A0A096NUF6_PAPAN Loading...

Transcription factor 19

Potential transcription factor that may play a role in the regulation of genes involved in cell cycle G1/S transition. May bind to regulatory elements of genes, including the promoter of the transcription factor FOXO1.

AlphaFold DB , UniProt , Accession A0A096NUF6, Species PAPAN (Papio anubis, Olive baboon), Gene TCF19, Length 345 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
1M60.6Low78.6Confident136 Ų13641.3 Ų41.367%0.6723%0.233SC*.  0148.40-75.1-175.7-67.400106.7R125 V126 K127M1-R125 HydrophobicContact CE-CB 3.93Å; M1-R125 HydrophobicContact SD-CB 4.09Å; M1-V126 CarbonylContact C-O 3.6Å; M1-V126 VanDerWaalsContact CA-O 3.27Å; M1-V126 WeakPolarHBondContact CA-O 3.46Å; M1-V126 WeakPolarHBondContact CB-O 3.21Å; M1-V126 WeakPolarHBondContact CG-O 3.37Å; M1-K127 HydrophobicContact CG-CG 4.02Å; M1-K127 HydrophobicContact SD-CG 4.45Å
2L64.9Low76.8Confident93 Ų9342.5 Ų42.549%0.48726%0.262SS..EExtended strand (participates in β ladder)trans-87.1128.3163.6-71.6172.1000105.9V126 P128 F131L2-V126 PolarHBondContact N-O 2.69Å; L2-V126 PolarHBondContact O-N 3.07Å; L2-P128 HydrophobicContact CG-CG 4.46Å; L2-F131 HydrophobicContact CB-CE2 3.74Å; L2-F131 HydrophobicContact CB-CZ 3.54Å; L2-F131 HydrophobicContact CD1-CE2 4.46Å; L2-F131 WeakPolarHBondContact O-CZ 3.45Å
3P70.4Confident75Confident23 Ų2343.3 Ų43.315%0.14928%0.284CS..EExtended strand (participates in β ladder)trans-75.6139.4169.3-12.629.3000109.4D67 W69P3-D67 WeakPolarHBondContact CG-O 3.36Å; P3-W69 VanDerWaalsContact CB-CD1 3.4Å
4C82.1Confident73.2Confident6 Ų659.2 Ų59.24%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-132.1169.216452.30000108.6T20 F21 V124 F131C4-T20 HydrophobicContact CB-CG2 4.1Å; C4-F21 WeakPolarHBondContact CA-O 3.31Å; C4-F21 WeakPolarHBondContact CB-O 3.38Å; C4-V124 PolarHBondContact N-O 3.32Å; C4-V124 PolarHBondContact O-N 3.38Å; C4-V124 VanDerWaalsContact O-O 3.05Å; C4-V124 PolarHBondContact SG-O 3.22Å; C4-F131 HydrophobicContact CB-CE1 4.17Å
5F88.4Confident71.7Confident2 Ų258.8 Ų58.81%0.00935%0.349CS..EExtended strand (participates in β ladder)trans-134.6162.1167.461.1-92.7000110F21 P23 Y31 L60 A62 V71 F121 Q122 Q123F5-F21 HydrophobicContact CD1-CB 4.24Å; F5-F21 HydrophobicContact CD2-CB 3.85Å; F5-F21 AromaticContact CD2-CD2 3.55Å; F5-F21 HydrophobicContact CD2-CD2 3.55Å; F5-F21 HydrophobicContact CD2-CE2 4.4Å; F5-F21 AromaticContact CD2-CG 3.96Å; F5-F21 HydrophobicContact CD2-CG 3.96Å; F5-F21 HydrophobicContact CE1-CB 3.88Å; F5-F21 HydrophobicContact CE2-CB 3.46Å; F5-F21 VanDerWaalsContact CE2-CB 3.46Å; F5-F21 HydrophobicContact CE2-CD1 4.25Å; F5-F21 AromaticContact CE2-CD2 3.34Å; F5-F21 HydrophobicContact CE2-CD2 3.34Å; F5-F21 HydrophobicContact CE2-CE2 4.11Å; F5-F21 AromaticContact CE2-CG 3.41Å; F5-F21 HydrophobicContact CE2-CG 3.41Å; F5-F21 VanDerWaalsContact CE2-CG 3.41Å; F5-F21 HydrophobicContact CG-CB 4.24Å; F5-F21 HydrophobicContact CZ-CB 3.49Å; F5-F21 VanDerWaalsContact CZ-CB 3.49Å; F5-F21 HydrophobicContact CZ-CD2 4.24Å; F5-F21 AromaticContact CZ-CG 3.85Å; F5-F21 HydrophobicContact CZ-CG 3.85Å; F5-F21 PolarHBondContact N-O 3.02Å; F5-F21 PolarHBondContact O-N 2.77Å; F5-P23 HydrophobicContact CD1-CG 4.15Å; F5-P23 HydrophobicContact CE1-CG 3.73Å; F5-Y31 HydrophobicContact CE1-CE2 4.09Å; F5-Y31 AromaticContact CZ-CD2 3.74Å; F5-Y31 HydrophobicContact CZ-CD2 3.74Å; F5-Y31 AromaticContact CZ-CE2 3.65Å; F5-Y31 HydrophobicContact CZ-CE2 3.65Å; F5-L60 HydrophobicContact CE2-CD1 4.12Å; F5-A62 HydrophobicContact CE1-CB 3.59Å; F5-A62 HydrophobicContact CZ-CB 4.07Å; F5-V71 HydrophobicContact CD1-CG2 3.56Å; F5-V71 HydrophobicContact CD2-CG1 4.48Å; F5-V71 HydrophobicContact CD2-CG2 4.44Å; F5-V71 HydrophobicContact CE1-CG1 4.49Å; F5-V71 HydrophobicContact CE1-CG2 3.72Å; F5-V71 HydrophobicContact CE2-CG1 4.18Å; F5-V71 HydrophobicContact CG-CG2 3.94Å; F5-V71 HydrophobicContact CZ-CG1 4.17Å; F5-V71 HydrophobicContact CZ-CG2 4.22Å; F5-F121 HydrophobicContact CB-CE2 3.86Å; F5-F121 HydrophobicContact CB-CZ 4.1Å; F5-F121 HydrophobicContact CD2-CD2 4.37Å; F5-F121 AromaticContact CD2-CE2 3.63Å; F5-F121 HydrophobicContact CD2-CE2 3.63Å; F5-F121 HydrophobicContact CE2-CE2 4.42Å; F5-F121 AromaticContact CG-CE2 3.93Å; F5-F121 HydrophobicContact CG-CE2 3.93Å; F5-F121 HydrophobicContact CG-CZ 4.43Å; F5-Q122 CarbonylContact C-O 3.46Å; F5-Q122 WeakPolarHBondContact CA-O 3.31Å; F5-Q123 HydrophobicContact CB-CG 4.46Å
6Q90.4Very high71Confident21 Ų2159.3 Ų59.310%0.09837%0.37CS..EExtended strand (participates in β ladder)trans-133.1146.2-169.6-66.8-173.2-36.100111.3L18 Y19 T20 F121 Q122 V124Q6-L18 HydrophobicContact CB-CD1 3.98Å; Q6-L18 HydrophobicContact CG-CD1 4.3Å; Q6-Y19 CarbonylContact C-O 3.57Å; Q6-Y19 WeakPolarHBondContact CA-O 3.41Å; Q6-T20 HydrophobicContact CG-CG2 3.93Å; Q6-T20 PolarHBondContact NE2-OG1 3.44Å; Q6-F121 WeakPolarHBondContact O-CA 3.49Å; Q6-Q122 PolarHBondContact N-O 3.33Å; Q6-Q122 PolarHBondContact O-N 2.75Å; Q6-V124 HydrophobicContact CG-CG2 4.08Å
7L90.3Very high71.3Confident0 Ų058 Ų580%036%0.36CS..EExtended strand (participates in β ladder)trans-113.1120.3159-68.4-175.4000108.5Y19 F21 L33 L60 L102 F119 M120 F121L7-Y19 PolarHBondContact N-O 3.07Å; L7-Y19 PolarHBondContact O-N 3.16Å; L7-F21 HydrophobicContact CB-CE2 4.33Å; L7-F21 HydrophobicContact CD1-CE2 4.27Å; L7-F21 HydrophobicContact CD1-CZ 4.42Å; L7-F21 HydrophobicContact CG-CE2 3.97Å; L7-L33 HydrophobicContact CD1-CD2 3.6Å; L7-L60 HydrophobicContact CD1-CD1 4.01Å; L7-L60 HydrophobicContact CG-CD1 4.44Å; L7-L102 HydrophobicContact CD1-CD1 4.41Å; L7-L102 HydrophobicContact CD2-CD1 3.56Å; L7-L102 HydrophobicContact CD2-CG 4.42Å; L7-F119 HydrophobicContact CB-CB 4.49Å; L7-F119 HydrophobicContact CB-CD1 3.89Å; L7-F119 HydrophobicContact CD1-CD1 4.46Å; L7-M120 WeakPolarHBondContact CA-O 3.36Å; L7-F121 HydrophobicContact CD2-CB 3.9Å; L7-F121 HydrophobicContact CD2-CD2 3.99Å; L7-F121 HydrophobicContact CD2-CG 4.46Å
8L88.1Confident72.1Confident51 Ų5159.1 Ų59.127%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-99.1113.5170.7176.764.7000108.9I10 D17 L18 F119 M120L8-I10 HydrophobicContact CG-CG1 4.48Å; L8-D17 CarbonylContact C-O 3.59Å; L8-D17 WeakPolarHBondContact CA-O 3.33Å; L8-L18 HydrophobicContact CB-CD1 4.19Å; L8-L18 HydrophobicContact CD1-CB 4.46Å; L8-L18 HydrophobicContact CD1-CD1 4.28Å; L8-F119 CarbonylContact O-C 3.57Å; L8-F119 VanDerWaalsContact O-CA 3.23Å; L8-F119 WeakPolarHBondContact O-CA 3.47Å; L8-M120 HydrophobicContact CD2-CE 4.23Å; L8-M120 PolarHBondContact N-O 3.33Å; L8-M120 PolarHBondContact O-N 2.94Å
9R85.5Confident72.8Confident41 Ų4159.6 Ų59.616%0.15536%0.358CS..EExtended strand (participates in β ladder)trans-68.5136172.3-165.4-179.7175.3-1360.7109.7G12 D17 E116 Y118 F119R9-G12 PolarHBondContact NH1-O 3.3Å; R9-G12 PolarHBondContact NH2-O 3.31Å; R9-D17 HydrophobicContact CB-CB 3.92Å; R9-D17 PolarHBondContact N-O 2.9Å; R9-D17 IonicContact NH1-OD1 3.4Å; R9-E116 PolarHBondContact NE-O 3.38Å; R9-E116 PolarHBondContact NH2-O 3.45Å; R9-Y118 CarbonylContact C-O 3.59Å; R9-Y118 WeakPolarHBondContact CA-O 3.44Å; R9-Y118 WeakPolarHBondContact CG-O 3.4Å; R9-F119 HydrophobicContact CB-CD1 3.7Å; R9-F119 HydrophobicContact CB-CE1 3.54Å; R9-F119 HydrophobicContact CB-CG 4.5Å; R9-F119 HydrophobicContact CB-CZ 4.21Å; R9-F119 HydrophobicContact CG-CD1 4.18Å; R9-F119 HydrophobicContact CG-CE1 3.84Å; R9-F119 HydrophobicContact CG-CE2 4.47Å; R9-F119 HydrophobicContact CG-CZ 4Å
10I79.6Confident73.6Confident28 Ų2858.5 Ų58.514%0.14435%0.351CS..  trans-11998.9-176.8-62.8174.2000109L8 Y118 M120 L153L8-I10 HydrophobicContact CG-CG1 4.48Å; I10-Y118 HydrophobicContact CB-CD1 3.76Å; I10-Y118 HydrophobicContact CB-CE1 4.12Å; I10-Y118 HydrophobicContact CG2-CD1 4.03Å; I10-Y118 HydrophobicContact CG2-CE1 4.09Å; I10-Y118 PolarHBondContact N-O 3.01Å; I10-M120 HydrophobicContact CD1-CB 3.77Å; I10-L153 HydrophobicContact CG2-CD1 4.21Å; I10-L153 HydrophobicContact CG2-CD2 3.84Å; I10-L153 HydrophobicContact CG2-CG 4.01Å
11G64.4Low74.3Confident53 Ų5356.3 Ų56.355%0.54634%0.337SS..SBendtrans105.6141.6176.700000114.4
12G56.5Low75.5Confident56 Ų5654.2 Ų54.258%0.57733%0.326SS*.SBendtrans80.859.5166.300000117.3R9R9-G12 PolarHBondContact NH1-O 3.3Å; R9-G12 PolarHBondContact NH2-O 3.31Å
13G53.5Low76.4Confident53 Ų5350.6 Ų50.655%0.54631%0.308SS..SBendtrans-171.2161.5173.200000115.7G15G13-G15 VanDerWaalsContact C-N 3.25Å; G13-G15 PolarHBondContact O-N 2.91Å
14R49.9Very low76.9Confident266 Ų26652.8 Ų52.8100%1.00432%0.322SS*.SBendtrans-90.646.8168.8-77.3-172.6172.8-123.52.4111.2
15G50.8Low76.7Confident53 Ų5357 Ų5755%0.54636%0.357SS..SBendtrans76.2173.9-175.200000113.6G13 D17G13-G15 VanDerWaalsContact C-N 3.25Å; G13-G15 PolarHBondContact O-N 2.91Å; G15-D17 VanDerWaalsContact CA-OD2 3.29Å; G15-D17 WeakPolarHBondContact CA-OD2 3.36Å
16G60Low76Confident66 Ų6660.3 Ų60.368%0.6839%0.392SS*.  trans92.811.9-166.400000113.6L18G16-L18 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 3.35Å
17D76.4Confident75.7Confident38 Ų3861.7 Ų61.720%0.20341%0.407CS..  trans-79.70.4-170.3-61.6-66.8000115.2L8 R9 G15L8-D17 CarbonylContact C-O 3.59Å; L8-D17 WeakPolarHBondContact CA-O 3.33Å; R9-D17 HydrophobicContact CB-CB 3.92Å; R9-D17 PolarHBondContact N-O 2.9Å; R9-D17 IonicContact NH1-OD1 3.4Å; G15-D17 VanDerWaalsContact CA-OD2 3.29Å; G15-D17 WeakPolarHBondContact CA-OD2 3.36Å
18L85.3Confident75.5Confident78 Ų7864.2 Ų64.241%0.40843%0.433SS..EExtended strand (participates in β ladder)trans-113.9114.6-177.4-175.665.3000112Q6 L8 G16Q6-L18 HydrophobicContact CB-CD1 3.98Å; Q6-L18 HydrophobicContact CG-CD1 4.3Å; L8-L18 HydrophobicContact CB-CD1 4.19Å; L8-L18 HydrophobicContact CD1-CB 4.46Å; L8-L18 HydrophobicContact CD1-CD1 4.28Å; G16-L18 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 3.35Å
19Y86.5Confident75.7Confident69 Ų6962.9 Ų62.927%0.27143%0.428SS..EExtended strand (participates in β ladder)trans-103.2123.7176.8-58.8-94.9000108.8Q6 L7 V42 F119Q6-Y19 CarbonylContact C-O 3.57Å; Q6-Y19 WeakPolarHBondContact CA-O 3.41Å; L7-Y19 PolarHBondContact N-O 3.07Å; L7-Y19 PolarHBondContact O-N 3.16Å; Y19-V42 HydrophobicContact CD1-CB 4.46Å; Y19-V42 HydrophobicContact CD1-CG1 4.01Å; Y19-V42 HydrophobicContact CD1-CG2 3.79Å; Y19-V42 HydrophobicContact CE1-CG1 3.78Å; Y19-V42 HydrophobicContact CE1-CG2 4.34Å; Y19-V42 HydrophobicContact CG-CG1 4.5Å; Y19-V42 HydrophobicContact CG-CG2 4.23Å; Y19-F119 AromaticContact CD2-CE1 3.91Å; Y19-F119 HydrophobicContact CD2-CE1 3.91Å; Y19-F119 AromaticContact CE2-CE1 3.72Å; Y19-F119 HydrophobicContact CE2-CE1 3.72Å; Y19-F119 HydrophobicContact CE2-CZ 4.43Å
20T88.3Confident76.1Confident37 Ų3764 Ų6423%0.22744%0.439CS..EExtended strand (participates in β ladder)trans-117119.4-179.7-53.20000111C4 Q6 H22C4-T20 HydrophobicContact CB-CG2 4.1Å; Q6-T20 HydrophobicContact CG-CG2 3.93Å; Q6-T20 PolarHBondContact NE2-OG1 3.44Å; T20-H22 PolarHBondContact O-CE1 2.78Å; T20-H22 PolarHBondContact O-ND1 3.2Å; T20-H22 VanDerWaalsContact O-ND1 3.17Å
21F88Confident76.8Confident13 Ų1364 Ų646%0.05744%0.437CS..EExtended strand (participates in β ladder)trans-99.9137.5-176.9-57.1-89.6000110.4C4 F5 L7 P23 Y31 V42 L60C4-F21 WeakPolarHBondContact CA-O 3.31Å; C4-F21 WeakPolarHBondContact CB-O 3.38Å; F5-F21 HydrophobicContact CD1-CB 4.24Å; F5-F21 HydrophobicContact CD2-CB 3.85Å; F5-F21 AromaticContact CD2-CD2 3.55Å; F5-F21 HydrophobicContact CD2-CD2 3.55Å; F5-F21 HydrophobicContact CD2-CE2 4.4Å; F5-F21 AromaticContact CD2-CG 3.96Å; F5-F21 HydrophobicContact CD2-CG 3.96Å; F5-F21 HydrophobicContact CE1-CB 3.88Å; F5-F21 HydrophobicContact CE2-CB 3.46Å; F5-F21 VanDerWaalsContact CE2-CB 3.46Å; F5-F21 HydrophobicContact CE2-CD1 4.25Å; F5-F21 AromaticContact CE2-CD2 3.34Å; F5-F21 HydrophobicContact CE2-CD2 3.34Å; F5-F21 HydrophobicContact CE2-CE2 4.11Å; F5-F21 AromaticContact CE2-CG 3.41Å; F5-F21 HydrophobicContact CE2-CG 3.41Å; F5-F21 VanDerWaalsContact CE2-CG 3.41Å; F5-F21 HydrophobicContact CG-CB 4.24Å; F5-F21 HydrophobicContact CZ-CB 3.49Å; F5-F21 VanDerWaalsContact CZ-CB 3.49Å; F5-F21 HydrophobicContact CZ-CD2 4.24Å; F5-F21 AromaticContact CZ-CG 3.85Å; F5-F21 HydrophobicContact CZ-CG 3.85Å; F5-F21 PolarHBondContact N-O 3.02Å; F5-F21 PolarHBondContact O-N 2.77Å; L7-F21 HydrophobicContact CB-CE2 4.33Å; L7-F21 HydrophobicContact CD1-CE2 4.27Å; L7-F21 HydrophobicContact CD1-CZ 4.42Å; L7-F21 HydrophobicContact CG-CE2 3.97Å; F21-P23 WeakPolarHBondContact O-CD 3.38Å; F21-Y31 HydrophobicContact CB-CD2 4.3Å; F21-Y31 HydrophobicContact CB-CE2 3.89Å; F21-Y31 AromaticContact CD1-CD1 3.7Å; F21-Y31 HydrophobicContact CD1-CD1 3.7Å; F21-Y31 AromaticContact CD1-CD2 3.73Å; F21-Y31 HydrophobicContact CD1-CD2 3.73Å; F21-Y31 HydrophobicContact CD1-CE1 4.07Å; F21-Y31 HydrophobicContact CD1-CE2 4.09Å; F21-Y31 AromaticContact CD1-CG 3.5Å; F21-Y31 HydrophobicContact CD1-CG 3.5Å; F21-Y31 VanDerWaalsContact CD1-CG 3.5Å; F21-Y31 HydrophobicContact CE1-CD1 4.28Å; F21-Y31 HydrophobicContact CE1-CD2 4.45Å; F21-Y31 AromaticContact CE1-CG 3.95Å; F21-Y31 HydrophobicContact CE1-CG 3.95Å; F21-Y31 HydrophobicContact CG-CD2 4.29Å; F21-Y31 HydrophobicContact CG-CE2 4.36Å; F21-Y31 HydrophobicContact CG-CG 4.47Å; F21-V42 HydrophobicContact CE1-CG2 3.96Å; F21-V42 HydrophobicContact CZ-CG2 3.61Å; F21-L60 HydrophobicContact CE2-CD1 4.39Å; F21-L60 HydrophobicContact CZ-CD1 4.25Å
22H86.1Confident78.3Confident91 Ų9166.2 Ų66.242%0.42143%0.429SS..  trans-124.987.1-172.6-59.985.2000109.6T20 Y31 F131T20-H22 PolarHBondContact O-CE1 2.78Å; T20-H22 PolarHBondContact O-ND1 3.2Å; T20-H22 VanDerWaalsContact O-ND1 3.17Å; H22-Y31 PolarHBondContact N-OH 2.9Å; H22-Y31 PolarHBondContact O-OH 3.49Å; H22-Y31 VanDerWaalsContact O-OH 3.09Å; H22-F131 AromaticContact CD2-CD1 3.98Å; H22-F131 AromaticContact CD2-CE1 3.65Å; H22-F131 AromaticContact NE2-CD1 3.68Å; H22-F131 AromaticContact NE2-CE1 3.73Å
23P84.6Confident80Confident17 Ų1763.6 Ų63.611%0.1140%0.402CS..PPolyproline II helixtrans-59.7138.4-179.9-29.238.7000112.8F5 F21 A25 Y31 A62 W69F5-P23 HydrophobicContact CD1-CG 4.15Å; F5-P23 HydrophobicContact CE1-CG 3.73Å; F21-P23 WeakPolarHBondContact O-CD 3.38Å; P23-A25 PolarHBondContact O-N 3.2Å; P23-Y31 WeakPolarHBondContact CA-OH 3.44Å; P23-A62 HydrophobicContact CG-CB 4.13Å; P23-W69 HydrophobicContact CB-CD2 3.69Å; P23-W69 HydrophobicContact CB-CE3 3.73Å; P23-W69 HydrophobicContact CB-CH2 3.52Å; P23-W69 HydrophobicContact CB-CZ2 3.46Å; P23-W69 VanDerWaalsContact CB-CZ2 3.46Å; P23-W69 HydrophobicContact CB-CZ3 3.65Å; P23-W69 HydrophobicContact CG-CD2 3.96Å; P23-W69 HydrophobicContact CG-CE3 4.18Å; P23-W69 HydrophobicContact CG-CG 4.35Å
24P80.9Confident81.8Confident69 Ų6961 Ų6145%0.44838%0.376SS..PPolyproline II helixtrans-70130.4177.630-33000110.1G26 A27 C29 W69P24-G26 PolarHBondContact O-N 2.95Å; P24-A27 PolarHBondContact O-N 3.4Å; P24-C29 HydrophobicContact CG-CB 4.11Å; P24-W69 VanDerWaalsContact O-CH2 3.3Å; P24-W69 WeakPolarHBondContact O-CH2 3.25Å
