A0A077Z9P9_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z9P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M35.2Very low75.8Confident230 Ų23080.7 Ų80.7100%1.13343%0.427SS*.  0110.80-159.2167.7172.200104.7A3M1-A3 PolarHBondContact O-N 2.82Å
2A47.4Very low77.3Confident37 Ų3780.4 Ų80.431%0.30643%0.426SS..  trans-54.1135.7170.600000106.3Q4 E6A2-Q4 PolarHBondContact O-N 2.9Å; A2-E6 HydrophobicContact CB-CB 4.29Å; A2-E6 WeakPolarHBondContact CB-OE2 3.45Å
3A55Low78.5Confident69 Ų6986.6 Ų86.657%0.5745%0.447SS*.  trans-51.4144.1170.200000106.7M1 D5 E6M1-A3 PolarHBondContact O-N 2.82Å; A3-D5 PolarHBondContact O-N 3.24Å; A3-E6 PolarHBondContact O-N 3.23Å; A3-E6 VanDerWaalsContact O-N 3.12Å
4Q59.6Low79.8Confident156 Ų15690.5 Ų90.573%0.72945%0.453SS*.THydrogen-bonded Turntrans-59.916.1-173.3-111.1178.4-1400115.4A2 G35A2-Q4 PolarHBondContact O-N 2.9Å; Q4-G35 VanDerWaalsContact O-CA 3.28Å; Q4-G35 WeakPolarHBondContact O-CA 3.33Å
5D70.2Confident81Confident66 Ų6684.9 Ų84.935%0.35343%0.425SS..THydrogen-bonded Turntrans-149.56.1-150.2-113.124.5000110.2A3 W89 N91 K112A3-D5 PolarHBondContact O-N 3.24Å; D5-W89 PolarHBondContact O-NE1 2.83Å; D5-W89 VanDerWaalsContact O-NE1 3.14Å; D5-N91 PolarHBondContact OD1-ND2 2.62Å; D5-N91 PolarHBondContact OD2-ND2 3.43Å; D5-K112 VanDerWaalsContact O-CD 3.28Å; D5-K112 WeakPolarHBondContact O-CD 3.31Å; D5-K112 PolarHBondContact O-NZ 3.41Å; D5-K112 IonicContact OD1-NZ 3.2Å; D5-K112 IonicContact OD2-NZ 2.74Å; D5-K112 PolarHBondContact OD2-NZ 3.3Å
6E85Confident82Confident68 Ų6881.8 Ų81.832%0.31841%0.413SS..  trans-108.3130.2-178.9-176.9-177.5-179.800110.7A2 A3 K8 W89A2-E6 HydrophobicContact CB-CB 4.29Å; A2-E6 WeakPolarHBondContact CB-OE2 3.45Å; A3-E6 PolarHBondContact O-N 3.23Å; A3-E6 VanDerWaalsContact O-N 3.12Å; E6-K8 PolarHBondContact O-N 3.4Å; E6-W89 HydrophobicContact CB-CZ2 4.14Å; E6-W89 HydrophobicContact CG-CH2 3.98Å; E6-W89 HydrophobicContact CG-CZ2 3.7Å
7V94.1Very high82.9Confident1 Ų176.9 Ų76.91%0.00639%0.389CS..  trans-69.5115.3169.8172.40000109.1L31 V39 W89V7-L31 HydrophobicContact CG1-CB 3.99Å; V7-L31 HydrophobicContact CG1-CD2 4.47Å; V7-V39 HydrophobicContact CG2-CG1 3.72Å; V7-W89 HydrophobicContact CB-CD2 3.89Å; V7-W89 HydrophobicContact CB-CE3 4.12Å; V7-W89 HydrophobicContact CB-CG 4.24Å; V7-W89 HydrophobicContact CG2-CB 4.05Å; V7-W89 HydrophobicContact CG2-CD2 3.72Å; V7-W89 HydrophobicContact CG2-CE3 4.36Å; V7-W89 HydrophobicContact CG2-CG 3.53Å
8K95.4Very high83.7Confident88 Ų8876.4 Ų76.438%0.38339%0.387SS..EExtended strand (participates in β ladder)trans-78.1149174.9-64.7-178.5-173.1171.20109.8E6 L31 T32 D34E6-K8 PolarHBondContact O-N 3.4Å; K8-L31 WeakPolarHBondContact O-CA 3.24Å; K8-T32 PolarHBondContact N-O 3.09Å; K8-T32 PolarHBondContact O-N 3.36Å; K8-D34 VanDerWaalsContact CD-OD2 3.29Å; K8-D34 WeakPolarHBondContact CD-OD2 3.35Å; K8-D34 WeakPolarHBondContact CE-OD2 3.33Å; K8-D34 IonicContact NZ-OD2 2.77Å; K8-D34 PolarHBondContact NZ-OD2 3.45Å
9T97Very high84.3Confident5 Ų574.3 Ų74.33%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-129.8142.1179.865.40000111.3P11 D12 R30 L31 I87 K114 I116T9-P11 CarbonylContact C-O 3.33Å; T9-P11 VanDerWaalsContact C-O 3.25Å; T9-P11 WeakPolarHBondContact CB-O 3.48Å; T9-P11 CarbonylContact O-C 3.53Å; T9-P11 VanDerWaalsContact O-C 3.3Å; T9-P11 PolarHBondContact OG1-O 3.23Å; T9-D12 VanDerWaalsContact O-CA 3.3Å; T9-D12 WeakPolarHBondContact O-CA 3.35Å; T9-D12 PolarHBondContact O-N 2.88Å; T9-D12 WeakPolarHBondContact OG1-CA 3.45Å; T9-D12 PolarHBondContact OG1-O 2.81Å; T9-R30 CarbonylContact C-O 3.58Å; T9-R30 VanDerWaalsContact CA-O 3.23Å; T9-R30 WeakPolarHBondContact CA-O 3.47Å; T9-L31 HydrophobicContact CG2-CD2 3.61Å; T9-I87 HydrophobicContact CG2-CD1 3.76Å; T9-K114 HydrophobicContact CG2-CD 3.94Å; T9-K114 WeakPolarHBondContact OG1-CE 3.29Å; T9-K114 PolarHBondContact OG1-NZ 3.01Å; T9-I116 HydrophobicContact CG2-CD1 4.15Å; T9-I116 WeakPolarHBondContact OG1-CD1 3.39Å
10Q97.5Very high85Confident121 Ų12175.1 Ų75.157%0.56539%0.393SS*.EExtended strand (participates in β ladder)trans-126.2107.8170.8-64.5177.4-24.800108I29 R30Q10-I29 WeakPolarHBondContact O-CA 3.46Å; Q10-R30 HydrophobicContact CB-CB 4.2Å; Q10-R30 PolarHBondContact N-O 2.93Å; Q10-R30 PolarHBondContact O-N 2.94Å
11P97.1Very high85.5Confident47 Ų4772.2 Ų72.231%0.30538%0.377SS..SBendcis-71.9159.82.532-36.8000114.4T9 R14 F15T9-P11 CarbonylContact C-O 3.33Å; T9-P11 VanDerWaalsContact C-O 3.25Å; T9-P11 WeakPolarHBondContact CB-O 3.48Å; T9-P11 CarbonylContact O-C 3.53Å; T9-P11 VanDerWaalsContact O-C 3.3Å; T9-P11 PolarHBondContact OG1-O 3.23Å; P11-R14 VanDerWaalsContact CB-O 3.23Å; P11-R14 WeakPolarHBondContact CB-O 3.28Å; P11-R14 WeakPolarHBondContact CG-O 3.48Å; P11-F15 HydrophobicContact CG-CB 4.36Å; P11-F15 HydrophobicContact CG-CD2 3.52Å; P11-F15 HydrophobicContact CG-CE2 4.22Å; P11-F15 HydrophobicContact CG-CG 4.29Å
12D94.7Very high88.4Confident77 Ų7765.2 Ų65.241%0.41235%0.351SS..SBendtrans-89-49-169.6-175.156.3000114.5T9 K114T9-D12 VanDerWaalsContact O-CA 3.3Å; T9-D12 WeakPolarHBondContact O-CA 3.35Å; T9-D12 PolarHBondContact O-N 2.88Å; T9-D12 WeakPolarHBondContact OG1-CA 3.45Å; T9-D12 PolarHBondContact OG1-O 2.81Å; D12-K114 VanDerWaalsContact O-CE 3.25Å; D12-K114 WeakPolarHBondContact O-CE 3.3Å; D12-K114 WeakPolarHBondContact OD1-CE 3.27Å; D12-K114 IonicContact OD1-NZ 2.62Å; D12-K114 PolarHBondContact OD1-NZ 3.16Å
13K92Very high90.7Very high161 Ų16170.6 Ų70.670%0.737%0.367SS*.SBendtrans-113.8-29-171.2-60-175.7-179.7178.30114.1T117K13-T117 PolarHBondContact O-N 2.92Å; K13-T117 VanDerWaalsContact O-N 3.14Å
14R96.5Very high92.8Very high141 Ų14172.1 Ų72.153%0.53237%0.366SS..EExtended strand (participates in β ladder)trans-140.7132-171.9-174.2-176.477.4-179.8-2.8110.6P11 S16 T117 H119P11-R14 VanDerWaalsContact CB-O 3.23Å; P11-R14 WeakPolarHBondContact CB-O 3.28Å; P11-R14 WeakPolarHBondContact CG-O 3.48Å; R14-S16 PolarHBondContact NE-OG 2.76Å; R14-S16 VanDerWaalsContact NE-OG 3.16Å; R14-T117 CarbonylContact C-O 3.57Å; R14-T117 VanDerWaalsContact CA-O 3.26Å; R14-T117 WeakPolarHBondContact CA-O 3.33Å; R14-H119 VanDerWaalsContact CD-CB 3.49Å; R14-H119 HydrophobicContact CG-CB 3.61Å
15F98Very high94.6Very high6 Ų665.6 Ų65.63%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-108.9121.4170.6-161.3-84.2000108.8P11 F17 Y27 I29 V70 F85 I116 T117 I118 H119P11-F15 HydrophobicContact CG-CB 4.36Å; P11-F15 HydrophobicContact CG-CD2 3.52Å; P11-F15 HydrophobicContact CG-CE2 4.22Å; P11-F15 HydrophobicContact CG-CG 4.29Å; F15-F17 HydrophobicContact CD1-CD2 4.28Å; F15-F17 HydrophobicContact CD1-CE1 4.38Å; F15-F17 AromaticContact CD1-CE2 3.74Å; F15-F17 HydrophobicContact CD1-CE2 3.74Å; F15-F17 AromaticContact CD1-CZ 3.79Å; F15-F17 HydrophobicContact CD1-CZ 3.79Å; F15-F17 HydrophobicContact CE1-CD1 4.45Å; F15-F17 AromaticContact CE1-CE1 3.77Å; F15-F17 HydrophobicContact CE1-CE1 3.77Å; F15-F17 AromaticContact CE1-CE2 3.93Å; F15-F17 HydrophobicContact CE1-CE2 3.93Å; F15-F17 AromaticContact CE1-CZ 3.47Å; F15-F17 HydrophobicContact CE1-CZ 3.47Å; F15-F17 VanDerWaalsContact CE1-CZ 3.47Å; F15-Y27 HydrophobicContact CE1-CD2 4.29Å; F15-Y27 HydrophobicContact CE1-CG 4.39Å; F15-Y27 VanDerWaalsContact CZ-CB 3.49Å; F15-Y27 HydrophobicContact CZ-CG 4.36Å; F15-I29 HydrophobicContact CD2-CB 4.4Å; F15-I29 HydrophobicContact CE2-CB 3.97Å; F15-V70 HydrophobicContact CE1-CB 4.23Å; F15-V70 HydrophobicContact CE1-CG1 4.19Å; F15-V70 HydrophobicContact CE2-CG2 4.07Å; F15-V70 HydrophobicContact CZ-CB 3.81Å; F15-V70 HydrophobicContact CZ-CG1 4.23Å; F15-V70 HydrophobicContact CZ-CG2 3.78Å; F15-F85 HydrophobicContact CB-CD2 4.39Å; F15-F85 HydrophobicContact CB-CE2 3.75Å; F15-F85 HydrophobicContact CB-CZ 4.25Å; F15-F85 AromaticContact CD1-CE2 3.93Å; F15-F85 HydrophobicContact CD1-CE2 3.93Å; F15-F85 AromaticContact CD1-CZ 3.92Å; F15-F85 HydrophobicContact CD1-CZ 3.92Å; F15-F85 AromaticContact CD2-CE2 3.63Å; F15-F85 HydrophobicContact CD2-CE2 3.63Å; F15-F85 HydrophobicContact CD2-CZ 4.43Å; F15-F85 HydrophobicContact CE1-CE2 4.41Å; F15-F85 HydrophobicContact CE1-CZ 4.35Å; F15-F85 HydrophobicContact CE2-CE2 4.16Å; F15-F85 HydrophobicContact CG-CD2 4.47Å; F15-F85 AromaticContact CG-CE2 3.49Å; F15-F85 HydrophobicContact CG-CE2 3.49Å; F15-F85 VanDerWaalsContact CG-CE2 3.49Å; F15-F85 AromaticContact CG-CZ 3.95Å; F15-F85 HydrophobicContact CG-CZ 3.95Å; F15-F85 HydrophobicContact CZ-CE2 4.49Å; F15-I116 HydrophobicContact CB-CG2 4.04Å; F15-T117 PolarHBondContact N-O 2.79Å; F15-I118 CarbonylContact O-C 3.5Å; F15-I118 WeakPolarHBondContact O-CA 3.4Å; F15-H119 PolarHBondContact O-N 3.19Å
16S97.3Very high96Very high35 Ų3566.8 Ų66.825%0.24535%0.345CS..EExtended strand (participates in β ladder)trans-108128.9-173.2-68.30000111.8R14 H119R14-S16 PolarHBondContact NE-OG 2.76Å; R14-S16 VanDerWaalsContact NE-OG 3.16Å; S16-H119 CarbonylContact C-O 3.25Å; S16-H119 VanDerWaalsContact CA-O 3.24Å; S16-H119 WeakPolarHBondContact CA-O 3.31Å
