact CA-O 3.3Å; R328-Y341 WeakPolarHBondContact CA-O 3.25Å; R328-Y341 WeakPolarHBondContact CD-O 3.46Å; R328-N342 PolarHBondContact NH1-OD1 2.8Å
329L98.2Very high95Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-90.3120.2162.1-173.880.5000108.2C248 V256 I258 V307 C318 L320 V331 Y341 V343C248-L329 HydrophobicContact CB-CD1 3.62Å; V256-L329 HydrophobicContact CB-CD2 4.02Å; V256-L329 HydrophobicContact CG1-CD1 4.4Å; V256-L329 HydrophobicContact CG1-CD2 3.82Å; V256-L329 HydrophobicContact CG2-CD2 4.34Å; I258-L329 HydrophobicContact CD1-CB 4.46Å; I258-L329 HydrophobicContact CD1-CD1 4.41Å; V307-L329 HydrophobicContact CB-CD2 4.13Å; V307-L329 HydrophobicContact CG2-CD2 3.39Å; C318-L329 HydrophobicContact CB-CD1 4.28Å; L320-L329 HydrophobicContact CD2-CB 4.35Å; L320-L329 HydrophobicContact CD2-CD1 3.81Å; L320-L329 HydrophobicContact CG-CD1 4.19Å; L329-V331 HydrophobicContact CD2-CG2 3.61Å; L329-V331 HydrophobicContact CG-CG2 3.9Å; L329-Y341 PolarHBondContact N-O 3.45Å; L329-Y341 PolarHBondContact O-N 2.82Å; L329-V343 HydrophobicContact CB-CG2 4.04Å
330L98.3Very high94.9Very high2 Ų233.6 Ų33.61%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-95.5130.8169.5-57.2-177.7000108.4F22 V42 C318 A319 A321 I323 L338 V340F22-L330 HydrophobicContact CD1-CD1 4.44Å; F22-L330 HydrophobicContact CE1-CB 3.9Å; F22-L330 HydrophobicContact CE1-CD1 3.8Å; F22-L330 HydrophobicContact CE2-CB 4.42Å; F22-L330 HydrophobicContact CZ-CB 3.59Å; F22-L330 HydrophobicContact CZ-CD1 4.38Å; V42-L330 HydrophobicContact CB-CD1 4.05Å; V42-L330 HydrophobicContact CG2-CD1 3.82Å; C318-L330 CarbonylContact C-O 3.56Å; C318-L330 VanDerWaalsContact CA-O 3.27Å; C318-L330 WeakPolarHBondContact CA-O 3.06Å; A319-L330 HydrophobicContact CB-CB 4.48Å; A319-L330 PolarHBondContact N-O 2.79Å; A319-L330 PolarHBondContact O-N 3.15Å; A321-L330 HydrophobicContact CB-CD1 3.76Å; A321-L330 HydrophobicContact CB-CG 4.14Å; I323-L330 HydrophobicContact CD1-CD2 4.1Å; L330-L338 HydrophobicContact CB-CD1 4.19Å; L330-V340 HydrophobicContact CD2-CB 4.32Å; L330-V340 HydrophobicContact CD2-CG1 3.97Å; L330-V340 HydrophobicContact CD2-CG2 3.84Å
331V97.6Very high94.9Very high0 Ų033.9 Ų33.90%017%0.166CC..EExtended strand (participates in β ladder)trans-130.5111.4175.2-174.20000109.4V256 L309 N316 I317 C318 L329 Y339 Y341V256-V331 HydrophobicContact CG2-CG2 4.26Å; L309-V331 HydrophobicContact CD1-CG1 4.3Å; L309-V331 HydrophobicContact CD2-CG1 4.24Å; L309-V331 HydrophobicContact CD2-CG2 4.42Å; N316-V331 HydrophobicContact CB-CG1 4.22Å; I317-V331 WeakPolarHBondContact O-CA 3.45Å; C318-V331 HydrophobicContact CB-CG2 4.38Å; L329-V331 HydrophobicContact CD2-CG2 3.61Å; L329-V331 HydrophobicContact CG-CG2 3.9Å; V331-Y339 PolarHBondContact N-O 3.37Å; V331-Y339 PolarHBondContact O-N 2.85Å; V331-Y341 HydrophobicContact CG2-CD2 4.43Å; V331-Y341 HydrophobicContact CG2-CE2 4.25Å
332A96.4Very high94.9Very high2 Ų236.3 Ų36.32%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-96132.6173.200000109.8F22 L29 N316 I317 Y337 L338F22-A332 HydrophobicContact CE2-CB 4.48Å; F22-A332 HydrophobicContact CZ-CB 4.29Å; L29-A332 HydrophobicContact CD1-CB 4.1Å; L29-A332 HydrophobicContact CD2-CB 4.05Å; N316-A332 CarbonylContact C-O 3.56Å; N316-A332 WeakPolarHBondContact CA-O 3.47Å; I317-A332 HydrophobicContact CD1-CB 4.42Å; I317-A332 HydrophobicContact CG1-CB 3.9Å; I317-A332 PolarHBondContact N-O 2.81Å; I317-A332 PolarHBondContact O-N 3.17Å; A332-Y337 WeakPolarHBondContact CA-O 3.46Å; A332-L338 HydrophobicContact CB-CD1 4.31Å
333S93.1Very high95Very high0 Ų032.5 Ų32.50%016%0.155CC..EExtended strand (participates in β ladder)trans-117.4147.7-175.7175.90000112.3M311 E335 G336 Y337M311-S333 WeakPolarHBondContact CE-OG 3.21Å; M311-S333 PolarHBondContact SD-OG 2.76Å; S333-E335 PolarHBondContact O-N 2.94Å; S333-E335 VanDerWaalsContact O-N 3.08Å; S333-E335 PolarHBondContact OG-N 2.84Å; S333-G336 PolarHBondContact O-N 2.78Å; S333-Y337 PolarHBondContact N-O 3.39Å