25A76.5Confident83.7Confident95 Ų9552.4 Ų52.479%0.78535%0.347SS*.THydrogen-bonded Turntrans-56.7122.9-174.700000112.4P23P23-A25 PolarHBondContact O-N 3.2Å
26G74.9Confident85.5Confident71 Ų7154.9 Ų54.973%0.73234%0.34SS*.THydrogen-bonded Turntrans86.7-0.4174.100000116.6P24P24-G26 PolarHBondContact O-N 2.95Å
27A82.9Confident86.8Confident50 Ų5054.3 Ų54.341%0.41333%0.328SS..SBendtrans-131.9139.1178.800000112.2P24 W69P24-A27 PolarHBondContact O-N 3.4Å; A27-W69 VanDerWaalsContact O-CH2 3.23Å; A27-W69 WeakPolarHBondContact O-CH2 3.48Å; A27-W69 WeakPolarHBondContact O-CZ3 3.1Å
28G87.2Confident87.5Confident54 Ų5457.6 Ų57.656%0.55735%0.346SS*.  trans-63.5141.4171.100000111.4A62G28-A62 CarbonylContact C-O 3.5Å; G28-A62 VanDerWaalsContact CA-O 3.29Å; G28-A62 WeakPolarHBondContact CA-O 3.4Å
29C91.6Very high87.6Confident22 Ų2257.4 Ų57.415%0.14935%0.345CS..EExtended strand (participates in β ladder)trans-132.6166.4178.364.70000111.6P24 Y31 A62P24-C29 HydrophobicContact CG-CB 4.11Å; C29-Y31 WeakPolarHBondContact SG-CE2 3.37Å; C29-A62 PolarHBondContact N-O 3.45Å; C29-A62 PolarHBondContact O-N 3.43Å
30T94.3Very high87.9Confident64 Ų6454.7 Ų54.739%0.39334%0.336SS..EExtended strand (participates in β ladder)trans-139.7132.2-179-62.90000109.7E59 L60 H61T30-E59 HydrophobicContact CG2-CB 3.86Å; T30-E59 HydrophobicContact CG2-CG 4.17Å; T30-E59 VanDerWaalsContact CG2-OE2 3.31Å; T30-E59 WeakPolarHBondContact CG2-OE2 3.35Å; T30-L60 CarbonylContact C-O 3.59Å; T30-L60 VanDerWaalsContact CA-O 3.31Å; T30-L60 WeakPolarHBondContact CA-O 3.28Å; T30-H61 VanDerWaalsContact CG2-CE1 3.49Å; T30-H61 WeakPolarHBondContact CG2-CE1 3.41Å; T30-H61 VanDerWaalsContact CG2-ND1 3.32Å; T30-H61 WeakPolarHBondContact CG2-ND1 3.4Å; T30-H61 PolarHBondContact OG1-ND1 2.99Å
31Y94.6Very high88Confident28 Ų2857.7 Ų57.711%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-116.9138.8178.5-54.9-81.2000110.4F5 F21 H22 P23 C29 D41 E59 L60F5-Y31 HydrophobicContact CE1-CE2 4.09Å; F5-Y31 AromaticContact CZ-CD2 3.74Å; F5-Y31 HydrophobicContact CZ-CD2 3.74Å; F5-Y31 AromaticContact CZ-CE2 3.65Å; F5-Y31 HydrophobicContact CZ-CE2 3.65Å; F21-Y31 HydrophobicContact CB-CD2 4.3Å; F21-Y31 HydrophobicContact CB-CE2 3.89Å; F21-Y31 AromaticContact CD1-CD1 3.7Å; F21-Y31 HydrophobicContact CD1-CD1 3.7Å; F21-Y31 AromaticContact CD1-CD2 3.73Å; F21-Y31 HydrophobicContact CD1-CD2 3.73Å; F21-Y31 HydrophobicContact CD1-CE1 4.07Å; F21-Y31 HydrophobicContact CD1-CE2 4.09Å; F21-Y31 AromaticContact CD1-CG 3.5Å; F21-Y31 HydrophobicContact CD1-CG 3.5Å; F21-Y31 VanDerWaalsContact CD1-CG 3.5Å; F21-Y31 HydrophobicContact CE1-CD1 4.28Å; F21-Y31 HydrophobicContact CE1-CD2 4.45Å; F21-Y31 AromaticContact CE1-CG 3.95Å; F21-Y31 HydrophobicContact CE1-CG 3.95Å; F21-Y31 HydrophobicContact CG-CD2 4.29Å; F21-Y31 HydrophobicContact CG-CE2 4.36Å; F21-Y31 HydrophobicContact CG-CG 4.47Å; H22-Y31 PolarHBondContact N-OH 2.9Å; H22-Y31 PolarHBondContact O-OH 3.49Å; H22-Y31 VanDerWaalsContact O-OH 3.09Å; P23-Y31 WeakPolarHBondContact CA-OH 3.44Å; C29-Y31 WeakPolarHBondContact SG-CE2 3.37Å; Y31-D41 WeakPolarHBondContact CA-OD2 3.27Å; Y31-D41 HydrophobicContact CD1-CB 4.44Å; Y31-E59 CarbonylContact O-C 3.46Å; Y31-E59 WeakPolarHBondContact O-CA 3.48Å; Y31-L60 PolarHBondContact N-O 3.22Å; Y31-L60 PolarHBondContact O-N 3.09Å
32R95.2Very high88.1Confident101 Ų10157.1 Ų57.138%0.38135%0.349SS..EExtended strand (participates in β ladder)trans-102.8136.5-174.5-81.1170172147.611112L39 C40 D41 V42 I56 E59R32-L39 WeakPolarHBondContact CD-O 3.45Å; R32-C40 HydrophobicContact CB-CB 4.11Å; R32-C40 CarbonylContact O-C 3.55Å; R32-C40 WeakPolarHBondContact O-CB 3.45Å; R32-D41 PolarHBondContact N-OD2 3.21Å; R32-D41 PolarHBondContact O-N 2.91Å; R32-V42 PolarHBondContact O-N 3.45Å; R32-I56 HydrophobicContact CB-CG2 4.48Å; R32-I56 HydrophobicContact CG-CG2 4.12Å; R32-E59 HydrophobicContact CG-CG 3.87Å; R32-E59 IonicContact CZ-OE1 3.34Å; R32-E59 VanDerWaalsContact CZ-OE1 3.22Å; R32-E59 IonicContact NE-OE1 3.4Å; R32-E59 PolarHBondContact NE-OE1 3.3Å; R32-E59 IonicContact NH2-OE1 3.95Å; R32-E59 PolarHBondContact NH2-OE1 3.33Å
33L93.6Very high88.2Confident0 Ų054.4 Ų54.40%034%0.341CS..EExtended strand (participates in β ladder)trans-122.1131.7175-52.394.8000109.1L7 V42 L44 H57 A58 L60 F104L7-L33 HydrophobicContact CD1-CD2 3.6Å; L33-V42 WeakPolarHBondContact CA-O 3.29Å; L33-V42 HydrophobicContact CB-CB 4.32Å; L33-V42 HydrophobicContact CD2-CB 3.98Å; L33-V42 HydrophobicContact CD2-CG1 4.22Å; L33-V42 HydrophobicContact CD2-CG2 4.12Å; L33-V42 HydrophobicContact CG-CB 3.96Å; L33-V42 HydrophobicContact CG-CG2 4.27Å; L33-L44 HydrophobicContact CB-CD1 4Å; L33-L44 HydrophobicContact CB-CG 4.39Å; L33-H57 WeakPolarHBondContact O-CA 3.4Å; L33-H57 VanDerWaalsContact O-CB 3.28Å; L33-H57 WeakPolarHBondContact O-CB 3.48Å; L33-H57 PolarHBondContact O-N 3.37Å; L33-A58 PolarHBondContact N-O 2.72Å; L33-A58 PolarHBondContact O-N 2.88Å; L33-A58 VanDerWaalsContact O-N 3.09Å; L33-L60 HydrophobicContact CD1-CB 4.35Å; L33-L60 HydrophobicContact CD1-CD1 3.86Å; L33-L60 HydrophobicContact CD1-CG 3.77Å; L33-L60 HydrophobicContact CD2-CD1 4.44Å; L33-F104 HydrophobicContact CD2-CE2 4.18Å; L33-F104 HydrophobicContact CD2-CZ 4.02Å
34G91.3Very high88.3Confident0 Ų053.7 Ų53.70%034%0.337CS..EExtended strand (participates in β ladder)trans168.4178.7-17800000112.5R36 V42 A43 L44 G55G34-R36 VanDerWaalsContact C-N 3.29Å; G34-R36 PolarHBondContact O-N 2.72Å; G34-V42 PolarHBondContact N-O 3.5Å; G34-V42 VanDerWaalsContact N-O 3.11Å; G34-A43 CarbonylContact O-C 3.54Å; G34-A43 WeakPolarHBondContact O-CA 3.18Å; G34-L44 PolarHBondContact O-N 3.32Å; G34-G55 CarbonylContact C-O 3.6Å; G34-G55 WeakPolarHBondContact CA-O 3.28Å
35H87.9Confident88.3Confident85 Ų8559 Ų5939%0.39435%0.348SS..SBendtrans-74.1-21.3-176.178.1-117.5000113.2A37 L44 I53 S54 G55H35-A37 PolarHBondContact O-N 3.25Å; H35-A37 VanDerWaalsContact O-N 3.09Å; H35-L44 WeakPolarHBondContact CA-O 3.34Å; H35-I53 HydrophobicContact CB-CB 4.45Å; H35-I53 HydrophobicContact CB-CG2 4.03Å; H35-I53 PolarHBondContact ND1-O 3.32Å; H35-S54 PolarHBondContact N-O 3.5Å; H35-G55 PolarHBondContact N-O 3.3Å
36R89.1Confident88.1Confident104 Ų10455.9 Ų55.939%0.39232%0.32SS..  trans-81.190.6-177.2-81.2-169.769.1173.10.1111.4G34 D38 L39 C40 G55G34-R36 VanDerWaalsContact C-N 3.29Å; G34-R36 PolarHBondContact O-N 2.72Å; R36-D38 VanDerWaalsContact CB-OD1 3.23Å; R36-D38 WeakPolarHBondContact CB-OD1 3.47Å; R36-D38 IonicContact CZ-OD1 2.93Å; R36-D38 IonicContact CZ-OD2 2.84Å; R36-D38 IonicContact NE-OD1 3.1Å; R36-D38 PolarHBondContact NE-OD1 2.96Å; R36-D38 IonicContact NE-OD2 3.36Å; R36-D38 PolarHBondContact NE-OD2 2.89Å; R36-D38 IonicContact NH2-OD1 3.29Å; R36-D38 IonicContact NH2-OD2 3.71Å; R36-D38 PolarHBondContact NH2-OD2 3.42Å; R36-D38 PolarHBondContact O-N 2.88Å; R36-L39 HydrophobicContact CB-CB 4.22Å; R36-L39 PolarHBondContact O-N 3.07Å; R36-C40 VanDerWaalsContact O-CB 3.3Å; R36-C40 WeakPolarHBondContact O-CB 3.31Å; R36-C40 PolarHBondContact O-N 3.2Å; R36-C40 PolarHBondContact O-SG 3.45Å; R36-C40 VanDerWaalsContact O-SG 3.37Å; R36-G55 WeakPolarHBondContact CB-O 3.48Å; R36-G55 PolarHBondContact N-O 3.45Å; R36-G55 VanDerWaalsContact N-O 3.11Å
37A87.6Confident87.7Confident54 Ų5460.6 Ų60.645%0.44632%0.323SS..THydrogen-bonded Turntrans-59.8-8.7173.600000114.6H35 A43H35-A37 PolarHBondContact O-N 3.25Å; H35-A37 VanDerWaalsContact O-N 3.09Å; A37-A43 HydrophobicContact CB-CB 3.63Å
38D90.4Very high86.7Confident108 Ų10865.7 Ų65.758%0.57834%0.338SS*.THydrogen-bonded Turntrans-93.1-13.1173.267.1-53000113.7R36R36-D38 VanDerWaalsContact CB-OD1 3.23Å; R36-D38 WeakPolarHBondContact CB-OD1 3.47Å; R36-D38 IonicContact CZ-OD1 2.93Å; R36-D38 IonicContact CZ-OD2 2.84Å; R36-D38 IonicContact NE-OD1 3.1Å; R36-D38 PolarHBondContact NE-OD1 2.96Å; R36-D38 IonicContact NE-OD2 3.36Å; R36-D38 PolarHBondContact NE-OD2 2.89Å; R36-D38 IonicContact NH2-OD1 3.29Å; R36-D38 IonicContact NH2-OD2 3.71Å; R36-D38 PolarHBondContact NH2-OD2 3.42Å; R36-D38 PolarHBondContact O-N 2.88Å
39L89.1Confident85.6Confident73 Ų7368.5 Ų68.538%0.38234%0.337SS..THydrogen-bonded Turntrans-123.7-9.1177.9-63.2-174.6000114.2R32 R36 I56R32-L39 WeakPolarHBondContact CD-O 3.45Å; R36-L39 HydrophobicContact CB-CB 4.22Å; R36-L39 PolarHBondContact O-N 3.07Å; L39-I56 HydrophobicContact CB-CD1 4.43Å; L39-I56 HydrophobicContact CB-CG1 4.32Å; L39-I56 HydrophobicContact CD1-CD1 4.38Å
40C92Very high84.3Confident13 Ų1372.2 Ų72.29%0.08836%0.361CS..  trans-122.1131.2-172.3-57.20000112.2R32 R36 V42 G55R32-C40 HydrophobicContact CB-CB 4.11Å; R32-C40 CarbonylContact O-C 3.55Å; R32-C40 WeakPolarHBondContact O-CB 3.45Å; R36-C40 VanDerWaalsContact O-CB 3.3Å; R36-C40 WeakPolarHBondContact O-CB 3.31Å; R36-C40 PolarHBondContact O-N 3.2Å; R36-C40 PolarHBondContact O-SG 3.45Å; R36-C40 VanDerWaalsContact O-SG 3.37Å; C40-V42 PolarHBondContact O-N 3.23Å; C40-G55 PolarHBondContact SG-O 2.87Å
41D90.8Very high83Confident100 Ų10071.5 Ų71.554%0.53537%0.366SS..SBendtrans-60.9-32.7170.1-50.8-98.7000111.8Y31 R32Y31-D41 WeakPolarHBondContact CA-OD2 3.27Å; Y31-D41 HydrophobicContact CD1-CB 4.44Å; R32-D41 PolarHBondContact N-OD2 3.21Å; R32-D41 PolarHBondContact O-N 2.91Å
42V89.6Confident82.3Confident1 Ų172.9 Ų72.91%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-115.9107.2172.7-177.60000110.7Y19 F21 R32 L33 G34 C40 L44Y19-V42 HydrophobicContact CD1-CB 4.46Å; Y19-V42 HydrophobicContact CD1-CG1 4.01Å; Y19-V42 HydrophobicContact CD1-CG2 3.79Å; Y19-V42 HydrophobicContact CE1-CG1 3.78Å; Y19-V42 HydrophobicContact CE1-CG2 4.34Å; Y19-V42 HydrophobicContact CG-CG1 4.5Å; Y19-V42 HydrophobicContact CG-CG2 4.23Å; F21-V42 HydrophobicContact CE1-CG2 3.96Å; F21-V42 HydrophobicContact CZ-CG2 3.61Å; R32-V42 PolarHBondContact O-N 3.45Å; L33-V42 WeakPolarHBondContact CA-O 3.29Å; L33-V42 HydrophobicContact CB-CB 4.32Å; L33-V42 HydrophobicContact CD2-CB 3.98Å; L33-V42 HydrophobicContact CD2-CG1 4.22Å; L33-V42 HydrophobicContact CD2-CG2 4.12Å; L33-V42 HydrophobicContact CG-CB 3.96Å; L33-V42 HydrophobicContact CG-CG2 4.27Å; G34-V42 PolarHBondContact N-O 3.5Å; G34-V42 VanDerWaalsContact N-O 3.11Å; C40-V42 PolarHBondContact O-N 3.23Å; V42-L44 HydrophobicContact CG1-CD2 3.71Å; V42-L44 HydrophobicContact CG1-CG 4.28Å; V42-L44 PolarHBondContact O-N 3.21Å
43A88.8Confident82Confident33 Ų3368.2 Ų68.227%0.27336%0.358SS..EExtended strand (participates in β ladder)trans-79.490.6175.600000111.9G34 A37 R45G34-A43 CarbonylContact O-C 3.54Å; G34-A43 WeakPolarHBondContact O-CA 3.18Å; A37-A43 HydrophobicContact CB-CB 3.63Å; A43-R45 HydrophobicContact CB-CG 4.49Å; A43-R45 PolarHBondContact O-N 2.88Å; A43-R45 VanDerWaalsContact O-N 3.08Å
44L86.5Confident81.8Confident2 Ų269.2 Ų69.21%0.0137%0.365CS..  trans-74.491.3174.9-59.1-179.3000110L33 G34 H35 V42 P46 I53 F104 F117 F119L33-L44 HydrophobicContact CB-CD1 4Å; L33-L44 HydrophobicContact CB-CG 4.39Å; G34-L44 PolarHBondContact O-N 3.32Å; H35-L44 WeakPolarHBondContact CA-O 3.34Å; V42-L44 HydrophobicContact CG1-CD2 3.71Å; V42-L44 HydrophobicContact CG1-CG 4.28Å; V42-L44 PolarHBondContact O-N 3.21Å; L44-P46 WeakPolarHBondContact O-CD 3.28Å; L44-I53 HydrophobicContact CB-CG2 3.89Å; L44-I53 HydrophobicContact CD1-CG2 4.36Å; L44-F104 HydrophobicContact CD1-CB 4.03Å; L44-F104 HydrophobicContact CD1-CD2 3.87Å; L44-F104 HydrophobicContact CD1-CE2 4.5Å; L44-F104 HydrophobicContact CD1-CG 3.89Å; L44-F117 HydrophobicContact CB-CD1 3.9Å; L44-F117 HydrophobicContact CB-CE1 4.12Å; L44-F117 HydrophobicContact CB-CG 4.28Å; L44-F117 HydrophobicContact CD2-CD1 3.65Å; L44-F117 HydrophobicContact CD2-CE1 4.4Å; L44-F117 HydrophobicContact CD2-CG 4.28Å; L44-F117 HydrophobicContact CG-CD1 4.28Å; L44-F119 HydrophobicContact CD2-CE2 3.71Å; L44-F119 HydrophobicContact CD2-CZ 3.57Å
45R80.1Confident81.7Confident180 Ų18070.2 Ų70.268%0.67937%0.374SS*.  trans-98.496.4-175.7-69-175.6-179.6-179.71.9112.2A43 F117A43-R45 HydrophobicContact CB-CG 4.49Å; A43-R45 PolarHBondContact O-N 2.88Å; A43-R45 VanDerWaalsContact O-N 3.08Å; R45-F117 WeakPolarHBondContact O-CZ 3.39Å
46P72.1Confident81.9Confident31 Ų3168.4 Ų68.420%0.20137%0.367CS..  trans-54.4141.8175.219.3-33.3000112.8L44 E49 P50 E116 F117L44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-E49 VanDerWaalsContact CB-O 3.28Å; P46-E49 WeakPolarHBondContact CB-O 3.12Å; P46-P50 HydrophobicContact CG-CB 4.49Å; P46-E116 WeakPolarHBondContact CA-OE2 3.44Å; P46-E116 WeakPolarHBondContact CB-OE2 3.5Å; P46-F117 HydrophobicContact CB-CE2 3.94Å; P46-F117 HydrophobicContact CB-CZ 4.36Å; P46-F117 VanDerWaalsContact N-CZ 3.34Å
47Q66.1Low82.1Confident169 Ų16963.4 Ų63.479%0.7935%0.348SS*.SBendtrans-103.1-31.5-179.9-172.9174.14.300111.7E116Q47-E116 WeakPolarHBondContact CB-OE1 3.23Å; Q47-E116 PolarHBondContact N-OE1 3.1Å; Q47-E116 PolarHBondContact N-OE2 3.16Å
48Q62Low82.5Confident157 Ų15760.9 Ų60.973%0.73433%0.327SS*.SBendtrans-92.3-55.6171.8-68.4-176.7-6.700112.9E116Q48-E116 WeakPolarHBondContact CG-OE1 3.42Å; Q48-E116 PolarHBondContact N-OE1 3.21Å
49E65.3Low82.8Confident114 Ų11456.9 Ų56.953%0.53331%0.305SS..  trans-129.3100.4-165.1-79.7-66.116800113.7P46 G51 L52P46-E49 VanDerWaalsContact CB-O 3.28Å; P46-E49 WeakPolarHBondContact CB-O 3.12Å; E49-G51 PolarHBondContact O-N 3.08Å; E49-G51 VanDerWaalsContact O-N 3.13Å; E49-L52 HydrophobicContact CB-CD1 3.77Å; E49-L52 HydrophobicContact CB-CD2 4.39Å; E49-L52 HydrophobicContact CB-CG 3.7Å; E49-L52 PolarHBondContact O-N 3.17Å
50P63.3Low83.1Confident100 Ų10053.4 Ų53.465%0.64929%0.287SS*.THydrogen-bonded Turntrans-66.9-14.1-175.325.1-32.8000115.2P46 L52P46-P50 HydrophobicContact CG-CB 4.49Å; P50-L52 VanDerWaalsContact C-N 3.35Å
51G68.8Low83.2Confident49 Ų4953.2 Ų53.251%0.50529%0.285SS..THydrogen-bonded Turntrans-81-4.5178.200000115.7E49 Q79E49-G51 PolarHBondContact O-N 3.08Å; E49-G51 VanDerWaalsContact O-N 3.13Å; G51-Q79 PolarHBondContact O-NE2 3.07Å; G51-Q79 VanDerWaalsContact O-NE2 3.12Å
52L79.6Confident83.4Confident56 Ų5648.5 Ų48.529%0.29326%0.259SS..SBendtrans-85.7-20.2-172.1-57.2-169.3000114.4E49 P50 Q79 P106E49-L52 HydrophobicContact CB-CD1 3.77Å; E49-L52 HydrophobicContact CB-CD2 4.39Å; E49-L52 HydrophobicContact CB-CG 3.7Å; E49-L52 PolarHBondContact O-N 3.17Å; P50-L52 VanDerWaalsContact C-N 3.35Å; L52-Q79 VanDerWaalsContact O-CG 3.24Å; L52-Q79 WeakPolarHBondContact O-CG 3.29Å; L52-P106 HydrophobicContact CD1-CG 4.13Å; L52-P106 HydrophobicContact CD2-CG 3.87Å; L52-P106 HydrophobicContact CG-CG 4.44Å
53I87.5Confident83.5Confident4 Ų452.3 Ų52.32%0.02128%0.277CS..SBendtrans-118.8119.6-174.6-60.1-59.9000110.1H35 L44 H57 F104 F117H35-I53 HydrophobicContact CB-CB 4.45Å; H35-I53 HydrophobicContact CB-CG2 4.03Å; H35-I53 PolarHBondContact ND1-O 3.32Å; L44-I53 HydrophobicContact CB-CG2 3.89Å; L44-I53 HydrophobicContact CD1-CG2 4.36Å; I53-H57 HydrophobicContact CG2-CB 4.2Å; I53-F104 HydrophobicContact CD1-CB 3.93Å; I53-F117 HydrophobicContact CD1-CD2 3.65Å; I53-F117 HydrophobicContact CD1-CE2 4.39Å; I53-F117 HydrophobicContact CD1-CG 4.23Å; I53-F117 HydrophobicContact CG1-CD2 3.71Å; I53-F117 HydrophobicContact CG1-CE2 3.93Å
