A0A5K4F2U9_SCHMA Loading...

Cadherin

AlphaFold DB , UniProt , Accession A0A5K4F2U9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,195 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
1M81.5Confident83.9Confident46 Ų4663.5 Ų63.523%0.22735%0.35CS..  0153.8063.1-161.4-79.700107.9L5 I11 L55 I145 E146 L147 K148M1-L5 HydrophobicContact CB-CD1 3.92Å; M1-L5 HydrophobicContact CE-CB 4.05Å; M1-L5 HydrophobicContact CE-CD1 3.5Å; M1-L5 HydrophobicContact CE-CG 4.39Å; M1-L5 HydrophobicContact CG-CD1 4.41Å; M1-I11 HydrophobicContact CE-CD1 4.05Å; M1-I11 HydrophobicContact CE-CG1 4.39Å; M1-I11 HydrophobicContact CE-CG2 4.23Å; M1-I11 HydrophobicContact SD-CD1 4.08Å; M1-I11 HydrophobicContact SD-CG2 3.71Å; M1-L55 HydrophobicContact CE-CD1 3.8Å; M1-L55 HydrophobicContact SD-CD1 4.12Å; M1-I145 HydrophobicContact CG-CG2 3.87Å; M1-I145 HydrophobicContact SD-CG2 3.33Å; M1-I145 WeakPolarHBondContact SD-CG2 3.44Å; M1-E146 PolarHBondContact N-O 2.8Å; M1-L147 HydrophobicContact CG-CD2 3.77Å; M1-L147 CarbonylContact O-C 3.58Å; M1-L147 WeakPolarHBondContact O-CA 3.48Å; M1-L147 HydrophobicContact SD-CD2 4.44Å; M1-K148 PolarHBondContact O-N 2.74Å
2N84.4Confident84Confident88 Ų8860.5 Ų60.547%0.47134%0.344SS..BIsolated β-bridgetrans-67.4157162.8-66.636000108.5L5 I150N2-L5 WeakPolarHBondContact O-CD1 3.42Å; N2-I150 HydrophobicContact CB-CD1 4.07Å; N2-I150 HydrophobicContact CB-CG1 4.21Å
3E83.9Confident84.3Confident3 Ų358.7 Ų58.71%0.01433%0.333CS..SBendtrans-70.3-173.9166.567.9-168.8104.400113L5 L55 R57 L147 K148 D149 I150E3-L5 PolarHBondContact O-N 3.21Å; E3-L55 CarbonylContact C-O 3.55Å; E3-L55 VanDerWaalsContact CA-O 3.31Å; E3-L55 WeakPolarHBondContact CA-O 2.89Å; E3-L55 WeakPolarHBondContact CB-O 3.16Å; E3-R57 HydrophobicContact CB-CB 4.25Å; E3-R57 VanDerWaalsContact CD-CB 3.46Å; E3-R57 WeakPolarHBondContact OE1-CB 3.49Å; E3-R57 IonicContact OE1-NE 3.65Å; E3-R57 WeakPolarHBondContact OE2-CB 3.42Å; E3-R57 PolarHBondContact OE2-N 2.83Å; E3-L147 HydrophobicContact CB-CD2 4.08Å; E3-K148 PolarHBondContact N-O 2.95Å; E3-D149 WeakPolarHBondContact OE1-CA 3.4Å; E3-I150 HydrophobicContact CG-CB 4.37Å; E3-I150 HydrophobicContact CG-CD1 3.69Å; E3-I150 HydrophobicContact CG-CG1 3.85Å; E3-I150 PolarHBondContact OE1-N 2.97Å; E3-I150 VanDerWaalsContact OE1-N 3.16Å
4E83Confident84.6Confident67 Ų6754.9 Ų54.931%0.31331%0.311SS..SBendtrans53.421.1178.4-69.5-61.488.500115.4S6 Q54 L55 D56 I150E4-S6 PolarHBondContact O-N 3.04Å; E4-Q54 WeakPolarHBondContact OE1-CG 3.33Å; E4-Q54 PolarHBondContact OE2-NE2 3.19Å; E4-L55 PolarHBondContact N-O 2.74Å; E4-D56 WeakPolarHBondContact OE1-CB 3.42Å; E4-I150 HydrophobicContact CB-CD1 4.48Å
5L81.7Confident84.6Confident57 Ų5756.4 Ų56.430%0.29832%0.317SS..PPolyproline II helixtrans-72.1127.3175.1-84171.6000111.4M1 N2 E3 T9 N51M1-L5 HydrophobicContact CB-CD1 3.92Å; M1-L5 HydrophobicContact CE-CB 4.05Å; M1-L5 HydrophobicContact CE-CD1 3.5Å; M1-L5 HydrophobicContact CE-CG 4.39Å; M1-L5 HydrophobicContact CG-CD1 4.41Å; N2-L5 WeakPolarHBondContact O-CD1 3.42Å; E3-L5 PolarHBondContact O-N 3.21Å; L5-T9 HydrophobicContact CD2-CG2 4.46Å; L5-N51 PolarHBondContact O-ND2 2.67Å
6S82.2Confident84.6Confident73 Ų7360.9 Ų60.951%0.5134%0.335SS..PPolyproline II helixtrans-50.8146.7-178.343.20000113.8E4 T9 N51E4-S6 PolarHBondContact O-N 3.04Å; S6-T9 WeakPolarHBondContact O-CB 3.43Å; S6-T9 PolarHBondContact O-N 3.2Å; S6-T9 PolarHBondContact O-OG1 2.68Å; S6-T9 PolarHBondContact OG-OG1 2.75Å; S6-N51 PolarHBondContact O-ND2 3.43Å; S6-N51 PolarHBondContact O-OD1 3.22Å; S6-N51 VanDerWaalsContact O-OD1 3.09Å
7I84.2Confident84.6Confident93 Ų9366.3 Ų66.348%0.47735%0.351SS..THydrogen-bonded Turntrans-59.7139.5-179.7-59.1175.3000111.4T9 L52 Q54I7-T9 VanDerWaalsContact C-N 3.32Å; I7-L52 WeakPolarHBondContact CG2-O 3.34Å; I7-Q54 HydrophobicContact CG1-CB 4.32Å
8N84Confident84.4Confident97 Ų9763.8 Ų63.852%0.51934%0.337SS..THydrogen-bonded Turntrans64.522.9-173.8-55.5-63.1000115.5N51N8-N51 WeakPolarHBondContact CA-O 3.44Å; N8-N51 PolarHBondContact N-O 3.1Å; N8-N51 PolarHBondContact N-OD1 2.63Å
9T86.5Confident83.6Confident43 Ų4369.3 Ų69.326%0.26437%0.367SS..  trans-70.8130.9169.2-55.90000110L5 S6 I7 I11 M50 N51L5-T9 HydrophobicContact CD2-CG2 4.46Å; S6-T9 WeakPolarHBondContact O-CB 3.43Å; S6-T9 PolarHBondContact O-N 3.2Å; S6-T9 PolarHBondContact O-OG1 2.68Å; S6-T9 PolarHBondContact OG-OG1 2.75Å; I7-T9 VanDerWaalsContact C-N 3.32Å; T9-I11 WeakPolarHBondContact O-CG1 3.11Å; T9-I11 PolarHBondContact O-N 2.8Å; T9-M50 WeakPolarHBondContact O-CA 3.39Å; T9-N51 WeakPolarHBondContact CA-OD1 3.36Å; T9-N51 PolarHBondContact N-OD1 2.96Å; T9-N51 PolarHBondContact O-N 2.64Å; T9-N51 PolarHBondContact O-OD1 2.64Å
10T86Confident82.5Confident79 Ų7968.3 Ų68.349%0.48537%0.373SS..EExtended strand (participates in β ladder)trans-73.5116.6175.8-42.30000110.6D48 I49 M50T10-D48 HydrophobicContact CG2-CB 4.07Å; T10-I49 CarbonylContact C-O 3.58Å; T10-I49 WeakPolarHBondContact CA-O 2.9Å; T10-M50 HydrophobicContact CG2-CG 4.37Å
11I85.5Confident81.5Confident53 Ų5372.8 Ų72.827%0.27240%0.397SS..EExtended strand (participates in β ladder)trans-90-28.6-173.7-35.5179.1000111.5M1 T9 F40 I49 N51 I145M1-I11 HydrophobicContact CE-CD1 4.05Å; M1-I11 HydrophobicContact CE-CG1 4.39Å; M1-I11 HydrophobicContact CE-CG2 4.23Å; M1-I11 HydrophobicContact SD-CD1 4.08Å; M1-I11 HydrophobicContact SD-CG2 3.71Å; T9-I11 WeakPolarHBondContact O-CG1 3.11Å; T9-I11 PolarHBondContact O-N 2.8Å; I11-F40 HydrophobicContact CD1-CD1 3.45Å; I11-F40 VanDerWaalsContact CD1-CD1 3.45Å; I11-F40 HydrophobicContact CD1-CE1 3.38Å; I11-I49 HydrophobicContact CB-CG2 4.38Å; I11-I49 HydrophobicContact CD1-CG2 4.11Å; I11-I49 HydrophobicContact CG1-CG2 4.37Å; I11-I49 PolarHBondContact N-O 2.64Å; I11-N51 HydrophobicContact CD1-CB 4.1Å; I11-I145 HydrophobicContact CD1-CD1 4.14Å; I11-I145 HydrophobicContact CG2-CD1 4.45Å
12G85.6Confident80.6Confident27 Ų2773.1 Ų73.128%0.27840%0.4SS..EExtended strand (participates in β ladder)trans179.3169.5179.600000111.5I49G12-I49 PolarHBondContact O-N 3.21Å
13N88Confident79.8Confident37 Ų3774.6 Ų74.620%0.19841%0.408CS..EExtended strand (participates in β ladder)trans-125.5133179.1177.9-77000109.9L15 Q16 Y17 T46 D48N13-L15 WeakPolarHBondContact OD1-CA 3.24Å; N13-L15 WeakPolarHBondContact OD1-CB 3.2Å; N13-L15 PolarHBondContact OD1-N 2.81Å; N13-Q16 WeakPolarHBondContact O-CG 2.97Å; N13-Q16 PolarHBondContact O-NE2 2.87Å; N13-Q16 PolarHBondContact OD1-N 2.96Å; N13-Y17 WeakPolarHBondContact O-CE2 3.35Å; N13-T46 PolarHBondContact ND2-O 3.17Å; N13-D48 PolarHBondContact ND2-OD1 2.88Å
14L87.7Confident79.2Confident6 Ų678.3 Ų78.33%0.03143%0.427CS..SBendtrans-86.2-19.9-177.3-64.7173.6000114.2Q16 Y17 F27 V42 G47 I49 V112 F141 I143L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Q16 PolarHBondContact O-N 3.4Å; L14-Y17 PolarHBondContact O-N 2.97Å; L14-F27 HydrophobicContact CB-CD1 3.86Å; L14-F27 HydrophobicContact CB-CE1 3.45Å; L14-F27 VanDerWaalsContact CB-CE1 3.45Å; L14-F27 HydrophobicContact CB-CZ 4.16Å; L14-F27 HydrophobicContact CD1-CD1 4.04Å; L14-F27 HydrophobicContact CD1-CE1 4.46Å; L14-V42 HydrophobicContact CD1-CG1 4.05Å; L14-G47 WeakPolarHBondContact CG-O 3.3Å; L14-G47 PolarHBondContact N-O 2.72Å; L14-I49 HydrophobicContact CD1-CG1 4.44Å; L14-I49 HydrophobicContact CD2-CD1 4.09Å; L14-I49 HydrophobicContact CG-CD1 4.16Å; L14-I49 HydrophobicContact CG-CG1 4.27Å; L14-V112 HydrophobicContact CD1-CB 3.91Å; L14-V112 HydrophobicContact CD1-CG1 3.73Å; L14-V112 HydrophobicContact CD1-CG2 3.95Å; L14-F141 HydrophobicContact CB-CD2 4.42Å; L14-F141 HydrophobicContact CB-CE2 4.36Å; L14-F141 HydrophobicContact CD1-CD2 4.36Å; L14-F141 HydrophobicContact CD2-CB 4.09Å; L14-F141 HydrophobicContact CD2-CD1 4.2Å; L14-F141 HydrophobicContact CD2-CD2 4.27Å; L14-F141 HydrophobicContact CD2-CG 3.93Å; L14-I143 HydrophobicContact CD1-CD1 3.97Å; L14-I143 HydrophobicContact CD2-CD1 3.86Å; L14-I143 HydrophobicContact CD2-CG1 4.3Å; L14-I143 HydrophobicContact CG-CD1 4.46Å
15L84.5Confident79.1Confident77 Ų7775.9 Ų75.940%0.40342%0.417SS..G310 helixtrans-64.9-33.9178.9-163.476.9000111.6N13 Y17 I18 L25 F27 T46N13-L15 WeakPolarHBondContact OD1-CA 3.24Å; N13-L15 WeakPolarHBondContact OD1-CB 3.2Å; N13-L15 PolarHBondContact OD1-N 2.81Å; L15-Y17 PolarHBondContact O-N 3.11Å; L15-Y17 VanDerWaalsContact O-N 3.09Å; L15-I18 PolarHBondContact O-N 3.02Å; L15-L25 HydrophobicContact CD1-CB 4.5Å; L15-L25 HydrophobicContact CD1-CD1 3.62Å; L15-F27 HydrophobicContact CB-CZ 4.2Å; L15-F27 HydrophobicContact CD1-CE2 3.94Å; L15-F27 HydrophobicContact CD1-CZ 3.9Å; L15-T46 WeakPolarHBondContact CB-O 3.07Å
16Q85.1Confident79.2Confident129 Ų12974.8 Ų74.860%0.60341%0.41SS*.G310 helixtrans-61.9-18-179.779.8-169.5-9.800114.4N13 L14N13-Q16 WeakPolarHBondContact O-CG 2.97Å; N13-Q16 PolarHBondContact O-NE2 2.87Å; N13-Q16 PolarHBondContact OD1-N 2.96Å; L14-Q16 VanDerWaalsContact C-N 3.29Å; L14-Q16 PolarHBondContact O-N 3.4Å
17Y84.3Confident79.4Confident152 Ų15271.5 Ų71.560%0.59639%0.386SS*.G310 helixtrans-94.5-3.4178.1-57.6-72000113.4N13 L14 L15 F141N13-Y17 WeakPolarHBondContact O-CE2 3.35Å; L14-Y17 PolarHBondContact O-N 2.97Å; L15-Y17 PolarHBondContact O-N 3.11Å; L15-Y17 VanDerWaalsContact O-N 3.09Å; Y17-F141 HydrophobicContact CG-CE1 4.43Å
18I80.9Confident79.4Confident22 Ų2271 Ų7111%0.11338%0.384CS..  trans-97.799.9-179-58.2-179.8000110.1L15 G20 I22 L25 F27 C114 V138 F141L15-I18 PolarHBondContact O-N 3.02Å; I18-G20 PolarHBondContact O-N 2.85Å; I18-G20 VanDerWaalsContact O-N 3.11Å; I18-I22 HydrophobicContact CG2-CD1 4.26Å; I18-L25 HydrophobicContact CB-CD1 4.41Å; I18-L25 HydrophobicContact CD1-CD1 3.98Å; I18-L25 HydrophobicContact CD1-CD2 4.37Å; I18-L25 HydrophobicContact CG2-CD1 3.94Å; I18-L25 HydrophobicContact CG2-CD2 4.49Å; I18-F27 HydrophobicContact CD1-CE1 3.79Å; I18-F27 HydrophobicContact CD1-CZ 3.73Å; I18-C114 HydrophobicContact CD1-CB 4Å; I18-C114 WeakPolarHBondContact CD1-SG 3.4Å; I18-V138 HydrophobicContact CG2-CG1 3.83Å; I18-F141 HydrophobicContact CD1-CE2 4.08Å; I18-F141 HydrophobicContact CD1-CZ 4.1Å; I18-F141 HydrophobicContact CG1-CE2 4.22Å; I18-F141 HydrophobicContact CG1-CZ 3.72Å
19N69.6Low79.4Confident167 Ų16769 Ų6989%0.89337%0.37SS*.  trans-70.2104.5173.7-85.8-38.4000111.8
20G62.1Low79Confident49 Ų4970 Ų7051%0.50537%0.374SS..SBendtrans149.3152166.200000113.1I18 I22I18-G20 PolarHBondContact O-N 2.85Å; I18-G20 VanDerWaalsContact O-N 3.11Å; G20-I22 PolarHBondContact O-N 3.26Å
21N60.6Low78.1Confident163 Ų16372 Ų7287%0.87239%0.386SS*.  trans-78.857.2178-156.412.9000111N23N21-N23 PolarHBondContact O-N 2.91Å
22I63.7Low77.1Confident54 Ų5475 Ų7528%0.27740%0.403SS..  trans-89.6103.1-174.4-54.4174.1000108.7I18 G20 L25 N116 V138I18-I22 HydrophobicContact CG2-CD1 4.26Å; G20-I22 PolarHBondContact O-N 3.26Å; I22-L25 HydrophobicContact CB-CD1 4.18Å; I22-L25 HydrophobicContact CB-CD2 4.06Å; I22-L25 HydrophobicContact CB-CG 4.09Å; I22-L25 HydrophobicContact CD1-CD2 4.49Å; I22-L25 HydrophobicContact CG2-CD2 3.64Å; I22-L25 HydrophobicContact CG2-CG 3.92Å; I22-L25 WeakPolarHBondContact O-CG 3.46Å; I22-N116 HydrophobicContact CG2-CB 4.02Å; I22-N116 VanDerWaalsContact CG2-ND2 3.34Å; I22-N116 WeakPolarHBondContact CG2-ND2 3.45Å; I22-V138 HydrophobicContact CD1-CG1 4.06Å
23N66.3Low75.8Confident119 Ų11980.6 Ų80.664%0.63643%0.425SS*.THydrogen-bonded Turntrans-67.8151.7170.4-66.3-28.3000110.9N21N21-N23 PolarHBondContact O-N 2.91Å
24N72.2Confident74.3Confident81 Ų8186 Ų8643%0.43345%0.454SS..THydrogen-bonded Turntrans61.639.7174.9-44.7-26.9000115T117 P119N24-T117 WeakPolarHBondContact CB-O 3.37Å; N24-T117 PolarHBondContact ND2-O 3.27Å; N24-T117 PolarHBondContact O-N 3.39Å; N24-T117 PolarHBondContact O-OG1 3.18Å; N24-P119 WeakPolarHBondContact ND2-CD 3.34Å
25L81.1Confident73.1Confident16 Ų1686.5 Ų86.58%0.08446%0.456CS..EExtended strand (participates in β ladder)trans-65140.5161.6-66.1167.5000109.8L15 I18 I22 F27 L115 N116 V138L15-L25 HydrophobicContact CD1-CB 4.5Å; L15-L25 HydrophobicContact CD1-CD1 3.62Å; I18-L25 HydrophobicContact CB-CD1 4.41Å; I18-L25 HydrophobicContact CD1-CD1 3.98Å; I18-L25 HydrophobicContact CD1-CD2 4.37Å; I18-L25 HydrophobicContact CG2-CD1 3.94Å; I18-L25 HydrophobicContact CG2-CD2 4.49Å; I22-L25 HydrophobicContact CB-CD1 4.18Å; I22-L25 HydrophobicContact CB-CD2 4.06Å; I22-L25 HydrophobicContact CB-CG 4.09Å; I22-L25 HydrophobicContact CD1-CD2 4.49Å; I22-L25 HydrophobicContact CG2-CD2 3.64Å; I22-L25 HydrophobicContact CG2-CG 3.92Å; I22-L25 WeakPolarHBondContact O-CG 3.46Å; L25-F27 HydrophobicContact CB-CE2 4.47Å; L25-L115 CarbonylContact C-O 3.55Å; L25-L115 WeakPolarHBondContact CA-O 3.06Å; L25-N116 HydrophobicContact CD2-CB 4.47Å; L25-V138 HydrophobicContact CD2-CB 4.3Å; L25-V138 HydrophobicContact CD2-CG1 4.26Å; L25-V138 HydrophobicContact CD2-CG2 3.8Å
26H83.7Confident72.6Confident34 Ų3486.1 Ų86.116%0.15745%0.452CS..EExtended strand (participates in β ladder)trans-136.6116.3-178.2-137.2-25.6000108.6Q44 Y45 L115 T117H26-Q44 CarbonylContact C-O 3.56Å; H26-Q44 WeakPolarHBondContact CA-O 3.42Å; H26-Q44 PolarHBondContact CE1-OE1 2.86Å; H26-Q44 PolarHBondContact ND1-O 2.83Å; H26-Y45 AromaticContact CE1-CD1 3.74Å; H26-Y45 AromaticContact CE1-CE1 3.18Å; H26-Y45 WeakPolarHBondContact CE1-CE1 3.3Å; H26-Y45 AromaticContact CE1-CZ 3.73Å; H26-Y45 AromaticContact ND1-CD1 3.98Å; H26-Y45 AromaticContact ND1-CE1 3.87Å; H26-Y45 AromaticContact NE2-CE1 3.43Å; H26-Y45 WeakPolarHBondContact NE2-CE1 3.44Å; H26-L115 PolarHBondContact N-O 2.98Å; H26-L115 PolarHBondContact O-N 2.79Å; H26-T117 HydrophobicContact CB-CG2 3.83Å
27F85.9Confident72Confident4 Ų480.1 Ų80.12%0.01843%0.425CS..EExtended strand (participates in β ladder)trans-91.5126.2-178.7-62.1-91.3000110L14 L15 I18 L25 V42 Q44 V112 C114 F141L14-F27 HydrophobicContact CB-CD1 3.86Å; L14-F27 HydrophobicContact CB-CE1 3.45Å; L14-F27 VanDerWaalsContact CB-CE1 3.45Å; L14-F27 HydrophobicContact CB-CZ 4.16Å; L14-F27 HydrophobicContact CD1-CD1 4.04Å; L14-F27 HydrophobicContact CD1-CE1 4.46Å; L15-F27 HydrophobicContact CB-CZ 4.2Å; L15-F27 HydrophobicContact CD1-CE2 3.94Å; L15-F27 HydrophobicContact CD1-CZ 3.9Å; I18-F27 HydrophobicContact CD1-CE1 3.79Å; I18-F27 HydrophobicContact CD1-CZ 3.73Å; L25-F27 HydrophobicContact CB-CE2 4.47Å; F27-V42 HydrophobicContact CB-CG1 4.18Å; F27-Q44 PolarHBondContact N-O 3.46Å; F27-Q44 WeakPolarHBondContact O-CA 3.19Å; F27-V112 HydrophobicContact CB-CG1 4.07Å; F27-V112 HydrophobicContact CD1-CG1 4.27Å; F27-C114 HydrophobicContact CD1-CB 3.91Å; F27-C114 HydrophobicContact CE1-CB 3.92Å; F27-F141 AromaticContact CE1-CE2 3.99Å; F27-F141 HydrophobicContact CE1-CE2 3.99Å
28I84.7Confident71.9Confident82 Ų8280 Ų8042%0.42143%0.427SS..EExtended strand (participates in β ladder)trans-122.6104.8178.1-57.1-172.9000107.9L30 N113 L115I28-L30 PolarHBondContact O-N 2.85Å; I28-N113 PolarHBondContact N-O 2.95Å; I28-N113 PolarHBondContact O-N 2.87Å; I28-L115 HydrophobicContact CD1-CD1 3.66Å; I28-L115 HydrophobicContact CG1-CD1 4.39Å
29K83.1Confident72Confident55 Ų5580.3 Ų80.324%0.23943%0.429CS..EExtended strand (participates in β ladder)trans-59.5126.1169.2-168.2-173.966.2173.90108.8S37 F40 V42 F110 V112K29-S37 PolarHBondContact NZ-O 2.81Å; K29-F40 PolarHBondContact NZ-O 2.66Å; K29-V42 HydrophobicContact CB-CB 4.35Å; K29-V42 HydrophobicContact CB-CG2 4.18Å; K29-V42 HydrophobicContact CD-CG2 4.16Å; K29-V42 HydrophobicContact CG-CG2 4.22Å; K29-F110 HydrophobicContact CD-CD2 4.08Å; K29-F110 HydrophobicContact CD-CE2 4.24Å; K29-F110 HydrophobicContact CG-CD2 3.9Å; K29-F110 HydrophobicContact CG-CE2 4.19Å; K29-V112 HydrophobicContact CB-CG2 4.31Å; K29-V112 HydrophobicContact CG-CG2 4.24Å
30L77.7Confident72.9Confident65 Ų6572.4 Ų72.434%0.3439%0.386SS..  trans-74.2157.5173.2-66.5176.4000109.6I28 S111I28-L30 PolarHBondContact O-N 2.85Å; L30-S111 PolarHBondContact N-O 3.35Å
31T68.4Low74.1Confident120 Ų12072.2 Ų72.274%0.73638%0.376SS*.  trans-125.687.1177.455.10000108.3
32N63.4Low75.4Confident117 Ų11765.3 Ų65.363%0.62634%0.339SS*.  trans-78.7169165.2-105-21000110.6D35N32-D35 HydrophobicContact CB-CB 3.58Å; N32-D35 PolarHBondContact N-OD2 3.02Å; N32-D35 WeakPolarHBondContact O-CB 3.47Å
33I59.2Low76.4Confident144 Ų14465.3 Ų65.374%0.73834%0.34SS*.SBendtrans-76.8-44.4-177-67.7171.8000110.7D35I33-D35 VanDerWaalsContact C-N 3.25Å; I33-D35 PolarHBondContact O-N 2.98Å
34D57.2Low77.3Confident150 Ų15064.3 Ų64.380%0.80233%0.331SS*.SBendtrans-91.324.4-176.2-43.2-66.3000112.8
35D61.8Low77.8Confident16 Ų1667.1 Ų67.19%0.08634%0.337CS..  trans-105124.6-160-171.4-32.8000112N32 I33 S37 F110N32-D35 HydrophobicContact CB-CB 3.58Å; N32-D35 PolarHBondContact N-OD2 3.02Å; N32-D35 WeakPolarHBondContact O-CB 3.47Å; I33-D35 VanDerWaalsContact C-N 3.25Å; I33-D35 PolarHBondContact O-N 2.98Å; D35-S37 PolarHBondContact O-N 2.94Å; D35-S37 PolarHBondContact O-OG 2.8Å; D35-S37 WeakPolarHBondContact OD1-CA 3.3Å; D35-S37 WeakPolarHBondContact OD1-CB 3.46Å; D35-S37 PolarHBondContact OD1-N 3.38Å; D35-S37 PolarHBondContact OD1-OG 2.96Å; D35-S37 VanDerWaalsContact OD1-OG 3.12Å; D35-F110 WeakPolarHBondContact OD1-CA 3.2Å; D35-F110 WeakPolarHBondContact OD1-CB 3.48Å
36H73.2Confident78Confident69 Ų6968.9 Ų68.932%0.31935%0.348SS..G310 helixtrans-67-3.9178.9-64.494.7000113.2K38 L39 F40 L108 Y109H36-K38 PolarHBondContact O-N 3.08Å; H36-L39 HydrophobicContact CB-CD1 4.4Å; H36-L39 WeakPolarHBondContact O-CB 3.38Å; H36-L39 PolarHBondContact O-N 2.87Å; H36-F40 HydrophobicContact CB-CE2 4.44Å; H36-L108 HydrophobicContact CB-CB 4.06Å; H36-L108 HydrophobicContact CB-CD2 4.48Å; H36-L108 VanDerWaalsContact CD2-CD2 3.41Å; H36-L108 WeakPolarHBondContact CD2-CD2 3.38Å; H36-Y109 WeakPolarHBondContact CB-O 3.31Å; H36-Y109 PolarHBondContact N-O 3.37Å; H36-Y109 VanDerWaalsContact N-O 3.11Å; H36-Y109 PolarHBondContact ND1-N 3.13Å
37S73.6Confident78.1Confident4 Ų467.2 Ų67.23%0.02834%0.341CS..G310 helixtrans-39.7-27.716960.50000115.2K29 D35 L39 F40K29-S37 PolarHBondContact NZ-O 2.81Å; D35-S37 PolarHBondContact O-N 2.94Å; D35-S37 PolarHBondContact O-OG 2.8Å; D35-S37 WeakPolarHBondContact OD1-CA 3.3Å; D35-S37 WeakPolarHBondContact OD1-CB 3.46Å; D35-S37 PolarHBondContact OD1-N 3.38Å; D35-S37 PolarHBondContact OD1-OG 2.96Å; D35-S37 VanDerWaalsContact OD1-OG 3.12Å; S37-L39 PolarHBondContact O-N 2.83Å; S37-F40 PolarHBondContact O-N 2.99Å
38K80.7Confident78.2Confident150 Ų15069.1 Ų69.165%0.65235%0.351SS*.G310 helixtrans-63.8-28176.1-67.1171.7-170.4153.20113H36 F40 L52H36-K38 PolarHBondContact O-N 3.08Å; K38-F40 VanDerWaalsContact C-N 3.29Å; K38-L52 WeakPolarHBondContact O-CD1 3.11Å
39L83.9Confident78.5Confident28 Ų2865.8 Ų65.815%0.14733%0.334CS..G310 helixtrans-77.2-15.3177.6-57.6174.4000112.8H36 S37 L52 Y53 L55 L60 L108H36-L39 HydrophobicContact CB-CD1 4.4Å; H36-L39 WeakPolarHBondContact O-CB 3.38Å; H36-L39 PolarHBondContact O-N 2.87Å; S37-L39 PolarHBondContact O-N 2.83Å; L39-L52 PolarHBondContact O-N 3.16Å; L39-Y53 HydrophobicContact CD2-CD2 4.02Å; L39-L55 HydrophobicContact CB-CD2 4.13Å; L39-L55 HydrophobicContact CD1-CD2 4.27Å; L39-L55 HydrophobicContact CD2-CD2 4.2Å; L39-L55 HydrophobicContact CG-CD2 4.43Å; L39-L60 HydrophobicContact CD1-CD1 4.27Å; L39-L60 HydrophobicContact CD1-CD2 3.87Å; L39-L60 HydrophobicContact CD2-CD2 4.32Å; L39-L108 HydrophobicContact CD1-CD1 4.03Å; L39-L108 HydrophobicContact CD1-CD2 4.33Å
40F87.6Confident78.8Confident0 Ų065.4 Ų65.40%033%0.333CS..EExtended strand (participates in β ladder)trans-127.4139-169.8-55.2-67.4000112.8I11 K29 H36 S37 K38 I49 M50 L55 L108 F110 I145I11-F40 HydrophobicContact CD1-CD1 3.45Å; I11-F40 VanDerWaalsContact CD1-CD1 3.45Å; I11-F40 HydrophobicContact CD1-CE1 3.38Å; K29-F40 PolarHBondContact NZ-O 2.66Å; H36-F40 HydrophobicContact CB-CE2 4.44Å; S37-F40 PolarHBondContact O-N 2.99Å; K38-F40 VanDerWaalsContact C-N 3.29Å; F40-I49 HydrophobicContact CB-CG2 4.42Å; F40-I49 HydrophobicContact CD1-CG2 4.47Å; F40-M50 CarbonylContact C-O 3.53Å; F40-M50 WeakPolarHBondContact CA-O 3.01Å; F40-L55 HydrophobicContact CE1-CD1 3.75Å; F40-L55 HydrophobicContact CZ-CD1 3.92Å; F40-L108 HydrophobicContact CE2-CB 4.09Å; F40-L108 HydrophobicContact CE2-CD1 4.11Å; F40-L108 HydrophobicContact CZ-CB 4.33Å; F40-L108 HydrophobicContact CZ-CD1 3.72Å; F40-F110 HydrophobicContact CB-CD1 4.44Å; F40-F110 HydrophobicContact CB-CE1 3.91Å; F40-F110 HydrophobicContact CB-CZ 3.96Å; F40-F110 AromaticContact CD2-CD1 3.57Å; F40-F110 HydrophobicContact CD2-CD1 3.57Å; F40-F110 AromaticContact CD2-CE1 3.53Å; F40-F110 HydrophobicContact CD2-CE1 3.53Å; F40-F110 HydrophobicContact CD2-CG 4.49Å; F40-F110 HydrophobicContact CD2-CZ 4.42Å; F40-F110 HydrophobicContact CE2-CD1 4.17Å; F40-F110 HydrophobicContact CE2-CE1 4.21Å; F40-F110 HydrophobicContact CG-CD1 4.21Å; F40-F110 AromaticContact CG-CE1 3.73Å; F40-F110 HydrophobicContact CG-CE1 3.73Å; F40-F110 HydrophobicContact CG-CZ 4.26Å; F40-I145 HydrophobicContact CD1-CD1 4.07Å; F40-I145 HydrophobicContact CD2-CD1 4.43Å; F40-I145 HydrophobicContact CE1-CD1 3.62Å; F40-I145 HydrophobicContact CE2-CD1 4.02Å; F40-I145 HydrophobicContact CG-CD1 4.46Å; F40-I145 HydrophobicContact CZ-CB 4.43Å; F40-I145 HydrophobicContact CZ-CD1 3.6Å; F40-I145 HydrophobicContact CZ-CG2 4.27Å
41T88Confident79.2Confident45 Ų4562.3 Ų62.328%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-107.8148.9165.9-172.70000110.1I49 M50 L52T41-I49 WeakPolarHBondContact O-CA 3.14Å; T41-M50 HydrophobicContact CG2-CB 3.84Å; T41-M50 HydrophobicContact CG2-CE 3.79Å; T41-M50 PolarHBondContact N-O 2.84Å; T41-M50 PolarHBondContact O-N 3.46Å; T41-L52 HydrophobicContact CG2-CD2 4.12Å; T41-L52 HydrophobicContact CG2-CG 4.24Å
42V87.3Confident79.9Confident18 Ų1859.7 Ų59.711%0.10930%0.298CS..EExtended strand (participates in β ladder)trans-124.8123.1176.6-177.50000108L14 F27 K29 Q44 D48 I49 F110 V112L14-V42 HydrophobicContact CD1-CG1 4.05Å; F27-V42 HydrophobicContact CB-CG1 4.18Å; K29-V42 HydrophobicContact CB-CB 4.35Å; K29-V42 HydrophobicContact CB-CG2 4.18Å; K29-V42 HydrophobicContact CD-CG2 4.16Å; K29-V42 HydrophobicContact CG-CG2 4.22Å; V42-Q44 PolarHBondContact O-N 3.24Å; V42-Q44 VanDerWaalsContact O-N 3.14Å; V42-D48 CarbonylContact C-O 3.49Å; V42-D48 VanDerWaalsContact CA-O 3.3Å; V42-D48 WeakPolarHBondContact CA-O 3.47Å; V42-I49 HydrophobicContact CG2-CG1 4.37Å; V42-F110 HydrophobicContact CG2-CE2 3.71Å; V42-F110 HydrophobicContact CG2-CZ 4.25Å; V42-V112 HydrophobicContact CG1-CG1 4.37Å; V42-V112 HydrophobicContact CG2-CG2 3.94Å
43N85.9Confident80.8Confident55 Ų5560.5 Ų60.529%0.29429%0.294SS..  trans-67.8113.1176.1-177.5-27.4000109.5Y45 T46 G47 D48N43-Y45 PolarHBondContact O-N 3.09Å; N43-Y45 PolarHBondContact OD1-N 3.43Å; N43-T46 WeakPolarHBondContact CB-OG1 3.39Å; N43-T46 PolarHBondContact ND2-OG1 2.79Å; N43-T46 PolarHBondContact O-N 3.45Å; N43-T46 PolarHBondContact OD1-N 3.34Å; N43-G47 WeakPolarHBondContact O-CA 3.13Å; N43-G47 PolarHBondContact O-N 3.13Å; N43-D48 HydrophobicContact CB-CB 4.09Å; N43-D48 PolarHBondContact N-O 3.29Å
44Q85.2Confident82Confident97 Ų9758.5 Ų58.545%0.45328%0.281SS..THydrogen-bonded Turntrans-58.3-16.3-174.565.5-178.3-27.100115.4H26 F27 V42H26-Q44 CarbonylContact C-O 3.56Å; H26-Q44 WeakPolarHBondContact CA-O 3.42Å; H26-Q44 PolarHBondContact CE1-OE1 2.86Å; H26-Q44 PolarHBondContact ND1-O 2.83Å; F27-Q44 PolarHBondContact N-O 3.46Å; F27-Q44 WeakPolarHBondContact O-CA 3.19Å; V42-Q44 PolarHBondContact O-N 3.24Å; V42-Q44 VanDerWaalsContact O-N 3.14Å
45Y82.4Confident83.3Confident141 Ų14151.4 Ų51.455%0.55324%0.243SC*.THydrogen-bonded Turntrans-110.1-39.2-179.8-60.6-61.4000113.7H26 N43H26-Y45 AromaticContact CE1-CD1 3.74Å; H26-Y45 AromaticContact CE1-CE1 3.18Å; H26-Y45 WeakPolarHBondContact CE1-CE1 3.3Å; H26-Y45 AromaticContact CE1-CZ 3.73Å; H26-Y45 AromaticContact ND1-CD1 3.98Å; H26-Y45 AromaticContact ND1-CE1 3.87Å; H26-Y45 AromaticContact NE2-CE1 3.43Å; H26-Y45 WeakPolarHBondContact NE2-CE1 3.44Å; N43-Y45 PolarHBondContact O-N 3.09Å; N43-Y45 PolarHBondContact OD1-N 3.43Å
46T84.3Confident84.3Confident52 Ų5253 Ų5332%0.31925%0.252SS..THydrogen-bonded Turntrans-95.9-18.1-176.3620000113.6N13 L15 N43 D48N13-T46 PolarHBondContact ND2-O 3.17Å; L15-T46 WeakPolarHBondContact CB-O 3.07Å; N43-T46 WeakPolarHBondContact CB-OG1 3.39Å; N43-T46 PolarHBondContact ND2-OG1 2.79Å; N43-T46 PolarHBondContact O-N 3.45Å; N43-T46 PolarHBondContact OD1-N 3.34Å; T46-D48 VanDerWaalsContact C-N 3.29Å; T46-D48 WeakPolarHBondContact CB-OD2 3.29Å; T46-D48 VanDerWaalsContact OG1-CG 3.25Å; T46-D48 PolarHBondContact OG1-N 3.14Å; T46-D48 PolarHBondContact OG1-OD2 3.47Å
47G86.1Confident84.8Confident0 Ų050.5 Ų50.50%024%0.239CC..  trans77.18.7-174.200000114.5L14 N43 I49L14-G47 WeakPolarHBondContact CG-O 3.3Å; L14-G47 PolarHBondContact N-O 2.72Å; N43-G47 WeakPolarHBondContact O-CA 3.13Å; N43-G47 PolarHBondContact O-N 3.13Å; G47-I49 PolarHBondContact O-N 3.32Å
48D89.5Confident85.2Confident44 Ų4451.4 Ų51.424%0.23524%0.243CC..EExtended strand (participates in β ladder)trans-66.4126.4177.5-64.7-49.4000111.7T10 N13 V42 N43 T46T10-D48 HydrophobicContact CG2-CB 4.07Å; N13-D48 PolarHBondContact ND2-OD1 2.88Å; V42-D48 CarbonylContact C-O 3.49Å; V42-D48 VanDerWaalsContact CA-O 3.3Å; V42-D48 WeakPolarHBondContact CA-O 3.47Å; N43-D48 HydrophobicContact CB-CB 4.09Å; N43-D48 PolarHBondContact N-O 3.29Å; T46-D48 VanDerWaalsContact C-N 3.29Å; T46-D48 WeakPolarHBondContact CB-OD2 3.29Å; T46-D48 VanDerWaalsContact OG1-CG 3.25Å; T46-D48 PolarHBondContact OG1-N 3.14Å; T46-D48 PolarHBondContact OG1-OD2 3.47Å
49I89.8Confident85.1Confident11 Ų1149 Ų496%0.05624%0.241CC..EExtended strand (participates in β ladder)trans-92.8129.4172.1-53.6163.2000108.2T10 I11 G12 L14 F40 T41 V42 G47 F110 I143T10-I49 CarbonylContact C-O 3.58Å; T10-I49 WeakPolarHBondContact CA-O 2.9Å; I11-I49 HydrophobicContact CB-CG2 4.38Å; I11-I49 HydrophobicContact CD1-CG2 4.11Å; I11-I49 HydrophobicContact CG1-CG2 4.37Å; I11-I49 PolarHBondContact N-O 2.64Å; G12-I49 PolarHBondContact O-N 3.21Å; L14-I49 HydrophobicContact CD1-CG1 4.44Å; L14-I49 HydrophobicContact CD2-CD1 4.09Å; L14-I49 HydrophobicContact CG-CD1 4.16Å; L14-I49 HydrophobicContact CG-CG1 4.27Å; F40-I49 HydrophobicContact CB-CG2 4.42Å; F40-I49 HydrophobicContact CD1-CG2 4.47Å; T41-I49 WeakPolarHBondContact O-CA 3.14Å; V42-I49 HydrophobicContact CG2-CG1 4.37Å; G47-I49 PolarHBondContact O-N 3.32Å; I49-F110 HydrophobicContact CD1-CZ 4.38Å; I49-F110 HydrophobicContact CG1-CZ 4.38Å; I49-F110 HydrophobicContact CG2-CE1 4.39Å; I49-F110 HydrophobicContact CG2-CZ 3.79Å; I49-I143 HydrophobicContact CD1-CD1 3.98Å; I49-I143 HydrophobicContact CD1-CG2 4.22Å
