G4M0F3_SCHMA Loading...

18 kDa Sin3-associated polypeptide

AlphaFold DB , UniProt , Accession G4M0F3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low66.3Low237 Ų237109.8 Ų109.8100%1.16762%0.616SS**  0105.20-77.3173.2174.500106.9V3M1-V3 PolarHBondContact O-N 3.47Å
2T38.7Very low68.6Low136 Ų136116.2 Ų116.283%0.83464%0.637SS**  trans-69.1110.6174.244.80000107.5S4T2-S4 PolarHBondContact O-N 2.68Å; T2-S4 VanDerWaalsContact O-N 3.12Å
3V47.5Very low70.7Confident139 Ų139120.8 Ų120.884%0.84265%0.647SS**  trans-67.8106.6172.6-1770000105.7M1 D5M1-V3 PolarHBondContact O-N 3.47Å; V3-D5 PolarHBondContact O-N 2.69Å
4S44.2Very low72.4Confident78 Ų78116.5 Ų116.555%0.54563%0.628SS.*  trans-59.2128.2-178.6-51.40000110.2T2 D6T2-S4 PolarHBondContact O-N 2.68Å; T2-S4 VanDerWaalsContact O-N 3.12Å; S4-D6 WeakPolarHBondContact CB-OD2 3.49Å; S4-D6 PolarHBondContact O-N 3.16Å
5D55.7Low74Confident135 Ų135116.3 Ų116.372%0.72264%0.637SS**SBendtrans-64.315.9175.2-93.7-31.8000114.1V3 S7 T8V3-D5 PolarHBondContact O-N 2.69Å; D5-S7 PolarHBondContact O-N 2.95Å; D5-T8 PolarHBondContact O-N 3.27Å
6D61.2Low75.4Confident146 Ų146112.4 Ų112.478%0.78162%0.619SS**THydrogen-bonded Turntrans-64.4-2.4-178.3-63.6-27.2000112.9S4S4-D6 WeakPolarHBondContact CB-OD2 3.49Å; S4-D6 PolarHBondContact O-N 3.16Å
7S75.5Confident76.7Confident59 Ų59106.9 Ų106.941%0.41359%0.588SS.*THydrogen-bonded Turntrans-81.5-19.9180750000114D5 K111D5-S7 PolarHBondContact O-N 2.95Å; S7-K111 VanDerWaalsContact C-NZ 3.3Å; S7-K111 WeakPolarHBondContact O-CE 3.33Å; S7-K111 PolarHBondContact O-NZ 2.86Å
8T88.2Confident77.9Confident87 Ų87105.3 Ų105.353%0.53458%0.579SS.*SBendtrans-116.8138.9-175.856.10000112.1D5D5-T8 PolarHBondContact O-N 3.27Å
9V92Very high78.9Confident43 Ų4399.8 Ų99.826%0.26155%0.548SS..  trans-86.8134.1178.8175.20000109.1R11 T14 W49 D51V9-R11 PolarHBondContact O-N 3.06Å; V9-T14 HydrophobicContact CG1-CG2 3.85Å; V9-W49 HydrophobicContact CB-CB 4.38Å; V9-W49 HydrophobicContact CG1-CB 4.24Å; V9-W49 HydrophobicContact CG1-CG 4.19Å; V9-D51 HydrophobicContact CB-CB 4.37Å; V9-D51 WeakPolarHBondContact CB-OD2 3.26Å; V9-D51 HydrophobicContact CG2-CB 4.05Å; V9-D51 PolarHBondContact N-OD2 2.9Å
10N94.1Very high79.8Confident77 Ų7798.4 Ų98.441%0.41253%0.534SS..  trans-72.593.8168.5-172.9-39.6000109.5E12 K13 T14N10-E12 PolarHBondContact O-N 3.05Å; N10-E12 PolarHBondContact OD1-N 3.37Å; N10-K13 HydrophobicContact CB-CB 4.4Å; N10-K13 PolarHBondContact O-N 3.39Å; N10-K13 PolarHBondContact OD1-N 3.18Å; N10-K13 VanDerWaalsContact OD1-N 3.13Å; N10-T14 VanDerWaalsContact O-CB 3.24Å; N10-T14 WeakPolarHBondContact O-CB 2.97Å; N10-T14 PolarHBondContact O-N 2.9Å; N10-T14 PolarHBondContact O-OG1 2.81Å
11R95.3Very high80.7Confident71 Ų7193.7 Ų93.727%0.26851%0.509SS..THydrogen-bonded Turntrans-65.8-21-174.9-62.6-174.5173.1-171.70.4114.1V9 W49 D51 E56V9-R11 PolarHBondContact O-N 3.06Å; R11-W49 HydrophobicContact CB-CD2 3.92Å; R11-W49 HydrophobicContact CB-CE3 4.18Å; R11-W49 HydrophobicContact CB-CH2 3.98Å; R11-W49 HydrophobicContact CB-CZ2 3.69Å; R11-W49 HydrophobicContact CB-CZ3 4.22Å; R11-W49 HydrophobicContact CG-CB 4.47Å; R11-W49 HydrophobicContact CG-CD2 3.52Å; R11-W49 HydrophobicContact CG-CE3 3.71Å; R11-W49 HydrophobicContact CG-CG 3.88Å; R11-W49 HydrophobicContact CG-CH2 4.41Å; R11-W49 HydrophobicContact CG-CZ2 4.26Å; R11-W49 HydrophobicContact CG-CZ3 4.16Å; R11-W49 VanDerWaalsContact O-CZ2 3.27Å; R11-W49 WeakPolarHBondContact O-CZ2 3.5Å; R11-D51 IonicContact CZ-OD1 3.65Å; R11-D51 IonicContact NE-OD1 2.72Å; R11-D51 PolarHBondContact NE-OD1 2.99Å; R11-D51 IonicContact NE-OD2 3.01Å; R11-D51 IonicContact NH2-OD1 3.77Å; R11-D51 PolarHBondContact NH2-OD1 2.78Å; R11-E56 IonicContact CZ-OE1 3.43Å; R11-E56 IonicContact CZ-OE2 3.33Å; R11-E56 IonicContact NH1-OE1 3.53Å; R11-E56 PolarHBondContact NH1-OE1 2.79Å; R11-E56 IonicContact NH1-OE2 3.67Å; R11-E56 IonicContact NH2-OE1 2.84Å; R11-E56 PolarHBondContact NH2-OE1 2.88Å; R11-E56 IonicContact NH2-OE2 2.83Å; R11-E56 PolarHBondContact NH2-OE2 3.05Å
12E94.5Very high83.6Confident186 Ų18682.4 Ų82.487%0.86945%0.453SS*.THydrogen-bonded Turntrans-78.1-30.6175.2-62.5-179.5173.500112.6N10N10-E12 PolarHBondContact O-N 3.05Å; N10-E12 PolarHBondContact OD1-N 3.37Å
13K95Very high86.3Confident176 Ų17676.7 Ų76.777%0.76542%0.419SS*.THydrogen-bonded Turntrans-101.7-4.8-177.5-63.2-176.1-178.5178.30113.8N10N10-K13 HydrophobicContact CB-CB 4.4Å; N10-K13 PolarHBondContact O-N 3.39Å; N10-K13 PolarHBondContact OD1-N 3.18Å; N10-K13 VanDerWaalsContact OD1-N 3.13Å
14T94.6Very high88.6Confident61 Ų6171 Ų7137%0.37439%0.385SS..SBendtrans-117.1126.7-174.7-50.10000110V9 N10 W49V9-T14 HydrophobicContact CG1-CG2 3.85Å; N10-T14 VanDerWaalsContact O-CB 3.24Å; N10-T14 WeakPolarHBondContact O-CB 2.97Å; N10-T14 PolarHBondContact O-N 2.9Å; N10-T14 PolarHBondContact O-OG1 2.81Å; T14-W49 PolarHBondContact O-NE1 2.97Å
15C96.3Very high91Very high114 Ų11471.5 Ų71.577%0.7739%0.385SS*.PPolyproline II helixtrans-63.4131174.9-172.30000110.4
16P97.4Very high92.7Very high53 Ų5372.5 Ų72.534%0.34438%0.383SS..PPolyproline II helixtrans-68.8149.5177.428.9-35000111.6T48 W49P16-T48 CarbonylContact C-O 3.43Å; P16-T48 VanDerWaalsContact CA-O 3.24Å; P16-T48 WeakPolarHBondContact CA-O 3.16Å; P16-T48 WeakPolarHBondContact CB-O 3.08Å; P16-W49 HydrophobicContact CB-CD2 4.4Å; P16-W49 HydrophobicContact CB-CH2 4.44Å; P16-W49 HydrophobicContact CB-CZ2 3.98Å; P16-W49 HydrophobicContact CG-CZ2 4.41Å
17L97.3Very high94.4Very high19 Ų1973 Ų7310%0.09938%0.378CS..EExtended strand (participates in β ladder)trans-88.2156169.565.484000110.9L19 Y47 T48 F50 F115 I117L17-L19 HydrophobicContact CD1-CB 3.98Å; L17-Y47 CarbonylContact O-C 3.59Å; L17-Y47 WeakPolarHBondContact O-CA 3.29Å; L17-T48 HydrophobicContact CD1-CG2 3.97Å; L17-T48 WeakPolarHBondContact CG-O 3.28Å; L17-T48 PolarHBondContact N-O 2.82Å; L17-T48 PolarHBondContact O-N 3.29Å; L17-F50 HydrophobicContact CD2-CD1 4.23Å; L17-F50 HydrophobicContact CD2-CD2 3.74Å; L17-F50 HydrophobicContact CD2-CE1 4.1Å; L17-F50 HydrophobicContact CD2-CE2 3.58Å; L17-F50 HydrophobicContact CD2-CG 4.07Å; L17-F50 HydrophobicContact CD2-CZ 3.79Å; L17-F115 HydrophobicContact CD1-CE1 4.12Å; L17-F115 HydrophobicContact CD1-CZ 4.44Å; L17-F115 HydrophobicContact CD2-CE1 4.15Å; L17-I117 HydrophobicContact CD2-CG1 4.49Å
18L97.3Very high95.5Very high79 Ų7971.8 Ų71.841%0.41437%0.366SS..EExtended strand (participates in β ladder)trans-88.1110.4170.3179.566.2000109.7Q45 Y47L18-Q45 HydrophobicContact CD1-CB 4.07Å; L18-Y47 HydrophobicContact CB-CD1 4.49Å; L18-Y47 HydrophobicContact CB-CE1 4.31Å; L18-Y47 HydrophobicContact CD1-CD1 4.17Å; L18-Y47 HydrophobicContact CD1-CE1 3.82Å
19L97.6Very high95.9Very high0 Ų068.6 Ų68.60%035%0.346CS..EExtended strand (participates in β ladder)trans-94.6131.7172.2179.967000110.2L17 M21 V46 T48 L57 L110 F115 I121L17-L19 HydrophobicContact CD1-CB 3.98Å; L19-M21 HydrophobicContact CD2-CG 3.93Å; L19-M21 HydrophobicContact CD2-SD 4.06Å; L19-M21 HydrophobicContact CG-CG 4.03Å; L19-V46 HydrophobicContact CB-CB 4.37Å; L19-V46 PolarHBondContact N-O 3.35Å; L19-V46 PolarHBondContact O-N 3.04Å; L19-T48 HydrophobicContact CB-CG2 3.91Å; L19-T48 HydrophobicContact CD2-CG2 4.1Å; L19-L57 HydrophobicContact CD2-CD1 4.09Å; L19-L57 HydrophobicContact CD2-CD2 3.72Å; L19-L110 HydrophobicContact CD2-CD1 4.16Å; L19-F115 HydrophobicContact CD1-CD2 4.47Å; L19-F115 HydrophobicContact CD1-CE1 4.49Å; L19-F115 HydrophobicContact CD1-CE2 3.53Å; L19-F115 HydrophobicContact CD1-CZ 3.55Å; L19-I121 HydrophobicContact CD1-CG1 3.9Å
20R97.4Very high96Very high71 Ų7170.9 Ų70.927%0.26836%0.356SS..EExtended strand (participates in β ladder)trans-103.6118.4173-62.2176.372.1-153.61.6109.5F22 T39 E43 M120 I121R20-F22 HydrophobicContact CB-CE2 4.1Å; R20-F22 HydrophobicContact CB-CZ 4.44Å; R20-T39 PolarHBondContact NH2-OG1 3.48Å; R20-E43 IonicContact CZ-OE1 3.35Å; R20-E43 IonicContact CZ-OE2 2.7Å; R20-E43 IonicContact NE-OE1 3.35Å; R20-E43 PolarHBondContact NE-OE1 3.22Å; R20-E43 IonicContact NE-OE2 3.04Å; R20-E43 IonicContact NH2-OE1 3.53Å; R20-E43 PolarHBondContact NH2-OE1 3.22Å; R20-E43 IonicContact NH2-OE2 3.95Å; R20-E43 PolarHBondContact NH2-OE2 3.36Å; R20-M120 HydrophobicContact CB-CG 4.27Å; R20-I121 PolarHBondContact O-N 3.38Å
21M97.4Very high96Very high0 Ų069 Ų690%035%0.347CS..EExtended strand (participates in β ladder)trans-112.4144.2176.8-61.1177.363.200110.3L19 E43 L44 V46 L57 V61 F77 I121 V123L19-M21 HydrophobicContact CD2-CG 3.93Å; L19-M21 HydrophobicContact CD2-SD 4.06Å; L19-M21 HydrophobicContact CG-CG 4.03Å; M21-E43 CarbonylContact O-C 3.58Å; M21-E43 WeakPolarHBondContact O-CA 3.25Å; M21-L44 HydrophobicContact CB-CB 4.21Å; M21-L44 PolarHBondContact N-O 3.12Å; M21-L44 PolarHBondContact O-N 3.48Å; M21-L44 HydrophobicContact SD-CD2 4.39Å; M21-V46 HydrophobicContact SD-CG2 3.87Å; M21-L57 HydrophobicContact CE-CB 3.95Å; M21-L57 HydrophobicContact SD-CB 4.32Å; M21-L57 HydrophobicContact SD-CD2 4.08Å; M21-V61 HydrophobicContact CE-CG2 3.66Å; M21-F77 HydrophobicContact CE-CE1 3.99Å; M21-I121 CarbonylContact C-O 3.48Å; M21-I121 WeakPolarHBondContact CA-O 3.36Å; M21-I121 HydrophobicContact CE-CG2 4.44Å; M21-I121 HydrophobicContact CG-CB 4.14Å; M21-I121 HydrophobicContact CG-CG2 4.43Å; M21-V123 HydrophobicContact CE-CG2 3.6Å
22F97.6Very high95.9Very high0 Ų071.2 Ų71.20%036%0.364CS..EExtended strand (participates in β ladder)trans-123.4124.7176.9-62.4-86.9000109.3R20 Y34 T39 P40 E43 M120 I121 D122 V123R20-F22 HydrophobicContact CB-CE2 4.1Å; R20-F22 HydrophobicContact CB-CZ 4.44Å; F22-Y34 AromaticContact CD2-CE1 3.68Å; F22-Y34 HydrophobicContact CD2-CE1 3.68Å; F22-Y34 AromaticContact CE2-CE1 3.98Å; F22-Y34 HydrophobicContact CE2-CE1 3.98Å; F22-Y34 HydrophobicContact CG-CE1 4.04Å; F22-T39 VanDerWaalsContact CE1-CB 3.45Å; F22-T39 HydrophobicContact CE1-CG2 4.15Å; F22-T39 HydrophobicContact CZ-CG2 3.77Å; F22-P40 HydrophobicContact CB-CB 4.43Å; F22-P40 HydrophobicContact CB-CG 4.41Å; F22-P40 HydrophobicContact CD1-CB 3.98Å; F22-P40 HydrophobicContact CD1-CG 4.17Å; F22-P40 HydrophobicContact CG-CB 4.5Å; F22-P40 HydrophobicContact CG-CG 4.37Å; F22-E43 HydrophobicContact CD1-CB 4.02Å; F22-E43 HydrophobicContact CD1-CG 4.31Å; F22-E43 HydrophobicContact CE1-CB 3.63Å; F22-E43 HydrophobicContact CE1-CG 3.65Å; F22-E43 HydrophobicContact CZ-CB 4.42Å; F22-E43 HydrophobicContact CZ-CG 3.93Å; F22-M120 HydrophobicContact CD2-CB 4.26Å; F22-M120 HydrophobicContact CE2-CB 3.91Å; F22-M120 HydrophobicContact CE2-CG 3.86Å; F22-M120 HydrophobicContact CE2-SD 3.52Å; F22-M120 VanDerWaalsContact CE2-SD 3.52Å; F22-M120 HydrophobicContact CZ-SD 4.01Å; F22-I121 PolarHBondContact N-O 2.75Å; F22-D122 VanDerWaalsContact O-OD1 3.11Å; F22-V123 PolarHBondContact O-N 2.98Å