54S89.8Confident83.5Confident21 Ų2153.9 Ų53.915%0.14729%0.285CS..  trans-66159174.5-48.90000112.4H35 I56 H57 S77 S78H35-S54 PolarHBondContact N-O 3.5Å; S54-I56 VanDerWaalsContact CB-O 3.27Å; S54-I56 WeakPolarHBondContact CB-O 3.49Å; S54-I56 PolarHBondContact O-N 3.04Å; S54-H57 PolarHBondContact N-ND1 2.83Å; S54-S77 WeakPolarHBondContact OG-CA 3.39Å; S54-S78 PolarHBondContact OG-N 3.36Å; S54-S78 PolarHBondContact OG-OG 2.97Å; S54-S78 VanDerWaalsContact OG-OG 3.06Å
55G89.3Confident83.6Confident20 Ų2060.2 Ų60.221%0.20631%0.308CS..SBendtrans-56.1-54.7-173.900000112.8G34 H35 R36 C40G34-G55 CarbonylContact C-O 3.6Å; G34-G55 WeakPolarHBondContact CA-O 3.28Å; H35-G55 PolarHBondContact N-O 3.3Å; R36-G55 WeakPolarHBondContact CB-O 3.48Å; R36-G55 PolarHBondContact N-O 3.45Å; R36-G55 VanDerWaalsContact N-O 3.11Å; C40-G55 PolarHBondContact SG-O 2.87Å
56I92.6Very high83.8Confident47 Ų4755.2 Ų55.224%0.24131%0.313CS..SBendtrans-103.6130150.1-60.4162.6000105R32 L39 S54 E59R32-I56 HydrophobicContact CB-CG2 4.48Å; R32-I56 HydrophobicContact CG-CG2 4.12Å; L39-I56 HydrophobicContact CB-CD1 4.43Å; L39-I56 HydrophobicContact CB-CG1 4.32Å; L39-I56 HydrophobicContact CD1-CD1 4.38Å; S54-I56 VanDerWaalsContact CB-O 3.27Å; S54-I56 WeakPolarHBondContact CB-O 3.49Å; S54-I56 PolarHBondContact O-N 3.04Å; I56-E59 HydrophobicContact CG2-CG 4.28Å
57H93.2Very high84Confident0 Ų060.9 Ų60.90%034%0.342CS..  trans-105.4-48.1-175.8-166.4115.4000110.7L33 I53 S54 H76 S77 G80 T81 F104 G105L33-H57 WeakPolarHBondContact O-CA 3.4Å; L33-H57 VanDerWaalsContact O-CB 3.28Å; L33-H57 WeakPolarHBondContact O-CB 3.48Å; L33-H57 PolarHBondContact O-N 3.37Å; I53-H57 HydrophobicContact CG2-CB 4.2Å; S54-H57 PolarHBondContact N-ND1 2.83Å; H57-H76 CarbonylContact O-C 3.59Å; H57-H76 PolarHBondContact O-N 3.13Å; H57-S77 VanDerWaalsContact CD2-CB 3.41Å; H57-S77 WeakPolarHBondContact CD2-CB 3.49Å; H57-S77 WeakPolarHBondContact NE2-CB 3.48Å; H57-S77 WeakPolarHBondContact O-CB 3.39Å; H57-S77 PolarHBondContact O-N 3.36Å; H57-G80 PolarHBondContact NE2-O 3.28Å; H57-T81 PolarHBondContact CD2-OG1 3.15Å; H57-F104 AromaticContact CD2-CD1 3.64Å; H57-G105 PolarHBondContact CE1-N 3.28Å; H57-G105 VanDerWaalsContact CE1-N 3.25Å; H57-G105 PolarHBondContact NE2-N 2.79Å
58A95.1Very high84.6Confident0 Ų053.9 Ų53.90%031%0.309CS..EExtended strand (participates in β ladder)trans-145.9158.3177.500000111.1L33 L73 E74 F104L33-A58 PolarHBondContact N-O 2.72Å; L33-A58 PolarHBondContact O-N 2.88Å; L33-A58 VanDerWaalsContact O-N 3.09Å; A58-L73 HydrophobicContact CB-CD1 3.88Å; A58-E74 CarbonylContact C-O 3.56Å; A58-E74 WeakPolarHBondContact CA-O 3.3Å; A58-E74 WeakPolarHBondContact CB-O 3.4Å; A58-F104 HydrophobicContact CB-CD1 4.21Å; A58-F104 HydrophobicContact CB-CE1 3.68Å
59E96.4Very high85.7Confident25 Ų2547.3 Ų47.312%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-117.8136.5171.7-69.8-167174.300110.3T30 Y31 R32 I56 H61 L73 E74T30-E59 HydrophobicContact CG2-CB 3.86Å; T30-E59 HydrophobicContact CG2-CG 4.17Å; T30-E59 VanDerWaalsContact CG2-OE2 3.31Å; T30-E59 WeakPolarHBondContact CG2-OE2 3.35Å; Y31-E59 CarbonylContact O-C 3.46Å; Y31-E59 WeakPolarHBondContact O-CA 3.48Å; R32-E59 HydrophobicContact CG-CG 3.87Å; R32-E59 IonicContact CZ-OE1 3.34Å; R32-E59 VanDerWaalsContact CZ-OE1 3.22Å; R32-E59 IonicContact NE-OE1 3.4Å; R32-E59 PolarHBondContact NE-OE1 3.3Å; R32-E59 IonicContact NH2-OE1 3.95Å; R32-E59 PolarHBondContact NH2-OE1 3.33Å; I56-E59 HydrophobicContact CG2-CG 4.28Å; E59-H61 IonicContact OE2-CE1 2.72Å; E59-H61 PolarHBondContact OE2-CE1 2.75Å; E59-L73 WeakPolarHBondContact O-CA 3.35Å; E59-E74 PolarHBondContact N-O 2.99Å; E59-E74 PolarHBondContact O-N 3.38Å
60L96Very high87Confident0 Ų046.3 Ų46.30%027%0.269CS..EExtended strand (participates in β ladder)trans-102.5106.8170.9-79.4172.5000108.7F5 L7 F21 T30 Y31 L33 V71 S72 L73 L96F5-L60 HydrophobicContact CE2-CD1 4.12Å; L7-L60 HydrophobicContact CD1-CD1 4.01Å; L7-L60 HydrophobicContact CG-CD1 4.44Å; F21-L60 HydrophobicContact CE2-CD1 4.39Å; F21-L60 HydrophobicContact CZ-CD1 4.25Å; T30-L60 CarbonylContact C-O 3.59Å; T30-L60 VanDerWaalsContact CA-O 3.31Å; T30-L60 WeakPolarHBondContact CA-O 3.28Å; Y31-L60 PolarHBondContact N-O 3.22Å; Y31-L60 PolarHBondContact O-N 3.09Å; L33-L60 HydrophobicContact CD1-CB 4.35Å; L33-L60 HydrophobicContact CD1-CD1 3.86Å; L33-L60 HydrophobicContact CD1-CG 3.77Å; L33-L60 HydrophobicContact CD2-CD1 4.44Å; L60-V71 HydrophobicContact CD2-CG1 3.95Å; L60-S72 CarbonylContact C-O 3.59Å; L60-S72 WeakPolarHBondContact CA-O 3.43Å; L60-L73 HydrophobicContact CD2-CB 4.19Å; L60-L73 HydrophobicContact CD2-CD1 3.61Å; L60-L73 HydrophobicContact CD2-CG 4.5Å; L60-L73 HydrophobicContact CG-CD1 3.97Å; L60-L96 HydrophobicContact CD2-CD1 3.7Å
61H95.2Very high88.4Confident9 Ų941.6 Ų41.64%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-91.1121175-49.5-74.3000109.3T30 E59 V71 S72 E74 R93T30-H61 VanDerWaalsContact CG2-CE1 3.49Å; T30-H61 WeakPolarHBondContact CG2-CE1 3.41Å; T30-H61 VanDerWaalsContact CG2-ND1 3.32Å; T30-H61 WeakPolarHBondContact CG2-ND1 3.4Å; T30-H61 PolarHBondContact OG1-ND1 2.99Å; E59-H61 IonicContact OE2-CE1 2.72Å; E59-H61 PolarHBondContact OE2-CE1 2.75Å; H61-V71 CarbonylContact O-C 3.38Å; H61-V71 WeakPolarHBondContact O-CA 3.23Å; H61-S72 PolarHBondContact N-O 2.79Å; H61-S72 PolarHBondContact O-N 3.34Å; H61-E74 IonicContact NE2-OE2 3.09Å; H61-E74 PolarHBondContact NE2-OE2 2.78Å; H61-R93 VanDerWaalsContact CD2-CZ 3.43Å; H61-R93 PolarHBondContact CE1-NH2 3.47Å; H61-R93 PolarHBondContact NE2-NH2 2.93Å; H61-R93 VanDerWaalsContact NE2-NH2 3.16Å
62A93.4Very high89.7Confident0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-109.1117174.400000109.5F5 P23 G28 C29 W69 R70 V71F5-A62 HydrophobicContact CE1-CB 3.59Å; F5-A62 HydrophobicContact CZ-CB 4.07Å; P23-A62 HydrophobicContact CG-CB 4.13Å; G28-A62 CarbonylContact C-O 3.5Å; G28-A62 VanDerWaalsContact CA-O 3.29Å; G28-A62 WeakPolarHBondContact CA-O 3.4Å; C29-A62 PolarHBondContact N-O 3.45Å; C29-A62 PolarHBondContact O-N 3.43Å; A62-W69 HydrophobicContact CB-CE3 4Å; A62-R70 CarbonylContact C-O 3.57Å; A62-R70 WeakPolarHBondContact CA-O 3.24Å; A62-V71 HydrophobicContact CB-CG2 4.21Å
63E92.3Very high90.5Very high82 Ų8237 Ų3738%0.38320%0.203SC..EExtended strand (participates in β ladder)trans-112.7134.6-176.2-61.9176.9170.700110R65 W69 R70 R93E63-R65 PolarHBondContact O-N 3.08Å; E63-W69 VanDerWaalsContact C-CE3 3.41Å; E63-W69 CarbonylContact O-C 3.57Å; E63-W69 WeakPolarHBondContact O-CA 3.48Å; E63-R70 HydrophobicContact CB-CB 4.46Å; E63-R70 PolarHBondContact N-O 3.33Å; E63-R70 PolarHBondContact O-N 3.09Å; E63-R93 IonicContact OE1-NH1 2.76Å
64P89.1Confident91Very high66 Ų6638 Ų3843%0.42921%0.208SC..EExtended strand (participates in β ladder)trans-69.6132.2-177.527.8-33.7000111.4W69P64-W69 HydrophobicContact CB-CE3 4.31Å; P64-W69 HydrophobicContact CB-CH2 4.02Å; P64-W69 HydrophobicContact CB-CZ2 4.44Å; P64-W69 HydrophobicContact CB-CZ3 3.96Å; P64-W69 HydrophobicContact CG-CZ3 4.3Å
65R88.4Confident91.2Very high134 Ų13437.2 Ų37.251%0.50620%0.202SC..EExtended strand (participates in β ladder)trans-131.466.7-174.8-171-175.8179.2162.10.6110E63 D68 E95E63-R65 PolarHBondContact O-N 3.08Å; R65-D68 CarbonylContact C-O 3.58Å; R65-D68 WeakPolarHBondContact CA-O 3.27Å; R65-D68 PolarHBondContact N-O 3.02Å; R65-D68 PolarHBondContact O-N 2.85Å; R65-E95 IonicContact CZ-OE1 3.95Å; R65-E95 IonicContact NH1-OE1 2.76Å; R65-E95 PolarHBondContact NH1-OE1 3.19Å
66G83.4Confident91.4Very high75 Ų7538.8 Ų38.877%0.77320%0.204SC*.THydrogen-bonded Turntrans71-126.3-173.100000110.8D68G66-D68 PolarHBondContact O-N 3.37Å
67D76.9Confident91.3Very high151 Ų15136.7 Ų36.781%0.80719%0.194SC*.THydrogen-bonded Turntrans-77.54.8177.6-61.3-42.8000114.3P3P3-D67 WeakPolarHBondContact CG-O 3.36Å
68D78.4Confident91.1Very high21 Ų2140.7 Ų40.711%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-142.7-171.7-177.4-149.2-14.5000111.7R65 G66 R125R65-D68 CarbonylContact C-O 3.58Å; R65-D68 WeakPolarHBondContact CA-O 3.27Å; R65-D68 PolarHBondContact N-O 3.02Å; R65-D68 PolarHBondContact O-N 2.85Å; G66-D68 PolarHBondContact O-N 3.37Å; D68-R125 IonicContact OD2-CZ 3.71Å; D68-R125 IonicContact OD2-NE 2.69Å; D68-R125 PolarHBondContact OD2-NE 3.36Å; D68-R125 IonicContact OD2-NH2 3.22Å; D68-R125 PolarHBondContact OD2-NH2 3.29Å
69W85.6Confident90.6Very high19 Ų1943.9 Ų43.97%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-122.8145.1-177-61.874.5000112.2P3 P23 P24 A27 A62 E63 P64 V71 Q123P3-W69 VanDerWaalsContact CB-CD1 3.4Å; P23-W69 HydrophobicContact CB-CD2 3.69Å; P23-W69 HydrophobicContact CB-CE3 3.73Å; P23-W69 HydrophobicContact CB-CH2 3.52Å; P23-W69 HydrophobicContact CB-CZ2 3.46Å; P23-W69 VanDerWaalsContact CB-CZ2 3.46Å; P23-W69 HydrophobicContact CB-CZ3 3.65Å; P23-W69 HydrophobicContact CG-CD2 3.96Å; P23-W69 HydrophobicContact CG-CE3 4.18Å; P23-W69 HydrophobicContact CG-CG 4.35Å; P24-W69 VanDerWaalsContact O-CH2 3.3Å; P24-W69 WeakPolarHBondContact O-CH2 3.25Å; A27-W69 VanDerWaalsContact O-CH2 3.23Å; A27-W69 WeakPolarHBondContact O-CH2 3.48Å; A27-W69 WeakPolarHBondContact O-CZ3 3.1Å; A62-W69 HydrophobicContact CB-CE3 4Å; E63-W69 VanDerWaalsContact C-CE3 3.41Å; E63-W69 CarbonylContact O-C 3.57Å; E63-W69 WeakPolarHBondContact O-CA 3.48Å; P64-W69 HydrophobicContact CB-CE3 4.31Å; P64-W69 HydrophobicContact CB-CH2 4.02Å; P64-W69 HydrophobicContact CB-CZ2 4.44Å; P64-W69 HydrophobicContact CB-CZ3 3.96Å; P64-W69 HydrophobicContact CG-CZ3 4.3Å; W69-V71 HydrophobicContact CB-CG2 4.49Å; W69-Q123 PolarHBondContact O-NE2 3.25Å
70R91.7Very high90.2Very high94 Ų9442.7 Ų42.736%0.35523%0.231SC..EExtended strand (participates in β ladder)trans-88.3125.8156.5-169.1-172.8-55.5-114.78.3106.8A62 E63 E95A62-R70 CarbonylContact C-O 3.57Å; A62-R70 WeakPolarHBondContact CA-O 3.24Å; E63-R70 HydrophobicContact CB-CB 4.46Å; E63-R70 PolarHBondContact N-O 3.33Å; E63-R70 PolarHBondContact O-N 3.09Å; R70-E95 WeakPolarHBondContact CD-OE2 3.43Å; R70-E95 HydrophobicContact CG-CG 3.85Å; R70-E95 IonicContact CZ-OE2 3.53Å; R70-E95 IonicContact NE-OE2 3.76Å; R70-E95 IonicContact NH1-OE1 3.85Å; R70-E95 IonicContact NH1-OE2 2.64Å; R70-E95 PolarHBondContact NH1-OE2 3.03Å
71V94.4Very high90Very high1 Ų142.7 Ų42.71%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-110.8134.3171.4-175.70000108.1F5 L60 H61 A62 W69 E95 L96 F121F5-V71 HydrophobicContact CD1-CG2 3.56Å; F5-V71 HydrophobicContact CD2-CG1 4.48Å; F5-V71 HydrophobicContact CD2-CG2 4.44Å; F5-V71 HydrophobicContact CE1-CG1 4.49Å; F5-V71 HydrophobicContact CE1-CG2 3.72Å; F5-V71 HydrophobicContact CE2-CG1 4.18Å; F5-V71 HydrophobicContact CG-CG2 3.94Å; F5-V71 HydrophobicContact CZ-CG1 4.17Å; F5-V71 HydrophobicContact CZ-CG2 4.22Å; L60-V71 HydrophobicContact CD2-CG1 3.95Å; H61-V71 CarbonylContact O-C 3.38Å; H61-V71 WeakPolarHBondContact O-CA 3.23Å; A62-V71 HydrophobicContact CB-CG2 4.21Å; W69-V71 HydrophobicContact CB-CG2 4.49Å; V71-E95 WeakPolarHBondContact O-CA 3.18Å; V71-L96 PolarHBondContact O-N 3.13Å; V71-F121 HydrophobicContact CB-CE2 3.97Å; V71-F121 HydrophobicContact CB-CZ 3.68Å; V71-F121 HydrophobicContact CG1-CE2 3.78Å; V71-F121 HydrophobicContact CG1-CZ 4.04Å; V71-F121 HydrophobicContact CG2-CE2 4.19Å; V71-F121 HydrophobicContact CG2-CZ 3.88Å
72S96Very high89.8Confident7 Ų742.8 Ų42.85%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-133.5145.8175.462.70000111.7L60 H61 L94L60-S72 CarbonylContact C-O 3.59Å; L60-S72 WeakPolarHBondContact CA-O 3.43Å; H61-S72 PolarHBondContact N-O 2.79Å; H61-S72 PolarHBondContact O-N 3.34Å; S72-L94 CarbonylContact C-O 3.59Å; S72-L94 WeakPolarHBondContact CA-O 3.47Å; S72-L94 WeakPolarHBondContact CB-O 3.38Å
73L96.4Very high89.7Confident0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-102.9133.9179-172.667.6000109.8A58 E59 L60 T81 V83 L88 R93 L94 L96 L102 F104A58-L73 HydrophobicContact CB-CD1 3.88Å; E59-L73 WeakPolarHBondContact O-CA 3.35Å; L60-L73 HydrophobicContact CD2-CB 4.19Å; L60-L73 HydrophobicContact CD2-CD1 3.61Å; L60-L73 HydrophobicContact CD2-CG 4.5Å; L60-L73 HydrophobicContact CG-CD1 3.97Å; L73-T81 HydrophobicContact CD2-CG2 3.73Å; L73-V83 HydrophobicContact CD2-CG2 3.72Å; L73-L88 HydrophobicContact CB-CD2 4.5Å; L73-L88 HydrophobicContact CD2-CD2 4.43Å; L73-L88 HydrophobicContact CG-CD2 4.26Å; L73-R93 WeakPolarHBondContact O-CA 3.42Å; L73-L94 PolarHBondContact N-O 2.66Å; L73-L94 PolarHBondContact O-N 3.03Å; L73-L96 HydrophobicContact CB-CD1 4.21Å; L73-L96 HydrophobicContact CB-CD2 4.08Å; L73-L96 HydrophobicContact CB-CG 4.24Å; L73-L102 HydrophobicContact CD2-CD1 4.16Å; L73-L102 HydrophobicContact CD2-CD2 4.11Å; L73-F104 HydrophobicContact CD1-CE1 4.28Å; L73-F104 HydrophobicContact CD1-CZ 4.43Å
74E96.4Very high89.6Confident27 Ų2742.5 Ų42.513%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-119.7127.3172.5-161.5176.5143.900110.3A58 E59 H61 H76 R93A58-E74 CarbonylContact C-O 3.56Å; A58-E74 WeakPolarHBondContact CA-O 3.3Å; A58-E74 WeakPolarHBondContact CB-O 3.4Å; E59-E74 PolarHBondContact N-O 2.99Å; E59-E74 PolarHBondContact O-N 3.38Å; H61-E74 IonicContact NE2-OE2 3.09Å; H61-E74 PolarHBondContact NE2-OE2 2.78Å; E74-H76 IonicContact OE1-CE1 3.03Å; E74-H76 PolarHBondContact OE1-CE1 3.16Å; E74-H76 IonicContact OE1-NE2 2.66Å; E74-R93 HydrophobicContact CB-CG 4.11Å; E74-R93 HydrophobicContact CG-CG 4.13Å; E74-R93 WeakPolarHBondContact OE2-CG 3.43Å; E74-R93 IonicContact OE2-CZ 3.86Å; E74-R93 VanDerWaalsContact OE2-CZ 3.29Å; E74-R93 IonicContact OE2-NE 2.66Å; E74-R93 PolarHBondContact OE2-NE 3.12Å; E74-R93 IonicContact OE2-NH2 3.88Å; E74-R93 PolarHBondContact OE2-NH2 3.06Å
75D95.2Very high89.4Confident4 Ų444.7 Ų44.72%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-85123.2176.6176.957.2000111.5S77 T81 L88 R90 G91D75-S77 VanDerWaalsContact OD1-CB 3.27Å; D75-S77 WeakPolarHBondContact OD1-CB 3.28Å; D75-S77 PolarHBondContact OD1-N 3.32Å; D75-S77 PolarHBondContact OD1-OG 3.36Å; D75-T81 WeakPolarHBondContact OD1-CB 3.17Å; D75-T81 PolarHBondContact OD1-N 3.17Å; D75-T81 PolarHBondContact OD1-OG1 3.11Å; D75-L88 HydrophobicContact CB-CB 4.45Å; D75-L88 HydrophobicContact CB-CD2 4.02Å; D75-L88 HydrophobicContact CB-CG 4.27Å; D75-R90 CarbonylContact O-C 3.56Å; D75-R90 WeakPolarHBondContact O-CA 3.5Å; D75-R90 VanDerWaalsContact O-CG 3.29Å; D75-R90 WeakPolarHBondContact O-CG 3.4Å; D75-G91 PolarHBondContact O-N 2.95Å
76H93Very high89.3Confident53 Ų5343.3 Ų43.325%0.24525%0.247CC..  trans-113.6-0.2172.4-61.3-74.5000112.7H57 E74 R90H57-H76 CarbonylContact O-C 3.59Å; H57-H76 PolarHBondContact O-N 3.13Å; E74-H76 IonicContact OE1-CE1 3.03Å; E74-H76 PolarHBondContact OE1-CE1 3.16Å; E74-H76 IonicContact OE1-NE2 2.66Å; H76-R90 PolarHBondContact O-NE 2.98Å; H76-R90 VanDerWaalsContact O-NE 3.16Å; H76-R90 PolarHBondContact O-NH2 3.11Å