17F97.8Very high96.6Very high0 Ų067.8 Ų67.80%035%0.346CS..EExtended strand (participates in β ladder)trans-104.1142.5163.7-64.6-80.3000108.2F15 Y21 Q25 Y27 I51 V70 L72 I118 H119 Y120 N121F15-F17 HydrophobicContact CD1-CD2 4.28Å; F15-F17 HydrophobicContact CD1-CE1 4.38Å; F15-F17 AromaticContact CD1-CE2 3.74Å; F15-F17 HydrophobicContact CD1-CE2 3.74Å; F15-F17 AromaticContact CD1-CZ 3.79Å; F15-F17 HydrophobicContact CD1-CZ 3.79Å; F15-F17 HydrophobicContact CE1-CD1 4.45Å; F15-F17 AromaticContact CE1-CE1 3.77Å; F15-F17 HydrophobicContact CE1-CE1 3.77Å; F15-F17 AromaticContact CE1-CE2 3.93Å; F15-F17 HydrophobicContact CE1-CE2 3.93Å; F15-F17 AromaticContact CE1-CZ 3.47Å; F15-F17 HydrophobicContact CE1-CZ 3.47Å; F15-F17 VanDerWaalsContact CE1-CZ 3.47Å; F17-Y21 HydrophobicContact CB-CE1 4.13Å; F17-Q25 HydrophobicContact CD1-CB 4.15Å; F17-Y27 AromaticContact CD1-CD2 3.6Å; F17-Y27 HydrophobicContact CD1-CD2 3.6Å; F17-Y27 AromaticContact CD1-CE2 3.61Å; F17-Y27 HydrophobicContact CD1-CE2 3.61Å; F17-Y27 AromaticContact CE1-CD2 3.64Å; F17-Y27 HydrophobicContact CE1-CD2 3.64Å; F17-Y27 HydrophobicContact CE1-CE2 4.14Å; F17-I51 HydrophobicContact CE2-CD1 4.31Å; F17-I51 HydrophobicContact CE2-CG1 4.4Å; F17-I51 HydrophobicContact CZ-CG1 4.45Å; F17-V70 HydrophobicContact CZ-CG1 3.86Å; F17-L72 HydrophobicContact CB-CD2 3.67Å; F17-L72 HydrophobicContact CD1-CB 3.59Å; F17-L72 HydrophobicContact CD1-CD2 3.57Å; F17-L72 HydrophobicContact CD1-CG 4.21Å; F17-L72 HydrophobicContact CD2-CD2 3.99Å; F17-L72 HydrophobicContact CE1-CB 3.33Å; F17-L72 HydrophobicContact CE1-CD2 4.18Å; F17-L72 HydrophobicContact CE1-CG 4.35Å; F17-L72 HydrophobicContact CE2-CB 4.34Å; F17-L72 HydrophobicContact CG-CB 4.22Å; F17-L72 HydrophobicContact CG-CD2 3.48Å; F17-L72 VanDerWaalsContact CG-CD2 3.48Å; F17-L72 HydrophobicContact CG-CG 4.42Å; F17-L72 HydrophobicContact CZ-CB 3.75Å; F17-I118 HydrophobicContact CD2-CG2 3.65Å; F17-I118 HydrophobicContact CE2-CG2 3.83Å; F17-H119 PolarHBondContact N-O 3.06Å; F17-Y120 HydrophobicContact CB-CD1 4.33Å; F17-Y120 HydrophobicContact CD2-CE1 4.25Å; F17-N121 PolarHBondContact O-N 3.36Å
18N96.9Very high96.8Very high67 Ų6770.2 Ų70.236%0.35837%0.366SS..EExtended strand (participates in β ladder)trans-112137.3-177.4-60.8-73.3000109.7Q25 N121N18-Q25 VanDerWaalsContact O-CD 3.28Å; N18-Q25 PolarHBondContact O-NE2 2.64Å; N18-Q25 PolarHBondContact O-OE1 3.49Å; N18-N121 CarbonylContact C-O 3.52Å; N18-N121 WeakPolarHBondContact OD1-CB 3.27Å; N18-N121 PolarHBondContact OD1-ND2 2.7Å
19A96Very high96.9Very high36 Ų3666 Ų6630%0.29835%0.348SS..SBendtrans-55.4149.5172.200000111Y21 N121 L122A19-Y21 HydrophobicContact CB-CE2 4.05Å; A19-N121 PolarHBondContact N-O 2.86Å; A19-L122 WeakPolarHBondContact CB-OXT 2.94Å
20P96.6Very high97Very high90 Ų9070.5 Ų70.558%0.58436%0.364SS*.  cis-84.5145.55.933.6-35.2000114S22 Q25P20-S22 VanDerWaalsContact C-N 3.28Å; P20-S22 PolarHBondContact O-N 2.8Å; P20-Q25 PolarHBondContact O-NE2 3.37Å
21Y97Very high97Very high15 Ų1564.7 Ų64.76%0.05934%0.338CS..THydrogen-bonded Turntrans-90.920.1176.6-46.1-64.1000113.6F17 A19 K23 L72 P74 F75 F77 Y120 N121 L122F17-Y21 HydrophobicContact CB-CE1 4.13Å; A19-Y21 HydrophobicContact CB-CE2 4.05Å; Y21-K23 VanDerWaalsContact C-N 3.34Å; Y21-L72 HydrophobicContact CD1-CD2 3.98Å; Y21-P74 VanDerWaalsContact O-CA 3.27Å; Y21-P74 WeakPolarHBondContact O-CA 3.37Å; Y21-F75 HydrophobicContact CD1-CE1 4.13Å; Y21-F75 HydrophobicContact CD2-CE1 4.45Å; Y21-F75 AromaticContact CG-CE1 3.83Å; Y21-F75 HydrophobicContact CG-CE1 3.83Å; Y21-F75 HydrophobicContact CG-CZ 4.35Å; Y21-F75 PolarHBondContact O-N 2.9Å; Y21-F77 HydrophobicContact CD2-CB 3.58Å; Y21-F77 HydrophobicContact CD2-CD2 4.22Å; Y21-F77 HydrophobicContact CD2-CG 4.08Å; Y21-F77 HydrophobicContact CE2-CB 3.88Å; Y21-F77 AromaticContact CE2-CD2 3.78Å; Y21-F77 HydrophobicContact CE2-CD2 3.78Å; Y21-F77 AromaticContact CE2-CG 3.85Å; Y21-F77 HydrophobicContact CE2-CG 3.85Å; Y21-Y120 HydrophobicContact CD1-CD1 4.38Å; Y21-Y120 AromaticContact CE1-CD1 3.85Å; Y21-Y120 HydrophobicContact CE1-CD1 3.85Å; Y21-Y120 AromaticContact CZ-CD1 4Å; Y21-Y120 VanDerWaalsContact OH-CA 3.27Å; Y21-Y120 WeakPolarHBondContact OH-CA 3.31Å; Y21-Y120 VanDerWaalsContact OH-CB 3.3Å; Y21-Y120 WeakPolarHBondContact OH-CB 3.35Å; Y21-N121 PolarHBondContact OH-N 3.14Å; Y21-N121 PolarHBondContact OH-O 3.12Å; Y21-L122 HydrophobicContact CE2-CD2 3.99Å
22S95.9Very high97Very high84 Ų8463.4 Ų63.459%0.58733%0.329SS*.THydrogen-bonded Turntrans-890.8-179.357.20000113.9P20P20-S22 VanDerWaalsContact C-N 3.28Å; P20-S22 PolarHBondContact O-N 2.8Å
23K96.1Very high96.9Very high150 Ų15059.8 Ų59.865%0.65231%0.309SS*.SBendtrans-138158.1-179.7-64.4-176.3-178.7179.50109.3Y21 Q25Y21-K23 VanDerWaalsContact C-N 3.34Å; K23-Q25 PolarHBondContact O-N 3.12Å
24D98.1Very high96.9Very high101 Ų10156 Ų5654%0.5430%0.297SS..  trans-55.5132.6168.8-70-20.5000109.8T71 L72 P74D24-T71 HydrophobicContact CB-CG2 4.4Å; D24-L72 CarbonylContact C-O 3.54Å; D24-L72 VanDerWaalsContact CA-O 3.31Å; D24-L72 WeakPolarHBondContact CA-O 3.49Å; D24-P74 WeakPolarHBondContact OD1-CD 3.17Å
25Q98.3Very high96.6Very high19 Ų1949.4 Ų49.49%0.08927%0.273CS..EExtended strand (participates in β ladder)trans-116.6123.7170.5-58-176.122.500109F17 N18 P20 K23 Y27 T71 L72F17-Q25 HydrophobicContact CD1-CB 4.15Å; N18-Q25 VanDerWaalsContact O-CD 3.28Å; N18-Q25 PolarHBondContact O-NE2 2.64Å; N18-Q25 PolarHBondContact O-OE1 3.49Å; P20-Q25 PolarHBondContact O-NE2 3.37Å; K23-Q25 PolarHBondContact O-N 3.12Å; Q25-Y27 HydrophobicContact CB-CD2 4.32Å; Q25-Y27 HydrophobicContact CB-CE2 3.83Å; Q25-T71 CarbonylContact O-C 3.57Å; Q25-T71 WeakPolarHBondContact O-CA 3.45Å; Q25-L72 HydrophobicContact CB-CB 4.35Å; Q25-L72 PolarHBondContact N-O 2.88Å; Q25-L72 PolarHBondContact O-N 3.34Å
26V98.3Very high96.2Very high91 Ų9153.9 Ų53.955%0.55230%0.302SS*.EExtended strand (participates in β ladder)trans-114.2120.6-176.1-174.50000108.8T69 T71V26-T69 HydrophobicContact CG1-CG2 3.37Å; V26-T71 HydrophobicContact CG2-CG2 4.25Å
27Y98Very high96Very high88 Ų8856.3 Ų56.335%0.34531%0.308SS..EExtended strand (participates in β ladder)trans-131.2-177.4176.8-67.3-73.3000109.4F15 F17 Q25 T69 V70F15-Y27 HydrophobicContact CE1-CD2 4.29Å; F15-Y27 HydrophobicContact CE1-CG 4.39Å; F15-Y27 VanDerWaalsContact CZ-CB 3.49Å; F15-Y27 HydrophobicContact CZ-CG 4.36Å; F17-Y27 AromaticContact CD1-CD2 3.6Å; F17-Y27 HydrophobicContact CD1-CD2 3.6Å; F17-Y27 AromaticContact CD1-CE2 3.61Å; F17-Y27 HydrophobicContact CD1-CE2 3.61Å; F17-Y27 AromaticContact CE1-CD2 3.64Å; F17-Y27 HydrophobicContact CE1-CD2 3.64Å; F17-Y27 HydrophobicContact CE1-CE2 4.14Å; Q25-Y27 HydrophobicContact CB-CD2 4.32Å; Q25-Y27 HydrophobicContact CB-CE2 3.83Å; Y27-T69 CarbonylContact O-C 3.58Å; Y27-T69 WeakPolarHBondContact O-CA 3.38Å; Y27-V70 PolarHBondContact N-O 3.4Å; Y27-V70 PolarHBondContact O-N 2.88Å
28A98.1Very high95.8Very high52 Ų5256.9 Ų56.943%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-134146173.600000110.7V68A28-V68 WeakPolarHBondContact CA-O 3.3Å
29I98.4Very high95.8Very high0 Ų053.7 Ų53.70%030%0.295CS..EExtended strand (participates in β ladder)trans-111.4130.1162.2-175.5168.3000108.3Q10 F15 L31 I43 V68 V70 F85 I87 I116Q10-I29 WeakPolarHBondContact O-CA 3.46Å; F15-I29 HydrophobicContact CD2-CB 4.4Å; F15-I29 HydrophobicContact CE2-CB 3.97Å; I29-L31 HydrophobicContact CD1-CD2 4.37Å; I29-L31 HydrophobicContact CG1-CD2 4.29Å; I29-I43 HydrophobicContact CG2-CD1 4.06Å; I29-V68 HydrophobicContact CG2-CB 3.88Å; I29-V68 PolarHBondContact N-O 2.94Å; I29-V68 PolarHBondContact O-N 3.19Å; I29-V70 HydrophobicContact CB-CG2 4.39Å; I29-V70 HydrophobicContact CG2-CG2 3.82Å; I29-F85 HydrophobicContact CD1-CD2 4.34Å; I29-I87 HydrophobicContact CD1-CD1 3.99Å; I29-I116 HydrophobicContact CD1-CD1 3.38Å
30R98.4Very high95.8Very high99 Ų9952 Ų5237%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-92.4130.7172.7-169.8176-174.7-165.20.9109.5T9 Q10 S65 T66 N67T9-R30 CarbonylContact C-O 3.58Å; T9-R30 VanDerWaalsContact CA-O 3.23Å; T9-R30 WeakPolarHBondContact CA-O 3.47Å; Q10-R30 HydrophobicContact CB-CB 4.2Å; Q10-R30 PolarHBondContact N-O 2.93Å; Q10-R30 PolarHBondContact O-N 2.94Å; R30-S65 PolarHBondContact NE-OG 3.02Å; R30-S65 VanDerWaalsContact NE-OG 3.09Å; R30-S65 PolarHBondContact NH2-OG 2.95Å; R30-T66 CarbonylContact C-O 3.49Å; R30-T66 WeakPolarHBondContact CA-O 3.18Å; R30-N67 VanDerWaalsContact CB-OD1 3.31Å; R30-N67 WeakPolarHBondContact CB-OD1 3.28Å; R30-N67 WeakPolarHBondContact CG-OD1 3.41Å
31L97.8Very high95.8Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-105.5131.1168.4-50.5-177.4000108V7 K8 T9 I29 W41 S65 T66 V68 I87V7-L31 HydrophobicContact CG1-CB 3.99Å; V7-L31 HydrophobicContact CG1-CD2 4.47Å; K8-L31 WeakPolarHBondContact O-CA 3.24Å; T9-L31 HydrophobicContact CG2-CD2 3.61Å; I29-L31 HydrophobicContact CD1-CD2 4.37Å; I29-L31 HydrophobicContact CG1-CD2 4.29Å; L31-W41 HydrophobicContact CD1-CD2 3.6Å; L31-W41 HydrophobicContact CD1-CE3 3.53Å; L31-W41 HydrophobicContact CD1-CG 4.15Å; L31-W41 HydrophobicContact CD1-CH2 4.26Å; L31-W41 HydrophobicContact CD1-CZ2 4.31Å; L31-W41 HydrophobicContact CD1-CZ3 3.88Å; L31-S65 CarbonylContact O-C 3.56Å; L31-S65 WeakPolarHBondContact O-CA 3.41Å; L31-S65 WeakPolarHBondContact O-CB 3.23Å; L31-T66 HydrophobicContact CB-CG2 4.07Å; L31-T66 HydrophobicContact CD1-CG2 4.46Å; L31-T66 HydrophobicContact CG-CG2 4.49Å; L31-T66 PolarHBondContact N-O 3.37Å; L31-T66 PolarHBondContact O-N 3Å; L31-V68 HydrophobicContact CD1-CG2 4.3Å; L31-I87 HydrophobicContact CD2-CD1 3.9Å