50M89Confident84.7Confident47 Ų4750.2 Ų50.223%0.23225%0.248CC..EExtended strand (participates in β ladder)trans-133.1146.3175.5-58.3173.1-69.900110.7T9 T10 F40 T41T9-M50 WeakPolarHBondContact O-CA 3.39Å; T10-M50 HydrophobicContact CG2-CG 4.37Å; F40-M50 CarbonylContact C-O 3.53Å; F40-M50 WeakPolarHBondContact CA-O 3.01Å; T41-M50 HydrophobicContact CG2-CB 3.84Å; T41-M50 HydrophobicContact CG2-CE 3.79Å; T41-M50 PolarHBondContact N-O 2.84Å; T41-M50 PolarHBondContact O-N 3.46Å
51N86.9Confident84.1Confident0 Ų051.3 Ų51.30%026%0.255CS..EExtended strand (participates in β ladder)trans-76.6136.2172.863.5-41.9000111.4L5 S6 N8 T9 I11 Y53 L55L5-N51 PolarHBondContact O-ND2 2.67Å; S6-N51 PolarHBondContact O-ND2 3.43Å; S6-N51 PolarHBondContact O-OD1 3.22Å; S6-N51 VanDerWaalsContact O-OD1 3.09Å; N8-N51 WeakPolarHBondContact CA-O 3.44Å; N8-N51 PolarHBondContact N-O 3.1Å; N8-N51 PolarHBondContact N-OD1 2.63Å; T9-N51 WeakPolarHBondContact CA-OD1 3.36Å; T9-N51 PolarHBondContact N-OD1 2.96Å; T9-N51 PolarHBondContact O-N 2.64Å; T9-N51 PolarHBondContact O-OD1 2.64Å; I11-N51 HydrophobicContact CD1-CB 4.1Å; N51-Y53 PolarHBondContact ND2-O 2.84Å; N51-L55 HydrophobicContact CB-CD1 4.37Å; N51-L55 HydrophobicContact CB-CG 4.49Å
52L83.4Confident82.8Confident65 Ų6550.7 Ų50.734%0.3425%0.251SS..SBendtrans-88-18175.8-75.5166.7000113I7 K38 L39 T41I7-L52 WeakPolarHBondContact CG2-O 3.34Å; K38-L52 WeakPolarHBondContact O-CD1 3.11Å; L39-L52 PolarHBondContact O-N 3.16Å; T41-L52 HydrophobicContact CG2-CD2 4.12Å; T41-L52 HydrophobicContact CG2-CG 4.24Å
53Y82.4Confident80.9Confident135 Ų13552.7 Ų52.753%0.52926%0.264SS..SBendtrans-136.1156.5179.6-53.3-83.1000109.2L39 N51L39-Y53 HydrophobicContact CD2-CD2 4.02Å; N51-Y53 PolarHBondContact ND2-O 2.84Å
54Q83.4Confident78.5Confident102 Ų10257 Ų5748%0.47729%0.286SS..  trans-63.4136.2162.7-166.3156.2-24.500106.9E4 I7E4-Q54 WeakPolarHBondContact OE1-CG 3.33Å; E4-Q54 PolarHBondContact OE2-NE2 3.19Å; I7-Q54 HydrophobicContact CG1-CB 4.32Å
55L84.3Confident76.1Confident1 Ų156.1 Ų56.11%0.00529%0.292CS..  trans-113.896.3-171.4-56.1-176.7000107.7M1 E3 E4 L39 F40 N51 L60 L108 L147M1-L55 HydrophobicContact CE-CD1 3.8Å; M1-L55 HydrophobicContact SD-CD1 4.12Å; E3-L55 CarbonylContact C-O 3.55Å; E3-L55 VanDerWaalsContact CA-O 3.31Å; E3-L55 WeakPolarHBondContact CA-O 2.89Å; E3-L55 WeakPolarHBondContact CB-O 3.16Å; E4-L55 PolarHBondContact N-O 2.74Å; L39-L55 HydrophobicContact CB-CD2 4.13Å; L39-L55 HydrophobicContact CD1-CD2 4.27Å; L39-L55 HydrophobicContact CD2-CD2 4.2Å; L39-L55 HydrophobicContact CG-CD2 4.43Å; F40-L55 HydrophobicContact CE1-CD1 3.75Å; F40-L55 HydrophobicContact CZ-CD1 3.92Å; N51-L55 HydrophobicContact CB-CD1 4.37Å; N51-L55 HydrophobicContact CB-CG 4.49Å; L55-L60 HydrophobicContact CB-CD1 3.8Å; L55-L60 HydrophobicContact CD2-CD1 3.9Å; L55-L60 HydrophobicContact CG-CD1 4.37Å; L55-L108 HydrophobicContact CD1-CD1 4.33Å; L55-L147 HydrophobicContact CB-CD1 4.38Å; L55-L147 HydrophobicContact CB-CD2 4.16Å
56D84.6Confident73.8Confident48 Ų4853.6 Ų53.626%0.25730%0.299SS..  trans-89.1135.7168.5106.654.1000108.7E4 E58 T59 L60E4-D56 WeakPolarHBondContact OE1-CB 3.42Å; D56-E58 PolarHBondContact OD1-N 2.99Å; D56-E58 VanDerWaalsContact OD1-N 3.1Å; D56-T59 PolarHBondContact OD1-N 3.06Å; D56-T59 PolarHBondContact OD1-OG1 3.43Å; D56-T59 WeakPolarHBondContact OD2-CB 3.11Å; D56-T59 WeakPolarHBondContact OD2-CG2 3.07Å; D56-T59 PolarHBondContact OD2-OG1 3.23Å; D56-L60 VanDerWaalsContact O-CB 3.28Å; D56-L60 WeakPolarHBondContact O-CB 3.12Å; D56-L60 WeakPolarHBondContact O-CD1 3.48Å; D56-L60 WeakPolarHBondContact O-CG 3.3Å; D56-L60 PolarHBondContact O-N 2.85Å
57R83.2Confident71.3Confident17 Ų1757 Ų576%0.06432%0.32CS..Hα-helixtrans-80.1-33.7-170.2-170.8-162.375.9125.23.1110.7E3 T59 L60 C61 C106 L147 D149E3-R57 HydrophobicContact CB-CB 4.25Å; E3-R57 VanDerWaalsContact CD-CB 3.46Å; E3-R57 WeakPolarHBondContact OE1-CB 3.49Å; E3-R57 IonicContact OE1-NE 3.65Å; E3-R57 WeakPolarHBondContact OE2-CB 3.42Å; E3-R57 PolarHBondContact OE2-N 2.83Å; R57-T59 VanDerWaalsContact C-N 3.35Å; R57-T59 PolarHBondContact O-N 2.94Å; R57-L60 PolarHBondContact O-N 2.9Å; R57-C61 WeakPolarHBondContact O-CB 3.48Å; R57-C61 PolarHBondContact O-N 2.61Å; R57-C106 HydrophobicContact CG-CB 3.93Å; R57-L147 HydrophobicContact CG-CB 4.27Å; R57-D149 IonicContact CZ-OD1 2.65Å; R57-D149 IonicContact NE-OD1 2.68Å; R57-D149 PolarHBondContact NE-OD1 2.95Å; R57-D149 IonicContact NH1-OD1 3.68Å; R57-D149 PolarHBondContact NH1-OD1 2.75Å; R57-D149 IonicContact NH2-OD1 2.84Å; R57-D149 PolarHBondContact NH2-OD1 2.68Å
58E81.3Confident68.5Low23 Ų2362.9 Ų62.911%0.10736%0.357CS..Hα-helixtrans-65.8-33.5-179.4-78.642.3-10300112.1D56 T62 M102 P186D56-E58 PolarHBondContact OD1-N 2.99Å; D56-E58 VanDerWaalsContact OD1-N 3.1Å; E58-T62 WeakPolarHBondContact O-CB 3.35Å; E58-T62 WeakPolarHBondContact O-CG2 3.46Å; E58-T62 PolarHBondContact O-OG1 2.9Å; E58-M102 HydrophobicContact CG-CE 3.95Å; E58-M102 WeakPolarHBondContact OE1-CE 3.41Å; E58-P186 HydrophobicContact CG-CB 4.08Å
59T79.8Confident65.8Low100 Ų10068.9 Ų68.961%0.61338%0.377SS*.Hα-helixtrans-90.4-24.6172.567.60000113.7D56 R57D56-T59 PolarHBondContact OD1-N 3.06Å; D56-T59 PolarHBondContact OD1-OG1 3.43Å; D56-T59 WeakPolarHBondContact OD2-CB 3.11Å; D56-T59 WeakPolarHBondContact OD2-CG2 3.07Å; D56-T59 PolarHBondContact OD2-OG1 3.23Å; R57-T59 VanDerWaalsContact C-N 3.35Å; R57-T59 PolarHBondContact O-N 2.94Å
60L75.4Confident62.9Low53 Ų5374.8 Ų74.828%0.27741%0.409SS..Hα-helixtrans-84.7-33.3179.9-73.6174.6000114.5L39 L55 D56 R57 L108 L147L39-L60 HydrophobicContact CD1-CD1 4.27Å; L39-L60 HydrophobicContact CD1-CD2 3.87Å; L39-L60 HydrophobicContact CD2-CD2 4.32Å; L55-L60 HydrophobicContact CB-CD1 3.8Å; L55-L60 HydrophobicContact CD2-CD1 3.9Å; L55-L60 HydrophobicContact CG-CD1 4.37Å; D56-L60 VanDerWaalsContact O-CB 3.28Å; D56-L60 WeakPolarHBondContact O-CB 3.12Å; D56-L60 WeakPolarHBondContact O-CD1 3.48Å; D56-L60 WeakPolarHBondContact O-CG 3.3Å; D56-L60 PolarHBondContact O-N 2.85Å; R57-L60 PolarHBondContact O-N 2.9Å; L60-L108 HydrophobicContact CD1-CD1 4.42Å; L60-L147 HydrophobicContact CD1-CD1 3.86Å
61C73.3Confident60Low23 Ų2381.4 Ų81.416%0.15544%0.439CS..SBendtrans-116.83.8-171-800000115.3R57 T63 C106R57-C61 WeakPolarHBondContact O-CB 3.48Å; R57-C61 PolarHBondContact O-N 2.61Å; C61-T63 PolarHBondContact O-N 2.72Å; C61-C106 HydrophobicContact CB-CB 3.7Å; C61-C106 WeakPolarHBondContact CB-SG 3.27Å; C61-C106 WeakPolarHBondContact SG-CA 3.31Å; C61-C106 WeakPolarHBondContact SG-CB 3.29Å; C61-C106 CovalentContact SG-SG 2.02Å; C61-C106 PolarHBondContact SG-SG 3.07Å
62T61.6Low57.3Low33 Ų3390.3 Ų90.320%0.20248%0.481CS..SBendtrans-70.6120165.643.80000110.8E58 N64 P100 M102E58-T62 WeakPolarHBondContact O-CB 3.35Å; E58-T62 WeakPolarHBondContact O-CG2 3.46Å; E58-T62 PolarHBondContact O-OG1 2.9Å; T62-N64 PolarHBondContact O-N 3.33Å; T62-P100 HydrophobicContact CG2-CB 3.74Å; T62-P100 HydrophobicContact CG2-CG 4.2Å; T62-M102 HydrophobicContact CG2-CE 3.9Å; T62-M102 HydrophobicContact CG2-SD 3.98Å
63T46.9Very low54.8Low60 Ų6091.7 Ų91.737%0.36849%0.488SS..  trans-74.982.7-170.856.80000112.9C61 S65 I101C61-T63 PolarHBondContact O-N 2.72Å; T63-S65 PolarHBondContact O-N 3.45Å; T63-S65 PolarHBondContact O-OG 3.03Å; T63-I101 WeakPolarHBondContact CG2-O 3.43Å; T63-I101 PolarHBondContact OG1-O 3.05Å
64N35.5Very low52.1Low144 Ų14490.4 Ų90.477%0.7750%0.499SS*.  trans-73.246.8169.6-83-59000112.9T62 A66T62-N64 PolarHBondContact O-N 3.33Å; N64-A66 PolarHBondContact O-N 3Å
65S34.7Very low49.5Very low80 Ų8090.8 Ų90.856%0.55951%0.513SS*.  trans-78.349.1178.247.60000112.7T63 T67T63-S65 PolarHBondContact O-N 3.45Å; T63-S65 PolarHBondContact O-OG 3.03Å; S65-T67 PolarHBondContact O-N 2.95Å
66A34.3Very low47Very low87 Ų8797.3 Ų97.372%0.71955%0.546SS*.THydrogen-bonded Turntrans-7231.6-175.200000114.8N64N64-A66 PolarHBondContact O-N 3Å
67T31.7Very low44.2Very low124 Ų124103.6 Ų103.676%0.76157%0.574SS**THydrogen-bonded Turntrans-127.2-11.6-17246.30000115.2S65S65-T67 PolarHBondContact O-N 2.95Å
68T28.2Very low41.7Very low124 Ų124110.2 Ų110.276%0.76161%0.61SS**SBendtrans-100.3-11174.1-23.80000113.3N70T68-N70 VanDerWaalsContact C-N 3.26Å; T68-N70 PolarHBondContact O-N 2.9Å
69Y33.1Very low39.3Very low170 Ų170116 Ų11667%0.66764%0.64SS**THydrogen-bonded Turntrans-7868.5176.6-123-103000111.3L73Y69-L73 HydrophobicContact CD1-CB 4.45Å; Y69-L73 HydrophobicContact CE1-CB 4.31Å; Y69-L73 HydrophobicContact CE1-CD1 3.84Å; Y69-L73 HydrophobicContact CE1-CD2 3.99Å; Y69-L73 HydrophobicContact CE1-CG 4.25Å
70N28.2Very low36.7Very low135 Ų135117.1 Ų117.172%0.72265%0.653SS**THydrogen-bonded Turntrans-153.83.6176.9-105.1-47.1000116.6T68T68-N70 VanDerWaalsContact C-N 3.26Å; T68-N70 PolarHBondContact O-N 2.9Å
71Q28.4Very low34.4Very low186 Ų186119.3 Ų119.387%0.86967%0.672SS**SBendtrans-131.513.3174.3-73.4-164.5-3300115
72Q29.5Very low32.2Very low186 Ų186123.1 Ų123.187%0.86970%0.7SS**SBendtrans-140.45.9170-135.1170.3-2.800115.2
73L30.4Very low30.7Very low94 Ų94128.4 Ų128.449%0.49273%0.726SS.*  trans-122.184162.6-114.788000109.4Y69 I76Y69-L73 HydrophobicContact CD1-CB 4.45Å; Y69-L73 HydrophobicContact CE1-CB 4.31Å; Y69-L73 HydrophobicContact CE1-CD1 3.84Å; Y69-L73 HydrophobicContact CE1-CD2 3.99Å; Y69-L73 HydrophobicContact CE1-CG 4.25Å; L73-I76 HydrophobicContact CD1-CD1 4.38Å; L73-I76 HydrophobicContact CD2-CD1 4.38Å; L73-I76 HydrophobicContact CG-CD1 4.23Å
74S27.1Very low29.8Very low108 Ų108135 Ų13576%0.75575%0.745SS**SBendtrans-143.228.317367.50000112.5
75S28.9Very low29.4Very low110 Ų110134.5 Ų134.577%0.76974%0.743SS**  trans-162.543.9170.565.20000111.7
76I30.6Very low29Very low139 Ų139137.9 Ų137.971%0.71375%0.754SS**SBendtrans-112.875.9156.6-60179000106.3L73L73-I76 HydrophobicContact CD1-CD1 4.38Å; L73-I76 HydrophobicContact CD2-CD1 4.38Å; L73-I76 HydrophobicContact CG-CD1 4.23Å
77E26.9Very low28.7Very low179 Ų179142.1 Ų142.184%0.83676%0.759SS**  trans-174.3161.2165.2-112.5174.4-156.400106.7
78L30.4Very low28.6Very low157 Ų157144.1 Ų144.182%0.82276%0.76SS**  trans70.2119.4-170.5-51.1169.5000113.6
79L29.7Very low28.6Very low143 Ų143145.5 Ų145.575%0.74976%0.756SS**  cis-142133.4-3.5-98.9165.9000111.1S81L79-S81 PolarHBondContact O-N 2.91Å
80S25.8Very low28.4Very low125 Ų125142 Ų14287%0.87475%0.748SS**  trans-84.595.1170.956.20000111.1
81S26.8Very low28.4Very low98 Ų98144.4 Ų144.469%0.68575%0.752SS**  trans-167.3126.7169.950.90000108.4L79L79-S81 PolarHBondContact O-N 2.91Å
82S27.1Very low28.4Very low104 Ų104142.9 Ų142.973%0.72775%0.745SS**  cis-123.1151.211.658.10000110.2
83L30.1Very low28.3Very low144 Ų144137.9 Ų137.975%0.75472%0.724SS**  50.1120.366.6-55.7166.1000110.4
84Y28.6Very low28.1Very low197 Ų197143.1 Ų143.177%0.77375%0.745SS**  cis-151.5153.341.5-120.3-90.4000113.9
85N26.4Very low28.2Very low134 Ų134146.1 Ų146.172%0.71774%0.74SS**SBendtrans75.5146163.2-66.2-29.1000121.9E87N85-E87 PolarHBondContact O-N 2.86Å
86N27.1Very low28.3Very low151 Ų151150.4 Ų150.481%0.80775%0.745SS**SBendtrans70.9-3.4160.7-67.524.6000122.1Q88N86-Q88 VanDerWaalsContact C-N 3.29Å; N86-Q88 PolarHBondContact O-N 3.01Å
87E28.7Very low28.3Very low177 Ų177148 Ų14883%0.82773%0.732SS**  trans-85.771.1153-72.5-168.8167.600110.6N85N85-E87 PolarHBondContact O-N 2.86Å
88Q28.8Very low28.5Very low165 Ų165146.4 Ų146.477%0.77173%0.729SS**  trans-108.4-0.1178.4-150171.10.300114.7N86N86-Q88 VanDerWaalsContact C-N 3.29Å; N86-Q88 PolarHBondContact O-N 3.01Å
89F27.2Very low28.9Very low154 Ų154143.9 Ų143.968%0.67572%0.715SS**SBendtrans-122.7122.9153.5-67.4-98.5000105.2
90I30.4Very low29.2Very low97 Ų97139.9 Ų139.950%0.49770%0.698SS.*  cis-129.699.317.1-65.9159.1000109.7Q92I90-Q92 HydrophobicContact CG2-CB 4.46Å; I90-Q92 PolarHBondContact O-N 3.32Å; I90-Q92 VanDerWaalsContact O-N 3.09Å
91K27.6Very low30Very low184 Ų184138.7 Ų138.780%0.868%0.681SS**  trans-83.864.7168.3-92-171.9176.1176.30111.7
92Q28.4Very low31Very low155 Ų155136 Ų13672%0.72466%0.658SS**SBendtrans-158.2155.3168.5-106.1147.257.500109.3I90I90-Q92 HydrophobicContact CG2-CB 4.46Å; I90-Q92 PolarHBondContact O-N 3.32Å; I90-Q92 VanDerWaalsContact O-N 3.09Å
93N27.8Very low32.2Very low81 Ų81136.3 Ų136.343%0.43365%0.651SS.*  trans67.843.9168.1-61.6-18.5000118.1W95 P159N93-W95 VanDerWaalsContact CA-CD1 3.45Å; N93-W95 PolarHBondContact O-N 3.21Å; N93-W95 PolarHBondContact OD1-NE1 3.02Å; N93-P159 WeakPolarHBondContact ND2-CG 3.43Å
94H25.9Very low33.6Very low204 Ų204136.3 Ų136.394%0.94465%0.652SS**  trans-65.781.2150.1-83.8-44.5000110.7
95W29.7Very low35.5Very low170 Ų170131.7 Ų131.764%0.64464%0.636SS**  trans-108.584.4169.5-59.694.7000109.9N93 M97 P159N93-W95 VanDerWaalsContact CA-CD1 3.45Å; N93-W95 PolarHBondContact O-N 3.21Å; N93-W95 PolarHBondContact OD1-NE1 3.02Å; W95-M97 HydrophobicContact CB-CG 4.38Å; W95-M97 PolarHBondContact O-N 2.8Å; W95-P159 HydrophobicContact CZ2-CB 4.47Å
96K30.7Very low37.9Very low201 Ų201125.7 Ų125.787%0.87460%0.604SS**  trans-68.284.1155.5-88.4-171.7173.4-179.20107.6N98K96-N98 PolarHBondContact O-N 3.02Å; K96-N98 VanDerWaalsContact O-N 3.11Å
97M30.2Very low40.4Very low88 Ų88120.9 Ų120.943%0.43358%0.577SS.*  trans-68.5107168.4-74.5-170.266.900108.3W95 I99 L158 Y184W95-M97 HydrophobicContact CB-CG 4.38Å; W95-M97 PolarHBondContact O-N 2.8Å; M97-I99 PolarHBondContact O-N 2.89Å; M97-L158 HydrophobicContact CE-CD1 3.61Å; M97-L158 HydrophobicContact SD-CD1 3.49Å; M97-L158 WeakPolarHBondContact SD-CD1 3.29Å; M97-Y184 HydrophobicContact CE-CD2 4.31Å; M97-Y184 HydrophobicContact CE-CG 4.47Å
98N31.4Very low43Very low146 Ų146112.5 Ų112.578%0.78154%0.538SS*.  trans-67.287.3159.7-71.1-10.3000107K96 P100K96-N98 PolarHBondContact O-N 3.02Å; K96-N98 VanDerWaalsContact O-N 3.11Å; N98-P100 WeakPolarHBondContact O-CD 3.36Å
99I38.3Very low45.6Very low104 Ų104109.9 Ų109.953%0.53352%0.522SS..  trans-58123.5168.1-59.8175.3000106.3M97 I101M97-I99 PolarHBondContact O-N 2.89Å; I99-I101 PolarHBondContact O-N 3.42Å
100P35.9Very low48.4Very low58 Ų58102.8 Ų102.838%0.37749%0.49SS..  trans-58.4128.2179.8-25.235.3000110.3T62 N98 M102T62-P100 HydrophobicContact CG2-CB 3.74Å; T62-P100 HydrophobicContact CG2-CG 4.2Å; N98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-M102 VanDerWaalsContact C-N 3.34Å; P100-M102 PolarHBondContact O-N 3.23Å
101I43.1Very low50.9Low100 Ų10099.2 Ų99.251%0.51347%0.474SS..  trans-75.793.3176.1-56.5-179.1000107.6T63 I99 N103 I231T63-I101 WeakPolarHBondContact CG2-O 3.43Å; T63-I101 PolarHBondContact OG1-O 3.05Å; I99-I101 PolarHBondContact O-N 3.42Å; I101-N103 PolarHBondContact O-N 2.94Å; I101-I231 HydrophobicContact CD1-CD1 3.84Å; I101-I231 HydrophobicContact CG1-CD1 3.76Å; I101-I231 HydrophobicContact CG2-CD1 4.13Å
102M48.3Very low53.8Low43 Ų4390.5 Ų90.521%0.21244%0.436CS..  trans-54.7128.6163.2-63.5-77.8-16600108E58 T62 P100E58-M102 HydrophobicContact CG-CE 3.95Å; E58-M102 WeakPolarHBondContact OE1-CE 3.41Å; T62-M102 HydrophobicContact CG2-CE 3.9Å; T62-M102 HydrophobicContact CG2-SD 3.98Å; P100-M102 VanDerWaalsContact C-N 3.34Å; P100-M102 PolarHBondContact O-N 3.23Å
103N50.8Low56.5Low110 Ų11085 Ų8559%0.58841%0.412SS*.  trans-64.6139.4166.1-90.8-30.8000108.7I101 K105I101-N103 PolarHBondContact O-N 2.94Å; N103-K105 CarbonylContact O-C 3.57Å; N103-K105 PolarHBondContact O-N 2.97Å
104N59.9Low59.3Low143 Ų14381.1 Ų81.177%0.76539%0.391SS*.SBendtrans-54.8-7.5177.5-74.315.8000115
105K68.2Low61.9Low101 Ų10172.4 Ų72.444%0.43935%0.352SS..SBendtrans-140.8125.4169.7-82.5171.6150.4-79.90109.2N103 E107 E146N103-K105 CarbonylContact O-C 3.57Å; N103-K105 PolarHBondContact O-N 2.97Å; K105-E107 HydrophobicContact CB-CG 4.09Å; K105-E107 WeakPolarHBondContact CD-OE1 3.21Å; K105-E107 IonicContact NZ-OE1 2.68Å; K105-E107 PolarHBondContact NZ-OE1 3Å; K105-E107 PolarHBondContact O-N 3.25Å; K105-E146 IonicContact NZ-OE1 3.67Å; K105-E146 PolarHBondContact NZ-OE1 2.87Å
106C77.3Confident64.2Low7 Ų766.7 Ų66.75%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-89.784.7169.6-178.30000109.3R57 C61 E146 L147R57-C106 HydrophobicContact CG-CB 3.93Å; C61-C106 HydrophobicContact CB-CB 3.7Å; C61-C106 WeakPolarHBondContact CB-SG 3.27Å; C61-C106 WeakPolarHBondContact SG-CA 3.31Å; C61-C106 WeakPolarHBondContact SG-CB 3.29Å; C61-C106 CovalentContact SG-SG 2.02Å; C61-C106 PolarHBondContact SG-SG 3.07Å; C106-E146 CarbonylContact O-C 3.59Å; C106-E146 WeakPolarHBondContact O-CA 3.44Å; C106-L147 HydrophobicContact CB-CB 4.1Å; C106-L147 PolarHBondContact O-N 2.87Å
107E80.9Confident65.9Low51 Ų5157.8 Ų57.824%0.23830%0.296CS..EExtended strand (participates in β ladder)trans-105.7117.1-176-77.2171.7158.800111.8K105 Y109 I144 E146K105-E107 HydrophobicContact CB-CG 4.09Å; K105-E107 WeakPolarHBondContact CD-OE1 3.21Å; K105-E107 IonicContact NZ-OE1 2.68Å; K105-E107 PolarHBondContact NZ-OE1 3Å; K105-E107 PolarHBondContact O-N 3.25Å; E107-Y109 HydrophobicContact CB-CD2 4.33Å; E107-Y109 HydrophobicContact CB-CE2 3.52Å; E107-Y109 VanDerWaalsContact O-CD2 3.23Å; E107-Y109 WeakPolarHBondContact O-CD2 3.38Å; E107-Y109 VanDerWaalsContact O-CE2 3.31Å; E107-Y109 WeakPolarHBondContact O-CE2 3.34Å; E107-Y109 PolarHBondContact OE2-OH 3.3Å; E107-I144 HydrophobicContact CB-CG2 4.01Å; E107-I144 HydrophobicContact CG-CG2 3.97Å; E107-E146 HydrophobicContact CG-CB 4.21Å
108L82.2Confident67.3Low1 Ų157.6 Ų57.61%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-95.3128.2175.3-54175.5000109.8H36 L39 F40 L55 L60 I145 L147H36-L108 HydrophobicContact CB-CB 4.06Å; H36-L108 HydrophobicContact CB-CD2 4.48Å; H36-L108 VanDerWaalsContact CD2-CD2 3.41Å; H36-L108 WeakPolarHBondContact CD2-CD2 3.38Å; L39-L108 HydrophobicContact CD1-CD1 4.03Å; L39-L108 HydrophobicContact CD1-CD2 4.33Å; F40-L108 HydrophobicContact CE2-CB 4.09Å; F40-L108 HydrophobicContact CE2-CD1 4.11Å; F40-L108 HydrophobicContact CZ-CB 4.33Å; F40-L108 HydrophobicContact CZ-CD1 3.72Å; L55-L108 HydrophobicContact CD1-CD1 4.33Å; L60-L108 HydrophobicContact CD1-CD1 4.42Å; L108-I145 HydrophobicContact CB-CB 4.3Å; L108-I145 PolarHBondContact N-O 2.94Å; L108-I145 PolarHBondContact O-N 3.21Å; L108-L147 HydrophobicContact CD1-CD1 3.62Å; L108-L147 HydrophobicContact CD1-CG 4.15Å; L108-L147 HydrophobicContact CG-CD1 4.2Å
109Y83.2Confident68.4Low110 Ų11055.7 Ų55.743%0.43130%0.295SS..EExtended strand (participates in β ladder)trans-116.8135.5-172.4-66.8-98.1000112.6H36 E107 I143 I144H36-Y109 WeakPolarHBondContact CB-O 3.31Å; H36-Y109 PolarHBondContact N-O 3.37Å; H36-Y109 VanDerWaalsContact N-O 3.11Å; H36-Y109 PolarHBondContact ND1-N 3.13Å; E107-Y109 HydrophobicContact CB-CD2 4.33Å; E107-Y109 HydrophobicContact CB-CE2 3.52Å; E107-Y109 VanDerWaalsContact O-CD2 3.23Å; E107-Y109 WeakPolarHBondContact O-CD2 3.38Å; E107-Y109 VanDerWaalsContact O-CE2 3.31Å; E107-Y109 WeakPolarHBondContact O-CE2 3.34Å; E107-Y109 PolarHBondContact OE2-OH 3.3Å; Y109-I143 WeakPolarHBondContact CA-O 3.5Å; Y109-I144 HydrophobicContact CD1-CB 4.45Å; Y109-I144 HydrophobicContact CD1-CD1 4.33Å; Y109-I144 HydrophobicContact CD1-CG1 3.8Å; Y109-I144 HydrophobicContact CD1-CG2 4.25Å; Y109-I144 HydrophobicContact CE1-CB 4.29Å; Y109-I144 HydrophobicContact CE1-CD1 3.71Å; Y109-I144 HydrophobicContact CE1-CG1 3.64Å; Y109-I144 HydrophobicContact CE1-CG2 3.81Å
110F85.4Confident68.6Low4 Ų459.6 Ų59.62%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-156.6160.716573.8-83.6000112.9K29 D35 F40 V42 I49 V112 I143 I145K29-F110 HydrophobicContact CD-CD2 4.08Å; K29-F110 HydrophobicContact CD-CE2 4.24Å; K29-F110 HydrophobicContact CG-CD2 3.9Å; K29-F110 HydrophobicContact CG-CE2 4.19Å; D35-F110 WeakPolarHBondContact OD1-CA 3.2Å; D35-F110 WeakPolarHBondContact OD1-CB 3.48Å; F40-F110 HydrophobicContact CB-CD1 4.44Å; F40-F110 HydrophobicContact CB-CE1 3.91Å; F40-F110 HydrophobicContact CB-CZ 3.96Å; F40-F110 AromaticContact CD2-CD1 3.57Å; F40-F110 HydrophobicContact CD2-CD1 3.57Å; F40-F110 AromaticContact CD2-CE1 3.53Å; F40-F110 HydrophobicContact CD2-CE1 3.53Å; F40-F110 HydrophobicContact CD2-CG 4.49Å; F40-F110 HydrophobicContact CD2-CZ 4.42Å; F40-F110 HydrophobicContact CE2-CD1 4.17Å; F40-F110 HydrophobicContact CE2-CE1 4.21Å; F40-F110 HydrophobicContact CG-CD1 4.21Å; F40-F110 AromaticContact CG-CE1 3.73Å; F40-F110 HydrophobicContact CG-CE1 3.73Å; F40-F110 HydrophobicContact CG-CZ 4.26Å; V42-F110 HydrophobicContact CG2-CE2 3.71Å; V42-F110 HydrophobicContact CG2-CZ 4.25Å; I49-F110 HydrophobicContact CD1-CZ 4.38Å; I49-F110 HydrophobicContact CG1-CZ 4.38Å; I49-F110 HydrophobicContact CG2-CE1 4.39Å; I49-F110 HydrophobicContact CG2-CZ 3.79Å; F110-V112 HydrophobicContact CD2-CG2 4Å; F110-V112 HydrophobicContact CE2-CG2 3.67Å; F110-I143 HydrophobicContact CD1-CB 4.23Å; F110-I143 HydrophobicContact CD1-CG2 4.25Å; F110-I143 HydrophobicContact CD2-CD1 4.15Å; F110-I143 HydrophobicContact CE1-CB 4.04Å; F110-I143 HydrophobicContact CE1-CD1 4.37Å; F110-I143 HydrophobicContact CE1-CG2 3.67Å; F110-I143 HydrophobicContact CE2-CB 4.49Å; F110-I143 HydrophobicContact CE2-CD1 3.51Å; F110-I143 HydrophobicContact CZ-CB 4.17Å; F110-I143 HydrophobicContact CZ-CD1 3.64Å; F110-I143 HydrophobicContact CZ-CG2 3.94Å; F110-I143 PolarHBondContact N-O 2.85Å; F110-I143 WeakPolarHBondContact O-CA 3.37Å; F110-I143 WeakPolarHBondContact O-CB 3.14Å; F110-I143 PolarHBondContact O-N 2.81Å; F110-I145 HydrophobicContact CE1-CD1 3.89Å
111S84.9Confident68.9Low23 Ų2364.5 Ų64.516%0.16133%0.331CS..EExtended strand (participates in β ladder)trans-118.7150.9-177.4-55.50000113.9L30 F141 D142L30-S111 PolarHBondContact N-O 3.35Å; S111-F141 CarbonylContact C-O 3.54Å; S111-F141 VanDerWaalsContact CA-O 3.31Å; S111-F141 WeakPolarHBondContact CA-O 3.35Å; S111-D142 VanDerWaalsContact CB-OD1 3.3Å; S111-D142 WeakPolarHBondContact CB-OD1 3.33Å; S111-D142 PolarHBondContact OG-OD1 2.68Å
112V86.7Confident68.3Low0 Ų066.3 Ų66.30%034%0.342CS..EExtended strand (participates in β ladder)trans-138.3122.9-179.7-177.70000111.2L14 F27 K29 V42 F110 F141 I143L14-V112 HydrophobicContact CD1-CB 3.91Å; L14-V112 HydrophobicContact CD1-CG1 3.73Å; L14-V112 HydrophobicContact CD1-CG2 3.95Å; F27-V112 HydrophobicContact CB-CG1 4.07Å; F27-V112 HydrophobicContact CD1-CG1 4.27Å; K29-V112 HydrophobicContact CB-CG2 4.31Å; K29-V112 HydrophobicContact CG-CG2 4.24Å; V42-V112 HydrophobicContact CG1-CG1 4.37Å; V42-V112 HydrophobicContact CG2-CG2 3.94Å; F110-V112 HydrophobicContact CD2-CG2 4Å; F110-V112 HydrophobicContact CE2-CG2 3.67Å; V112-F141 HydrophobicContact CB-CB 4.4Å; V112-F141 PolarHBondContact N-O 3.02Å; V112-F141 PolarHBondContact O-N 3.15Å; V112-I143 HydrophobicContact CB-CD1 4.23Å; V112-I143 HydrophobicContact CG2-CD1 3.51Å
113N86.9Confident67.8Low39 Ų3971 Ų7121%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-85.4134.6170.6-77-12.5000110.7I28 L137 I140I28-N113 PolarHBondContact N-O 2.95Å; I28-N113 PolarHBondContact O-N 2.87Å; N113-L137 HydrophobicContact CB-CD1 4.14Å; N113-I140 WeakPolarHBondContact OD1-CG1 3.34Å
114C85.6Confident67.2Low0 Ų069.9 Ų69.90%037%0.367CS..EExtended strand (participates in β ladder)trans-108.6125.5168.8-171.30000111.5I18 F27 V138 A139 F141I18-C114 HydrophobicContact CD1-CB 4Å; I18-C114 WeakPolarHBondContact CD1-SG 3.4Å; F27-C114 HydrophobicContact CD1-CB 3.91Å; F27-C114 HydrophobicContact CE1-CB 3.92Å; C114-V138 PolarHBondContact O-N 2.84Å; C114-A139 PolarHBondContact N-O 2.95Å; C114-F141 HydrophobicContact CB-CD2 4.49Å; C114-F141 HydrophobicContact CB-CE2 3.96Å
115L80.9Confident66.2Low22 Ų2269.8 Ų69.812%0.11537%0.367CS..EExtended strand (participates in β ladder)trans-116.5132.3-175.7-53.3177000110.1L25 H26 I28 T117 N135 L137L25-L115 CarbonylContact C-O 3.55Å; L25-L115 WeakPolarHBondContact CA-O 3.06Å; H26-L115 PolarHBondContact N-O 2.98Å; H26-L115 PolarHBondContact O-N 2.79Å; I28-L115 HydrophobicContact CD1-CD1 3.66Å; I28-L115 HydrophobicContact CG1-CD1 4.39Å; L115-T117 HydrophobicContact CB-CG2 4.16Å; L115-N135 HydrophobicContact CB-CB 4.27Å; L115-N135 HydrophobicContact CD1-CB 4.09Å; L115-N135 HydrophobicContact CD2-CB 4.3Å; L115-N135 HydrophobicContact CG-CB 4.45Å; L115-L137 HydrophobicContact CD2-CB 4.32Å; L115-L137 HydrophobicContact CD2-CD1 3.75Å
116N77.4Confident64.7Low50 Ų5075.4 Ų75.427%0.26739%0.387SS..EExtended strand (participates in β ladder)trans-83.3128.1165175.4-5.2000108.4I22 L25 K136 V138I22-N116 HydrophobicContact CG2-CB 4.02Å; I22-N116 VanDerWaalsContact CG2-ND2 3.34Å; I22-N116 WeakPolarHBondContact CG2-ND2 3.45Å; L25-N116 HydrophobicContact CD2-CB 4.47Å; N116-K136 PolarHBondContact N-O 2.94Å; N116-K136 PolarHBondContact O-N 3.07Å; N116-V138 HydrophobicContact CB-CG2 3.58Å
117T65.6Low62.9Low14 Ų1482.6 Ų82.69%0.08642%0.423CS..EExtended strand (participates in β ladder)trans-125124.7-16965.40000112.3N24 H26 L115 P132N24-T117 WeakPolarHBondContact CB-O 3.37Å; N24-T117 PolarHBondContact ND2-O 3.27Å; N24-T117 PolarHBondContact O-N 3.39Å; N24-T117 PolarHBondContact O-OG1 3.18Å; H26-T117 HydrophobicContact CB-CG2 3.83Å; L115-T117 HydrophobicContact CB-CG2 4.16Å; T117-P132 HydrophobicContact CG2-CB 3.74Å; T117-P132 HydrophobicContact CG2-CG 3.55Å
118T60.6Low60.7Low83 Ų8388.1 Ų88.151%0.50945%0.446SS..PPolyproline II helixtrans-81.2131.2177.551.30000111.6F120T118-F120 PolarHBondContact O-N 2.82Å
119P53.5Low58.3Low106 Ų10698.3 Ų98.369%0.68849%0.486SS*.PPolyproline II helixtrans-82119.8-179.932.9-28.5000109.6N24N24-P119 WeakPolarHBondContact ND2-CD 3.34Å
120F43.3Very low56.3Low187 Ų187101.2 Ų101.282%0.8250%0.501SS*.PPolyproline II helixtrans-89.1119.2-174.2-154.1-83.7000112T118 N122T118-F120 PolarHBondContact O-N 2.82Å; F120-N122 PolarHBondContact O-N 2.77Å
121L42.5Very low54.2Low161 Ų161105.2 Ų105.284%0.84353%0.526SS*.  trans-81.796.2175.1-105.8165.7000110.8I123L121-I123 PolarHBondContact O-N 3.48Å
122N30.5Very low52.1Low138 Ų138106.4 Ų106.474%0.73853%0.533SS*.  trans799.8158.4-177.521.6000118F120F120-N122 PolarHBondContact O-N 2.77Å
123I37.4Very low50.4Low141 Ų141113.7 Ų113.772%0.72357%0.571SS**  trans-133.8124.3141.5-58.6-175.9000108.8L121L121-I123 PolarHBondContact O-N 3.48Å