334S90.3Very high95Very high26 Ų2635 Ų3518%0.18217%0.169CC..THydrogen-bonded Turntrans-62.6-8.717361.70000114.7K315 G336K315-S334 PolarHBondContact N-OG 2.69Å; K315-S334 PolarHBondContact O-N 2.78Å; K315-S334 PolarHBondContact O-OG 3.22Å; S334-G336 PolarHBondContact O-N 2.78Å
335E89.1Confident95Very high47 Ų4731.4 Ų31.422%0.2216%0.156CC..THydrogen-bonded Turntrans-65.5-15.8166.6-65.8178.6159.700113.6M311 L314 S333 Y337 Y339M311-E335 HydrophobicContact CE-CG 4.42Å; M311-E335 WeakPolarHBondContact CE-OE2 3.47Å; L314-E335 HydrophobicContact CD1-CG 3.79Å; L314-E335 WeakPolarHBondContact CD1-OE1 3.17Å; L314-E335 HydrophobicContact CD2-CG 4.48Å; S333-E335 PolarHBondContact O-N 2.94Å; S333-E335 VanDerWaalsContact O-N 3.08Å; S333-E335 PolarHBondContact OG-N 2.84Å; E335-Y337 HydrophobicContact CB-CD2 3.73Å; E335-Y337 HydrophobicContact CB-CE2 4.3Å; E335-Y339 PolarHBondContact OE2-OH 3.37Å
336G91.1Very high95Very high1 Ų128.7 Ų28.71%0.0115%0.146CC..THydrogen-bonded Turntrans89.932.7-17100000114S333 S334 L359S333-G336 PolarHBondContact O-N 2.78Å; S334-G336 PolarHBondContact O-N 2.78Å; G336-L359 WeakPolarHBondContact O-CB 3.44Å; G336-L359 PolarHBondContact O-N 3.47Å
337Y93.9Very high94.9Very high61 Ų6131.6 Ų31.624%0.23916%0.162CC..EExtended strand (participates in β ladder)trans-130.3143.9178.6-67.9-71.5000112.8A332 S333 E335 Y339 K356 H357 R358A332-Y337 WeakPolarHBondContact CA-O 3.46Å; S333-Y337 PolarHBondContact N-O 3.39Å; E335-Y337 HydrophobicContact CB-CD2 3.73Å; E335-Y337 HydrophobicContact CB-CE2 4.3Å; Y337-Y339 VanDerWaalsContact CB-CE2 3.44Å; Y337-Y339 HydrophobicContact CG-CE2 4.41Å; Y337-K356 HydrophobicContact CD1-CD 4.24Å; Y337-K356 HydrophobicContact CD1-CG 4.15Å; Y337-H357 CarbonylContact C-O 3.59Å; Y337-H357 VanDerWaalsContact CA-O 3.31Å; Y337-H357 WeakPolarHBondContact CA-O 3.45Å; Y337-H357 WeakPolarHBondContact CD1-O 3.21Å; Y337-R358 HydrophobicContact CD1-CB 4.05Å; Y337-R358 HydrophobicContact CD1-CG 4.16Å; Y337-R358 HydrophobicContact CE1-CB 3.79Å; Y337-R358 HydrophobicContact CE1-CG 3.64Å
338L96.6Very high94.7Very high2 Ų231 Ų311%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-109.5122.9166.1170.966.1000109.3F22 L29 V42 L48 L330 A332 V340 H357 L359F22-L338 HydrophobicContact CE1-CD1 4.42Å; F22-L338 HydrophobicContact CZ-CD1 4.06Å; L29-L338 HydrophobicContact CD2-CB 4.41Å; L29-L338 HydrophobicContact CD2-CD1 4.34Å; L29-L338 HydrophobicContact CD2-CD2 4.14Å; V42-L338 HydrophobicContact CG1-CD2 3.63Å; L48-L338 HydrophobicContact CD1-CD2 3.77Å; L48-L338 HydrophobicContact CD2-CD2 4.35Å; L330-L338 HydrophobicContact CB-CD1 4.19Å; A332-L338 HydrophobicContact CB-CD1 4.31Å; L338-V340 HydrophobicContact CG-CG2 4.49Å; L338-H357 HydrophobicContact CB-CB 4.37Å; L338-H357 PolarHBondContact N-O 3.09Å; L338-H357 PolarHBondContact O-N 3.14Å; L338-L359 HydrophobicContact CB-CD2 4.03Å
339Y97Very high94.5Very high16 Ų1631.9 Ų31.96%0.06318%0.175CC..EExtended strand (participates in β ladder)trans-105.7136.1178-59.4-100.8000109.6M311 V331 E335 Y337 Y341 L353 K356M311-Y339 HydrophobicContact CE-CD2 4.29Å; M311-Y339 HydrophobicContact CE-CE2 3.33Å; M311-Y339 WeakPolarHBondContact CE-OH 3.46Å; V331-Y339 PolarHBondContact N-O 3.37Å; V331-Y339 PolarHBondContact O-N 2.85Å; E335-Y339 PolarHBondContact OE2-OH 3.37Å; Y337-Y339 VanDerWaalsContact CB-CE2 3.44Å; Y337-Y339 HydrophobicContact CG-CE2 4.41Å; Y339-Y341 HydrophobicContact CG-CE2 4.5Å; Y339-L353 HydrophobicContact CD1-CD1 4.12Å; Y339-K356 HydrophobicContact CD1-CB 4.36Å; Y339-K356 HydrophobicContact CD1-CD 4.16Å; Y339-K356 HydrophobicContact CD1-CG 4.05Å; Y339-K356 HydrophobicContact CE1-CD 3.54Å; Y339-K356 HydrophobicContact CE1-CG 3.9Å; Y339-K356 WeakPolarHBondContact OH-CE 3.37Å; Y339-K356 PolarHBondContact OH-NZ 3.12Å