32T96.5Very high95.9Very high20 Ų2047.8 Ų47.812%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-129.2129.1178.8-61.70000109.6K8 D34 S65K8-T32 PolarHBondContact N-O 3.09Å; K8-T32 PolarHBondContact O-N 3.36Å; T32-D34 VanDerWaalsContact CG2-OD1 3.25Å; T32-D34 WeakPolarHBondContact CG2-OD1 3.39Å; T32-S65 WeakPolarHBondContact OG1-CB 3.46Å
33D93.6Very high96Very high1 Ų143.8 Ų43.81%0.00523%0.227CC..  trans-99.8116.8166.1172.640.4000108.4G35 V39 L60 P62 T63 E64D33-G35 WeakPolarHBondContact OD1-CA 3.33Å; D33-G35 PolarHBondContact OD1-N 3.47Å; D33-V39 HydrophobicContact CB-CG2 4.17Å; D33-L60 HydrophobicContact CB-CD2 3.63Å; D33-L60 HydrophobicContact CB-CG 4.29Å; D33-P62 WeakPolarHBondContact OD2-CA 3.45Å; D33-T63 CarbonylContact O-C 3.55Å; D33-T63 WeakPolarHBondContact O-CA 3.37Å; D33-T63 PolarHBondContact O-N 3.16Å; D33-T63 VanDerWaalsContact O-N 3.09Å; D33-E64 PolarHBondContact N-O 2.95Å; D33-E64 PolarHBondContact O-N 2.95Å
34D90.7Very high96.1Very high82 Ų8242 Ų4244%0.43922%0.221SC..  trans-1009.1173.5-70.9-26.8000111.5K8 T32K8-D34 VanDerWaalsContact CD-OD2 3.29Å; K8-D34 WeakPolarHBondContact CD-OD2 3.35Å; K8-D34 WeakPolarHBondContact CE-OD2 3.33Å; K8-D34 IonicContact NZ-OD2 2.77Å; K8-D34 PolarHBondContact NZ-OD2 3.45Å; T32-D34 VanDerWaalsContact CG2-OD1 3.25Å; T32-D34 WeakPolarHBondContact CG2-OD1 3.39Å
35G90.5Very high96.1Very high2 Ų238 Ų382%0.02120%0.201CC..SBendtrans-80.2167-179.600000113.3Q4 D33 K37Q4-G35 VanDerWaalsContact O-CA 3.28Å; Q4-G35 WeakPolarHBondContact O-CA 3.33Å; D33-G35 WeakPolarHBondContact OD1-CA 3.33Å; D33-G35 PolarHBondContact OD1-N 3.47Å; G35-K37 VanDerWaalsContact C-N 3.31Å
36P91Very high96.1Very high99 Ų9940.5 Ų40.564%0.64322%0.217SC*.SBendtrans-81.2-11.317733.2-35.3000113.2P62P36-P62 WeakPolarHBondContact O-CG 3.38Å
37K91.9Very high96.1Very high86 Ų8636.3 Ų36.337%0.37419%0.192SC..SBendtrans-118143.6-175.3-71.2-173177.8-174.80110.4G35G35-K37 VanDerWaalsContact C-N 3.31Å
38P94.4Very high96Very high12 Ų1235.4 Ų35.48%0.07820%0.197CC..  trans-61.6155.6175.920.3-25.5000111.7Y59 L60 V92P38-Y59 HydrophobicContact CB-CE1 3.91Å; P38-Y59 HydrophobicContact CB-CE2 3.84Å; P38-Y59 WeakPolarHBondContact CB-OH 3.24Å; P38-Y59 HydrophobicContact CG-CE2 4.37Å; P38-Y59 WeakPolarHBondContact CG-OH 3.29Å; P38-L60 CarbonylContact C-O 3.56Å; P38-L60 VanDerWaalsContact CA-O 3.3Å; P38-L60 WeakPolarHBondContact CA-O 3.02Å; P38-V92 HydrophobicContact CG-CB 4.2Å; P38-V92 PolarHBondContact O-N 2.84Å
39V95.7Very high95.9Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-124.7132.6-176.7173.50000110.8V7 D33 Y59 L60 W89 I90V7-V39 HydrophobicContact CG2-CG1 3.72Å; D33-V39 HydrophobicContact CB-CG2 4.17Å; V39-Y59 CarbonylContact O-C 3.54Å; V39-Y59 WeakPolarHBondContact O-CA 3.26Å; V39-L60 PolarHBondContact N-O 2.77Å; V39-L60 PolarHBondContact O-N 2.85Å; V39-W89 HydrophobicContact CG1-CB 3.51Å; V39-W89 HydrophobicContact CG1-CG 3.91Å; V39-I90 VanDerWaalsContact CA-O 3.28Å; V39-I90 WeakPolarHBondContact CA-O 3.31Å; V39-I90 WeakPolarHBondContact CG1-O 3.47Å
40M96.7Very high95.8Very high0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-92.9135.6160-69.7-176.4-15300109.1G58 Y59 W89 I90 V92 P97 A99 F100 D101 Y104M40-G58 WeakPolarHBondContact CA-O 3.11Å; M40-Y59 HydrophobicContact CE-CD2 4.45Å; M40-Y59 HydrophobicContact CG-CD2 3.96Å; M40-W89 CarbonylContact O-C 3.55Å; M40-W89 WeakPolarHBondContact O-CA 3.3Å; M40-W89 VanDerWaalsContact O-CB 3.26Å; M40-W89 WeakPolarHBondContact O-CB 3.45Å; M40-I90 HydrophobicContact CB-CD1 4.34Å; M40-I90 HydrophobicContact CB-CG1 3.84Å; M40-I90 PolarHBondContact N-O 2.85Å; M40-I90 VanDerWaalsContact N-O 3.09Å; M40-I90 PolarHBondContact O-N 2.91Å; M40-I90 HydrophobicContact SD-CD1 4.38Å; M40-V92 HydrophobicContact CB-CG2 4.38Å; M40-V92 HydrophobicContact CE-CG1 4.29Å; M40-V92 HydrophobicContact CE-CG2 3.75Å; M40-V92 HydrophobicContact CG-CG2 3.69Å; M40-V92 HydrophobicContact SD-CG2 4.38Å; M40-P97 HydrophobicContact CE-CB 3.6Å; M40-P97 HydrophobicContact CE-CG 3.72Å; M40-A99 VanDerWaalsContact CE-O 3.23Å; M40-A99 WeakPolarHBondContact CE-O 3.22Å; M40-F100 HydrophobicContact CB-CD2 4.08Å; M40-F100 HydrophobicContact CB-CE2 4.4Å; M40-F100 HydrophobicContact CG-CD2 4.24Å; M40-F100 HydrophobicContact SD-CD2 4.33Å; M40-D101 HydrophobicContact CE-CB 4.25Å; M40-D101 HydrophobicContact SD-CB 4.35Å; M40-D101 PolarHBondContact SD-N 2.8Å; M40-D101 VanDerWaalsContact SD-N 3.38Å; M40-Y104 HydrophobicContact CE-CD1 4.2Å
41W97.1Very high95.8Very high6 Ų637.4 Ų37.42%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-132.3154.5-177.961.8-91.7000111.7L31 I43 A55 N57 G58 T66 V68 E88 W89L31-W41 HydrophobicContact CD1-CD2 3.6Å; L31-W41 HydrophobicContact CD1-CE3 3.53Å; L31-W41 HydrophobicContact CD1-CG 4.15Å; L31-W41 HydrophobicContact CD1-CH2 4.26Å; L31-W41 HydrophobicContact CD1-CZ2 4.31Å; L31-W41 HydrophobicContact CD1-CZ3 3.88Å; W41-I43 HydrophobicContact CE3-CG2 4.43Å; W41-I43 HydrophobicContact CZ3-CB 4.24Å; W41-I43 HydrophobicContact CZ3-CG2 3.71Å; W41-A55 HydrophobicContact CH2-CB 4.1Å; W41-N57 WeakPolarHBondContact CH2-O 3.3Å; W41-N57 CarbonylContact O-C 3.59Å; W41-N57 WeakPolarHBondContact O-CA 3.47Å; W41-N57 WeakPolarHBondContact O-CB 3.28Å; W41-G58 VanDerWaalsContact CD1-O 3.31Å; W41-G58 PolarHBondContact N-O 2.83Å; W41-G58 PolarHBondContact O-N 3.38Å; W41-T66 HydrophobicContact CZ2-CG2 3.8Å; W41-V68 HydrophobicContact CH2-CG2 3.53Å; W41-V68 HydrophobicContact CZ2-CG2 4.22Å; W41-V68 HydrophobicContact CZ3-CG2 4.05Å; W41-E88 CarbonylContact C-O 3.59Å; W41-E88 VanDerWaalsContact CA-O 3.22Å; W41-E88 WeakPolarHBondContact CA-O 3.4Å; W41-W89 HydrophobicContact CB-CB 4.12Å
42T98.1Very high95.8Very high12 Ų1242 Ų427%0.07422%0.224CC..EExtended strand (participates in β ladder)trans-129.2152166.665.20000109.8E56 N57 I87 E88 F100 M102 M105T42-E56 CarbonylContact C-O 3.58Å; T42-E56 VanDerWaalsContact CA-O 3.27Å; T42-E56 WeakPolarHBondContact CA-O 3.42Å; T42-N57 HydrophobicContact CG2-CB 4.14Å; T42-I87 VanDerWaalsContact O-CA 3.3Å; T42-I87 WeakPolarHBondContact O-CA 3.3Å; T42-E88 PolarHBondContact N-O 2.79Å; T42-E88 PolarHBondContact O-N 2.86Å; T42-F100 HydrophobicContact CG2-CE2 3.98Å; T42-F100 HydrophobicContact CG2-CZ 3.93Å; T42-M102 HydrophobicContact CG2-CE 4.32Å; T42-M105 HydrophobicContact CG2-CE 4.06Å; T42-M105 HydrophobicContact CG2-SD 3.75Å
43I98.4Very high95.9Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-133.6132.2171.3-172169000109.6I29 W41 F53 A55 E56 V68 F85 N86 I87I29-I43 HydrophobicContact CG2-CD1 4.06Å; W41-I43 HydrophobicContact CE3-CG2 4.43Å; W41-I43 HydrophobicContact CZ3-CB 4.24Å; W41-I43 HydrophobicContact CZ3-CG2 3.71Å; I43-F53 HydrophobicContact CD1-CD1 3.93Å; I43-F53 HydrophobicContact CD1-CE1 3.47Å; I43-F53 VanDerWaalsContact CD1-CE1 3.47Å; I43-F53 HydrophobicContact CD1-CZ 3.93Å; I43-F53 HydrophobicContact CG1-CD1 4.32Å; I43-F53 HydrophobicContact CG1-CE1 3.86Å; I43-F53 HydrophobicContact CG1-CE2 4.25Å; I43-F53 HydrophobicContact CG1-CZ 3.81Å; I43-F53 HydrophobicContact CG2-CB 4.4Å; I43-F53 HydrophobicContact CG2-CD1 4.13Å; I43-F53 HydrophobicContact CG2-CD2 4.22Å; I43-F53 HydrophobicContact CG2-CE1 4.5Å; I43-F53 HydrophobicContact CG2-CG 3.99Å; I43-A55 WeakPolarHBondContact CG2-O 3.42Å; I43-E56 PolarHBondContact N-O 2.9Å; I43-V68 HydrophobicContact CG2-CG1 4.45Å; I43-F85 HydrophobicContact CD1-CB 4.47Å; I43-F85 HydrophobicContact CD1-CD2 4.39Å; I43-F85 HydrophobicContact CG1-CB 4.45Å; I43-N86 WeakPolarHBondContact CA-O 3.25Å; I43-I87 HydrophobicContact CB-CG1 4.27Å; I43-I87 HydrophobicContact CD1-CD1 4.17Å; I43-I87 HydrophobicContact CD1-CG1 3.92Å; I43-I87 HydrophobicContact CG1-CG1 3.79Å
44Q98.2Very high96.2Very high113 Ų11345.9 Ų45.953%0.52825%0.25SC..EExtended strand (participates in β ladder)trans-137.4149.5178.1-65.5-178.9-21.300110.5F85 N86Q44-F85 CarbonylContact O-C 3.51Å; Q44-F85 VanDerWaalsContact O-CA 3.3Å; Q44-F85 WeakPolarHBondContact O-CA 3.48Å; Q44-N86 PolarHBondContact N-O 3.03Å; Q44-N86 PolarHBondContact O-N 3.09Å
45S98.3Very high96.5Very high17 Ų1743.8 Ų43.812%0.11924%0.244CC..EExtended strand (participates in β ladder)trans-102.8145172.6178.90000109.9A47 R84S45-A47 PolarHBondContact O-N 2.83Å; S45-A47 PolarHBondContact OG-N 2.88Å; S45-R84 WeakPolarHBondContact CA-O 3.09Å
46T98.2Very high96.9Very high70 Ų7048.5 Ų48.543%0.42927%0.265SS..SBendtrans-70.4-4.2166.359.50000112.9P48 D83 R84T46-P48 VanDerWaalsContact C-CD 3.47Å; T46-D83 VanDerWaalsContact OG1-CA 3.3Å; T46-D83 WeakPolarHBondContact OG1-CA 3.14Å; T46-R84 HydrophobicContact CG2-CB 4.08Å; T46-R84 PolarHBondContact N-O 2.97Å; T46-R84 PolarHBondContact OG1-N 2.78Å