124S39.3Very low48.5Very low87 Ų87115.3 Ų115.361%0.60859%0.586SS**  trans51.9103.3164.665.90000120.3
125N38.2Very low47.2Very low141 Ų141118.4 Ų118.475%0.75460%0.602SS**  53.8136.9122.6-57.7-11.9000122.1
126Y37.3Very low46.6Very low219 Ų219124.9 Ų124.986%0.85963%0.629SS**  trans59.693.3169.8-62.1-79.1000115
127I38.4Very low46.7Very low158 Ų158126.5 Ų126.581%0.8164%0.637SS**  -160.3159.779.7-94.8160.6000111.6
128K34.7Very low47.4Very low166 Ų166128.2 Ų128.272%0.72265%0.648SS**  trans-61140.8-178.1-82.8-177.7174.2-178.70114.4K130K128-K130 PolarHBondContact O-N 3.23Å
129Y32.5Very low48.5Very low215 Ų215125.6 Ų125.684%0.84363%0.634SS**SBendtrans39.468.1152.7-50-60.4000116.2
130K40.7Very low50Low172 Ų172125 Ų12575%0.74863%0.625SS**  trans-134.3127169.2-102.4-177.1176.7-178.20112.9K128K128-K130 PolarHBondContact O-N 3.23Å
131T41.4Very low52.1Low88 Ų88117.5 Ų117.554%0.5459%0.592SS.*  trans25.8129.1140.4580000118.4L133T131-L133 PolarHBondContact O-N 3.3Å
132P41.3Very low54.2Low48 Ų48115.5 Ų115.531%0.31258%0.582SS.*  trans-53.4137.4154.626-31.3000108.5T117 N135T117-P132 HydrophobicContact CG2-CB 3.74Å; T117-P132 HydrophobicContact CG2-CG 3.55Å; P132-N135 VanDerWaalsContact CB-OD1 3.27Å; P132-N135 WeakPolarHBondContact CB-OD1 3.3Å; P132-N135 WeakPolarHBondContact CG-OD1 3.13Å; P132-N135 PolarHBondContact O-ND2 2.82Å; P132-N135 PolarHBondContact O-OD1 2.96Å
133L50.7Low56.8Low153 Ų153109.9 Ų109.980%0.80155%0.552SS**SBendtrans-120.612.4-160.9-124153.8000113.3T131T131-L133 PolarHBondContact O-N 3.3Å
134S47.2Very low59.1Low73 Ų73107.9 Ų107.951%0.5154%0.541SS..SBendtrans-133.488.9157.4-171.90000106.6
135N57.2Low61.3Low64 Ų64104.4 Ų104.434%0.34252%0.516SS..EExtended strand (participates in β ladder)trans-106.395.1-175.5-64.3-15.1000108.3L115 P132 L137L115-N135 HydrophobicContact CB-CB 4.27Å; L115-N135 HydrophobicContact CD1-CB 4.09Å; L115-N135 HydrophobicContact CD2-CB 4.3Å; L115-N135 HydrophobicContact CG-CB 4.45Å; P132-N135 VanDerWaalsContact CB-OD1 3.27Å; P132-N135 WeakPolarHBondContact CB-OD1 3.3Å; P132-N135 WeakPolarHBondContact CG-OD1 3.13Å; P132-N135 PolarHBondContact O-ND2 2.82Å; P132-N135 PolarHBondContact O-OD1 2.96Å; N135-L137 PolarHBondContact O-N 2.99Å
136K69.8Low63.5Low158 Ų158101 Ų10169%0.68750%0.495SS*.EExtended strand (participates in β ladder)trans-76.6113.2167.1-171.9176.9-179.8-176.10107.2N116 V138N116-K136 PolarHBondContact N-O 2.94Å; N116-K136 PolarHBondContact O-N 3.07Å; K136-V138 PolarHBondContact O-N 2.82Å
137L77.8Confident65.8Low84 Ų8490.9 Ų90.944%0.4446%0.456SS..EExtended strand (participates in β ladder)trans-57.2122.9168.1-175.167.9000108.3N113 L115 N135 A139 I140N113-L137 HydrophobicContact CB-CD1 4.14Å; L115-L137 HydrophobicContact CD2-CB 4.32Å; L115-L137 HydrophobicContact CD2-CD1 3.75Å; N135-L137 PolarHBondContact O-N 2.99Å; L137-A139 WeakPolarHBondContact CD1-O 3.35Å; L137-I140 HydrophobicContact CD1-CG1 4.21Å; L137-I140 HydrophobicContact CD2-CD1 4.16Å; L137-I140 HydrophobicContact CD2-CG1 4Å; L137-I140 HydrophobicContact CG-CG1 4.48Å
138V81.2Confident67.8Low51 Ų5188.7 Ų88.731%0.30944%0.441SS..EExtended strand (participates in β ladder)trans-97.6-45.2-178.61790000110I18 I22 L25 C114 N116 K136I18-V138 HydrophobicContact CG2-CG1 3.83Å; I22-V138 HydrophobicContact CD1-CG1 4.06Å; L25-V138 HydrophobicContact CD2-CB 4.3Å; L25-V138 HydrophobicContact CD2-CG1 4.26Å; L25-V138 HydrophobicContact CD2-CG2 3.8Å; C114-V138 PolarHBondContact O-N 2.84Å; N116-V138 HydrophobicContact CB-CG2 3.58Å; K136-V138 PolarHBondContact O-N 2.82Å
139A83.6Confident70.1Confident27 Ų2781.7 Ų81.722%0.22341%0.411CS..EExtended strand (participates in β ladder)trans-153.4156.5178.200000110C114 L137 F141C114-A139 PolarHBondContact N-O 2.95Å; L137-A139 WeakPolarHBondContact CD1-O 3.35Å; A139-F141 HydrophobicContact CB-CD2 4.38Å; A139-F141 HydrophobicContact CB-CE1 4.36Å; A139-F141 HydrophobicContact CB-CE2 3.76Å; A139-F141 HydrophobicContact CB-CZ 3.75Å
140I85.5Confident72.4Confident94 Ų9473.9 Ų73.948%0.48238%0.383SS..EExtended strand (participates in β ladder)trans-109.9135.1157-53.2-177.6000105.3N113 L137N113-I140 WeakPolarHBondContact OD1-CG1 3.34Å; L137-I140 HydrophobicContact CD1-CG1 4.21Å; L137-I140 HydrophobicContact CD2-CD1 4.16Å; L137-I140 HydrophobicContact CD2-CG1 4Å; L137-I140 HydrophobicContact CG-CG1 4.48Å
141F86.9Confident74.3Confident30 Ų3066.1 Ų66.113%0.13235%0.35CS..EExtended strand (participates in β ladder)trans-112.5112.7172.8-63.1-76000108.7L14 Y17 I18 F27 S111 V112 C114 A139 I143L14-F141 HydrophobicContact CB-CD2 4.42Å; L14-F141 HydrophobicContact CB-CE2 4.36Å; L14-F141 HydrophobicContact CD1-CD2 4.36Å; L14-F141 HydrophobicContact CD2-CB 4.09Å; L14-F141 HydrophobicContact CD2-CD1 4.2Å; L14-F141 HydrophobicContact CD2-CD2 4.27Å; L14-F141 HydrophobicContact CD2-CG 3.93Å; Y17-F141 HydrophobicContact CG-CE1 4.43Å; I18-F141 HydrophobicContact CD1-CE2 4.08Å; I18-F141 HydrophobicContact CD1-CZ 4.1Å; I18-F141 HydrophobicContact CG1-CE2 4.22Å; I18-F141 HydrophobicContact CG1-CZ 3.72Å; F27-F141 AromaticContact CE1-CE2 3.99Å; F27-F141 HydrophobicContact CE1-CE2 3.99Å; S111-F141 CarbonylContact C-O 3.54Å; S111-F141 VanDerWaalsContact CA-O 3.31Å; S111-F141 WeakPolarHBondContact CA-O 3.35Å; V112-F141 HydrophobicContact CB-CB 4.4Å; V112-F141 PolarHBondContact N-O 3.02Å; V112-F141 PolarHBondContact O-N 3.15Å; C114-F141 HydrophobicContact CB-CD2 4.49Å; C114-F141 HydrophobicContact CB-CE2 3.96Å; A139-F141 HydrophobicContact CB-CD2 4.38Å; A139-F141 HydrophobicContact CB-CE1 4.36Å; A139-F141 HydrophobicContact CB-CE2 3.76Å; A139-F141 HydrophobicContact CB-CZ 3.75Å; F141-I143 HydrophobicContact CB-CD1 4.37Å; F141-I143 HydrophobicContact CB-CG1 4.13Å
142D86.5Confident76.2Confident119 Ų11965.8 Ų65.864%0.63635%0.345SS*.EExtended strand (participates in β ladder)trans-90.1122.1164.2-61.4-48.3000107.5S111S111-D142 VanDerWaalsContact CB-OD1 3.3Å; S111-D142 WeakPolarHBondContact CB-OD1 3.33Å; S111-D142 PolarHBondContact OG-OD1 2.68Å
143I85.7Confident78Confident20 Ų2066 Ų6610%0.10334%0.344CS..EExtended strand (participates in β ladder)trans-114.9119.6-166.5-58.5165.3000108.1L14 I49 Y109 F110 V112 F141 I145L14-I143 HydrophobicContact CD1-CD1 3.97Å; L14-I143 HydrophobicContact CD2-CD1 3.86Å; L14-I143 HydrophobicContact CD2-CG1 4.3Å; L14-I143 HydrophobicContact CG-CD1 4.46Å; I49-I143 HydrophobicContact CD1-CD1 3.98Å; I49-I143 HydrophobicContact CD1-CG2 4.22Å; Y109-I143 WeakPolarHBondContact CA-O 3.5Å; F110-I143 HydrophobicContact CD1-CB 4.23Å; F110-I143 HydrophobicContact CD1-CG2 4.25Å; F110-I143 HydrophobicContact CD2-CD1 4.15Å; F110-I143 HydrophobicContact CE1-CB 4.04Å; F110-I143 HydrophobicContact CE1-CD1 4.37Å; F110-I143 HydrophobicContact CE1-CG2 3.67Å; F110-I143 HydrophobicContact CE2-CB 4.49Å; F110-I143 HydrophobicContact CE2-CD1 3.51Å; F110-I143 HydrophobicContact CZ-CB 4.17Å; F110-I143 HydrophobicContact CZ-CD1 3.64Å; F110-I143 HydrophobicContact CZ-CG2 3.94Å; F110-I143 PolarHBondContact N-O 2.85Å; F110-I143 WeakPolarHBondContact O-CA 3.37Å; F110-I143 WeakPolarHBondContact O-CB 3.14Å; F110-I143 PolarHBondContact O-N 2.81Å; V112-I143 HydrophobicContact CB-CD1 4.23Å; V112-I143 HydrophobicContact CG2-CD1 3.51Å; F141-I143 HydrophobicContact CB-CD1 4.37Å; F141-I143 HydrophobicContact CB-CG1 4.13Å; I143-I145 HydrophobicContact CG2-CD1 4.36Å; I143-I145 HydrophobicContact CG2-CG1 4.13Å
144I86.1Confident79.2Confident98 Ų9860.1 Ų60.150%0.50332%0.319SS..EExtended strand (participates in β ladder)trans-111.5122.9177.8-46.8178.7000107.4E107 Y109E107-I144 HydrophobicContact CB-CG2 4.01Å; E107-I144 HydrophobicContact CG-CG2 3.97Å; Y109-I144 HydrophobicContact CD1-CB 4.45Å; Y109-I144 HydrophobicContact CD1-CD1 4.33Å; Y109-I144 HydrophobicContact CD1-CG1 3.8Å; Y109-I144 HydrophobicContact CD1-CG2 4.25Å; Y109-I144 HydrophobicContact CE1-CB 4.29Å; Y109-I144 HydrophobicContact CE1-CD1 3.71Å; Y109-I144 HydrophobicContact CE1-CG1 3.64Å; Y109-I144 HydrophobicContact CE1-CG2 3.81Å
145I84.6Confident80.9Confident14 Ų1457.3 Ų57.37%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-115.997.6177.8-66.9178.4000107.7M1 I11 F40 L108 F110 I143 L147M1-I145 HydrophobicContact CG-CG2 3.87Å; M1-I145 HydrophobicContact SD-CG2 3.33Å; M1-I145 WeakPolarHBondContact SD-CG2 3.44Å; I11-I145 HydrophobicContact CD1-CD1 4.14Å; I11-I145 HydrophobicContact CG2-CD1 4.45Å; F40-I145 HydrophobicContact CD1-CD1 4.07Å; F40-I145 HydrophobicContact CD2-CD1 4.43Å; F40-I145 HydrophobicContact CE1-CD1 3.62Å; F40-I145 HydrophobicContact CE2-CD1 4.02Å; F40-I145 HydrophobicContact CG-CD1 4.46Å; F40-I145 HydrophobicContact CZ-CB 4.43Å; F40-I145 HydrophobicContact CZ-CD1 3.6Å; F40-I145 HydrophobicContact CZ-CG2 4.27Å; L108-I145 HydrophobicContact CB-CB 4.3Å; L108-I145 PolarHBondContact N-O 2.94Å; L108-I145 PolarHBondContact O-N 3.21Å; F110-I145 HydrophobicContact CE1-CD1 3.89Å; I143-I145 HydrophobicContact CG2-CD1 4.36Å; I143-I145 HydrophobicContact CG2-CG1 4.13Å; I145-L147 PolarHBondContact O-N 3.07Å
146E84.8Confident82.2Confident70 Ų7059.3 Ų59.333%0.32731%0.305SS..EExtended strand (participates in β ladder)trans-70.5113.8167.9-178.9-177.8-109.200108.9M1 K105 C106 E107M1-E146 PolarHBondContact N-O 2.8Å; K105-E146 IonicContact NZ-OE1 3.67Å; K105-E146 PolarHBondContact NZ-OE1 2.87Å; C106-E146 CarbonylContact O-C 3.59Å; C106-E146 WeakPolarHBondContact O-CA 3.44Å; E107-E146 HydrophobicContact CG-CB 4.21Å
147L84.8Confident82.9Confident7 Ų752 Ų524%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-77.4142.8165.7-84.5167.4000109.7M1 E3 L55 R57 L60 C106 L108 I145M1-L147 HydrophobicContact CG-CD2 3.77Å; M1-L147 CarbonylContact O-C 3.58Å; M1-L147 WeakPolarHBondContact O-CA 3.48Å; M1-L147 HydrophobicContact SD-CD2 4.44Å; E3-L147 HydrophobicContact CB-CD2 4.08Å; L55-L147 HydrophobicContact CB-CD1 4.38Å; L55-L147 HydrophobicContact CB-CD2 4.16Å; R57-L147 HydrophobicContact CG-CB 4.27Å; L60-L147 HydrophobicContact CD1-CD1 3.86Å; C106-L147 HydrophobicContact CB-CB 4.1Å; C106-L147 PolarHBondContact O-N 2.87Å; L108-L147 HydrophobicContact CD1-CD1 3.62Å; L108-L147 HydrophobicContact CD1-CG 4.15Å; L108-L147 HydrophobicContact CG-CD1 4.2Å; I145-L147 PolarHBondContact O-N 3.07Å
148K81.1Confident83Confident112 Ų11250 Ų5049%0.48726%0.263SS..BIsolated β-bridgetrans-120.2133.3178.5-64.5-165.8173.3-161.10110.2M1 E3M1-K148 PolarHBondContact O-N 2.74Å; E3-K148 PolarHBondContact N-O 2.95Å
149D82.3Confident82.9Confident18 Ų1850.4 Ų50.410%0.09627%0.267CS..  trans-49.2140.6173.1-164.890.5000112.3E3 R57 D188 N193E3-D149 WeakPolarHBondContact OE1-CA 3.4Å; R57-D149 IonicContact CZ-OD1 2.65Å; R57-D149 IonicContact NE-OD1 2.68Å; R57-D149 PolarHBondContact NE-OD1 2.95Å; R57-D149 IonicContact NH1-OD1 3.68Å; R57-D149 PolarHBondContact NH1-OD1 2.75Å; R57-D149 IonicContact NH2-OD1 2.84Å; R57-D149 PolarHBondContact NH2-OD1 2.68Å; D149-D188 HydrophobicContact CB-CB 3.85Å; D149-D188 WeakPolarHBondContact OD1-CB 3.24Å; D149-D188 PolarHBondContact OD1-N 3.33Å; D149-N193 PolarHBondContact OD2-ND2 3.41Å
150I81.3Confident83Confident51 Ų5151.4 Ų51.426%0.26227%0.272SS..  trans-126.9139.5160.8-50163.8000106.5N2 E3 E4 D152N2-I150 HydrophobicContact CB-CD1 4.07Å; N2-I150 HydrophobicContact CB-CG1 4.21Å; E3-I150 HydrophobicContact CG-CB 4.37Å; E3-I150 HydrophobicContact CG-CD1 3.69Å; E3-I150 HydrophobicContact CG-CG1 3.85Å; E3-I150 PolarHBondContact OE1-N 2.97Å; E3-I150 VanDerWaalsContact OE1-N 3.16Å; E4-I150 HydrophobicContact CB-CD1 4.48Å; I150-D152 PolarHBondContact O-N 3.33Å
151N80.1Confident83.1Confident10 Ų1050.9 Ų50.95%0.05327%0.27CS..  trans-65.9100.1165.2178.9-113.1000109.9D187 N193 D260 Y262 H267N151-D187 WeakPolarHBondContact CA-OD2 3.33Å; N151-D187 PolarHBondContact ND2-OD2 2.63Å; N151-N193 HydrophobicContact CB-CB 3.84Å; N151-N193 PolarHBondContact N-ND2 2.96Å; N151-N193 PolarHBondContact ND2-O 2.67Å; N151-D260 PolarHBondContact ND2-OD2 2.67Å; N151-D260 PolarHBondContact OD1-OD2 3Å; N151-Y262 HydrophobicContact CB-CD2 3.76Å; N151-Y262 HydrophobicContact CB-CE2 3.81Å; N151-Y262 WeakPolarHBondContact OD1-CB 2.93Å; N151-Y262 WeakPolarHBondContact OD1-CD2 3.22Å; N151-H267 PolarHBondContact OD1-CE1 3.2Å; N151-H267 PolarHBondContact OD1-ND1 3.48Å
152D81Confident83.2Confident80 Ų8055.6 Ų55.643%0.42829%0.293SS..  trans-129.8-10.3176.997.3-34.5000113.5I150 D187I150-D152 PolarHBondContact O-N 3.33Å; D152-D187 PolarHBondContact N-OD2 2.8Å
153N79.2Confident83.2Confident54 Ų5451.8 Ų51.829%0.28927%0.271SS..  trans-94.3-172.4167.9-58.4-88.3000110.9P186 D187 H267N153-P186 HydrophobicContact CB-CB 4.18Å; N153-P186 HydrophobicContact CB-CG 3.75Å; N153-D187 VanDerWaalsContact CB-OD1 3.26Å; N153-D187 WeakPolarHBondContact CB-OD1 3.43Å; N153-D187 PolarHBondContact N-OD1 3.14Å; N153-D187 PolarHBondContact ND2-OD1 3.32Å; N153-H267 PolarHBondContact O-CE1 2.65Å
154G76.5Confident83.3Confident28 Ų2857 Ų5729%0.28930%0.298SS..  trans-165.1160.1178.300000112.3
155C83.4Confident83.2Confident15 Ų1552.9 Ų52.910%0.10128%0.277CS..  trans-71152.6-16680.30000115.1Y184 D185 V195 H267 C269C155-Y184 WeakPolarHBondContact CA-O 3.39Å; C155-D185 HydrophobicContact CB-CB 4.49Å; C155-V195 HydrophobicContact CB-CG2 3.39Å; C155-H267 PolarHBondContact SG-O 3.4Å; C155-H267 VanDerWaalsContact SG-O 3.41Å; C155-C269 VanDerWaalsContact C-SG 3.58Å; C155-C269 HydrophobicContact CB-CB 4.29Å; C155-C269 WeakPolarHBondContact CB-SG 3.28Å; C155-C269 WeakPolarHBondContact O-CB 3.21Å; C155-C269 WeakPolarHBondContact SG-CB 3.43Å; C155-C269 PolarHBondContact SG-N 2.82Å; C155-C269 CovalentContact SG-SG 2.05Å; C155-C269 PolarHBondContact SG-SG 2.97Å
156K83.4Confident83.3Confident106 Ų10658.7 Ų58.746%0.46130%0.298SS..EExtended strand (participates in β ladder)trans-144.6142.6169.161.7-169169.8-167.30111.1L158 P183 Y184K156-L158 HydrophobicContact CD-CD2 4.15Å; K156-L158 HydrophobicContact CG-CD2 4.09Å; K156-L158 HydrophobicContact CG-CG 4.31Å; K156-P183 CarbonylContact O-C 3.52Å; K156-P183 WeakPolarHBondContact O-CA 3.37Å; K156-Y184 PolarHBondContact N-O 3.37Å; K156-Y184 PolarHBondContact O-N 3.3Å
157F86.2Confident83.1Confident4 Ų455.6 Ų55.62%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-74.5135.5169.4-78.8-76.2000110.4N181 I182 P183 L236 A258 C269 H270 L271F157-N181 HydrophobicContact CB-CB 4.26Å; F157-N181 HydrophobicContact CD1-CB 4.39Å; F157-N181 WeakPolarHBondContact CD1-O 3.42Å; F157-N181 WeakPolarHBondContact CE1-O 3.24Å; F157-I182 CarbonylContact C-O 3.02Å; F157-I182 WeakPolarHBondContact CA-O 3.28Å; F157-P183 HydrophobicContact CD1-CB 4.44Å; F157-P183 HydrophobicContact CE1-CB 4.32Å; F157-P183 HydrophobicContact CE1-CG 4.38Å; F157-L236 HydrophobicContact CE1-CD1 4.03Å; F157-A258 HydrophobicContact CE2-CB 4.22Å; F157-A258 HydrophobicContact CZ-CB 3.86Å; F157-C269 HydrophobicContact CD2-CB 4.12Å; F157-C269 HydrophobicContact CE2-CB 4.37Å; F157-H270 WeakPolarHBondContact CD2-O 3.09Å; F157-L271 HydrophobicContact CD2-CB 4.08Å; F157-L271 HydrophobicContact CE2-CB 4.16Å; F157-L271 HydrophobicContact CG-CB 4.34Å; F157-L271 HydrophobicContact CZ-CB 4.48Å
158L78.5Confident83.1Confident42 Ų4257.8 Ų57.822%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-118.2135.1179.8-66.6-179.1000111.6M97 K156 N181 I182 Y184M97-L158 HydrophobicContact CE-CD1 3.61Å; M97-L158 HydrophobicContact SD-CD1 3.49Å; M97-L158 WeakPolarHBondContact SD-CD1 3.29Å; K156-L158 HydrophobicContact CD-CD2 4.15Å; K156-L158 HydrophobicContact CG-CD2 4.09Å; K156-L158 HydrophobicContact CG-CG 4.31Å; L158-N181 WeakPolarHBondContact O-CA 3.13Å; L158-N181 VanDerWaalsContact O-CB 3.3Å; L158-N181 WeakPolarHBondContact O-CB 3.5Å; L158-I182 PolarHBondContact N-O 2.76Å; L158-I182 PolarHBondContact O-N 2.99Å; L158-Y184 HydrophobicContact CD1-CD1 4.15Å; L158-Y184 HydrophobicContact CD1-CG 3.92Å
159P79.6Confident83.2Confident59 Ų5953.5 Ų53.538%0.38328%0.281SS..SBendcis-88.4-2.22.436-37.5000115.3N93 W95N93-P159 WeakPolarHBondContact ND2-CG 3.43Å; W95-P159 HydrophobicContact CZ2-CB 4.47Å
160S86Confident83.1Confident48 Ų4858.4 Ų58.434%0.33631%0.307SS..  trans-147.9154-168.6176.10000112.6E162 N181S160-E162 PolarHBondContact OG-N 2.81Å; S160-E162 PolarHBondContact OG-O 3.41Å; S160-N181 PolarHBondContact O-ND2 2.9Å
161N87.3Confident82.8Confident84 Ų8456.9 Ų56.945%0.44930%0.302SS..SBendtrans-92.65.4169.4-65.6-1.4000112.6H270 L271 N272N161-H270 WeakPolarHBondContact CB-O 3.08Å; N161-L271 CarbonylContact O-C 3.38Å; N161-L271 WeakPolarHBondContact O-CA 3.46Å; N161-N272 PolarHBondContact O-N 2.86Å
162E88.1Confident82.7Confident128 Ų12860.1 Ų60.160%0.59832%0.324SS*.EExtended strand (participates in β ladder)trans-138.2146.7178.5-53.2-162.1131.600112.5S160 N272S160-E162 PolarHBondContact OG-N 2.81Å; S160-E162 PolarHBondContact OG-O 3.41Å; E162-N272 HydrophobicContact CG-CB 4.22Å; E162-N272 PolarHBondContact OE1-ND2 3.2Å
163Q87.3Confident82.6Confident39 Ų3958.8 Ų58.818%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-147.4130.1-178.5-169.6165.5-6.400110.8I179 L271 N272 V273 T274Q163-I179 PolarHBondContact NE2-O 2.86Å; Q163-L271 HydrophobicContact CB-CD1 4.43Å; Q163-N272 PolarHBondContact N-O 3.29Å; Q163-V273 WeakPolarHBondContact O-CA 3.46Å; Q163-T274 PolarHBondContact O-N 3.31Å
164I87.3Confident82.4Confident131 Ų13160 Ų6067%0.67233%0.325SS*.EExtended strand (participates in β ladder)trans-113.7141.2176.9-60.6178000109.6
165I85.1Confident82.4Confident10 Ų1064.8 Ų64.85%0.05134%0.344CS..  trans-125.7146.8-178.7-52.2176.4000107.8I167 F178 V273 T274 I275I165-I167 HydrophobicContact CG2-CD1 3.94Å; I165-I167 HydrophobicContact CG2-CG1 3.71Å; I165-F178 HydrophobicContact CD1-CB 4.4Å; I165-F178 HydrophobicContact CD1-CD1 4.24Å; I165-F178 HydrophobicContact CD1-CD2 3.75Å; I165-F178 HydrophobicContact CD1-CE1 4.47Å; I165-F178 HydrophobicContact CD1-CE2 3.99Å; I165-F178 HydrophobicContact CD1-CG 3.87Å; I165-F178 HydrophobicContact CD1-CZ 4.34Å; I165-F178 HydrophobicContact CG2-CD1 4.29Å; I165-F178 HydrophobicContact CG2-CE1 3.56Å; I165-F178 HydrophobicContact CG2-CE2 3.85Å; I165-F178 HydrophobicContact CG2-CZ 3.28Å; I165-V273 HydrophobicContact CD1-CG1 3.7Å; I165-V273 HydrophobicContact CG1-CG1 4.3Å; I165-T274 PolarHBondContact N-O 3.1Å; I165-I275 HydrophobicContact CB-CG1 4.08Å; I165-I275 HydrophobicContact CG2-CG1 4.48Å; I165-I275 WeakPolarHBondContact O-CA 3.28Å
166R86.3Confident82.1Confident136 Ų13665.4 Ų65.451%0.51335%0.347SS..  trans-116.5135.2169.8-81-179.8162.2-114.9-5.7108.6L276 E278R166-L276 HydrophobicContact CG-CB 4.43Å; R166-L276 HydrophobicContact CG-CD1 4.49Å; R166-E278 IonicContact CZ-OE1 2.88Å; R166-E278 VanDerWaalsContact NH1-CD 3.32Å; R166-E278 IonicContact NH1-OE1 3.76Å; R166-E278 PolarHBondContact NH1-OE1 2.98Å; R166-E278 IonicContact NH1-OE2 2.67Å; R166-E278 PolarHBondContact NH1-OE2 3.36Å
167I81.3Confident82Confident6 Ų664.8 Ų64.83%0.03134%0.342CS..  trans-141.694.6-170.8-53.8-166.7000107.7I165 A171 F178 F218 L244 I275 L276I165-I167 HydrophobicContact CG2-CD1 3.94Å; I165-I167 HydrophobicContact CG2-CG1 3.71Å; I167-A171 HydrophobicContact CG2-CB 3.24Å; I167-F178 HydrophobicContact CD1-CE2 4.43Å; I167-F178 HydrophobicContact CD1-CZ 4.47Å; I167-F218 HydrophobicContact CD1-CZ 4.26Å; I167-L244 HydrophobicContact CB-CD1 4.15Å; I167-L244 HydrophobicContact CG2-CD1 3.64Å; I167-I275 HydrophobicContact CB-CG2 3.92Å; I167-I275 HydrophobicContact CD1-CB 4.34Å; I167-I275 HydrophobicContact CD1-CD1 3.85Å; I167-I275 HydrophobicContact CD1-CG1 3.66Å; I167-I275 HydrophobicContact CD1-CG2 3.75Å; I167-I275 HydrophobicContact CG1-CG1 4.18Å; I167-I275 HydrophobicContact CG1-CG2 3.83Å; I167-L276 CarbonylContact C-O 3.5Å; I167-L276 VanDerWaalsContact C-O 3.23Å; I167-L276 PolarHBondContact N-O 2.89Å; I167-L276 CarbonylContact O-C 3.6Å
168S82.9Confident81.9Confident52 Ų5265.6 Ų65.636%0.36435%0.345SS..  trans-53156.9167.6176.50000110.7D170 A171S168-D170 WeakPolarHBondContact CB-OD1 3.33Å; S168-D170 PolarHBondContact O-N 2.83Å; S168-D170 PolarHBondContact OG-OD1 3.33Å; S168-A171 WeakPolarHBondContact O-CB 3.28Å; S168-A171 PolarHBondContact O-N 3.41Å
169E84.4Confident82.1Confident23 Ų2369 Ų6911%0.10736%0.363CS..THydrogen-bonded Turntrans-63.2-16.8-170.963.4176.213200114.7K243 D245 Y246 V277 C280E169-K243 WeakPolarHBondContact O-CE 3.37Å; E169-K243 PolarHBondContact O-NZ 2.69Å; E169-D245 WeakPolarHBondContact OE2-CA 3.5Å; E169-Y246 WeakPolarHBondContact OE1-CB 3.43Å; E169-Y246 PolarHBondContact OE2-N 2.79Å; E169-V277 HydrophobicContact CB-CG1 3.74Å; E169-C280 PolarHBondContact OE1-SG 2.95Å; E169-C280 VanDerWaalsContact OE1-SG 3.33Å
170D79.8Confident82.5Confident120 Ų12066.4 Ų66.464%0.64235%0.346SS*.THydrogen-bonded Turntrans-93.53.5-177.166-33.7000114.9S168S168-D170 WeakPolarHBondContact CB-OD1 3.33Å; S168-D170 PolarHBondContact O-N 2.83Å; S168-D170 PolarHBondContact OG-OD1 3.33Å
171A75.5Confident82.5Confident19 Ų1964.8 Ų64.816%0.15733%0.333CS..PPolyproline II helixtrans-65.4140.9-17000000115.8I167 S168I167-A171 HydrophobicContact CG2-CB 3.24Å; S168-A171 WeakPolarHBondContact O-CB 3.28Å; S168-A171 PolarHBondContact O-N 3.41Å
172P77.8Confident82.2Confident79 Ų7964.1 Ų64.151%0.51333%0.329SS..PPolyproline II helixtrans-85.8127.1-165.730.2-33.4000116T176P172-T176 WeakPolarHBondContact CD-OG1 3.41Å; P172-T176 WeakPolarHBondContact CG-OG1 3.4Å; P172-T176 VanDerWaalsContact O-CB 3.3Å; P172-T176 WeakPolarHBondContact O-CB 3.09Å; P172-T176 PolarHBondContact O-N 3.49Å; P172-T176 PolarHBondContact O-OG1 3.38Å
173V78.5Confident82.1Confident51 Ų5159.4 Ų59.431%0.30931%0.309SS..THydrogen-bonded Turntrans-68.2147.8179.5163.60000113.4D175 I241 K243V173-D175 PolarHBondContact O-N 2.95Å; V173-I241 WeakPolarHBondContact CG1-O 3.26Å; V173-K243 HydrophobicContact CG2-CB 4.43Å
174N76.2Confident81.8Confident80 Ų8060.3 Ų60.343%0.42831%0.312SS..THydrogen-bonded Turntrans63.2-27.4-176.1-57.9-25.2000116.3L240 I241N174-L240 WeakPolarHBondContact CA-O 3.48Å; N174-L240 PolarHBondContact N-O 2.91Å; N174-I241 WeakPolarHBondContact OD1-CG2 3.48Å
175D74.5Confident81.6Confident129 Ų12954.5 Ų54.569%0.6928%0.282SS*.THydrogen-bonded Turntrans-100.5-24.5-176.1-66.9-33.2000113.8V173 R177V173-D175 PolarHBondContact O-N 2.95Å; D175-R177 VanDerWaalsContact C-N 3.31Å; D175-R177 PolarHBondContact O-N 3.06Å
176T78.8Confident81.2Confident28 Ų2855.4 Ų55.417%0.17229%0.288CS..  trans-70.291.6174.4-550000109.8P172 F178 L240P172-T176 WeakPolarHBondContact CD-OG1 3.41Å; P172-T176 WeakPolarHBondContact CG-OG1 3.4Å; P172-T176 VanDerWaalsContact O-CB 3.3Å; P172-T176 WeakPolarHBondContact O-CB 3.09Å; P172-T176 PolarHBondContact O-N 3.49Å; P172-T176 PolarHBondContact O-OG1 3.38Å; T176-F178 HydrophobicContact CG2-CD2 4.41Å; T176-F178 HydrophobicContact CG2-CE1 4.07Å; T176-F178 HydrophobicContact CG2-CE2 3.47Å; T176-F178 VanDerWaalsContact CG2-CE2 3.47Å; T176-F178 HydrophobicContact CG2-CZ 3.26Å; T176-L240 WeakPolarHBondContact O-CB 3.18Å; T176-L240 PolarHBondContact O-N 3.44Å
177R81.1Confident80.9Confident93 Ų9349.2 Ų49.235%0.35127%0.265SS..EExtended strand (participates in β ladder)trans-101.2140.8178-69.7170.5-173.6-89.3-14.1111.6D175 E237 L238 E239D175-R177 VanDerWaalsContact C-N 3.31Å; D175-R177 PolarHBondContact O-N 3.06Å; R177-E237 HydrophobicContact CB-CG 4.15Å; R177-E237 WeakPolarHBondContact CD-OE2 3.32Å; R177-E237 HydrophobicContact CG-CG 4.46Å; R177-E237 IonicContact CZ-OE2 2.88Å; R177-E237 IonicContact NE-OE2 2.65Å; R177-E237 IonicContact NH1-OE2 2.55Å; R177-E237 PolarHBondContact NH1-OE2 2.72Å; R177-L238 CarbonylContact C-O 3.44Å; R177-L238 WeakPolarHBondContact CA-O 3.3Å; R177-E239 HydrophobicContact CG-CB 4.39Å; R177-E239 IonicContact CZ-OE1 3.23Å; R177-E239 VanDerWaalsContact NH2-CD 3.31Å; R177-E239 IonicContact NH2-OE1 2.76Å; R177-E239 PolarHBondContact NH2-OE1 2.6Å
178F84.5Confident80.6Confident20 Ų2050.5 Ų50.59%0.08827%0.272CS..EExtended strand (participates in β ladder)trans-124119.6177.4-59-74000109.4I165 I167 T176 L180 L238I165-F178 HydrophobicContact CD1-CB 4.4Å; I165-F178 HydrophobicContact CD1-CD1 4.24Å; I165-F178 HydrophobicContact CD1-CD2 3.75Å; I165-F178 HydrophobicContact CD1-CE1 4.47Å; I165-F178 HydrophobicContact CD1-CE2 3.99Å; I165-F178 HydrophobicContact CD1-CG 3.87Å; I165-F178 HydrophobicContact CD1-CZ 4.34Å; I165-F178 HydrophobicContact CG2-CD1 4.29Å; I165-F178 HydrophobicContact CG2-CE1 3.56Å; I165-F178 HydrophobicContact CG2-CE2 3.85Å; I165-F178 HydrophobicContact CG2-CZ 3.28Å; I167-F178 HydrophobicContact CD1-CE2 4.43Å; I167-F178 HydrophobicContact CD1-CZ 4.47Å; T176-F178 HydrophobicContact CG2-CD2 4.41Å; T176-F178 HydrophobicContact CG2-CE1 4.07Å; T176-F178 HydrophobicContact CG2-CE2 3.47Å; T176-F178 VanDerWaalsContact CG2-CE2 3.47Å; T176-F178 HydrophobicContact CG2-CZ 3.26Å; F178-L180 PolarHBondContact O-N 3.03Å; F178-L238 HydrophobicContact CD2-CD2 4.44Å; F178-L238 PolarHBondContact N-O 3.46Å; F178-L238 PolarHBondContact O-N 2.05Å
179I82.8Confident80.1Confident113 Ų11353.5 Ų53.558%0.57929%0.288SS*.EExtended strand (participates in β ladder)trans-62.5130.7168.4-61.4175.6000107.7Q163Q163-I179 PolarHBondContact NE2-O 2.86Å
180L87.2Confident79.4Confident6 Ų658.5 Ų58.53%0.03132%0.315CS..PPolyproline II helixtrans-96.3156.9177.3-65.1170.9000110.2F178 L220 L236 L238 I256 L271F178-L180 PolarHBondContact O-N 3.03Å; L180-L220 HydrophobicContact CD1-CD1 3.37Å; L180-L236 HydrophobicContact CB-CB 4.19Å; L180-L236 PolarHBondContact N-O 3.41Å; L180-L238 HydrophobicContact CD1-CB 4.04Å; L180-L238 HydrophobicContact CD1-CD1 4.5Å; L180-L238 HydrophobicContact CD2-CB 4.13Å; L180-L238 HydrophobicContact CG-CB 4.08Å; L180-I256 HydrophobicContact CD1-CD1 3.45Å; L180-I256 VanDerWaalsContact CD1-CD1 3.45Å; L180-I256 HydrophobicContact CD2-CD1 4.11Å; L180-I256 HydrophobicContact CG-CD1 4.42Å; L180-L271 HydrophobicContact CB-CD2 4.18Å; L180-L271 HydrophobicContact CD2-CD2 4.11Å
181N86.3Confident78.9Confident13 Ų1356.2 Ų56.27%0.0731%0.308CS..PPolyproline II helixtrans-59.5145.3168.8-60.8-21.9000109.4F157 L158 S160 L271F157-N181 HydrophobicContact CB-CB 4.26Å; F157-N181 HydrophobicContact CD1-CB 4.39Å; F157-N181 WeakPolarHBondContact CD1-O 3.42Å; F157-N181 WeakPolarHBondContact CE1-O 3.24Å; L158-N181 WeakPolarHBondContact O-CA 3.13Å; L158-N181 VanDerWaalsContact O-CB 3.3Å; L158-N181 WeakPolarHBondContact O-CB 3.5Å; S160-N181 PolarHBondContact O-ND2 2.9Å; N181-L271 HydrophobicContact CB-CD1 4.39Å; N181-L271 HydrophobicContact CB-CD2 4.22Å