340V97.7Very high94.4Very high3 Ų338.7 Ų38.72%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-121116-177.6-175.20000109.4V45 R328 L330 L338 V354 Q355V45-V340 HydrophobicContact CG1-CG1 4.2Å; R328-V340 HydrophobicContact CB-CG1 4.41Å; R328-V340 HydrophobicContact CG-CG1 4.38Å; L330-V340 HydrophobicContact CD2-CB 4.32Å; L330-V340 HydrophobicContact CD2-CG1 3.97Å; L330-V340 HydrophobicContact CD2-CG2 3.84Å; L338-V340 HydrophobicContact CG-CG2 4.49Å; V340-V354 PolarHBondContact O-N 2.8Å; V340-Q355 HydrophobicContact CB-CB 4.37Å; V340-Q355 PolarHBondContact N-O 3.21Å; V340-Q355 PolarHBondContact O-N 3.36Å
341Y97.9Very high94.3Very high13 Ų1339.1 Ų39.15%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-112.7143.4-178.1-61-98.9000112V307 L309 R328 L329 V331 Y339 V352 L353V307-Y341 HydrophobicContact CG1-CD1 3.36Å; V307-Y341 HydrophobicContact CG1-CD2 3.83Å; V307-Y341 HydrophobicContact CG1-CE1 3.2Å; V307-Y341 HydrophobicContact CG1-CE2 3.68Å; V307-Y341 HydrophobicContact CG1-CG 3.68Å; L309-Y341 HydrophobicContact CD2-CE2 4.22Å; R328-Y341 VanDerWaalsContact CA-O 3.3Å; R328-Y341 WeakPolarHBondContact CA-O 3.25Å; R328-Y341 WeakPolarHBondContact CD-O 3.46Å; L329-Y341 PolarHBondContact N-O 3.45Å; L329-Y341 PolarHBondContact O-N 2.82Å; V331-Y341 HydrophobicContact CG2-CD2 4.43Å; V331-Y341 HydrophobicContact CG2-CE2 4.25Å; Y339-Y341 HydrophobicContact CG-CE2 4.5Å; Y341-V352 CarbonylContact C-O 3.54Å; Y341-V352 VanDerWaalsContact CA-O 3.3Å; Y341-V352 WeakPolarHBondContact CA-O 3.39Å; Y341-L353 VanDerWaalsContact CD1-CA 3.47Å; Y341-L353 HydrophobicContact CD1-CB 3.85Å; Y341-L353 HydrophobicContact CD1-CD1 4.08Å; Y341-L353 HydrophobicContact CD2-CD1 4.31Å; Y341-L353 HydrophobicContact CE1-CB 3.68Å; Y341-L353 HydrophobicContact CE1-CD1 3.77Å; Y341-L353 HydrophobicContact CE1-CG 4.29Å; Y341-L353 HydrophobicContact CE2-CD1 4.03Å; Y341-L353 HydrophobicContact CG-CD1 4.34Å
342N96.6Very high94.1Very high55 Ų5543.8 Ų43.829%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-78.7125.3169.8-178.462.1000109.4R328 C351 V352 V354R328-N342 PolarHBondContact NH1-OD1 2.8Å; N342-C351 WeakPolarHBondContact O-CA 3.31Å; N342-C351 VanDerWaalsContact O-CB 3.26Å; N342-C351 WeakPolarHBondContact O-CB 3.39Å; N342-V352 PolarHBondContact N-O 2.77Å; N342-V354 HydrophobicContact CB-CG2 3.66Å
343V96.5Very high94.2Very high3 Ų347.6 Ų47.62%0.01826%0.258CS..PPolyproline II helixtrans-102.4132.2171.2-175.50000107.3I258 A305 L320 P327 L329I258-V343 HydrophobicContact CD1-CB 4.48Å; I258-V343 HydrophobicContact CD1-CG1 3.96Å; I258-V343 HydrophobicContact CD1-CG2 3.63Å; A305-V343 HydrophobicContact CB-CG1 4.46Å; L320-V343 HydrophobicContact CD2-CG2 4.36Å; P327-V343 HydrophobicContact CB-CB 4.33Å; P327-V343 HydrophobicContact CG-CB 4.3Å; P327-V343 WeakPolarHBondContact CG-O 3.43Å; P327-V343 PolarHBondContact O-N 2.77Å; L329-V343 HydrophobicContact CB-CG2 4.04Å
344D95Very high94.3Very high60 Ų6050.9 Ų50.932%0.32128%0.277SS..PPolyproline II helixtrans-84.3121.4168.4-164.6-68.4000109.5F304 Q346 D347 G348F304-D344 VanDerWaalsContact CE1-O 3.27Å; F304-D344 WeakPolarHBondContact CE1-O 3.18Å; F304-D344 WeakPolarHBondContact CZ-O 3.25Å; D344-Q346 VanDerWaalsContact C-N 3.33Å; D344-Q346 WeakPolarHBondContact OD1-CA 3.3Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.14Å; D344-Q346 PolarHBondContact OD1-N 2.99Å; D344-D347 PolarHBondContact OD1-N 3Å; D344-G348 WeakPolarHBondContact O-CA 3.29Å; D344-G348 PolarHBondContact O-N 2.85Å
345P92.2Very high94.6Very high45 Ų4552.9 Ų52.929%0.29228%0.284SS..THydrogen-bonded Turntrans-78.2-13.4-178.630.4-33.6000114.3F246 P327F246-P345 HydrophobicContact CE2-CB 4.42Å; F246-P345 HydrophobicContact CZ-CB 4.2Å; P327-P345 HydrophobicContact CG-CB 4.16Å; P327-P345 HydrophobicContact CG-CG 4.25Å
346Q91.2Very high94.9Very high142 Ų14254.9 Ų54.966%0.66429%0.292SS*.THydrogen-bonded Turntrans-97.4-60-179.5-54.3-59.5-21.700110.5F304 D344F304-Q346 WeakPolarHBondContact CE2-O 3.16Å; D344-Q346 VanDerWaalsContact C-N 3.33Å; D344-Q346 WeakPolarHBondContact OD1-CA 3.3Å; D344-Q346 WeakPolarHBondContact OD1-CB 3.14Å; D344-Q346 PolarHBondContact OD1-N 2.99Å
347D91.1Very high95.1Very high144 Ų14455.8 Ų55.877%0.7730%0.296SS*.THydrogen-bonded Turntrans-98.2-19.6-169.2-67.7-31.3000113.4D344 G349D344-D347 PolarHBondContact OD1-N 3Å; D347-G349 PolarHBondContact O-N 2.95Å