47A97.6Very high97.2Very high4 Ų447 Ų473%0.03325%0.251CS..  trans-130.661.7-177.900000111.8S45 D49 R50 I51 D83S45-A47 PolarHBondContact O-N 2.83Å; S45-A47 PolarHBondContact OG-N 2.88Å; A47-D49 PolarHBondContact O-N 2.65Å; A47-R50 HydrophobicContact CB-CG 3.89Å; A47-R50 PolarHBondContact O-N 3.33Å; A47-I51 HydrophobicContact CB-CD1 4.19Å; A47-I51 PolarHBondContact O-N 3.09Å; A47-D83 HydrophobicContact CB-CB 4.24Å
48P97.1Very high97.5Very high68 Ų6843.5 Ų43.544%0.44224%0.24SC..THydrogen-bonded Turntrans-66.4-18.6-17328.6-36.5000114T46 R50 K52T46-P48 VanDerWaalsContact C-CD 3.47Å; P48-R50 VanDerWaalsContact C-N 3.32Å; P48-K52 VanDerWaalsContact O-CE 3.28Å; P48-K52 WeakPolarHBondContact O-CE 3.25Å; P48-K52 PolarHBondContact O-NZ 3.5Å
49D95.7Very high97.6Very high141 Ų14145.7 Ų45.775%0.75425%0.248SC*.THydrogen-bonded Turntrans-70.8-30.3177.8-60.5-28.9000112.4A47A47-D49 PolarHBondContact O-N 2.65Å
50R96.2Very high97.7Very high49 Ų4946 Ų4619%0.18525%0.249CC..THydrogen-bonded Turntrans-112.3-22.9-177.960.4178164-76.73.9114A47 P48 L72 N73 D83 Y120A47-R50 HydrophobicContact CB-CG 3.89Å; A47-R50 PolarHBondContact O-N 3.33Å; P48-R50 VanDerWaalsContact C-N 3.32Å; R50-L72 HydrophobicContact CB-CD1 4.07Å; R50-L72 HydrophobicContact CG-CD1 4.12Å; R50-L72 CarbonylContact O-C 3.3Å; R50-L72 VanDerWaalsContact O-CA 3.31Å; R50-L72 WeakPolarHBondContact O-CA 3.34Å; R50-N73 PolarHBondContact O-N 2.86Å; R50-D83 IonicContact CZ-OD1 2.69Å; R50-D83 IonicContact CZ-OD2 2.65Å; R50-D83 IonicContact NE-OD2 3.82Å; R50-D83 PolarHBondContact NE-OD2 3.24Å; R50-D83 IonicContact NH2-OD1 2.95Å; R50-D83 PolarHBondContact NH2-OD1 2.9Å; R50-D83 IonicContact NH2-OD2 2.62Å; R50-D83 PolarHBondContact NH2-OD2 3.03Å; R50-Y120 PolarHBondContact NE-OH 2.85Å
51I98.3Very high97.5Very high3 Ų348.7 Ų48.72%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-114124.9-179.9-67.6150.5000110.3F17 A47 F53 V70 T71 L72 F85 I118F17-I51 HydrophobicContact CE2-CD1 4.31Å; F17-I51 HydrophobicContact CE2-CG1 4.4Å; F17-I51 HydrophobicContact CZ-CG1 4.45Å; A47-I51 HydrophobicContact CB-CD1 4.19Å; A47-I51 PolarHBondContact O-N 3.09Å; I51-F53 HydrophobicContact CG2-CE1 4.38Å; I51-F53 HydrophobicContact CG2-CE2 4.26Å; I51-F53 HydrophobicContact CG2-CZ 3.99Å; I51-V70 HydrophobicContact CG2-CG1 3.74Å; I51-T71 CarbonylContact C-O 3.59Å; I51-T71 VanDerWaalsContact CA-O 3.32Å; I51-T71 WeakPolarHBondContact CA-O 3.5Å; I51-L72 HydrophobicContact CD1-CD1 4.45Å; I51-L72 HydrophobicContact CG1-CD1 3.83Å; I51-F85 HydrophobicContact CD1-CE1 4.3Å; I51-F85 HydrophobicContact CG2-CE1 3.91Å; I51-F85 HydrophobicContact CG2-CZ 4.43Å; I51-I118 HydrophobicContact CD1-CD1 3.28Å
52K98.3Very high97.3Very high96 Ų9650.5 Ų50.542%0.41728%0.279SS..EExtended strand (participates in β ladder)trans-119.3147.2175.9-60.4-58.4-173.7-1690110.6P48 V70 T71P48-K52 VanDerWaalsContact O-CE 3.28Å; P48-K52 WeakPolarHBondContact O-CE 3.25Å; P48-K52 PolarHBondContact O-NZ 3.5Å; K52-V70 WeakPolarHBondContact O-CA 3.33Å; K52-T71 PolarHBondContact N-O 3.4Å; K52-T71 PolarHBondContact O-N 3.1Å
53F98.7Very high97Very high22 Ų2255 Ų5510%0.09631%0.307CS..EExtended strand (participates in β ladder)trans-110.8146.7174.5-58.4-78.6000109.9I43 I51 A55 E56 V68 T69 V70 F85I43-F53 HydrophobicContact CD1-CD1 3.93Å; I43-F53 HydrophobicContact CD1-CE1 3.47Å; I43-F53 VanDerWaalsContact CD1-CE1 3.47Å; I43-F53 HydrophobicContact CD1-CZ 3.93Å; I43-F53 HydrophobicContact CG1-CD1 4.32Å; I43-F53 HydrophobicContact CG1-CE1 3.86Å; I43-F53 HydrophobicContact CG1-CE2 4.25Å; I43-F53 HydrophobicContact CG1-CZ 3.81Å; I43-F53 HydrophobicContact CG2-CB 4.4Å; I43-F53 HydrophobicContact CG2-CD1 4.13Å; I43-F53 HydrophobicContact CG2-CD2 4.22Å; I43-F53 HydrophobicContact CG2-CE1 4.5Å; I43-F53 HydrophobicContact CG2-CG 3.99Å; I51-F53 HydrophobicContact CG2-CE1 4.38Å; I51-F53 HydrophobicContact CG2-CE2 4.26Å; I51-F53 HydrophobicContact CG2-CZ 3.99Å; F53-A55 WeakPolarHBondContact CB-O 3.47Å; F53-A55 PolarHBondContact O-N 2.62Å; F53-E56 HydrophobicContact CB-CG 4.16Å; F53-E56 HydrophobicContact CD2-CG 4.32Å; F53-V68 HydrophobicContact CB-CG1 3.8Å; F53-V68 HydrophobicContact CD1-CG1 3.83Å; F53-V68 HydrophobicContact CG-CG1 4.24Å; F53-T69 CarbonylContact C-O 3.51Å; F53-T69 VanDerWaalsContact CA-O 3.29Å; F53-T69 WeakPolarHBondContact CA-O 3.4Å; F53-V70 HydrophobicContact CD1-CB 4.49Å; F53-V70 HydrophobicContact CD1-CG1 4.32Å; F53-V70 HydrophobicContact CD1-CG2 3.91Å; F53-V70 HydrophobicContact CE1-CB 4.5Å; F53-V70 HydrophobicContact CE1-CG1 4Å; F53-V70 HydrophobicContact CE1-CG2 3.88Å; F53-F85 HydrophobicContact CE1-CD1 4.23Å; F53-F85 HydrophobicContact CE1-CD2 4.41Å; F53-F85 HydrophobicContact CE1-CE1 4.11Å; F53-F85 HydrophobicContact CE1-CE2 4.29Å; F53-F85 HydrophobicContact CE1-CG 4.41Å; F53-F85 HydrophobicContact CE1-CZ 4.18Å; F53-F85 AromaticContact CZ-CD1 3.66Å; F53-F85 HydrophobicContact CZ-CD1 3.66Å; F53-F85 AromaticContact CZ-CE1 3.78Å; F53-F85 HydrophobicContact CZ-CE1 3.78Å; F53-F85 HydrophobicContact CZ-CG 4.11Å; F53-F85 HydrophobicContact CZ-CZ 4.31Å
54S98.3Very high96.9Very high82 Ų8259.9 Ų59.957%0.57333%0.329SS*.SBendtrans-67.7-24170.656.70000113T69S54-T69 PolarHBondContact N-O 3.14Å; S54-T69 PolarHBondContact OG-N 3.37Å
55A98.2Very high96.8Very high38 Ų3856.3 Ų56.331%0.31432%0.317SS..  trans-148.2129.2173.300000108.5W41 I43 F53 V68W41-A55 HydrophobicContact CH2-CB 4.1Å; I43-A55 WeakPolarHBondContact CG2-O 3.42Å; F53-A55 WeakPolarHBondContact CB-O 3.47Å; F53-A55 PolarHBondContact O-N 2.62Å; A55-V68 VanDerWaalsContact O-CG1 3.31Å; A55-V68 WeakPolarHBondContact O-CG1 3.41Å
56E98.2Very high96.8Very high101 Ų10157.7 Ų57.747%0.47233%0.325SS..SBendtrans-96.4-6.2179-65.4-17515900112.5T42 I43 F53T42-E56 CarbonylContact C-O 3.58Å; T42-E56 VanDerWaalsContact CA-O 3.27Å; T42-E56 WeakPolarHBondContact CA-O 3.42Å; I43-E56 PolarHBondContact N-O 2.9Å; F53-E56 HydrophobicContact CB-CG 4.16Å; F53-E56 HydrophobicContact CD2-CG 4.32Å
57N98.3Very high96.8Very high66 Ų6659.3 Ų59.335%0.35333%0.331SS..EExtended strand (participates in β ladder)trans-157.1165.9179.554.973.9000110.8W41 T42 F100W41-N57 WeakPolarHBondContact CH2-O 3.3Å; W41-N57 CarbonylContact O-C 3.59Å; W41-N57 WeakPolarHBondContact O-CA 3.47Å; W41-N57 WeakPolarHBondContact O-CB 3.28Å; T42-N57 HydrophobicContact CG2-CB 4.14Å; N57-F100 HydrophobicContact CB-CD1 4.04Å; N57-F100 HydrophobicContact CB-CD2 4.02Å; N57-F100 HydrophobicContact CB-CE1 3.66Å; N57-F100 HydrophobicContact CB-CE2 3.66Å; N57-F100 HydrophobicContact CB-CG 4.21Å; N57-F100 HydrophobicContact CB-CZ 3.47Å; N57-F100 VanDerWaalsContact CB-CZ 3.47Å; N57-F100 WeakPolarHBondContact OD1-CD1 3.33Å
58G97.9Very high96.9Very high14 Ų1459.1 Ų59.114%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-179.3175.4173.700000113.8M40 W41 F100M40-G58 WeakPolarHBondContact CA-O 3.11Å; W41-G58 VanDerWaalsContact CD1-O 3.31Å; W41-G58 PolarHBondContact N-O 2.83Å; W41-G58 PolarHBondContact O-N 3.38Å; G58-F100 WeakPolarHBondContact O-CD2 3.26Å
59Y97.3Very high97Very high58 Ų5858.5 Ų58.523%0.22732%0.324CS..EExtended strand (participates in β ladder)trans-114.4127.3172.1179.3-84.3000108P38 V39 M40 P61 V92 P97P38-Y59 HydrophobicContact CB-CE1 3.91Å; P38-Y59 HydrophobicContact CB-CE2 3.84Å; P38-Y59 WeakPolarHBondContact CB-OH 3.24Å; P38-Y59 HydrophobicContact CG-CE2 4.37Å; P38-Y59 WeakPolarHBondContact CG-OH 3.29Å; V39-Y59 CarbonylContact O-C 3.54Å; V39-Y59 WeakPolarHBondContact O-CA 3.26Å; M40-Y59 HydrophobicContact CE-CD2 4.45Å; M40-Y59 HydrophobicContact CG-CD2 3.96Å; Y59-P61 HydrophobicContact CE1-CG 4.35Å; Y59-V92 HydrophobicContact CE2-CG2 4.14Å; Y59-P97 WeakPolarHBondContact CE2-O 3.43Å
60L96Very high97.1Very high6 Ų651.8 Ų51.83%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-114.6116.1-179.2-156.768.7000108D33 P38 V39 E64 T66D33-L60 HydrophobicContact CB-CD2 3.63Å; D33-L60 HydrophobicContact CB-CG 4.29Å; P38-L60 CarbonylContact C-O 3.56Å; P38-L60 VanDerWaalsContact CA-O 3.3Å; P38-L60 WeakPolarHBondContact CA-O 3.02Å; V39-L60 PolarHBondContact N-O 2.77Å; V39-L60 PolarHBondContact O-N 2.85Å; L60-E64 HydrophobicContact CD1-CB 4.41Å; L60-E64 WeakPolarHBondContact CD2-O 3.17Å; L60-E64 HydrophobicContact CG-CB 4.37Å; L60-T66 HydrophobicContact CD1-CG2 3.84Å
61P94.1Very high97.2Very high57 Ų5751 Ų5137%0.3729%0.289SS..  trans-61.1162.6172.1-19.731.6000111.7Y59 T63 E64Y59-P61 HydrophobicContact CE1-CG 4.35Å; P61-T63 PolarHBondContact O-N 2.82Å; P61-E64 HydrophobicContact CB-CB 4.35Å; P61-E64 HydrophobicContact CB-CG 3.9Å; P61-E64 HydrophobicContact CG-CG 4.2Å; P61-E64 WeakPolarHBondContact O-CB 3.27Å; P61-E64 PolarHBondContact O-N 3Å
62P92.6Very high97.2Very high44 Ų4450.9 Ų50.929%0.28629%0.289SS..THydrogen-bonded Turntrans-53.4141.7174.5-22.231.4000111.7D33 P36 E64D33-P62 WeakPolarHBondContact OD2-CA 3.45Å; P36-P62 WeakPolarHBondContact O-CG 3.38Å; P62-E64 PolarHBondContact O-N 2.96Å; P62-E64 VanDerWaalsContact O-N 3.1Å
63T91.7Very high97.2Very high106 Ų10648.7 Ų48.765%0.6528%0.281SS*.THydrogen-bonded Turntrans62.112.4175680000115.4D33 P61D33-T63 CarbonylContact O-C 3.55Å; D33-T63 WeakPolarHBondContact O-CA 3.37Å; D33-T63 PolarHBondContact O-N 3.16Å; D33-T63 VanDerWaalsContact O-N 3.09Å; P61-T63 PolarHBondContact O-N 2.82Å