23C96.3Very high95.9Very high16 Ų1666.3 Ų66.311%0.10834%0.341CS..EExtended strand (participates in β ladder)trans-103.4130-176.6-63.50000111.1N42 V123 I125C23-N42 HydrophobicContact CB-CB 4.36Å; C23-N42 PolarHBondContact N-O 2.77Å; C23-N42 WeakPolarHBondContact O-CB 3.21Å; C23-N42 PolarHBondContact O-ND2 2.85Å; C23-N42 VanDerWaalsContact O-ND2 3.15Å; C23-V123 WeakPolarHBondContact CA-O 3.27Å; C23-I125 HydrophobicContact CB-CD1 4.21Å
24S95.5Very high95.8Very high20 Ų2058 Ų5814%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-125.4162.4172.1177.40000110.8K27 V123 I125S24-K27 WeakPolarHBondContact CB-O 3.43Å; S24-K27 PolarHBondContact OG-O 3.27Å; S24-V123 PolarHBondContact N-O 3.42Å; S24-I125 PolarHBondContact O-N 2.8Å
25T93.7Very high95.6Very high89 Ų8955.9 Ų55.955%0.54629%0.292SS..EExtended strand (participates in β ladder)trans-101.3131.1177.9-59.70000109.6K27T25-K27 PolarHBondContact O-N 3.24Å
26K92.6Very high95Very high155 Ų15561.8 Ų61.867%0.67430%0.299SS*.SBendtrans66.9-30.3177.9-61.7170.9-178.5-175.70117.4I125K26-I125 PolarHBondContact N-O 2.89Å
27K96.5Very high94.4Very high158 Ų15863.1 Ų63.169%0.68732%0.322SS*.SBendtrans-145.8158179.865.4174.4-175174.90111.5S24 T25S24-K27 WeakPolarHBondContact CB-O 3.43Å; S24-K27 PolarHBondContact OG-O 3.27Å; T25-K27 PolarHBondContact O-N 3.24Å
28H97.8Very high94.1Very high32 Ų3271.4 Ų71.415%0.14835%0.352CS..PPolyproline II helixtrans-59.4150.8172.7-77.7-66.5000112.1D76 A78 M91 D122H28-D76 IonicContact CD2-OD2 3.36Å; H28-D76 PolarHBondContact CE1-O 3.03Å; H28-D76 IonicContact NE2-OD2 3.7Å; H28-D76 PolarHBondContact NE2-OD2 2.94Å; H28-A78 VanDerWaalsContact CE1-CB 3.48Å; H28-A78 WeakPolarHBondContact CE1-CB 3.23Å; H28-M91 HydrophobicContact CB-CE 4.03Å; H28-M91 HydrophobicContact CB-SD 3.7Å; H28-D122 WeakPolarHBondContact CA-OD2 3.46Å; H28-D122 VanDerWaalsContact CB-OD2 3.25Å; H28-D122 WeakPolarHBondContact CB-OD2 3.28Å; H28-D122 PolarHBondContact CE1-O 2.83Å; H28-D122 IonicContact CE1-OD2 3.95Å; H28-D122 IonicContact CG-OD2 3.88Å; H28-D122 IonicContact ND1-OD2 3.87Å; H28-D122 PolarHBondContact ND1-OD2 2.84Å
29N96.7Very high93.9Very high21 Ų2169.7 Ų69.711%0.11235%0.345CS..PPolyproline II helixtrans-62.1150171.9-72.2-60.5000109.8V31 Y34 P40 D122N29-V31 PolarHBondContact O-N 3.13Å; N29-Y34 HydrophobicContact CB-CE2 4.09Å; N29-P40 HydrophobicContact CB-CB 4.37Å; N29-P40 HydrophobicContact CB-CG 3.71Å; N29-D122 PolarHBondContact N-OD2 3.36Å; N29-D122 PolarHBondContact ND2-OD1 3.02Å
30N95.2Very high93.7Very high90 Ų9070 Ų7048%0.48135%0.347SS..PPolyproline II helixtrans-68.7131.9178.4-174.2-21.4000109.3L32 E33N30-L32 PolarHBondContact O-N 2.67Å; N30-L32 PolarHBondContact OD1-N 3.5Å; N30-E33 HydrophobicContact CB-CG 4.17Å; N30-E33 WeakPolarHBondContact CB-OE1 3.33Å; N30-E33 PolarHBondContact N-OE1 3.22Å; N30-E33 VanDerWaalsContact N-OE1 3.12Å; N30-E33 VanDerWaalsContact O-CB 3.23Å; N30-E33 WeakPolarHBondContact O-CB 3.22Å; N30-E33 PolarHBondContact O-N 2.69Å
31V94.1Very high93.4Very high37 Ų3774.6 Ų74.622%0.22438%0.375CS..G310 helixtrans-53.3-30.9178.6-177.10000112.5N29 E33 Y34 Y89 M91N29-V31 PolarHBondContact O-N 3.13Å; V31-E33 PolarHBondContact O-N 2.9Å; V31-Y34 PolarHBondContact O-N 2.7Å; V31-Y89 WeakPolarHBondContact CG1-O 3.31Å; V31-M91 HydrophobicContact CG2-CB 3.78Å; V31-M91 HydrophobicContact CG2-CE 4.39Å
32L92.8Very high93.2Very high118 Ų11879.3 Ų79.362%0.61840%0.4SS*.G310 helixtrans-64.1-23.2175.8-62.8178000113.6N30 Y34 S35N30-L32 PolarHBondContact O-N 2.67Å; N30-L32 PolarHBondContact OD1-N 3.5Å; L32-Y34 PolarHBondContact O-N 2.76Å; L32-S35 VanDerWaalsContact O-CB 3.29Å; L32-S35 WeakPolarHBondContact O-CB 3.18Å; L32-S35 PolarHBondContact O-N 2.8Å; L32-S35 PolarHBondContact O-OG 2.79Å
33E93.9Very high93.1Very high84 Ų8480.1 Ų80.139%0.39340%0.404SS..G310 helixtrans-69.6-20.6178.1-65.1178-128.700113.1N30 V31 S35 R38 P40N30-E33 HydrophobicContact CB-CG 4.17Å; N30-E33 WeakPolarHBondContact CB-OE1 3.33Å; N30-E33 PolarHBondContact N-OE1 3.22Å; N30-E33 VanDerWaalsContact N-OE1 3.12Å; N30-E33 VanDerWaalsContact O-CB 3.23Å; N30-E33 WeakPolarHBondContact O-CB 3.22Å; N30-E33 PolarHBondContact O-N 2.69Å; V31-E33 PolarHBondContact O-N 2.9Å; E33-S35 VanDerWaalsContact C-N 3.31Å; E33-R38 CarbonylContact O-C 3.54Å; E33-R38 VanDerWaalsContact O-C 3.24Å; E33-R38 VanDerWaalsContact O-O 3.11Å; E33-P40 HydrophobicContact CB-CG 4.09Å
34Y94Very high93Very high1 Ų179.6 Ų79.60%0.00440%0.4CS..G310 helixtrans-84.9-6.5175.2-60.1-86.7000113F22 N29 V31 L32 R38 T39 P40 V80 Y89 M91 M120 D122F22-Y34 AromaticContact CD2-CE1 3.68Å; F22-Y34 HydrophobicContact CD2-CE1 3.68Å; F22-Y34 AromaticContact CE2-CE1 3.98Å; F22-Y34 HydrophobicContact CE2-CE1 3.98Å; F22-Y34 HydrophobicContact CG-CE1 4.04Å; N29-Y34 HydrophobicContact CB-CE2 4.09Å; V31-Y34 PolarHBondContact O-N 2.7Å; L32-Y34 PolarHBondContact O-N 2.76Å; Y34-R38 CarbonylContact C-O 3.58Å; Y34-R38 WeakPolarHBondContact CA-O 3.48Å; Y34-T39 HydrophobicContact CD1-CG2 4.4Å; Y34-P40 HydrophobicContact CE1-CG 4.01Å; Y34-P40 HydrophobicContact CE2-CG 4.14Å; Y34-V80 HydrophobicContact CD1-CG1 3.92Å; Y34-V80 HydrophobicContact CD2-CG1 3.95Å; Y34-V80 HydrophobicContact CE1-CG1 4.12Å; Y34-V80 HydrophobicContact CE2-CG1 4.17Å; Y34-V80 HydrophobicContact CE2-CG2 4.23Å; Y34-V80 HydrophobicContact CG-CG1 3.81Å; Y34-Y89 WeakPolarHBondContact O-CD2 3.5Å; Y34-Y89 WeakPolarHBondContact O-CE2 2.99Å; Y34-M91 HydrophobicContact CE2-CE 4.39Å; Y34-M120 HydrophobicContact CD1-CE 3.53Å; Y34-M120 HydrophobicContact CD1-SD 3.93Å; Y34-M120 HydrophobicContact CE1-CE 4.22Å; Y34-M120 HydrophobicContact CE1-SD 4.24Å; Y34-M120 HydrophobicContact CG-CE 4.28Å; Y34-D122 VanDerWaalsContact OH-CG 3.3Å; Y34-D122 PolarHBondContact OH-OD1 3.5Å
35S89.2Confident93.1Very high16 Ų1680 Ų8011%0.11240%0.399CS..G310 helixtrans-78.2155.9-176-60.30000112.3L32 E33 G37 R38L32-S35 VanDerWaalsContact O-CB 3.29Å; L32-S35 WeakPolarHBondContact O-CB 3.18Å; L32-S35 PolarHBondContact O-N 2.8Å; L32-S35 PolarHBondContact O-OG 2.79Å; E33-S35 VanDerWaalsContact C-N 3.31Å; S35-G37 VanDerWaalsContact C-N 3.29Å; S35-G37 PolarHBondContact O-N 2.7Å; S35-R38 PolarHBondContact O-N 2.76Å
36R85.2Confident93.2Very high239 Ų23975.7 Ų75.790%0.90237%0.373SS*.G310 helixtrans57.834.9173.8-52-176.2-177.5107.9-1.8114.5R38R36-R38 PolarHBondContact O-N 2.84Å
37G84.2Confident93.4Very high80 Ų8073.6 Ų73.683%0.82536%0.362SS*.G310 helixtrans71.88178.100000114.5S35S35-G37 VanDerWaalsContact C-N 3.29Å; S35-G37 PolarHBondContact O-N 2.7Å
38R90.3Very high93.4Very high193 Ų19366.1 Ų66.173%0.72833%0.329SS*.  trans-87157.9170.1-60.7-174.6-179.4-171.6-0.9109.5E33 Y34 S35 R36E33-R38 CarbonylContact O-C 3.54Å; E33-R38 VanDerWaalsContact O-C 3.24Å; E33-R38 VanDerWaalsContact O-O 3.11Å; Y34-R38 CarbonylContact C-O 3.58Å; Y34-R38 WeakPolarHBondContact CA-O 3.48Å; S35-R38 PolarHBondContact O-N 2.76Å; R36-R38 PolarHBondContact O-N 2.84Å
39T93.3Very high93.4Very high44 Ų4466.1 Ų66.127%0.2733%0.328SS..  trans-144.1158.2171.154.50000109.6R20 F22 Y34 M120R20-T39 PolarHBondContact NH2-OG1 3.48Å; F22-T39 VanDerWaalsContact CE1-CB 3.45Å; F22-T39 HydrophobicContact CE1-CG2 4.15Å; F22-T39 HydrophobicContact CZ-CG2 3.77Å; Y34-T39 HydrophobicContact CD1-CG2 4.4Å; T39-M120 HydrophobicContact CG2-SD 4.12Å
40P94.2Very high93.4Very high6 Ų668.8 Ų68.84%0.03934%0.339CS..  trans-56.2157.5174.3-24.733.9000113.2F22 N29 E33 Y34F22-P40 HydrophobicContact CB-CB 4.43Å; F22-P40 HydrophobicContact CB-CG 4.41Å; F22-P40 HydrophobicContact CD1-CB 3.98Å; F22-P40 HydrophobicContact CD1-CG 4.17Å; F22-P40 HydrophobicContact CG-CB 4.5Å; F22-P40 HydrophobicContact CG-CG 4.37Å; N29-P40 HydrophobicContact CB-CB 4.37Å; N29-P40 HydrophobicContact CB-CG 3.71Å; E33-P40 HydrophobicContact CB-CG 4.09Å; Y34-P40 HydrophobicContact CE1-CG 4.01Å; Y34-P40 HydrophobicContact CE2-CG 4.14Å
41I90.5Very high93.4Very high167 Ų16765.2 Ų65.286%0.85632%0.32SS*.SBendtrans-69.7-38.2-171.5-62.2170.7000112.5E43I41-E43 PolarHBondContact O-N 2.81Å
42N92.7Very high93.6Very high100 Ų10063.4 Ų63.454%0.53531%0.309SS..  trans-84.857.3-172.1-66.1-28.9000112.2C23C23-N42 HydrophobicContact CB-CB 4.36Å; C23-N42 PolarHBondContact N-O 2.77Å; C23-N42 WeakPolarHBondContact O-CB 3.21Å; C23-N42 PolarHBondContact O-ND2 2.85Å; C23-N42 VanDerWaalsContact O-ND2 3.15Å
43E95.6Very high93.8Very high17 Ų1759.2 Ų59.28%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-74.1128.1176-171.1175.8164.800110.9R20 M21 F22 I41 Q45 R225R20-E43 IonicContact CZ-OE1 3.35Å; R20-E43 IonicContact CZ-OE2 2.7Å; R20-E43 IonicContact NE-OE1 3.35Å; R20-E43 PolarHBondContact NE-OE1 3.22Å; R20-E43 IonicContact NE-OE2 3.04Å; R20-E43 IonicContact NH2-OE1 3.53Å; R20-E43 PolarHBondContact NH2-OE1 3.22Å; R20-E43 IonicContact NH2-OE2 3.95Å; R20-E43 PolarHBondContact NH2-OE2 3.36Å; M21-E43 CarbonylContact O-C 3.58Å; M21-E43 WeakPolarHBondContact O-CA 3.25Å; F22-E43 HydrophobicContact CD1-CB 4.02Å; F22-E43 HydrophobicContact CD1-CG 4.31Å; F22-E43 HydrophobicContact CE1-CB 3.63Å; F22-E43 HydrophobicContact CE1-CG 3.65Å; F22-E43 HydrophobicContact CZ-CB 4.42Å; F22-E43 HydrophobicContact CZ-CG 3.93Å; I41-E43 PolarHBondContact O-N 2.81Å; E43-Q45 HydrophobicContact CG-CG 4.24Å; E43-Q45 PolarHBondContact OE1-NE2 3.2Å; E43-R225 IonicContact OE2-CZ 3.02Å; E43-R225 IonicContact OE2-NE 2.8Å; E43-R225 PolarHBondContact OE2-NE 3.37Å; E43-R225 IonicContact OE2-NH2 3.95Å
44L95.7Very high94Very high5 Ų555.4 Ų55.43%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-115122.6169.6174.663.5000108.3M21 V46 V61 V64 V228M21-L44 HydrophobicContact CB-CB 4.21Å; M21-L44 PolarHBondContact N-O 3.12Å; M21-L44 PolarHBondContact O-N 3.48Å; M21-L44 HydrophobicContact SD-CD2 4.39Å; L44-V46 HydrophobicContact CD2-CG2 4.24Å; L44-V46 HydrophobicContact CG-CG2 4Å; L44-V61 HydrophobicContact CD2-CG2 4.07Å; L44-V64 HydrophobicContact CD1-CG1 3.82Å; L44-V64 HydrophobicContact CD1-CG2 4.15Å; L44-V64 HydrophobicContact CD2-CG2 3.98Å; L44-V228 HydrophobicContact CD1-CG2 3.73Å
45Q96.4Very high94.2Very high27 Ų2762.7 Ų62.713%0.12630%0.298CS..EExtended strand (participates in β ladder)trans-102.6128.8177-68.5-172.4-6.200110.2L18 E43 R226 V228L18-Q45 HydrophobicContact CD1-CB 4.07Å; E43-Q45 HydrophobicContact CG-CG 4.24Å; E43-Q45 PolarHBondContact OE1-NE2 3.2Å; Q45-R226 PolarHBondContact N-O 3.48Å; Q45-V228 PolarHBondContact O-N 3Å
46V95.9Very high94.5Very high0 Ų063.9 Ų63.90%030%0.302CS..EExtended strand (participates in β ladder)trans-127.3128.8-175.4-179.70000109L19 M21 L44 T48 L60 Y230L19-V46 HydrophobicContact CB-CB 4.37Å; L19-V46 PolarHBondContact N-O 3.35Å; L19-V46 PolarHBondContact O-N 3.04Å; M21-V46 HydrophobicContact SD-CG2 3.87Å; L44-V46 HydrophobicContact CD2-CG2 4.24Å; L44-V46 HydrophobicContact CG-CG2 4Å; V46-T48 HydrophobicContact CG1-CG2 4.45Å; V46-L60 HydrophobicContact CB-CD1 4.37Å; V46-L60 HydrophobicContact CG1-CD1 3.4Å; V46-L60 HydrophobicContact CG2-CD1 4.02Å; V46-Y230 HydrophobicContact CG1-CE2 4.48Å