182I81Confident78.8Confident71 Ų7156.4 Ų56.436%0.36431%0.312SS..EExtended strand (participates in β ladder)trans-106.2142.3-173.925.5173000111.5F157 L158 L236F157-I182 CarbonylContact C-O 3.02Å; F157-I182 WeakPolarHBondContact CA-O 3.28Å; L158-I182 PolarHBondContact N-O 2.76Å; L158-I182 PolarHBondContact O-N 2.99Å; I182-L236 HydrophobicContact CG2-CB 4.41Å; I182-L236 HydrophobicContact CG2-CD1 4.43Å; I182-L236 HydrophobicContact CG2-CG 4.27Å
183P85.5Confident78.8Confident28 Ų2854.4 Ų54.418%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-73.1139.6174.731.4-33.2000110.6K156 F157 V195 I200 A258K156-P183 CarbonylContact O-C 3.52Å; K156-P183 WeakPolarHBondContact O-CA 3.37Å; F157-P183 HydrophobicContact CD1-CB 4.44Å; F157-P183 HydrophobicContact CE1-CB 4.32Å; F157-P183 HydrophobicContact CE1-CG 4.38Å; P183-V195 HydrophobicContact CB-CG1 4.31Å; P183-V195 HydrophobicContact CG-CG1 4.09Å; P183-I200 HydrophobicContact CG-CD1 3.91Å; P183-A258 HydrophobicContact CB-CB 4.1Å; P183-A258 HydrophobicContact CG-CB 4.23Å
184Y80.4Confident78.8Confident59 Ų5952.7 Ų52.723%0.23129%0.287CS..EExtended strand (participates in β ladder)trans-130.9143.9173.4170.3-92.1000110.1M97 C155 K156 L158 P186M97-Y184 HydrophobicContact CE-CD2 4.31Å; M97-Y184 HydrophobicContact CE-CG 4.47Å; C155-Y184 WeakPolarHBondContact CA-O 3.39Å; K156-Y184 PolarHBondContact N-O 3.37Å; K156-Y184 PolarHBondContact O-N 3.3Å; L158-Y184 HydrophobicContact CD1-CD1 4.15Å; L158-Y184 HydrophobicContact CD1-CG 3.92Å; Y184-P186 HydrophobicContact CE1-CG 4.04Å
185D83.1Confident78.8Confident9 Ų950.3 Ų50.35%0.04828%0.276CS..  trans-149.5123.8-172.5-173.7-11000108.6C155 D187 S194 V195C155-D185 HydrophobicContact CB-CB 4.49Å; D185-D187 PolarHBondContact O-N 2.88Å; D185-D187 PolarHBondContact OD1-N 2.84Å; D185-S194 PolarHBondContact O-OG 3.39Å; D185-S194 WeakPolarHBondContact OD2-CA 3.34Å; D185-V195 HydrophobicContact CB-CB 4.45Å; D185-V195 HydrophobicContact CB-CG2 3.9Å; D185-V195 PolarHBondContact OD2-N 3.36Å
186P77.5Confident78.7Confident29 Ų2947.3 Ų47.319%0.18826%0.257CS..  trans-66.4-25.7-176.5-22.233.5000116.7E58 N153 Y184E58-P186 HydrophobicContact CG-CB 4.08Å; N153-P186 HydrophobicContact CB-CB 4.18Å; N153-P186 HydrophobicContact CB-CG 3.75Å; Y184-P186 HydrophobicContact CE1-CG 4.04Å
187D80.1Confident78.4Confident5 Ų548.7 Ų48.73%0.02726%0.263CS..SBendtrans-69.2167.2-166-62.4-13000113.2N151 D152 N153 D185 V189 N193 S194N151-D187 WeakPolarHBondContact CA-OD2 3.33Å; N151-D187 PolarHBondContact ND2-OD2 2.63Å; D152-D187 PolarHBondContact N-OD2 2.8Å; N153-D187 VanDerWaalsContact CB-OD1 3.26Å; N153-D187 WeakPolarHBondContact CB-OD1 3.43Å; N153-D187 PolarHBondContact N-OD1 3.14Å; N153-D187 PolarHBondContact ND2-OD1 3.32Å; D185-D187 PolarHBondContact O-N 2.88Å; D185-D187 PolarHBondContact OD1-N 2.84Å; D187-V189 PolarHBondContact O-N 2.82Å; D187-N193 HydrophobicContact CB-CB 3.82Å; D187-S194 WeakPolarHBondContact O-CB 3.23Å
188D74.4Confident78.2Confident33 Ų3350.8 Ų50.818%0.17628%0.281CS..  trans-69.5119.9-175.1-177.627.9000113.8D149 L190 S191 G192 N193D149-D188 HydrophobicContact CB-CB 3.85Å; D149-D188 WeakPolarHBondContact OD1-CB 3.24Å; D149-D188 PolarHBondContact OD1-N 3.33Å; D188-L190 VanDerWaalsContact C-N 3.28Å; D188-L190 VanDerWaalsContact CG-N 3.33Å; D188-L190 PolarHBondContact O-N 2.87Å; D188-L190 WeakPolarHBondContact OD1-CB 3.5Å; D188-L190 PolarHBondContact OD1-N 2.86Å; D188-S191 WeakPolarHBondContact CB-OG 3.31Å; D188-S191 WeakPolarHBondContact OD2-CB 3.45Å; D188-S191 PolarHBondContact OD2-N 3.4Å; D188-S191 PolarHBondContact OD2-OG 2.84Å; D188-G192 PolarHBondContact O-N 2.82Å; D188-N193 PolarHBondContact O-N 3.06Å
189V73Confident78Confident115 Ų11554.2 Ų54.270%0.69729%0.293SS*.THydrogen-bonded Turntrans-63.3-31.5171.5-172.40000111.9D187D187-V189 PolarHBondContact O-N 2.82Å
190L70.4Confident77.9Confident128 Ų12850.2 Ų50.267%0.6727%0.273SS*.THydrogen-bonded Turntrans-80.6-41-175-74.8169.6000114D188D188-L190 VanDerWaalsContact C-N 3.28Å; D188-L190 VanDerWaalsContact CG-N 3.33Å; D188-L190 PolarHBondContact O-N 2.87Å; D188-L190 WeakPolarHBondContact OD1-CB 3.5Å; D188-L190 PolarHBondContact OD1-N 2.86Å
191S68.1Low77.8Confident72 Ų7254.7 Ų54.750%0.50329%0.289SS..THydrogen-bonded Turntrans-79.8-9168.346.50000113D188D188-S191 WeakPolarHBondContact CB-OG 3.31Å; D188-S191 WeakPolarHBondContact OD2-CB 3.45Å; D188-S191 PolarHBondContact OD2-N 3.4Å; D188-S191 PolarHBondContact OD2-OG 2.84Å
192G73.8Confident77.8Confident23 Ų2355.1 Ų55.124%0.23729%0.291CS..THydrogen-bonded Turntrans92.326.4158.800000114.3D188 K196D188-G192 PolarHBondContact O-N 2.82Å; G192-K196 WeakPolarHBondContact O-CE 3.3Å; G192-K196 PolarHBondContact O-NZ 2.88Å
193N77.5Confident77.8Confident37 Ų3753.1 Ų53.120%0.19828%0.281CS..  trans-90.3-22-178.3-72.9-19.8000112.9D149 N151 D187 D188D149-N193 PolarHBondContact OD2-ND2 3.41Å; N151-N193 HydrophobicContact CB-CB 3.84Å; N151-N193 PolarHBondContact N-ND2 2.96Å; N151-N193 PolarHBondContact ND2-O 2.67Å; D187-N193 HydrophobicContact CB-CB 3.82Å; D188-N193 PolarHBondContact O-N 3.06Å
194S77.8Confident77.1Confident15 Ų1555 Ų5511%0.10529%0.292CS..SBendtrans-79.6156.1177.7-160.40000114.9D185 D187 K196D185-S194 PolarHBondContact O-OG 3.39Å; D185-S194 WeakPolarHBondContact OD2-CA 3.34Å; D187-S194 WeakPolarHBondContact O-CB 3.23Å; S194-K196 WeakPolarHBondContact O-CG 3.34Å
195V77.7Confident76.1Confident30 Ų3059 Ų5918%0.18232%0.318CS..  trans-45.5136.4176.5174.80000115.1C155 P183 D185 D260C155-V195 HydrophobicContact CB-CG2 3.39Å; P183-V195 HydrophobicContact CB-CG1 4.31Å; P183-V195 HydrophobicContact CG-CG1 4.09Å; D185-V195 HydrophobicContact CB-CB 4.45Å; D185-V195 HydrophobicContact CB-CG2 3.9Å; D185-V195 PolarHBondContact OD2-N 3.36Å; V195-D260 HydrophobicContact CG2-CB 4.2Å
196K72.3Confident74.7Confident67 Ų6759.8 Ų59.829%0.29132%0.324SS..  trans-114.8138.3-175.5-55.2-177.4-17586.20111.6G192 S194 D198 R199 D260G192-K196 WeakPolarHBondContact O-CE 3.3Å; G192-K196 PolarHBondContact O-NZ 2.88Å; S194-K196 WeakPolarHBondContact O-CG 3.34Å; K196-D198 WeakPolarHBondContact CB-OD1 3.4Å; K196-D198 PolarHBondContact O-N 2.84Å; K196-D198 VanDerWaalsContact O-N 3.13Å; K196-R199 PolarHBondContact O-N 3.31Å; K196-D260 PolarHBondContact NZ-O 2.93Å
197L72.8Confident73.4Confident57 Ų5764.7 Ų64.730%0.29836%0.359SS..THydrogen-bonded Turntrans-59.5-24.3-174.9-90168000114.3R199 N234L197-R199 PolarHBondContact O-N 2.86Å; L197-N234 HydrophobicContact CD1-CB 4.23Å; L197-N234 HydrophobicContact CD2-CB 4.32Å; L197-N234 HydrophobicContact CG-CB 4.49Å
198D75.5Confident72.1Confident137 Ų13767.5 Ų67.573%0.73338%0.376SS*.THydrogen-bonded Turntrans-81.33.117863-38.6000113.8K196K196-D198 WeakPolarHBondContact CB-OD1 3.4Å; K196-D198 PolarHBondContact O-N 2.84Å; K196-D198 VanDerWaalsContact O-N 3.13Å
199R80.2Confident70.9Confident91 Ų9172.8 Ų72.834%0.34341%0.41SS..SBendtrans-121.144.4-178.2-57.3-165.6176.3-159.11.2114.1K196 L197 W201 A258 D259 G261K196-R199 PolarHBondContact O-N 3.31Å; L197-R199 PolarHBondContact O-N 2.86Å; R199-W201 WeakPolarHBondContact O-CZ3 3.4Å; R199-A258 WeakPolarHBondContact O-CA 3.41Å; R199-D259 HydrophobicContact CB-CB 4.15Å; R199-D259 WeakPolarHBondContact CD-OD1 3.37Å; R199-D259 IonicContact CZ-OD1 2.73Å; R199-D259 IonicContact NE-OD1 3.51Å; R199-D259 IonicContact NH1-OD1 2.78Å; R199-D259 PolarHBondContact NH1-OD1 3.25Å; R199-D259 PolarHBondContact O-N 2.85Å; R199-G261 VanDerWaalsContact NH1-CA 3.35Å
200I82.2Confident70.2Confident29 Ų2969 Ų6915%0.14939%0.387CS..EExtended strand (participates in β ladder)trans-134.9127.7-179.9-49.8177.4000110.3P183 L236 I257 A258P183-I200 HydrophobicContact CG-CD1 3.91Å; I200-L236 HydrophobicContact CD1-CD1 4.27Å; I200-L236 HydrophobicContact CD1-CD2 4.03Å; I200-L236 HydrophobicContact CG2-CD1 3.99Å; I200-L236 HydrophobicContact CG2-CD2 3.95Å; I200-I257 WeakPolarHBondContact CA-O 3.3Å; I200-I257 WeakPolarHBondContact CG2-O 3.42Å; I200-A258 HydrophobicContact CG1-CB 3.98Å; I200-A258 HydrophobicContact CG2-CB 4.38Å
201W85.1Confident69.5Low101 Ų10163.5 Ų63.538%0.38336%0.359SS..EExtended strand (participates in β ladder)trans-154.7161.2-17566.3100.6000115.2R199 I256 I257 D259R199-W201 WeakPolarHBondContact O-CZ3 3.4Å; W201-I256 WeakPolarHBondContact O-CG2 3.43Å; W201-I257 HydrophobicContact CD2-CB 4.39Å; W201-I257 HydrophobicContact CH2-CG2 3.92Å; W201-I257 HydrophobicContact CZ2-CB 4.12Å; W201-I257 HydrophobicContact CZ2-CD1 4.31Å; W201-I257 HydrophobicContact CZ2-CG2 3.76Å; W201-I257 PolarHBondContact N-O 3.23Å; W201-I257 PolarHBondContact O-N 3.25Å; W201-D259 HydrophobicContact CH2-CB 4.41Å; W201-D259 HydrophobicContact CZ3-CB 4.39Å
202I84.7Confident68.7Low21 Ų2168.2 Ų68.211%0.10837%0.373CS..EExtended strand (participates in β ladder)trans-74.7135.6170.4-58.3-177.5000109.4T204 L220 L238 Q255 I256I202-T204 PolarHBondContact O-N 2.84Å; I202-L220 HydrophobicContact CD1-CB 3.89Å; I202-L220 HydrophobicContact CG1-CB 3.85Å; I202-L220 HydrophobicContact CG1-CD2 3.81Å; I202-L220 HydrophobicContact CG1-CG 4.43Å; I202-L238 HydrophobicContact CD1-CD1 4.41Å; I202-Q255 WeakPolarHBondContact CG2-O 3.36Å; I202-I256 HydrophobicContact CG1-CG1 4.37Å
203N81.2Confident68.4Low29 Ų2969.1 Ų69.116%0.15538%0.376CS..  trans-73.997.2-179.9-173.84.6000112.7D205 S206 Q255 I257N203-D205 VanDerWaalsContact C-N 3.3Å; N203-D205 PolarHBondContact O-N 2.98Å; N203-D205 PolarHBondContact OD1-N 3.19Å; N203-D205 VanDerWaalsContact OD1-N 3.09Å; N203-S206 PolarHBondContact O-OG 2.89Å; N203-Q255 HydrophobicContact CB-CB 4.08Å; N203-Q255 PolarHBondContact N-O 3.43Å; N203-Q255 PolarHBondContact ND2-OE1 3.49Å; N203-I257 HydrophobicContact CB-CD1 3.99Å; N203-I257 HydrophobicContact CB-CG1 4.13Å
204T70.9Confident68.5Low68 Ų6867.6 Ų67.642%0.41737%0.367SS..THydrogen-bonded Turntrans-70.9-20.217646.80000114.5I202 S206I202-T204 PolarHBondContact O-N 2.84Å; T204-S206 VanDerWaalsContact C-N 3.3Å; T204-S206 PolarHBondContact O-N 2.91Å
205D60.4Low68.1Low144 Ų14472 Ų7277%0.7739%0.386SS*.THydrogen-bonded Turntrans-95.48.8-164.5-64.311.6000112N203N203-D205 VanDerWaalsContact C-N 3.3Å; N203-D205 PolarHBondContact O-N 2.98Å; N203-D205 PolarHBondContact OD1-N 3.19Å; N203-D205 VanDerWaalsContact OD1-N 3.09Å
206S52.6Low68.3Low25 Ų2574.6 Ų74.618%0.17540%0.399CS..  trans-75.4127.6175550000111.6N203 T204 T208 S211N203-S206 PolarHBondContact O-OG 2.89Å; T204-S206 VanDerWaalsContact C-N 3.3Å; T204-S206 PolarHBondContact O-N 2.91Å; S206-T208 PolarHBondContact O-N 3.45Å; S206-S211 WeakPolarHBondContact O-CB 3.45Å; S206-S211 PolarHBondContact O-OG 2.86Å; S206-S211 VanDerWaalsContact OG-CB 3.3Å; S206-S211 WeakPolarHBondContact OG-CB 3.43Å
207S51.2Low68.8Low132 Ų13273.8 Ų73.892%0.92340%0.395SS*.  trans-75.917.1-175.357.10000115.1
208T51.8Low69.4Low64 Ų6471.4 Ų71.439%0.39338%0.382SS..  trans-81.8129.417444.50000109.9S206 T210 S211S206-T208 PolarHBondContact O-N 3.45Å; T208-T210 PolarHBondContact O-N 3.44Å; T208-S211 WeakPolarHBondContact O-CB 3.48Å; T208-S211 PolarHBondContact O-N 2.68Å; T208-S211 PolarHBondContact O-OG 3.03Å
209V49.8Very low69.8Low144 Ų14469.5 Ų69.587%0.87337%0.367SS*.THydrogen-bonded Turntrans-53.7-27-176.7179.80000113.1
210T58Low70.1Confident36 Ų3667 Ų6722%0.22136%0.36CS..Hα-helixtrans-72.1-19.2175.449.60000114.9T208 Q212 S213 I214 T253T208-T210 PolarHBondContact O-N 3.44Å; T210-Q212 PolarHBondContact O-N 2.74Å; T210-S213 CarbonylContact O-C 3.28Å; T210-S213 PolarHBondContact O-N 2.77Å; T210-S213 PolarHBondContact O-OG 2.74Å; T210-I214 WeakPolarHBondContact O-CA 3.2Å; T210-I214 VanDerWaalsContact O-CB 3.29Å; T210-I214 WeakPolarHBondContact O-CB 3.47Å; T210-I214 PolarHBondContact O-N 3.48Å; T210-T253 PolarHBondContact OG1-O 2.76Å; T210-T253 VanDerWaalsContact OG1-O 3.13Å
211S54.8Low70Confident12 Ų1268 Ų688%0.08437%0.365CS..Hα-helixtrans-66.9-40.2-170630000113.1S206 T208 I214S206-S211 WeakPolarHBondContact O-CB 3.45Å; S206-S211 PolarHBondContact O-OG 2.86Å; S206-S211 VanDerWaalsContact OG-CB 3.3Å; S206-S211 WeakPolarHBondContact OG-CB 3.43Å; T208-S211 WeakPolarHBondContact O-CB 3.48Å; T208-S211 PolarHBondContact O-N 2.68Å; T208-S211 PolarHBondContact O-OG 3.03Å; S211-I214 VanDerWaalsContact O-CG2 3.31Å; S211-I214 WeakPolarHBondContact O-CG2 3.46Å; S211-I214 PolarHBondContact O-N 2.68Å
212Q52.9Low69.5Low171 Ų17166.1 Ų66.180%0.79937%0.367SS*.Hα-helixtrans-75.3-29.1176.5-70.3-176.1-30.100112.9T210T210-Q212 PolarHBondContact O-N 2.74Å
213S66.8Low68.4Low42 Ų4269.1 Ų69.129%0.29438%0.382SS..Hα-helixtrans-82.9-15170.260.30000112.8T210 Q215 N216 Y217T210-S213 CarbonylContact O-C 3.28Å; T210-S213 PolarHBondContact O-N 2.77Å; T210-S213 PolarHBondContact O-OG 2.74Å; S213-Q215 PolarHBondContact O-N 2.85Å; S213-N216 WeakPolarHBondContact O-CA 3.35Å; S213-N216 VanDerWaalsContact O-CB 3.24Å; S213-N216 WeakPolarHBondContact O-CB 3.37Å; S213-N216 PolarHBondContact O-N 3.38Å; S213-Y217 WeakPolarHBondContact O-CD2 3.49Å; S213-Y217 PolarHBondContact O-N 2.88Å
214I78.5Confident67.3Low4 Ų471.1 Ų71.12%0.02140%0.399CS..Hα-helixtrans-64.9-28.5-179.7-136.968.2000111.3T210 S211 N216 Y217 F218 F254T210-I214 WeakPolarHBondContact O-CA 3.2Å; T210-I214 VanDerWaalsContact O-CB 3.29Å; T210-I214 WeakPolarHBondContact O-CB 3.47Å; T210-I214 PolarHBondContact O-N 3.48Å; S211-I214 VanDerWaalsContact O-CG2 3.31Å; S211-I214 WeakPolarHBondContact O-CG2 3.46Å; S211-I214 PolarHBondContact O-N 2.68Å; I214-N216 PolarHBondContact O-N 2.62Å; I214-Y217 CarbonylContact O-C 3.58Å; I214-Y217 PolarHBondContact O-N 3.09Å; I214-F218 HydrophobicContact CD1-CD2 3.9Å; I214-F218 HydrophobicContact CD1-CE2 4.25Å; I214-F218 HydrophobicContact CG1-CD2 3.84Å; I214-F218 PolarHBondContact O-N 2.69Å; I214-F254 HydrophobicContact CB-CB 4.48Å; I214-F254 HydrophobicContact CD1-CB 4.33Å; I214-F254 HydrophobicContact CD1-CD1 3.74Å; I214-F254 HydrophobicContact CD1-CE1 4.48Å; I214-F254 HydrophobicContact CD1-CG 4.31Å; I214-F254 HydrophobicContact CG1-CB 3.82Å; I214-F254 HydrophobicContact CG1-CD1 3.54Å; I214-F254 HydrophobicContact CG1-CE1 4.26Å; I214-F254 HydrophobicContact CG1-CG 3.72Å; I214-F254 HydrophobicContact CG2-CB 4.37Å
215Q71.2Confident66.6Low107 Ų10772.1 Ų72.150%0.540%0.401SS..Hα-helixtrans-74.8-3.5172.3-64-172.5-14.300113.7S213 I241S213-Q215 PolarHBondContact O-N 2.85Å; Q215-I241 WeakPolarHBondContact O-CD1 3.12Å
216N81.2Confident66.2Low86 Ų8670.2 Ų70.246%0.4640%0.399SS..Hα-helixtrans-93.8-17.4164.1-53-17.9000112S213 I214 I241 H242S213-N216 WeakPolarHBondContact O-CA 3.35Å; S213-N216 VanDerWaalsContact O-CB 3.24Å; S213-N216 WeakPolarHBondContact O-CB 3.37Å; S213-N216 PolarHBondContact O-N 3.38Å; I214-N216 PolarHBondContact O-N 2.62Å; N216-I241 WeakPolarHBondContact O-CG1 3.4Å; N216-H242 WeakPolarHBondContact O-CB 3.5Å; N216-H242 PolarHBondContact O-ND1 2.95Å
217Y83.8Confident66Low49 Ų4977.7 Ų77.719%0.19243%0.428CS..Hα-helixtrans-112.7-19.9-178-74.5-91.1000114.2S213 I214 L240 I241 H242 L244 Y252S213-Y217 WeakPolarHBondContact O-CD2 3.49Å; S213-Y217 PolarHBondContact O-N 2.88Å; I214-Y217 CarbonylContact O-C 3.58Å; I214-Y217 PolarHBondContact O-N 3.09Å; Y217-L240 CarbonylContact O-C 3.45Å; Y217-L240 WeakPolarHBondContact O-CA 3.4Å; Y217-L240 WeakPolarHBondContact O-CD1 3.35Å; Y217-I241 WeakPolarHBondContact O-CG1 3.35Å; Y217-I241 PolarHBondContact O-N 3.21Å; Y217-H242 HydrophobicContact CD1-CB 3.39Å; Y217-H242 HydrophobicContact CE1-CB 3.53Å; Y217-H242 HydrophobicContact CG-CB 3.93Å; Y217-L244 HydrophobicContact CD1-CD2 4.41Å; Y217-L244 HydrophobicContact CE1-CD2 4.06Å; Y217-Y252 HydrophobicContact CE1-CE1 4.29Å; Y217-Y252 HydrophobicContact CE2-CE1 4.38Å
218F85.4Confident66Low7 Ų779.2 Ų79.23%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-148.8151.7-176.7-62.5-82.5000114.4I167 I214 L238 E239 L240 I241 F254 I275I167-F218 HydrophobicContact CD1-CZ 4.26Å; I214-F218 HydrophobicContact CD1-CD2 3.9Å; I214-F218 HydrophobicContact CD1-CE2 4.25Å; I214-F218 HydrophobicContact CG1-CD2 3.84Å; I214-F218 PolarHBondContact O-N 2.69Å; F218-L238 HydrophobicContact CB-CD1 4.39Å; F218-L238 HydrophobicContact CB-CD2 4.33Å; F218-L238 HydrophobicContact CB-CG 4.42Å; F218-L238 HydrophobicContact CD1-CD2 3.61Å; F218-L238 HydrophobicContact CD1-CG 4.33Å; F218-L238 HydrophobicContact CE1-CD2 4.35Å; F218-L238 HydrophobicContact CG-CD2 4.21Å; F218-E239 CarbonylContact C-O 3.51Å; F218-E239 WeakPolarHBondContact CA-O 3.44Å; F218-L240 HydrophobicContact CD1-CB 4.28Å; F218-L240 HydrophobicContact CD1-CD1 4.19Å; F218-L240 HydrophobicContact CE1-CB 3.9Å; F218-L240 HydrophobicContact CE1-CD1 3.37Å; F218-L240 HydrophobicContact CE1-CG 4.23Å; F218-L240 HydrophobicContact CE2-CD1 4.1Å; F218-L240 HydrophobicContact CZ-CD1 3.29Å; F218-I241 VanDerWaalsContact N-CG1 3.31Å; F218-F254 HydrophobicContact CD2-CE1 4.08Å; F218-F254 HydrophobicContact CE2-CE1 4.41Å; F218-F254 HydrophobicContact CG-CE1 4.25Å; F218-F254 HydrophobicContact CG-CZ 4.37Å; F218-I275 HydrophobicContact CE1-CD1 4.02Å; F218-I275 HydrophobicContact CE2-CD1 3.6Å; F218-I275 HydrophobicContact CZ-CD1 3.24Å
219K83.7Confident65.6Low97 Ų9780.3 Ų80.342%0.42245%0.45SS..EExtended strand (participates in β ladder)trans-141159.7180175.9166.8152.4-119.40112L238 E239K219-L238 CarbonylContact O-C 3.56Å; K219-L238 VanDerWaalsContact O-CA 3.25Å; K219-L238 WeakPolarHBondContact O-CA 3.26Å; K219-L238 WeakPolarHBondContact O-CD1 3.3Å; K219-L238 WeakPolarHBondContact O-CG 3.36Å; K219-E239 HydrophobicContact CB-CB 4.32Å; K219-E239 VanDerWaalsContact CD-OE2 3.28Å; K219-E239 WeakPolarHBondContact CD-OE2 3.44Å; K219-E239 WeakPolarHBondContact CE-OE2 3.49Å; K219-E239 WeakPolarHBondContact CG-OE2 3.2Å; K219-E239 PolarHBondContact N-O 2.94Å; K219-E239 IonicContact NZ-OE1 3.63Å; K219-E239 IonicContact NZ-OE2 3.1Å; K219-E239 PolarHBondContact NZ-OE2 3.25Å; K219-E239 PolarHBondContact O-N 3.35Å
220L85.5Confident65.2Low38 Ų3878.9 Ų78.920%0.19944%0.442CS..EExtended strand (participates in β ladder)trans-127.3144.6-171.517667.8000112.4L180 I202 E237 I256L180-L220 HydrophobicContact CD1-CD1 3.37Å; I202-L220 HydrophobicContact CD1-CB 3.89Å; I202-L220 HydrophobicContact CG1-CB 3.85Å; I202-L220 HydrophobicContact CG1-CD2 3.81Å; I202-L220 HydrophobicContact CG1-CG 4.43Å; L220-E237 CarbonylContact C-O 3.45Å; L220-E237 WeakPolarHBondContact CA-O 3.48Å; L220-I256 HydrophobicContact CD1-CD1 4.4Å; L220-I256 HydrophobicContact CD2-CG2 4.4Å
221H80Confident64.6Low52 Ų5282.1 Ų82.124%0.24146%0.457CS..EExtended strand (participates in β ladder)trans-134.9155.5179-57-90.8000113.2L223 L236 E237 E239H221-L223 HydrophobicContact CB-CD1 4.41Å; H221-L236 WeakPolarHBondContact O-CA 3.4Å; H221-E237 HydrophobicContact CB-CB 4.49Å; H221-E237 PolarHBondContact N-O 3.15Å; H221-E237 PolarHBondContact O-N 2.88Å; H221-E237 VanDerWaalsContact O-N 3.16Å; H221-E239 IonicContact CD2-OE2 2.83Å; H221-E239 IonicContact CE1-OE2 3.16Å; H221-E239 PolarHBondContact CE1-OE2 2.82Å; H221-E239 IonicContact NE2-OE2 3.65Å; H221-E239 PolarHBondContact NE2-OE2 3.09Å
222S74.3Confident64.2Low61 Ų6184.9 Ų84.943%0.42748%0.475SS..EExtended strand (participates in β ladder)trans-141.2135.9175.165.20000111.8Y235S222-Y235 WeakPolarHBondContact CA-O 3.13Å
223L63Low64.2Low83 Ų8381.9 Ų81.944%0.43546%0.464SS..EExtended strand (participates in β ladder)trans-136.2158.6-174.2-66.699.9000113.7H221 N234 Y235H221-L223 HydrophobicContact CB-CD1 4.41Å; L223-N234 VanDerWaalsContact O-CA 3.24Å; L223-N234 WeakPolarHBondContact O-CA 3.41Å; L223-Y235 HydrophobicContact CB-CD2 4.3Å; L223-Y235 HydrophobicContact CB-CE2 4.11Å; L223-Y235 PolarHBondContact N-O 2.83Å; L223-Y235 PolarHBondContact O-N 2.83Å; L223-Y235 VanDerWaalsContact O-N 3.15Å
224S57.9Low64Low71 Ų7183.5 Ų83.550%0.49747%0.469SS..EExtended strand (participates in β ladder)trans-137.1134.6176.4118.70000110.2N233 N234S224-N233 CarbonylContact C-O 3.5Å; S224-N233 WeakPolarHBondContact CA-O 3.45Å; S224-N234 WeakPolarHBondContact CB-OD1 3.46Å
225L56.6Low63.7Low90 Ų9088.4 Ų88.447%0.47149%0.488SS..EExtended strand (participates in β ladder)trans-119130.8175.8-117.676.3000112.1P232 N233L225-P232 VanDerWaalsContact O-CA 3.32Å; L225-P232 WeakPolarHBondContact O-CA 3.41Å; L225-N233 PolarHBondContact N-O 3.42Å; L225-N233 PolarHBondContact O-N 3.25Å; L225-N233 VanDerWaalsContact O-N 3.14Å
226S50.6Low64.3Low103 Ų10383.6 Ų83.672%0.7247%0.466SS*.  trans-116.6132.8171.661.70000111.9
227K49.1Very low64.3Low182 Ų18282 Ų8279%0.79146%0.456SS*.  trans-138131.7167.7-82.2-174.3174.4178.20108.9
228N50.5Low64.4Low165 Ų16579.7 Ų79.788%0.88245%0.447SS*.THydrogen-bonded Turntrans24.391.4171.1-68.76.4000117.9T230N228-T230 PolarHBondContact O-N 3.14Å
229G44.1Very low64.4Low87 Ų8780 Ų8090%0.89745%0.448SS*.THydrogen-bonded Turntrans92.8-39.1146.700000117.4
230T42.3Very low64.5Low114 Ų11475.6 Ų75.670%0.69943%0.429SS*.SBendtrans-142.5117-175.154.10000113.5N228N228-T230 PolarHBondContact O-N 3.14Å
231I44.1Very low64.5Low103 Ų10375.4 Ų75.453%0.52843%0.428SS..  trans72124.1166.9-49.7166.7000115.7I101I101-I231 HydrophobicContact CD1-CD1 3.84Å; I101-I231 HydrophobicContact CG1-CD1 3.76Å; I101-I231 HydrophobicContact CG2-CD1 4.13Å
232P47.4Very low64.8Low71 Ų7177.7 Ų77.746%0.46144%0.439SS..  trans-88.2154.3169.335.8-33.2000112.8L225L225-P232 VanDerWaalsContact O-CA 3.32Å; L225-P232 WeakPolarHBondContact O-CA 3.41Å
233N53Low65.1Low108 Ų10880.2 Ų80.258%0.57844%0.442SS*.EExtended strand (participates in β ladder)trans-114139.2174.1-76.9-23.1000111.4S224 L225S224-N233 CarbonylContact C-O 3.5Å; S224-N233 WeakPolarHBondContact CA-O 3.45Å; L225-N233 PolarHBondContact N-O 3.42Å; L225-N233 PolarHBondContact O-N 3.25Å; L225-N233 VanDerWaalsContact O-N 3.14Å
234N62.6Low66.1Low76 Ų7676.9 Ų76.941%0.40643%0.425SS..EExtended strand (participates in β ladder)trans-128.8149.7-171-56.8-16.9000112.4L197 L223 S224L197-N234 HydrophobicContact CD1-CB 4.23Å; L197-N234 HydrophobicContact CD2-CB 4.32Å; L197-N234 HydrophobicContact CG-CB 4.49Å; L223-N234 VanDerWaalsContact O-CA 3.24Å; L223-N234 WeakPolarHBondContact O-CA 3.41Å; S224-N234 WeakPolarHBondContact CB-OD1 3.46Å
235Y72.4Confident67.4Low107 Ų10776.2 Ų76.242%0.4242%0.415SS..EExtended strand (participates in β ladder)trans-159.9168.1178.234.5-97.6000115.7S222 L223S222-Y235 WeakPolarHBondContact CA-O 3.13Å; L223-Y235 HydrophobicContact CB-CD2 4.3Å; L223-Y235 HydrophobicContact CB-CE2 4.11Å; L223-Y235 PolarHBondContact N-O 2.83Å; L223-Y235 PolarHBondContact O-N 2.83Å; L223-Y235 VanDerWaalsContact O-N 3.15Å
236L82.9Confident68.8Low5 Ų574.2 Ų74.23%0.02640%0.402CS..EExtended strand (participates in β ladder)trans-125.4147.2-173.9-67.7173.9000113.6F157 L180 I182 I200 H221F157-L236 HydrophobicContact CE1-CD1 4.03Å; L180-L236 HydrophobicContact CB-CB 4.19Å; L180-L236 PolarHBondContact N-O 3.41Å; I182-L236 HydrophobicContact CG2-CB 4.41Å; I182-L236 HydrophobicContact CG2-CD1 4.43Å; I182-L236 HydrophobicContact CG2-CG 4.27Å; I200-L236 HydrophobicContact CD1-CD1 4.27Å; I200-L236 HydrophobicContact CD1-CD2 4.03Å; I200-L236 HydrophobicContact CG2-CD1 3.99Å; I200-L236 HydrophobicContact CG2-CD2 3.95Å; H221-L236 WeakPolarHBondContact O-CA 3.4Å
237E81.8Confident70.5Confident53 Ų5374.7 Ų74.725%0.24839%0.393CS..EExtended strand (participates in β ladder)trans-148.2141.2-177.2-174.9-176.2-10800113.1R177 L220 H221R177-E237 HydrophobicContact CB-CG 4.15Å; R177-E237 WeakPolarHBondContact CD-OE2 3.32Å; R177-E237 HydrophobicContact CG-CG 4.46Å; R177-E237 IonicContact CZ-OE2 2.88Å; R177-E237 IonicContact NE-OE2 2.65Å; R177-E237 IonicContact NH1-OE2 2.55Å; R177-E237 PolarHBondContact NH1-OE2 2.72Å; L220-E237 CarbonylContact C-O 3.45Å; L220-E237 WeakPolarHBondContact CA-O 3.48Å; H221-E237 HydrophobicContact CB-CB 4.49Å; H221-E237 PolarHBondContact N-O 3.15Å; H221-E237 PolarHBondContact O-N 2.88Å; H221-E237 VanDerWaalsContact O-N 3.16Å
238L86.4Confident72Confident0 Ų073.8 Ų73.80%039%0.391CS..EExtended strand (participates in β ladder)trans-108.2147.1172.5-166.393000111.7R177 F178 L180 I202 F218 K219 F254 I256R177-L238 CarbonylContact C-O 3.44Å; R177-L238 WeakPolarHBondContact CA-O 3.3Å; F178-L238 HydrophobicContact CD2-CD2 4.44Å; F178-L238 PolarHBondContact N-O 3.46Å; F178-L238 PolarHBondContact O-N 2.05Å; L180-L238 HydrophobicContact CD1-CB 4.04Å; L180-L238 HydrophobicContact CD1-CD1 4.5Å; L180-L238 HydrophobicContact CD2-CB 4.13Å; L180-L238 HydrophobicContact CG-CB 4.08Å; I202-L238 HydrophobicContact CD1-CD1 4.41Å; F218-L238 HydrophobicContact CB-CD1 4.39Å; F218-L238 HydrophobicContact CB-CD2 4.33Å; F218-L238 HydrophobicContact CB-CG 4.42Å; F218-L238 HydrophobicContact CD1-CD2 3.61Å; F218-L238 HydrophobicContact CD1-CG 4.33Å; F218-L238 HydrophobicContact CE1-CD2 4.35Å; F218-L238 HydrophobicContact CG-CD2 4.21Å; K219-L238 CarbonylContact O-C 3.56Å; K219-L238 VanDerWaalsContact O-CA 3.25Å; K219-L238 WeakPolarHBondContact O-CA 3.26Å; K219-L238 WeakPolarHBondContact O-CD1 3.3Å; K219-L238 WeakPolarHBondContact O-CG 3.36Å; L238-F254 HydrophobicContact CD1-CE2 3.96Å; L238-F254 HydrophobicContact CD1-CZ 4.15Å; L238-F254 HydrophobicContact CD2-CE2 4.23Å; L238-F254 HydrophobicContact CD2-CZ 3.58Å; L238-I256 HydrophobicContact CD1-CD1 4.3Å
239E83.9Confident73.5Confident15 Ų1571.4 Ų71.47%0.0738%0.375CS..EExtended strand (participates in β ladder)trans-129.5119-173.5172.8-175.3-144.600110.2R177 F218 K219 H221 I241R177-E239 HydrophobicContact CG-CB 4.39Å; R177-E239 IonicContact CZ-OE1 3.23Å; R177-E239 VanDerWaalsContact NH2-CD 3.31Å; R177-E239 IonicContact NH2-OE1 2.76Å; R177-E239 PolarHBondContact NH2-OE1 2.6Å; F218-E239 CarbonylContact C-O 3.51Å; F218-E239 WeakPolarHBondContact CA-O 3.44Å; K219-E239 HydrophobicContact CB-CB 4.32Å; K219-E239 VanDerWaalsContact CD-OE2 3.28Å; K219-E239 WeakPolarHBondContact CD-OE2 3.44Å; K219-E239 WeakPolarHBondContact CE-OE2 3.49Å; K219-E239 WeakPolarHBondContact CG-OE2 3.2Å; K219-E239 PolarHBondContact N-O 2.94Å; K219-E239 IonicContact NZ-OE1 3.63Å; K219-E239 IonicContact NZ-OE2 3.1Å; K219-E239 PolarHBondContact NZ-OE2 3.25Å; K219-E239 PolarHBondContact O-N 3.35Å; H221-E239 IonicContact CD2-OE2 2.83Å; H221-E239 IonicContact CE1-OE2 3.16Å; H221-E239 PolarHBondContact CE1-OE2 2.82Å; H221-E239 IonicContact NE2-OE2 3.65Å; H221-E239 PolarHBondContact NE2-OE2 3.09Å; E239-I241 HydrophobicContact CG-CG2 4.07Å