77S91.1Very high89.6Confident3 Ų345.8 Ų45.82%0.02123%0.233CC..  trans-72175.4-167.475.10000114.1S54 H57 D75 G80 R90S54-S77 WeakPolarHBondContact OG-CA 3.39Å; H57-S77 VanDerWaalsContact CD2-CB 3.41Å; H57-S77 WeakPolarHBondContact CD2-CB 3.49Å; H57-S77 WeakPolarHBondContact NE2-CB 3.48Å; H57-S77 WeakPolarHBondContact O-CB 3.39Å; H57-S77 PolarHBondContact O-N 3.36Å; D75-S77 VanDerWaalsContact OD1-CB 3.27Å; D75-S77 WeakPolarHBondContact OD1-CB 3.28Å; D75-S77 PolarHBondContact OD1-N 3.32Å; D75-S77 PolarHBondContact OD1-OG 3.36Å; S77-G80 VanDerWaalsContact OG-C 3.29Å; S77-G80 WeakPolarHBondContact OG-CA 3.41Å; S77-G80 PolarHBondContact OG-N 2.8Å; S77-R90 WeakPolarHBondContact O-CD 3.41Å; S77-R90 PolarHBondContact O-NE 3.04Å
78S87.6Confident90.3Very high84 Ų8439.1 Ų39.159%0.58720%0.198SC*.SBendtrans-96.2-27.2170520000113.3S54S54-S78 PolarHBondContact OG-N 3.36Å; S54-S78 PolarHBondContact OG-OG 2.97Å; S54-S78 VanDerWaalsContact OG-OG 3.06Å
79Q85.3Confident90.9Very high66 Ų6641.6 Ų41.631%0.30822%0.215SC..SBendtrans-94.2-21.7-177.6-54.1-61.41.300113.3G51 L52 R87 P106G51-Q79 PolarHBondContact O-NE2 3.07Å; G51-Q79 VanDerWaalsContact O-NE2 3.12Å; L52-Q79 VanDerWaalsContact O-CG 3.24Å; L52-Q79 WeakPolarHBondContact O-CG 3.29Å; Q79-R87 PolarHBondContact O-NH2 3.26Å; Q79-P106 HydrophobicContact CB-CB 4.38Å
80G88.3Confident91.1Very high1 Ų148.6 Ų48.61%0.0124%0.241CC..  trans104.6153.1-173.400000112.8H57 S77 G105H57-G80 PolarHBondContact NE2-O 3.28Å; S77-G80 VanDerWaalsContact OG-C 3.29Å; S77-G80 WeakPolarHBondContact OG-CA 3.41Å; S77-G80 PolarHBondContact OG-N 2.8Å; G80-G105 PolarHBondContact O-N 2.81Å
81T91.9Very high91Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-111.3143.7164.1-58.80000108.2H57 L73 D75 L88 F104H57-T81 PolarHBondContact CD2-OG1 3.15Å; L73-T81 HydrophobicContact CD2-CG2 3.73Å; D75-T81 WeakPolarHBondContact OD1-CB 3.17Å; D75-T81 PolarHBondContact OD1-N 3.17Å; D75-T81 PolarHBondContact OD1-OG1 3.11Å; T81-L88 WeakPolarHBondContact O-CB 3.5Å; T81-L88 PolarHBondContact O-N 2.84Å; T81-F104 HydrophobicContact CG2-CD1 3.61Å; T81-F104 HydrophobicContact CG2-CE1 3.56Å
82L91Very high90.7Very high10 Ų1051.5 Ų51.55%0.05227%0.27CS..EExtended strand (participates in β ladder)trans-119.4144.7175-53.388.2000110.7V86 R87 L102 T103 E107L82-V86 CarbonylContact C-O 3.51Å; L82-V86 VanDerWaalsContact CA-O 3.32Å; L82-V86 WeakPolarHBondContact CA-O 3.27Å; L82-R87 HydrophobicContact CD2-CB 4.45Å; L82-R87 HydrophobicContact CG-CB 4.27Å; L82-L102 WeakPolarHBondContact O-CA 3.41Å; L82-T103 HydrophobicContact CD1-CG2 4.48Å; L82-T103 PolarHBondContact N-O 2.87Å; L82-T103 PolarHBondContact O-N 2.92Å; L82-E107 HydrophobicContact CD2-CB 4.35Å; L82-E107 HydrophobicContact CD2-CG 4.19Å
83V91.9Very high90.6Very high6 Ų657.4 Ų57.44%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-126.1122.5173.3-175.40000108L73 N85 V86 L94 L96 D100 L101 L102L73-V83 HydrophobicContact CD2-CG2 3.72Å; V83-N85 PolarHBondContact O-N 2.99Å; V83-V86 PolarHBondContact N-O 3.47Å; V83-V86 WeakPolarHBondContact O-CB 3.2Å; V83-V86 PolarHBondContact O-N 2.88Å; V83-L94 HydrophobicContact CB-CD2 3.82Å; V83-L94 HydrophobicContact CG1-CD2 3.93Å; V83-L94 HydrophobicContact CG2-CD2 3.97Å; V83-L96 HydrophobicContact CG1-CD2 4.12Å; V83-L96 HydrophobicContact CG2-CD2 4.46Å; V83-D100 HydrophobicContact CG1-CB 4.29Å; V83-L101 CarbonylContact C-O 3.55Å; V83-L101 WeakPolarHBondContact CA-O 3.42Å; V83-L102 HydrophobicContact CB-CD2 4.45Å; V83-L102 HydrophobicContact CG1-CD2 3.96Å; V83-L102 HydrophobicContact CG2-CD2 4Å
84N89.5Confident90.5Very high71 Ų7160.9 Ų60.938%0.3831%0.309SS..THydrogen-bonded Turntrans51.738.1-173.1-61.8-35.9000113.3V86 D100 L101N84-V86 PolarHBondContact O-N 3.37Å; N84-D100 PolarHBondContact ND2-OD1 3.04Å; N84-L101 PolarHBondContact N-O 2.76Å; N84-L101 PolarHBondContact OD1-N 3.48Å
85N84.5Confident90.5Very high112 Ų11263.2 Ų63.260%0.59932%0.32SS*.THydrogen-bonded Turntrans64.26.3-172.2-47.8-50.9000115.7V83V83-N85 PolarHBondContact O-N 2.99Å
86V86.9Confident90.4Very high104 Ų10463.3 Ų63.363%0.6332%0.321SS*.EExtended strand (participates in β ladder)trans-90.8124.5169.5-176.80000108.6L82 V83 N84 L88L82-V86 CarbonylContact C-O 3.51Å; L82-V86 VanDerWaalsContact CA-O 3.32Å; L82-V86 WeakPolarHBondContact CA-O 3.27Å; V83-V86 PolarHBondContact N-O 3.47Å; V83-V86 WeakPolarHBondContact O-CB 3.2Å; V83-V86 PolarHBondContact O-N 2.88Å; N84-V86 PolarHBondContact O-N 3.37Å; V86-L88 PolarHBondContact O-N 2.88Å
87R88.7Confident90.4Very high127 Ų12764.1 Ų64.148%0.47933%0.332SS..EExtended strand (participates in β ladder)trans-69122.8178.4-172.5173.8178.1164.33.1111.1Q79 L82Q79-R87 PolarHBondContact O-NH2 3.26Å; L82-R87 HydrophobicContact CD2-CB 4.45Å; L82-R87 HydrophobicContact CG-CB 4.27Å
88L92.1Very high90.5Very high12 Ų1268.8 Ų68.86%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-71.8129.9175.8-174.262.6000109.4L73 D75 T81 V86 L94L73-L88 HydrophobicContact CB-CD2 4.5Å; L73-L88 HydrophobicContact CD2-CD2 4.43Å; L73-L88 HydrophobicContact CG-CD2 4.26Å; D75-L88 HydrophobicContact CB-CB 4.45Å; D75-L88 HydrophobicContact CB-CD2 4.02Å; D75-L88 HydrophobicContact CB-CG 4.27Å; T81-L88 WeakPolarHBondContact O-CB 3.5Å; T81-L88 PolarHBondContact O-N 2.84Å; V86-L88 PolarHBondContact O-N 2.88Å; L88-L94 HydrophobicContact CD1-CB 3.64Å; L88-L94 HydrophobicContact CD1-CD2 4.24Å
89P90.7Very high90.5Very high73 Ų7366.6 Ų66.647%0.47435%0.347SS..PPolyproline II helixtrans-66.2136.5172.1-21.134.2000111G91 H92P89-G91 PolarHBondContact O-N 2.93Å; P89-H92 HydrophobicContact CB-CB 4.24Å; P89-H92 WeakPolarHBondContact O-CB 3.36Å; P89-H92 PolarHBondContact O-N 3.26Å; P89-H92 VanDerWaalsContact O-N 3.09Å
90R91.2Very high90.9Very high166 Ų16664.5 Ų64.563%0.62634%0.338SS*.THydrogen-bonded Turntrans-57.6135.9-178.1-162.6176-177.8-95.2-5.9111.3D75 H76 S77 H92D75-R90 CarbonylContact O-C 3.56Å; D75-R90 WeakPolarHBondContact O-CA 3.5Å; D75-R90 VanDerWaalsContact O-CG 3.29Å; D75-R90 WeakPolarHBondContact O-CG 3.4Å; H76-R90 PolarHBondContact O-NE 2.98Å; H76-R90 VanDerWaalsContact O-NE 3.16Å; H76-R90 PolarHBondContact O-NH2 3.11Å; S77-R90 WeakPolarHBondContact O-CD 3.41Å; S77-R90 PolarHBondContact O-NE 3.04Å; R90-H92 PolarHBondContact O-N 3.19Å; R90-H92 PolarHBondContact O-ND1 3.41Å
91G88.4Confident91Very high42 Ų4266.5 Ų66.543%0.43335%0.348SS..THydrogen-bonded Turntrans66.716.9-176.700000115.1D75 P89D75-G91 PolarHBondContact O-N 2.95Å; P89-G91 PolarHBondContact O-N 2.93Å
92H88.9Confident91Very high113 Ų11366.5 Ų66.552%0.52335%0.348SS..  trans-107.7139.1172.6-65.253.6000110P89 R90P89-H92 HydrophobicContact CB-CB 4.24Å; P89-H92 WeakPolarHBondContact O-CB 3.36Å; P89-H92 PolarHBondContact O-N 3.26Å; P89-H92 VanDerWaalsContact O-N 3.09Å; R90-H92 PolarHBondContact O-N 3.19Å; R90-H92 PolarHBondContact O-ND1 3.41Å
93R92.9Very high91Very high132 Ų13266.6 Ų66.650%0.49835%0.349SS..EExtended strand (participates in β ladder)trans-91.8131.8176.6-67.3-177.7-175.4-159.7-9111.3H61 E63 L73 E74H61-R93 VanDerWaalsContact CD2-CZ 3.43Å; H61-R93 PolarHBondContact CE1-NH2 3.47Å; H61-R93 PolarHBondContact NE2-NH2 2.93Å; H61-R93 VanDerWaalsContact NE2-NH2 3.16Å; E63-R93 IonicContact OE1-NH1 2.76Å; L73-R93 WeakPolarHBondContact O-CA 3.42Å; E74-R93 HydrophobicContact CB-CG 4.11Å; E74-R93 HydrophobicContact CG-CG 4.13Å; E74-R93 WeakPolarHBondContact OE2-CG 3.43Å; E74-R93 IonicContact OE2-CZ 3.86Å; E74-R93 VanDerWaalsContact OE2-CZ 3.29Å; E74-R93 IonicContact OE2-NE 2.66Å; E74-R93 PolarHBondContact OE2-NE 3.12Å; E74-R93 IonicContact OE2-NH2 3.88Å; E74-R93 PolarHBondContact OE2-NH2 3.06Å
94L95Very high90.8Very high73 Ų7366.3 Ų66.338%0.38235%0.348SS..EExtended strand (participates in β ladder)trans-119.3123.6170.7177.960.1000109.7S72 L73 V83 L88S72-L94 CarbonylContact C-O 3.59Å; S72-L94 WeakPolarHBondContact CA-O 3.47Å; S72-L94 WeakPolarHBondContact CB-O 3.38Å; L73-L94 PolarHBondContact N-O 2.66Å; L73-L94 PolarHBondContact O-N 3.03Å; V83-L94 HydrophobicContact CB-CD2 3.82Å; V83-L94 HydrophobicContact CG1-CD2 3.93Å; V83-L94 HydrophobicContact CG2-CD2 3.97Å; L88-L94 HydrophobicContact CD1-CB 3.64Å; L88-L94 HydrophobicContact CD1-CD2 4.24Å
95E95.6Very high90.5Very high75 Ų7563 Ų6335%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-66.6127.9172.4-179.9168.9164.300109.9R65 R70 V71R65-E95 IonicContact CZ-OE1 3.95Å; R65-E95 IonicContact NH1-OE1 2.76Å; R65-E95 PolarHBondContact NH1-OE1 3.19Å; R70-E95 WeakPolarHBondContact CD-OE2 3.43Å; R70-E95 HydrophobicContact CG-CG 3.85Å; R70-E95 IonicContact CZ-OE2 3.53Å; R70-E95 IonicContact NE-OE2 3.76Å; R70-E95 IonicContact NH1-OE1 3.85Å; R70-E95 IonicContact NH1-OE2 2.64Å; R70-E95 PolarHBondContact NH1-OE2 3.03Å; V71-E95 WeakPolarHBondContact O-CA 3.18Å
96L94.5Very high90Very high6 Ų659.6 Ų59.63%0.03131%0.314CS..  trans-92142.6-178.7-59.5-174.9000111.5L60 V71 L73 V83 D100 L102 F121L60-L96 HydrophobicContact CD2-CD1 3.7Å; V71-L96 PolarHBondContact O-N 3.13Å; L73-L96 HydrophobicContact CB-CD1 4.21Å; L73-L96 HydrophobicContact CB-CD2 4.08Å; L73-L96 HydrophobicContact CB-CG 4.24Å; V83-L96 HydrophobicContact CG1-CD2 4.12Å; V83-L96 HydrophobicContact CG2-CD2 4.46Å; L96-D100 WeakPolarHBondContact CA-OD2 3.35Å; L96-L102 HydrophobicContact CD1-CD1 4.02Å; L96-L102 HydrophobicContact CD1-CD2 4.15Å; L96-L102 HydrophobicContact CD2-CD2 3.84Å; L96-F121 HydrophobicContact CB-CD1 3.62Å; L96-F121 HydrophobicContact CB-CD2 4.37Å; L96-F121 HydrophobicContact CB-CE1 3.68Å; L96-F121 HydrophobicContact CB-CE2 4.42Å; L96-F121 HydrophobicContact CB-CG 3.98Å; L96-F121 HydrophobicContact CB-CZ 4.1Å; L96-F121 HydrophobicContact CD1-CB 4.22Å; L96-F121 HydrophobicContact CD1-CD1 4.34Å; L96-F121 HydrophobicContact CD1-CD2 3.72Å; L96-F121 HydrophobicContact CD1-CE2 4.15Å; L96-F121 HydrophobicContact CD1-CG 3.82Å
97S93Very high89.1Confident70 Ų7060.7 Ų60.749%0.4931%0.312SS..  trans-116.8154.4177-61.80000111.7G99 D100 F121S97-G99 PolarHBondContact O-N 3.39Å; S97-D100 PolarHBondContact N-OD2 2.97Å; S97-D100 VanDerWaalsContact O-CB 3.29Å; S97-D100 WeakPolarHBondContact O-CB 3.47Å; S97-D100 VanDerWaalsContact O-CG 3.31Å; S97-D100 PolarHBondContact O-N 3.16Å; S97-F121 WeakPolarHBondContact O-CD1 3.31Å
98D91.5Very high87.8Confident102 Ų10256.4 Ų56.455%0.54531%0.308SS..THydrogen-bonded Turntrans-54.7121.7178.5-73.3-19.1000112.4Q123D98-Q123 WeakPolarHBondContact OD1-CB 3.41Å; D98-Q123 PolarHBondContact OD1-N 3.24Å
99G87.8Confident86.1Confident37 Ų3759.9 Ų59.938%0.38133%0.332SS..THydrogen-bonded Turntrans94.9-1.7-17700000114.9S97 F121S97-G99 PolarHBondContact O-N 3.39Å; G99-F121 PolarHBondContact N-O 3.09Å
100D93.8Very high84.3Confident23 Ų2363.1 Ų63.112%0.12335%0.353CS..  trans-61.8135.7176.1-82-16.3000112.1V83 N84 L96 S97 L102 M120 F121V83-D100 HydrophobicContact CG1-CB 4.29Å; N84-D100 PolarHBondContact ND2-OD1 3.04Å; L96-D100 WeakPolarHBondContact CA-OD2 3.35Å; S97-D100 PolarHBondContact N-OD2 2.97Å; S97-D100 VanDerWaalsContact O-CB 3.29Å; S97-D100 WeakPolarHBondContact O-CB 3.47Å; S97-D100 VanDerWaalsContact O-CG 3.31Å; S97-D100 PolarHBondContact O-N 3.16Å; D100-L102 HydrophobicContact CB-CD2 4.47Å; D100-M120 CarbonylContact O-C 3.58Å; D100-M120 WeakPolarHBondContact O-CA 3.32Å; D100-F121 PolarHBondContact O-N 2.95Å
101L91.3Very high82.5Confident42 Ų4259.3 Ų59.322%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-104.1110.5-171.7-62.3164.1000110.1V83 N84 Y118 F119 M120V83-L101 CarbonylContact C-O 3.55Å; V83-L101 WeakPolarHBondContact CA-O 3.42Å; N84-L101 PolarHBondContact N-O 2.76Å; N84-L101 PolarHBondContact OD1-N 3.48Å; L101-Y118 HydrophobicContact CB-CE2 4.04Å; L101-Y118 WeakPolarHBondContact CD1-OH 3.48Å; L101-F119 CarbonylContact C-O 3.54Å; L101-F119 WeakPolarHBondContact CA-O 3.42Å; L101-M120 HydrophobicContact CD2-CB 4.05Å; L101-M120 HydrophobicContact CD2-CG 4.22Å
102L92.2Very high80.8Confident0 Ų061 Ų610%037%0.367CS..EExtended strand (participates in β ladder)trans-98.4131-176.3-40.7-173.4000110.3L7 L73 L82 V83 L96 D100 F104 Y118 F119L7-L102 HydrophobicContact CD1-CD1 4.41Å; L7-L102 HydrophobicContact CD2-CD1 3.56Å; L7-L102 HydrophobicContact CD2-CG 4.42Å; L73-L102 HydrophobicContact CD2-CD1 4.16Å; L73-L102 HydrophobicContact CD2-CD2 4.11Å; L82-L102 WeakPolarHBondContact O-CA 3.41Å; V83-L102 HydrophobicContact CB-CD2 4.45Å; V83-L102 HydrophobicContact CG1-CD2 3.96Å; V83-L102 HydrophobicContact CG2-CD2 4Å; L96-L102 HydrophobicContact CD1-CD1 4.02Å; L96-L102 HydrophobicContact CD1-CD2 4.15Å; L96-L102 HydrophobicContact CD2-CD2 3.84Å; D100-L102 HydrophobicContact CB-CD2 4.47Å; L102-F104 HydrophobicContact CB-CE2 4.2Å; L102-F104 HydrophobicContact CB-CZ 4.16Å; L102-F104 HydrophobicContact CD1-CZ 4.18Å; L102-Y118 CarbonylContact O-C 3.59Å; L102-Y118 WeakPolarHBondContact O-CA 3.49Å; L102-F119 HydrophobicContact CB-CB 4.38Å; L102-F119 PolarHBondContact N-O 2.99Å; L102-F119 PolarHBondContact O-N 2.77Å
103T90Very high79.1Confident12 Ų1260.6 Ų60.67%0.07438%0.377CS..EExtended strand (participates in β ladder)trans-124121.7174.8-47.30000109.5L82 F117 Y118L82-T103 HydrophobicContact CD1-CG2 4.48Å; L82-T103 PolarHBondContact N-O 2.87Å; L82-T103 PolarHBondContact O-N 2.92Å; T103-F117 WeakPolarHBondContact CA-O 3.44Å; T103-Y118 WeakPolarHBondContact OG1-CD2 3.39Å
104F89.1Confident77.3Confident1 Ų159.2 Ų59.20%0.00439%0.385CS..EExtended strand (participates in β ladder)trans-103133.4175.9-54.4-74.7000110.7L33 L44 I53 H57 A58 L73 T81 L102 F117 F119L33-F104 HydrophobicContact CD2-CE2 4.18Å; L33-F104 HydrophobicContact CD2-CZ 4.02Å; L44-F104 HydrophobicContact CD1-CB 4.03Å; L44-F104 HydrophobicContact CD1-CD2 3.87Å; L44-F104 HydrophobicContact CD1-CE2 4.5Å; L44-F104 HydrophobicContact CD1-CG 3.89Å; I53-F104 HydrophobicContact CD1-CB 3.93Å; H57-F104 AromaticContact CD2-CD1 3.64Å; A58-F104 HydrophobicContact CB-CD1 4.21Å; A58-F104 HydrophobicContact CB-CE1 3.68Å; L73-F104 HydrophobicContact CD1-CE1 4.28Å; L73-F104 HydrophobicContact CD1-CZ 4.43Å; T81-F104 HydrophobicContact CG2-CD1 3.61Å; T81-F104 HydrophobicContact CG2-CE1 3.56Å; L102-F104 HydrophobicContact CB-CE2 4.2Å; L102-F104 HydrophobicContact CB-CZ 4.16Å; L102-F104 HydrophobicContact CD1-CZ 4.18Å; F104-F117 HydrophobicContact CB-CB 3.87Å; F104-F117 HydrophobicContact CD2-CB 4.17Å; F104-F117 PolarHBondContact N-O 2.85Å; F104-F119 AromaticContact CD2-CD2 3.78Å; F104-F119 HydrophobicContact CD2-CD2 3.78Å; F104-F119 AromaticContact CD2-CE2 3.81Å; F104-F119 HydrophobicContact CD2-CE2 3.81Å; F104-F119 AromaticContact CE2-CD2 3.66Å; F104-F119 HydrophobicContact CE2-CD2 3.66Å; F104-F119 AromaticContact CE2-CE2 3.93Å; F104-F119 HydrophobicContact CE2-CE2 3.93Å; F104-F119 HydrophobicContact CE2-CG 4.5Å