348G92.5Very high95.1Very high12 Ų1258.5 Ų58.512%0.12431%0.306CS..  trans68.5-118.1176.900000113.5F304 D344F304-G348 VanDerWaalsContact CE1-CA 3.49Å; F304-G348 VanDerWaalsContact CZ-CA 3.4Å; F304-G348 VanDerWaalsContact CZ-N 3.31Å; F304-G348 WeakPolarHBondContact O-CA 3.43Å; D344-G348 WeakPolarHBondContact O-CA 3.29Å; D344-G348 PolarHBondContact O-N 2.85Å
349G93.2Very high94.9Very high36 Ų3658.6 Ų58.637%0.37131%0.306SS..EExtended strand (participates in β ladder)trans78.1-149.1173.300000115.4F304 A305 T306 D347F304-G349 PolarHBondContact O-N 2.84Å; A305-G349 CarbonylContact C-O 3.52Å; A305-G349 WeakPolarHBondContact CA-O 3.26Å; A305-G349 WeakPolarHBondContact CB-O 3.49Å; T306-G349 PolarHBondContact N-O 2.92Å; D347-G349 PolarHBondContact O-N 2.95Å
350E95Very high94.3Very high142 Ų14259.2 Ų59.266%0.66431%0.309SS*.EExtended strand (participates in β ladder)trans-85.7116.3178.6-173.7165.2-154.900110.8T306T306-E350 WeakPolarHBondContact O-CA 3.37Å
351C96.3Very high93Very high11 Ų1166.9 Ų66.97%0.07435%0.345CS..PPolyproline II helixtrans-74.7128.1-175.6-55.30000111.8T306 V307 N342T306-C351 PolarHBondContact O-N 2.74Å; V307-C351 HydrophobicContact CG2-CB 3.64Å; N342-C351 WeakPolarHBondContact O-CA 3.31Å; N342-C351 VanDerWaalsContact O-CB 3.26Å; N342-C351 WeakPolarHBondContact O-CB 3.39Å
352V94.6Very high90.7Very high99 Ų9969.2 Ų69.260%0.636%0.363SS*.EExtended strand (participates in β ladder)trans-80132.8-179.3-1780000110.8Y341 N342 V354Y341-V352 CarbonylContact C-O 3.54Å; Y341-V352 VanDerWaalsContact CA-O 3.3Å; Y341-V352 WeakPolarHBondContact CA-O 3.39Å; N342-V352 PolarHBondContact N-O 2.77Å; V352-V354 PolarHBondContact O-N 2.95Å
353L96.9Very high88.2Confident81 Ų8169.2 Ų69.242%0.42438%0.376SS..EExtended strand (participates in β ladder)trans-67.1125171-179.167.7000109.6Y339 Y341 Q355Y339-L353 HydrophobicContact CD1-CD1 4.12Å; Y341-L353 VanDerWaalsContact CD1-CA 3.47Å; Y341-L353 HydrophobicContact CD1-CB 3.85Å; Y341-L353 HydrophobicContact CD1-CD1 4.08Å; Y341-L353 HydrophobicContact CD2-CD1 4.31Å; Y341-L353 HydrophobicContact CE1-CB 3.68Å; Y341-L353 HydrophobicContact CE1-CD1 3.77Å; Y341-L353 HydrophobicContact CE1-CG 4.29Å; Y341-L353 HydrophobicContact CE2-CD1 4.03Å; Y341-L353 HydrophobicContact CG-CD1 4.34Å; L353-Q355 WeakPolarHBondContact CD1-O 3.43Å
354V95.8Very high85.7Confident69 Ų6973.2 Ų73.242%0.41840%0.395SS..EExtended strand (participates in β ladder)trans-99.9-43.8179.4-172.20000111.2V45 V340 N342 V352V45-V354 HydrophobicContact CG1-CB 4.34Å; V45-V354 HydrophobicContact CG1-CG1 3.71Å; V340-V354 PolarHBondContact O-N 2.8Å; N342-V354 HydrophobicContact CB-CG2 3.66Å; V352-V354 PolarHBondContact O-N 2.95Å
355Q96.1Very high83.3Confident68 Ų6874.4 Ų74.432%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-150.2149.5-177.5-176.759.9-53.100112.1V45 D46 V340 L353 H357V45-Q355 HydrophobicContact CG1-CB 4.08Å; V45-Q355 WeakPolarHBondContact O-CG 3.15Å; D46-Q355 PolarHBondContact O-NE2 2.94Å; V340-Q355 HydrophobicContact CB-CB 4.37Å; V340-Q355 PolarHBondContact N-O 3.21Å; V340-Q355 PolarHBondContact O-N 3.36Å; L353-Q355 WeakPolarHBondContact CD1-O 3.43Å; Q355-H357 VanDerWaalsContact CG-NE2 3.34Å; Q355-H357 WeakPolarHBondContact CG-NE2 3.07Å
356K95.8Very high80.5Confident89 Ų8978.1 Ų78.139%0.38741%0.412SS..EExtended strand (participates in β ladder)trans-126.6118.2173177.4-180175.5162.60109.6Y337 Y339Y337-K356 HydrophobicContact CD1-CD 4.24Å; Y337-K356 HydrophobicContact CD1-CG 4.15Å; Y339-K356 HydrophobicContact CD1-CB 4.36Å; Y339-K356 HydrophobicContact CD1-CD 4.16Å; Y339-K356 HydrophobicContact CD1-CG 4.05Å; Y339-K356 HydrophobicContact CE1-CD 3.54Å; Y339-K356 HydrophobicContact CE1-CG 3.9Å; Y339-K356 WeakPolarHBondContact OH-CE 3.37Å; Y339-K356 PolarHBondContact OH-NZ 3.12Å