64E95.9Very high97.2Very high102 Ų10250.9 Ų50.948%0.47730%0.298SS..  trans-101.4169.9-178.4-74.2-70.4177.600112.8D33 L60 P61 P62D33-E64 PolarHBondContact N-O 2.95Å; D33-E64 PolarHBondContact O-N 2.95Å; L60-E64 HydrophobicContact CD1-CB 4.41Å; L60-E64 WeakPolarHBondContact CD2-O 3.17Å; L60-E64 HydrophobicContact CG-CB 4.37Å; P61-E64 HydrophobicContact CB-CB 4.35Å; P61-E64 HydrophobicContact CB-CG 3.9Å; P61-E64 HydrophobicContact CG-CG 4.2Å; P61-E64 WeakPolarHBondContact O-CB 3.27Å; P61-E64 PolarHBondContact O-N 3Å; P62-E64 PolarHBondContact O-N 2.96Å; P62-E64 VanDerWaalsContact O-N 3.1Å
65S97.2Very high97.2Very high39 Ų3949.1 Ų49.127%0.27328%0.28SS..EExtended strand (participates in β ladder)trans-140.4151.5176.268.30000112.6R30 L31 T32R30-S65 PolarHBondContact NE-OG 3.02Å; R30-S65 VanDerWaalsContact NE-OG 3.09Å; R30-S65 PolarHBondContact NH2-OG 2.95Å; L31-S65 CarbonylContact O-C 3.56Å; L31-S65 WeakPolarHBondContact O-CA 3.41Å; L31-S65 WeakPolarHBondContact O-CB 3.23Å; T32-S65 WeakPolarHBondContact OG1-CB 3.46Å
66T98.1Very high97.1Very high45 Ų4554.7 Ų54.728%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-131146.6174.4-170.60000110.7R30 L31 W41 L60R30-T66 CarbonylContact C-O 3.49Å; R30-T66 WeakPolarHBondContact CA-O 3.18Å; L31-T66 HydrophobicContact CB-CG2 4.07Å; L31-T66 HydrophobicContact CD1-CG2 4.46Å; L31-T66 HydrophobicContact CG-CG2 4.49Å; L31-T66 PolarHBondContact N-O 3.37Å; L31-T66 PolarHBondContact O-N 3Å; W41-T66 HydrophobicContact CZ2-CG2 3.8Å; L60-T66 HydrophobicContact CD1-CG2 3.84Å
67N98.2Very high96.9Very high104 Ų10452.3 Ų52.356%0.55629%0.288SS*.EExtended strand (participates in β ladder)trans-101.7125.4172-72-39.3000108.8R30R30-N67 VanDerWaalsContact CB-OD1 3.31Å; R30-N67 WeakPolarHBondContact CB-OD1 3.28Å; R30-N67 WeakPolarHBondContact CG-OD1 3.41Å
68V98.6Very high96.7Very high1 Ų155.5 Ų55.51%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-103.2117.1171.1-177.40000107.7A28 I29 L31 W41 I43 F53 A55A28-V68 WeakPolarHBondContact CA-O 3.3Å; I29-V68 HydrophobicContact CG2-CB 3.88Å; I29-V68 PolarHBondContact N-O 2.94Å; I29-V68 PolarHBondContact O-N 3.19Å; L31-V68 HydrophobicContact CD1-CG2 4.3Å; W41-V68 HydrophobicContact CH2-CG2 3.53Å; W41-V68 HydrophobicContact CZ2-CG2 4.22Å; W41-V68 HydrophobicContact CZ3-CG2 4.05Å; I43-V68 HydrophobicContact CG2-CG1 4.45Å; F53-V68 HydrophobicContact CB-CG1 3.8Å; F53-V68 HydrophobicContact CD1-CG1 3.83Å; F53-V68 HydrophobicContact CG-CG1 4.24Å; A55-V68 VanDerWaalsContact O-CG1 3.31Å; A55-V68 WeakPolarHBondContact O-CG1 3.41Å
69T98.6Very high96.4Very high54 Ų5461.6 Ų61.633%0.33133%0.328SS..EExtended strand (participates in β ladder)trans-68.6132.5171.9-58.90000108.6V26 Y27 F53 S54V26-T69 HydrophobicContact CG1-CG2 3.37Å; Y27-T69 CarbonylContact O-C 3.58Å; Y27-T69 WeakPolarHBondContact O-CA 3.38Å; F53-T69 CarbonylContact C-O 3.51Å; F53-T69 VanDerWaalsContact CA-O 3.29Å; F53-T69 WeakPolarHBondContact CA-O 3.4Å; S54-T69 PolarHBondContact N-O 3.14Å; S54-T69 PolarHBondContact OG-N 3.37Å
70V98.8Very high96.2Very high0 Ų062.5 Ų62.50%036%0.355CS..EExtended strand (participates in β ladder)trans-115.8117.8177.7-170.80000108F15 F17 Y27 I29 I51 K52 F53 F85F15-V70 HydrophobicContact CE1-CB 4.23Å; F15-V70 HydrophobicContact CE1-CG1 4.19Å; F15-V70 HydrophobicContact CE2-CG2 4.07Å; F15-V70 HydrophobicContact CZ-CB 3.81Å; F15-V70 HydrophobicContact CZ-CG1 4.23Å; F15-V70 HydrophobicContact CZ-CG2 3.78Å; F17-V70 HydrophobicContact CZ-CG1 3.86Å; Y27-V70 PolarHBondContact N-O 3.4Å; Y27-V70 PolarHBondContact O-N 2.88Å; I29-V70 HydrophobicContact CB-CG2 4.39Å; I29-V70 HydrophobicContact CG2-CG2 3.82Å; I51-V70 HydrophobicContact CG2-CG1 3.74Å; K52-V70 WeakPolarHBondContact O-CA 3.33Å; F53-V70 HydrophobicContact CD1-CB 4.49Å; F53-V70 HydrophobicContact CD1-CG1 4.32Å; F53-V70 HydrophobicContact CD1-CG2 3.91Å; F53-V70 HydrophobicContact CE1-CB 4.5Å; F53-V70 HydrophobicContact CE1-CG1 4Å; F53-V70 HydrophobicContact CE1-CG2 3.88Å; V70-F85 HydrophobicContact CG1-CE1 4.43Å; V70-F85 HydrophobicContact CG1-CE2 4.34Å; V70-F85 HydrophobicContact CG1-CZ 3.7Å; V70-F85 HydrophobicContact CG2-CE2 4.36Å
71T98.6Very high96.2Very high33 Ų3364.9 Ų64.920%0.20237%0.367CS..EExtended strand (participates in β ladder)trans-107.4122.8176.2-580000109.4D24 Q25 V26 I51 K52D24-T71 HydrophobicContact CB-CG2 4.4Å; Q25-T71 CarbonylContact O-C 3.57Å; Q25-T71 WeakPolarHBondContact O-CA 3.45Å; V26-T71 HydrophobicContact CG2-CG2 4.25Å; I51-T71 CarbonylContact C-O 3.59Å; I51-T71 VanDerWaalsContact CA-O 3.32Å; I51-T71 WeakPolarHBondContact CA-O 3.5Å; K52-T71 PolarHBondContact N-O 3.4Å; K52-T71 PolarHBondContact O-N 3.1Å
72L98.6Very high96.3Very high1 Ų166.7 Ų66.71%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-95.8114.1165.4172.771.1000108.6F17 Y21 D24 Q25 R50 I51 F75 Y120F17-L72 HydrophobicContact CB-CD2 3.67Å; F17-L72 HydrophobicContact CD1-CB 3.59Å; F17-L72 HydrophobicContact CD1-CD2 3.57Å; F17-L72 HydrophobicContact CD1-CG 4.21Å; F17-L72 HydrophobicContact CD2-CD2 3.99Å; F17-L72 HydrophobicContact CE1-CB 3.33Å; F17-L72 HydrophobicContact CE1-CD2 4.18Å; F17-L72 HydrophobicContact CE1-CG 4.35Å; F17-L72 HydrophobicContact CE2-CB 4.34Å; F17-L72 HydrophobicContact CG-CB 4.22Å; F17-L72 HydrophobicContact CG-CD2 3.48Å; F17-L72 VanDerWaalsContact CG-CD2 3.48Å; F17-L72 HydrophobicContact CG-CG 4.42Å; F17-L72 HydrophobicContact CZ-CB 3.75Å; Y21-L72 HydrophobicContact CD1-CD2 3.98Å; D24-L72 CarbonylContact C-O 3.54Å; D24-L72 VanDerWaalsContact CA-O 3.31Å; D24-L72 WeakPolarHBondContact CA-O 3.49Å; Q25-L72 HydrophobicContact CB-CB 4.35Å; Q25-L72 PolarHBondContact N-O 2.88Å; Q25-L72 PolarHBondContact O-N 3.34Å; R50-L72 HydrophobicContact CB-CD1 4.07Å; R50-L72 HydrophobicContact CG-CD1 4.12Å; R50-L72 CarbonylContact O-C 3.3Å; R50-L72 VanDerWaalsContact O-CA 3.31Å; R50-L72 WeakPolarHBondContact O-CA 3.34Å; I51-L72 HydrophobicContact CD1-CD1 4.45Å; I51-L72 HydrophobicContact CG1-CD1 3.83Å; L72-F75 HydrophobicContact CD1-CD1 4.1Å; L72-F75 HydrophobicContact CD1-CE1 3.97Å; L72-F75 HydrophobicContact CD2-CE1 4.07Å; L72-F75 HydrophobicContact CG-CE1 4.38Å; L72-Y120 HydrophobicContact CD1-CE1 4.35Å; L72-Y120 HydrophobicContact CD2-CE1 4.16Å
73N98.2Very high96.5Very high49 Ų4965.1 Ų65.126%0.26236%0.363SS..  trans-70.5153.7173-61.7-19.5000110.8R50 F75R50-N73 PolarHBondContact O-N 2.86Å; N73-F75 PolarHBondContact O-N 2.92Å
74P98Very high96.8Very high68 Ų6864.8 Ų64.844%0.44235%0.35SS..  trans-52.1136.1174-24.524.4000112.3Y21 D24Y21-P74 VanDerWaalsContact O-CA 3.27Å; Y21-P74 WeakPolarHBondContact O-CA 3.37Å; D24-P74 WeakPolarHBondContact OD1-CD 3.17Å
75F97.2Very high96.9Very high46 Ų4660 Ų6020%0.20233%0.327CS..  trans-156.3160.8174.180.2-69.4000111.3Y21 L72 N73 F77 L81 Y120Y21-F75 HydrophobicContact CD1-CE1 4.13Å; Y21-F75 HydrophobicContact CD2-CE1 4.45Å; Y21-F75 AromaticContact CG-CE1 3.83Å; Y21-F75 HydrophobicContact CG-CE1 3.83Å; Y21-F75 HydrophobicContact CG-CZ 4.35Å; Y21-F75 PolarHBondContact O-N 2.9Å; L72-F75 HydrophobicContact CD1-CD1 4.1Å; L72-F75 HydrophobicContact CD1-CE1 3.97Å; L72-F75 HydrophobicContact CD2-CE1 4.07Å; L72-F75 HydrophobicContact CG-CE1 4.38Å; N73-F75 PolarHBondContact O-N 2.92Å; F75-F77 HydrophobicContact CE2-CB 4.32Å; F75-F77 HydrophobicContact CE2-CD2 4.45Å; F75-F77 HydrophobicContact CZ-CB 4.33Å; F75-F77 HydrophobicContact CZ-CD2 4.15Å; F75-F77 PolarHBondContact O-N 2.74Å; F75-L81 HydrophobicContact CE2-CD1 3.6Å; F75-L81 HydrophobicContact CZ-CD1 4Å; F75-Y120 HydrophobicContact CE1-CD1 4.32Å; F75-Y120 AromaticContact CE1-CE1 3.85Å; F75-Y120 HydrophobicContact CE1-CE1 3.85Å; F75-Y120 AromaticContact CZ-CD1 3.94Å; F75-Y120 HydrophobicContact CZ-CD1 3.94Å; F75-Y120 AromaticContact CZ-CE1 3.57Å; F75-Y120 HydrophobicContact CZ-CE1 3.57Å
76E96Very high96.9Very high155 Ų15559.8 Ų59.872%0.72432%0.323SS*.  trans-79.7113.6171.2-171.6-175.1-175.300109.5
77F95.3Very high96.9Very high50 Ų5057.6 Ų57.622%0.21931%0.31CS..  trans-67.7141.3177.7175.7-93.4000111.6Y21 F75 L81 Y120 L122Y21-F77 HydrophobicContact CD2-CB 3.58Å; Y21-F77 HydrophobicContact CD2-CD2 4.22Å; Y21-F77 HydrophobicContact CD2-CG 4.08Å; Y21-F77 HydrophobicContact CE2-CB 3.88Å; Y21-F77 AromaticContact CE2-CD2 3.78Å; Y21-F77 HydrophobicContact CE2-CD2 3.78Å; Y21-F77 AromaticContact CE2-CG 3.85Å; Y21-F77 HydrophobicContact CE2-CG 3.85Å; F75-F77 HydrophobicContact CE2-CB 4.32Å; F75-F77 HydrophobicContact CE2-CD2 4.45Å; F75-F77 HydrophobicContact CZ-CB 4.33Å; F75-F77 HydrophobicContact CZ-CD2 4.15Å; F75-F77 PolarHBondContact O-N 2.74Å; F77-L81 HydrophobicContact CD2-CD1 3.82Å; F77-L81 HydrophobicContact CE2-CD1 3.93Å; F77-Y120 HydrophobicContact CD2-CD1 4.49Å; F77-Y120 HydrophobicContact CD2-CG 4.15Å; F77-Y120 VanDerWaalsContact CE2-CB 3.45Å; F77-Y120 HydrophobicContact CE2-CD2 4.23Å; F77-Y120 AromaticContact CE2-CG 3.88Å; F77-Y120 HydrophobicContact CE2-CG 3.88Å; F77-L122 HydrophobicContact CD1-CD1 4.48Å; F77-L122 HydrophobicContact CD1-CD2 3.82Å; F77-L122 HydrophobicContact CE1-CD1 3.82Å; F77-L122 HydrophobicContact CE1-CD2 3.93Å; F77-L122 HydrophobicContact CE1-CG 4.16Å; F77-L122 HydrophobicContact CG-CD2 4.33Å; F77-L122 HydrophobicContact CZ-CD1 4.33Å; F77-L122 HydrophobicContact CZ-CG 4.48Å