105G82.8Confident75.8Confident1 Ų157 Ų571%0.0138%0.376CS..SBendtrans109.7-175.1-17500000113.1H57 G80H57-G105 PolarHBondContact CE1-N 3.28Å; H57-G105 VanDerWaalsContact CE1-N 3.25Å; H57-G105 PolarHBondContact NE2-N 2.79Å; G80-G105 PolarHBondContact O-N 2.81Å
106P74.5Confident74.6Confident40 Ų4055.6 Ų55.626%0.2637%0.369SS..  trans-64.8153.5-172.530.3-38.2000112.4L52 Q79 G108 S115L52-P106 HydrophobicContact CD1-CG 4.13Å; L52-P106 HydrophobicContact CD2-CG 3.87Å; L52-P106 HydrophobicContact CG-CG 4.44Å; Q79-P106 HydrophobicContact CB-CB 4.38Å; P106-G108 PolarHBondContact O-N 2.95Å; P106-S115 PolarHBondContact O-OG 3.01Å
107E67.7Low74Confident127 Ų12755.9 Ų55.959%0.59337%0.37SS*.  trans-68.799167.1-172.4176.1170.200109.1L82L82-E107 HydrophobicContact CD2-CB 4.35Å; L82-E107 HydrophobicContact CD2-CG 4.19Å
108G61.8Low73.7Confident38 Ų3854.1 Ų54.139%0.39235%0.353SS..PPolyproline II helixtrans-66.5138.2176.200000111.2P106P106-G108 PolarHBondContact O-N 2.95Å
109P55.8Low73.6Confident85 Ų8549.3 Ų49.355%0.55233%0.327SS*.PPolyproline II helixtrans-61.4147.9178.425.5-32.9000111.2G111 T112P109-G111 PolarHBondContact O-N 2.91Å; P109-G111 VanDerWaalsContact O-N 3.08Å; P109-T112 WeakPolarHBondContact CD-OG1 3.33Å; P109-T112 HydrophobicContact CG-CG2 3.77Å; P109-T112 PolarHBondContact O-N 2.83Å; P109-T112 PolarHBondContact O-OG1 3.08Å
110P53Low73.8Confident141 Ų14149.8 Ų49.892%0.91632%0.32SS*.THydrogen-bonded Turntrans-57.5118.9-172.722.5-33.8000111.4
111G52.2Low73.8Confident85 Ų8548.7 Ų48.788%0.87631%0.314SS*.THydrogen-bonded Turntrans106.3-8.5-176.300000115.4P109P109-G111 PolarHBondContact O-N 2.91Å; P109-G111 VanDerWaalsContact O-N 3.08Å
112T53.7Low73.8Confident79 Ų7950.8 Ų50.849%0.48532%0.323SS..SBendtrans-75.3157.1164.951.10000111.8P109P109-T112 WeakPolarHBondContact CD-OG1 3.33Å; P109-T112 HydrophobicContact CG-CG2 3.77Å; P109-T112 PolarHBondContact O-N 2.83Å; P109-T112 PolarHBondContact O-OG1 3.08Å
113S52.2Low73.5Confident104 Ų10453 Ų5373%0.72733%0.333SS*.PPolyproline II helixtrans-49.8139.4172-54.80000111.4
114P56.7Low73.1Confident102 Ų10253.7 Ų53.766%0.66234%0.337SS*.PPolyproline II helixtrans-60.2141.8173.127.2-34.4000109.9
115S63.8Low72.3Confident28 Ų2860.5 Ų60.520%0.19636%0.363CS..PPolyproline II helixtrans-51.4141.4178.6-490000110.9P106 F117 Y118P106-S115 PolarHBondContact O-OG 3.01Å; S115-F117 PolarHBondContact O-N 2.98Å; S115-Y118 PolarHBondContact O-N 3.39Å
116E70.3Confident71.5Confident45 Ų4561.5 Ų61.521%0.2137%0.368CS..SBendtrans-57.9-8.9-174.6-57.9179135.900114.5R9 P46 Q47 Q48R9-E116 PolarHBondContact NE-O 3.38Å; R9-E116 PolarHBondContact NH2-O 3.45Å; P46-E116 WeakPolarHBondContact CA-OE2 3.44Å; P46-E116 WeakPolarHBondContact CB-OE2 3.5Å; Q47-E116 WeakPolarHBondContact CB-OE1 3.23Å; Q47-E116 PolarHBondContact N-OE1 3.1Å; Q47-E116 PolarHBondContact N-OE2 3.16Å; Q48-E116 WeakPolarHBondContact CG-OE1 3.42Å; Q48-E116 PolarHBondContact N-OE1 3.21Å
117F80.3Confident70.9Confident11 Ų1164.9 Ų64.95%0.04838%0.379CS..  trans-120.456.4-176.2-59.3-64.1000110.9L44 R45 P46 I53 T103 F104 S115 F119L44-F117 HydrophobicContact CB-CD1 3.9Å; L44-F117 HydrophobicContact CB-CE1 4.12Å; L44-F117 HydrophobicContact CB-CG 4.28Å; L44-F117 HydrophobicContact CD2-CD1 3.65Å; L44-F117 HydrophobicContact CD2-CE1 4.4Å; L44-F117 HydrophobicContact CD2-CG 4.28Å; L44-F117 HydrophobicContact CG-CD1 4.28Å; R45-F117 WeakPolarHBondContact O-CZ 3.39Å; P46-F117 HydrophobicContact CB-CE2 3.94Å; P46-F117 HydrophobicContact CB-CZ 4.36Å; P46-F117 VanDerWaalsContact N-CZ 3.34Å; I53-F117 HydrophobicContact CD1-CD2 3.65Å; I53-F117 HydrophobicContact CD1-CE2 4.39Å; I53-F117 HydrophobicContact CD1-CG 4.23Å; I53-F117 HydrophobicContact CG1-CD2 3.71Å; I53-F117 HydrophobicContact CG1-CE2 3.93Å; T103-F117 WeakPolarHBondContact CA-O 3.44Å; F104-F117 HydrophobicContact CB-CB 3.87Å; F104-F117 HydrophobicContact CD2-CB 4.17Å; F104-F117 PolarHBondContact N-O 2.85Å; S115-F117 PolarHBondContact O-N 2.98Å; F117-F119 HydrophobicContact CB-CE2 3.92Å; F117-F119 HydrophobicContact CD1-CE2 4.3Å; F117-F119 WeakPolarHBondContact O-CD2 3.49Å
118Y86.6Confident70.4Confident33 Ų3363 Ų6313%0.12938%0.378CS..EExtended strand (participates in β ladder)trans-97.2127.5172.4-174.2-123.6000110.3R9 I10 L101 L102 T103 S115 L153R9-Y118 CarbonylContact C-O 3.59Å; R9-Y118 WeakPolarHBondContact CA-O 3.44Å; R9-Y118 WeakPolarHBondContact CG-O 3.4Å; I10-Y118 HydrophobicContact CB-CD1 3.76Å; I10-Y118 HydrophobicContact CB-CE1 4.12Å; I10-Y118 HydrophobicContact CG2-CD1 4.03Å; I10-Y118 HydrophobicContact CG2-CE1 4.09Å; I10-Y118 PolarHBondContact N-O 3.01Å; L101-Y118 HydrophobicContact CB-CE2 4.04Å; L101-Y118 WeakPolarHBondContact CD1-OH 3.48Å; L102-Y118 CarbonylContact O-C 3.59Å; L102-Y118 WeakPolarHBondContact O-CA 3.49Å; T103-Y118 WeakPolarHBondContact OG1-CD2 3.39Å; S115-Y118 PolarHBondContact O-N 3.39Å; Y118-L153 HydrophobicContact CE1-CD2 4.11Å
119F90.9Very high70.2Confident1 Ų168.1 Ų68.10%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-137.3157-173.7-64.5-97.6000111.8L7 L8 R9 Y19 L44 L101 L102 F104 F117L7-F119 HydrophobicContact CB-CB 4.49Å; L7-F119 HydrophobicContact CB-CD1 3.89Å; L7-F119 HydrophobicContact CD1-CD1 4.46Å; L8-F119 CarbonylContact O-C 3.57Å; L8-F119 VanDerWaalsContact O-CA 3.23Å; L8-F119 WeakPolarHBondContact O-CA 3.47Å; R9-F119 HydrophobicContact CB-CD1 3.7Å; R9-F119 HydrophobicContact CB-CE1 3.54Å; R9-F119 HydrophobicContact CB-CG 4.5Å; R9-F119 HydrophobicContact CB-CZ 4.21Å; R9-F119 HydrophobicContact CG-CD1 4.18Å; R9-F119 HydrophobicContact CG-CE1 3.84Å; R9-F119 HydrophobicContact CG-CE2 4.47Å; R9-F119 HydrophobicContact CG-CZ 4Å; Y19-F119 AromaticContact CD2-CE1 3.91Å; Y19-F119 HydrophobicContact CD2-CE1 3.91Å; Y19-F119 AromaticContact CE2-CE1 3.72Å; Y19-F119 HydrophobicContact CE2-CE1 3.72Å; Y19-F119 HydrophobicContact CE2-CZ 4.43Å; L44-F119 HydrophobicContact CD2-CE2 3.71Å; L44-F119 HydrophobicContact CD2-CZ 3.57Å; L101-F119 CarbonylContact C-O 3.54Å; L101-F119 WeakPolarHBondContact CA-O 3.42Å; L102-F119 HydrophobicContact CB-CB 4.38Å; L102-F119 PolarHBondContact N-O 2.99Å; L102-F119 PolarHBondContact O-N 2.77Å; F104-F119 AromaticContact CD2-CD2 3.78Å; F104-F119 HydrophobicContact CD2-CD2 3.78Å; F104-F119 AromaticContact CD2-CE2 3.81Å; F104-F119 HydrophobicContact CD2-CE2 3.81Å; F104-F119 AromaticContact CE2-CD2 3.66Å; F104-F119 HydrophobicContact CE2-CD2 3.66Å; F104-F119 AromaticContact CE2-CE2 3.93Å; F104-F119 HydrophobicContact CE2-CE2 3.93Å; F104-F119 HydrophobicContact CE2-CG 4.5Å; F117-F119 HydrophobicContact CB-CE2 3.92Å; F117-F119 HydrophobicContact CD1-CE2 4.3Å; F117-F119 WeakPolarHBondContact O-CD2 3.49Å
120M91.9Very high70.5Confident48 Ų4867 Ų6724%0.23638%0.381CS..EExtended strand (participates in β ladder)trans-113.7133165.4-177.6-173.376.800109.6L7 L8 I10 D100 L101L7-M120 WeakPolarHBondContact CA-O 3.36Å; L8-M120 HydrophobicContact CD2-CE 4.23Å; L8-M120 PolarHBondContact N-O 3.33Å; L8-M120 PolarHBondContact O-N 2.94Å; I10-M120 HydrophobicContact CD1-CB 3.77Å; D100-M120 CarbonylContact O-C 3.58Å; D100-M120 WeakPolarHBondContact O-CA 3.32Å; L101-M120 HydrophobicContact CD2-CB 4.05Å; L101-M120 HydrophobicContact CD2-CG 4.22Å
121F93.2Very high70.6Confident0 Ų061.5 Ų61.50%034%0.343CS..EExtended strand (participates in β ladder)trans-89.4141.2174.6174-94.9000111.9F5 Q6 L7 V71 L96 S97 G99 D100 Q123F5-F121 HydrophobicContact CB-CE2 3.86Å; F5-F121 HydrophobicContact CB-CZ 4.1Å; F5-F121 HydrophobicContact CD2-CD2 4.37Å; F5-F121 AromaticContact CD2-CE2 3.63Å; F5-F121 HydrophobicContact CD2-CE2 3.63Å; F5-F121 HydrophobicContact CE2-CE2 4.42Å; F5-F121 AromaticContact CG-CE2 3.93Å; F5-F121 HydrophobicContact CG-CE2 3.93Å; F5-F121 HydrophobicContact CG-CZ 4.43Å; Q6-F121 WeakPolarHBondContact O-CA 3.49Å; L7-F121 HydrophobicContact CD2-CB 3.9Å; L7-F121 HydrophobicContact CD2-CD2 3.99Å; L7-F121 HydrophobicContact CD2-CG 4.46Å; V71-F121 HydrophobicContact CB-CE2 3.97Å; V71-F121 HydrophobicContact CB-CZ 3.68Å; V71-F121 HydrophobicContact CG1-CE2 3.78Å; V71-F121 HydrophobicContact CG1-CZ 4.04Å; V71-F121 HydrophobicContact CG2-CE2 4.19Å; V71-F121 HydrophobicContact CG2-CZ 3.88Å; L96-F121 HydrophobicContact CB-CD1 3.62Å; L96-F121 HydrophobicContact CB-CD2 4.37Å; L96-F121 HydrophobicContact CB-CE1 3.68Å; L96-F121 HydrophobicContact CB-CE2 4.42Å; L96-F121 HydrophobicContact CB-CG 3.98Å; L96-F121 HydrophobicContact CB-CZ 4.1Å; L96-F121 HydrophobicContact CD1-CB 4.22Å; L96-F121 HydrophobicContact CD1-CD1 4.34Å; L96-F121 HydrophobicContact CD1-CD2 3.72Å; L96-F121 HydrophobicContact CD1-CE2 4.15Å; L96-F121 HydrophobicContact CD1-CG 3.82Å; S97-F121 WeakPolarHBondContact O-CD1 3.31Å; G99-F121 PolarHBondContact N-O 3.09Å; D100-F121 PolarHBondContact O-N 2.95Å; F121-Q123 HydrophobicContact CE1-CG 3.74Å; F121-Q123 HydrophobicContact CZ-CG 3.68Å
122Q90.4Very high70.7Confident85 Ų8560.1 Ų60.140%0.39732%0.323SS..EExtended strand (participates in β ladder)trans-151.9130.5175.3-176.5171.113.800111.9F5 Q6 V124F5-Q122 CarbonylContact C-O 3.46Å; F5-Q122 WeakPolarHBondContact CA-O 3.31Å; Q6-Q122 PolarHBondContact N-O 3.33Å; Q6-Q122 PolarHBondContact O-N 2.75Å; Q122-V124 HydrophobicContact CG-CG2 4.15Å
123Q87.6Confident70.7Confident46 Ų4658.8 Ų58.822%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-80.4140.1166.1-56.6-164.2-52.500110.3F5 W69 D98 F121F5-Q123 HydrophobicContact CB-CG 4.46Å; W69-Q123 PolarHBondContact O-NE2 3.25Å; D98-Q123 WeakPolarHBondContact OD1-CB 3.41Å; D98-Q123 PolarHBondContact OD1-N 3.24Å; F121-Q123 HydrophobicContact CE1-CG 3.74Å; F121-Q123 HydrophobicContact CZ-CG 3.68Å
124V81.1Confident70.8Confident27 Ų2757.1 Ų57.116%0.16430%0.302CS..EExtended strand (participates in β ladder)trans-134.1115.3-176.7-171.90000109.7C4 Q6 Q122 V126C4-V124 PolarHBondContact N-O 3.32Å; C4-V124 PolarHBondContact O-N 3.38Å; C4-V124 VanDerWaalsContact O-O 3.05Å; C4-V124 PolarHBondContact SG-O 3.22Å; Q6-V124 HydrophobicContact CG-CG2 4.08Å; Q122-V124 HydrophobicContact CG-CG2 4.15Å; V124-V126 HydrophobicContact CG1-CG1 3.89Å; V124-V126 HydrophobicContact CG1-CG2 4.12Å
125R72Confident70.4Confident145 Ų14555.9 Ų55.955%0.54729%0.293SS..EExtended strand (participates in β ladder)trans-96.1108.7174.4-66.1-178.9177.5-157.64.2109.6M1 D68M1-R125 HydrophobicContact CE-CB 3.93Å; M1-R125 HydrophobicContact SD-CB 4.09Å; D68-R125 IonicContact OD2-CZ 3.71Å; D68-R125 IonicContact OD2-NE 2.69Å; D68-R125 PolarHBondContact OD2-NE 3.36Å; D68-R125 IonicContact OD2-NH2 3.22Å; D68-R125 PolarHBondContact OD2-NH2 3.29Å
126V66.1Low69.8Low21 Ų2159.6 Ų59.613%0.12731%0.31CS..EExtended strand (participates in β ladder)trans-128.9151.8-175.1-89.80000112.6M1 L2 V124 F131 I134M1-V126 CarbonylContact C-O 3.6Å; M1-V126 VanDerWaalsContact CA-O 3.27Å; M1-V126 WeakPolarHBondContact CA-O 3.46Å; M1-V126 WeakPolarHBondContact CB-O 3.21Å; M1-V126 WeakPolarHBondContact CG-O 3.37Å; L2-V126 PolarHBondContact N-O 2.69Å; L2-V126 PolarHBondContact O-N 3.07Å; V124-V126 HydrophobicContact CG1-CG1 3.89Å; V124-V126 HydrophobicContact CG1-CG2 4.12Å; V126-F131 HydrophobicContact CB-CD2 4.38Å; V126-F131 HydrophobicContact CB-CE2 3.99Å; V126-F131 HydrophobicContact CB-CZ 4.36Å; V126-F131 HydrophobicContact CG2-CD1 4.4Å; V126-F131 HydrophobicContact CG2-CD2 4.08Å; V126-F131 HydrophobicContact CG2-CE1 3.85Å; V126-F131 HydrophobicContact CG2-CE2 3.5Å; V126-F131 HydrophobicContact CG2-CZ 3.38Å; V126-I134 HydrophobicContact CB-CD1 4.33Å; V126-I134 HydrophobicContact CG1-CD1 3.68Å; V126-I134 HydrophobicContact CG2-CD1 4.35Å
127K60.9Low68.4Low111 Ų11162.1 Ų62.148%0.48333%0.33SS..  trans-79.7144.5176.8-56.4169.3-179.3172.20108.5M1 Q129 D130 F131M1-K127 HydrophobicContact CG-CG 4.02Å; M1-K127 HydrophobicContact SD-CG 4.45Å; K127-Q129 HydrophobicContact CB-CG 3.92Å; K127-Q129 PolarHBondContact O-N 2.99Å; K127-D130 WeakPolarHBondContact CB-OD2 3.32Å; K127-D130 PolarHBondContact O-N 3.22Å; K127-F131 VanDerWaalsContact O-CD2 3.32Å; K127-F131 WeakPolarHBondContact O-CD2 3.5Å
128P58.9Low66.7Low87 Ų8772.1 Ų72.157%0.56537%0.367SS*.THydrogen-bonded Turntrans-47.9-37.3-178.7-32.237.2000115L2 D130L2-P128 HydrophobicContact CG-CG 4.46Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 PolarHBondContact O-N 2.92Å
129Q56.6Low64.8Low147 Ų14775.7 Ų75.769%0.68740%0.397SS*.THydrogen-bonded Turntrans-62.7-27.3176.168.2-168.245.600115K127K127-Q129 HydrophobicContact CB-CG 3.92Å; K127-Q129 PolarHBondContact O-N 2.99Å
130D61.7Low62.6Low62 Ų6287.3 Ų87.333%0.33244%0.441SS..THydrogen-bonded Turntrans-90.9-19-173.3-55.7-42.6000112.1K127 P128 A132 A133K127-D130 WeakPolarHBondContact CB-OD2 3.32Å; K127-D130 PolarHBondContact O-N 3.22Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 PolarHBondContact O-N 2.92Å; D130-A132 VanDerWaalsContact C-N 3.35Å; D130-A132 PolarHBondContact O-N 2.86Å; D130-A133 WeakPolarHBondContact O-CB 3.29Å; D130-A133 PolarHBondContact O-N 2.91Å
131F56.4Low60.5Low25 Ų2588.3 Ų88.311%0.1146%0.463CS..Hα-helixtrans-55.6-44.6-178.1-84.8-96.8000113.3L2 C4 H22 V126 K127 A133 I134 T135L2-F131 HydrophobicContact CB-CE2 3.74Å; L2-F131 HydrophobicContact CB-CZ 3.54Å; L2-F131 HydrophobicContact CD1-CE2 4.46Å; L2-F131 WeakPolarHBondContact O-CZ 3.45Å; C4-F131 HydrophobicContact CB-CE1 4.17Å; H22-F131 AromaticContact CD2-CD1 3.98Å; H22-F131 AromaticContact CD2-CE1 3.65Å; H22-F131 AromaticContact NE2-CD1 3.68Å; H22-F131 AromaticContact NE2-CE1 3.73Å; V126-F131 HydrophobicContact CB-CD2 4.38Å; V126-F131 HydrophobicContact CB-CE2 3.99Å; V126-F131 HydrophobicContact CB-CZ 4.36Å; V126-F131 HydrophobicContact CG2-CD1 4.4Å; V126-F131 HydrophobicContact CG2-CD2 4.08Å; V126-F131 HydrophobicContact CG2-CE1 3.85Å; V126-F131 HydrophobicContact CG2-CE2 3.5Å; V126-F131 HydrophobicContact CG2-CZ 3.38Å; K127-F131 VanDerWaalsContact O-CD2 3.32Å; K127-F131 WeakPolarHBondContact O-CD2 3.5Å; F131-A133 PolarHBondContact O-N 2.76Å; F131-I134 PolarHBondContact O-N 3.16Å; F131-T135 PolarHBondContact O-N 2.85Å; F131-T135 PolarHBondContact O-OG1 2.84Å
132A52.4Low57.9Low56 Ų5697.1 Ų97.146%0.46350%0.504SS..Hα-helixtrans-63.8-22.5-179.500000112.8D130 I136D130-A132 VanDerWaalsContact C-N 3.35Å; D130-A132 PolarHBondContact O-N 2.86Å; A132-I136 HydrophobicContact CB-CD1 4.39Å; A132-I136 VanDerWaalsContact O-CB 3.29Å; A132-I136 WeakPolarHBondContact O-CB 3.47Å; A132-I136 WeakPolarHBondContact O-CG1 3.34Å; A132-I136 PolarHBondContact O-N 2.63Å
133A54.2Low55.7Low51 Ų51100.6 Ų100.642%0.42153%0.531SS..Hα-helixtrans-82.6-12.9174.800000113.5D130 F131D130-A133 WeakPolarHBondContact O-CB 3.29Å; D130-A133 PolarHBondContact O-N 2.91Å; F131-A133 PolarHBondContact O-N 2.76Å
134I55.2Low53.3Low69 Ų69109.9 Ų109.935%0.35457%0.565SS.*Hα-helixtrans-98.2-39.6-180-61.8163.9000110.4V126 F131V126-I134 HydrophobicContact CB-CD1 4.33Å; V126-I134 HydrophobicContact CG1-CD1 3.68Å; V126-I134 HydrophobicContact CG2-CD1 4.35Å; F131-I134 PolarHBondContact O-N 3.16Å
135T48.4Very low51.4Low76 Ų76113.2 Ų113.247%0.46660%0.595SS.*Hα-helixtrans-87.5-19.5-177.5560000114.2F131F131-T135 PolarHBondContact O-N 2.85Å; F131-T135 PolarHBondContact O-OG1 2.84Å