357H95.8Very high78.1Confident21 Ų2178.8 Ų78.810%0.09742%0.415CS..EExtended strand (participates in β ladder)trans-104.9137.7177.1-65.1-67.3000111.1V45 L48 Y337 L338 Q355V45-H357 PolarHBondContact O-CE1 3.16Å; V45-H357 PolarHBondContact O-NE2 3.46Å; L48-H357 HydrophobicContact CB-CB 4.03Å; L48-H357 HydrophobicContact CD2-CB 3.71Å; L48-H357 HydrophobicContact CG-CB 4.46Å; Y337-H357 CarbonylContact C-O 3.59Å; Y337-H357 VanDerWaalsContact CA-O 3.31Å; Y337-H357 WeakPolarHBondContact CA-O 3.45Å; Y337-H357 WeakPolarHBondContact CD1-O 3.21Å; L338-H357 HydrophobicContact CB-CB 4.37Å; L338-H357 PolarHBondContact N-O 3.09Å; L338-H357 PolarHBondContact O-N 3.14Å; Q355-H357 VanDerWaalsContact CG-NE2 3.34Å; Q355-H357 WeakPolarHBondContact CG-NE2 3.07Å
358R93.4Very high75.7Confident117 Ų11778.8 Ų78.844%0.44241%0.41SS..EExtended strand (participates in β ladder)trans-85.7134.5169.4-162.3179.6156.4160.2-3.4108.2Y337 F360 E365Y337-R358 HydrophobicContact CD1-CB 4.05Å; Y337-R358 HydrophobicContact CD1-CG 4.16Å; Y337-R358 HydrophobicContact CE1-CB 3.79Å; Y337-R358 HydrophobicContact CE1-CG 3.64Å; R358-F360 WeakPolarHBondContact CD-O 3.39Å; R358-F360 WeakPolarHBondContact CG-O 3.26Å; R358-F360 PolarHBondContact NE-O 3.2Å; R358-E365 IonicContact CZ-OE1 3.5Å; R358-E365 IonicContact NH1-OE1 3.37Å; R358-E365 PolarHBondContact NH1-OE1 3.02Å; R358-E365 IonicContact NH2-OE1 2.69Å; R358-E365 PolarHBondContact NH2-OE1 3.4Å
359L92Very high73.1Confident4 Ų484.5 Ų84.52%0.02143%0.434CS..SBendtrans-87.7-15.8-176.9-61.9176.4000113.1L29 V31 F40 L48 G336 L338L29-L359 HydrophobicContact CD2-CD2 3.98Å; V31-L359 HydrophobicContact CG2-CD1 4.24Å; F40-L359 HydrophobicContact CD2-CD2 4.36Å; F40-L359 HydrophobicContact CE2-CD2 4.17Å; F40-L359 WeakPolarHBondContact CZ-O 3.48Å; L48-L359 HydrophobicContact CD2-CD2 3.67Å; G336-L359 WeakPolarHBondContact O-CB 3.44Å; G336-L359 PolarHBondContact O-N 3.47Å; L338-L359 HydrophobicContact CB-CD2 4.03Å
360F84.4Confident70.4Confident30 Ų3088.1 Ų88.113%0.13244%0.439CS..SBendtrans-133.6135.3-177.7-45.8-60.7000108.9F17 V31 T33 R358F17-F360 HydrophobicContact CB-CE2 4Å; F17-F360 HydrophobicContact CB-CZ 4.12Å; F17-F360 HydrophobicContact CD2-CE2 4.13Å; F17-F360 AromaticContact CD2-CZ 3.95Å; F17-F360 HydrophobicContact CD2-CZ 3.95Å; V31-F360 HydrophobicContact CG1-CE1 3.97Å; V31-F360 HydrophobicContact CG1-CZ 3.77Å; T33-F360 HydrophobicContact CG2-CD1 4.41Å; T33-F360 HydrophobicContact CG2-CE1 3.48Å; T33-F360 VanDerWaalsContact CG2-CE1 3.48Å; T33-F360 HydrophobicContact CG2-CZ 3.94Å; R358-F360 WeakPolarHBondContact CD-O 3.39Å; R358-F360 WeakPolarHBondContact CG-O 3.26Å; R358-F360 PolarHBondContact NE-O 3.2Å
361E70.8Confident67.9Low163 Ų16388.3 Ų88.376%0.76244%0.44SS*.  trans-79.9157177-60.7-170.216100110.8G363E361-G363 PolarHBondContact O-N 3.01Å; E361-G363 VanDerWaalsContact O-N 3.07Å
362S48.9Very low65.4Low62 Ų6295 Ų9543%0.43447%0.471SS..THydrogen-bonded Turntrans-77.525.9176.2480000113.4E365S362-E365 WeakPolarHBondContact CA-OE1 3.38Å; S362-E365 WeakPolarHBondContact CB-OE1 3.45Å; S362-E365 VanDerWaalsContact CB-OE2 3.27Å; S362-E365 WeakPolarHBondContact CB-OE2 3.21Å
363G44.3Very low62.7Low55 Ų5598.2 Ų98.257%0.56748%0.479SS*.THydrogen-bonded Turntrans-74.1-32.8-178.700000113.1E361 E365E361-G363 PolarHBondContact O-N 3.01Å; E361-G363 VanDerWaalsContact O-N 3.07Å; G363-E365 PolarHBondContact O-N 3.15Å
364E45.3Very low59.9Low88 Ų88101 Ų10141%0.41149%0.494SS..THydrogen-bonded Turntrans-73.5-13.5179.4-67.9162.8-143.500112.1H16 Q366H16-E364 IonicContact CE1-OE2 3.16Å; H16-E364 PolarHBondContact CE1-OE2 3.43Å; H16-E364 IonicContact CG-OE2 2.71Å; H16-E364 IonicContact ND1-OE2 2.76Å; H16-E364 PolarHBondContact ND1-OE2 3.1Å; E364-Q366 VanDerWaalsContact C-N 3.32Å; E364-Q366 PolarHBondContact O-N 3.41Å
365E43.7Very low57.4Low84 Ų84105.1 Ų105.139%0.39351%0.509SS..Hα-helixtrans-74.1-17.4-179-63.2167-15500112.9R358 S362 G363R358-E365 IonicContact CZ-OE1 3.5Å; R358-E365 IonicContact NH1-OE1 3.37Å; R358-E365 PolarHBondContact NH1-OE1 3.02Å; R358-E365 IonicContact NH2-OE1 2.69Å; R358-E365 PolarHBondContact NH2-OE1 3.4Å; S362-E365 WeakPolarHBondContact CA-OE1 3.38Å; S362-E365 WeakPolarHBondContact CB-OE1 3.45Å; S362-E365 VanDerWaalsContact CB-OE2 3.27Å; S362-E365 WeakPolarHBondContact CB-OE2 3.21Å; G363-E365 PolarHBondContact O-N 3.15Å