47Y97.1Very high95.1Very high111 Ų11152.5 Ų52.544%0.43526%0.259SS..EExtended strand (participates in β ladder)trans-84.3122.7164.5-68.3-60.6000108.7L17 L18 V227 Y230L17-Y47 CarbonylContact O-C 3.59Å; L17-Y47 WeakPolarHBondContact O-CA 3.29Å; L18-Y47 HydrophobicContact CB-CD1 4.49Å; L18-Y47 HydrophobicContact CB-CE1 4.31Å; L18-Y47 HydrophobicContact CD1-CD1 4.17Å; L18-Y47 HydrophobicContact CD1-CE1 3.82Å; Y47-V227 HydrophobicContact CE2-CG1 4.1Å; Y47-Y230 WeakPolarHBondContact O-CD2 3.46Å; Y47-Y230 WeakPolarHBondContact O-CE2 3.03Å
48T97Very high95.8Very high0 Ų048.7 Ų48.70%022%0.22CC..EExtended strand (participates in β ladder)trans-153.2-171.6-175.7-163.40000112P16 L17 L19 V46 A52 L110 Y230P16-T48 CarbonylContact C-O 3.43Å; P16-T48 VanDerWaalsContact CA-O 3.24Å; P16-T48 WeakPolarHBondContact CA-O 3.16Å; P16-T48 WeakPolarHBondContact CB-O 3.08Å; L17-T48 HydrophobicContact CD1-CG2 3.97Å; L17-T48 WeakPolarHBondContact CG-O 3.28Å; L17-T48 PolarHBondContact N-O 2.82Å; L17-T48 PolarHBondContact O-N 3.29Å; L19-T48 HydrophobicContact CB-CG2 3.91Å; L19-T48 HydrophobicContact CD2-CG2 4.1Å; V46-T48 HydrophobicContact CG1-CG2 4.45Å; T48-A52 HydrophobicContact CG2-CB 4.22Å; T48-A52 WeakPolarHBondContact OG1-CB 3.43Å; T48-L110 HydrophobicContact CG2-CD1 4.09Å; T48-Y230 PolarHBondContact OG1-OH 3.4Å
49W97.6Very high96Very high32 Ų3242 Ų4212%0.12120%0.202CC..  trans-125.1167.5178.1-63.6-94.4000110.7V9 R11 T14 P16 D51 A52 Y230V9-W49 HydrophobicContact CB-CB 4.38Å; V9-W49 HydrophobicContact CG1-CB 4.24Å; V9-W49 HydrophobicContact CG1-CG 4.19Å; R11-W49 HydrophobicContact CB-CD2 3.92Å; R11-W49 HydrophobicContact CB-CE3 4.18Å; R11-W49 HydrophobicContact CB-CH2 3.98Å; R11-W49 HydrophobicContact CB-CZ2 3.69Å; R11-W49 HydrophobicContact CB-CZ3 4.22Å; R11-W49 HydrophobicContact CG-CB 4.47Å; R11-W49 HydrophobicContact CG-CD2 3.52Å; R11-W49 HydrophobicContact CG-CE3 3.71Å; R11-W49 HydrophobicContact CG-CG 3.88Å; R11-W49 HydrophobicContact CG-CH2 4.41Å; R11-W49 HydrophobicContact CG-CZ2 4.26Å; R11-W49 HydrophobicContact CG-CZ3 4.16Å; R11-W49 VanDerWaalsContact O-CZ2 3.27Å; R11-W49 WeakPolarHBondContact O-CZ2 3.5Å; T14-W49 PolarHBondContact O-NE1 2.97Å; P16-W49 HydrophobicContact CB-CD2 4.4Å; P16-W49 HydrophobicContact CB-CH2 4.44Å; P16-W49 HydrophobicContact CB-CZ2 3.98Å; P16-W49 HydrophobicContact CG-CZ2 4.41Å; W49-D51 WeakPolarHBondContact CB-OD1 3.29Å; W49-D51 PolarHBondContact O-N 2.9Å; W49-A52 WeakPolarHBondContact O-CB 3.42Å; W49-A52 PolarHBondContact O-N 2.95Å; W49-Y230 HydrophobicContact CE3-CE2 4.45Å; W49-Y230 HydrophobicContact CZ3-CD1 4.39Å; W49-Y230 AromaticContact CZ3-CD2 4Å; W49-Y230 HydrophobicContact CZ3-CD2 4Å; W49-Y230 HydrophobicContact CZ3-CE1 4.4Å; W49-Y230 HydrophobicContact CZ3-CE2 4.02Å; W49-Y230 HydrophobicContact CZ3-CG 4.16Å
50F96.1Very high96.2Very high78 Ų7840.3 Ų40.334%0.34219%0.191SC..THydrogen-bonded Turntrans-64.8-18.9-179.8-80.1-78.1000114.3L17 A52 L110 K111 F115 I117L17-F50 HydrophobicContact CD2-CD1 4.23Å; L17-F50 HydrophobicContact CD2-CD2 3.74Å; L17-F50 HydrophobicContact CD2-CE1 4.1Å; L17-F50 HydrophobicContact CD2-CE2 3.58Å; L17-F50 HydrophobicContact CD2-CG 4.07Å; L17-F50 HydrophobicContact CD2-CZ 3.79Å; F50-A52 VanDerWaalsContact C-N 3.27Å; F50-L110 PolarHBondContact O-N 3.01Å; F50-K111 HydrophobicContact CB-CB 4.24Å; F50-K111 WeakPolarHBondContact O-CG 3.31Å; F50-K111 PolarHBondContact O-N 3.33Å; F50-F115 HydrophobicContact CD1-CD1 4.11Å; F50-F115 AromaticContact CE1-CD1 3.73Å; F50-F115 HydrophobicContact CE1-CD1 3.73Å; F50-F115 HydrophobicContact CE1-CE1 4.25Å; F50-I117 HydrophobicContact CE2-CD1 4.45Å; F50-I117 HydrophobicContact CZ-CD1 4.22Å; F50-I117 HydrophobicContact CZ-CG1 3.92Å
51D96.1Very high96.3Very high14 Ų1440 Ų408%0.07519%0.189CC..THydrogen-bonded Turntrans-86.45.8174.669.7-5.1000113.5V9 R11 W49 T53 M109V9-D51 HydrophobicContact CB-CB 4.37Å; V9-D51 WeakPolarHBondContact CB-OD2 3.26Å; V9-D51 HydrophobicContact CG2-CB 4.05Å; V9-D51 PolarHBondContact N-OD2 2.9Å; R11-D51 IonicContact CZ-OD1 3.65Å; R11-D51 IonicContact NE-OD1 2.72Å; R11-D51 PolarHBondContact NE-OD1 2.99Å; R11-D51 IonicContact NE-OD2 3.01Å; R11-D51 IonicContact NH2-OD1 3.77Å; R11-D51 PolarHBondContact NH2-OD1 2.78Å; W49-D51 WeakPolarHBondContact CB-OD1 3.29Å; W49-D51 PolarHBondContact O-N 2.9Å; D51-T53 PolarHBondContact O-N 2.88Å; D51-M109 HydrophobicContact CB-SD 3.96Å
52A97.3Very high96.5Very high0 Ų034 Ų340%016%0.157CC..  trans-64.9131.8178.200000111.4T48 W49 F50 E56 M109 L110T48-A52 HydrophobicContact CG2-CB 4.22Å; T48-A52 WeakPolarHBondContact OG1-CB 3.43Å; W49-A52 WeakPolarHBondContact O-CB 3.42Å; W49-A52 PolarHBondContact O-N 2.95Å; F50-A52 VanDerWaalsContact C-N 3.27Å; A52-E56 VanDerWaalsContact CA-OE2 3.31Å; A52-E56 WeakPolarHBondContact CA-OE2 3.21Å; A52-M109 CarbonylContact O-C 3.47Å; A52-M109 VanDerWaalsContact O-CA 3.27Å; A52-M109 WeakPolarHBondContact O-CA 3.32Å; A52-L110 HydrophobicContact CB-CD1 4.05Å; A52-L110 HydrophobicContact CB-CG 4.39Å; A52-L110 PolarHBondContact O-N 3.08Å
53T97.6Very high96.5Very high30 Ų3033.9 Ų33.918%0.18415%0.153CC..BIsolated β-bridgetrans-94.3156.5-174.861.40000112.5D51 R55 E56 L57 D106 I108 M109D51-T53 PolarHBondContact O-N 2.88Å; T53-R55 PolarHBondContact O-N 2.87Å; T53-E56 PolarHBondContact N-OE2 3.15Å; T53-E56 WeakPolarHBondContact O-CB 3.27Å; T53-E56 PolarHBondContact O-N 2.83Å; T53-E56 VanDerWaalsContact OG1-CB 3.31Å; T53-E56 WeakPolarHBondContact OG1-CB 3.45Å; T53-E56 PolarHBondContact OG1-N 2.88Å; T53-L57 WeakPolarHBondContact O-CG 3.21Å; T53-L57 PolarHBondContact O-N 2.83Å; T53-D106 WeakPolarHBondContact CB-O 3.47Å; T53-I108 CarbonylContact C-O 3.54Å; T53-I108 VanDerWaalsContact CA-O 3.29Å; T53-I108 WeakPolarHBondContact CA-O 3.41Å; T53-M109 HydrophobicContact CG2-CE 4.36Å; T53-M109 HydrophobicContact CG2-CG 3.93Å
54L98Very high96.3Very high3 Ų334.2 Ų34.22%0.01616%0.156CC..Hα-helixtrans-58.1-33.8173.6-63-173.7000112.6L57 A58 F77 L94 V97 T105 I108L54-L57 HydrophobicContact CD2-CD1 4.36Å; L54-L57 PolarHBondContact O-N 3.36Å; L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 3.44Å; L54-F77 HydrophobicContact CB-CD2 4.29Å; L54-F77 HydrophobicContact CB-CE2 4.27Å; L54-F77 HydrophobicContact CD1-CB 4.38Å; L54-F77 HydrophobicContact CD1-CD2 4.32Å; L54-F77 HydrophobicContact CD1-CG 4.47Å; L54-F77 HydrophobicContact CD2-CB 4.06Å; L54-F77 HydrophobicContact CD2-CD1 4.01Å; L54-F77 HydrophobicContact CD2-CD2 4.23Å; L54-F77 HydrophobicContact CD2-CG 3.85Å; L54-L94 HydrophobicContact CD1-CB 4.33Å; L54-L94 HydrophobicContact CD2-CD1 4.42Å; L54-V97 HydrophobicContact CB-CG2 3.71Å; L54-T105 HydrophobicContact CD1-CG2 3.7Å; L54-I108 HydrophobicContact CD1-CB 4.04Å; L54-I108 HydrophobicContact CD1-CD1 4.42Å; L54-I108 HydrophobicContact CD1-CG2 4.33Å; L54-I108 HydrophobicContact CG-CB 4.15Å; L54-I108 HydrophobicContact CG-CG2 4.44Å; L54-I108 PolarHBondContact N-O 2.9Å
55R97.5Very high96.1Very high154 Ų15436.4 Ų36.458%0.58117%0.168SC*.Hα-helixtrans-64.4-39.5174178.2173.3178.4-97.40.2112.7T53 S59 D106T53-R55 PolarHBondContact O-N 2.87Å; R55-S59 WeakPolarHBondContact O-CB 3.46Å; R55-S59 PolarHBondContact O-N 3.32Å; R55-S59 PolarHBondContact O-OG 2.89Å; R55-D106 HydrophobicContact CB-CB 3.91Å; R55-D106 WeakPolarHBondContact CB-O 3.48Å; R55-D106 PolarHBondContact N-O 3.33Å
56E97.4Very high95.8Very high42 Ų4238.4 Ų38.420%0.19618%0.184CC..Hα-helixtrans-65.8-47.1176.5-173170.3-15700110.6R11 A52 T53 A58 S59 L60 Y230R11-E56 IonicContact CZ-OE1 3.43Å; R11-E56 IonicContact CZ-OE2 3.33Å; R11-E56 IonicContact NH1-OE1 3.53Å; R11-E56 PolarHBondContact NH1-OE1 2.79Å; R11-E56 IonicContact NH1-OE2 3.67Å; R11-E56 IonicContact NH2-OE1 2.84Å; R11-E56 PolarHBondContact NH2-OE1 2.88Å; R11-E56 IonicContact NH2-OE2 2.83Å; R11-E56 PolarHBondContact NH2-OE2 3.05Å; A52-E56 VanDerWaalsContact CA-OE2 3.31Å; A52-E56 WeakPolarHBondContact CA-OE2 3.21Å; T53-E56 PolarHBondContact N-OE2 3.15Å; T53-E56 WeakPolarHBondContact O-CB 3.27Å; T53-E56 PolarHBondContact O-N 2.83Å; T53-E56 VanDerWaalsContact OG1-CB 3.31Å; T53-E56 WeakPolarHBondContact OG1-CB 3.45Å; T53-E56 PolarHBondContact OG1-N 2.88Å; E56-A58 PolarHBondContact O-N 3.4Å; E56-S59 WeakPolarHBondContact O-CB 3.42Å; E56-S59 PolarHBondContact O-N 2.99Å; E56-S59 VanDerWaalsContact O-N 3.08Å; E56-L60 PolarHBondContact O-N 2.81Å; E56-L60 VanDerWaalsContact O-N 3.1Å; E56-Y230 WeakPolarHBondContact CG-OH 3.16Å; E56-Y230 WeakPolarHBondContact OE1-CE1 3.15Å; E56-Y230 PolarHBondContact OE1-OH 2.79Å; E56-Y230 PolarHBondContact OE2-OH 3.43Å
57L97.7Very high95.5Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-60-44174.5-60.5-173.5000112.2L19 M21 T53 L54 S59 L60 V61 F77 L110L19-L57 HydrophobicContact CD2-CD1 4.09Å; L19-L57 HydrophobicContact CD2-CD2 3.72Å; M21-L57 HydrophobicContact CE-CB 3.95Å; M21-L57 HydrophobicContact SD-CB 4.32Å; M21-L57 HydrophobicContact SD-CD2 4.08Å; T53-L57 WeakPolarHBondContact O-CG 3.21Å; T53-L57 PolarHBondContact O-N 2.83Å; L54-L57 HydrophobicContact CD2-CD1 4.36Å; L54-L57 PolarHBondContact O-N 3.36Å; L57-S59 VanDerWaalsContact C-N 3.25Å; L57-S59 PolarHBondContact O-N 3.36Å; L57-L60 HydrophobicContact CD2-CD1 4.38Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 2.98Å; L57-L60 VanDerWaalsContact O-N 3.16Å; L57-V61 WeakPolarHBondContact O-CG2 3.3Å; L57-V61 PolarHBondContact O-N 2.82Å; L57-F77 HydrophobicContact CB-CE1 3.82Å; L57-F77 HydrophobicContact CB-CZ 4.14Å; L57-F77 HydrophobicContact CD1-CE1 4.42Å; L57-L110 HydrophobicContact CD1-CD2 4.17Å
58A97.3Very high95.3Very high0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-61-35.8175.300000112L54 E56 L60 V61 K62 F75 F77 V97L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 3.44Å; E56-A58 PolarHBondContact O-N 3.4Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-V61 PolarHBondContact O-N 2.76Å; A58-K62 VanDerWaalsContact O-CG 3.3Å; A58-K62 WeakPolarHBondContact O-CG 3.28Å; A58-K62 PolarHBondContact O-N 2.93Å; A58-F75 HydrophobicContact CB-CB 4.45Å; A58-F75 HydrophobicContact CB-CD2 4.32Å; A58-F75 HydrophobicContact CB-CG 4.19Å; A58-F77 HydrophobicContact CB-CE2 4.22Å; A58-F77 HydrophobicContact CB-CZ 3.91Å; A58-V97 HydrophobicContact CB-CB 4.34Å; A58-V97 HydrophobicContact CB-CG1 4.01Å
59S96.2Very high95.2Very high51 Ų5146.6 Ų46.636%0.35722%0.219SC..Hα-helixtrans-66.9-36.2177.3-59.50000111.8R55 E56 L57 K62 Q63R55-S59 WeakPolarHBondContact O-CB 3.46Å; R55-S59 PolarHBondContact O-N 3.32Å; R55-S59 PolarHBondContact O-OG 2.89Å; E56-S59 WeakPolarHBondContact O-CB 3.42Å; E56-S59 PolarHBondContact O-N 2.99Å; E56-S59 VanDerWaalsContact O-N 3.08Å; L57-S59 VanDerWaalsContact C-N 3.25Å; L57-S59 PolarHBondContact O-N 3.36Å; S59-K62 WeakPolarHBondContact O-CB 3.48Å; S59-K62 PolarHBondContact O-N 3.25Å; S59-Q63 WeakPolarHBondContact O-CG 3.42Å; S59-Q63 PolarHBondContact O-N 3.46Å