136I51.3Low50.2Low106 Ų106110.3 Ų110.354%0.54461%0.61SS.*SBendtrans-104.8110.7176.8-55.7171.9000109.3A132 R138A132-I136 HydrophobicContact CB-CD1 4.39Å; A132-I136 VanDerWaalsContact O-CB 3.29Å; A132-I136 WeakPolarHBondContact O-CB 3.47Å; A132-I136 WeakPolarHBondContact O-CG1 3.34Å; A132-I136 PolarHBondContact O-N 2.63Å; I136-R138 PolarHBondContact O-N 3.38Å; I136-R138 VanDerWaalsContact O-N 3.16Å
137P40.7Very low49Very low98 Ų98114.1 Ų114.164%0.63664%0.643SS**  trans-63.8119.2171.726.6-32.8000109.2S139P137-S139 PolarHBondContact O-N 3.5Å
138R44.9Very low47.6Very low220 Ų220112.2 Ų112.283%0.8366%0.656SS**SBendtrans-64.8-5.4-175.6-72.2-169.8172.9-156-1.8114.7I136 R140I136-R138 PolarHBondContact O-N 3.38Å; I136-R138 VanDerWaalsContact O-N 3.16Å; R138-R140 PolarHBondContact O-N 3.31Å
139S45.3Very low46.6Very low108 Ų108118.4 Ų118.476%0.75567%0.674SS**  trans-77.650.817861.70000113.7P137P137-S139 PolarHBondContact O-N 3.5Å
140R46.2Very low45.9Very low246 Ų246122.3 Ų122.393%0.92868%0.683SS**SBendtrans-104.972.8164.3-165.9-172.4177.8-160.3-2110.4R138R138-R140 PolarHBondContact O-N 3.31Å
141G46.6Very low44.5Very low68 Ų68123.3 Ų123.370%0.70169%0.692SS**SBendtrans125.475.1173.200000113.6
142E39.3Very low43.4Very low186 Ų186130.8 Ų130.887%0.86973%0.73SS**  -168.7132128.5-109.3173.6-15900110.8R144E142-R144 PolarHBondContact O-N 3.23Å; E142-R144 VanDerWaalsContact O-N 3.15Å
143T44.1Very low42.6Very low157 Ų157133.3 Ų133.396%0.96374%0.735SS**  trans-88.677.5-175.7-48.90000110.3
144R36.9Very low41.6Very low242 Ų242135.9 Ų135.991%0.91375%0.747SS**  trans-138.1152.5170.1-144.5168-173167.61.8112.3E142E142-R144 PolarHBondContact O-N 3.23Å; E142-R144 VanDerWaalsContact O-N 3.15Å
145A41.8Very low40.6Very low97 Ų97137.6 Ų137.680%0.80277%0.766SS**  trans-76.3148.9-159.400000115.2
146G45.6Very low40Very low83 Ų83143.7 Ų143.786%0.85679%0.789SS**  trans77.954.2135.500000118.9
147A40.7Very low39.9Very low101 Ų101142.1 Ų142.184%0.83580%0.799SS**  trans-141.26816900000113
148G33.1Very low39.9Very low72 Ų72141 Ų14174%0.74280%0.797SS**  trans-81.6128.6169.200000111.3R150G148-R150 PolarHBondContact O-N 3.41Å
149F36.3Very low39.7Very low217 Ų217136.6 Ų136.695%0.95280%0.797SS**  trans-61.9127.8171.1-101.9-100.1000110.1
150R42.7Very low39.6Very low229 Ų229140.2 Ų140.286%0.86480%0.802SS**  trans-123.898.5-179.5-164177.6-168.1-179.33.5108.8G148G148-R150 PolarHBondContact O-N 3.41Å
151P32.7Very low39.6Very low82 Ų82139.5 Ų139.553%0.53280%0.8SS.*PPolyproline II helixtrans-64.6137-179.926.4-33.1000110.2L153P151-L153 PolarHBondContact O-N 2.89Å
152M32.5Very low39.3Very low183 Ų183141.9 Ų141.990%0.90180%0.803SS**PPolyproline II helixtrans-82116.3174.6-68.5-162.772.600109.9
153L35.9Very low39.6Very low109 Ų109141.5 Ų141.557%0.57181%0.806SS**PPolyproline II helixtrans-61.7140.6164.3-83.9160.8000109.9I10 Y118 P151I10-L153 HydrophobicContact CG2-CD1 4.21Å; I10-L153 HydrophobicContact CG2-CD2 3.84Å; I10-L153 HydrophobicContact CG2-CG 4.01Å; Y118-L153 HydrophobicContact CE1-CD2 4.11Å; P151-L153 PolarHBondContact O-N 2.89Å
154P32.4Very low39.4Very low105 Ų105139 Ų13968%0.68280%0.795SS**PPolyproline II helixtrans-67.6141.5177.228.3-33.9000110.9Q156P154-Q156 PolarHBondContact O-N 3.17Å
155S35.3Very low39.5Very low105 Ų105134.4 Ų134.473%0.73479%0.794SS**PPolyproline II helixtrans-63.6134172.653.60000111.2G157S155-G157 PolarHBondContact O-N 3.09Å
156Q35.1Very low39.7Very low203 Ų203138.3 Ų138.395%0.94980%0.8SS**THydrogen-bonded Turntrans-51.8119.7176.4-168.6177.116.600111.1P154P154-Q156 PolarHBondContact O-N 3.17Å
157G50.2Low39.1Very low73 Ų73138.3 Ų138.375%0.75379%0.787SS**THydrogen-bonded Turntrans124.48.3176.400000117.6S155S155-G157 PolarHBondContact O-N 3.09Å
158A39.9Very low39.6Very low74 Ų74139.9 Ų139.961%0.61279%0.789SS**  trans-61.9132.8172.300000111.5Q160A158-Q160 PolarHBondContact O-N 3.25Å
159P40.1Very low39.8Very low128 Ų128139.4 Ų139.483%0.83178%0.778SS**  trans-71.9115.3-175.327.3-33.9000111.7R161P159-R161 PolarHBondContact O-N 3.44Å
160Q44.7Very low40.3Very low184 Ų184135.5 Ų135.586%0.8677%0.774SS**PPolyproline II helixtrans-61.7120.2171.1-73.5-66.1-14.400110.1A158A158-Q160 PolarHBondContact O-N 3.25Å
161R46.1Very low40.2Very low231 Ų231133 Ų13387%0.87277%0.77SS**PPolyproline II helixtrans-80.7128.5-179.4-150.8175.8-164.21584.7108.4P159 L163P159-R161 PolarHBondContact O-N 3.44Å; R161-L163 PolarHBondContact O-N 2.84Å
162P39.2Very low40.6Very low118 Ų118133.5 Ų133.577%0.76678%0.781SS**PPolyproline II helixtrans-63.2137.9-173.523.6-33.7000112.3S164P162-S164 VanDerWaalsContact C-N 3.33Å; P162-S164 PolarHBondContact O-N 2.84Å
163L46.6Very low41.1Very low178 Ų178131 Ų13193%0.93278%0.776SS**SBendtrans-69.281.6175.3-81.7166.7000111.4R161R161-L163 PolarHBondContact O-N 2.84Å
164S39.4Very low41.3Very low105 Ų105133 Ų13373%0.73479%0.786SS**  trans-176.4106153.5-870000112.6P162P162-S164 VanDerWaalsContact C-N 3.33Å; P162-S164 PolarHBondContact O-N 2.84Å
165T38.2Very low41.9Very low145 Ų145134.6 Ų134.689%0.8979%0.787SS**  176.9145.312425.90000110.9
166L46.2Very low42.1Very low180 Ų180136.7 Ų136.794%0.94279%0.79SS**  trans-69.5138.5178.9-68.8155.2000111
167S34.9Very low42.2Very low82 Ų82133.9 Ų133.957%0.57378%0.781SS**  trans-147.794.9174.8-175.80000110.7A169S167-A169 PolarHBondContact O-N 2.79Å
168P50.1Low41.5Very low135 Ų135135.3 Ų135.388%0.87778%0.78SS**  trans-86.585.3-176.633.7-33.4000111.5
169A37Very low41.6Very low61 Ų61140.3 Ų140.350%0.50479%0.794SS.*SBendtrans-150.8140.3169.300000111S167 K171S167-A169 PolarHBondContact O-N 2.79Å; A169-K171 PolarHBondContact O-N 2.87Å
170P47.8Very low41.6Very low136 Ų136137.2 Ų137.288%0.88379%0.786SS**PPolyproline II helixtrans-69125.9179.429-33.9000110.3
171K39.8Very low41.5Very low177 Ų177133.4 Ų133.477%0.7778%0.779SS**PPolyproline II helixtrans-98.3133.4179.6-75.4167.4-176.8158.60110.2A169A169-K171 PolarHBondContact O-N 2.87Å
172A41.2Very low41.1Very low92 Ų92131 Ų13176%0.7678%0.783SS**PPolyproline II helixtrans-83.4155.9-165.100000113.7L174A172-L174 PolarHBondContact O-N 2.84Å
173T42.8Very low41.1Very low130 Ų130130 Ų13080%0.79878%0.778SS**  trans-63116173.2-34.30000110.8I175T173-I175 PolarHBondContact O-N 2.8Å
174L40.1Very low41Very low152 Ų152130.9 Ų130.980%0.79678%0.775SS**  trans-86.4100.4174.3-74174.1000110.9A172A172-L174 PolarHBondContact O-N 2.84Å
175I44.8Very low40.7Very low137 Ų137134.4 Ų134.470%0.70379%0.785SS**  trans-94.1119.2163.8-58.3173.6000107.1T173T173-I175 PolarHBondContact O-N 2.8Å
176L40.4Very low41Very low150 Ų150139.2 Ų139.279%0.78579%0.786SS**  trans-112.992.9-179-68.4179.3000111.6S178L176-S178 PolarHBondContact O-N 3.22Å
177N36.1Very low40.3Very low144 Ų144136.6 Ų136.677%0.7778%0.78SS**  trans-81.499.7165.5-78.4-13.2000110.3
178S36.2Very low40.5Very low103 Ų103141.3 Ų141.372%0.7279%0.793SS**  trans60.2152145.3-51.70000121L176L176-S178 PolarHBondContact O-N 3.22Å
179I41.4Very low39.7Very low178 Ų178140.9 Ų140.991%0.91379%0.79SS**  trans67.4134.5167.4-34.1-179.3000114.3
180G39.8Very low39.4Very low63 Ų63145.1 Ų145.165%0.64980%0.804SS**  cis152151.5-5.900000111.1
181S42.7Very low38.6Very low104 Ų104145.1 Ų145.173%0.72780%0.802SS**  trans62.5101.4176.4-168.40000117.6
182L39.2Very low38.1Very low182 Ų182146.2 Ų146.295%0.95381%0.807SS**  trans-142.895.9132.5-86.8-167.1000109.6
183S38.8Very low37.8Very low95 Ų95147.1 Ų147.166%0.66481%0.807SS**  trans-85.8152.3-177.5-56.60000112.4
184K43.7Very low37.5Very low198 Ų198147.4 Ų147.486%0.86181%0.811SS**  trans66.889.2163-54.4174-178.6177.90117.7
185L34.5Very low37Very low179 Ų179146.3 Ų146.394%0.93782%0.817SS**  trans-139.1143.7132.6-78.8-175.4000109.7
186R44Very low36.5Very low245 Ų245151.4 Ų151.493%0.92583%0.827SS**  trans-109.6129.1175.1-72.9179172.3173.2-3.5109.3
187P31.9Very low36.1Very low126 Ų126147.7 Ų147.782%0.81883%0.825SS**PPolyproline II helixtrans-86134.3164.832.3-29.6000111
188Q38.7Very low35.9Very low181 Ų181144.6 Ų144.685%0.84683%0.827SS**PPolyproline II helixtrans-92.9152.9156-81.5-176.5-27.200109
189P32.6Very low36.2Very low125 Ų125145.7 Ų145.781%0.81283%0.832SS**PPolyproline II helixtrans-72.1132.2-178.829.5-34.5000111.5
190L30Very low35.7Very low150 Ų150148.5 Ų148.579%0.78583%0.831SS**  trans-112.2118.6169.9-68.8179.5000110
191T32.4Very low35.3Very low137 Ų137150.6 Ų150.684%0.8484%0.835SS**  trans-83.3127.717250.60000110.2
192F29Very low34.9Very low200 Ų200153.1 Ų153.188%0.87784%0.84SS**  trans-93.9126.6175.1-73.2-86.1000111.9
193S34.7Very low34.9Very low111 Ų111150.3 Ų150.378%0.77683%0.833SS**  trans-131130167.1-65.80000108.8
194P37.2Very low34.6Very low136 Ų136152 Ų15288%0.88384%0.838SS**  trans-88.2131.6-174.433-33.6000113
195S29.2Very low34.2Very low129 Ų129148.5 Ų148.590%0.90284%0.836SS**  trans-158.8160.4158-166.60000110.6
196W35Very low34Very low244 Ų244144.3 Ų144.392%0.92483%0.827SS**  trans-125.5121.3-165.2169.5-84.3000113.3
197G31.6Very low34.3Very low72 Ų72138.4 Ų138.474%0.74282%0.82SS**  trans88.2138.814900000119.5
198G31.6Very low34.9Very low79 Ų79138.8 Ų138.881%0.81482%0.823SS**  trans105.4106.7155.200000117.6
199P42.9Very low34.6Very low126 Ų126133.5 Ų133.582%0.81882%0.817SS**  trans-112.7142.5179.637.4-29.1000115.2
200R30.1Very low34.4Very low237 Ų237136.3 Ų136.389%0.89482%0.819SS**  trans-166.4127.7147.2-125.6177.4164.8-176.2-6.8115.8
201S32.1Very low34.5Very low106 Ų106135.6 Ų135.674%0.74182%0.821SS**  trans39.2127.3145.954.50000123.4
202L33.9Very low34.2Very low158 Ų158132 Ų13283%0.82781%0.812SS**  trans-60172.5159.8-71.4169.3000113.7
203P38.8Very low34.3Very low123 Ų123128.9 Ų128.980%0.79981%0.809SS**  cis-139.5-176.621.142.8-22.9000119.3
204V31.8Very low34.2Very low129 Ų129129.6 Ų129.678%0.78281%0.809SS**  trans-76.6141.2180163.70000112.3
205P36Very low34.6Very low126 Ų126128.7 Ų128.782%0.81880%0.803SS**  -140.8-1799231.7-10.7000115.7
206A31.3Very low34.6Very low90 Ų90128.3 Ų128.374%0.74480%0.8SS**  trans-118.4-146.8-168.700000114.3
207P49.1Very low34.5Very low121 Ų121120.6 Ų120.679%0.78679%0.788SS**  -89.6-163.6-118.744.6-32.4000113.3
208P44.7Very low35.4Very low134 Ų134122.6 Ų122.687%0.8779%0.788SS**  cis-140-159.87.645-23.9000116.1
209G31.7Very low36.5Very low70 Ų70124.2 Ų124.272%0.72279%0.785SS**  trans128.5101.4175.900000111
210E28.6Very low36.7Very low184 Ų184123.1 Ų123.186%0.8678%0.778SS**  cis90.1128.738.1-153.7-168.2-159.300113.8
211V31.9Very low36.9Very low135 Ų135123 Ų12382%0.81878%0.777SS**  trans63.9137.7-179.8-162.70000115.3
212G27.3Very low37Very low63 Ų63124 Ų12465%0.64978%0.775SS**  cis163.1-179.8-6.600000112.2
213T30.9Very low37Very low133 Ų133125.9 Ų125.982%0.81677%0.771SS**  trans68.996.5156.2-48.10000119.7
214T32.4Very low37.6Very low126 Ų126131.3 Ų131.377%0.77378%0.775SS**  trans-59.8156.314550.10000111
215P45.6Very low37.9Very low117 Ų117134.1 Ų134.176%0.7678%0.777SS**  cis-156.9-172.246.343.8-21.9000119.1
216S29.6Very low38.2Very low121 Ų121133 Ų13385%0.84677%0.772SS**  trans85.1148.1152.7-150.20000120.5
217A32.4Very low38.2Very low82 Ų82134.1 Ų134.168%0.67877%0.769SS**  trans-122.5-170.217100000108.2
218P50.4Low37.5Very low114 Ų114137.5 Ų137.574%0.7477%0.774SS**  cis-134-145.5-3.544.2-23.7000111.2
219P55.6Low37.1Very low113 Ų113141.5 Ų141.573%0.73477%0.772SS**  cis-129.7-16.7-24.927.4-8.7000123.2
220P46.5Very low37.2Very low104 Ų104143.7 Ų143.768%0.67577%0.771SS**  -117.4123.9-120.837.5-25.2000120.7
221R35Very low37.5Very low233 Ų233141.6 Ų141.688%0.87977%0.765SS**  trans57.5125139.9-52.2170.679.3175.86.4121.2
222N33.8Very low37.9Very low129 Ų129138.9 Ų138.969%0.6976%0.757SS**  140.9142.999.9-149.34.3000118.3
223R34.3Very low38.1Very low197 Ų197143.8 Ų143.874%0.74376%0.763SS**  trans48.5121.1147.4-94.7174.7176.9-170.50.1123.2
224R51.1Low38.4Very low236 Ų236144.7 Ų144.789%0.89176%0.762SS**  -174.1131.5101.8-87.6156-161.8-138.55.3106.6
225K38.2Very low38.5Very low189 Ų189145.4 Ų145.482%0.82276%0.761SS**  52.613467.9-76.1-163.2171.7-164.80112.7
226S42Very low38.2Very low102 Ų102147.3 Ų147.371%0.71377%0.765SS**  cis-118.3174.916.555.30000112.6
227V30.5Very low38.4Very low113 Ų113149.1 Ų149.169%0.68576%0.76SS**  cis81.195.615.3-171.30000117.1
228H36.2Very low38.4Very low193 Ų193151.1 Ų151.189%0.89477%0.769SS**  trans-132.9160.7143.4-96.9-92.8000109.1
229R36.3Very low37.5Very low217 Ų217154 Ų15482%0.81977%0.773SS**  trans-162.6140.5-156.7-169-157.7178.5-176.9-1.3110.5
230V32.5Very low37Very low117 Ų117153.7 Ų153.771%0.70977%0.771SS**  trans69139.6152.1140.70000115.5
231L35.2Very low36.2Very low139 Ų139152.7 Ų152.773%0.72877%0.766SS**  cis-118.2178.33.5-69.6169.1000110
232A39.3Very low36Very low78 Ų78149 Ų14965%0.64576%0.759SS**  cis67149.332.300000113.3
233E33.4Very low36Very low166 Ų166147.5 Ų147.578%0.77676%0.758SS**  cis-119.2-165.7-2.4-66.7151.3175.300107.4
234L35.5Very low36.4Very low152 Ų152143.4 Ų143.480%0.79676%0.757SS**  cis-134.1177.212.2-64159.2000108
235D36.2Very low36.3Very low142 Ų142137.5 Ų137.576%0.75975%0.749SS**  cis91108.920.3-113-43.6000118
236D37.6Very low36.9Very low157 Ų157133.7 Ų133.784%0.8474%0.744SS**  trans-164.8166.4133.5-158.9-100.6000109.5
237E35.1Very low36.3Very low158 Ų158134.4 Ų134.474%0.73874%0.743SS**  trans-106.1154.7-150.9-61.2-169.57700117.1
238S32.4Very low36.3Very low125 Ų125136.1 Ų136.187%0.87475%0.748SS**  trans-174.394.2142-840000112.4
239Q32Very low36Very low175 Ų175133.4 Ų133.482%0.81875%0.745SS**  trans-144.4174.8173.6-87.1-86.2-27.200108.3
240P43.6Very low35.7Very low106 Ų106131.7 Ų131.769%0.68875%0.746SS**  cis-105.2-122.9-12.424.3-1.3000108.4
241S30.8Very low36.5Very low82 Ų82130.6 Ų130.657%0.57374%0.742SS**  cis-162.5169-10.5-132.20000107.5
242E29.6Very low36.2Very low157 Ų157133.9 Ų133.973%0.73475%0.745SS**  cis-149.1135.6-4.3-142.5149.6107.900104.2
243S33.6Very low35.8Very low97 Ų97137.6 Ų137.668%0.67875%0.746SS**  63.4147.655128.60000114
244P43.4Very low35.6Very low110 Ų110138.6 Ų138.671%0.71475%0.748SS**  cis-130.5169.91.535.6-17.1000116.4
245P49.8Very low35.4Very low112 Ų112138.2 Ų138.273%0.72775%0.746SS**  trans-94-134.4162.441.9-34.9000108.5
246P50Low35Very low110 Ų110142 Ų14271%0.71475%0.75SS**  cis-112.3-149.6-34.431.4-12.7000112.3
247V29.8Very low34.5Very low116 Ų116140.3 Ų140.370%0.70375%0.745SS**  -172.5130.373166.90000112.1
248L29.5Very low34.3Very low150 Ų150138.4 Ų138.479%0.78574%0.74SS**  trans26.6158.7141.3-50.9174.6000126
249T30.5Very low34.1Very low135 Ų135140.6 Ų140.683%0.82873%0.733SS**  trans99.3137137.819.80000122.8
250E29.5Very low34Very low181 Ų181137 Ų13785%0.84673%0.728SS**  trans-99.8-150.6173.2-63.6-164.4131.800112.1
251P49Very low33.8Very low95 Ų95137.5 Ų137.562%0.61773%0.731SS**  -127.4168.2-87.836.5-19.4000115
252R29Very low33.8Very low208 Ų208140.6 Ų140.679%0.78574%0.74SS**  trans152130.8131.5-84.2160.4169.3-1710.5118.2
253K31.3Very low33.8Very low156 Ų156138.6 Ų138.668%0.67874%0.739SS**  trans71.1122130.3-68.7173.8177.9175.60123.9