366Q33.8Very low54.7Low123 Ų123110.9 Ų110.958%0.57554%0.536SS*.Hα-helixtrans-98.9-1.7-173.9-72.9-162.9300116.1E364 K370E364-Q366 VanDerWaalsContact C-N 3.32Å; E364-Q366 PolarHBondContact O-N 3.41Å; Q366-K370 WeakPolarHBondContact O-CG 3.36Å; Q366-K370 PolarHBondContact O-NZ 3.31Å
367E40.1Very low51.9Low156 Ų156114 Ų11473%0.72956%0.557SS**Hα-helixtrans-95.5-38.9174.9-63.9-165.3143.700111.2K370 E371E367-K370 PolarHBondContact O-N 3.04Å; E367-E371 PolarHBondContact O-N 3.01Å
368E41.1Very low49Very low145 Ų145116.2 Ų116.268%0.67859%0.585SS**Hα-helixtrans-64.4-44.6176.1-63-170.7147.600112.4K370 E371 E372E368-K370 PolarHBondContact O-N 2.87Å; E368-K370 VanDerWaalsContact O-N 3.12Å; E368-E371 PolarHBondContact O-N 3.1Å; E368-E372 PolarHBondContact O-N 2.97Å
369E38.3Very low46.2Very low132 Ų132116.9 Ų116.962%0.61761%0.605SS**Hα-helixtrans-56.8-31176.5-71.8-174.4152.300112.9E373E369-E373 PolarHBondContact O-N 2.94Å
370K35.8Very low43.3Very low111 Ų111125.6 Ų125.648%0.48365%0.645SS.*Hα-helixtrans-80.5-22.4179.3-65.8-171-170.692.20113.5Q366 E367 E368 N374Q366-K370 WeakPolarHBondContact O-CG 3.36Å; Q366-K370 PolarHBondContact O-NZ 3.31Å; E367-K370 PolarHBondContact O-N 3.04Å; E368-K370 PolarHBondContact O-N 2.87Å; E368-K370 VanDerWaalsContact O-N 3.12Å; K370-N374 PolarHBondContact O-ND2 3.1Å
371E43.3Very low40.9Very low147 Ų147133.1 Ų133.169%0.68768%0.681SS**Hα-helixtrans-80.5-24.1171.5-65.6-157.3152.600112E367 E368 Q375E367-E371 PolarHBondContact O-N 3.01Å; E368-E371 PolarHBondContact O-N 3.1Å; E371-Q375 PolarHBondContact O-NE2 3.49Å
372E42.6Very low39.1Very low152 Ų152131.5 Ų131.571%0.7168%0.684SS**Hα-helixtrans-77.9-46.6171.1-64.2-162.2149.600112.4E368 N374 Q375E368-E372 PolarHBondContact O-N 2.97Å; E372-N374 PolarHBondContact O-N 3.18Å; E372-Q375 PolarHBondContact O-N 3.19Å; E372-Q375 VanDerWaalsContact O-N 3.12Å
373E38.8Very low38.1Very low166 Ų166133.4 Ų133.478%0.77670%0.704SS**Hα-helixtrans-59.2-21.8177.8-80.8-163.3145.700114E369E369-E373 PolarHBondContact O-N 2.94Å
374N38.3Very low37.4Very low138 Ų138134.1 Ų134.174%0.73871%0.711SS**THydrogen-bonded Turntrans-91.88.8-180-79-80.5000114.6K370 E372K370-N374 PolarHBondContact O-ND2 3.1Å; E372-N374 PolarHBondContact O-N 3.18Å
375Q42.6Very low36.7Very low156 Ų156139.3 Ų139.373%0.72974%0.735SS**SBendtrans-112.2-3.4180-71.6-177.972.700115.4E371 E372 D377E371-Q375 PolarHBondContact O-NE2 3.49Å; E372-Q375 PolarHBondContact O-N 3.19Å; E372-Q375 VanDerWaalsContact O-N 3.12Å; Q375-D377 PolarHBondContact O-N 2.94Å
376E38.9Very low36Very low189 Ų189139.6 Ų139.688%0.88375%0.747SS**  trans-92.954.3174.2-68.6-148.7136.300114.5
377D37Very low35.9Very low156 Ų156143.7 Ų143.783%0.83476%0.758SS**  trans-144.195.9157.7-152.6-2.7000111.9Q375Q375-D377 PolarHBondContact O-N 2.94Å
378G34.9Very low35.6Very low67 Ų67140.8 Ų140.869%0.69176%0.761SS**PPolyproline II helixtrans-91.2119.3-166.700000114.5
379P35.7Very low35.2Very low131 Ų131138.4 Ų138.485%0.85177%0.766SS**PPolyproline II helixtrans-74.9139.318029.4-34.4000113.2
380Q31.7Very low34.9Very low187 Ų187138.1 Ų138.187%0.87477%0.774SS**PPolyproline II helixtrans-76.5154.2-179.4-65.3178.1-9.600113.4
381Q32.4Very low34.7Very low188 Ų188139.5 Ų139.588%0.87979%0.791SS**PPolyproline II helixtrans-67.1148176.8-64177.9-16.400113.5
382P33.7Very low34.1Very low129 Ų129137 Ų13784%0.83880%0.795SS**  trans-113.9155.9144.636.3-29.4000111.7
383A28.5Very low33.7Very low102 Ų102137.9 Ų137.984%0.84380%0.804SS**  trans-131.9128.2-174.900000114.6
384G29.5Very low33.9Very low70 Ų70135.4 Ų135.472%0.72280%0.802SS**  trans92.1160.9147.100000119.6
385Q29.8Very low33.4Very low196 Ų196133 Ų13392%0.91680%0.796SS**  trans71.8148.1174.2-44.3-174.518.400114.8
386S29.4Very low33.1Very low90 Ų90132.1 Ų132.163%0.62980%0.802SS**  cis-148.2-168.4-0.9-157.90000111.4