60L96.1Very high95Very high9 Ų951.2 Ų51.25%0.04724%0.236CC..Hα-helixtrans-67.7-42.8173.8-64.1169000111.8V46 E56 L57 A58 K62 Q63 V64 V228V46-L60 HydrophobicContact CB-CD1 4.37Å; V46-L60 HydrophobicContact CG1-CD1 3.4Å; V46-L60 HydrophobicContact CG2-CD1 4.02Å; E56-L60 PolarHBondContact O-N 2.81Å; E56-L60 VanDerWaalsContact O-N 3.1Å; L57-L60 HydrophobicContact CD2-CD1 4.38Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 2.98Å; L57-L60 VanDerWaalsContact O-N 3.16Å; A58-L60 VanDerWaalsContact C-N 3.34Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 2.79Å; L60-Q63 WeakPolarHBondContact O-CB 3.45Å; L60-Q63 PolarHBondContact O-N 2.95Å; L60-V64 PolarHBondContact O-N 3.1Å; L60-V228 HydrophobicContact CD2-CG1 3.84Å
61V95.9Very high95Very high0 Ų057.2 Ų57.20%026%0.257CS..Hα-helixtrans-58.5-40.6174.8176.70000111.2M21 L44 L57 A58 Q63 V64 N65 F75 I125M21-V61 HydrophobicContact CE-CG2 3.66Å; L44-V61 HydrophobicContact CD2-CG2 4.07Å; L57-V61 WeakPolarHBondContact O-CG2 3.3Å; L57-V61 PolarHBondContact O-N 2.82Å; A58-V61 PolarHBondContact O-N 2.76Å; V61-Q63 PolarHBondContact O-N 3.25Å; V61-V64 VanDerWaalsContact O-CG2 3.23Å; V61-V64 WeakPolarHBondContact O-CG2 3.49Å; V61-V64 PolarHBondContact O-N 3.35Å; V61-V64 VanDerWaalsContact O-N 3.17Å; V61-N65 PolarHBondContact O-N 2.82Å; V61-F75 HydrophobicContact CB-CD1 4.44Å; V61-F75 HydrophobicContact CB-CE1 4.19Å; V61-F75 HydrophobicContact CG1-CD1 4.11Å; V61-F75 HydrophobicContact CG1-CE1 3.76Å; V61-I125 HydrophobicContact CG1-CD1 3.56Å; V61-I125 HydrophobicContact CG1-CG1 4.41Å
62K95.2Very high94.9Very high40 Ų4057.8 Ų57.817%0.17427%0.266CS..Hα-helixtrans-62-27.9176.3-75.2171.5-165.3-178.50114.1A58 S59 L60 R69 F75 S99A58-K62 VanDerWaalsContact O-CG 3.3Å; A58-K62 WeakPolarHBondContact O-CG 3.28Å; A58-K62 PolarHBondContact O-N 2.93Å; S59-K62 WeakPolarHBondContact O-CB 3.48Å; S59-K62 PolarHBondContact O-N 3.25Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 2.79Å; K62-R69 HydrophobicContact CB-CG 3.93Å; K62-R69 HydrophobicContact CG-CG 4.2Å; K62-F75 HydrophobicContact CD-CE2 4.5Å; K62-F75 HydrophobicContact CD-CZ 4.19Å; K62-F75 VanDerWaalsContact CE-CZ 3.41Å; K62-F75 HydrophobicContact CG-CE1 4.3Å; K62-F75 HydrophobicContact CG-CE2 4.42Å; K62-F75 HydrophobicContact CG-CZ 3.65Å; K62-S99 WeakPolarHBondContact CE-OG 3.49Å; K62-S99 PolarHBondContact NZ-OG 3.09Å
63Q93.7Very high94.9Very high98 Ų9857.9 Ų57.946%0.45827%0.267SS..Hα-helixtrans-72-36.6176.4-64.3-17846.600111.5S59 L60 V61S59-Q63 WeakPolarHBondContact O-CG 3.42Å; S59-Q63 PolarHBondContact O-N 3.46Å; L60-Q63 WeakPolarHBondContact O-CB 3.45Å; L60-Q63 PolarHBondContact O-N 2.95Å; V61-Q63 PolarHBondContact O-N 3.25Å
64V91.5Very high94.9Very high24 Ų2459.9 Ų59.915%0.14528%0.276CS..Hα-helixtrans-90.5-23.4-178.5-60.40000113.6L44 L60 V61 R226 V228L44-V64 HydrophobicContact CD1-CG1 3.82Å; L44-V64 HydrophobicContact CD1-CG2 4.15Å; L44-V64 HydrophobicContact CD2-CG2 3.98Å; L60-V64 PolarHBondContact O-N 3.1Å; V61-V64 VanDerWaalsContact O-CG2 3.23Å; V61-V64 WeakPolarHBondContact O-CG2 3.49Å; V61-V64 PolarHBondContact O-N 3.35Å; V61-V64 VanDerWaalsContact O-N 3.17Å; V64-R226 PolarHBondContact O-NH1 3.17Å; V64-V228 HydrophobicContact CG1-CG2 3.44Å; V64-V228 VanDerWaalsContact CG1-CG2 3.44Å
65N90.3Very high94.9Very high51 Ų5159.7 Ų59.727%0.27328%0.275SS..  trans-123.187.5176.5-173.5-3.5000110.5V61 E67 S68V61-N65 PolarHBondContact O-N 2.82Å; N65-E67 PolarHBondContact O-N 2.87Å; N65-E67 VanDerWaalsContact O-N 3.13Å; N65-E67 PolarHBondContact OD1-N 3.4Å; N65-S68 WeakPolarHBondContact O-CB 3.44Å; N65-S68 PolarHBondContact O-N 3.16Å; N65-S68 PolarHBondContact O-OG 2.8Å
66P91.1Very high94.9Very high70 Ų7054.2 Ų54.246%0.45526%0.257SS..G310 helixtrans-57.3-29.6-176.5-27.535.7000114.5S68 R69P66-S68 PolarHBondContact O-N 3.17Å; P66-R69 WeakPolarHBondContact O-CB 3.47Å; P66-R69 WeakPolarHBondContact O-CG 3.27Å; P66-R69 PolarHBondContact O-N 3.16Å; P66-R69 PolarHBondContact O-NE 3.06Å
67E89.9Confident94.9Very high116 Ų11652.2 Ų52.254%0.54225%0.248SC..G310 helixtrans-64.7-27.3178.6-65.5-61.916300112.5N65 R69 R70N65-E67 PolarHBondContact O-N 2.87Å; N65-E67 VanDerWaalsContact O-N 3.13Å; N65-E67 PolarHBondContact OD1-N 3.4Å; E67-R69 PolarHBondContact O-N 3.45Å; E67-R70 WeakPolarHBondContact O-CG 3.29Å; E67-R70 IonicContact OE2-CZ 2.82Å; E67-R70 IonicContact OE2-NE 3.73Å; E67-R70 PolarHBondContact OE2-NE 3.02Å; E67-R70 IonicContact OE2-NH2 3.72Å; E67-R70 PolarHBondContact OE2-NH2 3.03Å
68S92.7Very high95Very high2 Ų252.2 Ų52.21%0.01425%0.248CC..G310 helixtrans-75.7-5.7178.574.50000113.8N65 P66 R70 T73 F75N65-S68 WeakPolarHBondContact O-CB 3.44Å; N65-S68 PolarHBondContact O-N 3.16Å; N65-S68 PolarHBondContact O-OG 2.8Å; P66-S68 PolarHBondContact O-N 3.17Å; S68-R70 VanDerWaalsContact C-N 3.27Å; S68-R70 PolarHBondContact O-N 2.85Å; S68-T73 WeakPolarHBondContact O-CB 3.45Å; S68-T73 PolarHBondContact O-OG1 2.89Å; S68-F75 WeakPolarHBondContact O-CZ 3.33Å
69R94Very high95Very high165 Ų16552.4 Ų52.462%0.62325%0.249SC*.G310 helixtrans-72-20.6177.7-67.4-171.2-65.2173.8-2.5113.2K62 P66 E67 R71 S99K62-R69 HydrophobicContact CB-CG 3.93Å; K62-R69 HydrophobicContact CG-CG 4.2Å; P66-R69 WeakPolarHBondContact O-CB 3.47Å; P66-R69 WeakPolarHBondContact O-CG 3.27Å; P66-R69 PolarHBondContact O-N 3.16Å; P66-R69 PolarHBondContact O-NE 3.06Å; E67-R69 PolarHBondContact O-N 3.45Å; R69-R71 PolarHBondContact O-N 3.28Å; R69-S99 PolarHBondContact O-OG 3.43Å
70R94.1Very high95.1Very high128 Ų12850 Ų5048%0.48323%0.232SC..SBendtrans-52.3132.8-178.3-64176.6-170.4-154.52.3110.4E67 S68 G72 T73 S99 P128E67-R70 WeakPolarHBondContact O-CG 3.29Å; E67-R70 IonicContact OE2-CZ 2.82Å; E67-R70 IonicContact OE2-NE 3.73Å; E67-R70 PolarHBondContact OE2-NE 3.02Å; E67-R70 IonicContact OE2-NH2 3.72Å; E67-R70 PolarHBondContact OE2-NH2 3.03Å; S68-R70 VanDerWaalsContact C-N 3.27Å; S68-R70 PolarHBondContact O-N 2.85Å; R70-G72 PolarHBondContact O-N 3.27Å; R70-T73 WeakPolarHBondContact O-CB 3.43Å; R70-T73 PolarHBondContact O-N 2.64Å; R70-T73 VanDerWaalsContact O-N 3.09Å; R70-T73 PolarHBondContact O-OG1 3.2Å; R70-S99 WeakPolarHBondContact O-CB 3.3Å; R70-P128 HydrophobicContact CB-CG 4.08Å
71R94.6Very high95.1Very high204 Ų20451.9 Ų51.977%0.7724%0.24SC*.THydrogen-bonded Turntrans-59.1135177.1-172.8177-176.6-160.6-1.3109.5R69 S99 P128R69-R71 PolarHBondContact O-N 3.28Å; R71-S99 CarbonylContact C-O 3.58Å; R71-S99 WeakPolarHBondContact CA-O 3.44Å; R71-P128 WeakPolarHBondContact O-CB 3.4Å; R71-P128 WeakPolarHBondContact O-CG 3.48Å
72G95Very high95Very high27 Ų2754.4 Ų54.428%0.27826%0.256SS..THydrogen-bonded Turntrans86.8-0.7-174.500000115R70 L74 S99R70-G72 PolarHBondContact O-N 3.27Å; G72-L74 PolarHBondContact O-N 3.4Å; G72-S99 PolarHBondContact N-O 3.04Å
73T96.7Very high94.8Very high1 Ų153.5 Ų53.51%0.00625%0.253CS..  trans-65.6127.9169.5-55.10000109.5S68 R70 F75 S99 I125 T126 P128S68-T73 WeakPolarHBondContact O-CB 3.45Å; S68-T73 PolarHBondContact O-OG1 2.89Å; R70-T73 WeakPolarHBondContact O-CB 3.43Å; R70-T73 PolarHBondContact O-N 2.64Å; R70-T73 VanDerWaalsContact O-N 3.09Å; R70-T73 PolarHBondContact O-OG1 3.2Å; T73-F75 HydrophobicContact CG2-CE2 3.96Å; T73-F75 HydrophobicContact CG2-CZ 4.03Å; T73-S99 PolarHBondContact O-N 3.34Å; T73-I125 HydrophobicContact CG2-CG2 3.63Å; T73-T126 CarbonylContact C-O 3.57Å; T73-T126 WeakPolarHBondContact CA-O 3.24Å; T73-P128 WeakPolarHBondContact OG1-CD 3.45Å
74L97.5Very high94.5Very high72 Ų7257.7 Ų57.738%0.37727%0.272SS..EExtended strand (participates in β ladder)trans-94.4135.9175.9-57176.2000110.1G72 T96 C98 I125 T126G72-L74 PolarHBondContact O-N 3.4Å; L74-T96 HydrophobicContact CB-CG2 3.85Å; L74-T96 HydrophobicContact CD2-CG2 4.16Å; L74-T96 HydrophobicContact CG-CG2 4.46Å; L74-C98 HydrophobicContact CD2-CB 3.81Å; L74-I125 WeakPolarHBondContact O-CA 3.19Å; L74-T126 PolarHBondContact N-O 2.85Å; L74-T126 PolarHBondContact O-N 3.3Å
75F98Very high94.5Very high0 Ų067.7 Ų67.70%031%0.308CS..EExtended strand (participates in β ladder)trans-116.299.9172.9-60.1-96.1000107.2A58 V61 K62 S68 T73 F77 T96 V97 V123 I125A58-F75 HydrophobicContact CB-CB 4.45Å; A58-F75 HydrophobicContact CB-CD2 4.32Å; A58-F75 HydrophobicContact CB-CG 4.19Å; V61-F75 HydrophobicContact CB-CD1 4.44Å; V61-F75 HydrophobicContact CB-CE1 4.19Å; V61-F75 HydrophobicContact CG1-CD1 4.11Å; V61-F75 HydrophobicContact CG1-CE1 3.76Å; K62-F75 HydrophobicContact CD-CE2 4.5Å; K62-F75 HydrophobicContact CD-CZ 4.19Å; K62-F75 VanDerWaalsContact CE-CZ 3.41Å; K62-F75 HydrophobicContact CG-CE1 4.3Å; K62-F75 HydrophobicContact CG-CE2 4.42Å; K62-F75 HydrophobicContact CG-CZ 3.65Å; S68-F75 WeakPolarHBondContact O-CZ 3.33Å; T73-F75 HydrophobicContact CG2-CE2 3.96Å; T73-F75 HydrophobicContact CG2-CZ 4.03Å; F75-F77 HydrophobicContact CB-CD2 4.38Å; F75-F77 HydrophobicContact CB-CE2 3.64Å; F75-F77 HydrophobicContact CB-CZ 4.15Å; F75-F77 VanDerWaalsContact O-CD2 3.28Å; F75-F77 WeakPolarHBondContact O-CD2 3.44Å; F75-F77 WeakPolarHBondContact O-CE2 3.49Å; F75-T96 CarbonylContact O-C 3.57Å; F75-T96 VanDerWaalsContact O-CA 3.3Å; F75-T96 WeakPolarHBondContact O-CA 3.18Å; F75-V97 HydrophobicContact CB-CB 4.43Å; F75-V97 PolarHBondContact N-O 3.13Å; F75-V97 PolarHBondContact O-N 2.8Å; F75-V123 HydrophobicContact CB-CG1 4.2Å; F75-V123 HydrophobicContact CD1-CG1 4.28Å; F75-I125 HydrophobicContact CD1-CG1 4.08Å; F75-I125 HydrophobicContact CE1-CD1 4.43Å; F75-I125 HydrophobicContact CE1-CG1 4.3Å; F75-I125 HydrophobicContact CE1-CG2 4.32Å
76D98Very high94.4Very high39 Ų3967.2 Ų67.221%0.20931%0.308CS..EExtended strand (participates in β ladder)trans-90.4122.3178.5-163.324.4000109.6H28 T96 V123 A124H28-D76 IonicContact CD2-OD2 3.36Å; H28-D76 PolarHBondContact CE1-O 3.03Å; H28-D76 IonicContact NE2-OD2 3.7Å; H28-D76 PolarHBondContact NE2-OD2 2.94Å; D76-T96 HydrophobicContact CB-CG2 4.42Å; D76-T96 PolarHBondContact OD1-OG1 2.72Å; D76-V123 CarbonylContact O-C 3.24Å; D76-V123 VanDerWaalsContact O-CA 3.27Å; D76-V123 WeakPolarHBondContact O-CA 3.39Å; D76-A124 HydrophobicContact CB-CB 4.18Å; D76-A124 PolarHBondContact N-O 3.05Å; D76-A124 PolarHBondContact O-N 2.79Å
77F98.4Very high94.2Very high0 Ų070 Ų700%033%0.327CS..EExtended strand (participates in β ladder)trans-105.2135.4-173.6-70.4-92.7000111M21 L54 L57 A58 F75 L94 G95 V97 I121 V123M21-F77 HydrophobicContact CE-CE1 3.99Å; L54-F77 HydrophobicContact CB-CD2 4.29Å; L54-F77 HydrophobicContact CB-CE2 4.27Å; L54-F77 HydrophobicContact CD1-CB 4.38Å; L54-F77 HydrophobicContact CD1-CD2 4.32Å; L54-F77 HydrophobicContact CD1-CG 4.47Å; L54-F77 HydrophobicContact CD2-CB 4.06Å; L54-F77 HydrophobicContact CD2-CD1 4.01Å; L54-F77 HydrophobicContact CD2-CD2 4.23Å; L54-F77 HydrophobicContact CD2-CG 3.85Å; L57-F77 HydrophobicContact CB-CE1 3.82Å; L57-F77 HydrophobicContact CB-CZ 4.14Å; L57-F77 HydrophobicContact CD1-CE1 4.42Å; A58-F77 HydrophobicContact CB-CE2 4.22Å; A58-F77 HydrophobicContact CB-CZ 3.91Å; F75-F77 HydrophobicContact CB-CD2 4.38Å; F75-F77 HydrophobicContact CB-CE2 3.64Å; F75-F77 HydrophobicContact CB-CZ 4.15Å; F75-F77 VanDerWaalsContact O-CD2 3.28Å; F75-F77 WeakPolarHBondContact O-CD2 3.44Å; F75-F77 WeakPolarHBondContact O-CE2 3.49Å; F77-L94 HydrophobicContact CB-CB 4.15Å; F77-L94 WeakPolarHBondContact O-CB 3.33Å; F77-L94 PolarHBondContact O-N 2.83Å; F77-G95 WeakPolarHBondContact CB-O 3.4Å; F77-G95 PolarHBondContact N-O 3.24Å; F77-G95 PolarHBondContact O-N 3.45Å; F77-V97 HydrophobicContact CD2-CG2 4.31Å; F77-V97 HydrophobicContact CE2-CB 4.1Å; F77-V97 HydrophobicContact CE2-CG2 3.87Å; F77-I121 HydrophobicContact CD1-CG2 3.85Å; F77-V123 HydrophobicContact CD1-CG1 4.36Å; F77-V123 HydrophobicContact CD1-CG2 3.65Å; F77-V123 HydrophobicContact CE1-CG1 4.11Å; F77-V123 HydrophobicContact CE1-CG2 3.6Å; F77-V123 HydrophobicContact CZ-CG1 4.26Å