78K93.2Very high96.9Very high133 Ų13355.1 Ų55.158%0.57830%0.295SS*.  trans-131.7141.2174.1-63.1-178.1-178.3179.10108.4L81K78-L81 VanDerWaalsContact O-CG 3.31Å; K78-L81 WeakPolarHBondContact O-CG 3.37Å
79D92.1Very high96.8Very high142 Ų14255.3 Ų55.376%0.75930%0.296SS*.THydrogen-bonded Turntrans-61.3147.4173.3-71.4-51000111.2
80G93.1Very high96.6Very high77 Ų7752.9 Ų52.979%0.79428%0.281SS*.THydrogen-bonded Turntrans87.87.8176.700000115.9N82G80-N82 PolarHBondContact O-N 2.95Å
81L95.5Very high96.4Very high57 Ų5754.9 Ų54.930%0.29829%0.291SS..  trans-59.2135.3170-65.4170.4000110.9F75 F77 K78 Y120F75-L81 HydrophobicContact CE2-CD1 3.6Å; F75-L81 HydrophobicContact CZ-CD1 4Å; F77-L81 HydrophobicContact CD2-CD1 3.82Å; F77-L81 HydrophobicContact CE2-CD1 3.93Å; K78-L81 VanDerWaalsContact O-CG 3.31Å; K78-L81 WeakPolarHBondContact O-CG 3.37Å; L81-Y120 HydrophobicContact CB-CD2 4.05Å; L81-Y120 HydrophobicContact CB-CE2 3.91Å; L81-Y120 HydrophobicContact CD1-CD2 4.14Å; L81-Y120 HydrophobicContact CD1-CE2 3.96Å
82N95.9Very high96.2Very high95 Ų9553.3 Ų53.351%0.50828%0.281SS..  trans-132.649.5-177.3177.629.6000109.6G80 R84G80-N82 PolarHBondContact O-N 2.95Å; N82-R84 PolarHBondContact ND2-NH2 2.99Å; N82-R84 PolarHBondContact OD1-NE 3.24Å; N82-R84 VanDerWaalsContact OD1-NE 3.16Å; N82-R84 PolarHBondContact OD1-NH2 2.99Å
83D97.5Very high95.8Very high11 Ų1155 Ų556%0.05929%0.293CS..  trans-74.9150.7-177.9-59.7-31.2000111.8T46 A47 R50 I118 Y120T46-D83 VanDerWaalsContact OG1-CA 3.3Å; T46-D83 WeakPolarHBondContact OG1-CA 3.14Å; A47-D83 HydrophobicContact CB-CB 4.24Å; R50-D83 IonicContact CZ-OD1 2.69Å; R50-D83 IonicContact CZ-OD2 2.65Å; R50-D83 IonicContact NE-OD2 3.82Å; R50-D83 PolarHBondContact NE-OD2 3.24Å; R50-D83 IonicContact NH2-OD1 2.95Å; R50-D83 PolarHBondContact NH2-OD1 2.9Å; R50-D83 IonicContact NH2-OD2 2.62Å; R50-D83 PolarHBondContact NH2-OD2 3.03Å; D83-I118 HydrophobicContact CB-CB 3.98Å; D83-I118 HydrophobicContact CB-CD1 3.64Å; D83-I118 HydrophobicContact CB-CG1 4.13Å; D83-I118 VanDerWaalsContact O-CB 3.31Å; D83-I118 WeakPolarHBondContact O-CB 3.3Å; D83-I118 WeakPolarHBondContact O-CG1 3.23Å; D83-I118 PolarHBondContact O-N 2.8Å; D83-Y120 HydrophobicContact CB-CE2 4.32Å; D83-Y120 WeakPolarHBondContact OD2-CE2 3.46Å; D83-Y120 PolarHBondContact OD2-OH 3.42Å
84R98.1Very high95.5Very high99 Ų9958.7 Ų58.737%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-145.4150.7-173.8-55.5175.5-173.4-177.8-6.5111S45 T46 N82 V115 I116S45-R84 WeakPolarHBondContact CA-O 3.09Å; T46-R84 HydrophobicContact CG2-CB 4.08Å; T46-R84 PolarHBondContact N-O 2.97Å; T46-R84 PolarHBondContact OG1-N 2.78Å; N82-R84 PolarHBondContact ND2-NH2 2.99Å; N82-R84 PolarHBondContact OD1-NE 3.24Å; N82-R84 VanDerWaalsContact OD1-NE 3.16Å; N82-R84 PolarHBondContact OD1-NH2 2.99Å; R84-V115 HydrophobicContact CB-CG1 3.98Å; R84-V115 HydrophobicContact CG-CG1 4.24Å; R84-I116 CarbonylContact C-O 3.6Å; R84-I116 VanDerWaalsContact CA-O 3.27Å; R84-I116 WeakPolarHBondContact CA-O 3.39Å
85F98.3Very high95.2Very high0 Ų062.5 Ų62.50%033%0.329CS..EExtended strand (participates in β ladder)trans-92132.9158.8-54.2-22.3000109.2F15 I29 I43 Q44 I51 F53 V70 V115 I116 I118F15-F85 HydrophobicContact CB-CD2 4.39Å; F15-F85 HydrophobicContact CB-CE2 3.75Å; F15-F85 HydrophobicContact CB-CZ 4.25Å; F15-F85 AromaticContact CD1-CE2 3.93Å; F15-F85 HydrophobicContact CD1-CE2 3.93Å; F15-F85 AromaticContact CD1-CZ 3.92Å; F15-F85 HydrophobicContact CD1-CZ 3.92Å; F15-F85 AromaticContact CD2-CE2 3.63Å; F15-F85 HydrophobicContact CD2-CE2 3.63Å; F15-F85 HydrophobicContact CD2-CZ 4.43Å; F15-F85 HydrophobicContact CE1-CE2 4.41Å; F15-F85 HydrophobicContact CE1-CZ 4.35Å; F15-F85 HydrophobicContact CE2-CE2 4.16Å; F15-F85 HydrophobicContact CG-CD2 4.47Å; F15-F85 AromaticContact CG-CE2 3.49Å; F15-F85 HydrophobicContact CG-CE2 3.49Å; F15-F85 VanDerWaalsContact CG-CE2 3.49Å; F15-F85 AromaticContact CG-CZ 3.95Å; F15-F85 HydrophobicContact CG-CZ 3.95Å; F15-F85 HydrophobicContact CZ-CE2 4.49Å; I29-F85 HydrophobicContact CD1-CD2 4.34Å; I43-F85 HydrophobicContact CD1-CB 4.47Å; I43-F85 HydrophobicContact CD1-CD2 4.39Å; I43-F85 HydrophobicContact CG1-CB 4.45Å; Q44-F85 CarbonylContact O-C 3.51Å; Q44-F85 VanDerWaalsContact O-CA 3.3Å; Q44-F85 WeakPolarHBondContact O-CA 3.48Å; I51-F85 HydrophobicContact CD1-CE1 4.3Å; I51-F85 HydrophobicContact CG2-CE1 3.91Å; I51-F85 HydrophobicContact CG2-CZ 4.43Å; F53-F85 HydrophobicContact CE1-CD1 4.23Å; F53-F85 HydrophobicContact CE1-CD2 4.41Å; F53-F85 HydrophobicContact CE1-CE1 4.11Å; F53-F85 HydrophobicContact CE1-CE2 4.29Å; F53-F85 HydrophobicContact CE1-CG 4.41Å; F53-F85 HydrophobicContact CE1-CZ 4.18Å; F53-F85 AromaticContact CZ-CD1 3.66Å; F53-F85 HydrophobicContact CZ-CD1 3.66Å; F53-F85 AromaticContact CZ-CE1 3.78Å; F53-F85 HydrophobicContact CZ-CE1 3.78Å; F53-F85 HydrophobicContact CZ-CG 4.11Å; F53-F85 HydrophobicContact CZ-CZ 4.31Å; V70-F85 HydrophobicContact CG1-CE1 4.43Å; V70-F85 HydrophobicContact CG1-CE2 4.34Å; V70-F85 HydrophobicContact CG1-CZ 3.7Å; V70-F85 HydrophobicContact CG2-CE2 4.36Å; F85-V115 WeakPolarHBondContact O-CA 3.24Å; F85-I116 HydrophobicContact CB-CB 4.28Å; F85-I116 PolarHBondContact N-O 3.45Å; F85-I116 PolarHBondContact O-N 2.85Å; F85-I118 HydrophobicContact CD1-CD1 3.7Å; F85-I118 HydrophobicContact CD1-CG1 4.12Å; F85-I118 HydrophobicContact CE1-CD1 3.2Å; F85-I118 HydrophobicContact CE1-CG1 3.82Å; F85-I118 HydrophobicContact CZ-CD1 3.9Å; F85-I118 HydrophobicContact CZ-CG1 4.2Å
86N97.8Very high95Very high35 Ų3560.9 Ų60.919%0.18733%0.325CS..EExtended strand (participates in β ladder)trans-103.9117.9166.2-63.4-69.8000107.1I43 Q44 K113I43-N86 WeakPolarHBondContact CA-O 3.25Å; Q44-N86 PolarHBondContact N-O 3.03Å; Q44-N86 PolarHBondContact O-N 3.09Å; N86-K113 WeakPolarHBondContact OD1-CE 3.49Å
87I97.8Very high95Very high0 Ų055 Ų550%030%0.3CS..EExtended strand (participates in β ladder)trans-112.7122.5175.3-58.8165.5000106.5T9 I29 L31 T42 I43 W89 K113 K114 I116T9-I87 HydrophobicContact CG2-CD1 3.76Å; I29-I87 HydrophobicContact CD1-CD1 3.99Å; L31-I87 HydrophobicContact CD2-CD1 3.9Å; T42-I87 VanDerWaalsContact O-CA 3.3Å; T42-I87 WeakPolarHBondContact O-CA 3.3Å; I43-I87 HydrophobicContact CB-CG1 4.27Å; I43-I87 HydrophobicContact CD1-CD1 4.17Å; I43-I87 HydrophobicContact CD1-CG1 3.92Å; I43-I87 HydrophobicContact CG1-CG1 3.79Å; I87-W89 HydrophobicContact CG2-CE3 4.27Å; I87-K113 CarbonylContact O-C 3.55Å; I87-K113 WeakPolarHBondContact O-CA 3.36Å; I87-K114 PolarHBondContact N-O 2.92Å; I87-K114 PolarHBondContact O-N 2.86Å; I87-I116 HydrophobicContact CD1-CD1 3.68Å; I87-I116 HydrophobicContact CD1-CG1 4.38Å
88E96.7Very high95Very high51 Ų5159.1 Ų59.124%0.23832%0.318CS..EExtended strand (participates in β ladder)trans-121.8145.1179.3-69.4177.9177.700109.4W41 T42 M105 I111 K112 K113W41-E88 CarbonylContact C-O 3.59Å; W41-E88 VanDerWaalsContact CA-O 3.22Å; W41-E88 WeakPolarHBondContact CA-O 3.4Å; T42-E88 PolarHBondContact N-O 2.79Å; T42-E88 PolarHBondContact O-N 2.86Å; E88-M105 HydrophobicContact CB-CE 3.98Å; E88-I111 HydrophobicContact CB-CG2 3.86Å; E88-I111 HydrophobicContact CG-CG2 4.26Å; E88-K112 CarbonylContact C-O 3.55Å; E88-K112 VanDerWaalsContact CA-O 3.24Å; E88-K112 WeakPolarHBondContact CA-O 3.32Å; E88-K113 HydrophobicContact CG-CB 4.1Å; E88-K113 HydrophobicContact CG-CD 4.3Å; E88-K113 HydrophobicContact CG-CG 3.88Å; E88-K113 IonicContact OE1-NZ 3.92Å; E88-K113 PolarHBondContact OE1-NZ 2.92Å
89W96.5Very high95.1Very high6 Ų655.7 Ų55.72%0.02331%0.314CS..EExtended strand (participates in β ladder)trans-152.9158.6179.872.495.9000113.6D5 E6 V7 V39 M40 W41 I87 K112 K114D5-W89 PolarHBondContact O-NE1 2.83Å; D5-W89 VanDerWaalsContact O-NE1 3.14Å; E6-W89 HydrophobicContact CB-CZ2 4.14Å; E6-W89 HydrophobicContact CG-CH2 3.98Å; E6-W89 HydrophobicContact CG-CZ2 3.7Å; V7-W89 HydrophobicContact CB-CD2 3.89Å; V7-W89 HydrophobicContact CB-CE3 4.12Å; V7-W89 HydrophobicContact CB-CG 4.24Å; V7-W89 HydrophobicContact CG2-CB 4.05Å; V7-W89 HydrophobicContact CG2-CD2 3.72Å; V7-W89 HydrophobicContact CG2-CE3 4.36Å; V7-W89 HydrophobicContact CG2-CG 3.53Å; V39-W89 HydrophobicContact CG1-CB 3.51Å; V39-W89 HydrophobicContact CG1-CG 3.91Å; M40-W89 CarbonylContact O-C 3.55Å; M40-W89 WeakPolarHBondContact O-CA 3.3Å; M40-W89 VanDerWaalsContact O-CB 3.26Å; M40-W89 WeakPolarHBondContact O-CB 3.45Å; W41-W89 HydrophobicContact CB-CB 4.12Å; I87-W89 HydrophobicContact CG2-CE3 4.27Å; W89-K112 HydrophobicContact CD2-CB 3.83Å; W89-K112 HydrophobicContact CE3-CB 4.4Å; W89-K112 HydrophobicContact CG-CB 4.25Å; W89-K112 HydrophobicContact CH2-CB 4.16Å; W89-K112 HydrophobicContact CZ2-CB 3.55Å; W89-K112 HydrophobicContact CZ2-CD 4.2Å; W89-K112 HydrophobicContact CZ2-CG 4.45Å; W89-K112 PolarHBondContact N-O 3.44Å; W89-K112 VanDerWaalsContact NE1-CD 3.31Å; W89-K112 PolarHBondContact O-N 2.76Å; W89-K114 HydrophobicContact CH2-CB 3.89Å; W89-K114 HydrophobicContact CZ3-CB 3.55Å