387Y32.5Very low33.5Very low209 Ų209128.6 Ų128.682%0.8280%0.796SS**  trans-127.3155.9-164.328.2-108.5000116
388A32.4Very low34.3Very low95 Ų95126.4 Ų126.479%0.78579%0.79SS**  trans109.2125148.900000121.9
389A33.5Very low34.1Very low96 Ų96128.6 Ų128.679%0.79379%0.794SS**  trans65157.415000000119.4
390T31.8Very low33.9Very low126 Ų126127.3 Ų127.377%0.77379%0.789SS**  cis-154.1137.323.3-50.50000114.5
391V32.2Very low33.9Very low139 Ų139124 Ų12484%0.84278%0.782SS**  trans13129153.4-174.20000122.6
392A29.9Very low33.9Very low94 Ų94121.6 Ų121.678%0.77778%0.78SS**  -172.1147.2128.100000115.1
393L34.3Very low33.7Very low171 Ų171122.9 Ų122.990%0.89578%0.779SS**  trans-150.7170.5169.6-90173.3000107.1
394P42.1Very low33.7Very low114 Ų114127.3 Ų127.374%0.7478%0.784SS**  cis-131-139.711.539.1-15.1000111.3
395S28.9Very low33.7Very low87 Ų87127.1 Ų127.161%0.60878%0.783SS**  cis-162.5108.7-1.941.50000115.4
396T35.1Very low33.8Very low138 Ų138129.2 Ų129.285%0.84778%0.784SS**  trans66.3-174.3133.976.10000119
397P49.1Very low33.7Very low116 Ų116130.9 Ų130.975%0.75380%0.795SS**  -135.3-131.9-121.837.9-9.7000111.8
398P52.8Low33.8Very low109 Ų109130.5 Ų130.571%0.70880%0.801SS**  cis-134.9179.9-28.939.5-21.8000115.5
399S31.7Very low33.7Very low113 Ų113134.1 Ų134.179%0.7981%0.808SS**  trans176132.7143.1-77.50000108.2
400S31.6Very low33.6Very low104 Ų104132.9 Ų132.973%0.72780%0.804SS**  cis72.5131.332-145.90000113.1
401T30.9Very low33.4Very low119 Ų119130.9 Ų130.973%0.7381%0.808SS**  cis-147177.64.8-19.90000108.3
402T32.4Very low33.6Very low137 Ų137129 Ų12984%0.8481%0.808SS**  -175.7164.667.4-360000109.9
403L29.3Very low33.6Very low155 Ų155134.3 Ų134.381%0.81282%0.816SS**  trans-140.9127.6-169.4-167.1169000111.8
404M29.4Very low33.4Very low195 Ų195137.8 Ų137.896%0.96182%0.817SS**  trans-161.3151.3158.1-78.3-161.5176.800107.9
405G27.6Very low32.8Very low67 Ų67136 Ų13669%0.69182%0.819SS**  cis176.7146.5-6.500000109.7
406Y33.5Very low32.9Very low239 Ų239141.1 Ų141.194%0.93783%0.834SS**  trans-94.3146.9178.1-76.7-92.1000111.7
407S27.6Very low32.6Very low125 Ų125141.2 Ų141.287%0.87483%0.834SS**  trans-145.7140.5162.5-68.30000110.7
408E34Very low31.9Very low201 Ų201142.9 Ų142.994%0.93984%0.835SS**  trans-96.5133.4165.9-58.6170.7119.900108.3
409D30.2Very low30.9Very low172 Ų172142.4 Ų142.492%0.9283%0.832SS**  -172.1166.1122.3-151.5-14.3000109.1
410G30.5Very low31Very low70 Ų70146.1 Ų146.172%0.72284%0.837SS**  trans-96.3172.6-172.400000116.1
411G28.4Very low31Very low83 Ų83148.5 Ų148.586%0.85684%0.836SS**  trans162110.9172.700000111.9
412A35.6Very low31Very low101 Ų101151.8 Ų151.884%0.83584%0.843SS**  trans-87.1139.5-179.400000112.2
413Q30.4Very low31Very low204 Ų204154.9 Ų154.995%0.95385%0.845SS**  trans-150.7171.2154.2-125.2169.18000113
414R29.9Very low31.2Very low244 Ų244152.4 Ų152.492%0.92185%0.847SS**  trans-85.8137-164.5-71169.7164.2166.5-8112.9
415G30.6Very low31.4Very low76 Ų76152.9 Ų152.978%0.78485%0.847SS**  72.6106123.700000118.2
416E29.2Very low31.7Very low196 Ų196152.3 Ų152.392%0.91684%0.842SS**  trans-115.8155.6151.7-67-164.613500109.8
417V30.8Very low31.7Very low139 Ų139146.7 Ų146.784%0.84283%0.834SS**PPolyproline II helixtrans-99.4130.4-171.4176.80000109.7
418I34.2Very low32.4Very low152 Ų152146 Ų14678%0.77982%0.819SS**PPolyproline II helixtrans-77.4128.7172.5-58.1172.2000108.1
419P31Very low32.4Very low99 Ų99141.7 Ų141.764%0.64381%0.81SS**PPolyproline II helixtrans-62135.5-178.6-24.834.8000113.5H421P419-H421 PolarHBondContact O-N 3.02Å
420E33.5Very low33.2Very low191 Ų191137.6 Ų137.689%0.89379%0.788SS**PPolyproline II helixtrans-75.8117.5170.9-64.5177.2-175.400109.7
421H32.5Very low33.5Very low154 Ų154139.5 Ų139.571%0.71378%0.782SS**  trans-115.4100169.8-90.6-69.1000110.6P419 F423P419-H421 PolarHBondContact O-N 3.02Å; H421-F423 PolarHBondContact O-N 2.63Å
422E30Very low33.9Very low188 Ų188141.4 Ų141.488%0.87977%0.772SS**  trans24.385.8150.8-62.1177.4130.200116.8