78A98.4Very high94.2Very high0 Ų067.3 Ų67.30%032%0.318CS..EExtended strand (participates in β ladder)trans-135.2140.8172.300000111.7H28 M91 R92 I121 D122H28-A78 VanDerWaalsContact CE1-CB 3.48Å; H28-A78 WeakPolarHBondContact CE1-CB 3.23Å; A78-M91 HydrophobicContact CB-CG 3.5Å; A78-M91 HydrophobicContact CB-SD 3.9Å; A78-R92 CarbonylContact C-O 3.52Å; A78-R92 VanDerWaalsContact CA-O 3.28Å; A78-R92 WeakPolarHBondContact CA-O 3.4Å; A78-I121 CarbonylContact O-C 3.35Å; A78-I121 WeakPolarHBondContact O-CA 3.24Å; A78-D122 PolarHBondContact N-O 3.35Å; A78-D122 PolarHBondContact O-N 2.93Å
79L98.2Very high94.3Very high3 Ų370.1 Ų70.12%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-82.3127.4170.8-175.171.7000109.5F81 M91 R92 L94 F115 D119 I121L79-F81 HydrophobicContact CD2-CD1 4.01Å; L79-F81 HydrophobicContact CG-CD1 4.04Å; L79-M91 CarbonylContact O-C 3.56Å; L79-M91 VanDerWaalsContact O-CA 3.28Å; L79-M91 WeakPolarHBondContact O-CA 3.33Å; L79-R92 VanDerWaalsContact CD2-NH2 3.28Å; L79-R92 PolarHBondContact N-O 3.39Å; L79-R92 PolarHBondContact O-N 3.11Å; L79-L94 HydrophobicContact CB-CD1 4.22Å; L79-L94 HydrophobicContact CB-CD2 3.88Å; L79-L94 HydrophobicContact CB-CG 4.2Å; L79-F115 HydrophobicContact CD1-CD2 3.67Å; L79-F115 HydrophobicContact CD1-CE2 4.45Å; L79-D119 HydrophobicContact CD1-CB 3.77Å; L79-I121 HydrophobicContact CD1-CD1 3.79Å
80V97.3Very high94.4Very high0 Ų068.3 Ų68.30%032%0.322CS..EExtended strand (participates in β ladder)trans-111.4117.3174.7-178.70000108.7Y34 Y89 R90 M91 M120 D122Y34-V80 HydrophobicContact CD1-CG1 3.92Å; Y34-V80 HydrophobicContact CD2-CG1 3.95Å; Y34-V80 HydrophobicContact CE1-CG1 4.12Å; Y34-V80 HydrophobicContact CE2-CG1 4.17Å; Y34-V80 HydrophobicContact CE2-CG2 4.23Å; Y34-V80 HydrophobicContact CG-CG1 3.81Å; V80-Y89 HydrophobicContact CG1-CD1 3.81Å; V80-Y89 HydrophobicContact CG1-CG 4.31Å; V80-R90 VanDerWaalsContact CA-O 3.31Å; V80-R90 WeakPolarHBondContact CA-O 3.32Å; V80-M91 HydrophobicContact CG2-CE 3.55Å; V80-M91 HydrophobicContact CG2-CG 4.26Å; V80-M120 HydrophobicContact CB-CB 4.16Å; V80-M120 HydrophobicContact CG1-CE 4.01Å; V80-M120 PolarHBondContact N-O 3.06Å; V80-M120 PolarHBondContact O-N 3.34Å; V80-D122 HydrophobicContact CG2-CB 3.86Å
81F96Very high94.5Very high50 Ų5064.7 Ų64.722%0.21931%0.311CS..EExtended strand (participates in β ladder)trans-137.2149.5-173.259-84.1000110.6L79 Y89 R90 R92 D119L79-F81 HydrophobicContact CD2-CD1 4.01Å; L79-F81 HydrophobicContact CG-CD1 4.04Å; F81-Y89 CarbonylContact O-C 3.57Å; F81-Y89 WeakPolarHBondContact O-CA 3.48Å; F81-R90 HydrophobicContact CD2-CB 4.45Å; F81-R90 HydrophobicContact CE1-CB 4.11Å; F81-R90 HydrophobicContact CE2-CB 3.89Å; F81-R90 HydrophobicContact CZ-CB 3.69Å; F81-R90 PolarHBondContact N-O 3.15Å; F81-R90 PolarHBondContact O-N 3.47Å; F81-R92 HydrophobicContact CE1-CB 3.89Å; F81-D119 WeakPolarHBondContact CB-OD1 3.34Å
82P94.1Very high94.6Very high52 Ų5259.2 Ų59.234%0.33829%0.29SS..EExtended strand (participates in β ladder)trans-69.6138.9176.929.2-34000110.9Y89P82-Y89 HydrophobicContact CB-CD1 4.45Å; P82-Y89 HydrophobicContact CB-CE1 4.1Å
83D91.7Very high94.7Very high22 Ų2264.9 Ų64.912%0.11831%0.31CS..  trans-74.8127169.8-177.12.1000110R85 S86 V88 R90D83-R85 PolarHBondContact O-N 3.47Å; D83-R85 PolarHBondContact OD1-N 3.09Å; D83-S86 WeakPolarHBondContact CB-OG 3.36Å; D83-S86 PolarHBondContact OD2-OG 3.4Å; D83-V88 WeakPolarHBondContact CB-O 3.39Å; D83-V88 PolarHBondContact N-O 2.94Å; D83-R90 HydrophobicContact CB-CG 4.28Å; D83-R90 VanDerWaalsContact CG-NH2 3.29Å; D83-R90 IonicContact OD1-CZ 3.21Å; D83-R90 IonicContact OD1-NE 3.16Å; D83-R90 IonicContact OD1-NH2 3.47Å; D83-R90 PolarHBondContact OD1-NH2 2.76Å; D83-R90 IonicContact OD2-CZ 3.78Å; D83-R90 IonicContact OD2-NE 3.87Å; D83-R90 PolarHBondContact OD2-NE 3.37Å; D83-R90 VanDerWaalsContact OD2-NE 3.16Å; D83-R90 IonicContact OD2-NH2 2.68Å; D83-R90 PolarHBondContact OD2-NH2 3.05Å
84H88.1Confident94.8Very high185 Ų18565.7 Ų65.786%0.85631%0.314SS*.THydrogen-bonded Turntrans-68-20.6177.4-58.2-51.7000113.2
85R91.4Very high94.8Very high235 Ų23563.2 Ų63.289%0.88731%0.305SS*.THydrogen-bonded Turntrans-99.1-12-176.7-61-176.1-176.9-178.11.2113.8D83D83-R85 PolarHBondContact O-N 3.47Å; D83-R85 PolarHBondContact OD1-N 3.09Å
86S87.2Confident94.8Very high40 Ų4065.8 Ų65.828%0.2832%0.321SS..SBendtrans-148.1151.4-17774.40000110.8D83 V88D83-S86 WeakPolarHBondContact CB-OG 3.36Å; D83-S86 PolarHBondContact OD2-OG 3.4Å; S86-V88 PolarHBondContact O-N 2.79Å
87P86.2Confident94.8Very high130 Ų13064 Ų6484%0.84431%0.312SS*.SBendtrans-7531.2179.734-38000112.8
88V91.2Very high94.7Very high59 Ų5965.5 Ų65.536%0.35832%0.321SS..  trans-115.2146.1-173.6-167.20000108.1D83 S86D83-V88 WeakPolarHBondContact CB-O 3.39Å; D83-V88 PolarHBondContact N-O 2.94Å; S86-V88 PolarHBondContact O-N 2.79Å
89Y94.7Very high94.6Very high61 Ų6166 Ų6624%0.23933%0.325CS..EExtended strand (participates in β ladder)trans-82156.6169.6-78.4-96.8000110.4V31 Y34 V80 F81 P82 M120V31-Y89 WeakPolarHBondContact CG1-O 3.31Å; Y34-Y89 WeakPolarHBondContact O-CD2 3.5Å; Y34-Y89 WeakPolarHBondContact O-CE2 2.99Å; V80-Y89 HydrophobicContact CG1-CD1 3.81Å; V80-Y89 HydrophobicContact CG1-CG 4.31Å; F81-Y89 CarbonylContact O-C 3.57Å; F81-Y89 WeakPolarHBondContact O-CA 3.48Å; P82-Y89 HydrophobicContact CB-CD1 4.45Å; P82-Y89 HydrophobicContact CB-CE1 4.1Å; Y89-M120 HydrophobicContact CD1-CE 3.73Å; Y89-M120 HydrophobicContact CE1-CE 3.25Å
90R95.3Very high94.3Very high126 Ų12668.1 Ų68.148%0.47535%0.348SS..EExtended strand (participates in β ladder)trans-122156.2168.6-67.2-176.1-175.9-179.41.8109.1V80 F81 D83V80-R90 VanDerWaalsContact CA-O 3.31Å; V80-R90 WeakPolarHBondContact CA-O 3.32Å; F81-R90 HydrophobicContact CD2-CB 4.45Å; F81-R90 HydrophobicContact CE1-CB 4.11Å; F81-R90 HydrophobicContact CE2-CB 3.89Å; F81-R90 HydrophobicContact CZ-CB 3.69Å; F81-R90 PolarHBondContact N-O 3.15Å; F81-R90 PolarHBondContact O-N 3.47Å; D83-R90 HydrophobicContact CB-CG 4.28Å; D83-R90 VanDerWaalsContact CG-NH2 3.29Å; D83-R90 IonicContact OD1-CZ 3.21Å; D83-R90 IonicContact OD1-NE 3.16Å; D83-R90 IonicContact OD1-NH2 3.47Å; D83-R90 PolarHBondContact OD1-NH2 2.76Å; D83-R90 IonicContact OD2-CZ 3.78Å; D83-R90 IonicContact OD2-NE 3.87Å; D83-R90 PolarHBondContact OD2-NE 3.37Å; D83-R90 VanDerWaalsContact OD2-NE 3.16Å; D83-R90 IonicContact OD2-NH2 2.68Å; D83-R90 PolarHBondContact OD2-NH2 3.05Å
91M96.3Very high94.1Very high53 Ų5371.3 Ų71.326%0.26137%0.37SS..EExtended strand (participates in β ladder)trans-121.5134.2177.2-175.3175.6-79.600108.7H28 V31 Y34 A78 L79 V80 D122H28-M91 HydrophobicContact CB-CE 4.03Å; H28-M91 HydrophobicContact CB-SD 3.7Å; V31-M91 HydrophobicContact CG2-CB 3.78Å; V31-M91 HydrophobicContact CG2-CE 4.39Å; Y34-M91 HydrophobicContact CE2-CE 4.39Å; A78-M91 HydrophobicContact CB-CG 3.5Å; A78-M91 HydrophobicContact CB-SD 3.9Å; L79-M91 CarbonylContact O-C 3.56Å; L79-M91 VanDerWaalsContact O-CA 3.28Å; L79-M91 WeakPolarHBondContact O-CA 3.33Å; V80-M91 HydrophobicContact CG2-CE 3.55Å; V80-M91 HydrophobicContact CG2-CG 4.26Å; M91-D122 HydrophobicContact CE-CB 3.74Å
92R97.5Very high94Very high89 Ų8974.3 Ų74.334%0.33640%0.395SS..EExtended strand (participates in β ladder)trans-129.5122.1175.6174.1166.359.695.6-4.4109.2A78 L79 F81 V113A78-R92 CarbonylContact C-O 3.52Å; A78-R92 VanDerWaalsContact CA-O 3.28Å; A78-R92 WeakPolarHBondContact CA-O 3.4Å; L79-R92 VanDerWaalsContact CD2-NH2 3.28Å; L79-R92 PolarHBondContact N-O 3.39Å; L79-R92 PolarHBondContact O-N 3.11Å; F81-R92 HydrophobicContact CE1-CB 3.89Å; R92-V113 PolarHBondContact NH2-O 3.43Å
93E97.5Very high94.1Very high146 Ų14673.9 Ų73.968%0.68239%0.393SS*.EExtended strand (participates in β ladder)trans-62.3136.5176.4-66.4175.8-174.800110.8
94L97.7Very high94.3Very high18 Ų1879.3 Ų79.39%0.09442%0.422CS..EExtended strand (participates in β ladder)trans-105.6-33.9177.3-57.4-174.4000111.4L54 F77 L79 V113 I121L54-L94 HydrophobicContact CD1-CB 4.33Å; L54-L94 HydrophobicContact CD2-CD1 4.42Å; F77-L94 HydrophobicContact CB-CB 4.15Å; F77-L94 WeakPolarHBondContact O-CB 3.33Å; F77-L94 PolarHBondContact O-N 2.83Å; L79-L94 HydrophobicContact CB-CD1 4.22Å; L79-L94 HydrophobicContact CB-CD2 3.88Å; L79-L94 HydrophobicContact CB-CG 4.2Å; L94-V113 HydrophobicContact CD1-CG2 4.1Å; L94-V113 HydrophobicContact CD2-CB 3.68Å; L94-V113 HydrophobicContact CD2-CG1 3.77Å; L94-V113 HydrophobicContact CD2-CG2 4.09Å; L94-I121 HydrophobicContact CD1-CD1 3.66Å
95G97.4Very high94.7Very high19 Ų1972.2 Ų72.220%0.19639%0.392CS..EExtended strand (participates in β ladder)trans136.7174.217600000113F77F77-G95 WeakPolarHBondContact CB-O 3.4Å; F77-G95 PolarHBondContact N-O 3.24Å; F77-G95 PolarHBondContact O-N 3.45Å
96T97.9Very high95Very high54 Ų5461.7 Ų61.733%0.33135%0.353SS..EExtended strand (participates in β ladder)trans-108.5137.4-175.4-44.90000112.7L74 F75 D76 T105L74-T96 HydrophobicContact CB-CG2 3.85Å; L74-T96 HydrophobicContact CD2-CG2 4.16Å; L74-T96 HydrophobicContact CG-CG2 4.46Å; F75-T96 CarbonylContact O-C 3.57Å; F75-T96 VanDerWaalsContact O-CA 3.3Å; F75-T96 WeakPolarHBondContact O-CA 3.18Å; D76-T96 HydrophobicContact CB-CG2 4.42Å; D76-T96 PolarHBondContact OD1-OG1 2.72Å; T96-T105 WeakPolarHBondContact O-CG2 3.33Å
97V97.9Very high95.4Very high3 Ų368.7 Ų68.72%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-108.8135.7169.8175.40000109.6L54 A58 F75 F77L54-V97 HydrophobicContact CB-CG2 3.71Å; A58-V97 HydrophobicContact CB-CB 4.34Å; A58-V97 HydrophobicContact CB-CG1 4.01Å; F75-V97 HydrophobicContact CB-CB 4.43Å; F75-V97 PolarHBondContact N-O 3.13Å; F75-V97 PolarHBondContact O-N 2.8Å; F77-V97 HydrophobicContact CD2-CG2 4.31Å; F77-V97 HydrophobicContact CE2-CB 4.1Å; F77-V97 HydrophobicContact CE2-CG2 3.87Å
98C97.1Very high96Very high30 Ų3064.7 Ų64.720%0.20334%0.344CS..EExtended strand (participates in β ladder)trans-106.1132.2178.4-176.80000112L74 G100 S101L74-C98 HydrophobicContact CD2-CB 3.81Å; C98-G100 PolarHBondContact O-N 3.34Å; C98-G100 VanDerWaalsContact O-N 3.13Å; C98-S101 PolarHBondContact O-N 2.72Å