240L86.2Confident75.4Confident3 Ų371.3 Ų71.32%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-66.6144.2170.5176.972.1000110.6N174 T176 Y217 F218N174-L240 WeakPolarHBondContact CA-O 3.48Å; N174-L240 PolarHBondContact N-O 2.91Å; T176-L240 WeakPolarHBondContact O-CB 3.18Å; T176-L240 PolarHBondContact O-N 3.44Å; Y217-L240 CarbonylContact O-C 3.45Å; Y217-L240 WeakPolarHBondContact O-CA 3.4Å; Y217-L240 WeakPolarHBondContact O-CD1 3.35Å; F218-L240 HydrophobicContact CD1-CB 4.28Å; F218-L240 HydrophobicContact CD1-CD1 4.19Å; F218-L240 HydrophobicContact CE1-CB 3.9Å; F218-L240 HydrophobicContact CE1-CD1 3.37Å; F218-L240 HydrophobicContact CE1-CG 4.23Å; F218-L240 HydrophobicContact CE2-CD1 4.1Å; F218-L240 HydrophobicContact CZ-CD1 3.29Å
241I86.5Confident77.5Confident34 Ų3470.9 Ų70.917%0.17434%0.343CS..  trans-138.62.2-178.457.3162.7000117.1V173 N174 Q215 N216 Y217 F218 E239V173-I241 WeakPolarHBondContact CG1-O 3.26Å; N174-I241 WeakPolarHBondContact OD1-CG2 3.48Å; Q215-I241 WeakPolarHBondContact O-CD1 3.12Å; N216-I241 WeakPolarHBondContact O-CG1 3.4Å; Y217-I241 WeakPolarHBondContact O-CG1 3.35Å; Y217-I241 PolarHBondContact O-N 3.21Å; F218-I241 VanDerWaalsContact N-CG1 3.31Å; E239-I241 HydrophobicContact CG-CG2 4.07Å
242H85.3Confident79.4Confident100 Ų10066.9 Ų66.946%0.46332%0.321SS..SBendtrans-147.4164.2171.4-92.242.7000113.5N216 Y217N216-H242 WeakPolarHBondContact O-CB 3.5Å; N216-H242 PolarHBondContact O-ND1 2.95Å; Y217-H242 HydrophobicContact CD1-CB 3.39Å; Y217-H242 HydrophobicContact CE1-CB 3.53Å; Y217-H242 HydrophobicContact CG-CB 3.93Å
243K80.6Confident81.1Confident115 Ų11566.1 Ų66.150%0.532%0.315SS..  trans-100.7166.6-169-161-117.2173.6-146.30115.6E169 V173E169-K243 WeakPolarHBondContact O-CE 3.37Å; E169-K243 PolarHBondContact O-NZ 2.69Å; V173-K243 HydrophobicContact CG2-CB 4.43Å
244L84.2Confident82.6Confident13 Ų1361.6 Ų61.67%0.06829%0.29CS..  trans-126.3178.6-172.8-42.6-172.3000113.3I167 Y217 Y252 V277I167-L244 HydrophobicContact CB-CD1 4.15Å; I167-L244 HydrophobicContact CG2-CD1 3.64Å; Y217-L244 HydrophobicContact CD1-CD2 4.41Å; Y217-L244 HydrophobicContact CE1-CD2 4.06Å; L244-Y252 HydrophobicContact CD1-CD2 4.48Å; L244-Y252 HydrophobicContact CD1-CE2 4.11Å; L244-Y252 HydrophobicContact CD2-CD2 4.17Å; L244-Y252 HydrophobicContact CD2-CE1 4.48Å; L244-Y252 HydrophobicContact CD2-CE2 3.42Å; L244-Y252 VanDerWaalsContact CD2-CE2 3.42Å; L244-Y252 HydrophobicContact CG-CE2 4.3Å; L244-V277 HydrophobicContact CD1-CG2 3.72Å
245D84.4Confident83.8Confident56 Ų5660.7 Ų60.730%0.29928%0.283SS..BIsolated β-bridgetrans-163.9135.7-173.9-171.9-69.1000112.7E169 E247 E248 Q249E169-D245 WeakPolarHBondContact OE2-CA 3.5Å; D245-E247 PolarHBondContact OD1-N 2.76Å; D245-E247 VanDerWaalsContact OD1-N 3.11Å; D245-E248 HydrophobicContact CB-CB 4.06Å; D245-E248 VanDerWaalsContact OD1-CB 3.3Å; D245-E248 WeakPolarHBondContact OD1-CB 3.17Å; D245-E248 PolarHBondContact OD1-N 2.7Å; D245-Q249 CarbonylContact O-C 3.57Å; D245-Q249 PolarHBondContact O-N 3.4Å
246Y86.4Confident84.5Confident49 Ų4955.6 Ų55.619%0.19226%0.264CS..THydrogen-bonded Turntrans-88.6-35.9179.8-175.1-95.2000114.5E169 E248 K250 E278 D279E169-Y246 WeakPolarHBondContact OE1-CB 3.43Å; E169-Y246 PolarHBondContact OE2-N 2.79Å; Y246-E248 PolarHBondContact O-N 2.74Å; Y246-K250 HydrophobicContact CD2-CD 3.59Å; Y246-K250 HydrophobicContact CD2-CG 4.17Å; Y246-K250 HydrophobicContact CE2-CD 3.52Å; Y246-K250 HydrophobicContact CG-CD 4.37Å; Y246-K250 VanDerWaalsContact CG-NZ 3.26Å; Y246-K250 WeakPolarHBondContact O-CE 3.14Å; Y246-K250 PolarHBondContact O-NZ 3.4Å; Y246-E278 VanDerWaalsContact CD2-C 3.42Å; Y246-E278 WeakPolarHBondContact CD2-O 3.13Å; Y246-D279 HydrophobicContact CD1-CB 4.34Å; Y246-D279 HydrophobicContact CD2-CB 4.37Å; Y246-D279 HydrophobicContact CE1-CB 3.7Å; Y246-D279 WeakPolarHBondContact CE1-OD1 3.4Å; Y246-D279 WeakPolarHBondContact CE1-OD2 3.4Å; Y246-D279 HydrophobicContact CE2-CB 3.72Å; Y246-D279 WeakPolarHBondContact OH-CB 3.17Å; Y246-D279 PolarHBondContact OH-OD2 2.78Å
247E85.8Confident84.7Confident112 Ų11256 Ų5652%0.52327%0.266SS..THydrogen-bonded Turntrans-62.8-22.7173.2-77.256.9-98.900110.6D245D245-E247 PolarHBondContact OD1-N 2.76Å; D245-E247 VanDerWaalsContact OD1-N 3.11Å
248E80.5Confident84.9Confident164 Ų16453.5 Ų53.577%0.76625%0.254SS*.THydrogen-bonded Turntrans-104.3-64.1178.1-158.1173.8-134.500116.4D245 Y246D245-E248 HydrophobicContact CB-CB 4.06Å; D245-E248 VanDerWaalsContact OD1-CB 3.3Å; D245-E248 WeakPolarHBondContact OD1-CB 3.17Å; D245-E248 PolarHBondContact OD1-N 2.7Å; Y246-E248 PolarHBondContact O-N 2.74Å
249Q82Confident84.8Confident114 Ų11454.5 Ų54.553%0.53326%0.259SS..BIsolated β-bridgetrans-158139.9-168.9-162.4-172-103.100119.2D245 Y252D245-Q249 CarbonylContact O-C 3.57Å; D245-Q249 PolarHBondContact O-N 3.4Å; Q249-Y252 PolarHBondContact NE2-OH 2.62Å
250K85.4Confident84.3Confident86 Ų8653.8 Ų53.837%0.37426%0.256SS..  trans-12112.5-154.1-40.6-176-171.2-137.60120.7Y246 V277Y246-K250 HydrophobicContact CD2-CD 3.59Å; Y246-K250 HydrophobicContact CD2-CG 4.17Å; Y246-K250 HydrophobicContact CE2-CD 3.52Å; Y246-K250 HydrophobicContact CG-CD 4.37Å; Y246-K250 VanDerWaalsContact CG-NZ 3.26Å; Y246-K250 WeakPolarHBondContact O-CE 3.14Å; Y246-K250 PolarHBondContact O-NZ 3.4Å; K250-V277 HydrophobicContact CB-CB 4.2Å; K250-V277 PolarHBondContact O-N 3.11Å
251L85.4Confident83.5Confident105 Ų10555 Ų5555%0.5527%0.27SS..EExtended strand (participates in β ladder)trans-163.1145.4-171.8-16877.4000118I275 L276L251-I275 WeakPolarHBondContact CD1-O 3.39Å; L251-L276 HydrophobicContact CD1-CD2 3.4Å; L251-L276 VanDerWaalsContact CD1-CD2 3.4Å; L251-L276 HydrophobicContact CD1-CG 3.96Å
252Y84.3Confident82.6Confident19 Ų1958.9 Ų58.98%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-150.7158.2177.7-56-101.3000117.2Y217 L244 Q249 I275Y217-Y252 HydrophobicContact CE1-CE1 4.29Å; Y217-Y252 HydrophobicContact CE2-CE1 4.38Å; L244-Y252 HydrophobicContact CD1-CD2 4.48Å; L244-Y252 HydrophobicContact CD1-CE2 4.11Å; L244-Y252 HydrophobicContact CD2-CD2 4.17Å; L244-Y252 HydrophobicContact CD2-CE1 4.48Å; L244-Y252 HydrophobicContact CD2-CE2 3.42Å; L244-Y252 VanDerWaalsContact CD2-CE2 3.42Å; L244-Y252 HydrophobicContact CG-CE2 4.3Å; Q249-Y252 PolarHBondContact NE2-OH 2.62Å; Y252-I275 HydrophobicContact CD2-CG2 4.03Å; Y252-I275 HydrophobicContact CG-CG2 4.48Å; Y252-I275 PolarHBondContact N-O 2.67Å; Y252-I275 VanDerWaalsContact N-O 3.13Å; Y252-I275 PolarHBondContact O-N 3.16Å
253T83.6Confident81.5Confident54 Ų5460 Ų6033%0.33130%0.302SS..EExtended strand (participates in β ladder)trans-158.6152.4-177.550.40000118T210 V273 T274T210-T253 PolarHBondContact OG1-O 2.76Å; T210-T253 VanDerWaalsContact OG1-O 3.13Å; T253-V273 WeakPolarHBondContact CA-O 3.32Å; T253-T274 HydrophobicContact CG2-CG2 3.92Å
254F85.1Confident80.7Confident14 Ų1458.9 Ų58.96%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-169.2-169.5175.564.5-82.7000118I214 F218 L238 V273 I275I214-F254 HydrophobicContact CB-CB 4.48Å; I214-F254 HydrophobicContact CD1-CB 4.33Å; I214-F254 HydrophobicContact CD1-CD1 3.74Å; I214-F254 HydrophobicContact CD1-CE1 4.48Å; I214-F254 HydrophobicContact CD1-CG 4.31Å; I214-F254 HydrophobicContact CG1-CB 3.82Å; I214-F254 HydrophobicContact CG1-CD1 3.54Å; I214-F254 HydrophobicContact CG1-CE1 4.26Å; I214-F254 HydrophobicContact CG1-CG 3.72Å; I214-F254 HydrophobicContact CG2-CB 4.37Å; F218-F254 HydrophobicContact CD2-CE1 4.08Å; F218-F254 HydrophobicContact CE2-CE1 4.41Å; F218-F254 HydrophobicContact CG-CE1 4.25Å; F218-F254 HydrophobicContact CG-CZ 4.37Å; L238-F254 HydrophobicContact CD1-CE2 3.96Å; L238-F254 HydrophobicContact CD1-CZ 4.15Å; L238-F254 HydrophobicContact CD2-CE2 4.23Å; L238-F254 HydrophobicContact CD2-CZ 3.58Å; F254-V273 HydrophobicContact CD1-CB 4.26Å; F254-V273 HydrophobicContact CD2-CB 4.21Å; F254-V273 HydrophobicContact CD2-CG2 4.35Å; F254-V273 HydrophobicContact CE1-CB 3.87Å; F254-V273 HydrophobicContact CE1-CG1 3.73Å; F254-V273 HydrophobicContact CE2-CB 3.79Å; F254-V273 HydrophobicContact CE2-CG1 4.19Å; F254-V273 HydrophobicContact CE2-CG2 3.77Å; F254-V273 HydrophobicContact CG-CB 4.41Å; F254-V273 HydrophobicContact CZ-CB 3.59Å; F254-V273 HydrophobicContact CZ-CG1 3.5Å; F254-V273 VanDerWaalsContact CZ-CG1 3.5Å; F254-V273 HydrophobicContact CZ-CG2 3.95Å; F254-V273 PolarHBondContact N-O 3.46Å; F254-V273 PolarHBondContact O-N 2.72Å; F254-I275 HydrophobicContact CE1-CD1 4.22Å
255Q87.3Confident79.6Confident56 Ų5662 Ų6226%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-148.5158.5-170.3-136.2-171.724.100117.8I202 N203 L271 N272I202-Q255 WeakPolarHBondContact CG2-O 3.36Å; N203-Q255 HydrophobicContact CB-CB 4.08Å; N203-Q255 PolarHBondContact N-O 3.43Å; N203-Q255 PolarHBondContact ND2-OE1 3.49Å; Q255-L271 CarbonylContact C-O 3.36Å; Q255-L271 WeakPolarHBondContact CA-O 3.39Å; Q255-L271 WeakPolarHBondContact CG-O 3.36Å; Q255-N272 VanDerWaalsContact CG-OD1 3.3Å; Q255-N272 WeakPolarHBondContact CG-OD1 3.32Å; Q255-N272 PolarHBondContact NE2-OD1 3.45Å
256I87.2Confident78.6Confident1 Ų165.2 Ų65.21%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-139.7154.1-176.4-58.5179.7000113.1L180 W201 I202 L220 L238 H270 L271L180-I256 HydrophobicContact CD1-CD1 3.45Å; L180-I256 VanDerWaalsContact CD1-CD1 3.45Å; L180-I256 HydrophobicContact CD2-CD1 4.11Å; L180-I256 HydrophobicContact CG-CD1 4.42Å; W201-I256 WeakPolarHBondContact O-CG2 3.43Å; I202-I256 HydrophobicContact CG1-CG1 4.37Å; L220-I256 HydrophobicContact CD1-CD1 4.4Å; L220-I256 HydrophobicContact CD2-CG2 4.4Å; L238-I256 HydrophobicContact CD1-CD1 4.3Å; I256-H270 CarbonylContact O-C 3.59Å; I256-H270 VanDerWaalsContact O-CA 3.3Å; I256-H270 WeakPolarHBondContact O-CA 3.07Å; I256-L271 HydrophobicContact CB-CB 4.31Å; I256-L271 PolarHBondContact N-O 3.28Å; I256-L271 PolarHBondContact O-N 2.98Å
257I87.4Confident77.9Confident14 Ų1464.3 Ų64.37%0.07234%0.343CS..EExtended strand (participates in β ladder)trans-135.5149.8-173.5-49.6-176.4000113.8I200 W201 N203 C269I200-I257 WeakPolarHBondContact CA-O 3.3Å; I200-I257 WeakPolarHBondContact CG2-O 3.42Å; W201-I257 HydrophobicContact CD2-CB 4.39Å; W201-I257 HydrophobicContact CH2-CG2 3.92Å; W201-I257 HydrophobicContact CZ2-CB 4.12Å; W201-I257 HydrophobicContact CZ2-CD1 4.31Å; W201-I257 HydrophobicContact CZ2-CG2 3.76Å; W201-I257 PolarHBondContact N-O 3.23Å; W201-I257 PolarHBondContact O-N 3.25Å; N203-I257 HydrophobicContact CB-CD1 3.99Å; N203-I257 HydrophobicContact CB-CG1 4.13Å; I257-C269 CarbonylContact C-O 3.57Å; I257-C269 WeakPolarHBondContact CA-O 3.36Å
258A84.8Confident77.7Confident0 Ų062.2 Ų62.20%033%0.334CS..EExtended strand (participates in β ladder)trans-140.6159.6167.200000113.6F157 P183 R199 I200 Q268 C269F157-A258 HydrophobicContact CE2-CB 4.22Å; F157-A258 HydrophobicContact CZ-CB 3.86Å; P183-A258 HydrophobicContact CB-CB 4.1Å; P183-A258 HydrophobicContact CG-CB 4.23Å; R199-A258 WeakPolarHBondContact O-CA 3.41Å; I200-A258 HydrophobicContact CG1-CB 3.98Å; I200-A258 HydrophobicContact CG2-CB 4.38Å; A258-Q268 VanDerWaalsContact O-CA 3.31Å; A258-Q268 WeakPolarHBondContact O-CA 3.43Å; A258-C269 PolarHBondContact N-O 2.82Å; A258-C269 PolarHBondContact O-N 3.38Å
259D83.6Confident77.9Confident20 Ų2054.9 Ų54.911%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-148.3142.9-168.8176.3-71.2000113R199 W201 G261 Q268R199-D259 HydrophobicContact CB-CB 4.15Å; R199-D259 WeakPolarHBondContact CD-OD1 3.37Å; R199-D259 IonicContact CZ-OD1 2.73Å; R199-D259 IonicContact NE-OD1 3.51Å; R199-D259 IonicContact NH1-OD1 2.78Å; R199-D259 PolarHBondContact NH1-OD1 3.25Å; R199-D259 PolarHBondContact O-N 2.85Å; W201-D259 HydrophobicContact CH2-CB 4.41Å; W201-D259 HydrophobicContact CZ3-CB 4.39Å; D259-G261 PolarHBondContact OD1-N 3.06Å; D259-Q268 HydrophobicContact CB-CG 4.03Å; D259-Q268 WeakPolarHBondContact OD2-CG 3.35Å; D259-Q268 PolarHBondContact OD2-NE2 2.77Å
260D75.3Confident78.2Confident1 Ų153.2 Ų53.21%0.00529%0.292CS..  trans-84.9-51.9-171.872.1-24.9000115N151 V195 K196 Y262 H267N151-D260 PolarHBondContact ND2-OD2 2.67Å; N151-D260 PolarHBondContact OD1-OD2 3Å; V195-D260 HydrophobicContact CG2-CB 4.2Å; K196-D260 PolarHBondContact NZ-O 2.93Å; D260-Y262 PolarHBondContact OD1-N 3.3Å; D260-H267 HydrophobicContact CB-CB 4.36Å; D260-H267 VanDerWaalsContact OD1-CB 3.3Å; D260-H267 WeakPolarHBondContact OD1-CB 3.39Å; D260-H267 WeakPolarHBondContact OD2-CB 3.25Å; D260-H267 IonicContact OD2-CG 3.43Å; D260-H267 IonicContact OD2-ND1 2.64Å; D260-H267 PolarHBondContact OD2-ND1 3.14Å
261G68.9Low78.4Confident29 Ų2949.1 Ų49.130%0.29927%0.274SS..SBendtrans152.3-33.5-161.900000114.3R199 D259R199-G261 VanDerWaalsContact NH1-CA 3.35Å; D259-G261 PolarHBondContact OD1-N 3.06Å
262Y67.2Low78.6Confident115 Ų11546.7 Ų46.745%0.45126%0.262SS..  trans-85.7146.9-168-134.4-104000112.9N151 D260 L264N151-Y262 HydrophobicContact CB-CD2 3.76Å; N151-Y262 HydrophobicContact CB-CE2 3.81Å; N151-Y262 WeakPolarHBondContact OD1-CB 2.93Å; N151-Y262 WeakPolarHBondContact OD1-CD2 3.22Å; D260-Y262 PolarHBondContact OD1-N 3.3Å; Y262-L264 HydrophobicContact CD1-CD1 4.12Å; Y262-L264 HydrophobicContact CE1-CD1 4.43Å; Y262-L264 PolarHBondContact O-N 3.16Å
263S62.9Low78.7Confident124 Ų12445.9 Ų45.987%0.86726%0.259SS*.SBendtrans-80.426.7-169.8-56.90000114.9
264L62.5Low79Confident90 Ų9045.6 Ų45.647%0.47126%0.257SS..SBendtrans-125.3133.4172.6-76.895.3000110.4Y262 N266 H267Y262-L264 HydrophobicContact CD1-CD1 4.12Å; Y262-L264 HydrophobicContact CE1-CD1 4.43Å; Y262-L264 PolarHBondContact O-N 3.16Å; L264-N266 HydrophobicContact CB-CB 4.23Å; L264-N266 PolarHBondContact O-N 3.13Å; L264-H267 PolarHBondContact O-N 2.75Å
265A61.1Low79Confident80 Ų8045 Ų4566%0.66126%0.255SS*.G310 helixtrans-59.2-9.2176.800000114.3H267 Q268A265-H267 PolarHBondContact O-N 2.73Å; A265-Q268 PolarHBondContact O-N 3.01Å
266N64Low79Confident123 Ų12345.3 Ų45.366%0.65826%0.258SS*.G310 helixtrans-53.2-31.1171.7-56.713.6000113L264L264-N266 HydrophobicContact CB-CB 4.23Å; L264-N266 PolarHBondContact O-N 3.13Å
267H70.8Confident78.9Confident30 Ų3046 Ų4614%0.13926%0.262CS..G310 helixtrans-105.219.9-170.9-56.4-175000113.1N151 N153 C155 D260 L264 A265N151-H267 PolarHBondContact OD1-CE1 3.2Å; N151-H267 PolarHBondContact OD1-ND1 3.48Å; N153-H267 PolarHBondContact O-CE1 2.65Å; C155-H267 PolarHBondContact SG-O 3.4Å; C155-H267 VanDerWaalsContact SG-O 3.41Å; D260-H267 HydrophobicContact CB-CB 4.36Å; D260-H267 VanDerWaalsContact OD1-CB 3.3Å; D260-H267 WeakPolarHBondContact OD1-CB 3.39Å; D260-H267 WeakPolarHBondContact OD2-CB 3.25Å; D260-H267 IonicContact OD2-CG 3.43Å; D260-H267 IonicContact OD2-ND1 2.64Å; D260-H267 PolarHBondContact OD2-ND1 3.14Å; L264-H267 PolarHBondContact O-N 2.75Å; A265-H267 PolarHBondContact O-N 2.73Å
268Q83.1Confident78.7Confident68 Ų6850.3 Ų50.332%0.31828%0.282SS..EExtended strand (participates in β ladder)trans-97.5146.9169-67.2-172.2-14.200111.3A258 D259 A265A258-Q268 VanDerWaalsContact O-CA 3.31Å; A258-Q268 WeakPolarHBondContact O-CA 3.43Å; D259-Q268 HydrophobicContact CB-CG 4.03Å; D259-Q268 WeakPolarHBondContact OD2-CG 3.35Å; D259-Q268 PolarHBondContact OD2-NE2 2.77Å; A265-Q268 PolarHBondContact O-N 3.01Å
269C84.7Confident78.5Confident9 Ų955.4 Ų55.46%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-129.3155.5178.849.60000112.1C155 F157 I257 A258C155-C269 VanDerWaalsContact C-SG 3.58Å; C155-C269 HydrophobicContact CB-CB 4.29Å; C155-C269 WeakPolarHBondContact CB-SG 3.28Å; C155-C269 WeakPolarHBondContact O-CB 3.21Å; C155-C269 WeakPolarHBondContact SG-CB 3.43Å; C155-C269 PolarHBondContact SG-N 2.82Å; C155-C269 CovalentContact SG-SG 2.05Å; C155-C269 PolarHBondContact SG-SG 2.97Å; F157-C269 HydrophobicContact CD2-CB 4.12Å; F157-C269 HydrophobicContact CE2-CB 4.37Å; I257-C269 CarbonylContact C-O 3.57Å; I257-C269 WeakPolarHBondContact CA-O 3.36Å; A258-C269 PolarHBondContact N-O 2.82Å; A258-C269 PolarHBondContact O-N 3.38Å
270H88.4Confident78Confident79 Ų7957.7 Ų57.737%0.36633%0.326SS..EExtended strand (participates in β ladder)trans-137.7155.1-168.1-51.7-51.9000114F157 N161 I256F157-H270 WeakPolarHBondContact CD2-O 3.09Å; N161-H270 WeakPolarHBondContact CB-O 3.08Å; I256-H270 CarbonylContact O-C 3.59Å; I256-H270 VanDerWaalsContact O-CA 3.3Å; I256-H270 WeakPolarHBondContact O-CA 3.07Å
271L89.6Confident78Confident0 Ų060.3 Ų60.30%034%0.34CS..EExtended strand (participates in β ladder)trans-138.8129.7-179.3175.262.6000112.6F157 N161 Q163 L180 N181 Q255 I256F157-L271 HydrophobicContact CD2-CB 4.08Å; F157-L271 HydrophobicContact CE2-CB 4.16Å; F157-L271 HydrophobicContact CG-CB 4.34Å; F157-L271 HydrophobicContact CZ-CB 4.48Å; N161-L271 CarbonylContact O-C 3.38Å; N161-L271 WeakPolarHBondContact O-CA 3.46Å; Q163-L271 HydrophobicContact CB-CD1 4.43Å; L180-L271 HydrophobicContact CB-CD2 4.18Å; L180-L271 HydrophobicContact CD2-CD2 4.11Å; N181-L271 HydrophobicContact CB-CD1 4.39Å; N181-L271 HydrophobicContact CB-CD2 4.22Å; Q255-L271 CarbonylContact C-O 3.36Å; Q255-L271 WeakPolarHBondContact CA-O 3.39Å; Q255-L271 WeakPolarHBondContact CG-O 3.36Å; I256-L271 HydrophobicContact CB-CB 4.31Å; I256-L271 PolarHBondContact N-O 3.28Å; I256-L271 PolarHBondContact O-N 2.98Å
272N89.8Confident78.2Confident55 Ų5562.7 Ų62.729%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-100.9144.3-179.1-60.8-23.3000113.3N161 E162 Q163 Q255N161-N272 PolarHBondContact O-N 2.86Å; E162-N272 HydrophobicContact CG-CB 4.22Å; E162-N272 PolarHBondContact OE1-ND2 3.2Å; Q163-N272 PolarHBondContact N-O 3.29Å; Q255-N272 VanDerWaalsContact CG-OD1 3.3Å; Q255-N272 WeakPolarHBondContact CG-OD1 3.32Å; Q255-N272 PolarHBondContact NE2-OD1 3.45Å
273V86.5Confident78.5Confident2 Ų261.2 Ų61.21%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-137.1143.3-177.5-166.30000114.5Q163 I165 T253 F254Q163-V273 WeakPolarHBondContact O-CA 3.46Å; I165-V273 HydrophobicContact CD1-CG1 3.7Å; I165-V273 HydrophobicContact CG1-CG1 4.3Å; T253-V273 WeakPolarHBondContact CA-O 3.32Å; F254-V273 HydrophobicContact CD1-CB 4.26Å; F254-V273 HydrophobicContact CD2-CB 4.21Å; F254-V273 HydrophobicContact CD2-CG2 4.35Å; F254-V273 HydrophobicContact CE1-CB 3.87Å; F254-V273 HydrophobicContact CE1-CG1 3.73Å; F254-V273 HydrophobicContact CE2-CB 3.79Å; F254-V273 HydrophobicContact CE2-CG1 4.19Å; F254-V273 HydrophobicContact CE2-CG2 3.77Å; F254-V273 HydrophobicContact CG-CB 4.41Å; F254-V273 HydrophobicContact CZ-CB 3.59Å; F254-V273 HydrophobicContact CZ-CG1 3.5Å; F254-V273 VanDerWaalsContact CZ-CG1 3.5Å; F254-V273 HydrophobicContact CZ-CG2 3.95Å; F254-V273 PolarHBondContact N-O 3.46Å; F254-V273 PolarHBondContact O-N 2.72Å
274T88.2Confident78.9Confident48 Ų4859.2 Ų59.229%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-146.8149.1-174.6-62.80000114.4Q163 I165 T253Q163-T274 PolarHBondContact O-N 3.31Å; I165-T274 PolarHBondContact N-O 3.1Å; T253-T274 HydrophobicContact CG2-CG2 3.92Å
275I85.7Confident79.9Confident1 Ų155 Ų551%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-142.1146.7-169-73.5156.7000113.8I165 I167 F218 L251 Y252 F254I165-I275 HydrophobicContact CB-CG1 4.08Å; I165-I275 HydrophobicContact CG2-CG1 4.48Å; I165-I275 WeakPolarHBondContact O-CA 3.28Å; I167-I275 HydrophobicContact CB-CG2 3.92Å; I167-I275 HydrophobicContact CD1-CB 4.34Å; I167-I275 HydrophobicContact CD1-CD1 3.85Å; I167-I275 HydrophobicContact CD1-CG1 3.66Å; I167-I275 HydrophobicContact CD1-CG2 3.75Å; I167-I275 HydrophobicContact CG1-CG1 4.18Å; I167-I275 HydrophobicContact CG1-CG2 3.83Å; F218-I275 HydrophobicContact CE1-CD1 4.02Å; F218-I275 HydrophobicContact CE2-CD1 3.6Å; F218-I275 HydrophobicContact CZ-CD1 3.24Å; L251-I275 WeakPolarHBondContact CD1-O 3.39Å; Y252-I275 HydrophobicContact CD2-CG2 4.03Å; Y252-I275 HydrophobicContact CG-CG2 4.48Å; Y252-I275 PolarHBondContact N-O 2.67Å; Y252-I275 VanDerWaalsContact N-O 3.13Å; Y252-I275 PolarHBondContact O-N 3.16Å; F254-I275 HydrophobicContact CE1-CD1 4.22Å
276L87.2Confident81Confident62 Ų6259.4 Ų59.433%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-146.8146.6-170.6-79.5156.8000114.8R166 I167 L251R166-L276 HydrophobicContact CG-CB 4.43Å; R166-L276 HydrophobicContact CG-CD1 4.49Å; I167-L276 CarbonylContact C-O 3.5Å; I167-L276 VanDerWaalsContact C-O 3.23Å; I167-L276 PolarHBondContact N-O 2.89Å; I167-L276 CarbonylContact O-C 3.6Å; L251-L276 HydrophobicContact CD1-CD2 3.4Å; L251-L276 VanDerWaalsContact CD1-CD2 3.4Å; L251-L276 HydrophobicContact CD1-CG 3.96Å
277V85.9Confident82Confident15 Ų1554.1 Ų54.19%0.09127%0.269CS..  trans-124.5157.5-174.2-1690000113.3E169 L244 K250E169-V277 HydrophobicContact CB-CG1 3.74Å; L244-V277 HydrophobicContact CD1-CG2 3.72Å; K250-V277 HydrophobicContact CB-CB 4.2Å; K250-V277 PolarHBondContact O-N 3.11Å
278E82.8Confident82.5Confident106 Ų10658.1 Ų58.150%0.49529%0.288SS..  trans-140.1171.3-169-53.5-169.7120.900113.9R166 Y246R166-E278 IonicContact CZ-OE1 2.88Å; R166-E278 VanDerWaalsContact NH1-CD 3.32Å; R166-E278 IonicContact NH1-OE1 3.76Å; R166-E278 PolarHBondContact NH1-OE1 2.98Å; R166-E278 IonicContact NH1-OE2 2.67Å; R166-E278 PolarHBondContact NH1-OE2 3.36Å; Y246-E278 VanDerWaalsContact CD2-C 3.42Å; Y246-E278 WeakPolarHBondContact CD2-O 3.13Å
279D81.4Confident82.4Confident106 Ų10659.8 Ų59.857%0.56730%0.296SS*.  trans-97.8154.6-162-158.7-16.1000116Y246Y246-D279 HydrophobicContact CD1-CB 4.34Å; Y246-D279 HydrophobicContact CD2-CB 4.37Å; Y246-D279 HydrophobicContact CE1-CB 3.7Å; Y246-D279 WeakPolarHBondContact CE1-OD1 3.4Å; Y246-D279 WeakPolarHBondContact CE1-OD2 3.4Å; Y246-D279 HydrophobicContact CE2-CB 3.72Å; Y246-D279 WeakPolarHBondContact OH-CB 3.17Å; Y246-D279 PolarHBondContact OH-OD2 2.78Å
280C71.6Confident82Confident68 Ų6863.9 Ų63.946%0.45933%0.325SS..  trans-138.7162.4-172.2-67.80000113.8E169E169-C280 PolarHBondContact OE1-SG 2.95Å; E169-C280 VanDerWaalsContact OE1-SG 3.33Å
281N75.3Confident81.8Confident57 Ų5764.2 Ų64.231%0.30533%0.327SS..  trans-94.8116.1171.2-165.743.8000109.1N319 E387N281-N319 PolarHBondContact OD1-ND2 3.01Å; N281-E387 VanDerWaalsContact ND2-CD 3.3Å; N281-E387 PolarHBondContact ND2-OE2 2.66Å
282D72.6Confident81.6Confident79 Ų7966 Ų6642%0.42233%0.334SS..  trans-124.3-5.7-161.372.4-33.9000116.5
283H75Confident81.4Confident83 Ų8368.6 Ų68.638%0.38435%0.347SS..  trans-114.6179.9178.2-63.472000113.3E314 D315H283-E314 IonicContact CD2-OE2 4Å; H283-D315 WeakPolarHBondContact CA-OD2 3.23Å; H283-D315 VanDerWaalsContact CB-OD2 3.24Å; H283-D315 WeakPolarHBondContact CB-OD2 3.22Å
284M71Confident81.5Confident82 Ų8270 Ų7040%0.40436%0.356SS..  trans-162.7145.4-163.3-174171.579.200116.6
285P82.9Confident81.5Confident1 Ų173 Ų731%0.00637%0.37CS..  trans-66.5163170.8-23.737.1000116.8I312 N370 E387 S389P285-I312 CarbonylContact C-O 3.46Å; P285-I312 WeakPolarHBondContact CA-O 3.2Å; P285-I312 WeakPolarHBondContact CB-O 3.21Å; P285-N370 VanDerWaalsContact CG-ND2 3.3Å; P285-N370 WeakPolarHBondContact CG-ND2 3.38Å; P285-E387 WeakPolarHBondContact CD-O 3.45Å; P285-S389 WeakPolarHBondContact O-CA 2.98Å; P285-S389 WeakPolarHBondContact O-CB 3.44Å; P285-S389 PolarHBondContact O-OG 2.77Å
286R84.2Confident81.7Confident174 Ų17473.6 Ų73.666%0.65737%0.373SS*.EExtended strand (participates in β ladder)trans-139.5126.4-167.1-133.4-174.775.4122.79.7117.5A311 I312 S389R286-A311 CarbonylContact O-C 3.47Å; R286-A311 WeakPolarHBondContact O-CA 3.49Å; R286-I312 PolarHBondContact N-O 2.81Å; R286-I312 WeakPolarHBondContact O-CG1 3.47Å; R286-I312 PolarHBondContact O-N 3.22Å; R286-S389 WeakPolarHBondContact CA-OG 3.41Å; R286-S389 PolarHBondContact N-OG 3.28Å
287F85.6Confident81.7Confident12 Ų1272.4 Ų72.45%0.05337%0.37CS..EExtended strand (participates in β ladder)trans-80.3162.3178.1-86.6-92.3000115.8L309 K310 A311 Y324 V366 A368 S389 T391F287-L309 HydrophobicContact CE1-CB 4.39Å; F287-K310 WeakPolarHBondContact CD1-O 2.91Å; F287-A311 HydrophobicContact CB-CB 4.48Å; F287-A311 HydrophobicContact CD1-CB 3.8Å; F287-A311 HydrophobicContact CD2-CB 4.13Å; F287-A311 HydrophobicContact CE1-CB 3.97Å; F287-A311 HydrophobicContact CE2-CB 4.32Å; F287-A311 HydrophobicContact CG-CB 3.84Å; F287-A311 HydrophobicContact CZ-CB 4.22Å; F287-Y324 HydrophobicContact CE1-CD1 4.1Å; F287-Y324 AromaticContact CE1-CE1 3.83Å; F287-Y324 HydrophobicContact CE1-CE1 3.83Å; F287-Y324 HydrophobicContact CZ-CD1 4.07Å; F287-Y324 HydrophobicContact CZ-CE1 4.13Å; F287-V366 WeakPolarHBondContact CE2-O 3.38Å; F287-V366 HydrophobicContact CZ-CB 4.49Å; F287-V366 HydrophobicContact CZ-CG1 4.13Å; F287-V366 WeakPolarHBondContact CZ-O 3.4Å; F287-A368 HydrophobicContact CD2-CB 4.38Å; F287-A368 HydrophobicContact CE2-CB 3.68Å; F287-A368 HydrophobicContact CZ-CB 3.74Å; F287-S389 VanDerWaalsContact CD2-CB 3.49Å; F287-S389 WeakPolarHBondContact CD2-OG 3.48Å; F287-S389 PolarHBondContact N-OG 2.65Å; F287-T391 HydrophobicContact CD1-CG2 3.42Å; F287-T391 VanDerWaalsContact CD1-CG2 3.42Å; F287-T391 HydrophobicContact CD2-CG2 4.07Å; F287-T391 HydrophobicContact CE1-CG2 3.35Å; F287-T391 HydrophobicContact CE2-CG2 3.96Å; F287-T391 VanDerWaalsContact CE2-N 3.32Å; F287-T391 VanDerWaalsContact CG-CB 3.46Å; F287-T391 HydrophobicContact CG-CG2 3.84Å; F287-T391 HydrophobicContact CZ-CG2 3.65Å
288E81.8Confident81.8Confident114 Ų11472.6 Ų72.653%0.53337%0.37SS..SBendtrans-68.3-46.8173.3-79.8-160.7143.300114K310E288-K310 VanDerWaalsContact CD-NZ 3.34Å; E288-K310 HydrophobicContact CG-CB 4.45Å; E288-K310 HydrophobicContact CG-CD 4.28Å; E288-K310 HydrophobicContact CG-CG 4.24Å; E288-K310 PolarHBondContact N-O 2.78Å; E288-K310 VanDerWaalsContact N-O 3.08Å; E288-K310 WeakPolarHBondContact OE1-CE 3.18Å; E288-K310 IonicContact OE1-NZ 2.64Å; E288-K310 PolarHBondContact OE1-NZ 3.45Å; E288-K310 IonicContact OE2-NZ 3.68Å
289Q80.1Confident82Confident103 Ų10372.7 Ų72.748%0.48137%0.374SS..  trans-118.8135.5170.9-67.5-173.3-24.100107.9M291 Y292 T391Q289-M291 PolarHBondContact O-N 3.15Å; Q289-Y292 HydrophobicContact CB-CD2 4.44Å; Q289-Y292 HydrophobicContact CB-CE2 3.79Å; Q289-T391 WeakPolarHBondContact O-CB 3.36Å; Q289-T391 PolarHBondContact O-OG1 3.34Å
290S77.1Confident82.3Confident95 Ų9568.7 Ų68.766%0.66435%0.353SS*.SBendtrans-70.6-20.5171.447.60000112.6Q392S290-Q392 PolarHBondContact O-N 3.49Å