254K30.2Very low34.2Very low187 Ų187139.4 Ų139.481%0.81374%0.742SS**  trans74.1161.5145.5-60.4175179-171.40116.1
255L31Very low33.5Very low143 Ų143140.6 Ų140.675%0.74975%0.747SS**  cis-153.3121.715.7-160.769.2000108.5
256R26.9Very low32.5Very low222 Ų222137.8 Ų137.884%0.83874%0.739SS**  71.9140.595.8-149.4-161.2-175.4-179.22117.4
257V27.7Very low31.5Very low121 Ų121140 Ų14073%0.73375%0.745SS**  trans76.4140.6171.9-175.20000112.5
258D29.9Very low31.8Very low119 Ų119144 Ų14464%0.63675%0.747SS**  cis-148.5-173.35.3-135.4-20.2000108.3
259K28.4Very low32Very low171 Ų171146.9 Ų146.974%0.74375%0.748SS**  cis-153.5-149.7-9.6-154.5155.8-149.170.90109.6
260S29.5Very low31.9Very low100 Ų100144.3 Ų144.370%0.69975%0.747SS**  trans-153.6171.8170.766.10000111.1
261P40.3Very low32.1Very low115 Ų115147.4 Ų147.475%0.74775%0.751SS**  -130.1-157.586.443.4-33.1000111.4
262L29.8Very low31.7Very low148 Ų148148.6 Ų148.678%0.77576%0.759SS**  cis-145.6-160.95.4-137.4-174.2000110.3
263T30.6Very low32Very low114 Ų114150.6 Ų150.670%0.69977%0.767SS**  trans-155-174.1-169.759.50000109.3
264P41.5Very low32Very low114 Ų114153 Ų15374%0.7478%0.777SS**  cis-124.8-165.33.535.9-12.1000112.8
265T28.8Very low32Very low135 Ų135154.9 Ų154.983%0.82878%0.781SS**  cis-143.5173.516.563.40000110.5
266G28.5Very low32.6Very low54 Ų54153.1 Ų153.156%0.55778%0.778SS**  cis151.8115.3-15.400000115.8
267N29.1Very low32.7Very low157 Ų157148.9 Ų148.984%0.8478%0.776SS**  trans79.7151.7167.9-38.1-71.6000116.8
268R36.7Very low32.9Very low198 Ų198148.3 Ų148.375%0.74778%0.778SS**  cis-147.4136.219.1-70.5177176.1-137.4-2.8114.5
269R33.7Very low33.1Very low212 Ų212146.5 Ų146.580%0.878%0.779SS**  trans62.1151.3137.4-56163.7-147.7-107.1-3.1118.7
270G29.1Very low33.5Very low80 Ų80144.7 Ų144.783%0.82579%0.785SS**  cis-150.8-159.11200000115.9
271R33.6Very low33.7Very low246 Ų246148.6 Ų148.693%0.92880%0.795SS**  trans-104.3159.6-158.1-118-163.3168.2-170.3-2.4115.1
272P40.4Very low33.3Very low121 Ų121147.4 Ų147.479%0.78680%0.795SS**  trans-93.4172.4173.738.2-33.6000113.9
273R34.9Very low33.9Very low249 Ų249144.9 Ų144.994%0.9479%0.787SS**  trans-133.1164.5173.6-131.8178.3-174.7-174.60.7111.3
274K30.9Very low34.2Very low207 Ų207144.7 Ų144.790%0.979%0.788SS**  trans-111.9153.1-174.2-66.4-176.9176.4-175.60112.9
275Y31Very low33.9Very low226 Ų226144.5 Ų144.589%0.88680%0.796SS**  trans-47.8165.8167-83.1-71.4000115.1
276P42.4Very low34.4Very low107 Ų107144.4 Ų144.470%0.69579%0.794SS**  cis-153.6176.447.344.9-23.8000121.3
277V30Very low34.7Very low132 Ų132144.9 Ų144.980%0.880%0.8SS**  trans57.1146.3166.1-95.90000119
278S32.5Very low35.1Very low109 Ų109141.8 Ų141.876%0.76281%0.805SS**  cis-138.3161.83.7-76.10000112
279A32.9Very low35.7Very low81 Ų81135.3 Ų135.367%0.66980%0.8SS**  trans-85167.7170.500000112
280P36.6Very low36.7Very low133 Ų133131.7 Ų131.786%0.86479%0.792SS**  -109.6164.488.1-13.230.9000114.8
281M33.9Very low38.8Very low183 Ų183133.6 Ų133.690%0.90179%0.79SS**PPolyproline II helixtrans-76.5131.6179.8-67175173.900112
282A33.2Very low41.1Very low90 Ų90122.5 Ų122.574%0.74475%0.75SS**PPolyproline II helixtrans-90.6136.7145.800000107.9
283P42.3Very low43Very low94 Ų94119.1 Ų119.161%0.6173%0.732SS**PPolyproline II helixtrans-67.1155.8175.629.2-34.6000111
284P36.3Very low45.1Very low111 Ų111107.7 Ų107.772%0.72169%0.691SS**PPolyproline II helixtrans-61.8146.9172.328.4-35000110.5V286P284-V286 VanDerWaalsContact C-N 3.35Å; P284-V286 PolarHBondContact O-N 2.83Å
285A35.8Very low46.9Very low110 Ų110104.2 Ų104.291%0.90969%0.69SS**  trans-69.490.4175.500000110.5
286V38.3Very low48.9Very low132 Ų13298.3 Ų98.380%0.868%0.68SS**  trans-64.7152.3168.3179.70000109.2P284P284-V286 VanDerWaalsContact C-N 3.35Å; P284-V286 PolarHBondContact O-N 2.83Å
287G35.5Very low50.7Low65 Ų6595.4 Ų95.467%0.6766%0.662SS**  trans-45.9149-164.500000117.1G289G287-G289 PolarHBondContact O-N 2.92Å
288G36.5Very low52.5Low91 Ų9193.6 Ų93.694%0.93865%0.654SS**  trans-70.266-17700000115.2
289G50.4Low54.1Low63 Ų6394.1 Ų94.165%0.64965%0.647SS**SBendtrans-76.3163.8144.600000110.1G287G287-G289 PolarHBondContact O-N 2.92Å
290E53.6Low55.6Low136 Ų13691.7 Ų91.764%0.63663%0.625SS**PPolyproline II helixtrans-64.1135.3-179.5-61-168.4123.800111.1C292 W307E290-C292 PolarHBondContact O-N 2.88Å; E290-W307 WeakPolarHBondContact O-CH2 3.32Å
291P74.2Confident56.4Low119 Ų11994.9 Ų94.977%0.77363%0.628SS**PPolyproline II helixtrans-68125.7178.328-33.5000109.9A293P291-A293 PolarHBondContact O-N 2.99Å; P291-A293 VanDerWaalsContact O-N 3.09Å
292C80.8Confident57.5Low14 Ų1492.8 Ų92.810%0.09562%0.616CS.*PPolyproline II helixtrans-50.9117.3171.51680000110.3E290 A294 W307 H318E290-C292 PolarHBondContact O-N 2.88Å; C292-A294 PolarHBondContact O-N 2.86Å; C292-W307 HydrophobicContact CB-CH2 4.13Å; C292-W307 HydrophobicContact CB-CZ3 4.01Å; C292-H318 VanDerWaalsContact CB-CE1 3.48Å; C292-H318 WeakPolarHBondContact CB-CE1 3.45Å; C292-H318 PolarHBondContact SG-N 2.89Å
293A81.9Confident58.2Low49 Ų4998.1 Ų98.141%0.40563%0.626SS.*  trans-77.214.9-170.600000114.5P291 V315 W316 F317P291-A293 PolarHBondContact O-N 2.99Å; P291-A293 VanDerWaalsContact O-N 3.09Å; A293-V315 HydrophobicContact CB-CG1 3.3Å; A293-W316 PolarHBondContact N-O 2.73Å; A293-F317 VanDerWaalsContact C-CE1 3.49Å; A293-F317 HydrophobicContact CB-CD1 4.35Å; A293-F317 HydrophobicContact CB-CE1 3.85Å; A293-F317 HydrophobicContact CB-CZ 4.05Å; A293-F317 WeakPolarHBondContact O-CE1 3.3Å
294A77.6Confident59.2Low10 Ų1099.3 Ų99.38%0.08363%0.632CS.*  trans-71131.2173.500000110.1C292 C296 C297 F317 C321C292-A294 PolarHBondContact O-N 2.86Å; A294-C296 PolarHBondContact O-N 3.36Å; A294-C296 VanDerWaalsContact O-N 3.07Å; A294-C297 PolarHBondContact O-N 3.24Å; A294-F317 HydrophobicContact CB-CD1 4.19Å; A294-C321 HydrophobicContact CB-CB 3.56Å
295P69.1Low61Low134 Ų13496.5 Ų96.587%0.8761%0.612SS**THydrogen-bonded Turntrans-64.3-16179.127.3-35.6000113.2
296C72.4Confident63.1Low101 Ų10192.9 Ų92.968%0.68258%0.582SS**THydrogen-bonded Turntrans-128.873.4171-57.30000109.2A294 C298A294-C296 PolarHBondContact O-N 3.36Å; A294-C296 VanDerWaalsContact O-N 3.07Å; C296-C298 PolarHBondContact O-N 2.84Å
297C80.4Confident65.3Low46 Ų4691.7 Ų91.731%0.31156%0.563SS.*  trans-70.5115.5175.8-1770000111A294 L299 H318A294-C297 PolarHBondContact O-N 3.24Å; C297-L299 PolarHBondContact O-N 3.1Å; C297-H318 PolarHBondContact SG-CE1 2.8Å; C297-H318 PolarHBondContact SG-ND1 3.29Å
298C67.6Low67.7Low94 Ų9489.1 Ų89.164%0.63554%0.535SS*.  trans-77-0.8-177.9-54.20000114.9C296 C321C296-C298 PolarHBondContact O-N 2.84Å; C298-C321 PolarHBondContact N-SG 3.25Å
299L66.4Low70.2Confident120 Ų12088.4 Ų88.463%0.62851%0.507SS*.  trans40.961.1-178.6-75.6162.9000113.5C297 Q301C297-L299 PolarHBondContact O-N 3.1Å; L299-Q301 PolarHBondContact O-N 3.35Å
300P64.5Low71.9Confident31 Ų3185.4 Ų85.420%0.20148%0.476CS..  trans-58123.7-175.324.2-34000111.3E302 V305P300-E302 PolarHBondContact O-N 3.02Å; P300-V305 HydrophobicContact CG-CG1 3.83Å; P300-V305 HydrophobicContact CG-CG2 4.07Å
301Q53.4Low73.3Confident200 Ų20083.4 Ų83.494%0.93547%0.47SS*.  trans-81.211.3178.8-69.1-174.9-19.900113.4L299L299-Q301 PolarHBondContact O-N 3.35Å
302E56.3Low73.7Confident139 Ų13979.7 Ų79.765%0.6545%0.453SS*.  trans-73136.3178.4-68.1172.7-13200110.8P300 T304P300-E302 PolarHBondContact O-N 3.02Å; E302-T304 PolarHBondContact O-N 3.07Å
303E49.1Very low73.9Confident202 Ų20281.5 Ų81.594%0.94447%0.465SS*.SBendtrans-62.7-14.5-173.6-162.4169.9172.100113.6
304T62.6Low73.9Confident119 Ų11984.7 Ų84.773%0.7348%0.476SS*.SBendtrans-128.982.7171.259.90000111.6E302 A306E302-T304 PolarHBondContact O-N 3.07Å; T304-A306 PolarHBondContact O-N 3.5Å
305V74.5Confident74.2Confident51 Ų5187.2 Ų87.231%0.30949%0.49SS..  trans-64120.2174.9-178.90000110.9P300 W307 H318P300-V305 HydrophobicContact CG-CG1 3.83Å; P300-V305 HydrophobicContact CG-CG2 4.07Å; V305-W307 VanDerWaalsContact O-CD1 3.24Å; V305-H318 HydrophobicContact CG1-CB 4.46Å; V305-H318 VanDerWaalsContact CG1-CD2 3.41Å; V305-H318 WeakPolarHBondContact CG1-CD2 3.13Å
306A80.2Confident75Confident34 Ų3485.7 Ų85.728%0.28147%0.467SS..  trans-83.7129177.300000111.9T304 H318 V319 I326T304-A306 PolarHBondContact O-N 3.5Å; A306-H318 CarbonylContact O-C 3.58Å; A306-H318 WeakPolarHBondContact O-CA 3.44Å; A306-V319 HydrophobicContact CB-CB 4.12Å; A306-V319 HydrophobicContact CB-CG2 3.97Å; A306-V319 PolarHBondContact O-N 3.18Å; A306-I326 HydrophobicContact CB-CD1 3.73Å; A306-I326 HydrophobicContact CB-CG1 3.97Å
307W84.8Confident75.6Confident107 Ų10781.5 Ų81.541%0.40544%0.437SS..EExtended strand (participates in β ladder)trans-113.1153.7-179.2-68.285.1000112.3E290 C292 V305 W316 F317 H318E290-W307 WeakPolarHBondContact O-CH2 3.32Å; C292-W307 HydrophobicContact CB-CH2 4.13Å; C292-W307 HydrophobicContact CB-CZ3 4.01Å; V305-W307 VanDerWaalsContact O-CD1 3.24Å; W307-W316 HydrophobicContact CB-CE3 4.15Å; W307-W316 HydrophobicContact CB-CZ3 4.37Å; W307-W316 HydrophobicContact CE3-CB 3.94Å; W307-W316 HydrophobicContact CZ3-CB 4Å; W307-F317 CarbonylContact C-O 3.47Å; W307-F317 WeakPolarHBondContact CA-O 3.46Å; W307-H318 AromaticContact CD2-CD2 3.75Å; W307-H318 AromaticContact CE2-CD2 3.54Å; W307-H318 AromaticContact CE2-NE2 3.82Å; W307-H318 AromaticContact CE3-CD2 3.82Å; W307-H318 AromaticContact CH2-CD2 3.61Å; W307-H318 AromaticContact CH2-NE2 3.4Å; W307-H318 WeakPolarHBondContact CH2-NE2 3.14Å; W307-H318 AromaticContact CZ2-CD2 3.48Å; W307-H318 VanDerWaalsContact CZ2-CD2 3.48Å; W307-H318 WeakPolarHBondContact CZ2-CD2 3.36Å; W307-H318 AromaticContact CZ2-NE2 3.28Å; W307-H318 VanDerWaalsContact CZ2-NE2 3.28Å; W307-H318 WeakPolarHBondContact CZ2-NE2 3.48Å; W307-H318 AromaticContact CZ3-CD2 3.77Å
308V86.2Confident75.8Confident11 Ų1180 Ų807%0.06743%0.426CS..EExtended strand (participates in β ladder)trans-140.6139171.563.10000109.7F317 V319 V322 A329 F334V308-F317 HydrophobicContact CG1-CB 4.32Å; V308-F317 PolarHBondContact N-O 3.3Å; V308-F317 PolarHBondContact O-N 3Å; V308-V319 HydrophobicContact CB-CG2 3.98Å; V308-V319 HydrophobicContact CG1-CG2 4.06Å; V308-V322 HydrophobicContact CG1-CG2 4.05Å; V308-A329 HydrophobicContact CB-CB 4.26Å; V308-A329 HydrophobicContact CG2-CB 3.79Å; V308-F334 HydrophobicContact CB-CD1 4.32Å; V308-F334 HydrophobicContact CB-CG 4.5Å; V308-F334 HydrophobicContact CG1-CD1 3.8Å; V308-F334 HydrophobicContact CG1-CE1 3.85Å; V308-F334 HydrophobicContact CG1-CG 4.16Å; V308-F334 HydrophobicContact CG1-CZ 4.25Å; V308-F334 HydrophobicContact CG2-CB 3.5Å; V308-F334 HydrophobicContact CG2-CD1 3.6Å; V308-F334 HydrophobicContact CG2-CD2 4.32Å; V308-F334 HydrophobicContact CG2-CE1 4.48Å; V308-F334 HydrophobicContact CG2-CG 3.51Å
309Q87.8Confident76.6Confident76 Ų7676 Ų7636%0.35540%0.398SS..EExtended strand (participates in β ladder)trans-95147.4174.9-163.1177.17.200109.5D314 W316 F334Q309-D314 VanDerWaalsContact CG-O 3.28Å; Q309-D314 WeakPolarHBondContact CG-O 3.34Å; Q309-D314 PolarHBondContact NE2-O 3.48Å; Q309-W316 HydrophobicContact CB-CD2 4.05Å; Q309-W316 HydrophobicContact CB-CE3 3.9Å; Q309-W316 HydrophobicContact CB-CH2 3.93Å; Q309-W316 HydrophobicContact CB-CZ2 4.05Å; Q309-W316 HydrophobicContact CB-CZ3 3.86Å; Q309-W316 HydrophobicContact CG-CD2 4.11Å; Q309-W316 HydrophobicContact CG-CE3 4.47Å; Q309-W316 HydrophobicContact CG-CH2 4.45Å; Q309-W316 HydrophobicContact CG-CZ2 4.07Å; Q309-F334 WeakPolarHBondContact O-CD1 3.27Å
310C85.6Confident77.2Confident0 Ų073.6 Ų73.60%040%0.395CS..  trans-94.8112.9-179175.90000113.2G312 C313 D314 V315 F317 F334 C336 C339C310-G312 PolarHBondContact O-N 3.02Å; C310-C313 PolarHBondContact O-N 2.89Å; C310-C313 PolarHBondContact SG-SG 2.73Å; C310-D314 WeakPolarHBondContact O-CA 3.42Å; C310-D314 PolarHBondContact O-N 2.82Å; C310-V315 PolarHBondContact N-O 2.98Å; C310-F317 HydrophobicContact CB-CD2 4.27Å; C310-F317 HydrophobicContact CB-CE2 3.82Å; C310-F334 CarbonylContact C-O 3.5Å; C310-F334 VanDerWaalsContact CA-O 3.25Å; C310-F334 WeakPolarHBondContact CA-O 3.29Å; C310-F334 HydrophobicContact CB-CD1 4.26Å; C310-F334 HydrophobicContact CB-CE1 4.31Å; C310-C336 HydrophobicContact CB-CB 3.98Å; C310-C336 PolarHBondContact SG-N 2.76Å; C310-C339 VanDerWaalsContact SG-SG 3.67Å
311D83.9Confident77.9Confident95 Ų9573.1 Ų73.151%0.50839%0.392SS..THydrogen-bonded Turntrans-64.4-3.2-178-51.7-73.9000115D333 F334D311-D333 WeakPolarHBondContact OD2-CA 3.39Å; D311-F334 PolarHBondContact N-O 2.77Å; D311-F334 PolarHBondContact OD2-N 3.26Å
312G81.7Confident79.1Confident41 Ų4165 Ų6542%0.42336%0.356SS..THydrogen-bonded Turntrans-105.5-9.8174.800000115.5C310 C339C310-G312 PolarHBondContact O-N 3.02Å; G312-C339 VanDerWaalsContact C-SG 3.59Å
313C85.1Confident79.9Confident52 Ų5261.9 Ų61.935%0.35136%0.362SS..THydrogen-bonded Turntrans-153.76-179.665.30000115.4C310 V315 C339C310-C313 PolarHBondContact O-N 2.89Å; C310-C313 PolarHBondContact SG-SG 2.73Å; C313-V315 HydrophobicContact CB-CG2 4.32Å; C313-V315 WeakPolarHBondContact O-CG2 3.12Å; C313-V315 PolarHBondContact O-N 3.2Å; C313-C339 VanDerWaalsContact SG-SG 3.65Å
314D82.4Confident81.1Confident116 Ų11653.7 Ų53.762%0.6233%0.327SS*.  trans59.31.5-178.6-56.2-44000116.5Q309 C310Q309-D314 VanDerWaalsContact CG-O 3.28Å; Q309-D314 WeakPolarHBondContact CG-O 3.34Å; Q309-D314 PolarHBondContact NE2-O 3.48Å; C310-D314 WeakPolarHBondContact O-CA 3.42Å; C310-D314 PolarHBondContact O-N 2.82Å
315V83.9Confident81.7Confident62 Ų6251 Ų5138%0.37631%0.313SS..  trans-77.7144-177.6-169.80000112.3A293 C310 C313 F317A293-V315 HydrophobicContact CB-CG1 3.3Å; C310-V315 PolarHBondContact N-O 2.98Å; C313-V315 HydrophobicContact CB-CG2 4.32Å; C313-V315 WeakPolarHBondContact O-CG2 3.12Å; C313-V315 PolarHBondContact O-N 3.2Å; V315-F317 HydrophobicContact CB-CE2 3.99Å; V315-F317 HydrophobicContact CB-CZ 4.39Å; V315-F317 HydrophobicContact CG1-CE2 4.24Å; V315-F317 HydrophobicContact CG1-CZ 4.37Å; V315-F317 VanDerWaalsContact O-CD2 3.31Å; V315-F317 WeakPolarHBondContact O-CD2 3.29Å; V315-F317 WeakPolarHBondContact O-CE2 3.4Å
316W87Confident81.6Confident102 Ų10252.6 Ų52.639%0.38632%0.319SS..EExtended strand (participates in β ladder)trans-88.5139.1179.8-67.195.4000114.1A293 W307 Q309A293-W316 PolarHBondContact N-O 2.73Å; W307-W316 HydrophobicContact CB-CE3 4.15Å; W307-W316 HydrophobicContact CB-CZ3 4.37Å; W307-W316 HydrophobicContact CE3-CB 3.94Å; W307-W316 HydrophobicContact CZ3-CB 4Å; Q309-W316 HydrophobicContact CB-CD2 4.05Å; Q309-W316 HydrophobicContact CB-CE3 3.9Å; Q309-W316 HydrophobicContact CB-CH2 3.93Å; Q309-W316 HydrophobicContact CB-CZ2 4.05Å; Q309-W316 HydrophobicContact CB-CZ3 3.86Å; Q309-W316 HydrophobicContact CG-CD2 4.11Å; Q309-W316 HydrophobicContact CG-CE3 4.47Å; Q309-W316 HydrophobicContact CG-CH2 4.45Å; Q309-W316 HydrophobicContact CG-CZ2 4.07Å