99S95.1Very high96.2Very high10 Ų1063.8 Ų63.87%0.0734%0.337CS..THydrogen-bonded Turntrans-66.1115175.3-159.60000111.1K62 R69 R70 R71 G72 T73 S101K62-S99 WeakPolarHBondContact CE-OG 3.49Å; K62-S99 PolarHBondContact NZ-OG 3.09Å; R69-S99 PolarHBondContact O-OG 3.43Å; R70-S99 WeakPolarHBondContact O-CB 3.3Å; R71-S99 CarbonylContact C-O 3.58Å; R71-S99 WeakPolarHBondContact CA-O 3.44Å; G72-S99 PolarHBondContact N-O 3.04Å; T73-S99 PolarHBondContact O-N 3.34Å; S99-S101 VanDerWaalsContact C-N 3.34Å
100G92.7Very high96.4Very high49 Ų4960.9 Ų60.951%0.50533%0.325SS..THydrogen-bonded Turntrans79.513.7177.400000114.6C98C98-G100 PolarHBondContact O-N 3.34Å; C98-G100 VanDerWaalsContact O-N 3.13Å
101S93.7Very high96.4Very high66 Ų6658.3 Ų58.346%0.46232%0.318SS..BIsolated β-bridgetrans-137.4101.1168.3-170.50000109.1C98 S99C98-S101 PolarHBondContact O-N 2.72Å; S99-S101 VanDerWaalsContact C-N 3.34Å
102P94.2Very high96.3Very high114 Ų11460.4 Ų60.474%0.7433%0.33SS*.  trans-59.4145.2176.5-21.633000111.7
103S94.9Very high96.2Very high42 Ų4256.8 Ų56.829%0.29432%0.318SS..  trans-135.8168.7173.874.80000110.9T105 D106S103-T105 PolarHBondContact O-N 2.63Å; S103-T105 WeakPolarHBondContact OG-CB 3.39Å; S103-T105 PolarHBondContact OG-N 3.19Å; S103-D106 WeakPolarHBondContact CB-OD1 3.42Å; S103-D106 PolarHBondContact N-OD1 3.3Å; S103-D106 WeakPolarHBondContact O-CB 3.34Å; S103-D106 VanDerWaalsContact O-CG 3.31Å; S103-D106 PolarHBondContact O-N 3.01Å; S103-D106 PolarHBondContact OG-OD1 3.43Å
104D96.4Very high96.1Very high136 Ų13657.3 Ų57.373%0.72732%0.32SS*.G310 helixtrans-65.3-31.4175.5-68.3-33.9000112D106 R107D104-D106 PolarHBondContact O-N 3.23Å; D104-D106 VanDerWaalsContact O-N 3.16Å; D104-R107 PolarHBondContact O-N 3.03Å
105T96.6Very high96.1Very high37 Ų3756.9 Ų56.923%0.22732%0.318CS..G310 helixtrans-57.1-28.2175-51.30000112.8L54 T96 S103 R107 I108L54-T105 HydrophobicContact CD1-CG2 3.7Å; T96-T105 WeakPolarHBondContact O-CG2 3.33Å; S103-T105 PolarHBondContact O-N 2.63Å; S103-T105 WeakPolarHBondContact OG-CB 3.39Å; S103-T105 PolarHBondContact OG-N 3.19Å; T105-R107 PolarHBondContact O-N 2.65Å; T105-I108 HydrophobicContact CG2-CD1 3.97Å; T105-I108 WeakPolarHBondContact O-CB 3.23Å; T105-I108 PolarHBondContact O-N 3.13Å; T105-I108 VanDerWaalsContact O-N 3.16Å
106D97.4Very high96Very high13 Ų1359.8 Ų59.87%0.0733%0.332CS..G310 helixtrans-56.5-26.5179.2-70.536.4000112.9T53 R55 S103 D104T53-D106 WeakPolarHBondContact CB-O 3.47Å; R55-D106 HydrophobicContact CB-CB 3.91Å; R55-D106 WeakPolarHBondContact CB-O 3.48Å; R55-D106 PolarHBondContact N-O 3.33Å; S103-D106 WeakPolarHBondContact CB-OD1 3.42Å; S103-D106 PolarHBondContact N-OD1 3.3Å; S103-D106 WeakPolarHBondContact O-CB 3.34Å; S103-D106 VanDerWaalsContact O-CG 3.31Å; S103-D106 PolarHBondContact O-N 3.01Å; S103-D106 PolarHBondContact OG-OD1 3.43Å; D104-D106 PolarHBondContact O-N 3.23Å; D104-D106 VanDerWaalsContact O-N 3.16Å
107R96.6Very high96Very high187 Ų18763.1 Ų63.171%0.70635%0.346SS*.G310 helixtrans-93.7-10.2-174.4-59.6179.1-178.3168.62.2113.9D104 T105 M109D104-R107 PolarHBondContact O-N 3.03Å; T105-R107 PolarHBondContact O-N 2.65Å; R107-M109 PolarHBondContact O-N 3.3Å
108I96.9Very high95.8Very high46 Ų4665.8 Ų65.824%0.23637%0.374CS..  trans-60.9124.7179.3-63.7179.1000108.7T53 L54 T105 V113T53-I108 CarbonylContact C-O 3.54Å; T53-I108 VanDerWaalsContact CA-O 3.29Å; T53-I108 WeakPolarHBondContact CA-O 3.41Å; L54-I108 HydrophobicContact CD1-CB 4.04Å; L54-I108 HydrophobicContact CD1-CD1 4.42Å; L54-I108 HydrophobicContact CD1-CG2 4.33Å; L54-I108 HydrophobicContact CG-CB 4.15Å; L54-I108 HydrophobicContact CG-CG2 4.44Å; L54-I108 PolarHBondContact N-O 2.9Å; T105-I108 HydrophobicContact CG2-CD1 3.97Å; T105-I108 WeakPolarHBondContact O-CB 3.23Å; T105-I108 PolarHBondContact O-N 3.13Å; T105-I108 VanDerWaalsContact O-N 3.16Å; I108-V113 HydrophobicContact CG2-CG1 3.34Å
109M97.3Very high95.8Very high40 Ų4065 Ų6520%0.19737%0.368CS..BIsolated β-bridgetrans-97.5158.8178.5-55.7179.8-176.100111.5D51 A52 T53 R107 K111 D112 V113D51-M109 HydrophobicContact CB-SD 3.96Å; A52-M109 CarbonylContact O-C 3.47Å; A52-M109 VanDerWaalsContact O-CA 3.27Å; A52-M109 WeakPolarHBondContact O-CA 3.32Å; T53-M109 HydrophobicContact CG2-CE 4.36Å; T53-M109 HydrophobicContact CG2-CG 3.93Å; R107-M109 PolarHBondContact O-N 3.3Å; M109-K111 VanDerWaalsContact C-N 3.26Å; M109-K111 HydrophobicContact CB-CG 3.87Å; M109-K111 PolarHBondContact O-N 3.22Å; M109-K111 HydrophobicContact SD-CD 4.47Å; M109-K111 WeakPolarHBondContact SD-CE 3.31Å; M109-D112 WeakPolarHBondContact CB-OD2 3.48Å; M109-D112 PolarHBondContact N-OD2 3.02Å; M109-D112 WeakPolarHBondContact O-CB 3.46Å; M109-D112 PolarHBondContact O-N 3.44Å; M109-V113 PolarHBondContact O-N 2.78Å
110L97.2Very high95.9Very high1 Ų164.7 Ų64.71%0.00537%0.365CS..G310 helixtrans-55.9-40.1175.6-68.1177000112.6L19 T48 F50 A52 L57 D112 V113 F115 I121L19-L110 HydrophobicContact CD2-CD1 4.16Å; T48-L110 HydrophobicContact CG2-CD1 4.09Å; F50-L110 PolarHBondContact O-N 3.01Å; A52-L110 HydrophobicContact CB-CD1 4.05Å; A52-L110 HydrophobicContact CB-CG 4.39Å; A52-L110 PolarHBondContact O-N 3.08Å; L57-L110 HydrophobicContact CD1-CD2 4.17Å; L110-D112 VanDerWaalsContact C-N 3.27Å; L110-D112 PolarHBondContact O-N 3.21Å; L110-V113 WeakPolarHBondContact O-CG2 3.11Å; L110-V113 PolarHBondContact O-N 3.44Å; L110-F115 HydrophobicContact CB-CB 4.09Å; L110-F115 HydrophobicContact CB-CD1 4.31Å; L110-F115 HydrophobicContact CB-CG 4.29Å; L110-F115 HydrophobicContact CD2-CB 4.49Å; L110-F115 HydrophobicContact CD2-CD2 4.43Å; L110-F115 HydrophobicContact CD2-CG 4.34Å; L110-F115 WeakPolarHBondContact O-CB 3.44Å; L110-F115 PolarHBondContact O-N 3.04Å; L110-I121 HydrophobicContact CD2-CD1 4.31Å
111K95.2Very high96.1Very high72 Ų7262.4 Ų62.431%0.31334%0.341SS..G310 helixtrans-62.1-32.2175.360.3171.9-170.1163.30113.5S7 F50 M109 V113 Q114S7-K111 VanDerWaalsContact C-NZ 3.3Å; S7-K111 WeakPolarHBondContact O-CE 3.33Å; S7-K111 PolarHBondContact O-NZ 2.86Å; F50-K111 HydrophobicContact CB-CB 4.24Å; F50-K111 WeakPolarHBondContact O-CG 3.31Å; F50-K111 PolarHBondContact O-N 3.33Å; M109-K111 VanDerWaalsContact C-N 3.26Å; M109-K111 HydrophobicContact CB-CG 3.87Å; M109-K111 PolarHBondContact O-N 3.22Å; M109-K111 HydrophobicContact SD-CD 4.47Å; M109-K111 WeakPolarHBondContact SD-CE 3.31Å; K111-V113 PolarHBondContact O-N 3.05Å; K111-Q114 PolarHBondContact O-N 3.39Å
112D95.1Very high96.3Very high96 Ų9659.2 Ų59.251%0.51332%0.319SS..G310 helixtrans-74.7-22.9-175.5-57.4-32000110.7M109 L110M109-D112 WeakPolarHBondContact CB-OD2 3.48Å; M109-D112 PolarHBondContact N-OD2 3.02Å; M109-D112 WeakPolarHBondContact O-CB 3.46Å; M109-D112 PolarHBondContact O-N 3.44Å; L110-D112 VanDerWaalsContact C-N 3.27Å; L110-D112 PolarHBondContact O-N 3.21Å
113V95.6Very high96.5Very high14 Ų1453.8 Ų53.89%0.08528%0.284CS..G310 helixtrans-98.617-179.6-590000113.1R92 L94 I108 M109 L110 K111 F115R92-V113 PolarHBondContact NH2-O 3.43Å; L94-V113 HydrophobicContact CD1-CG2 4.1Å; L94-V113 HydrophobicContact CD2-CB 3.68Å; L94-V113 HydrophobicContact CD2-CG1 3.77Å; L94-V113 HydrophobicContact CD2-CG2 4.09Å; I108-V113 HydrophobicContact CG2-CG1 3.34Å; M109-V113 PolarHBondContact O-N 2.78Å; L110-V113 WeakPolarHBondContact O-CG2 3.11Å; L110-V113 PolarHBondContact O-N 3.44Å; K111-V113 PolarHBondContact O-N 3.05Å; V113-F115 HydrophobicContact CG2-CB 4.28Å; V113-F115 PolarHBondContact O-N 3.33Å
114Q95.3Very high96.7Very high156 Ų15652 Ų5273%0.72927%0.271SS*.THydrogen-bonded Turntrans55.233.4-179.1-55.8178.3-35.300113.3K111 T116K111-Q114 PolarHBondContact O-N 3.39Å; Q114-T116 PolarHBondContact O-N 3.16Å
115F96.7Very high96.7Very high10 Ų1045.9 Ų45.94%0.04424%0.239CC..  trans-61.6135.5173.3172.7-95.2000110.3L17 L19 F50 L79 L110 V113 D119L17-F115 HydrophobicContact CD1-CE1 4.12Å; L17-F115 HydrophobicContact CD1-CZ 4.44Å; L17-F115 HydrophobicContact CD2-CE1 4.15Å; L19-F115 HydrophobicContact CD1-CD2 4.47Å; L19-F115 HydrophobicContact CD1-CE1 4.49Å; L19-F115 HydrophobicContact CD1-CE2 3.53Å; L19-F115 HydrophobicContact CD1-CZ 3.55Å; F50-F115 HydrophobicContact CD1-CD1 4.11Å; F50-F115 AromaticContact CE1-CD1 3.73Å; F50-F115 HydrophobicContact CE1-CD1 3.73Å; F50-F115 HydrophobicContact CE1-CE1 4.25Å; L79-F115 HydrophobicContact CD1-CD2 3.67Å; L79-F115 HydrophobicContact CD1-CE2 4.45Å; L110-F115 HydrophobicContact CB-CB 4.09Å; L110-F115 HydrophobicContact CB-CD1 4.31Å; L110-F115 HydrophobicContact CB-CG 4.29Å; L110-F115 HydrophobicContact CD2-CB 4.49Å; L110-F115 HydrophobicContact CD2-CD2 4.43Å; L110-F115 HydrophobicContact CD2-CG 4.34Å; L110-F115 WeakPolarHBondContact O-CB 3.44Å; L110-F115 PolarHBondContact O-N 3.04Å; V113-F115 HydrophobicContact CG2-CB 4.28Å; V113-F115 PolarHBondContact O-N 3.33Å; F115-D119 HydrophobicContact CD2-CB 3.79Å; F115-D119 HydrophobicContact CE2-CB 3.66Å
116T96.9Very high96.7Very high80 Ų8046.5 Ų46.549%0.49124%0.242SC..  trans-119.5152.2172.966.90000110.9Q114 G118 D119Q114-T116 PolarHBondContact O-N 3.16Å; T116-G118 PolarHBondContact O-N 3.1Å; T116-D119 WeakPolarHBondContact CA-OD2 2.96Å; T116-D119 PolarHBondContact N-OD2 3.44Å; T116-D119 VanDerWaalsContact O-CB 3.29Å; T116-D119 WeakPolarHBondContact O-CB 2.95Å; T116-D119 PolarHBondContact O-N 3.17Å; T116-D119 VanDerWaalsContact OG1-CG 3.23Å; T116-D119 PolarHBondContact OG1-OD1 2.86Å; T116-D119 PolarHBondContact OG1-OD2 3.29Å
117I96.3Very high96.6Very high124 Ų12448.6 Ų48.664%0.63626%0.257SS*.THydrogen-bonded Turntrans-64.7123.8177.8-62173.2000108.8L17 F50L17-I117 HydrophobicContact CD2-CG1 4.49Å; F50-I117 HydrophobicContact CE2-CD1 4.45Å; F50-I117 HydrophobicContact CZ-CD1 4.22Å; F50-I117 HydrophobicContact CZ-CG1 3.92Å
118G94.5Very high96.4Very high58 Ų5841.3 Ų41.360%0.59823%0.234SC*.THydrogen-bonded Turntrans113.1-21.5-172.600000112.5T116T116-G118 PolarHBondContact O-N 3.1Å
119D96.7Very high95.9Very high15 Ų1547.6 Ų47.68%0.0827%0.267CS..  trans-69158.9169.2-61.5-28.1000111L79 F81 F115 T116L79-D119 HydrophobicContact CD1-CB 3.77Å; F81-D119 WeakPolarHBondContact CB-OD1 3.34Å; F115-D119 HydrophobicContact CD2-CB 3.79Å; F115-D119 HydrophobicContact CE2-CB 3.66Å; T116-D119 WeakPolarHBondContact CA-OD2 2.96Å; T116-D119 PolarHBondContact N-OD2 3.44Å; T116-D119 VanDerWaalsContact O-CB 3.29Å; T116-D119 WeakPolarHBondContact O-CB 2.95Å; T116-D119 PolarHBondContact O-N 3.17Å; T116-D119 VanDerWaalsContact OG1-CG 3.23Å; T116-D119 PolarHBondContact OG1-OD1 2.86Å; T116-D119 PolarHBondContact OG1-OD2 3.29Å