291M83.2Confident83Confident85 Ų8571.5 Ų71.542%0.41936%0.363SS..EExtended strand (participates in β ladder)trans-153.1139.6-170.6-170176.9-7100113.6Q289 I293 Q392 I394Q289-M291 PolarHBondContact O-N 3.15Å; M291-I293 HydrophobicContact CG-CG1 4.4Å; M291-I293 HydrophobicContact SD-CD1 4.49Å; M291-Q392 CarbonylContact C-O 3.59Å; M291-Q392 VanDerWaalsContact CA-O 3.23Å; M291-Q392 WeakPolarHBondContact CA-O 3.23Å; M291-I394 HydrophobicContact CE-CD1 3.78Å; M291-I394 HydrophobicContact CG-CD1 3.9Å; M291-I394 HydrophobicContact CG-CG1 4.25Å; M291-I394 HydrophobicContact SD-CD1 3.51Å; M291-I394 VanDerWaalsContact SD-CD1 3.51Å; M291-I394 HydrophobicContact SD-CG1 4.48Å
292Y84.9Confident83.6Confident38 Ų3872.7 Ų72.715%0.14937%0.368CS..EExtended strand (participates in β ladder)trans-126.9155.8169.5-61.6-103.4000109.2Q289 I307 L309 T391 Q392 I393 I394Q289-Y292 HydrophobicContact CB-CD2 4.44Å; Q289-Y292 HydrophobicContact CB-CE2 3.79Å; Y292-I307 HydrophobicContact CD1-CD1 3.88Å; Y292-I307 HydrophobicContact CD1-CG1 4.46Å; Y292-I307 HydrophobicContact CG-CD1 4.09Å; Y292-L309 HydrophobicContact CD1-CD2 4.43Å; Y292-L309 HydrophobicContact CD2-CD2 3.5Å; Y292-L309 VanDerWaalsContact CD2-CD2 3.5Å; Y292-L309 HydrophobicContact CE1-CD2 4.17Å; Y292-L309 HydrophobicContact CE2-CD2 3.19Å; Y292-L309 HydrophobicContact CG-CD2 4.13Å; Y292-T391 WeakPolarHBondContact CE2-OG1 3.31Å; Y292-Q392 PolarHBondContact N-O 2.83Å; Y292-I393 HydrophobicContact CD2-CG1 4.38Å; Y292-I393 HydrophobicContact CG-CG1 4.49Å; Y292-I394 WeakPolarHBondContact O-CB 3.35Å; Y292-I394 PolarHBondContact O-N 2.86Å
293I87.3Confident84.3Confident109 Ų10974.1 Ų74.156%0.55938%0.376SS*.EExtended strand (participates in β ladder)trans-137.4136.6-178-48-178.4000111.6M291 I394 N396M291-I293 HydrophobicContact CG-CG1 4.4Å; M291-I293 HydrophobicContact SD-CD1 4.49Å; I293-I394 CarbonylContact C-O 3.23Å; I293-I394 WeakPolarHBondContact CA-O 3.17Å; I293-I394 HydrophobicContact CG1-CB 4.25Å; I293-I394 HydrophobicContact CG2-CB 4.36Å; I293-I394 HydrophobicContact CG2-CG2 4.2Å; I293-N396 VanDerWaalsContact CG2-ND2 3.35Å; I293-N396 WeakPolarHBondContact CG2-ND2 3.34Å
294V87.8Confident84.9Confident33 Ų3375.3 Ų75.320%0.238%0.381CS..EExtended strand (participates in β ladder)trans-140.6152.4179.1-172.20000109.3I296 I306 I307 I393 I394 V395 N396V294-I296 HydrophobicContact CG1-CD1 4.47Å; V294-I296 HydrophobicContact CG1-CG1 4.23Å; V294-I306 HydrophobicContact CB-CG2 4.38Å; V294-I306 HydrophobicContact CG1-CG2 4.17Å; V294-I306 HydrophobicContact CG2-CG2 4.13Å; V294-I307 HydrophobicContact CG2-CD1 3.82Å; V294-I393 HydrophobicContact CG2-CG2 4.41Å; V294-I394 PolarHBondContact N-O 2.88Å; V294-V395 HydrophobicContact CB-CG1 4.49Å; V294-V395 HydrophobicContact CB-CG2 4.45Å; V294-V395 CarbonylContact O-C 3.54Å; V294-V395 WeakPolarHBondContact O-CA 3.43Å; V294-N396 PolarHBondContact O-N 2.86Å; V294-N396 PolarHBondContact O-ND2 2.76Å
295N89Confident85.8Confident111 Ų11176.9 Ų76.959%0.59439%0.391SS*.EExtended strand (participates in β ladder)trans-124.9136.1175.6-65.18.5000111N396N295-N396 CarbonylContact C-O 3.46Å; N295-N396 WeakPolarHBondContact CA-O 3.47Å; N295-N396 PolarHBondContact OD1-ND2 3.31Å
296I88.9Confident86.1Confident13 Ų1378 Ų787%0.06740%0.396CS..  trans-142.4152.4-174.4-56.8-171.7000109.4V294 T300 I306 L354 V395 N396 V397 I398V294-I296 HydrophobicContact CG1-CD1 4.47Å; V294-I296 HydrophobicContact CG1-CG1 4.23Å; I296-T300 HydrophobicContact CG2-CG2 3.84Å; I296-T300 WeakPolarHBondContact CG2-OG1 3.49Å; I296-I306 HydrophobicContact CD1-CD1 3.47Å; I296-I306 VanDerWaalsContact CD1-CD1 3.47Å; I296-I306 HydrophobicContact CD1-CG1 4.47Å; I296-L354 HydrophobicContact CB-CD1 4.4Å; I296-L354 HydrophobicContact CG2-CD1 3.91Å; I296-V395 HydrophobicContact CB-CG1 4.28Å; I296-V395 HydrophobicContact CD1-CG1 3.35Å; I296-V395 HydrophobicContact CG1-CG1 3.68Å; I296-N396 PolarHBondContact N-O 2.78Å; I296-V397 CarbonylContact O-C 3.28Å; I296-V397 VanDerWaalsContact O-C 3.27Å; I296-V397 VanDerWaalsContact O-CA 3.23Å; I296-V397 WeakPolarHBondContact O-CA 3.44Å; I296-I398 WeakPolarHBondContact O-CG1 3.39Å; I296-I398 PolarHBondContact O-N 3.47Å
297S87.8Confident86.3Confident36 Ų3671.5 Ų71.525%0.25237%0.374SS..  trans-92.2147.1174.3-169.70000111.1D299 T300S297-D299 WeakPolarHBondContact CB-OD1 3.36Å; S297-D299 PolarHBondContact O-N 3.12Å; S297-D299 PolarHBondContact OG-OD1 3.33Å; S297-T300 PolarHBondContact N-OG1 2.67Å; S297-T300 WeakPolarHBondContact O-CB 3.44Å; S297-T300 PolarHBondContact O-N 2.85Å; S297-T300 VanDerWaalsContact O-N 3.11Å; S297-T300 PolarHBondContact O-OG1 3.45Å
298E87.5Confident86.6Confident20 Ų2075.8 Ų75.89%0.09339%0.393CS..THydrogen-bonded Turntrans-64-30.4-175.868.9-170.6120.800114T300 L354 Y356 V397 I398 D399 V400E298-T300 PolarHBondContact O-N 3.18Å; E298-T300 VanDerWaalsContact O-N 3.12Å; E298-L354 HydrophobicContact CB-CB 4.4Å; E298-L354 PolarHBondContact O-N 2.78Å; E298-Y356 WeakPolarHBondContact OE1-CB 3.15Å; E298-Y356 WeakPolarHBondContact OE2-CB 3.24Å; E298-Y356 PolarHBondContact OE2-N 2.68Å; E298-V397 HydrophobicContact CB-CG1 3.57Å; E298-I398 PolarHBondContact N-O 3.11Å; E298-D399 WeakPolarHBondContact OE1-CA 3.35Å; E298-V400 HydrophobicContact CG-CB 4.49Å; E298-V400 HydrophobicContact CG-CG2 4.02Å; E298-V400 WeakPolarHBondContact OE1-CB 3.48Å; E298-V400 PolarHBondContact OE1-N 2.83Å
299D86.2Confident86.9Confident108 Ų10871.3 Ų71.358%0.57837%0.372SS*.THydrogen-bonded Turntrans-74.58.7175.772.7-34.4000115S297S297-D299 WeakPolarHBondContact CB-OD1 3.36Å; S297-D299 PolarHBondContact O-N 3.12Å; S297-D299 PolarHBondContact OG-OD1 3.33Å
300T87.8Confident87.3Confident21 Ų2171.3 Ų71.313%0.12937%0.371CS..PPolyproline II helixtrans-63.1147.6-177-63.40000113.6I296 S297 E298 L350I296-T300 HydrophobicContact CG2-CG2 3.84Å; I296-T300 WeakPolarHBondContact CG2-OG1 3.49Å; S297-T300 PolarHBondContact N-OG1 2.67Å; S297-T300 WeakPolarHBondContact O-CB 3.44Å; S297-T300 PolarHBondContact O-N 2.85Å; S297-T300 VanDerWaalsContact O-N 3.11Å; S297-T300 PolarHBondContact O-OG1 3.45Å; E298-T300 PolarHBondContact O-N 3.18Å; E298-T300 VanDerWaalsContact O-N 3.12Å; T300-L350 HydrophobicContact CG2-CD2 3.98Å
301L86.9Confident87.7Confident127 Ų12767.6 Ų67.667%0.66535%0.345SS*.PPolyproline II helixtrans-80.6140.8-178.8-58.1179.3000113.1L350L301-L350 WeakPolarHBondContact O-CD2 3.36Å
302I88.6Confident87.7Confident83 Ų8368 Ų6843%0.42635%0.348SS..THydrogen-bonded Turntrans-60.4155.5179.5-63.7169.7000112.1Q304 R351I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.24Å; I302-R351 WeakPolarHBondContact CG2-O 3.35Å
303D86.3Confident87.8Confident109 Ų10969.1 Ų69.158%0.58336%0.357SS*.THydrogen-bonded Turntrans69.58.6-178.4-81.9-57.2000116.7L350D303-L350 WeakPolarHBondContact CA-O 3.35Å; D303-L350 PolarHBondContact N-O 3.14Å
304Q88.5Confident87.6Confident107 Ų10771.2 Ų71.250%0.536%0.364SS..  trans-73.5139.7174.8-166.7168-61.300112.8I302 K349 L350I302-Q304 VanDerWaalsContact C-N 3.31Å; I302-Q304 PolarHBondContact O-N 3.24Å; Q304-K349 CarbonylContact O-C 3.53Å; Q304-K349 VanDerWaalsContact O-CA 3.32Å; Q304-K349 WeakPolarHBondContact O-CA 3.07Å; Q304-K349 WeakPolarHBondContact O-CB 3.37Å; Q304-L350 PolarHBondContact O-N 2.88Å
305I89Confident87.3Confident116 Ų11671.4 Ų71.460%0.59536%0.364SS*.EExtended strand (participates in β ladder)trans-76.8144-179.1-61.7168.7000111.9K349I305-K349 HydrophobicContact CB-CG 4.45Å; I305-K349 HydrophobicContact CG1-CD 3.86Å; I305-K349 HydrophobicContact CG1-CG 3.98Å
306I89.1Confident86.8Confident24 Ų2472.4 Ų72.412%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-113.1-68.1-179.7-43.1-48.9000113.6V294 I296 F339 I348 L350 V395V294-I306 HydrophobicContact CB-CG2 4.38Å; V294-I306 HydrophobicContact CG1-CG2 4.17Å; V294-I306 HydrophobicContact CG2-CG2 4.13Å; I296-I306 HydrophobicContact CD1-CD1 3.47Å; I296-I306 VanDerWaalsContact CD1-CD1 3.47Å; I296-I306 HydrophobicContact CD1-CG1 4.47Å; I306-F339 HydrophobicContact CD1-CE1 4.17Å; I306-F339 HydrophobicContact CG1-CD1 3.83Å; I306-F339 HydrophobicContact CG1-CE1 3.81Å; I306-I348 HydrophobicContact CB-CG2 4.07Å; I306-I348 HydrophobicContact CG1-CG2 4.21Å; I306-I348 PolarHBondContact N-O 2.89Å; I306-L350 HydrophobicContact CD1-CB 4.36Å; I306-V395 HydrophobicContact CG2-CG2 3.87Å
307I89.7Confident86.2Confident37 Ų3780.7 Ų80.719%0.1940%0.397CS..EExtended strand (participates in β ladder)trans-163.5-176.2-168.6-158152.4000115.9Y292 V294 E347 I348 I393Y292-I307 HydrophobicContact CD1-CD1 3.88Å; Y292-I307 HydrophobicContact CD1-CG1 4.46Å; Y292-I307 HydrophobicContact CG-CD1 4.09Å; V294-I307 HydrophobicContact CG2-CD1 3.82Å; I307-E347 WeakPolarHBondContact O-CA 3.36Å; I307-I348 HydrophobicContact CG2-CB 4.35Å; I307-I348 HydrophobicContact CG2-CD1 4.07Å; I307-I348 PolarHBondContact O-N 2.89Å; I307-I393 HydrophobicContact CD1-CG2 4.41Å; I307-I393 HydrophobicContact CG2-CB 4.35Å; I307-I393 HydrophobicContact CG2-CD1 3.31Å; I307-I393 HydrophobicContact CG2-CG1 3.74Å; I307-I393 HydrophobicContact CG2-CG2 3.78Å
308K90.4Very high85.6Confident103 Ų10383 Ų8345%0.44840%0.404SS..  trans-154.3152-175.3-159.9170.8-168.4158.80115.3T345 G346 E347K308-T345 WeakPolarHBondContact CE-O 3.06Å; K308-G346 WeakPolarHBondContact CA-O 3.36Å; K308-E347 HydrophobicContact CD-CG 3.61Å; K308-E347 HydrophobicContact CG-CG 3.91Å; K308-E347 IonicContact NZ-OE1 3.53Å; K308-E347 PolarHBondContact NZ-OE1 2.82Å
309L89.5Confident84.8Confident19 Ų1985.1 Ų85.110%0.09942%0.416CS..  trans-144.2175.7-159.6-57.7176.2000119.7F287 Y292 I348 V366 T391 I393F287-L309 HydrophobicContact CE1-CB 4.39Å; Y292-L309 HydrophobicContact CD1-CD2 4.43Å; Y292-L309 HydrophobicContact CD2-CD2 3.5Å; Y292-L309 VanDerWaalsContact CD2-CD2 3.5Å; Y292-L309 HydrophobicContact CE1-CD2 4.17Å; Y292-L309 HydrophobicContact CE2-CD2 3.19Å; Y292-L309 HydrophobicContact CG-CD2 4.13Å; L309-I348 HydrophobicContact CD1-CD1 4.39Å; L309-V366 HydrophobicContact CD1-CB 3.36Å; L309-V366 HydrophobicContact CD1-CG1 3.53Å; L309-V366 HydrophobicContact CD1-CG2 3.38Å; L309-T391 HydrophobicContact CD1-CG2 3.72Å; L309-T391 HydrophobicContact CD2-CG2 3.94Å; L309-T391 HydrophobicContact CG-CG2 4.33Å; L309-I393 HydrophobicContact CD1-CD1 3.74Å; L309-I393 HydrophobicContact CD1-CG1 4.44Å; L309-I393 HydrophobicContact CD2-CD1 4.02Å; L309-I393 HydrophobicContact CD2-CG1 4Å; L309-I393 HydrophobicContact CG-CD1 4.16Å
310K87.9Confident84.4Confident104 Ų10481.2 Ų81.245%0.45240%0.402SS..  trans-169.1145.7179.9-179.8177158.7-151.30119.9F287 E288 Y324F287-K310 WeakPolarHBondContact CD1-O 2.91Å; E288-K310 VanDerWaalsContact CD-NZ 3.34Å; E288-K310 HydrophobicContact CG-CB 4.45Å; E288-K310 HydrophobicContact CG-CD 4.28Å; E288-K310 HydrophobicContact CG-CG 4.24Å; E288-K310 PolarHBondContact N-O 2.78Å; E288-K310 VanDerWaalsContact N-O 3.08Å; E288-K310 WeakPolarHBondContact OE1-CE 3.18Å; E288-K310 IonicContact OE1-NZ 2.64Å; E288-K310 PolarHBondContact OE1-NZ 3.45Å; E288-K310 IonicContact OE2-NZ 3.68Å; K310-Y324 WeakPolarHBondContact CA-OH 3.48Å
311A85.5Confident84Confident16 Ų1685.1 Ų85.113%0.13242%0.417CS..EExtended strand (participates in β ladder)trans-143.9-173.5-176.300000121.2R286 F287 I322 Y324 A368R286-A311 CarbonylContact O-C 3.47Å; R286-A311 WeakPolarHBondContact O-CA 3.49Å; F287-A311 HydrophobicContact CB-CB 4.48Å; F287-A311 HydrophobicContact CD1-CB 3.8Å; F287-A311 HydrophobicContact CD2-CB 4.13Å; F287-A311 HydrophobicContact CE1-CB 3.97Å; F287-A311 HydrophobicContact CE2-CB 4.32Å; F287-A311 HydrophobicContact CG-CB 3.84Å; F287-A311 HydrophobicContact CZ-CB 4.22Å; A311-I322 HydrophobicContact CB-CD1 4.19Å; A311-Y324 HydrophobicContact CB-CE1 4.14Å; A311-Y324 PolarHBondContact N-OH 2.98Å; A311-A368 HydrophobicContact CB-CB 3.3Å
312I83.4Confident83.9Confident94 Ų9481.4 Ų81.448%0.48240%0.397SS..EExtended strand (participates in β ladder)trans-152.4-179.1-172.2-26175.4000113.2P285 R286 I322P285-I312 CarbonylContact C-O 3.46Å; P285-I312 WeakPolarHBondContact CA-O 3.2Å; P285-I312 WeakPolarHBondContact CB-O 3.21Å; R286-I312 PolarHBondContact N-O 2.81Å; R286-I312 WeakPolarHBondContact O-CG1 3.47Å; R286-I312 PolarHBondContact O-N 3.22Å; I312-I322 VanDerWaalsContact CA-CD1 3.5Å; I312-I322 VanDerWaalsContact N-CD1 3.33Å
313D85.8Confident83.7Confident62 Ų6280.6 Ų80.633%0.33239%0.393SS..  trans-138.3170.2-166.1-53.8-85.9000117.6K321 I322D313-K321 WeakPolarHBondContact OD1-CA 3.17Å; D313-K321 PolarHBondContact OD1-N 3.41Å; D313-K321 VanDerWaalsContact OD1-O 3.07Å; D313-I322 WeakPolarHBondContact OD1-CG1 3.29Å; D313-I322 WeakPolarHBondContact OD2-CD1 3.33Å; D313-I322 WeakPolarHBondContact OD2-CG1 3.33Å
314E83.4Confident83.7Confident153 Ų15377.3 Ų77.372%0.71537%0.372SS*.  trans-147.1-31.5167.7-140.4172-89.700121.4H283H283-E314 IonicContact CD2-OE2 4Å
315D82.2Confident83.4Confident37 Ų3773.7 Ų73.720%0.19836%0.359CS..SBendtrans-69.7173.8-175.8-99-63.5000118H283 N319H283-D315 WeakPolarHBondContact CA-OD2 3.23Å; H283-D315 VanDerWaalsContact CB-OD2 3.24Å; H283-D315 WeakPolarHBondContact CB-OD2 3.22Å; D315-N319 HydrophobicContact CB-CB 3.46Å; D315-N319 VanDerWaalsContact CB-CB 3.46Å; D315-N319 WeakPolarHBondContact CB-O 3.2Å
316E78.8Confident82.8Confident131 Ų13168.6 Ų68.661%0.61233%0.333SS*.SBendtrans-83.7128177.2-132.8-170.3168.500115.4
317Y76.5Confident81.7Confident187 Ų18768 Ų6873%0.73333%0.329SS*.G310 helixtrans62.5-118.4174.7-51.9-70.7000117.4N319 G320Y317-N319 PolarHBondContact O-N 2.59Å; Y317-G320 PolarHBondContact O-N 2.79Å
318E74.5Confident80Confident84 Ų8470.2 Ų70.239%0.39335%0.348SS..G310 helixtrans-68.8-14.7-173.8-65.7-80.4-146.500111.8G320 N370 N373E318-G320 PolarHBondContact O-N 2.78Å; E318-N370 WeakPolarHBondContact O-CB 3.3Å; E318-N373 HydrophobicContact CB-CB 4.22Å; E318-N373 HydrophobicContact CG-CB 3.9Å; E318-N373 WeakPolarHBondContact OE1-CB 3.43Å; E318-N373 PolarHBondContact OE1-ND2 3.3Å
319N71.4Confident78.1Confident65 Ų6570.5 Ų70.535%0.34835%0.347SS..G310 helixtrans-761.3171.2-57.717.5000112.5N281 D315 Y317 N370N281-N319 PolarHBondContact OD1-ND2 3.01Å; D315-N319 HydrophobicContact CB-CB 3.46Å; D315-N319 VanDerWaalsContact CB-CB 3.46Å; D315-N319 WeakPolarHBondContact CB-O 3.2Å; Y317-N319 PolarHBondContact O-N 2.59Å; N319-N370 VanDerWaalsContact C-CG 3.4Å; N319-N370 PolarHBondContact O-ND2 2.64Å; N319-N370 PolarHBondContact O-OD1 2.79Å
320G76.8Confident76Confident27 Ų2770.9 Ų70.928%0.27835%0.351SS..SBendtrans-137.957-16900000117.7Y317 E318Y317-G320 PolarHBondContact O-N 2.79Å; E318-G320 PolarHBondContact O-N 2.78Å
321K79.6Confident74Confident103 Ų10373.5 Ų73.545%0.44837%0.37SS..  trans-141.5174.9178.6-178.5-175.4147.6-153.20110.3D313 K369 N370 P371D313-K321 WeakPolarHBondContact OD1-CA 3.17Å; D313-K321 PolarHBondContact OD1-N 3.41Å; D313-K321 VanDerWaalsContact OD1-O 3.07Å; K321-K369 CarbonylContact O-C 3.59Å; K321-N370 PolarHBondContact N-ND2 3.15Å; K321-N370 VanDerWaalsContact N-ND2 3.1Å; K321-N370 WeakPolarHBondContact O-CA 3.19Å; K321-N370 PolarHBondContact O-N 3.39Å; K321-N370 PolarHBondContact O-ND2 3.47Å; K321-P371 VanDerWaalsContact C-CD 3.45Å; K321-P371 VanDerWaalsContact CB-CD 3.49Å; K321-P371 HydrophobicContact CD-CB 4.47Å; K321-P371 HydrophobicContact CD-CG 4.22Å; K321-P371 VanDerWaalsContact CG-CD 3.4Å; K321-P371 HydrophobicContact CG-CG 3.96Å; K321-P371 PolarHBondContact NZ-O 3.42Å
322I85.4Confident72.3Confident49 Ų4975.3 Ų75.325%0.25138%0.377SS..  trans-132.3136.2-175.9-52.6-177.4000116.2A311 I312 D313 Y324 A368 K369 P371A311-I322 HydrophobicContact CB-CD1 4.19Å; I312-I322 VanDerWaalsContact CA-CD1 3.5Å; I312-I322 VanDerWaalsContact N-CD1 3.33Å; D313-I322 WeakPolarHBondContact OD1-CG1 3.29Å; D313-I322 WeakPolarHBondContact OD2-CD1 3.33Å; D313-I322 WeakPolarHBondContact OD2-CG1 3.33Å; I322-Y324 HydrophobicContact CG2-CE1 4.48Å; I322-A368 HydrophobicContact CG2-CB 3.51Å; I322-K369 CarbonylContact C-O 3.47Å; I322-K369 VanDerWaalsContact C-O 3.28Å; I322-K369 WeakPolarHBondContact CA-O 3.48Å; I322-P371 WeakPolarHBondContact O-CG 3.21Å
323I84.1Confident70.8Confident65 Ų6577.3 Ų77.333%0.33339%0.387SS..EExtended strand (participates in β ladder)trans-126.7143160-99.3176.4000108.5A368 K369 P371I323-A368 VanDerWaalsContact O-CA 3.29Å; I323-A368 WeakPolarHBondContact O-CA 3.38Å; I323-K369 HydrophobicContact CB-CG 4.03Å; I323-K369 HydrophobicContact CG2-CG 3.89Å; I323-K369 PolarHBondContact N-O 2.76Å; I323-K369 PolarHBondContact O-N 3.11Å; I323-P371 HydrophobicContact CB-CB 4.41Å; I323-P371 HydrophobicContact CB-CG 3.84Å; I323-P371 HydrophobicContact CD1-CB 3.63Å; I323-P371 HydrophobicContact CD1-CG 3.96Å; I323-P371 HydrophobicContact CG1-CB 3.87Å; I323-P371 HydrophobicContact CG1-CG 3.59Å
324Y86.9Confident69.5Low40 Ų4076.4 Ų76.416%0.15738%0.382CS..EExtended strand (participates in β ladder)trans-88.8134164-55.2-74.1000111.8F287 K310 A311 I322 S343 V366 F367 A368F287-Y324 HydrophobicContact CE1-CD1 4.1Å; F287-Y324 AromaticContact CE1-CE1 3.83Å; F287-Y324 HydrophobicContact CE1-CE1 3.83Å; F287-Y324 HydrophobicContact CZ-CD1 4.07Å; F287-Y324 HydrophobicContact CZ-CE1 4.13Å; K310-Y324 WeakPolarHBondContact CA-OH 3.48Å; A311-Y324 HydrophobicContact CB-CE1 4.14Å; A311-Y324 PolarHBondContact N-OH 2.98Å; I322-Y324 HydrophobicContact CG2-CE1 4.48Å; Y324-S343 WeakPolarHBondContact CB-O 3.06Å; Y324-S343 PolarHBondContact N-O 3.36Å; Y324-S343 WeakPolarHBondContact O-CA 3.44Å; Y324-S343 WeakPolarHBondContact O-CB 3.46Å; Y324-V366 HydrophobicContact CD1-CG1 4.45Å; Y324-F367 VanDerWaalsContact CA-O 3.31Å; Y324-F367 WeakPolarHBondContact CA-O 3.41Å; Y324-A368 HydrophobicContact CD1-CB 4.43Å; Y324-A368 HydrophobicContact CE1-CB 4.27Å
325S81.1Confident68.7Low32 Ų3269.6 Ų69.622%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-148.3158.7165.669.40000110.3V366 F367S325-V366 WeakPolarHBondContact O-CA 3.43Å; S325-F367 PolarHBondContact N-O 2.98Å; S325-F367 PolarHBondContact O-N 2.88Å
326F77.8Confident68Low9 Ų971.9 Ų71.94%0.03936%0.36CS..EExtended strand (participates in β ladder)trans-62.9159.3149.4-71.6-36.8000107.9S328 E336 F339 I341 I348 L364 V366F326-S328 PolarHBondContact O-N 3.23Å; F326-E336 HydrophobicContact CB-CG 4.43Å; F326-E336 HydrophobicContact CD2-CG 4.29Å; F326-F339 HydrophobicContact CE2-CB 4.02Å; F326-F339 HydrophobicContact CZ-CB 4.1Å; F326-I341 HydrophobicContact CB-CG2 4.26Å; F326-I341 HydrophobicContact CD1-CB 4.26Å; F326-I341 HydrophobicContact CD1-CD1 4.48Å; F326-I341 HydrophobicContact CD1-CG2 4.09Å; F326-I341 HydrophobicContact CD2-CB 4.04Å; F326-I341 HydrophobicContact CD2-CG2 3.67Å; F326-I341 HydrophobicContact CE1-CB 4.02Å; F326-I341 HydrophobicContact CE1-CD1 4.34Å; F326-I341 HydrophobicContact CE1-CG2 4.35Å; F326-I341 HydrophobicContact CE2-CB 3.85Å; F326-I341 HydrophobicContact CE2-CG2 4.03Å; F326-I341 HydrophobicContact CG-CB 4.24Å; F326-I341 HydrophobicContact CG-CG2 3.7Å; F326-I341 HydrophobicContact CZ-CB 3.82Å; F326-I341 HydrophobicContact CZ-CG2 4.34Å; F326-I348 HydrophobicContact CE1-CD1 3.65Å; F326-I348 HydrophobicContact CE1-CG1 4.06Å; F326-I348 HydrophobicContact CZ-CD1 3.85Å; F326-I348 HydrophobicContact CZ-CG1 3.79Å; F326-I348 HydrophobicContact CZ-CG2 3.94Å; F326-L364 HydrophobicContact CD1-CB 4.46Å; F326-L364 HydrophobicContact CE1-CB 3.77Å; F326-L364 HydrophobicContact CE1-CD1 4.28Å; F326-L364 HydrophobicContact CZ-CB 4.38Å; F326-L364 HydrophobicContact CZ-CD1 4.12Å; F326-V366 HydrophobicContact CD1-CG2 3.63Å; F326-V366 HydrophobicContact CE1-CG2 3.61Å
327N64.3Low67.9Low10 Ų1070.1 Ų70.15%0.05335%0.35CS..  trans-68.6128.1174.5-144.8-12.9000109.4Y329 T330 F367N327-Y329 VanDerWaalsContact CG-C 3.48Å; N327-Y329 VanDerWaalsContact CG-N 3.32Å; N327-Y329 PolarHBondContact O-N 2.71Å; N327-Y329 PolarHBondContact OD1-N 2.97Å; N327-Y329 VanDerWaalsContact OD1-N 3.07Å; N327-T330 HydrophobicContact CB-CG2 4.32Å; N327-T330 WeakPolarHBondContact CB-OG1 3.21Å; N327-T330 VanDerWaalsContact CG-N 3.31Å; N327-T330 VanDerWaalsContact ND2-CG2 3.28Å; N327-T330 WeakPolarHBondContact ND2-CG2 3.36Å; N327-T330 PolarHBondContact ND2-N 3.36Å; N327-T330 VanDerWaalsContact ND2-N 3.14Å; N327-F367 HydrophobicContact CB-CD2 3.57Å; N327-F367 HydrophobicContact CB-CE2 3.29Å; N327-F367 HydrophobicContact CB-CZ 3.98Å; N327-F367 VanDerWaalsContact ND2-CZ 3.28Å; N327-F367 WeakPolarHBondContact ND2-CZ 3.39Å
328S54.5Low68.3Low84 Ų8461.7 Ų61.759%0.58732%0.318SS*.THydrogen-bonded Turntrans-71.1-4.9157.944.40000112.2F326F326-S328 PolarHBondContact O-N 3.23Å
329Y50.6Low69Low109 Ų10957.7 Ų57.743%0.42730%0.299SS..THydrogen-bonded Turntrans-135.122.2-172-56.1-51.6000116.3N327 S381 I384 I385N327-Y329 VanDerWaalsContact CG-C 3.48Å; N327-Y329 VanDerWaalsContact CG-N 3.32Å; N327-Y329 PolarHBondContact O-N 2.71Å; N327-Y329 PolarHBondContact OD1-N 2.97Å; N327-Y329 VanDerWaalsContact OD1-N 3.07Å; Y329-S381 VanDerWaalsContact CG-CB 3.49Å; Y329-I384 HydrophobicContact CE2-CD1 4.36Å; Y329-I385 WeakPolarHBondContact O-CD1 3.34Å
330T45.1Very low69.9Low28 Ų2858.4 Ų58.417%0.17230%0.297CS..SBendtrans-110132.4155.443.10000106.6N327 D332 K365 F367N327-T330 HydrophobicContact CB-CG2 4.32Å; N327-T330 WeakPolarHBondContact CB-OG1 3.21Å; N327-T330 VanDerWaalsContact CG-N 3.31Å; N327-T330 VanDerWaalsContact ND2-CG2 3.28Å; N327-T330 WeakPolarHBondContact ND2-CG2 3.36Å; N327-T330 PolarHBondContact ND2-N 3.36Å; N327-T330 VanDerWaalsContact ND2-N 3.14Å; T330-D332 CarbonylContact O-C 3.47Å; T330-D332 PolarHBondContact O-N 2.86Å; T330-K365 HydrophobicContact CG2-CD 3.86Å; T330-F367 HydrophobicContact CG2-CZ 4.49Å
331D45.7Very low70.5Confident158 Ų15858.7 Ų58.785%0.84529%0.292SS*.SBendtrans-66.3-3-150.4-51.5-87.3000115.6I333D331-I333 PolarHBondContact O-N 3.38Å
332D49.6Very low70.8Confident54 Ų5457.1 Ų57.129%0.28929%0.289SS..  trans-70.566.5163-57.6-70.8000112.5T330 D334 E335 K359T330-D332 CarbonylContact O-C 3.47Å; T330-D332 PolarHBondContact O-N 2.86Å; D332-D334 PolarHBondContact O-N 2.82Å; D332-D334 VanDerWaalsContact O-N 3.14Å; D332-E335 HydrophobicContact CB-CB 3.88Å; D332-E335 HydrophobicContact CB-CG 3.53Å; D332-E335 PolarHBondContact O-N 3.43Å; D332-K359 IonicContact OD1-NZ 3.41Å; D332-K359 PolarHBondContact OD1-NZ 2.97Å; D332-K359 IonicContact OD2-NZ 3.47Å; D332-K359 PolarHBondContact OD2-NZ 3.05Å
333I53.6Low70.9Confident137 Ų13757.7 Ų57.770%0.70330%0.297SS*.THydrogen-bonded Turntrans-50.2-27.6148.4-56.9173.3000109.1D331 E336 K337D331-I333 PolarHBondContact O-N 3.38Å; I333-E336 PolarHBondContact O-N 3.06Å; I333-K337 PolarHBondContact O-N 3.05Å
334D58.7Low70.9Confident42 Ų4261 Ų6123%0.22532%0.315CS..THydrogen-bonded Turntrans-68.6-24.5170.6-78.818.4000114.6D332 K337 F338 Q358D332-D334 PolarHBondContact O-N 2.82Å; D332-D334 VanDerWaalsContact O-N 3.14Å; D334-K337 HydrophobicContact CB-CD 4.19Å; D334-K337 CarbonylContact O-C 3.56Å; D334-K337 WeakPolarHBondContact O-CA 2.98Å; D334-K337 WeakPolarHBondContact O-CB 3.35Å; D334-K337 PolarHBondContact O-N 2.84Å; D334-K337 VanDerWaalsContact O-N 3.15Å; D334-K337 WeakPolarHBondContact OD1-CD 3.16Å; D334-K337 WeakPolarHBondContact OD1-CE 3.44Å; D334-K337 IonicContact OD1-NZ 2.69Å; D334-K337 PolarHBondContact OD1-NZ 3.14Å; D334-K337 IonicContact OD2-NZ 3.22Å; D334-K337 PolarHBondContact OD2-NZ 2.92Å; D334-F338 HydrophobicContact CB-CD2 4.23Å; D334-F338 HydrophobicContact CB-CE2 3.88Å; D334-F338 WeakPolarHBondContact O-CD2 3.34Å; D334-F338 WeakPolarHBondContact O-CG 3.05Å; D334-F338 PolarHBondContact O-N 2.82Å; D334-Q358 PolarHBondContact OD2-NE2 2.84Å
335E65.1Low70.9Confident10 Ų1062 Ų625%0.04733%0.325CS..Hα-helixtrans-72.2-35.3170-73-40.617900111.8D332 K337 F338 F339 K359 H362 V363 L364D332-E335 HydrophobicContact CB-CB 3.88Å; D332-E335 HydrophobicContact CB-CG 3.53Å; D332-E335 PolarHBondContact O-N 3.43Å; E335-K337 PolarHBondContact O-N 2.84Å; E335-F338 PolarHBondContact O-N 3.37Å; E335-F339 CarbonylContact O-C 3.58Å; E335-F339 WeakPolarHBondContact O-CA 3.45Å; E335-F339 PolarHBondContact O-N 2.85Å; E335-F339 WeakPolarHBondContact OE2-CD2 3.49Å; E335-F339 WeakPolarHBondContact OE2-CE2 3.18Å; E335-K359 WeakPolarHBondContact OE1-CD 3.33Å; E335-K359 VanDerWaalsContact OE1-CE 3.26Å; E335-K359 WeakPolarHBondContact OE1-CE 3.34Å; E335-K359 IonicContact OE1-NZ 3.69Å; E335-K359 PolarHBondContact OE1-NZ 2.53Å; E335-H362 WeakPolarHBondContact OE1-CA 3.16Å; E335-H362 WeakPolarHBondContact OE1-CB 3.21Å; E335-H362 IonicContact OE1-CG 3.38Å; E335-H362 IonicContact OE1-ND1 2.73Å; E335-H362 PolarHBondContact OE1-ND1 2.75Å; E335-H362 WeakPolarHBondContact OE2-CB 3.33Å; E335-H362 IonicContact OE2-CE1 3.64Å; E335-H362 IonicContact OE2-CG 2.88Å; E335-H362 IonicContact OE2-ND1 2.69Å; E335-H362 PolarHBondContact OE2-ND1 2.69Å; E335-V363 PolarHBondContact OE1-N 3.4Å; E335-L364 HydrophobicContact CB-CD2 4.03Å; E335-L364 HydrophobicContact CG-CD2 3.61Å; E335-L364 WeakPolarHBondContact OE2-CD2 3.04Å
336E67.2Low71.1Confident85 Ų8560.4 Ų60.440%0.39732%0.315SS..Hα-helixtrans-69.8-15.3170.1-64.6-156.6156.300112.3F326 I333 F339 R351F326-E336 HydrophobicContact CB-CG 4.43Å; F326-E336 HydrophobicContact CD2-CG 4.29Å; I333-E336 PolarHBondContact O-N 3.06Å; E336-F339 CarbonylContact C-O 3.56Å; E336-F339 VanDerWaalsContact C-O 3.28Å; E336-F339 WeakPolarHBondContact CA-O 3.35Å; E336-R351 WeakPolarHBondContact O-CD 3.28Å; E336-R351 PolarHBondContact O-NH1 3.22Å
337K77.6Confident71.8Confident94 Ų9463.5 Ų63.541%0.40933%0.329SS..Hα-helixtrans-86.1-39.5175.8-164.9-175.2-178.5-174.80110.4I333 D334 E335 R351 N352I333-K337 PolarHBondContact O-N 3.05Å; D334-K337 HydrophobicContact CB-CD 4.19Å; D334-K337 CarbonylContact O-C 3.56Å; D334-K337 WeakPolarHBondContact O-CA 2.98Å; D334-K337 WeakPolarHBondContact O-CB 3.35Å; D334-K337 PolarHBondContact O-N 2.84Å; D334-K337 VanDerWaalsContact O-N 3.15Å; D334-K337 WeakPolarHBondContact OD1-CD 3.16Å; D334-K337 WeakPolarHBondContact OD1-CE 3.44Å; D334-K337 IonicContact OD1-NZ 2.69Å; D334-K337 PolarHBondContact OD1-NZ 3.14Å; D334-K337 IonicContact OD2-NZ 3.22Å; D334-K337 PolarHBondContact OD2-NZ 2.92Å; E335-K337 PolarHBondContact O-N 2.84Å; K337-R351 WeakPolarHBondContact O-CB 3.4Å; K337-N352 WeakPolarHBondContact O-CB 3.46Å; K337-N352 PolarHBondContact O-ND2 3.27Å