423F32.8Very low34.3Very low201 Ų201143.9 Ų143.988%0.88277%0.767SS**  trans-67.7135.5154.2-76.5-90.9000109.2H421 E425H421-F423 PolarHBondContact O-N 2.63Å; F423-E425 PolarHBondContact O-N 2.9Å; F423-E425 VanDerWaalsContact O-N 3.13Å
424A33.4Very low34.8Very low103 Ų103140.8 Ų140.885%0.85176%0.756SS**  trans-65.3112.2174.300000110.5G426A424-G426 PolarHBondContact O-N 3.16Å
425E33.3Very low35.2Very low205 Ų205137 Ų13796%0.95875%0.749SS**  trans-68.1112.3176-69.3-161.8131.800111.1F423F423-E425 PolarHBondContact O-N 2.9Å; F423-E425 VanDerWaalsContact O-N 3.13Å
426G35.2Very low35.7Very low56 Ų56141.1 Ų141.158%0.57775%0.746SS**  trans-173.8124.5171.500000111.4A424 I428A424-G426 PolarHBondContact O-N 3.16Å; G426-I428 PolarHBondContact O-N 3.31Å
427P33.4Very low35.9Very low121 Ų121137 Ų13779%0.78674%0.736SS**  trans-66.4132.5171.828.4-33000109.6C429P427-C429 PolarHBondContact O-N 3.41Å
428I40.9Very low36.1Very low109 Ų109136.4 Ų136.456%0.55974%0.735SS**  trans-71100.4173.8-59174.6000107.8G426 L430G426-I428 PolarHBondContact O-N 3.31Å; I428-L430 HydrophobicContact CG2-CD2 4.01Å; I428-L430 HydrophobicContact CG2-CG 4.46Å; I428-L430 PolarHBondContact O-N 3.36Å
429C35.5Very low36.3Very low111 Ų111135.3 Ų135.375%0.7574%0.735SS**  trans-62.7116.9171-66.60000109.5P427P427-C429 PolarHBondContact O-N 3.41Å
430L46.4Very low36.5Very low86 Ų86135.6 Ų135.645%0.4574%0.74SS.*  trans-100.7-1.2172.2-63.4176.3000112.2R127 I428R127-L430 HydrophobicContact CG-CD1 4.3Å; I428-L430 HydrophobicContact CG2-CD2 4.01Å; I428-L430 HydrophobicContact CG2-CG 4.46Å; I428-L430 PolarHBondContact O-N 3.36Å
431D36.8Very low36.7Very low111 Ų111133.8 Ų133.859%0.59474%0.736SS**  trans-110.477.8-170.6-51.1-43.4000109.6
432D37.2Very low36.8Very low123 Ų123135.5 Ų135.566%0.65875%0.745SS**  trans-102.177.8168.1-163.5-4.9000109.5N434D432-N434 PolarHBondContact O-N 3.47Å; D432-N434 PolarHBondContact OD1-ND2 2.7Å
433E42.8Very low37.2Very low153 Ų153131.8 Ų131.872%0.71574%0.739SS**THydrogen-bonded Turntrans-69.17.1-175.4-69.8-91.9104.300113.8
434N41.4Very low37.4Very low138 Ų138133.9 Ų133.974%0.73876%0.76SS**THydrogen-bonded Turntrans-88.6-5.7-176.3-59.8-72.8000114.4D432 F436D432-N434 PolarHBondContact O-N 3.47Å; D432-N434 PolarHBondContact OD1-ND2 2.7Å; N434-F436 PolarHBondContact O-N 3.46Å
435E38.5Very low37.6Very low165 Ų165135.5 Ų135.577%0.77176%0.755SS**  trans-82.837.7180-153.8172-161.200113.2
436F40.8Very low37.9Very low163 Ų163131.8 Ų131.872%0.71574%0.744SS**SBendtrans-123.9132.2172.4-71.4-72.2000111.9N434N434-F436 PolarHBondContact O-N 3.46Å
437P33.2Very low38Very low108 Ų108136 Ų13670%0.70175%0.754SS**  trans-69.2150.8174.530.1-34.7000111.3V439P437-V439 PolarHBondContact O-N 3.04Å
438P35.5Very low38.3Very low128 Ų128136.9 Ų136.983%0.83175%0.752SS**  trans-66.1124.7-171.525.9-34.9000112.6S440P438-S440 PolarHBondContact O-N 2.92Å; P438-S440 VanDerWaalsContact O-N 3.1Å
439V38.3Very low38.1Very low129 Ų129138.6 Ų138.678%0.78276%0.764SS**  trans-72.9101174.2-177.40000109.3P437 N441P437-V439 PolarHBondContact O-N 3.04Å; V439-N441 PolarHBondContact O-N 3.12Å
440S35.7Very low38.3Very low105 Ų105140.5 Ų140.573%0.73477%0.765SS**  trans-7586.717760.50000111.2P438 Q442P438-S440 PolarHBondContact O-N 2.92Å; P438-S440 VanDerWaalsContact O-N 3.1Å; S440-Q442 PolarHBondContact O-N 3.35Å; S440-Q442 VanDerWaalsContact O-N 3.1Å
441N36.2Very low37.7Very low153 Ų153144.4 Ų144.482%0.81879%0.787SS**  trans-60.2110.1164.9-80-14.1000109.9V439V439-N441 PolarHBondContact O-N 3.12Å
442Q35.1Very low37.8Very low190 Ų190146.9 Ų146.989%0.88880%0.802SS**  trans-108.6117.4160.8-73.7-165.8-7.300109.1S440S440-Q442 PolarHBondContact O-N 3.35Å; S440-Q442 VanDerWaalsContact O-N 3.1Å
443S38.4Very low37.8Very low109 Ų109148.9 Ų148.976%0.76281%0.814SS**  trans-91.9121.9172.554.20000110.6
444N38Very low37.4Very low246 Ų246148.5 Ų148.5100%1.31682%0.823SS**  trans-167.80147-99.4-13.8000109.4

Retrieved 444 of 444 residues in 427 ms (Link to these results)

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