120M97.1Very high94.7Very high3 Ų348.9 Ų48.92%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-122.8156-179.5-64.1174.3-7100109.3R20 F22 Y34 T39 V80 Y89R20-M120 HydrophobicContact CB-CG 4.27Å; F22-M120 HydrophobicContact CD2-CB 4.26Å; F22-M120 HydrophobicContact CE2-CB 3.91Å; F22-M120 HydrophobicContact CE2-CG 3.86Å; F22-M120 HydrophobicContact CE2-SD 3.52Å; F22-M120 VanDerWaalsContact CE2-SD 3.52Å; F22-M120 HydrophobicContact CZ-SD 4.01Å; Y34-M120 HydrophobicContact CD1-CE 3.53Å; Y34-M120 HydrophobicContact CD1-SD 3.93Å; Y34-M120 HydrophobicContact CE1-CE 4.22Å; Y34-M120 HydrophobicContact CE1-SD 4.24Å; Y34-M120 HydrophobicContact CG-CE 4.28Å; T39-M120 HydrophobicContact CG2-SD 4.12Å; V80-M120 HydrophobicContact CB-CB 4.16Å; V80-M120 HydrophobicContact CG1-CE 4.01Å; V80-M120 PolarHBondContact N-O 3.06Å; V80-M120 PolarHBondContact O-N 3.34Å; Y89-M120 HydrophobicContact CD1-CE 3.73Å; Y89-M120 HydrophobicContact CE1-CE 3.25Å
121I98Very high92.9Very high0 Ų056.8 Ų56.80%032%0.319CS..EExtended strand (participates in β ladder)trans-113129.4173.9-64.9-70.6000108.5L19 R20 M21 F22 F77 A78 L79 L94 L110 V123L19-I121 HydrophobicContact CD1-CG1 3.9Å; R20-I121 PolarHBondContact O-N 3.38Å; M21-I121 CarbonylContact C-O 3.48Å; M21-I121 WeakPolarHBondContact CA-O 3.36Å; M21-I121 HydrophobicContact CE-CG2 4.44Å; M21-I121 HydrophobicContact CG-CB 4.14Å; M21-I121 HydrophobicContact CG-CG2 4.43Å; F22-I121 PolarHBondContact N-O 2.75Å; F77-I121 HydrophobicContact CD1-CG2 3.85Å; A78-I121 CarbonylContact O-C 3.35Å; A78-I121 WeakPolarHBondContact O-CA 3.24Å; L79-I121 HydrophobicContact CD1-CD1 3.79Å; L94-I121 HydrophobicContact CD1-CD1 3.66Å; L110-I121 HydrophobicContact CD2-CD1 4.31Å; I121-V123 HydrophobicContact CG2-CG2 3.93Å
122D98Very high91.2Very high0 Ų058.9 Ų58.90%034%0.338CS..EExtended strand (participates in β ladder)trans-101.4139.4168.9-163.658.5000110.1F22 H28 N29 Y34 A78 V80 M91F22-D122 VanDerWaalsContact O-OD1 3.11Å; H28-D122 WeakPolarHBondContact CA-OD2 3.46Å; H28-D122 VanDerWaalsContact CB-OD2 3.25Å; H28-D122 WeakPolarHBondContact CB-OD2 3.28Å; H28-D122 PolarHBondContact CE1-O 2.83Å; H28-D122 IonicContact CE1-OD2 3.95Å; H28-D122 IonicContact CG-OD2 3.88Å; H28-D122 IonicContact ND1-OD2 3.87Å; H28-D122 PolarHBondContact ND1-OD2 2.84Å; N29-D122 PolarHBondContact N-OD2 3.36Å; N29-D122 PolarHBondContact ND2-OD1 3.02Å; Y34-D122 VanDerWaalsContact OH-CG 3.3Å; Y34-D122 PolarHBondContact OH-OD1 3.5Å; A78-D122 PolarHBondContact N-O 3.35Å; A78-D122 PolarHBondContact O-N 2.93Å; V80-D122 HydrophobicContact CG2-CB 3.86Å; M91-D122 HydrophobicContact CE-CB 3.74Å
123V98.1Very high89Confident0 Ų061.3 Ų61.30%035%0.351CS..EExtended strand (participates in β ladder)trans-128.9113.1-178-1690000109.7M21 F22 C23 S24 F75 D76 F77 I121 I125M21-V123 HydrophobicContact CE-CG2 3.6Å; F22-V123 PolarHBondContact O-N 2.98Å; C23-V123 WeakPolarHBondContact CA-O 3.27Å; S24-V123 PolarHBondContact N-O 3.42Å; F75-V123 HydrophobicContact CB-CG1 4.2Å; F75-V123 HydrophobicContact CD1-CG1 4.28Å; D76-V123 CarbonylContact O-C 3.24Å; D76-V123 VanDerWaalsContact O-CA 3.27Å; D76-V123 WeakPolarHBondContact O-CA 3.39Å; F77-V123 HydrophobicContact CD1-CG1 4.36Å; F77-V123 HydrophobicContact CD1-CG2 3.65Å; F77-V123 HydrophobicContact CE1-CG1 4.11Å; F77-V123 HydrophobicContact CE1-CG2 3.6Å; F77-V123 HydrophobicContact CZ-CG1 4.26Å; I121-V123 HydrophobicContact CG2-CG2 3.93Å; V123-I125 HydrophobicContact CG1-CG1 4.29Å
124A97.8Very high86.9Confident3 Ų364.1 Ų64.13%0.02538%0.376CS..EExtended strand (participates in β ladder)trans-90119.8170.700000110D76D76-A124 HydrophobicContact CB-CB 4.18Å; D76-A124 PolarHBondContact N-O 3.05Å; D76-A124 PolarHBondContact O-N 2.79Å
125I97.4Very high84.5Confident9 Ų962.1 Ų62.15%0.04638%0.377CS..EExtended strand (participates in β ladder)trans-101.1113.5-178.7-54.1173.5000108.8C23 S24 K26 V61 T73 L74 F75 V123C23-I125 HydrophobicContact CB-CD1 4.21Å; S24-I125 PolarHBondContact O-N 2.8Å; K26-I125 PolarHBondContact N-O 2.89Å; V61-I125 HydrophobicContact CG1-CD1 3.56Å; V61-I125 HydrophobicContact CG1-CG1 4.41Å; T73-I125 HydrophobicContact CG2-CG2 3.63Å; L74-I125 WeakPolarHBondContact O-CA 3.19Å; F75-I125 HydrophobicContact CD1-CG1 4.08Å; F75-I125 HydrophobicContact CE1-CD1 4.43Å; F75-I125 HydrophobicContact CE1-CG1 4.3Å; F75-I125 HydrophobicContact CE1-CG2 4.32Å; V123-I125 HydrophobicContact CG1-CG1 4.29Å
126T97Very high81.8Confident49 Ų4969.5 Ų69.530%0.30141%0.409SS..EExtended strand (participates in β ladder)trans-111109.6177.8-60.80000109.2T73 L74T73-T126 CarbonylContact C-O 3.57Å; T73-T126 WeakPolarHBondContact CA-O 3.24Å; L74-T126 PolarHBondContact N-O 2.85Å; L74-T126 PolarHBondContact O-N 3.3Å
127P94.4Very high79.5Confident58 Ų5872 Ų7238%0.37742%0.418SS..  trans-63156.5177.727.5-34.1000111.1
128P93.1Very high77Confident33 Ų3373 Ų7321%0.21442%0.418CS..  trans-60.5147.2175.828.3-36.4000110.4R70 R71 T73 T130R70-P128 HydrophobicContact CB-CG 4.08Å; R71-P128 WeakPolarHBondContact O-CB 3.4Å; R71-P128 WeakPolarHBondContact O-CG 3.48Å; T73-P128 WeakPolarHBondContact OG1-CD 3.45Å; P128-T130 PolarHBondContact O-N 2.89Å
129L86.2Confident74.5Confident178 Ų17876.7 Ų76.793%0.93242%0.424SS*.  trans-64.6107.5167.3-61.1173.7000107.6
130T72.5Confident71.9Confident67 Ų6783 Ų8341%0.41146%0.457SS..  trans-83.9137.2164.950.20000107.9P128 T132 N133P128-T130 PolarHBondContact O-N 2.89Å; T130-T132 PolarHBondContact O-N 2.83Å; T130-T132 PolarHBondContact OG1-OG1 3.01Å; T130-T132 VanDerWaalsContact OG1-OG1 3.11Å; T130-N133 PolarHBondContact O-N 3.02Å
131D59.1Low69.5Low168 Ų16887.3 Ų87.390%0.89849%0.488SS*.THydrogen-bonded Turntrans-56-3.2179.1-62.3-43.5000114.5
132T59.6Low67Low115 Ų11594.5 Ų94.571%0.70653%0.525SS*.THydrogen-bonded Turntrans-88.61.4-177.6500000115.3T130T130-T132 PolarHBondContact O-N 2.83Å; T130-T132 PolarHBondContact OG1-OG1 3.01Å; T130-T132 VanDerWaalsContact OG1-OG1 3.11Å
133N49.6Very low64.5Low147 Ų147102.1 Ų102.179%0.78657%0.565SS**SBendtrans-140.617.1-178.7-101.8-17.9000116.3T130T130-N133 PolarHBondContact O-N 3.02Å
134A51Low61.9Low74 Ų74109.5 Ų109.561%0.61260%0.603SS**SBendtrans-70.1131.6160.900000108.3F136A134-F136 PolarHBondContact O-N 3.12Å
135P45.2Very low59.4Low114 Ų114114.9 Ų114.974%0.7463%0.632SS**  trans-58.4110.8162.424.9-29.5000106I137P135-I137 PolarHBondContact O-N 2.82Å
136F38.7Very low57.2Low165 Ų165119.6 Ų119.672%0.72467%0.666SS**  trans-66.187.2177-169-136.8000107.7A134 K138A134-F136 PolarHBondContact O-N 3.12Å; F136-K138 HydrophobicContact CD1-CD 4.03Å; F136-K138 HydrophobicContact CD1-CG 3.33Å; F136-K138 HydrophobicContact CE1-CD 3.68Å; F136-K138 HydrophobicContact CE1-CG 3.12Å; F136-K138 HydrophobicContact CE2-CG 4.35Å; F136-K138 HydrophobicContact CG-CG 4.11Å; F136-K138 HydrophobicContact CZ-CD 4.45Å; F136-K138 HydrophobicContact CZ-CG 3.63Å; F136-K138 PolarHBondContact O-N 2.73Å
137I49.5Very low54.8Low131 Ų131120.1 Ų120.167%0.67268%0.68SS**  trans-70.193156.3-59.8-169.5000104.6P135 N139P135-I137 PolarHBondContact O-N 2.82Å; I137-N139 VanDerWaalsContact CG2-OD1 3.26Å; I137-N139 WeakPolarHBondContact CG2-OD1 3.34Å; I137-N139 PolarHBondContact O-N 3.04Å
138K43.9Very low52.6Low147 Ų147128.1 Ų128.164%0.63970%0.703SS**  trans-61.590.2156.4-72.5-177.3176.9179.70106.6F136 D140F136-K138 HydrophobicContact CD1-CD 4.03Å; F136-K138 HydrophobicContact CD1-CG 3.33Å; F136-K138 HydrophobicContact CE1-CD 3.68Å; F136-K138 HydrophobicContact CE1-CG 3.12Å; F136-K138 HydrophobicContact CE2-CG 4.35Å; F136-K138 HydrophobicContact CG-CG 4.11Å; F136-K138 HydrophobicContact CZ-CD 4.45Å; F136-K138 HydrophobicContact CZ-CG 3.63Å; F136-K138 PolarHBondContact O-N 2.73Å; K138-D140 PolarHBondContact O-N 3.22Å
139N42.5Very low50.4Low135 Ų135138.8 Ų138.872%0.72274%0.739SS**  trans-72.485.3150.3-75.2-15.1000105.6I137 S141I137-N139 VanDerWaalsContact CG2-OD1 3.26Å; I137-N139 WeakPolarHBondContact CG2-OD1 3.34Å; I137-N139 PolarHBondContact O-N 3.04Å; N139-S141 PolarHBondContact O-N 3.06Å
140D40.4Very low48.1Very low146 Ų146138.6 Ų138.678%0.78174%0.738SS**  trans-72.775.7166-150.8-4.1000106.7K138K138-D140 PolarHBondContact O-N 3.22Å
141S47.9Very low46.9Very low95 Ų95140.7 Ų140.766%0.66476%0.755SS**  trans-116.283.5167.759.70000107.6N139N139-S141 PolarHBondContact O-N 3.06Å
142L45Very low46.7Very low150 Ų150141 Ų14179%0.78575%0.749SS**  trans34.8104139.6-61.5171.5000115.8L144L142-L144 PolarHBondContact O-N 3.38Å; L142-L144 VanDerWaalsContact O-N 3.1Å
143I44.6Very low46.4Very low161 Ų161143.1 Ų143.183%0.82675%0.75SS**  trans-38.8111.1152-63.1174000109.6D145I143-D145 HydrophobicContact CG2-CB 3.99Å
144L43.6Very low46.1Very low155 Ų155142.2 Ų142.281%0.81275%0.746SS**  trans-91.188.4155-120.7103.7000107.2L142 S146L142-L144 PolarHBondContact O-N 3.38Å; L142-L144 VanDerWaalsContact O-N 3.1Å; L144-S146 PolarHBondContact O-N 3.43Å; L144-S146 VanDerWaalsContact O-N 3.15Å
145D45.9Very low46Very low116 Ų116146.6 Ų146.662%0.6276%0.759SS**  trans-70.799.4164.8179.421.2000108I143 G147I143-D145 HydrophobicContact CG2-CB 3.99Å; D145-G147 PolarHBondContact O-N 2.55Å
146S51.4Low46.3Very low108 Ų108145.9 Ų145.976%0.75575%0.754SS**  trans-92.481.6168.3-61.40000108L144L144-S146 PolarHBondContact O-N 3.43Å; L144-S146 VanDerWaalsContact O-N 3.15Å
147G47Very low46.9Very low59 Ų59144.7 Ų144.761%0.60875%0.754SS**  trans-174.418.6-172.100000121.2D145D145-G147 PolarHBondContact O-N 2.55Å
148R48.2Very low47.1Very low227 Ų227144.5 Ų144.586%0.85776%0.759SS**  trans-130.3111.7169.2-78.1-168.5-169.3-1552.5114.3
149R46Very low47.3Very low257 Ų257148.4 Ų148.497%0.9777%0.77SS**  trans-58.4126.5163.4-90177.5168.4-179.6-3.6110.6
150L39.4Very low47.5Very low173 Ų173149.2 Ų149.291%0.90677%0.774SS**  trans-75.6138.3167.5-82.3136.5000111.4
151S47.5Very low47.9Very low111 Ų111153 Ų15378%0.77678%0.777SS**  trans-136107.9152.663.30000111.3
152K54.3Low48Very low176 Ų176159.7 Ų159.777%0.76579%0.788SS**  trans65.5123.4139.7-71-177.6175.51780121.5
153Q52.5Low48.2Very low158 Ų158157.4 Ų157.474%0.73879%0.785SS**  trans68.3132.3130.9-71.5178-11.500116.5
154N43.3Very low48.5Very low129 Ų129157.5 Ų157.569%0.6978%0.781SS**  cis-163.6144.214.4-88.2-33000105.4
155N48.4Very low48.7Very low165 Ų165158.4 Ų158.488%0.88278%0.781SS**  trans-160.9132.7141.6-101.9-12.6000110.8
156P53.4Low49Very low99 Ų99158.7 Ų158.764%0.64378%0.777SS**  trans-98.7147.5-168.74.718.2000113.4
157I49.7Very low48.4Very low141 Ų141161.8 Ų161.872%0.72377%0.773SS**  trans66.4109.7130.3-54.1164.4000116.1
158T54Low48.7Very low126 Ų126166.8 Ų166.877%0.77378%0.781SS**  -16711693.6320000109.4
159R48.2Very low48.2Very low230 Ų230164.4 Ų164.487%0.86878%0.779SS**  61.799.7100.6-78.3-173178.2171.10.7117.4
160N47.2Very low48.7Very low151 Ų151160.7 Ų160.781%0.80777%0.772SS**  -176.7110.1121.8-98.5-23.4000109.9
161R48.5Very low49.6Very low227 Ų227157.9 Ų157.986%0.85776%0.764SS**  76.892.990.5-150.9176.4-167.7177.92.3110.9
162R49.8Very low49.6Very low235 Ų235158.5 Ų158.589%0.88777%0.766SS**  42.6132.594.8-84.5-172.4-179175.60.2112.1
163S50.3Low49.5Very low102 Ų102157.5 Ų157.571%0.71377%0.769SS**  cis176.3145.316.237.80000108.3
164H49.4Very low49.4Very low162 Ų162153.8 Ų153.875%0.7576%0.76SS**  65.5120.8129-155.7-93.3000120.4
165E47.8Very low49.6Very low174 Ų174154.2 Ų154.281%0.81376%0.763SS**  trans164.7154.6142.4-94.1177.9155.500109.2