90I95.6Very high95.4Very high3 Ų351.4 Ų51.42%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-129.4147.1173.860.5161.8000109.6V39 M40 Y104 M105 C108 V110 I111V39-I90 VanDerWaalsContact CA-O 3.28Å; V39-I90 WeakPolarHBondContact CA-O 3.31Å; V39-I90 WeakPolarHBondContact CG1-O 3.47Å; M40-I90 HydrophobicContact CB-CD1 4.34Å; M40-I90 HydrophobicContact CB-CG1 3.84Å; M40-I90 PolarHBondContact N-O 2.85Å; M40-I90 VanDerWaalsContact N-O 3.09Å; M40-I90 PolarHBondContact O-N 2.91Å; M40-I90 HydrophobicContact SD-CD1 4.38Å; I90-Y104 HydrophobicContact CD1-CD1 3.85Å; I90-Y104 HydrophobicContact CD1-CE1 3.96Å; I90-M105 HydrophobicContact CD1-CB 4.08Å; I90-M105 HydrophobicContact CD1-CG 4.11Å; I90-M105 HydrophobicContact CG1-CG 4.15Å; I90-M105 HydrophobicContact CG2-CG 4.12Å; I90-C108 HydrophobicContact CD1-CB 4.36Å; I90-C108 WeakPolarHBondContact CD1-SG 3.36Å; I90-C108 HydrophobicContact CG2-CB 4.07Å; I90-V110 WeakPolarHBondContact CG2-O 3.28Å; I90-I111 HydrophobicContact CG2-CB 4.45Å; I90-I111 HydrophobicContact CG2-CG1 3.95Å
91N94Very high95.5Very high41 Ų4150.7 Ų50.722%0.21927%0.267CS..EExtended strand (participates in β ladder)trans-80.1130.3165.9-68.1-4.8000107.9D5 K112D5-N91 PolarHBondContact OD1-ND2 2.62Å; D5-N91 PolarHBondContact OD2-ND2 3.43Å; N91-K112 PolarHBondContact ND2-NZ 3.43Å; N91-K112 VanDerWaalsContact ND2-NZ 3.12Å
92V93.8Very high95.5Very high0 Ų051.7 Ų51.70%027%0.271CS..PPolyproline II helixtrans-89.9126.6177.5-172.20000108.9P38 M40 Y59 P97P38-V92 HydrophobicContact CG-CB 4.2Å; P38-V92 PolarHBondContact O-N 2.84Å; M40-V92 HydrophobicContact CB-CG2 4.38Å; M40-V92 HydrophobicContact CE-CG1 4.29Å; M40-V92 HydrophobicContact CE-CG2 3.75Å; M40-V92 HydrophobicContact CG-CG2 3.69Å; M40-V92 HydrophobicContact SD-CG2 4.38Å; Y59-V92 HydrophobicContact CE2-CG2 4.14Å; V92-P97 WeakPolarHBondContact CG1-O 3.27Å
93P91.9Very high95.5Very high38 Ų3852.7 Ų52.725%0.24727%0.273CS..PPolyproline II helixtrans-68.8167.1175.430.6-35.1000111.6D95 G96 Y104P93-D95 WeakPolarHBondContact CB-OD1 3.31Å; P93-D95 PolarHBondContact O-N 3.16Å; P93-G96 PolarHBondContact O-N 2.89Å; P93-Y104 WeakPolarHBondContact CD-OH 3.46Å; P93-Y104 WeakPolarHBondContact CG-OH 3.43Å
94D90.3Very high95.4Very high126 Ų12655.6 Ų55.667%0.67428%0.284SS*.THydrogen-bonded Turntrans-62.7-31.3-172.6-62.5-27.4000113.1K98D94-K98 PolarHBondContact O-NZ 3.09Å
95D93.2Very high95.3Very high148 Ų14851.1 Ų51.179%0.79127%0.267SS*.THydrogen-bonded Turntrans-901.3175.464.7-22.5000113.8P93P93-D95 WeakPolarHBondContact CB-OD1 3.31Å; P93-D95 PolarHBondContact O-N 3.16Å
96G93.4Very high95Very high11 Ų1157.7 Ų57.711%0.11330%0.298CS..SBendtrans-78.1178.7178.200000114.2P93P93-G96 PolarHBondContact O-N 2.89Å
97P95.2Very high94.8Very high32 Ų3263 Ų6321%0.20832%0.319CS..  trans-62.1149-178-18.730.2000112.7M40 Y59 V92 D101 Y104M40-P97 HydrophobicContact CE-CB 3.6Å; M40-P97 HydrophobicContact CE-CG 3.72Å; Y59-P97 WeakPolarHBondContact CE2-O 3.43Å; V92-P97 WeakPolarHBondContact CG1-O 3.27Å; P97-D101 HydrophobicContact CB-CB 4.34Å; P97-D101 HydrophobicContact CG-CB 4.26Å; P97-Y104 HydrophobicContact CG-CD1 4.18Å; P97-Y104 HydrophobicContact CG-CD2 3.78Å; P97-Y104 HydrophobicContact CG-CE2 4.22Å; P97-Y104 HydrophobicContact CG-CG 3.76Å
98K94.2Very high94.5Very high136 Ų13664.6 Ų64.659%0.59133%0.33SS*.SBendtrans-100.411.7179.3-55.5-58.3178.4-165.70113.7D94D94-K98 PolarHBondContact O-NZ 3.09Å
99A96.3Very high94Very high61 Ų6170 Ų7050%0.50436%0.361SS..SBendtrans-147.6168.617600000108.4M40 D101M40-A99 VanDerWaalsContact CE-O 3.23Å; M40-A99 WeakPolarHBondContact CE-O 3.22Å; A99-D101 PolarHBondContact O-N 3.19Å
100F97.4Very high93.7Very high52 Ų5274.8 Ų74.823%0.22839%0.39CS..  trans-62.1130.8177.2-179.8-99.4000110.8M40 T42 N57 G58 M102 M105M40-F100 HydrophobicContact CB-CD2 4.08Å; M40-F100 HydrophobicContact CB-CE2 4.4Å; M40-F100 HydrophobicContact CG-CD2 4.24Å; M40-F100 HydrophobicContact SD-CD2 4.33Å; T42-F100 HydrophobicContact CG2-CE2 3.98Å; T42-F100 HydrophobicContact CG2-CZ 3.93Å; N57-F100 HydrophobicContact CB-CD1 4.04Å; N57-F100 HydrophobicContact CB-CD2 4.02Å; N57-F100 HydrophobicContact CB-CE1 3.66Å; N57-F100 HydrophobicContact CB-CE2 3.66Å; N57-F100 HydrophobicContact CB-CG 4.21Å; N57-F100 HydrophobicContact CB-CZ 3.47Å; N57-F100 VanDerWaalsContact CB-CZ 3.47Å; N57-F100 WeakPolarHBondContact OD1-CD1 3.33Å; G58-F100 WeakPolarHBondContact O-CD2 3.26Å; F100-M102 HydrophobicContact CE1-CB 3.91Å; F100-M102 HydrophobicContact CE1-CE 3.97Å; F100-M102 HydrophobicContact CZ-CB 4.16Å; F100-M102 HydrophobicContact CZ-CE 3.69Å; F100-M102 HydrophobicContact CZ-SD 4.09Å; F100-M105 HydrophobicContact CE2-SD 4.08Å
101D97.3Very high93.7Very high62 Ų6278.1 Ų78.133%0.33241%0.407SS..  trans-137.2107.4177.2-175.9-25.8000108.8M40 P97 A99 E103 Y104 M105M40-D101 HydrophobicContact CE-CB 4.25Å; M40-D101 HydrophobicContact SD-CB 4.35Å; M40-D101 PolarHBondContact SD-N 2.8Å; M40-D101 VanDerWaalsContact SD-N 3.38Å; P97-D101 HydrophobicContact CB-CB 4.34Å; P97-D101 HydrophobicContact CG-CB 4.26Å; A99-D101 PolarHBondContact O-N 3.19Å; D101-E103 VanDerWaalsContact C-N 3.34Å; D101-E103 PolarHBondContact OD1-N 2.75Å; D101-Y104 PolarHBondContact O-N 2.95Å; D101-Y104 PolarHBondContact OD1-N 2.95Å; D101-M105 PolarHBondContact O-N 3.42Å
102M95.3Very high93.7Very high78 Ų7878.5 Ų78.538%0.38441%0.407SS..Hα-helixtrans-64.8-38.7-178.8-176.96577.800111.8T42 F100 M105 Q106T42-M102 HydrophobicContact CG2-CE 4.32Å; F100-M102 HydrophobicContact CE1-CB 3.91Å; F100-M102 HydrophobicContact CE1-CE 3.97Å; F100-M102 HydrophobicContact CZ-CB 4.16Å; F100-M102 HydrophobicContact CZ-CE 3.69Å; F100-M102 HydrophobicContact CZ-SD 4.09Å; M102-M105 PolarHBondContact O-N 2.54Å; M102-Q106 HydrophobicContact CG-CG 4.39Å; M102-Q106 WeakPolarHBondContact O-CB 3.37Å; M102-Q106 VanDerWaalsContact O-CG 3.24Å; M102-Q106 WeakPolarHBondContact O-CG 3.34Å; M102-Q106 PolarHBondContact O-N 2.85Å; M102-Q106 HydrophobicContact SD-CG 4.32Å
103E95.8Very high93.8Very high117 Ų11783.8 Ų83.855%0.54743%0.43SS..Hα-helixtrans-69.6-39.9-178.1-172.4-179.4168.900110.2D101 Q106 K107D101-E103 VanDerWaalsContact C-N 3.34Å; D101-E103 PolarHBondContact OD1-N 2.75Å; E103-Q106 PolarHBondContact O-N 2.69Å; E103-K107 HydrophobicContact CG-CD 4.39Å; E103-K107 WeakPolarHBondContact O-CG 3.23Å; E103-K107 PolarHBondContact O-N 3.27Å; E103-K107 WeakPolarHBondContact OE1-CE 3.31Å; E103-K107 IonicContact OE1-NZ 2.82Å; E103-K107 PolarHBondContact OE1-NZ 2.99Å
104Y95.5Very high94Very high71 Ų7183 Ų8328%0.27842%0.422SS..Hα-helixtrans-60.2-49.6172.2-172.2-89.4000111.1M40 I90 P93 P97 D101 Q106 K107 C108M40-Y104 HydrophobicContact CE-CD1 4.2Å; I90-Y104 HydrophobicContact CD1-CD1 3.85Å; I90-Y104 HydrophobicContact CD1-CE1 3.96Å; P93-Y104 WeakPolarHBondContact CD-OH 3.46Å; P93-Y104 WeakPolarHBondContact CG-OH 3.43Å; P97-Y104 HydrophobicContact CG-CD1 4.18Å; P97-Y104 HydrophobicContact CG-CD2 3.78Å; P97-Y104 HydrophobicContact CG-CE2 4.22Å; P97-Y104 HydrophobicContact CG-CG 3.76Å; D101-Y104 PolarHBondContact O-N 2.95Å; D101-Y104 PolarHBondContact OD1-N 2.95Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 PolarHBondContact O-N 3.22Å; Y104-K107 PolarHBondContact O-N 2.91Å; Y104-K107 VanDerWaalsContact O-N 3.09Å; Y104-C108 VanDerWaalsContact CE1-SG 3.6Å; Y104-C108 PolarHBondContact O-N 2.81Å; Y104-C108 PolarHBondContact O-SG 2.87Å
105M95.1Very high94.3Very high5 Ų579.9 Ų79.93%0.02541%0.408CS..Hα-helixtrans-60-40.5-179.7-175172.9176.900112.7T42 E88 I90 F100 D101 M102 K107 C108 I111T42-M105 HydrophobicContact CG2-CE 4.06Å; T42-M105 HydrophobicContact CG2-SD 3.75Å; E88-M105 HydrophobicContact CB-CE 3.98Å; I90-M105 HydrophobicContact CD1-CB 4.08Å; I90-M105 HydrophobicContact CD1-CG 4.11Å; I90-M105 HydrophobicContact CG1-CG 4.15Å; I90-M105 HydrophobicContact CG2-CG 4.12Å; F100-M105 HydrophobicContact CE2-SD 4.08Å; D101-M105 PolarHBondContact O-N 3.42Å; M102-M105 PolarHBondContact O-N 2.54Å; M105-K107 VanDerWaalsContact C-N 3.27Å; M105-K107 PolarHBondContact O-N 2.96Å; M105-C108 PolarHBondContact O-N 2.92Å; M105-I111 HydrophobicContact CE-CG2 4.32Å
106Q92.3Very high94.5Very high139 Ų13972.9 Ų72.965%0.6537%0.371SS*.Hα-helixtrans-68.5-23.8177.7-74.5175.9-13.800113.7M102 E103 Y104M102-Q106 HydrophobicContact CG-CG 4.39Å; M102-Q106 WeakPolarHBondContact O-CB 3.37Å; M102-Q106 VanDerWaalsContact O-CG 3.24Å; M102-Q106 WeakPolarHBondContact O-CG 3.34Å; M102-Q106 PolarHBondContact O-N 2.85Å; M102-Q106 HydrophobicContact SD-CG 4.32Å; E103-Q106 PolarHBondContact O-N 2.69Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 PolarHBondContact O-N 3.22Å
107K94.1Very high94.7Very high145 Ų14575.4 Ų75.463%0.6338%0.384SS*.Hα-helixtrans-88.5-9.5176.8-71.7174.8-175.1171.20113.4E103 Y104 M105E103-K107 HydrophobicContact CG-CD 4.39Å; E103-K107 WeakPolarHBondContact O-CG 3.23Å; E103-K107 PolarHBondContact O-N 3.27Å; E103-K107 WeakPolarHBondContact OE1-CE 3.31Å; E103-K107 IonicContact OE1-NZ 2.82Å; E103-K107 PolarHBondContact OE1-NZ 2.99Å; Y104-K107 PolarHBondContact O-N 2.91Å; Y104-K107 VanDerWaalsContact O-N 3.09Å; M105-K107 VanDerWaalsContact C-N 3.27Å; M105-K107 PolarHBondContact O-N 2.96Å