338F85.2Confident73.1Confident11 Ų1163 Ų635%0.04833%0.327CS..Hα-helixtrans-86.6-25.3178-63.3-54.6000113.7D334 E335 L350 R351 N352 R353 L354 H362D334-F338 HydrophobicContact CB-CD2 4.23Å; D334-F338 HydrophobicContact CB-CE2 3.88Å; D334-F338 WeakPolarHBondContact O-CD2 3.34Å; D334-F338 WeakPolarHBondContact O-CG 3.05Å; D334-F338 PolarHBondContact O-N 2.82Å; E335-F338 PolarHBondContact O-N 3.37Å; F338-L350 CarbonylContact O-C 3.58Å; F338-L350 WeakPolarHBondContact O-CA 3.46Å; F338-L350 WeakPolarHBondContact O-CD1 3.08Å; F338-R351 PolarHBondContact O-N 2.79Å; F338-N352 HydrophobicContact CD1-CB 3.96Å; F338-N352 HydrophobicContact CE1-CB 4.45Å; F338-R353 WeakPolarHBondContact CD1-O 3.18Å; F338-R353 WeakPolarHBondContact CE1-O 3.46Å; F338-L354 HydrophobicContact CB-CD2 3.88Å; F338-L354 HydrophobicContact CD1-CD2 3.92Å; F338-L354 HydrophobicContact CG-CD2 3.97Å; F338-H362 AromaticContact CD2-CE1 3.35Å; F338-H362 WeakPolarHBondContact CD2-CE1 3.02Å; F338-H362 AromaticContact CD2-ND1 3.72Å; F338-H362 AromaticContact CE2-CE1 3.78Å; F338-H362 AromaticContact CG-CE1 3.82Å
339F89.3Confident74.8Confident0 Ų061.8 Ų61.80%031%0.311CS..EExtended strand (participates in β ladder)trans-139.7170-179.3-54.6-88.2000112I306 F326 E335 E336 I348 K349 L350 L354 H362 L364 V395I306-F339 HydrophobicContact CD1-CE1 4.17Å; I306-F339 HydrophobicContact CG1-CD1 3.83Å; I306-F339 HydrophobicContact CG1-CE1 3.81Å; F326-F339 HydrophobicContact CE2-CB 4.02Å; F326-F339 HydrophobicContact CZ-CB 4.1Å; E335-F339 CarbonylContact O-C 3.58Å; E335-F339 WeakPolarHBondContact O-CA 3.45Å; E335-F339 PolarHBondContact O-N 2.85Å; E335-F339 WeakPolarHBondContact OE2-CD2 3.49Å; E335-F339 WeakPolarHBondContact OE2-CE2 3.18Å; E336-F339 CarbonylContact C-O 3.56Å; E336-F339 VanDerWaalsContact C-O 3.28Å; E336-F339 WeakPolarHBondContact CA-O 3.35Å; F339-I348 HydrophobicContact CB-CG2 4.19Å; F339-I348 HydrophobicContact CD1-CG2 4.26Å; F339-K349 CarbonylContact C-O 3.48Å; F339-K349 WeakPolarHBondContact CA-O 3.48Å; F339-K349 WeakPolarHBondContact CB-O 3.39Å; F339-L350 HydrophobicContact CD1-CD1 4.04Å; F339-L350 HydrophobicContact CE1-CD1 3.51Å; F339-L350 HydrophobicContact CZ-CD1 3.84Å; F339-L354 HydrophobicContact CE2-CD2 4.24Å; F339-L354 HydrophobicContact CZ-CD2 4.02Å; F339-H362 HydrophobicContact CE2-CB 3.63Å; F339-H362 AromaticContact CE2-CG 3.55Å; F339-H362 AromaticContact CE2-ND1 3.59Å; F339-H362 HydrophobicContact CZ-CB 4.09Å; F339-L364 HydrophobicContact CB-CD1 4.36Å; F339-L364 HydrophobicContact CD1-CD1 4.16Å; F339-L364 HydrophobicContact CD2-CD1 4.13Å; F339-L364 HydrophobicContact CD2-CD2 3.49Å; F339-L364 VanDerWaalsContact CD2-CD2 3.49Å; F339-L364 HydrophobicContact CD2-CG 4.45Å; F339-L364 HydrophobicContact CE2-CD2 3.85Å; F339-L364 HydrophobicContact CG-CD1 3.94Å; F339-L364 HydrophobicContact CG-CD2 4.09Å; F339-V395 HydrophobicContact CZ-CB 4.49Å; F339-V395 HydrophobicContact CZ-CG1 4.23Å
340Y89.4Confident76.6Confident80 Ų8056.6 Ų56.631%0.31429%0.29SS..EExtended strand (participates in β ladder)trans-141150.8163.964.7-90.3000110.9I348 K349 R351Y340-I348 VanDerWaalsContact O-CA 3.29Å; Y340-I348 WeakPolarHBondContact O-CA 3.13Å; Y340-K349 HydrophobicContact CD1-CB 4.43Å; Y340-K349 HydrophobicContact CE1-CB 3.92Å; Y340-K349 HydrophobicContact CE2-CD 4.24Å; Y340-K349 HydrophobicContact CE2-CG 4.42Å; Y340-K349 PolarHBondContact N-O 3.25Å; Y340-K349 PolarHBondContact O-N 3.34Å; Y340-K349 WeakPolarHBondContact OH-CD 3.45Å; Y340-K349 PolarHBondContact OH-NZ 2.85Å; Y340-R351 HydrophobicContact CD1-CB 4.26Å
341I90.3Very high78.6Confident32 Ų3261.4 Ų61.416%0.16431%0.305CS..EExtended strand (participates in β ladder)trans-115.7145.4176-168.9169.6000111.7F326 E347 I348 V366F326-I341 HydrophobicContact CB-CG2 4.26Å; F326-I341 HydrophobicContact CD1-CB 4.26Å; F326-I341 HydrophobicContact CD1-CD1 4.48Å; F326-I341 HydrophobicContact CD1-CG2 4.09Å; F326-I341 HydrophobicContact CD2-CB 4.04Å; F326-I341 HydrophobicContact CD2-CG2 3.67Å; F326-I341 HydrophobicContact CE1-CB 4.02Å; F326-I341 HydrophobicContact CE1-CD1 4.34Å; F326-I341 HydrophobicContact CE1-CG2 4.35Å; F326-I341 HydrophobicContact CE2-CB 3.85Å; F326-I341 HydrophobicContact CE2-CG2 4.03Å; F326-I341 HydrophobicContact CG-CB 4.24Å; F326-I341 HydrophobicContact CG-CG2 3.7Å; F326-I341 HydrophobicContact CZ-CB 3.82Å; F326-I341 HydrophobicContact CZ-CG2 4.34Å; I341-E347 CarbonylContact C-O 3.58Å; I341-E347 VanDerWaalsContact CA-O 3.28Å; I341-E347 WeakPolarHBondContact CA-O 3.31Å; I341-I348 HydrophobicContact CB-CG1 3.86Å; I341-I348 HydrophobicContact CD1-CD1 4.03Å; I341-I348 HydrophobicContact CD1-CG1 4.03Å; I341-I348 HydrophobicContact CG1-CD1 4.29Å; I341-I348 HydrophobicContact CG1-CG1 3.73Å; I341-V366 HydrophobicContact CD1-CB 4.29Å; I341-V366 HydrophobicContact CD1-CG1 3.55Å; I341-V366 HydrophobicContact CD1-CG2 3.67Å
342D86.4Confident80.4Confident71 Ų7157.2 Ų57.238%0.3828%0.283SS..  trans-85.3118.9166.6-177.8-78.7000110.4D344 T345 G346 E347D342-D344 PolarHBondContact O-N 2.94Å; D342-D344 PolarHBondContact OD1-N 3.27Å; D342-T345 VanDerWaalsContact OD1-CB 3.3Å; D342-T345 WeakPolarHBondContact OD1-CB 3.38Å; D342-T345 WeakPolarHBondContact OD1-CG2 3.07Å; D342-T345 PolarHBondContact OD1-N 2.9Å; D342-T345 PolarHBondContact OD1-OG1 2.64Å; D342-G346 VanDerWaalsContact O-CA 3.27Å; D342-G346 WeakPolarHBondContact O-CA 3.47Å; D342-G346 PolarHBondContact O-N 2.02Å; D342-E347 HydrophobicContact CB-CB 4.39Å; D342-E347 PolarHBondContact N-O 3.45Å
343S85.7Confident82.1Confident60 Ų6062.8 Ų62.842%0.4230%0.3SS..THydrogen-bonded Turntrans-65.9-20.9-169.955.70000115.4Y324Y324-S343 WeakPolarHBondContact CB-O 3.06Å; Y324-S343 PolarHBondContact N-O 3.36Å; Y324-S343 WeakPolarHBondContact O-CA 3.44Å; Y324-S343 WeakPolarHBondContact O-CB 3.46Å
344D84.1Confident83.7Confident134 Ų13456.8 Ų56.872%0.71727%0.269SS*.THydrogen-bonded Turntrans-107.7-28.4-169-63.814.3000110.8D342D342-D344 PolarHBondContact O-N 2.94Å; D342-D344 PolarHBondContact OD1-N 3.27Å
345T86.9Confident84.8Confident61 Ų6157 Ų5737%0.37427%0.27SS..THydrogen-bonded Turntrans-114.3-14.7-178.572.10000114.6K308 D342K308-T345 WeakPolarHBondContact CE-O 3.06Å; D342-T345 VanDerWaalsContact OD1-CB 3.3Å; D342-T345 WeakPolarHBondContact OD1-CB 3.38Å; D342-T345 WeakPolarHBondContact OD1-CG2 3.07Å; D342-T345 PolarHBondContact OD1-N 2.9Å; D342-T345 PolarHBondContact OD1-OG1 2.64Å
346G87.1Confident85.7Confident0 Ų058.4 Ų58.40%028%0.275CS..  trans74.116.7176.800000115.9K308 D342K308-G346 WeakPolarHBondContact CA-O 3.36Å; D342-G346 VanDerWaalsContact O-CA 3.27Å; D342-G346 WeakPolarHBondContact O-CA 3.47Å; D342-G346 PolarHBondContact O-N 2.02Å
347E92.1Very high86Confident74 Ų7458.2 Ų58.235%0.34627%0.271SS..  trans-77.2140.9178.1-72.5-171.8-17200113.3I307 K308 I341 D342I307-E347 WeakPolarHBondContact O-CA 3.36Å; K308-E347 HydrophobicContact CD-CG 3.61Å; K308-E347 HydrophobicContact CG-CG 3.91Å; K308-E347 IonicContact NZ-OE1 3.53Å; K308-E347 PolarHBondContact NZ-OE1 2.82Å; I341-E347 CarbonylContact C-O 3.58Å; I341-E347 VanDerWaalsContact CA-O 3.28Å; I341-E347 WeakPolarHBondContact CA-O 3.31Å; D342-E347 HydrophobicContact CB-CB 4.39Å; D342-E347 PolarHBondContact N-O 3.45Å
348I90.3Very high85.9Confident0 Ų058.5 Ų58.50%027%0.274CS..EExtended strand (participates in β ladder)trans-126.5140-175.6-67.4163.2000112.9I306 I307 L309 F326 F339 Y340 I341 L364 V366 I393I306-I348 HydrophobicContact CB-CG2 4.07Å; I306-I348 HydrophobicContact CG1-CG2 4.21Å; I306-I348 PolarHBondContact N-O 2.89Å; I307-I348 HydrophobicContact CG2-CB 4.35Å; I307-I348 HydrophobicContact CG2-CD1 4.07Å; I307-I348 PolarHBondContact O-N 2.89Å; L309-I348 HydrophobicContact CD1-CD1 4.39Å; F326-I348 HydrophobicContact CE1-CD1 3.65Å; F326-I348 HydrophobicContact CE1-CG1 4.06Å; F326-I348 HydrophobicContact CZ-CD1 3.85Å; F326-I348 HydrophobicContact CZ-CG1 3.79Å; F326-I348 HydrophobicContact CZ-CG2 3.94Å; F339-I348 HydrophobicContact CB-CG2 4.19Å; F339-I348 HydrophobicContact CD1-CG2 4.26Å; Y340-I348 VanDerWaalsContact O-CA 3.29Å; Y340-I348 WeakPolarHBondContact O-CA 3.13Å; I341-I348 HydrophobicContact CB-CG1 3.86Å; I341-I348 HydrophobicContact CD1-CD1 4.03Å; I341-I348 HydrophobicContact CD1-CG1 4.03Å; I341-I348 HydrophobicContact CG1-CD1 4.29Å; I341-I348 HydrophobicContact CG1-CG1 3.73Å; I348-L364 HydrophobicContact CD1-CD1 4.4Å; I348-L364 HydrophobicContact CG2-CD1 3.74Å; I348-V366 HydrophobicContact CD1-CG2 4.02Å; I348-I393 HydrophobicContact CD1-CD1 3.16Å
349K90.1Very high85.4Confident57 Ų5759.4 Ų59.425%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-142.8158179.4-43-174.4-148.9142.30112.5Q304 I305 F339 Y340Q304-K349 CarbonylContact O-C 3.53Å; Q304-K349 VanDerWaalsContact O-CA 3.32Å; Q304-K349 WeakPolarHBondContact O-CA 3.07Å; Q304-K349 WeakPolarHBondContact O-CB 3.37Å; I305-K349 HydrophobicContact CB-CG 4.45Å; I305-K349 HydrophobicContact CG1-CD 3.86Å; I305-K349 HydrophobicContact CG1-CG 3.98Å; F339-K349 CarbonylContact C-O 3.48Å; F339-K349 WeakPolarHBondContact CA-O 3.48Å; F339-K349 WeakPolarHBondContact CB-O 3.39Å; Y340-K349 HydrophobicContact CD1-CB 4.43Å; Y340-K349 HydrophobicContact CE1-CB 3.92Å; Y340-K349 HydrophobicContact CE2-CD 4.24Å; Y340-K349 HydrophobicContact CE2-CG 4.42Å; Y340-K349 PolarHBondContact N-O 3.25Å; Y340-K349 PolarHBondContact O-N 3.34Å; Y340-K349 WeakPolarHBondContact OH-CD 3.45Å; Y340-K349 PolarHBondContact OH-NZ 2.85Å
350L90.3Very high85Confident0 Ų062.1 Ų62.10%030%0.296CS..EExtended strand (participates in β ladder)trans-75139.6178-166.476.8000112.2T300 L301 D303 Q304 I306 F338 F339 N352 L354T300-L350 HydrophobicContact CG2-CD2 3.98Å; L301-L350 WeakPolarHBondContact O-CD2 3.36Å; D303-L350 WeakPolarHBondContact CA-O 3.35Å; D303-L350 PolarHBondContact N-O 3.14Å; Q304-L350 PolarHBondContact O-N 2.88Å; I306-L350 HydrophobicContact CD1-CB 4.36Å; F338-L350 CarbonylContact O-C 3.58Å; F338-L350 WeakPolarHBondContact O-CA 3.46Å; F338-L350 WeakPolarHBondContact O-CD1 3.08Å; F339-L350 HydrophobicContact CD1-CD1 4.04Å; F339-L350 HydrophobicContact CE1-CD1 3.51Å; F339-L350 HydrophobicContact CZ-CD1 3.84Å; L350-N352 WeakPolarHBondContact CG-O 3.24Å; L350-L354 HydrophobicContact CD1-CD1 4.19Å; L350-L354 HydrophobicContact CD1-CD2 3.54Å; L350-L354 HydrophobicContact CD1-CG 3.93Å
351R85.7Confident84.7Confident130 Ų13062 Ų6249%0.49130%0.298SS..  trans-122.5-28-173.1-172-175.4-173171.13.4113.9I302 E336 K337 F338 Y340I302-R351 WeakPolarHBondContact CG2-O 3.35Å; E336-R351 WeakPolarHBondContact O-CD 3.28Å; E336-R351 PolarHBondContact O-NH1 3.22Å; K337-R351 WeakPolarHBondContact O-CB 3.4Å; F338-R351 PolarHBondContact O-N 2.79Å; Y340-R351 HydrophobicContact CD1-CB 4.26Å
352N84.9Confident84.3Confident69 Ų6960.5 Ų60.537%0.36929%0.29SS..SBendtrans-138.6167.5173.8-87.9-65.5000110.4K337 F338 L350K337-N352 WeakPolarHBondContact O-CB 3.46Å; K337-N352 PolarHBondContact O-ND2 3.27Å; F338-N352 HydrophobicContact CD1-CB 3.96Å; F338-N352 HydrophobicContact CE1-CB 4.45Å; L350-N352 WeakPolarHBondContact CG-O 3.24Å
353R85.2Confident84Confident172 Ų17258.8 Ų58.865%0.64928%0.282SS*.  trans-59.9149.2166.7-72.1-176.2171.7-154.4-6.4110.2F338F338-R353 WeakPolarHBondContact CD1-O 3.18Å; F338-R353 WeakPolarHBondContact CE1-O 3.46Å
354L86.3Confident83.9Confident11 Ų1156 Ų566%0.05826%0.262CS..  trans-92.2167.4174.3-51179.6000109.5I296 E298 F338 F339 L350 V397I296-L354 HydrophobicContact CB-CD1 4.4Å; I296-L354 HydrophobicContact CG2-CD1 3.91Å; E298-L354 HydrophobicContact CB-CB 4.4Å; E298-L354 PolarHBondContact O-N 2.78Å; F338-L354 HydrophobicContact CB-CD2 3.88Å; F338-L354 HydrophobicContact CD1-CD2 3.92Å; F338-L354 HydrophobicContact CG-CD2 3.97Å; F339-L354 HydrophobicContact CE2-CD2 4.24Å; F339-L354 HydrophobicContact CZ-CD2 4.02Å; L350-L354 HydrophobicContact CD1-CD1 4.19Å; L350-L354 HydrophobicContact CD1-CD2 3.54Å; L350-L354 HydrophobicContact CD1-CG 3.93Å; L354-V397 HydrophobicContact CB-CG1 4.31Å; L354-V397 HydrophobicContact CD1-CG1 4.43Å; L354-V397 HydrophobicContact CD1-CG2 4.01Å
355D82.3Confident83.6Confident46 Ų4653.1 Ų53.125%0.24624%0.244CC..  trans-140.2117172164.9-24.1000104.9R357 Q358 K359D355-R357 PolarHBondContact O-N 2.72Å; D355-R357 WeakPolarHBondContact OD1-CA 3.48Å; D355-R357 WeakPolarHBondContact OD1-CB 3.21Å; D355-R357 PolarHBondContact OD1-N 3.37Å; D355-Q358 HydrophobicContact CB-CB 3.76Å; D355-Q358 VanDerWaalsContact CG-CB 3.46Å; D355-Q358 PolarHBondContact O-N 3Å; D355-Q358 PolarHBondContact OD1-N 3.29Å; D355-K359 PolarHBondContact O-N 3.07Å
356Y82.6Confident83.3Confident40 Ų4050.2 Ų50.216%0.15723%0.226CC..THydrogen-bonded Turntrans-61.3-29.2-173.9177.7-85.5000111.8E298 K359 P360 V397 D399 T440E298-Y356 WeakPolarHBondContact OE1-CB 3.15Å; E298-Y356 WeakPolarHBondContact OE2-CB 3.24Å; E298-Y356 PolarHBondContact OE2-N 2.68Å; Y356-K359 CarbonylContact O-C 3.59Å; Y356-P360 HydrophobicContact CD1-CB 4.15Å; Y356-P360 HydrophobicContact CD2-CB 3.98Å; Y356-P360 HydrophobicContact CE1-CB 3.7Å; Y356-P360 HydrophobicContact CE2-CB 3.56Å; Y356-P360 HydrophobicContact CG-CB 4.25Å; Y356-P360 WeakPolarHBondContact O-CA 3.3Å; Y356-P360 WeakPolarHBondContact O-CB 3.39Å; Y356-P360 WeakPolarHBondContact O-CD 3.4Å; Y356-V397 HydrophobicContact CD2-CB 3.8Å; Y356-V397 HydrophobicContact CD2-CG1 4.01Å; Y356-V397 WeakPolarHBondContact CE2-O 3.06Å; Y356-D399 HydrophobicContact CD1-CB 3.68Å; Y356-D399 WeakPolarHBondContact CD1-OD1 3.23Å; Y356-D399 HydrophobicContact CD2-CB 3.84Å; Y356-D399 HydrophobicContact CE1-CB 3.89Å; Y356-D399 VanDerWaalsContact CE1-OD1 3.24Å; Y356-D399 WeakPolarHBondContact CE1-OD1 3.04Å; Y356-D399 HydrophobicContact CE2-CB 4Å; Y356-D399 HydrophobicContact CG-CB 3.69Å; Y356-T440 HydrophobicContact CE1-CG2 3.53Å; Y356-T440 VanDerWaalsContact CE1-OG1 3.23Å; Y356-T440 WeakPolarHBondContact CE1-OG1 3.27Å; Y356-T440 PolarHBondContact OH-OG1 2.95Å
357R74.4Confident83.1Confident81 Ų8150.2 Ų50.231%0.30623%0.226SC..THydrogen-bonded Turntrans-90.1-35.3-176.2-58.217760.8-104.8-6.3112.8D355 H403 G438 D439D355-R357 PolarHBondContact O-N 2.72Å; D355-R357 WeakPolarHBondContact OD1-CA 3.48Å; D355-R357 WeakPolarHBondContact OD1-CB 3.21Å; D355-R357 PolarHBondContact OD1-N 3.37Å; R357-H403 VanDerWaalsContact CD-CE1 3.44Å; R357-H403 WeakPolarHBondContact CD-CE1 2.92Å; R357-H403 WeakPolarHBondContact CD-ND1 3.23Å; R357-H403 PolarHBondContact NH1-CD2 2.71Å; R357-H403 PolarHBondContact NH1-CE1 3.35Å; R357-H403 VanDerWaalsContact NH1-CE1 3.34Å; R357-H403 PolarHBondContact NH1-NE2 3.27Å; R357-G438 WeakPolarHBondContact CD-O 3.3Å; R357-G438 PolarHBondContact NE-O 3.05Å; R357-D439 WeakPolarHBondContact CD-OD1 3.1Å
358Q75Confident82.5Confident100 Ų10046.7 Ų46.747%0.46721%0.209SC..THydrogen-bonded Turntrans-60.6-42.2167.1-175.8176.8-2.300109.2D334 D355D334-Q358 PolarHBondContact OD2-NE2 2.84Å; D355-Q358 HydrophobicContact CB-CB 3.76Å; D355-Q358 VanDerWaalsContact CG-CB 3.46Å; D355-Q358 PolarHBondContact O-N 3Å; D355-Q358 PolarHBondContact OD1-N 3.29Å
359K74.5Confident81.8Confident29 Ų2949.2 Ų49.213%0.12622%0.22CC..  trans-155.9102.4174-161.1149.8-160.9-172.80113.7D332 E335 D355 Y356 Q361 H362 V397D332-K359 IonicContact OD1-NZ 3.41Å; D332-K359 PolarHBondContact OD1-NZ 2.97Å; D332-K359 IonicContact OD2-NZ 3.47Å; D332-K359 PolarHBondContact OD2-NZ 3.05Å; E335-K359 WeakPolarHBondContact OE1-CD 3.33Å; E335-K359 VanDerWaalsContact OE1-CE 3.26Å; E335-K359 WeakPolarHBondContact OE1-CE 3.34Å; E335-K359 IonicContact OE1-NZ 3.69Å; E335-K359 PolarHBondContact OE1-NZ 2.53Å; D355-K359 PolarHBondContact O-N 3.07Å; Y356-K359 CarbonylContact O-C 3.59Å; K359-Q361 VanDerWaalsContact CE-O 3.29Å; K359-Q361 WeakPolarHBondContact CE-O 3.43Å; K359-Q361 WeakPolarHBondContact CG-O 3.36Å; K359-Q361 PolarHBondContact O-N 3.37Å; K359-H362 PolarHBondContact O-NE2 2.87Å; K359-V397 WeakPolarHBondContact O-CG2 3.27Å
360P81.6Confident81.3Confident58 Ų5847.6 Ų47.638%0.37721%0.214SC..SBendtrans-75.9-10.9-179.629.3-35.2000112.5Y356 V397Y356-P360 HydrophobicContact CD1-CB 4.15Å; Y356-P360 HydrophobicContact CD2-CB 3.98Å; Y356-P360 HydrophobicContact CE1-CB 3.7Å; Y356-P360 HydrophobicContact CE2-CB 3.56Å; Y356-P360 HydrophobicContact CG-CB 4.25Å; Y356-P360 WeakPolarHBondContact O-CA 3.3Å; Y356-P360 WeakPolarHBondContact O-CB 3.39Å; Y356-P360 WeakPolarHBondContact O-CD 3.4Å; P360-V397 PolarHBondContact O-N 2.62Å
361Q82.8Confident80.1Confident78 Ų7848.3 Ų48.336%0.36422%0.219SC..EExtended strand (participates in β ladder)trans-154.2106.6-176.3-176.1176.792.600108.6K359 V363 I394 V395 N396K359-Q361 VanDerWaalsContact CE-O 3.29Å; K359-Q361 WeakPolarHBondContact CE-O 3.43Å; K359-Q361 WeakPolarHBondContact CG-O 3.36Å; K359-Q361 PolarHBondContact O-N 3.37Å; Q361-V363 HydrophobicContact CG-CG2 3.97Å; Q361-V363 PolarHBondContact O-N 3.29Å; Q361-I394 VanDerWaalsContact CD-CG2 3.47Å; Q361-I394 HydrophobicContact CG-CG2 3.62Å; Q361-V395 CarbonylContact C-O 3.59Å; Q361-V395 WeakPolarHBondContact CA-O 3.33Å; Q361-N396 PolarHBondContact NE2-OD1 3.48Å
362H81.8Confident78.8Confident0 Ų046.4 Ų46.40%022%0.218CC..EExtended strand (participates in β ladder)trans-81.3108.5174.8-63.6-98.1000108.5E335 F338 F339 K359 L364 V395 V397E335-H362 WeakPolarHBondContact OE1-CA 3.16Å; E335-H362 WeakPolarHBondContact OE1-CB 3.21Å; E335-H362 IonicContact OE1-CG 3.38Å; E335-H362 IonicContact OE1-ND1 2.73Å; E335-H362 PolarHBondContact OE1-ND1 2.75Å; E335-H362 WeakPolarHBondContact OE2-CB 3.33Å; E335-H362 IonicContact OE2-CE1 3.64Å; E335-H362 IonicContact OE2-CG 2.88Å; E335-H362 IonicContact OE2-ND1 2.69Å; E335-H362 PolarHBondContact OE2-ND1 2.69Å; F338-H362 AromaticContact CD2-CE1 3.35Å; F338-H362 WeakPolarHBondContact CD2-CE1 3.02Å; F338-H362 AromaticContact CD2-ND1 3.72Å; F338-H362 AromaticContact CE2-CE1 3.78Å; F338-H362 AromaticContact CG-CE1 3.82Å; F339-H362 HydrophobicContact CE2-CB 3.63Å; F339-H362 AromaticContact CE2-CG 3.55Å; F339-H362 AromaticContact CE2-ND1 3.59Å; F339-H362 HydrophobicContact CZ-CB 4.09Å; K359-H362 PolarHBondContact O-NE2 2.87Å; H362-L364 HydrophobicContact CB-CD2 3.98Å; H362-L364 PolarHBondContact O-N 3.12Å; H362-V395 HydrophobicContact CB-CB 4.15Å; H362-V395 PolarHBondContact N-O 3.14Å; H362-V395 PolarHBondContact O-N 2.85Å; H362-V397 WeakPolarHBondContact CD2-CG2 3.29Å
363V80.9Confident76.8Confident35 Ų3548.1 Ų48.121%0.21223%0.228CC..EExtended strand (participates in β ladder)trans-95.782.8-179-174.90000107.4E335 Q361 K365 Q392 I393E335-V363 PolarHBondContact OE1-N 3.4Å; Q361-V363 HydrophobicContact CG-CG2 3.97Å; Q361-V363 PolarHBondContact O-N 3.29Å; V363-K365 VanDerWaalsContact C-N 3.26Å; V363-K365 HydrophobicContact CG1-CG 4.34Å; V363-K365 PolarHBondContact O-N 2.91Å; V363-Q392 HydrophobicContact CG1-CB 4.16Å; V363-Q392 HydrophobicContact CG1-CG 4.35Å; V363-I393 CarbonylContact C-O 3.56Å; V363-I393 WeakPolarHBondContact CA-O 3.42Å
364L82.5Confident74.5Confident1 Ų145.1 Ų45.11%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-71.488.8179.8-39-179.7000108F326 E335 F339 I348 H362 V366 I393 V395F326-L364 HydrophobicContact CD1-CB 4.46Å; F326-L364 HydrophobicContact CE1-CB 3.77Å; F326-L364 HydrophobicContact CE1-CD1 4.28Å; F326-L364 HydrophobicContact CZ-CB 4.38Å; F326-L364 HydrophobicContact CZ-CD1 4.12Å; E335-L364 HydrophobicContact CB-CD2 4.03Å; E335-L364 HydrophobicContact CG-CD2 3.61Å; E335-L364 WeakPolarHBondContact OE2-CD2 3.04Å; F339-L364 HydrophobicContact CB-CD1 4.36Å; F339-L364 HydrophobicContact CD1-CD1 4.16Å; F339-L364 HydrophobicContact CD2-CD1 4.13Å; F339-L364 HydrophobicContact CD2-CD2 3.49Å; F339-L364 VanDerWaalsContact CD2-CD2 3.49Å; F339-L364 HydrophobicContact CD2-CG 4.45Å; F339-L364 HydrophobicContact CE2-CD2 3.85Å; F339-L364 HydrophobicContact CG-CD1 3.94Å; F339-L364 HydrophobicContact CG-CD2 4.09Å; I348-L364 HydrophobicContact CD1-CD1 4.4Å; I348-L364 HydrophobicContact CG2-CD1 3.74Å; H362-L364 HydrophobicContact CB-CD2 3.98Å; H362-L364 PolarHBondContact O-N 3.12Å; L364-V366 PolarHBondContact O-N 2.83Å; L364-I393 HydrophobicContact CB-CB 4.11Å; L364-I393 HydrophobicContact CB-CD1 4.27Å; L364-I393 HydrophobicContact CG-CB 4.46Å; L364-I393 PolarHBondContact N-O 3.21Å; L364-I393 PolarHBondContact O-N 3.03Å; L364-V395 HydrophobicContact CD1-CG2 3.96Å; L364-V395 HydrophobicContact CG-CG2 4.24Å
365K78.1Confident72Confident74 Ų7449.8 Ų49.832%0.32226%0.258SS..EExtended strand (participates in β ladder)trans-69.8110.9169.2-67.6-179.1-179.21770107.3T330 V363 F367 V390 T391 Q392T330-K365 HydrophobicContact CG2-CD 3.86Å; V363-K365 VanDerWaalsContact C-N 3.26Å; V363-K365 HydrophobicContact CG1-CG 4.34Å; V363-K365 PolarHBondContact O-N 2.91Å; K365-F367 HydrophobicContact CB-CD2 4.37Å; K365-F367 HydrophobicContact CB-CE2 3.39Å; K365-F367 HydrophobicContact CB-CZ 3.88Å; K365-F367 HydrophobicContact CD-CE2 4.46Å; K365-F367 HydrophobicContact CD-CZ 4.2Å; K365-F367 WeakPolarHBondContact O-CD2 3.42Å; K365-F367 WeakPolarHBondContact O-CE2 3.32Å; K365-V390 HydrophobicContact CB-CG1 3.95Å; K365-V390 HydrophobicContact CD-CG1 4.3Å; K365-V390 HydrophobicContact CG-CG1 4.09Å; K365-T391 WeakPolarHBondContact CA-O 3.36Å; K365-Q392 HydrophobicContact CG-CG 4.37Å
366V80.9Confident69.9Low0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-101.2134.3172.5177.60000107.8F287 L309 Y324 S325 F326 I341 I348 L364 T391 I393F287-V366 WeakPolarHBondContact CE2-O 3.38Å; F287-V366 HydrophobicContact CZ-CB 4.49Å; F287-V366 HydrophobicContact CZ-CG1 4.13Å; F287-V366 WeakPolarHBondContact CZ-O 3.4Å; L309-V366 HydrophobicContact CD1-CB 3.36Å; L309-V366 HydrophobicContact CD1-CG1 3.53Å; L309-V366 HydrophobicContact CD1-CG2 3.38Å; Y324-V366 HydrophobicContact CD1-CG1 4.45Å; S325-V366 WeakPolarHBondContact O-CA 3.43Å; F326-V366 HydrophobicContact CD1-CG2 3.63Å; F326-V366 HydrophobicContact CE1-CG2 3.61Å; I341-V366 HydrophobicContact CD1-CB 4.29Å; I341-V366 HydrophobicContact CD1-CG1 3.55Å; I341-V366 HydrophobicContact CD1-CG2 3.67Å; I348-V366 HydrophobicContact CD1-CG2 4.02Å; L364-V366 PolarHBondContact O-N 2.83Å; V366-T391 HydrophobicContact CB-CG2 4.03Å; V366-T391 PolarHBondContact N-O 3.36Å; V366-T391 PolarHBondContact O-N 2.99Å; V366-I393 HydrophobicContact CG2-CD1 4.18Å
367F82.6Confident67.5Low0 Ų061.4 Ų61.40%032%0.316CS..EExtended strand (participates in β ladder)trans-102.8142.1-173-71.9-92.2000109.9Y324 S325 N327 T330 K365 I385 L388 S389 V390Y324-F367 VanDerWaalsContact CA-O 3.31Å; Y324-F367 WeakPolarHBondContact CA-O 3.41Å; S325-F367 PolarHBondContact N-O 2.98Å; S325-F367 PolarHBondContact O-N 2.88Å; N327-F367 HydrophobicContact CB-CD2 3.57Å; N327-F367 HydrophobicContact CB-CE2 3.29Å; N327-F367 HydrophobicContact CB-CZ 3.98Å; N327-F367 VanDerWaalsContact ND2-CZ 3.28Å; N327-F367 WeakPolarHBondContact ND2-CZ 3.39Å; T330-F367 HydrophobicContact CG2-CZ 4.49Å; K365-F367 HydrophobicContact CB-CD2 4.37Å; K365-F367 HydrophobicContact CB-CE2 3.39Å; K365-F367 HydrophobicContact CB-CZ 3.88Å; K365-F367 HydrophobicContact CD-CE2 4.46Å; K365-F367 HydrophobicContact CD-CZ 4.2Å; K365-F367 WeakPolarHBondContact O-CD2 3.42Å; K365-F367 WeakPolarHBondContact O-CE2 3.32Å; F367-I385 HydrophobicContact CE1-CG2 3.58Å; F367-I385 HydrophobicContact CZ-CG2 3.9Å; F367-L388 HydrophobicContact CB-CD1 4.03Å; F367-L388 HydrophobicContact CD1-CB 3.58Å; F367-L388 HydrophobicContact CD1-CD1 3.55Å; F367-L388 HydrophobicContact CD1-CG 4.15Å; F367-L388 HydrophobicContact CE1-CB 4.28Å; F367-L388 HydrophobicContact CE1-CD1 4.39Å; F367-L388 HydrophobicContact CG-CD1 4.03Å; F367-S389 CarbonylContact C-O 3.57Å; F367-S389 WeakPolarHBondContact CA-O 3.44Å; F367-V390 HydrophobicContact CD1-CG2 3.99Å; F367-V390 HydrophobicContact CE1-CB 4.34Å; F367-V390 HydrophobicContact CE1-CG1 4.15Å; F367-V390 HydrophobicContact CE1-CG2 3.44Å; F367-V390 VanDerWaalsContact CE1-CG2 3.44Å; F367-V390 HydrophobicContact CE2-CG1 4.4Å; F367-V390 HydrophobicContact CZ-CG1 3.95Å; F367-V390 HydrophobicContact CZ-CG2 4.04Å
368A79.1Confident65.9Low0 Ų065.4 Ų65.40%034%0.338CS..EExtended strand (participates in β ladder)trans-114.1104.3163.300000106.7F287 A311 I322 I323 Y324 S389F287-A368 HydrophobicContact CD2-CB 4.38Å; F287-A368 HydrophobicContact CE2-CB 3.68Å; F287-A368 HydrophobicContact CZ-CB 3.74Å; A311-A368 HydrophobicContact CB-CB 3.3Å; I322-A368 HydrophobicContact CG2-CB 3.51Å; I323-A368 VanDerWaalsContact O-CA 3.29Å; I323-A368 WeakPolarHBondContact O-CA 3.38Å; Y324-A368 HydrophobicContact CD1-CB 4.43Å; Y324-A368 HydrophobicContact CE1-CB 4.27Å; A368-S389 PolarHBondContact N-O 2.89Å; A368-S389 WeakPolarHBondContact O-CB 3.21Å; A368-S389 PolarHBondContact O-N 2.91Å
369K77Confident64.1Low52 Ų5265.2 Ų65.223%0.22634%0.344CS..EExtended strand (participates in β ladder)trans-114.6153.7-169.673148.4-170.2152.90113.9K321 I322 I323 P371 D372 L388K321-K369 CarbonylContact O-C 3.59Å; I322-K369 CarbonylContact C-O 3.47Å; I322-K369 VanDerWaalsContact C-O 3.28Å; I322-K369 WeakPolarHBondContact CA-O 3.48Å; I323-K369 HydrophobicContact CB-CG 4.03Å; I323-K369 HydrophobicContact CG2-CG 3.89Å; I323-K369 PolarHBondContact N-O 2.76Å; I323-K369 PolarHBondContact O-N 3.11Å; K369-P371 WeakPolarHBondContact O-CD 3.06Å; K369-D372 IonicContact NZ-OD1 3.16Å; K369-D372 PolarHBondContact NZ-OD1 2.87Å; K369-L388 HydrophobicContact CB-CD1 3.76Å; K369-L388 HydrophobicContact CB-CD2 3.4Å; K369-L388 HydrophobicContact CB-CG 4.04Å
370N78.1Confident62.4Low24 Ų2472.3 Ų72.313%0.12837%0.374CS..  trans-68.1116.2172.4-37.8105.8000110.4P285 E318 N319 K321 D372P285-N370 VanDerWaalsContact CG-ND2 3.3Å; P285-N370 WeakPolarHBondContact CG-ND2 3.38Å; E318-N370 WeakPolarHBondContact O-CB 3.3Å; N319-N370 VanDerWaalsContact C-CG 3.4Å; N319-N370 PolarHBondContact O-ND2 2.64Å; N319-N370 PolarHBondContact O-OD1 2.79Å; K321-N370 PolarHBondContact N-ND2 3.15Å; K321-N370 VanDerWaalsContact N-ND2 3.1Å; K321-N370 WeakPolarHBondContact O-CA 3.19Å; K321-N370 PolarHBondContact O-N 3.39Å; K321-N370 PolarHBondContact O-ND2 3.47Å; N370-D372 VanDerWaalsContact C-N 3.32Å; N370-D372 PolarHBondContact O-N 3.15Å
371P66.1Low60.4Low14 Ų1471.6 Ų71.69%0.09137%0.371CS..  trans-77.685.1-176.3-1633.3000110.8K321 I322 I323 K369K321-P371 VanDerWaalsContact C-CD 3.45Å; K321-P371 VanDerWaalsContact CB-CD 3.49Å; K321-P371 HydrophobicContact CD-CB 4.47Å; K321-P371 HydrophobicContact CD-CG 4.22Å; K321-P371 VanDerWaalsContact CG-CD 3.4Å; K321-P371 HydrophobicContact CG-CG 3.96Å; K321-P371 PolarHBondContact NZ-O 3.42Å; I322-P371 WeakPolarHBondContact O-CG 3.21Å; I323-P371 HydrophobicContact CB-CB 4.41Å; I323-P371 HydrophobicContact CB-CG 3.84Å; I323-P371 HydrophobicContact CD1-CB 3.63Å; I323-P371 HydrophobicContact CD1-CG 3.96Å; I323-P371 HydrophobicContact CG1-CB 3.87Å; I323-P371 HydrophobicContact CG1-CG 3.59Å; K369-P371 WeakPolarHBondContact O-CD 3.06Å