166K52.1Low49.7Very low123 Ų123154.2 Ų154.254%0.53576%0.763SS.*  cis173142.9-28.1-143167.1172.6-156.70105.4
167Y40.3Very low49.5Very low172 Ų172154.4 Ų154.468%0.67576%0.764SS**  trans70.7150.5165.2-43.3-68.6000116.9
168H51.8Low49.7Very low165 Ų165154.9 Ų154.976%0.76477%0.768SS**  cis-156.7145.825.4-106.4-63000110.4
169E38.7Very low49.7Very low177 Ų177156.4 Ų156.483%0.82777%0.771SS**  trans-70.9155.4160.3-68.8179.8127.200111.5
170H56.7Low49.5Very low178 Ų178154 Ų15482%0.82477%0.769SS**  trans-171.3156.3139.5-86.5-40.3000112.2
171P58.7Low49.2Very low114 Ų114152 Ų15274%0.7477%0.767SS**  trans-106.1-175.1-145.543.6-35.9000114.4
172P47.1Very low49.3Very low125 Ų125146.6 Ų146.681%0.81276%0.764SS**  trans-92.9154.7-166.336.5-30000113.5
173N51.9Low49.4Very low155 Ų155144.5 Ų144.583%0.82976%0.761SS**  trans-147.5126.6172.2-1436.4000114
174S50.9Low48.7Very low79 Ų79150.6 Ų150.655%0.55277%0.77SS**  trans56131.2137.694.40000123.9
175N47.5Very low48.3Very low139 Ų139152.5 Ų152.574%0.74377%0.771SS**  trans80.8107.7132.7-59.7-16.7000120
176N50.8Low47.9Very low165 Ų165152.7 Ų152.788%0.88276%0.764SS**  -165.5118.6127.8-99.3-18000110.2
177P48.1Very low47.4Very low103 Ų103154.7 Ų154.767%0.66978%0.775SS**  trans-87.8178.4151.635.5-24.5000109.7
178D53.5Low47.5Very low151 Ų151153 Ų15381%0.80778%0.782SS**  trans94.9100.5176.6-52.5-24.2000116
179L54.9Low47.1Very low158 Ų158152.4 Ų152.483%0.82779%0.785SS**  175.298.4123.7-109.491000106.6
180E43.3Very low47.2Very low180 Ų180151.3 Ų151.384%0.84179%0.785SS**  8611988.7-156.7179.7-153.100112.6
181S41.6Very low46.6Very low109 Ų109148.9 Ų148.976%0.76278%0.782SS**  trans-57167.5-178.1-600000114.5
182S49.5Very low45.7Very low112 Ų112150.4 Ų150.478%0.78378%0.784SS**  trans99.998.515880.20000116.7
183K52.8Low45.3Very low191 Ų191152.3 Ų152.383%0.8379%0.786SS**  trans-163142.4136.1-100.9157.2-168.7-177.40107.4
184Y36.4Very low44.7Very low231 Ų231150.9 Ų150.991%0.90678%0.783SS**  trans87.867.6-178.9-50.4-74.8000117.3
185R40.4Very low44.4Very low201 Ų201152.1 Ų152.176%0.75879%0.792SS**  trans-150.6125.7154-168.6161.7-158.6-169.39.2112.1
186R38.1Very low44.1Very low179 Ų179154.1 Ų154.168%0.67580%0.797SS**  trans71.5135.9166.8-63.4168-144.9164.83.5114.6
187H42.8Very low43.5Very low164 Ų164151.6 Ų151.676%0.75978%0.783SS**  -153.3133.858.9-83.4-89.1000113.1
188V42.6Very low43.2Very low137 Ų137154.5 Ų154.583%0.8379%0.785SS**  trans-75.4136.1150-100.50000108
189N43.2Very low42.1Very low153 Ų153153.1 Ų153.182%0.81878%0.782SS**  trans-148.9124.1156.4-92.9-16.6000109.8
190N40.2Very low41.3Very low154 Ų154154.8 Ų154.882%0.82479%0.786SS**  trans-64.4145.8170.9-87-17.3000111.5
191V45.3Very low40.8Very low127 Ų127155.8 Ų155.877%0.7779%0.788SS**  trans-139113.7147.3-166.10000108.3L193V191-L193 HydrophobicContact CG1-CD1 4.13Å
192N38Very low40.6Very low146 Ų146156.4 Ų156.478%0.78179%0.792SS**  trans-75.6136.4164-84.7-26.2000108.8
193L40.3Very low40Very low165 Ų165160.2 Ų160.286%0.86480%0.798SS**  trans-128.8109.1155.4-96.3113.4000108.9V191V191-L193 HydrophobicContact CG1-CD1 4.13Å
194T38.7Very low39.3Very low124 Ų124157.1 Ų157.176%0.76180%0.8SS**  trans-90.8140.2164.237.30000109.8
195S43.6Very low39.4Very low105 Ų105149.7 Ų149.773%0.73479%0.794SS**  trans159.5111.1142.5-68.70000107.6
196Q43.1Very low39.3Very low182 Ų182150.4 Ų150.485%0.8580%0.802SS**  51.2123.5101.5-63.8-173.4-9.800111.5
197D37.1Very low39.7Very low112 Ų112149.2 Ų149.260%0.59980%0.804SS**  -178.4153.457.4-144-1.5000110.5
198K41.4Very low39.7Very low163 Ų163145.8 Ų145.871%0.70980%0.799SS**  trans47.1118.2146.4-70.9158.6-162148.80124.1
199T31.3Very low40.1Very low122 Ų122147.2 Ų147.275%0.74879%0.79SS**  53.2116.9117.6-320000119.5
200E36.7Very low40.3Very low193 Ų193145.2 Ų145.290%0.90278%0.777SS**  -174.3143.8117.9-101.2171.1-166.300113.8
201K33.6Very low40.7Very low202 Ų202141.2 Ų141.288%0.87876%0.756SS**  trans-72.7146.7178.1-70.7169.1170.1177.70111
202S36.5Very low40.6Very low122 Ų122143.1 Ų143.185%0.85375%0.754SS**  trans-172.4130.2131.736.80000112
203E37.7Very low41.5Very low192 Ų192138.1 Ų138.190%0.89773%0.73SS**  trans-71.4141.9168.6-64.7165.112900110.3
204S38.3Very low42.3Very low125 Ų125137 Ų13787%0.87474%0.736SS**  trans-178.6138.3143.346.10000112.4
205G39.1Very low43.2Very low76 Ų76136.1 Ų136.178%0.78473%0.727SS**  trans93.369.3148.600000118.8E207G205-E207 PolarHBondContact O-N 2.72Å
206K38.2Very low43.5Very low216 Ų216134.2 Ų134.294%0.93972%0.724SS**  trans-76.297.7159.2-72.8178.3-179.5172.70109.2
207E45.9Very low43.8Very low153 Ų153131.8 Ų131.872%0.71571%0.707SS**  trans-94.5102.4176.6-155.7177.1159.500110.3G205 R209G205-E207 PolarHBondContact O-N 2.72Å; E207-R209 IonicContact OE1-NE 3.24Å; E207-R209 IonicContact OE1-NH2 3.35Å
208S43Very low44.2Very low93 Ų93132.9 Ų132.965%0.6570%0.704SS**  trans-83.2116.4170.354.50000109.7
209R51.1Low44.2Very low167 Ų167128.7 Ų128.763%0.6369%0.689SS**EExtended strand (participates in β ladder)trans-99.8124170.2-81.2-173.8-178.4172.22.1110.8E207E207-R209 IonicContact OE1-NE 3.24Å; E207-R209 IonicContact OE1-NH2 3.35Å
210I47.6Very low44.7Very low110 Ų110129.1 Ų129.156%0.56468%0.678SS**EExtended strand (participates in β ladder)trans-91104.5172.3-59.2171.6000106.9Y218I210-Y218 HydrophobicContact CG2-CD1 4.36Å
211D48.4Very low44.9Very low70 Ų70124.5 Ų124.537%0.37466%0.655SS.*EExtended strand (participates in β ladder)trans-94113.2172.6-68.7-26.6000108.5S213 K221D211-S213 PolarHBondContact O-N 3.43Å; D211-K221 IonicContact OD2-NZ 3.46Å; D211-K221 PolarHBondContact OD2-NZ 2.84Å
212K43.8Very low45.5Very low167 Ų167118.8 Ų118.873%0.72664%0.637SS**EExtended strand (participates in β ladder)trans-72.7119.1169-80.5-175.41761790108.9
213S55.4Low46Very low41 Ų41119.4 Ų119.429%0.28763%0.631SS.*  trans-74.9150.4167.271.40000110.2D211 D215 G216 R217D211-S213 PolarHBondContact O-N 3.43Å; S213-D215 PolarHBondContact O-N 3.34Å; S213-G216 PolarHBondContact O-N 3.24Å; S213-G216 VanDerWaalsContact O-N 3.17Å; S213-R217 PolarHBondContact OG-N 3.13Å; S213-R217 PolarHBondContact OG-O 3.22Å
214S57.1Low46.9Very low141 Ų141115.1 Ų115.199%0.98663%0.628SS**THydrogen-bonded Turntrans-61.1-10.6177.945.40000114.3
215D58.4Low47.6Very low107 Ų107114.1 Ų114.157%0.57261%0.605SS**THydrogen-bonded Turntrans-100.219.3178.6-164.933.2000112.9S213 R217S213-D215 PolarHBondContact O-N 3.34Å; D215-R217 PolarHBondContact O-N 3.19Å; D215-R217 VanDerWaalsContact O-N 3.1Å; D215-R217 IonicContact OD2-CZ 3.53Å; D215-R217 IonicContact OD2-NE 3.47Å; D215-R217 PolarHBondContact OD2-NE 2.95Å; D215-R217 IonicContact OD2-NH2 2.72Å; D215-R217 PolarHBondContact OD2-NH2 3.29Å
216G49Very low48.8Very low65 Ų65117 Ų11767%0.6759%0.592SS**SBendtrans72.43.1173.900000116S213S213-G216 PolarHBondContact O-N 3.24Å; S213-G216 VanDerWaalsContact O-N 3.17Å
217R51.3Low50Low130 Ų130108.2 Ų108.249%0.49156%0.557SS.*  trans-92.1133.3178.1-72.5-177.5-116.2-176.4-3.3112.4S213 D215S213-R217 PolarHBondContact OG-N 3.13Å; S213-R217 PolarHBondContact OG-O 3.22Å; D215-R217 PolarHBondContact O-N 3.19Å; D215-R217 VanDerWaalsContact O-N 3.1Å; D215-R217 IonicContact OD2-CZ 3.53Å; D215-R217 IonicContact OD2-NE 3.47Å; D215-R217 PolarHBondContact OD2-NE 2.95Å; D215-R217 IonicContact OD2-NH2 2.72Å; D215-R217 PolarHBondContact OD2-NH2 3.29Å
218Y45.1Very low50.7Low135 Ų135101.2 Ų101.253%0.52953%0.525SS..EExtended strand (participates in β ladder)trans-78.5113.9173.8-65.9-89.9000109.8I210I210-Y218 HydrophobicContact CG2-CD1 4.36Å
219N41.3Very low51.4Low75 Ų75100.1 Ų100.140%0.40152%0.515SS..EExtended strand (participates in β ladder)trans-100119.4169.7-71.3-49.8000108.7
220Y41.1Very low51.5Low131 Ų13198.8 Ų98.851%0.51451%0.511SS..EExtended strand (participates in β ladder)trans-86.9114.6172-64.6-86.7000109
221K42.1Very low51.7Low96 Ų9698.3 Ų98.342%0.41751%0.508SS..EExtended strand (participates in β ladder)trans-96.9116.4165.7-82.1178.3-174.2157.40108.6D211D211-K221 IonicContact OD2-NZ 3.46Å; D211-K221 PolarHBondContact OD2-NZ 2.84Å
222V46.2Very low51.9Low82 Ų8299.7 Ų99.750%0.49752%0.515SS..EExtended strand (participates in β ladder)trans-124.2122.2167.3-177.10000107.1A224 R225V222-A224 PolarHBondContact O-N 3.04Å; V222-R225 PolarHBondContact N-O 3.1Å; V222-R225 WeakPolarHBondContact O-CB 3.36Å; V222-R225 PolarHBondContact O-N 2.98Å; V222-R225 VanDerWaalsContact O-N 3.09Å
223N46.7Very low52.3Low136 Ų13696 Ų9673%0.72750%0.504SS*.THydrogen-bonded Turntrans54.645.7179.5-62.8-12.5000115R225N223-R225 PolarHBondContact O-N 3.47Å
224A55.2Low52.2Low102 Ų10299.2 Ų99.284%0.84352%0.517SS*.THydrogen-bonded Turntrans59.24-175.400000115.6V222V222-A224 PolarHBondContact O-N 3.04Å
225R53.2Low51.9Low104 Ų10496.6 Ų96.639%0.39249%0.487SS..EExtended strand (participates in β ladder)trans-89.1134175.2-63.8176.9176.9164-0.9109.5E43 V222 N223E43-R225 IonicContact OE2-CZ 3.02Å; E43-R225 IonicContact OE2-NE 2.8Å; E43-R225 PolarHBondContact OE2-NE 3.37Å; E43-R225 IonicContact OE2-NH2 3.95Å; V222-R225 PolarHBondContact N-O 3.1Å; V222-R225 WeakPolarHBondContact O-CB 3.36Å; V222-R225 PolarHBondContact O-N 2.98Å; V222-R225 VanDerWaalsContact O-N 3.09Å; N223-R225 PolarHBondContact O-N 3.47Å
226R64.6Low51.4Low136 Ų13695.9 Ų95.951%0.51348%0.482SS..EExtended strand (participates in β ladder)trans-88.8122.9173.4-67.5-179.6-176.4173-1.3108.1Q45 V64Q45-R226 PolarHBondContact N-O 3.48Å; V64-R226 PolarHBondContact O-NH1 3.17Å
227V62.5Low51.6Low31 Ų3198.1 Ų98.119%0.18847%0.468CS..EExtended strand (participates in β ladder)trans-105.9126.8172.5-177.20000107.3Y47Y47-V227 HydrophobicContact CE2-CG1 4.1Å
228V61Low51.6Low7 Ų795.7 Ų95.74%0.04247%0.466CS..EExtended strand (participates in β ladder)trans-109.6112.1176.3-176.80000107.8L44 Q45 L60 V64L44-V228 HydrophobicContact CD1-CG2 3.73Å; Q45-V228 PolarHBondContact O-N 3Å; L60-V228 HydrophobicContact CD2-CG1 3.84Å; V64-V228 HydrophobicContact CG1-CG2 3.44Å; V64-V228 VanDerWaalsContact CG1-CG2 3.44Å
229P58.4Low52.2Low69 Ų6992.4 Ų92.445%0.44846%0.461SS..  trans-70.8154.1169.630.6-32.3000110.2
230Y53.5Low53.1Low140 Ų14094 Ų9455%0.54947%0.466SS..  trans-63.40163.4-100.1-94.2000111.3V46 Y47 T48 W49 E56V46-Y230 HydrophobicContact CG1-CE2 4.48Å; Y47-Y230 WeakPolarHBondContact O-CD2 3.46Å; Y47-Y230 WeakPolarHBondContact O-CE2 3.03Å; T48-Y230 PolarHBondContact OG1-OH 3.4Å; W49-Y230 HydrophobicContact CE3-CE2 4.45Å; W49-Y230 HydrophobicContact CZ3-CD1 4.39Å; W49-Y230 AromaticContact CZ3-CD2 4Å; W49-Y230 HydrophobicContact CZ3-CD2 4Å; W49-Y230 HydrophobicContact CZ3-CE1 4.4Å; W49-Y230 HydrophobicContact CZ3-CE2 4.02Å; W49-Y230 HydrophobicContact CZ3-CG 4.16Å; E56-Y230 WeakPolarHBondContact CG-OH 3.16Å; E56-Y230 WeakPolarHBondContact OE1-CE1 3.15Å; E56-Y230 PolarHBondContact OE1-OH 2.79Å; E56-Y230 PolarHBondContact OE2-OH 3.43Å

Retrieved 230 of 230 residues in 37.4 ms (Link to these results)

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