317F83.6Confident81.2Confident13 Ų1355.8 Ų55.86%0.05733%0.328CS..EExtended strand (participates in β ladder)trans-134.8147177.1-59.3-96.8000110.4A293 A294 W307 V308 C310 V315 V322 F334 C336A293-F317 VanDerWaalsContact C-CE1 3.49Å; A293-F317 HydrophobicContact CB-CD1 4.35Å; A293-F317 HydrophobicContact CB-CE1 3.85Å; A293-F317 HydrophobicContact CB-CZ 4.05Å; A293-F317 WeakPolarHBondContact O-CE1 3.3Å; A294-F317 HydrophobicContact CB-CD1 4.19Å; W307-F317 CarbonylContact C-O 3.47Å; W307-F317 WeakPolarHBondContact CA-O 3.46Å; V308-F317 HydrophobicContact CG1-CB 4.32Å; V308-F317 PolarHBondContact N-O 3.3Å; V308-F317 PolarHBondContact O-N 3Å; C310-F317 HydrophobicContact CB-CD2 4.27Å; C310-F317 HydrophobicContact CB-CE2 3.82Å; V315-F317 HydrophobicContact CB-CE2 3.99Å; V315-F317 HydrophobicContact CB-CZ 4.39Å; V315-F317 HydrophobicContact CG1-CE2 4.24Å; V315-F317 HydrophobicContact CG1-CZ 4.37Å; V315-F317 VanDerWaalsContact O-CD2 3.31Å; V315-F317 WeakPolarHBondContact O-CD2 3.29Å; V315-F317 WeakPolarHBondContact O-CE2 3.4Å; F317-V322 HydrophobicContact CB-CG1 3.62Å; F317-V322 HydrophobicContact CB-CG2 4.42Å; F317-V322 HydrophobicContact CD1-CG1 3.56Å; F317-V322 HydrophobicContact CE1-CG1 4.42Å; F317-V322 HydrophobicContact CG-CG1 3.72Å; F317-F334 HydrophobicContact CD2-CE1 4.1Å; F317-C336 HydrophobicContact CD2-CB 4.18Å; F317-C336 HydrophobicContact CE1-CB 4.22Å; F317-C336 HydrophobicContact CE2-CB 3.52Å; F317-C336 HydrophobicContact CZ-CB 3.54Å
318H85.6Confident80.5Confident16 Ų1652.6 Ų52.67%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-68.3134.5162.7-52.5145.6000109C292 C297 V305 A306 W307 A320 C321 V322C292-H318 VanDerWaalsContact CB-CE1 3.48Å; C292-H318 WeakPolarHBondContact CB-CE1 3.45Å; C292-H318 PolarHBondContact SG-N 2.89Å; C297-H318 PolarHBondContact SG-CE1 2.8Å; C297-H318 PolarHBondContact SG-ND1 3.29Å; V305-H318 HydrophobicContact CG1-CB 4.46Å; V305-H318 VanDerWaalsContact CG1-CD2 3.41Å; V305-H318 WeakPolarHBondContact CG1-CD2 3.13Å; A306-H318 CarbonylContact O-C 3.58Å; A306-H318 WeakPolarHBondContact O-CA 3.44Å; W307-H318 AromaticContact CD2-CD2 3.75Å; W307-H318 AromaticContact CE2-CD2 3.54Å; W307-H318 AromaticContact CE2-NE2 3.82Å; W307-H318 AromaticContact CE3-CD2 3.82Å; W307-H318 AromaticContact CH2-CD2 3.61Å; W307-H318 AromaticContact CH2-NE2 3.4Å; W307-H318 WeakPolarHBondContact CH2-NE2 3.14Å; W307-H318 AromaticContact CZ2-CD2 3.48Å; W307-H318 VanDerWaalsContact CZ2-CD2 3.48Å; W307-H318 WeakPolarHBondContact CZ2-CD2 3.36Å; W307-H318 AromaticContact CZ2-NE2 3.28Å; W307-H318 VanDerWaalsContact CZ2-NE2 3.28Å; W307-H318 WeakPolarHBondContact CZ2-NE2 3.48Å; W307-H318 AromaticContact CZ3-CD2 3.77Å; H318-A320 PolarHBondContact O-N 2.88Å; H318-C321 HydrophobicContact CB-CB 4.06Å; H318-C321 PolarHBondContact ND1-SG 2.9Å; H318-C321 VanDerWaalsContact ND1-SG 3.45Å; H318-C321 PolarHBondContact O-N 2.73Å; H318-V322 PolarHBondContact O-N 2.95Å
319V83.1Confident79.6Confident8 Ų853.6 Ų53.65%0.04833%0.334CS..G310 helixtrans-52.2-43.1178.9172.30000111.6A306 V308 C321 V322 G323 C324 I326A306-V319 HydrophobicContact CB-CB 4.12Å; A306-V319 HydrophobicContact CB-CG2 3.97Å; A306-V319 PolarHBondContact O-N 3.18Å; V308-V319 HydrophobicContact CB-CG2 3.98Å; V308-V319 HydrophobicContact CG1-CG2 4.06Å; V319-C321 PolarHBondContact O-N 2.85Å; V319-V322 WeakPolarHBondContact O-CG2 3.33Å; V319-V322 PolarHBondContact O-N 2.84Å; V319-G323 PolarHBondContact O-N 3.01Å; V319-C324 HydrophobicContact CG1-CB 4.35Å; V319-C324 WeakPolarHBondContact CG1-O 3.45Å; V319-C324 PolarHBondContact O-N 3.35Å; V319-I326 HydrophobicContact CG1-CG1 3.92Å
320A79.1Confident78.7Confident70 Ų7059 Ų5958%0.57935%0.351SS*.G310 helixtrans-65.3-31.9176.900000114.1H318 V322H318-A320 PolarHBondContact O-N 2.88Å; A320-V322 VanDerWaalsContact C-N 3.28Å; A320-V322 PolarHBondContact O-N 2.89Å
321C80.9Confident78.1Confident21 Ų2165.7 Ų65.714%0.14238%0.382CS..G310 helixtrans-81.8-5-177.8-58.90000113.7A294 C298 H318 V319A294-C321 HydrophobicContact CB-CB 3.56Å; C298-C321 PolarHBondContact N-SG 3.25Å; H318-C321 HydrophobicContact CB-CB 4.06Å; H318-C321 PolarHBondContact ND1-SG 2.9Å; H318-C321 VanDerWaalsContact ND1-SG 3.45Å; H318-C321 PolarHBondContact O-N 2.73Å; V319-C321 PolarHBondContact O-N 2.85Å
322V78.4Confident77.6Confident29 Ų2964.3 Ų64.318%0.17638%0.384CS..G310 helixtrans-119.37.9175.7-66.60000113.1V308 F317 H318 V319 A320 C324 F334V308-V322 HydrophobicContact CG1-CG2 4.05Å; F317-V322 HydrophobicContact CB-CG1 3.62Å; F317-V322 HydrophobicContact CB-CG2 4.42Å; F317-V322 HydrophobicContact CD1-CG1 3.56Å; F317-V322 HydrophobicContact CE1-CG1 4.42Å; F317-V322 HydrophobicContact CG-CG1 3.72Å; H318-V322 PolarHBondContact O-N 2.95Å; V319-V322 WeakPolarHBondContact O-CG2 3.33Å; V319-V322 PolarHBondContact O-N 2.84Å; A320-V322 VanDerWaalsContact C-N 3.28Å; A320-V322 PolarHBondContact O-N 2.89Å; V322-C324 HydrophobicContact CG2-CB 3.97Å; V322-C324 PolarHBondContact O-N 2.89Å; V322-F334 HydrophobicContact CB-CE2 4.16Å; V322-F334 HydrophobicContact CB-CZ 3.67Å; V322-F334 HydrophobicContact CG1-CZ 3.93Å; V322-F334 HydrophobicContact CG2-CE1 4.32Å; V322-F334 HydrophobicContact CG2-CE2 3.77Å; V322-F334 HydrophobicContact CG2-CZ 3.47Å; V322-F334 VanDerWaalsContact CG2-CZ 3.47Å
323G73.2Confident77.5Confident75 Ų7568.3 Ų68.377%0.77340%0.396SS*.THydrogen-bonded Turntrans63.519.3179.100000114.5V319V319-G323 PolarHBondContact O-N 3.01Å
324C73.8Confident77.4Confident29 Ų2966.2 Ų66.220%0.19638%0.381CS..  trans-87.8157.9178.1-160.40000109.9V319 V322 F334V319-C324 HydrophobicContact CG1-CB 4.35Å; V319-C324 WeakPolarHBondContact CG1-O 3.45Å; V319-C324 PolarHBondContact O-N 3.35Å; V322-C324 HydrophobicContact CG2-CB 3.97Å; V322-C324 PolarHBondContact O-N 2.89Å; C324-F334 HydrophobicContact CB-CD2 4.28Å; C324-F334 HydrophobicContact CB-CE2 4.07Å
325S75.1Confident77.4Confident64 Ų6465.9 Ų65.945%0.44837%0.371SS..  trans-96.2149.1168.776.30000109.9Q327 A328 A329S325-Q327 PolarHBondContact O-N 3.24Å; S325-Q327 VanDerWaalsContact O-N 3.13Å; S325-A328 PolarHBondContact O-N 3.4Å; S325-A328 WeakPolarHBondContact OG-CB 3.32Å; S325-A328 PolarHBondContact OG-N 2.72Å; S325-A328 VanDerWaalsContact OG-N 3.07Å; S325-A329 PolarHBondContact O-N 3.09Å
326I72.8Confident77.4Confident84 Ų8463.3 Ų63.343%0.43136%0.355SS..THydrogen-bonded Turntrans-59.3-27177.8-60.1174000111.1A306 V319 R330A306-I326 HydrophobicContact CB-CD1 3.73Å; A306-I326 HydrophobicContact CB-CG1 3.97Å; V319-I326 HydrophobicContact CG1-CG1 3.92Å; I326-R330 VanDerWaalsContact O-CD 3.31Å; I326-R330 WeakPolarHBondContact O-CD 3.41Å; I326-R330 VanDerWaalsContact O-CG 3.27Å; I326-R330 WeakPolarHBondContact O-CG 3.23Å
327Q70.9Confident77Confident100 Ų10062.3 Ų62.347%0.46736%0.362SS..THydrogen-bonded Turntrans-75.8-47.1176.5-16265.716.800111.9S325 A329 R330 E331S325-Q327 PolarHBondContact O-N 3.24Å; S325-Q327 VanDerWaalsContact O-N 3.13Å; Q327-A329 VanDerWaalsContact C-N 3.3Å; Q327-A329 PolarHBondContact O-N 2.93Å; Q327-R330 WeakPolarHBondContact O-CB 3.39Å; Q327-R330 PolarHBondContact O-N 3.16Å; Q327-E331 PolarHBondContact NE2-OE1 3.36Å; Q327-E331 WeakPolarHBondContact O-CG 3.45Å; Q327-E331 PolarHBondContact O-N 3.45Å
328A70.4Confident76.8Confident41 Ų4164.1 Ų64.134%0.33939%0.385SS..Hα-helixtrans-60.3-41.1177.300000111.8S325 R330 E331 A332S325-A328 PolarHBondContact O-N 3.4Å; S325-A328 WeakPolarHBondContact OG-CB 3.32Å; S325-A328 PolarHBondContact OG-N 2.72Å; S325-A328 VanDerWaalsContact OG-N 3.07Å; A328-R330 PolarHBondContact O-N 3.34Å; A328-R330 VanDerWaalsContact O-N 3.08Å; A328-E331 PolarHBondContact O-N 3.02Å; A328-E331 VanDerWaalsContact O-N 3.16Å; A328-A332 PolarHBondContact O-N 3.3Å; A328-A332 VanDerWaalsContact O-N 3.1Å
329A68.4Low76.6Confident31 Ų3164.7 Ų64.726%0.25639%0.39SS..Hα-helixtrans-67.60.3174.600000115.1V308 S325 Q327V308-A329 HydrophobicContact CB-CB 4.26Å; V308-A329 HydrophobicContact CG2-CB 3.79Å; S325-A329 PolarHBondContact O-N 3.09Å; Q327-A329 VanDerWaalsContact C-N 3.3Å; Q327-A329 PolarHBondContact O-N 2.93Å
330R68.8Low76.3Confident190 Ų19071.4 Ų71.472%0.71741%0.414SS*.Hα-helixtrans-114.4-15.1173.3-71.9170.7174.3-179.7-2.3113.4I326 Q327 A328I326-R330 VanDerWaalsContact O-CD 3.31Å; I326-R330 WeakPolarHBondContact O-CD 3.41Å; I326-R330 VanDerWaalsContact O-CG 3.27Å; I326-R330 WeakPolarHBondContact O-CG 3.23Å; Q327-R330 WeakPolarHBondContact O-CB 3.39Å; Q327-R330 PolarHBondContact O-N 3.16Å; A328-R330 PolarHBondContact O-N 3.34Å; A328-R330 VanDerWaalsContact O-N 3.08Å
331E71.1Confident76.1Confident140 Ų14071.4 Ų71.465%0.65442%0.415SS*.Hα-helixtrans-112.2-17.1-171.6-69.5176164.700112.9Q327 A328Q327-E331 PolarHBondContact NE2-OE1 3.36Å; Q327-E331 WeakPolarHBondContact O-CG 3.45Å; Q327-E331 PolarHBondContact O-N 3.45Å; A328-E331 PolarHBondContact O-N 3.02Å; A328-E331 VanDerWaalsContact O-N 3.16Å
332A75.2Confident75.2Confident67 Ų6773.6 Ų73.655%0.55444%0.441SS*.SBendtrans-151.3153.1179.200000112.8A328 F334A328-A332 PolarHBondContact O-N 3.3Å; A328-A332 VanDerWaalsContact O-N 3.1Å; A332-F334 PolarHBondContact O-N 2.84Å
333D79.8Confident74.1Confident124 Ų12476.9 Ų76.966%0.66346%0.456SS*.  trans-48.6123.6174.8-54.57.3000111.9D311 R335D311-D333 WeakPolarHBondContact OD2-CA 3.39Å; D333-R335 PolarHBondContact O-N 3.22Å
334F82.1Confident72.9Confident9 Ų981.8 Ų81.84%0.03946%0.459CS..  trans-91103.5175.5177.9-102.2000110.9V308 Q309 C310 D311 F317 V322 C324 A332 C336V308-F334 HydrophobicContact CB-CD1 4.32Å; V308-F334 HydrophobicContact CB-CG 4.5Å; V308-F334 HydrophobicContact CG1-CD1 3.8Å; V308-F334 HydrophobicContact CG1-CE1 3.85Å; V308-F334 HydrophobicContact CG1-CG 4.16Å; V308-F334 HydrophobicContact CG1-CZ 4.25Å; V308-F334 HydrophobicContact CG2-CB 3.5Å; V308-F334 HydrophobicContact CG2-CD1 3.6Å; V308-F334 HydrophobicContact CG2-CD2 4.32Å; V308-F334 HydrophobicContact CG2-CE1 4.48Å; V308-F334 HydrophobicContact CG2-CG 3.51Å; Q309-F334 WeakPolarHBondContact O-CD1 3.27Å; C310-F334 CarbonylContact C-O 3.5Å; C310-F334 VanDerWaalsContact CA-O 3.25Å; C310-F334 WeakPolarHBondContact CA-O 3.29Å; C310-F334 HydrophobicContact CB-CD1 4.26Å; C310-F334 HydrophobicContact CB-CE1 4.31Å; D311-F334 PolarHBondContact N-O 2.77Å; D311-F334 PolarHBondContact OD2-N 3.26Å; F317-F334 HydrophobicContact CD2-CE1 4.1Å; V322-F334 HydrophobicContact CB-CE2 4.16Å; V322-F334 HydrophobicContact CB-CZ 3.67Å; V322-F334 HydrophobicContact CG1-CZ 3.93Å; V322-F334 HydrophobicContact CG2-CE1 4.32Å; V322-F334 HydrophobicContact CG2-CE2 3.77Å; V322-F334 HydrophobicContact CG2-CZ 3.47Å; V322-F334 VanDerWaalsContact CG2-CZ 3.47Å; C324-F334 HydrophobicContact CB-CD2 4.28Å; C324-F334 HydrophobicContact CB-CE2 4.07Å; A332-F334 PolarHBondContact O-N 2.84Å; F334-C336 HydrophobicContact CE1-CB 3.91Å; F334-C336 HydrophobicContact CZ-CB 4.16Å
335R81.8Confident71.2Confident108 Ų10890.4 Ų90.441%0.40851%0.511SS..  trans-90.1127161.9-63-172.5-179.3-145-3.4110.5D333 C339 R340D333-R335 PolarHBondContact O-N 3.22Å; R335-C339 HydrophobicContact CB-CB 4.13Å; R335-R340 HydrophobicContact CB-CG 3.94Å; R335-R340 PolarHBondContact O-NE 3.47Å; R335-R340 PolarHBondContact O-NH2 3.47Å
336C83.8Confident71Confident8 Ų891.7 Ų91.75%0.05451%0.514CS..  trans-68.4164.9174.978.50000111.7C310 F317 F334 G338 C339 R340C310-C336 HydrophobicContact CB-CB 3.98Å; C310-C336 PolarHBondContact SG-N 2.76Å; F317-C336 HydrophobicContact CD2-CB 4.18Å; F317-C336 HydrophobicContact CE1-CB 4.22Å; F317-C336 HydrophobicContact CE2-CB 3.52Å; F317-C336 HydrophobicContact CZ-CB 3.54Å; F334-C336 HydrophobicContact CE1-CB 3.91Å; F334-C336 HydrophobicContact CZ-CB 4.16Å; C336-G338 VanDerWaalsContact C-N 3.26Å; C336-G338 PolarHBondContact O-N 2.83Å; C336-G338 VanDerWaalsContact O-N 3.16Å; C336-C339 CarbonylContact O-C 3.49Å; C336-C339 PolarHBondContact O-N 2.89Å; C336-C339 PolarHBondContact SG-N 2.66Å; C336-C339 VanDerWaalsContact SG-N 3.45Å; C336-C339 VanDerWaalsContact SG-SG 3.69Å; C336-R340 WeakPolarHBondContact O-CG 3.36Å; C336-R340 PolarHBondContact O-N 2.76Å
337P78.7Confident70.9Confident81 Ų8192.1 Ų92.153%0.52652%0.519SS..Hα-helixtrans-53.6-37.9-178.5-2936.6000114.4R340 A341P337-R340 PolarHBondContact O-N 2.75Å; P337-A341 WeakPolarHBondContact O-CB 3.44Å; P337-A341 PolarHBondContact O-N 2.64Å
338G79.3Confident70.9Confident52 Ų5291.7 Ų91.754%0.53652%0.521SS..Hα-helixtrans-65.4-45.517400000113C336 R340 A341 G342C336-G338 VanDerWaalsContact C-N 3.26Å; C336-G338 PolarHBondContact O-N 2.83Å; C336-G338 VanDerWaalsContact O-N 3.16Å; G338-R340 PolarHBondContact O-N 2.83Å; G338-A341 PolarHBondContact O-N 3.47Å; G338-G342 PolarHBondContact O-N 2.76Å
339C81.4Confident71Confident27 Ų2794.6 Ų94.618%0.18253%0.532CS..Hα-helixtrans-72.6-10.2176.4-68.60000114.1C310 G312 C313 R335 C336 I343C310-C339 VanDerWaalsContact SG-SG 3.67Å; G312-C339 VanDerWaalsContact C-SG 3.59Å; C313-C339 VanDerWaalsContact SG-SG 3.65Å; R335-C339 HydrophobicContact CB-CB 4.13Å; C336-C339 CarbonylContact O-C 3.49Å; C336-C339 PolarHBondContact O-N 2.89Å; C336-C339 PolarHBondContact SG-N 2.66Å; C336-C339 VanDerWaalsContact SG-N 3.45Å; C336-C339 VanDerWaalsContact SG-SG 3.69Å; C339-I343 WeakPolarHBondContact O-CD1 3.34Å; C339-I343 WeakPolarHBondContact O-CG1 3.38Å
340R77.5Confident71.1Confident149 Ų14998.6 Ų98.656%0.56255%0.549SS*.Hα-helixtrans-88.3-45.1167.1-67.5-178.4-170.2-143.6-3.1111.2R335 C336 P337 G338 G342 I343R335-R340 HydrophobicContact CB-CG 3.94Å; R335-R340 PolarHBondContact O-NE 3.47Å; R335-R340 PolarHBondContact O-NH2 3.47Å; C336-R340 WeakPolarHBondContact O-CG 3.36Å; C336-R340 PolarHBondContact O-N 2.76Å; P337-R340 PolarHBondContact O-N 2.75Å; G338-R340 PolarHBondContact O-N 2.83Å; R340-G342 VanDerWaalsContact C-N 3.27Å; R340-G342 PolarHBondContact O-N 3.29Å; R340-I343 PolarHBondContact O-N 3.4Å
341A73.9Confident71.3Confident71 Ų7192.5 Ų92.559%0.58754%0.538SS*.Hα-helixtrans-64.8-29.8177.900000113P337 G338 I343P337-A341 WeakPolarHBondContact O-CB 3.44Å; P337-A341 PolarHBondContact O-N 2.64Å; G338-A341 PolarHBondContact O-N 3.47Å; A341-I343 PolarHBondContact O-N 2.9Å
342G62.2Low71.3Confident67 Ų6789.1 Ų89.169%0.69153%0.53SS*.THydrogen-bonded Turntrans-73.6-0.717500000115.8G338 R340 Q344G338-G342 PolarHBondContact O-N 2.76Å; R340-G342 VanDerWaalsContact C-N 3.27Å; R340-G342 PolarHBondContact O-N 3.29Å; G342-Q344 PolarHBondContact O-N 3.22Å
343I55.2Low71Confident98 Ų9890.8 Ų90.850%0.50353%0.528SS..  trans-93.476.4176-48.4176.8000109C339 R340 A341C339-I343 WeakPolarHBondContact O-CD1 3.34Å; C339-I343 WeakPolarHBondContact O-CG1 3.38Å; R340-I343 PolarHBondContact O-N 3.4Å; A341-I343 PolarHBondContact O-N 2.9Å
344Q48.7Very low70.3Confident178 Ų17888.1 Ų88.183%0.83252%0.517SS*.  trans-136.468169-75.6-165.948.400111.6G342G342-Q344 PolarHBondContact O-N 3.22Å
345T38.7Very low69.2Low209 Ų20995.3 Ų95.3100%1.28256%0.56SS**  trans-148.50154.854.40000108.1

Retrieved 345 of 345 residues in 186.5 ms (Link to these results)

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