108C91.5Very high94.9Very high34 Ų3474.2 Ų74.223%0.2338%0.376CS..  trans-71.9133.8177.6-75.40000111.7I90 Y104 M105 V110I90-C108 HydrophobicContact CD1-CB 4.36Å; I90-C108 WeakPolarHBondContact CD1-SG 3.36Å; I90-C108 HydrophobicContact CG2-CB 4.07Å; Y104-C108 VanDerWaalsContact CE1-SG 3.6Å; Y104-C108 PolarHBondContact O-N 2.81Å; Y104-C108 PolarHBondContact O-SG 2.87Å; M105-C108 PolarHBondContact O-N 2.92Å; C108-V110 VanDerWaalsContact C-N 3.31Å; C108-V110 PolarHBondContact O-N 2.85Å
109D85.9Confident95Very high166 Ų16671 Ų7189%0.88836%0.363SS*.SBendtrans-69.8-27.6178.7-64-41.9000113.2
110V90.6Very high95Very high105 Ų10569.1 Ų69.164%0.63634%0.343SS*.  trans-118.297.4-174.8-175.50000110I90 C108I90-V110 WeakPolarHBondContact CG2-O 3.28Å; C108-V110 VanDerWaalsContact C-N 3.31Å; C108-V110 PolarHBondContact O-N 2.85Å
111I93.9Very high94.9Very high74 Ų7470 Ų7038%0.37935%0.35SS..  trans-101.6120.3169.6-58.9176.2000108.5E88 I90 M105E88-I111 HydrophobicContact CB-CG2 3.86Å; E88-I111 HydrophobicContact CG-CG2 4.26Å; I90-I111 HydrophobicContact CG2-CB 4.45Å; I90-I111 HydrophobicContact CG2-CG1 3.95Å; M105-I111 HydrophobicContact CE-CG2 4.32Å
112K95.2Very high94.6Very high49 Ų4974.3 Ų74.321%0.21337%0.372CS..EExtended strand (participates in β ladder)trans-86149.4173.4-64168.4-178.4168.40108.9D5 E88 W89 N91D5-K112 VanDerWaalsContact O-CD 3.28Å; D5-K112 WeakPolarHBondContact O-CD 3.31Å; D5-K112 PolarHBondContact O-NZ 3.41Å; D5-K112 IonicContact OD1-NZ 3.2Å; D5-K112 IonicContact OD2-NZ 2.74Å; D5-K112 PolarHBondContact OD2-NZ 3.3Å; E88-K112 CarbonylContact C-O 3.55Å; E88-K112 VanDerWaalsContact CA-O 3.24Å; E88-K112 WeakPolarHBondContact CA-O 3.32Å; W89-K112 HydrophobicContact CD2-CB 3.83Å; W89-K112 HydrophobicContact CE3-CB 4.4Å; W89-K112 HydrophobicContact CG-CB 4.25Å; W89-K112 HydrophobicContact CH2-CB 4.16Å; W89-K112 HydrophobicContact CZ2-CB 3.55Å; W89-K112 HydrophobicContact CZ2-CD 4.2Å; W89-K112 HydrophobicContact CZ2-CG 4.45Å; W89-K112 PolarHBondContact N-O 3.44Å; W89-K112 VanDerWaalsContact NE1-CD 3.31Å; W89-K112 PolarHBondContact O-N 2.76Å; N91-K112 PolarHBondContact ND2-NZ 3.43Å; N91-K112 VanDerWaalsContact ND2-NZ 3.12Å
113K95.4Very high94.6Very high110 Ų11074.1 Ų74.148%0.47837%0.371SS..EExtended strand (participates in β ladder)trans-139.4143-174.5-175.9175.7-170.9130.60112N86 I87 E88 V115N86-K113 WeakPolarHBondContact OD1-CE 3.49Å; I87-K113 CarbonylContact O-C 3.55Å; I87-K113 WeakPolarHBondContact O-CA 3.36Å; E88-K113 HydrophobicContact CG-CB 4.1Å; E88-K113 HydrophobicContact CG-CD 4.3Å; E88-K113 HydrophobicContact CG-CG 3.88Å; E88-K113 IonicContact OE1-NZ 3.92Å; E88-K113 PolarHBondContact OE1-NZ 2.92Å; K113-V115 HydrophobicContact CG-CG2 4.47Å
114K95.5Very high94.5Very high21 Ų2171.8 Ų71.89%0.09136%0.362CS..EExtended strand (participates in β ladder)trans-132.4140.2169.8-175173.4-169.6174.50110T9 D12 I87 W89T9-K114 HydrophobicContact CG2-CD 3.94Å; T9-K114 WeakPolarHBondContact OG1-CE 3.29Å; T9-K114 PolarHBondContact OG1-NZ 3.01Å; D12-K114 VanDerWaalsContact O-CE 3.25Å; D12-K114 WeakPolarHBondContact O-CE 3.3Å; D12-K114 WeakPolarHBondContact OD1-CE 3.27Å; D12-K114 IonicContact OD1-NZ 2.62Å; D12-K114 PolarHBondContact OD1-NZ 3.16Å; I87-K114 PolarHBondContact N-O 2.92Å; I87-K114 PolarHBondContact O-N 2.86Å; W89-K114 HydrophobicContact CH2-CB 3.89Å; W89-K114 HydrophobicContact CZ3-CB 3.55Å
115V97.1Very high94.5Very high62 Ų6271.9 Ų71.938%0.37637%0.367SS..EExtended strand (participates in β ladder)trans-118.3126.1178-178.30000109R84 F85 K113R84-V115 HydrophobicContact CB-CG1 3.98Å; R84-V115 HydrophobicContact CG-CG1 4.24Å; F85-V115 WeakPolarHBondContact O-CA 3.24Å; K113-V115 HydrophobicContact CG-CG2 4.47Å
116I97.9Very high94.4Very high0 Ų075.8 Ų75.80%039%0.387CS..EExtended strand (participates in β ladder)trans-112125.4176.3-59.6178.2000108T9 F15 I29 R84 F85 I87T9-I116 HydrophobicContact CG2-CD1 4.15Å; T9-I116 WeakPolarHBondContact OG1-CD1 3.39Å; F15-I116 HydrophobicContact CB-CG2 4.04Å; I29-I116 HydrophobicContact CD1-CD1 3.38Å; R84-I116 CarbonylContact C-O 3.6Å; R84-I116 VanDerWaalsContact CA-O 3.27Å; R84-I116 WeakPolarHBondContact CA-O 3.39Å; F85-I116 HydrophobicContact CB-CB 4.28Å; F85-I116 PolarHBondContact N-O 3.45Å; F85-I116 PolarHBondContact O-N 2.85Å; I87-I116 HydrophobicContact CD1-CD1 3.68Å; I87-I116 HydrophobicContact CD1-CG1 4.38Å
117T97.9Very high94.5Very high65 Ų6571.9 Ų71.940%0.39937%0.371SS..EExtended strand (participates in β ladder)trans-79.3136.8179.8-56.30000110K13 R14 F15K13-T117 PolarHBondContact O-N 2.92Å; K13-T117 VanDerWaalsContact O-N 3.14Å; R14-T117 CarbonylContact C-O 3.57Å; R14-T117 VanDerWaalsContact CA-O 3.26Å; R14-T117 WeakPolarHBondContact CA-O 3.33Å; F15-T117 PolarHBondContact N-O 2.79Å
118I98Very high94.6Very high7 Ų767 Ų674%0.03635%0.353CS..EExtended strand (participates in β ladder)trans-87.7133.6172.8-55.9-176.5000109.1F15 F17 I51 D83 F85 Y120F15-I118 CarbonylContact O-C 3.5Å; F15-I118 WeakPolarHBondContact O-CA 3.4Å; F17-I118 HydrophobicContact CD2-CG2 3.65Å; F17-I118 HydrophobicContact CE2-CG2 3.83Å; I51-I118 HydrophobicContact CD1-CD1 3.28Å; D83-I118 HydrophobicContact CB-CB 3.98Å; D83-I118 HydrophobicContact CB-CD1 3.64Å; D83-I118 HydrophobicContact CB-CG1 4.13Å; D83-I118 VanDerWaalsContact O-CB 3.31Å; D83-I118 WeakPolarHBondContact O-CB 3.3Å; D83-I118 WeakPolarHBondContact O-CG1 3.23Å; D83-I118 PolarHBondContact O-N 2.8Å; F85-I118 HydrophobicContact CD1-CD1 3.7Å; F85-I118 HydrophobicContact CD1-CG1 4.12Å; F85-I118 HydrophobicContact CE1-CD1 3.2Å; F85-I118 HydrophobicContact CE1-CG1 3.82Å; F85-I118 HydrophobicContact CZ-CD1 3.9Å; F85-I118 HydrophobicContact CZ-CG1 4.2Å; I118-Y120 HydrophobicContact CG2-CD2 4.35Å; I118-Y120 HydrophobicContact CG2-CE1 4.3Å; I118-Y120 HydrophobicContact CG2-CE2 3.84Å
119H97.2Very high94.8Very high68 Ų6869.4 Ų69.432%0.31536%0.362SS..EExtended strand (participates in β ladder)trans-120.3116.6178176.9-84.7000110.4R14 F15 S16 F17R14-H119 VanDerWaalsContact CD-CB 3.49Å; R14-H119 HydrophobicContact CG-CB 3.61Å; F15-H119 PolarHBondContact O-N 3.19Å; S16-H119 CarbonylContact C-O 3.25Å; S16-H119 VanDerWaalsContact CA-O 3.24Å; S16-H119 WeakPolarHBondContact CA-O 3.31Å; F17-H119 PolarHBondContact N-O 3.06Å
120Y96.9Very high95.5Very high21 Ų2161.9 Ų61.98%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-88.1106.6173.7-64.4-78000108.5F17 Y21 R50 L72 F75 F77 L81 D83 I118F17-Y120 HydrophobicContact CB-CD1 4.33Å; F17-Y120 HydrophobicContact CD2-CE1 4.25Å; Y21-Y120 HydrophobicContact CD1-CD1 4.38Å; Y21-Y120 AromaticContact CE1-CD1 3.85Å; Y21-Y120 HydrophobicContact CE1-CD1 3.85Å; Y21-Y120 AromaticContact CZ-CD1 4Å; Y21-Y120 VanDerWaalsContact OH-CA 3.27Å; Y21-Y120 WeakPolarHBondContact OH-CA 3.31Å; Y21-Y120 VanDerWaalsContact OH-CB 3.3Å; Y21-Y120 WeakPolarHBondContact OH-CB 3.35Å; R50-Y120 PolarHBondContact NE-OH 2.85Å; L72-Y120 HydrophobicContact CD1-CE1 4.35Å; L72-Y120 HydrophobicContact CD2-CE1 4.16Å; F75-Y120 HydrophobicContact CE1-CD1 4.32Å; F75-Y120 AromaticContact CE1-CE1 3.85Å; F75-Y120 HydrophobicContact CE1-CE1 3.85Å; F75-Y120 AromaticContact CZ-CD1 3.94Å; F75-Y120 HydrophobicContact CZ-CD1 3.94Å; F75-Y120 AromaticContact CZ-CE1 3.57Å; F75-Y120 HydrophobicContact CZ-CE1 3.57Å; F77-Y120 HydrophobicContact CD2-CD1 4.49Å; F77-Y120 HydrophobicContact CD2-CG 4.15Å; F77-Y120 VanDerWaalsContact CE2-CB 3.45Å; F77-Y120 HydrophobicContact CE2-CD2 4.23Å; F77-Y120 AromaticContact CE2-CG 3.88Å; F77-Y120 HydrophobicContact CE2-CG 3.88Å; L81-Y120 HydrophobicContact CB-CD2 4.05Å; L81-Y120 HydrophobicContact CB-CE2 3.91Å; L81-Y120 HydrophobicContact CD1-CD2 4.14Å; L81-Y120 HydrophobicContact CD1-CE2 3.96Å; D83-Y120 HydrophobicContact CB-CE2 4.32Å; D83-Y120 WeakPolarHBondContact OD2-CE2 3.46Å; D83-Y120 PolarHBondContact OD2-OH 3.42Å; I118-Y120 HydrophobicContact CG2-CD2 4.35Å; I118-Y120 HydrophobicContact CG2-CE1 4.3Å; I118-Y120 HydrophobicContact CG2-CE2 3.84Å
121N95.6Very high95.9Very high72 Ų7258.3 Ų58.339%0.38530%0.295SS..EExtended strand (participates in β ladder)trans-89.2113.1177.3-174.660000110.3F17 N18 A19 Y21F17-N121 PolarHBondContact O-N 3.36Å; N18-N121 CarbonylContact C-O 3.52Å; N18-N121 WeakPolarHBondContact OD1-CB 3.27Å; N18-N121 PolarHBondContact OD1-ND2 2.7Å; A19-N121 PolarHBondContact N-O 2.86Å; Y21-N121 PolarHBondContact OH-N 3.14Å; Y21-N121 PolarHBondContact OH-O 3.12Å
122L90.4Very high96.1Very high151 Ų15156.9 Ų56.979%0.79129%0.288SS*.  trans-75.70177.1-70.8168.2000112.7A19 Y21 F77A19-L122 WeakPolarHBondContact CB-OXT 2.94Å; Y21-L122 HydrophobicContact CE2-CD2 3.99Å; F77-L122 HydrophobicContact CD1-CD1 4.48Å; F77-L122 HydrophobicContact CD1-CD2 3.82Å; F77-L122 HydrophobicContact CE1-CD1 3.82Å; F77-L122 HydrophobicContact CE1-CD2 3.93Å; F77-L122 HydrophobicContact CE1-CG 4.16Å; F77-L122 HydrophobicContact CG-CD2 4.33Å; F77-L122 HydrophobicContact CZ-CD1 4.33Å; F77-L122 HydrophobicContact CZ-CG 4.48Å

Retrieved 122 of 122 residues in 101.3 ms (Link to these results)

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