372D58.9Low58.2Low90 Ų9071.7 Ų71.748%0.48138%0.38SS..  trans53.2114.2158-56.92.4000116.4K369 N370K369-D372 IonicContact NZ-OD1 3.16Å; K369-D372 PolarHBondContact NZ-OD1 2.87Å; N370-D372 VanDerWaalsContact C-N 3.32Å; N370-D372 PolarHBondContact O-N 3.15Å
373N42Very low56.2Low106 Ų10678.2 Ų78.257%0.56741%0.411SS*.  -124.893.9122.4-142.3-34.4000112.5E318 T375E318-N373 HydrophobicContact CB-CB 4.22Å; E318-N373 HydrophobicContact CG-CB 3.9Å; E318-N373 WeakPolarHBondContact OE1-CB 3.43Å; E318-N373 PolarHBondContact OE1-ND2 3.3Å; N373-T375 PolarHBondContact O-N 2.82Å
374T37.4Very low54.6Low109 Ų10978.6 Ų78.667%0.66941%0.411SS*.  trans-73.3102.6178.8420000111.4
375T34.1Very low52.7Low109 Ų10980.3 Ų80.367%0.66942%0.42SS*.  trans-155.150.8160.18.50000119.2N373N373-T375 PolarHBondContact O-N 2.82Å
376S36.6Very low50.8Low120 Ų12080.6 Ų80.684%0.83943%0.431SS*.SBendtrans-148.440.7149.8-87.10000115.9
377R32.6Very low49.5Very low209 Ų20982.4 Ų82.479%0.78944%0.439SS*.SBendtrans37.796.9147.7-58.8-179.8-171.91632.8117.9
378H41Very low48.4Very low165 Ų16582.8 Ų82.876%0.76444%0.442SS*.  cis-138.6124.4-8.9-70.5-102.5000104.8K380H378-K380 PolarHBondContact O-N 3.38Å; H378-K380 VanDerWaalsContact O-N 3.15Å
379V38Very low48Very low97 Ų9783 Ų8359%0.58844%0.443SS*.  trans-56.9123.4-174.6-176.30000108.9S381 I384V379-S381 PolarHBondContact O-N 2.85Å; V379-I384 HydrophobicContact CB-CD1 4.02Å; V379-I384 HydrophobicContact CB-CG1 4.24Å; V379-I384 HydrophobicContact CG1-CD1 3.87Å; V379-I384 HydrophobicContact CG1-CG1 3.59Å
380K37.3Very low48Very low177 Ų17782.6 Ų82.677%0.7745%0.445SS*.  trans-76.879.4-179.4-79.3-170.5174-176.20110.1H378 S382H378-K380 PolarHBondContact O-N 3.38Å; H378-K380 VanDerWaalsContact O-N 3.15Å; K380-S382 PolarHBondContact O-N 3.35Å; K380-S382 PolarHBondContact O-OG 3.36Å
381S39.5Very low48.3Very low43 Ų4381.5 Ų81.530%0.30144%0.439SS..THydrogen-bonded Turntrans53.5-49.7149.850.50000120.2Y329 V379 I385Y329-S381 VanDerWaalsContact CG-CB 3.49Å; V379-S381 PolarHBondContact O-N 2.85Å; S381-I385 VanDerWaalsContact O-CG1 3.24Å; S381-I385 WeakPolarHBondContact O-CG1 3.27Å
382S38.6Very low49.1Very low80 Ų8084 Ų8456%0.55945%0.449SS*.THydrogen-bonded Turntrans-88.5-32.7-166.3490000115.4K380 I385K380-S382 PolarHBondContact O-N 3.35Å; K380-S382 PolarHBondContact O-OG 3.36Å; S382-I385 WeakPolarHBondContact O-CB 3.4Å; S382-I385 WeakPolarHBondContact O-CG1 3.38Å; S382-I385 PolarHBondContact O-N 3.37Å
383Q39.6Very low50.4Low138 Ų13879.7 Ų79.765%0.64543%0.426SS*.THydrogen-bonded Turntrans-73.1-35.9176-85.6175-70.200112.8I385 S386 E387Q383-I385 PolarHBondContact O-N 3.27Å; Q383-S386 PolarHBondContact O-N 3.42Å; Q383-S386 PolarHBondContact O-OG 2.73Å; Q383-E387 VanDerWaalsContact O-OE1 3.12Å
384I46.2Very low52.4Low43 Ų4375.4 Ų75.422%0.22140%0.403CS..G310 helixtrans-49.3-41.5173.1-56.8167.8000110.1Y329 V379 S386 E387 L388Y329-I384 HydrophobicContact CE2-CD1 4.36Å; V379-I384 HydrophobicContact CB-CD1 4.02Å; V379-I384 HydrophobicContact CB-CG1 4.24Å; V379-I384 HydrophobicContact CG1-CD1 3.87Å; V379-I384 HydrophobicContact CG1-CG1 3.59Å; I384-S386 PolarHBondContact O-N 3.04Å; I384-E387 CarbonylContact O-C 3.38Å; I384-E387 WeakPolarHBondContact O-CA 3.43Å; I384-E387 WeakPolarHBondContact O-CB 3.18Å; I384-E387 PolarHBondContact O-N 3.09Å; I384-L388 HydrophobicContact CG2-CD1 4.03Å; I384-L388 HydrophobicContact CG2-CD2 3.53Å; I384-L388 HydrophobicContact CG2-CG 3.81Å; I384-L388 WeakPolarHBondContact O-CG 2.99Å; I384-L388 PolarHBondContact O-N 2.85Å; I384-L388 VanDerWaalsContact O-N 3.16Å
385I42.4Very low54.7Low36 Ų3670.2 Ų70.219%0.18537%0.371CS..G310 helixtrans-59.8-29.8-175.6-43.5177000112.9Y329 F367 S381 S382 Q383 E387Y329-I385 WeakPolarHBondContact O-CD1 3.34Å; F367-I385 HydrophobicContact CE1-CG2 3.58Å; F367-I385 HydrophobicContact CZ-CG2 3.9Å; S381-I385 VanDerWaalsContact O-CG1 3.24Å; S381-I385 WeakPolarHBondContact O-CG1 3.27Å; S382-I385 WeakPolarHBondContact O-CB 3.4Å; S382-I385 WeakPolarHBondContact O-CG1 3.38Å; S382-I385 PolarHBondContact O-N 3.37Å; Q383-I385 PolarHBondContact O-N 3.27Å; I385-E387 VanDerWaalsContact C-N 3.29Å
386S39Very low57.2Low80 Ų8066.9 Ų66.956%0.55935%0.349SS*.G310 helixtrans-82.5-4.3174.227.90000114.1Q383 I384Q383-S386 PolarHBondContact O-N 3.42Å; Q383-S386 PolarHBondContact O-OG 2.73Å; I384-S386 PolarHBondContact O-N 3.04Å
387E53.6Low59.5Low38 Ų3861.6 Ų61.618%0.17831%0.312CS..G310 helixtrans-115.88.8177.7-56151.1-141.900110.3N281 P285 Q383 I384 I385N281-E387 VanDerWaalsContact ND2-CD 3.3Å; N281-E387 PolarHBondContact ND2-OE2 2.66Å; P285-E387 WeakPolarHBondContact CD-O 3.45Å; Q383-E387 VanDerWaalsContact O-OE1 3.12Å; I384-E387 CarbonylContact O-C 3.38Å; I384-E387 WeakPolarHBondContact O-CA 3.43Å; I384-E387 WeakPolarHBondContact O-CB 3.18Å; I384-E387 PolarHBondContact O-N 3.09Å; I385-E387 VanDerWaalsContact C-N 3.29Å
388L58.7Low62Low9 Ų956 Ų565%0.04730%0.297CS..SBendtrans-112.9141.1176.3-56.7-165.2000111.5F367 K369 I384 V390F367-L388 HydrophobicContact CB-CD1 4.03Å; F367-L388 HydrophobicContact CD1-CB 3.58Å; F367-L388 HydrophobicContact CD1-CD1 3.55Å; F367-L388 HydrophobicContact CD1-CG 4.15Å; F367-L388 HydrophobicContact CE1-CB 4.28Å; F367-L388 HydrophobicContact CE1-CD1 4.39Å; F367-L388 HydrophobicContact CG-CD1 4.03Å; K369-L388 HydrophobicContact CB-CD1 3.76Å; K369-L388 HydrophobicContact CB-CD2 3.4Å; K369-L388 HydrophobicContact CB-CG 4.04Å; I384-L388 HydrophobicContact CG2-CD1 4.03Å; I384-L388 HydrophobicContact CG2-CD2 3.53Å; I384-L388 HydrophobicContact CG2-CG 3.81Å; I384-L388 WeakPolarHBondContact O-CG 2.99Å; I384-L388 PolarHBondContact O-N 2.85Å; I384-L388 VanDerWaalsContact O-N 3.16Å; L388-V390 WeakPolarHBondContact O-CG2 3.47Å; L388-V390 PolarHBondContact O-N 2.99Å
389S70.4Confident64Low3 Ų349.4 Ų49.42%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-60.3144.6168-147.40000111.6P285 R286 F287 F367 A368P285-S389 WeakPolarHBondContact O-CA 2.98Å; P285-S389 WeakPolarHBondContact O-CB 3.44Å; P285-S389 PolarHBondContact O-OG 2.77Å; R286-S389 WeakPolarHBondContact CA-OG 3.41Å; R286-S389 PolarHBondContact N-OG 3.28Å; F287-S389 VanDerWaalsContact CD2-CB 3.49Å; F287-S389 WeakPolarHBondContact CD2-OG 3.48Å; F287-S389 PolarHBondContact N-OG 2.65Å; F367-S389 CarbonylContact C-O 3.57Å; F367-S389 WeakPolarHBondContact CA-O 3.44Å; A368-S389 PolarHBondContact N-O 2.89Å; A368-S389 WeakPolarHBondContact O-CB 3.21Å; A368-S389 PolarHBondContact O-N 2.91Å
390V77.8Confident66.2Low45 Ų4548.1 Ų48.127%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-129.8127.8174.2-161.30000110.7K365 F367 L388K365-V390 HydrophobicContact CB-CG1 3.95Å; K365-V390 HydrophobicContact CD-CG1 4.3Å; K365-V390 HydrophobicContact CG-CG1 4.09Å; F367-V390 HydrophobicContact CD1-CG2 3.99Å; F367-V390 HydrophobicContact CE1-CB 4.34Å; F367-V390 HydrophobicContact CE1-CG1 4.15Å; F367-V390 HydrophobicContact CE1-CG2 3.44Å; F367-V390 VanDerWaalsContact CE1-CG2 3.44Å; F367-V390 HydrophobicContact CE2-CG1 4.4Å; F367-V390 HydrophobicContact CZ-CG1 3.95Å; F367-V390 HydrophobicContact CZ-CG2 4.04Å; L388-V390 WeakPolarHBondContact O-CG2 3.47Å; L388-V390 PolarHBondContact O-N 2.99Å
391T84.3Confident68.5Low0 Ų040.6 Ų40.60%023%0.228CC..EExtended strand (participates in β ladder)trans-114.5153.5156.4-169.90000108.9F287 Q289 Y292 L309 K365 V366F287-T391 HydrophobicContact CD1-CG2 3.42Å; F287-T391 VanDerWaalsContact CD1-CG2 3.42Å; F287-T391 HydrophobicContact CD2-CG2 4.07Å; F287-T391 HydrophobicContact CE1-CG2 3.35Å; F287-T391 HydrophobicContact CE2-CG2 3.96Å; F287-T391 VanDerWaalsContact CE2-N 3.32Å; F287-T391 VanDerWaalsContact CG-CB 3.46Å; F287-T391 HydrophobicContact CG-CG2 3.84Å; F287-T391 HydrophobicContact CZ-CG2 3.65Å; Q289-T391 WeakPolarHBondContact O-CB 3.36Å; Q289-T391 PolarHBondContact O-OG1 3.34Å; Y292-T391 WeakPolarHBondContact CE2-OG1 3.31Å; L309-T391 HydrophobicContact CD1-CG2 3.72Å; L309-T391 HydrophobicContact CD2-CG2 3.94Å; L309-T391 HydrophobicContact CG-CG2 4.33Å; K365-T391 WeakPolarHBondContact CA-O 3.36Å; V366-T391 HydrophobicContact CB-CG2 4.03Å; V366-T391 PolarHBondContact N-O 3.36Å; V366-T391 PolarHBondContact O-N 2.99Å
392Q82.6Confident70.6Confident66 Ų6642.4 Ų42.431%0.30823%0.234SC..EExtended strand (participates in β ladder)trans-115.7126.6-178.1-58.3-177.20.700109.2S290 M291 Y292 V363 K365S290-Q392 PolarHBondContact O-N 3.49Å; M291-Q392 CarbonylContact C-O 3.59Å; M291-Q392 VanDerWaalsContact CA-O 3.23Å; M291-Q392 WeakPolarHBondContact CA-O 3.23Å; Y292-Q392 PolarHBondContact N-O 2.83Å; V363-Q392 HydrophobicContact CG1-CB 4.16Å; V363-Q392 HydrophobicContact CG1-CG 4.35Å; K365-Q392 HydrophobicContact CG-CG 4.37Å
393I85.9Confident72.6Confident0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-101121.6162.2-58.6147.7000107.1Y292 V294 I307 L309 I348 V363 L364 V366 V395Y292-I393 HydrophobicContact CD2-CG1 4.38Å; Y292-I393 HydrophobicContact CG-CG1 4.49Å; V294-I393 HydrophobicContact CG2-CG2 4.41Å; I307-I393 HydrophobicContact CD1-CG2 4.41Å; I307-I393 HydrophobicContact CG2-CB 4.35Å; I307-I393 HydrophobicContact CG2-CD1 3.31Å; I307-I393 HydrophobicContact CG2-CG1 3.74Å; I307-I393 HydrophobicContact CG2-CG2 3.78Å; L309-I393 HydrophobicContact CD1-CD1 3.74Å; L309-I393 HydrophobicContact CD1-CG1 4.44Å; L309-I393 HydrophobicContact CD2-CD1 4.02Å; L309-I393 HydrophobicContact CD2-CG1 4Å; L309-I393 HydrophobicContact CG-CD1 4.16Å; I348-I393 HydrophobicContact CD1-CD1 3.16Å; V363-I393 CarbonylContact C-O 3.56Å; V363-I393 WeakPolarHBondContact CA-O 3.42Å; L364-I393 HydrophobicContact CB-CB 4.11Å; L364-I393 HydrophobicContact CB-CD1 4.27Å; L364-I393 HydrophobicContact CG-CB 4.46Å; L364-I393 PolarHBondContact N-O 3.21Å; L364-I393 PolarHBondContact O-N 3.03Å; V366-I393 HydrophobicContact CG2-CD1 4.18Å; I393-V395 HydrophobicContact CG2-CG2 3.72Å
394I85.1Confident74.9Confident17 Ų1739.4 Ų39.49%0.08721%0.209CC..EExtended strand (participates in β ladder)trans-95.1100.6176-65.2-172.8000107.7M291 Y292 I293 V294 Q361 N396M291-I394 HydrophobicContact CE-CD1 3.78Å; M291-I394 HydrophobicContact CG-CD1 3.9Å; M291-I394 HydrophobicContact CG-CG1 4.25Å; M291-I394 HydrophobicContact SD-CD1 3.51Å; M291-I394 VanDerWaalsContact SD-CD1 3.51Å; M291-I394 HydrophobicContact SD-CG1 4.48Å; Y292-I394 WeakPolarHBondContact O-CB 3.35Å; Y292-I394 PolarHBondContact O-N 2.86Å; I293-I394 CarbonylContact C-O 3.23Å; I293-I394 WeakPolarHBondContact CA-O 3.17Å; I293-I394 HydrophobicContact CG1-CB 4.25Å; I293-I394 HydrophobicContact CG2-CB 4.36Å; I293-I394 HydrophobicContact CG2-CG2 4.2Å; V294-I394 PolarHBondContact N-O 2.88Å; Q361-I394 VanDerWaalsContact CD-CG2 3.47Å; Q361-I394 HydrophobicContact CG-CG2 3.62Å; I394-N396 WeakPolarHBondContact CG2-OD1 3.4Å
395V85.6Confident76.9Confident0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-96.894.9172.2-171.70000108V294 I296 I306 F339 Q361 H362 L364 I393V294-V395 HydrophobicContact CB-CG1 4.49Å; V294-V395 HydrophobicContact CB-CG2 4.45Å; V294-V395 CarbonylContact O-C 3.54Å; V294-V395 WeakPolarHBondContact O-CA 3.43Å; I296-V395 HydrophobicContact CB-CG1 4.28Å; I296-V395 HydrophobicContact CD1-CG1 3.35Å; I296-V395 HydrophobicContact CG1-CG1 3.68Å; I306-V395 HydrophobicContact CG2-CG2 3.87Å; F339-V395 HydrophobicContact CZ-CB 4.49Å; F339-V395 HydrophobicContact CZ-CG1 4.23Å; Q361-V395 CarbonylContact C-O 3.59Å; Q361-V395 WeakPolarHBondContact CA-O 3.33Å; H362-V395 HydrophobicContact CB-CB 4.15Å; H362-V395 PolarHBondContact N-O 3.14Å; H362-V395 PolarHBondContact O-N 2.85Å; L364-V395 HydrophobicContact CD1-CG2 3.96Å; L364-V395 HydrophobicContact CG-CG2 4.24Å; I393-V395 HydrophobicContact CG2-CG2 3.72Å
396N86.1Confident79Confident38 Ų3842.5 Ų42.520%0.20322%0.216CC..EExtended strand (participates in β ladder)trans-70.2130176.6-54.5-63000109.7I293 V294 N295 I296 Q361 I394I293-N396 VanDerWaalsContact CG2-ND2 3.35Å; I293-N396 WeakPolarHBondContact CG2-ND2 3.34Å; V294-N396 PolarHBondContact O-N 2.86Å; V294-N396 PolarHBondContact O-ND2 2.76Å; N295-N396 CarbonylContact C-O 3.46Å; N295-N396 WeakPolarHBondContact CA-O 3.47Å; N295-N396 PolarHBondContact OD1-ND2 3.31Å; I296-N396 PolarHBondContact N-O 2.78Å; Q361-N396 PolarHBondContact NE2-OD1 3.48Å; I394-N396 WeakPolarHBondContact CG2-OD1 3.4Å
397V85.2Confident81.4Confident9 Ų939.6 Ų39.66%0.05520%0.195CC..  trans-87.6162.6171.2-167.20000108.9I296 E298 L354 Y356 K359 P360 H362I296-V397 CarbonylContact O-C 3.28Å; I296-V397 VanDerWaalsContact O-C 3.27Å; I296-V397 VanDerWaalsContact O-CA 3.23Å; I296-V397 WeakPolarHBondContact O-CA 3.44Å; E298-V397 HydrophobicContact CB-CG1 3.57Å; L354-V397 HydrophobicContact CB-CG1 4.31Å; L354-V397 HydrophobicContact CD1-CG1 4.43Å; L354-V397 HydrophobicContact CD1-CG2 4.01Å; Y356-V397 HydrophobicContact CD2-CB 3.8Å; Y356-V397 HydrophobicContact CD2-CG1 4.01Å; Y356-V397 WeakPolarHBondContact CE2-O 3.06Å; K359-V397 WeakPolarHBondContact O-CG2 3.27Å; P360-V397 PolarHBondContact O-N 2.62Å; H362-V397 WeakPolarHBondContact CD2-CG2 3.29Å
398I84.3Confident83Confident91 Ų9146 Ų4647%0.46722%0.218SC..  trans-120.9132.5173.9-57.8165.7000108.4I296 E298I296-I398 WeakPolarHBondContact O-CG1 3.39Å; I296-I398 PolarHBondContact O-N 3.47Å; E298-I398 PolarHBondContact N-O 3.11Å
399D84Confident84.3Confident28 Ų2846.8 Ų46.815%0.1522%0.223CC..  trans-78.3141.8-171.1-176.3109.9000113.9E298 Y356 T440 N443E298-D399 WeakPolarHBondContact OE1-CA 3.35Å; Y356-D399 HydrophobicContact CD1-CB 3.68Å; Y356-D399 WeakPolarHBondContact CD1-OD1 3.23Å; Y356-D399 HydrophobicContact CD2-CB 3.84Å; Y356-D399 HydrophobicContact CE1-CB 3.89Å; Y356-D399 VanDerWaalsContact CE1-OD1 3.24Å; Y356-D399 WeakPolarHBondContact CE1-OD1 3.04Å; Y356-D399 HydrophobicContact CE2-CB 4Å; Y356-D399 HydrophobicContact CG-CB 3.69Å; D399-T440 VanDerWaalsContact CB-OG1 3.27Å; D399-T440 WeakPolarHBondContact CB-OG1 3.44Å; D399-T440 WeakPolarHBondContact OD1-CB 3.46Å; D399-T440 PolarHBondContact OD1-N 2.89Å; D399-T440 PolarHBondContact OD1-OG1 2.93Å; D399-T440 PolarHBondContact OD2-N 2.86Å; D399-N443 PolarHBondContact OD2-ND2 3.01Å
400V84Confident85Confident70 Ų7050.2 Ų50.242%0.42424%0.24SC..  trans-126.1144.1173.1-178.40000108.9E298 D402E298-V400 HydrophobicContact CG-CB 4.49Å; E298-V400 HydrophobicContact CG-CG2 4.02Å; E298-V400 WeakPolarHBondContact OE1-CB 3.48Å; E298-V400 PolarHBondContact OE1-N 2.83Å; V400-D402 PolarHBondContact O-N 3.09Å
401N85.3Confident85.3Confident19 Ų1948.7 Ų48.710%0.10223%0.232CC..  trans-75.783.4-175-162.4118.9000112.6D439 N443 D504 G506 P508N401-D439 VanDerWaalsContact C-OD2 3.3Å; N401-D439 WeakPolarHBondContact CA-OD2 3.32Å; N401-N443 HydrophobicContact CB-CB 4.04Å; N401-N443 VanDerWaalsContact OD1-CA 3.27Å; N401-N443 WeakPolarHBondContact OD1-CA 3.44Å; N401-N443 WeakPolarHBondContact OD1-CB 3.34Å; N401-N443 PolarHBondContact OD1-OD1 2.03Å; N401-D504 PolarHBondContact ND2-OD2 3.07Å; N401-G506 WeakPolarHBondContact OD1-CA 3.5Å; N401-P508 PolarHBondContact ND2-O 3.34Å
402D83.6Confident84.8Confident81 Ų8152.5 Ų52.543%0.43326%0.256SS..  trans-115.2-1.6-178.786.2-40.6000115.4V400 D439V400-D402 PolarHBondContact O-N 3.09Å; D402-D439 PolarHBondContact N-OD2 3.23Å
403H81.3Confident84.2Confident36 Ų3654 Ų5417%0.16727%0.27CS..  trans-112.6147.1179.6-70.965.3000116.3R357 D439 L510R357-H403 VanDerWaalsContact CD-CE1 3.44Å; R357-H403 WeakPolarHBondContact CD-CE1 2.92Å; R357-H403 WeakPolarHBondContact CD-ND1 3.23Å; R357-H403 PolarHBondContact NH1-CD2 2.71Å; R357-H403 PolarHBondContact NH1-CE1 3.35Å; R357-H403 VanDerWaalsContact NH1-CE1 3.34Å; R357-H403 PolarHBondContact NH1-NE2 3.27Å; H403-D439 WeakPolarHBondContact CB-OD1 3.03Å; H403-D439 IonicContact CG-OD1 2.65Å; H403-D439 PolarHBondContact N-OD1 3.07Å; H403-D439 PolarHBondContact N-OD2 2.86Å; H403-D439 IonicContact ND1-OD1 3.85Å; H403-D439 PolarHBondContact ND1-OD1 2.85Å; H403-L510 VanDerWaalsContact O-CD1 3.27Å; H403-L510 WeakPolarHBondContact O-CD1 3.19Å
404F86.6Confident83.6Confident118 Ų11857.4 Ų57.452%0.51831%0.305SS..PPolyproline II helixtrans-89.7142.2177-68.4-109.9000110.6R406 L510F404-R406 PolarHBondContact O-N 2.71Å; F404-R406 VanDerWaalsContact O-N 3.12Å; F404-L510 HydrophobicContact CD1-CB 3.82Å; F404-L510 HydrophobicContact CD2-CD1 3.95Å; F404-L510 HydrophobicContact CE1-CB 4.07Å; F404-L510 HydrophobicContact CE1-CD2 4.04Å; F404-L510 HydrophobicContact CE1-CG 4.48Å; F404-L510 HydrophobicContact CE2-CD1 3.98Å; F404-L510 HydrophobicContact CE2-CD2 4.32Å; F404-L510 HydrophobicContact CG-CB 4.08Å; F404-L510 HydrophobicContact CG-CD1 4.27Å; F404-L510 HydrophobicContact CZ-CD1 4.34Å; F404-L510 HydrophobicContact CZ-CD2 3.88Å; F404-L510 HydrophobicContact CZ-CG 4.49Å
405P88.7Confident83Confident1 Ų158.6 Ų58.61%0.00632%0.315CS..PPolyproline II helixtrans-52.4116.7175.1-2527.2000112.6D437 V446 C502 D504 T512P405-D437 VanDerWaalsContact CA-OD2 3.23Å; P405-D437 WeakPolarHBondContact CA-OD2 3.43Å; P405-D437 VanDerWaalsContact CD-OD2 3.32Å; P405-D437 WeakPolarHBondContact CD-OD2 3.1Å; P405-D437 WeakPolarHBondContact CG-OD2 3.38Å; P405-V446 HydrophobicContact CB-CG1 3.75Å; P405-V446 HydrophobicContact CB-CG2 4.01Å; P405-V446 HydrophobicContact CG-CG1 3.97Å; P405-V446 HydrophobicContact CG-CG2 4.23Å; P405-C502 HydrophobicContact CB-CB 4.31Å; P405-D504 HydrophobicContact CG-CB 4.15Å; P405-T512 WeakPolarHBondContact O-CB 3.5Å; P405-T512 WeakPolarHBondContact O-CG2 3.42Å; P405-T512 PolarHBondContact O-OG1 2.91Å
406R86.6Confident82.5Confident143 Ų14368.2 Ų68.254%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-87.2117.6176-58.2-179.8172.8-174.1-2.1109.1F404 V435 S436F404-R406 PolarHBondContact O-N 2.71Å; F404-R406 VanDerWaalsContact O-N 3.12Å; R406-V435 WeakPolarHBondContact O-CA 3.33Å; R406-S436 WeakPolarHBondContact CA-O 3.22Å; R406-S436 VanDerWaalsContact CB-O 3.23Å; R406-S436 WeakPolarHBondContact CB-O 3.21Å; R406-S436 PolarHBondContact N-O 3.1Å; R406-S436 PolarHBondContact O-N 2.66Å
407V88.8Confident82.2Confident20 Ų2068.6 Ų68.612%0.12136%0.359CS..EExtended strand (participates in β ladder)trans-103.7131.8179.2-170.20000109.2V433 I500 C502 T512 L514V407-V433 HydrophobicContact CG1-CG1 3.64Å; V407-I500 HydrophobicContact CG1-CB 4.41Å; V407-I500 HydrophobicContact CG1-CD1 4.34Å; V407-I500 HydrophobicContact CG1-CG2 3.93Å; V407-C502 HydrophobicContact CG2-CB 3.77Å; V407-C502 WeakPolarHBondContact CG2-SG 3.23Å; V407-T512 HydrophobicContact CB-CG2 4.47Å; V407-T512 HydrophobicContact CG2-CG2 3.87Å; V407-L514 HydrophobicContact CB-CB 4.33Å; V407-L514 HydrophobicContact CB-CD2 4.23Å; V407-L514 HydrophobicContact CG1-CB 4.22Å; V407-L514 HydrophobicContact CG1-CD2 3.89Å
408R87.2Confident82.4Confident173 Ų17368.3 Ų68.365%0.65336%0.357SS*.EExtended strand (participates in β ladder)trans-131.5155.7168.6-69.2-179.5172.9177.9-3.9108.9V433 E434R408-V433 CarbonylContact O-C 3.44Å; R408-V433 WeakPolarHBondContact O-CA 3.46Å; R408-V433 WeakPolarHBondContact O-CG1 3.36Å; R408-E434 PolarHBondContact N-O 2.75Å; R408-E434 PolarHBondContact O-N 2.84Å; R408-E434 VanDerWaalsContact O-O 3.11Å
409V87.6Confident82.5Confident25 Ų2566.6 Ų66.615%0.15235%0.347CS..EExtended strand (participates in β ladder)trans-126130.3169.5-151.20000108.7L418 I432 V433 I482 I500 L514 Q516V409-L418 HydrophobicContact CB-CD1 4.41Å; V409-L418 HydrophobicContact CG1-CD1 3.79Å; V409-L418 HydrophobicContact CG1-CD2 4.12Å; V409-L418 HydrophobicContact CG1-CG 4.44Å; V409-I432 WeakPolarHBondContact CA-O 3.46Å; V409-V433 HydrophobicContact CG1-CG2 4.06Å; V409-V433 HydrophobicContact CG2-CG2 4.49Å; V409-I482 HydrophobicContact CG1-CD1 3.65Å; V409-I500 HydrophobicContact CG2-CD1 3.43Å; V409-I500 VanDerWaalsContact CG2-CD1 3.43Å; V409-L514 HydrophobicContact CG2-CD2 3.83Å; V409-Q516 HydrophobicContact CG2-CG 4.26Å
410L84.7Confident82.8Confident75 Ų7565.6 Ų65.639%0.39334%0.342SS..EExtended strand (participates in β ladder)trans-108.1133.3178.8-57.6-176.6000109.6G431 I432 E434L410-G431 WeakPolarHBondContact O-CA 3.24Å; L410-I432 PolarHBondContact N-O 3.37Å; L410-I432 PolarHBondContact O-N 3.05Å; L410-E434 VanDerWaalsContact CD1-CD 3.4Å; L410-E434 HydrophobicContact CD1-CG 3.93Å; L410-E434 HydrophobicContact CG-CG 4.25Å
411S83Confident82.8Confident13 Ų1366.7 Ų66.79%0.09134%0.344CS..  trans-72136166-177.80000109.9T413 G414 S415S411-T413 PolarHBondContact O-N 3.4Å; S411-T413 PolarHBondContact OG-N 3.48Å; S411-T413 PolarHBondContact OG-OG1 3.19Å; S411-G414 PolarHBondContact O-N 3.37Å; S411-G414 VanDerWaalsContact O-N 3.07Å; S411-S415 WeakPolarHBondContact CB-O 3.43Å
412P74.1Confident82.9Confident79 Ų7966 Ų6651%0.51334%0.34SS..THydrogen-bonded Turntrans-61.7-23.9173.6-20.433.6000112.9G414 V430P412-G414 VanDerWaalsContact C-N 3.34Å; P412-V430 WeakPolarHBondContact CD-O 3.36Å
413T70.6Confident82.7Confident99 Ų9968 Ų6861%0.60735%0.347SS*.THydrogen-bonded Turntrans-81.5-11.4176.964.70000113.4S411 S415 E419S411-T413 PolarHBondContact O-N 3.4Å; S411-T413 PolarHBondContact OG-N 3.48Å; S411-T413 PolarHBondContact OG-OG1 3.19Å; T413-S415 WeakPolarHBondContact OG1-CB 3.5Å; T413-S415 PolarHBondContact OG1-N 2.85Å; T413-E419 PolarHBondContact OG1-OE2 3.49Å
414G72.7Confident82.8Confident71 Ų7167 Ų6773%0.73234%0.344SS*.  trans76.65.3-168.500000114.5S411 P412S411-G414 PolarHBondContact O-N 3.37Å; S411-G414 VanDerWaalsContact O-N 3.07Å; P412-G414 VanDerWaalsContact C-N 3.34Å
415S72.1Confident82.6Confident42 Ų4264.6 Ų64.629%0.29434%0.342SS..  trans-62157.4171.5-170.80000112.3S411 T413 E419S411-S415 WeakPolarHBondContact CB-O 3.43Å; T413-S415 WeakPolarHBondContact OG1-CB 3.5Å; T413-S415 PolarHBondContact OG1-N 2.85Å; S415-E419 VanDerWaalsContact CB-CD 3.44Å; S415-E419 VanDerWaalsContact CB-OE1 3.23Å; S415-E419 WeakPolarHBondContact CB-OE1 3.43Å; S415-E419 WeakPolarHBondContact CB-OE2 3.06Å; S415-E419 VanDerWaalsContact OG-CD 3.28Å; S415-E419 PolarHBondContact OG-OE1 3.33Å; S415-E419 PolarHBondContact OG-OE2 2.92Å
416K76.8Confident82.4Confident202 Ų20270 Ų7088%0.87837%0.37SS*.SBendtrans-73.1-33.4179.4-179.7-175.6172.8-170.90112.4
417D79.3Confident82.2Confident46 Ų4665 Ų6525%0.24636%0.363CS..SBendtrans-101.2160.1172.6-79.3-90.1000109.1R517D417-R517 IonicContact OD1-CZ 3.63Å; D417-R517 IonicContact OD1-NE 3.66Å; D417-R517 PolarHBondContact OD1-NE 2.72Å; D417-R517 IonicContact OD1-NH2 2.68Å; D417-R517 PolarHBondContact OD1-NH2 2.6Å; D417-R517 IonicContact OD2-NH2 2.76Å; D417-R517 PolarHBondContact OD2-NH2 3.35Å
418L88.5Confident82Confident2 Ų267.9 Ų67.91%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-79.3135.9168.4-64.2-179.4000109.2V409 I482 F498 Q516 I518 K519V409-L418 HydrophobicContact CB-CD1 4.41Å; V409-L418 HydrophobicContact CG1-CD1 3.79Å; V409-L418 HydrophobicContact CG1-CD2 4.12Å; V409-L418 HydrophobicContact CG1-CG 4.44Å; L418-I482 HydrophobicContact CD1-CD1 4.22Å; L418-F498 HydrophobicContact CD1-CE1 4.3Å; L418-F498 HydrophobicContact CD1-CZ 3.95Å; L418-Q516 HydrophobicContact CD1-CG 3.57Å; L418-Q516 HydrophobicContact CG-CG 4.25Å; L418-I518 HydrophobicContact CB-CB 4.31Å; L418-I518 HydrophobicContact CB-CG1 3.58Å; L418-I518 HydrophobicContact CD1-CD1 4.4Å; L418-I518 HydrophobicContact CD1-CG1 3.77Å; L418-I518 HydrophobicContact CG-CG1 4.36Å; L418-I518 CarbonylContact O-C 3.57Å; L418-I518 WeakPolarHBondContact O-CA 3.37Å; L418-K519 PolarHBondContact O-N 3.37Å
419E87.6Confident81.9Confident56 Ų5663.1 Ų63.126%0.26236%0.363SS..EExtended strand (participates in β ladder)trans-130.2134.8-175.1-76.7155.1-167.100108.2T413 S415 K519 I521T413-E419 PolarHBondContact OG1-OE2 3.49Å; S415-E419 VanDerWaalsContact CB-CD 3.44Å; S415-E419 VanDerWaalsContact CB-OE1 3.23Å; S415-E419 WeakPolarHBondContact CB-OE1 3.43Å; S415-E419 WeakPolarHBondContact CB-OE2 3.06Å; S415-E419 VanDerWaalsContact OG-CD 3.28Å; S415-E419 PolarHBondContact OG-OE1 3.33Å; S415-E419 PolarHBondContact OG-OE2 2.92Å; E419-K519 WeakPolarHBondContact CA-O 3.37Å; E419-I521 HydrophobicContact CB-CD1 3.72Å; E419-I521 HydrophobicContact CB-CG1 4.14Å; E419-I521 HydrophobicContact CG-CD1 3.93Å; E419-I521 HydrophobicContact CG-CG1 4.26Å
420I88.7Confident81.8Confident7 Ų762 Ų624%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-133.9130.2167.6-158-160000109.8V430 V484 I488 I518 K519 I520 I521I420-V430 HydrophobicContact CB-CG1 3.87Å; I420-V430 HydrophobicContact CB-CG2 4.43Å; I420-V430 HydrophobicContact CD1-CG2 3.57Å; I420-V430 HydrophobicContact CG1-CG1 4.25Å; I420-V430 HydrophobicContact CG1-CG2 3.96Å; I420-V484 HydrophobicContact CD1-CG2 3.3Å; I420-I488 HydrophobicContact CD1-CD1 3.81Å; I420-I488 HydrophobicContact CG2-CD1 4.23Å; I420-I518 HydrophobicContact CB-CG2 4.06Å; I420-I518 HydrophobicContact CG2-CG2 3.61Å; I420-K519 PolarHBondContact N-O 3.3Å; I420-K519 VanDerWaalsContact N-O 3.12Å; I420-I520 HydrophobicContact CG2-CG1 3.83Å; I420-I520 CarbonylContact O-C 3.57Å; I420-I520 WeakPolarHBondContact O-CA 3.4Å; I420-I521 PolarHBondContact O-N 3.16Å
421I85.6Confident81.9Confident92 Ų9258.5 Ų58.547%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-67.8137.3168.2-52.1176.5000108.2S424 I521 I523I421-S424 WeakPolarHBondContact O-CB 3.3Å; I421-S424 PolarHBondContact O-OG 2.79Å; I421-I521 WeakPolarHBondContact CA-O 3.41Å; I421-I521 HydrophobicContact CG1-CB 4.26Å; I421-I521 HydrophobicContact CG1-CG2 4.24Å; I421-I523 HydrophobicContact CG2-CD1 3.61Å; I421-I523 HydrophobicContact CG2-CG1 3.37Å
422E86.3Confident82.2Confident4 Ų460.4 Ų60.42%0.01935%0.346CS..THydrogen-bonded Turntrans-69.8-180173.978.4-163.2117.800113.5S424 R490 I520 I521 D522 I523E422-S424 PolarHBondContact O-N 2.92Å; E422-R490 WeakPolarHBondContact OE2-CB 3.3Å; E422-R490 PolarHBondContact OE2-N 2.82Å; E422-I520 HydrophobicContact CB-CG2 3.84Å; E422-I521 PolarHBondContact N-O 3.35Å; E422-D522 VanDerWaalsContact OE1-CA 3.24Å; E422-D522 WeakPolarHBondContact OE1-CA 3.48Å; E422-I523 HydrophobicContact CG-CB 3.98Å; E422-I523 HydrophobicContact CG-CD1 4.3Å; E422-I523 HydrophobicContact CG-CG1 4.02Å; E422-I523 VanDerWaalsContact O-CD1 3.24Å; E422-I523 WeakPolarHBondContact O-CD1 3.48Å; E422-I523 PolarHBondContact OE1-N 2.93Å
423E80.2Confident82.9Confident123 Ų12356.7 Ų56.758%0.57532%0.322SS*.THydrogen-bonded Turntrans51.81.2-161.6-74.5-124.2102.200115.1S425 I523E423-S425 PolarHBondContact O-N 2.98Å; E423-I523 HydrophobicContact CB-CD1 4.15Å
424S82.4Confident83.7Confident15 Ų1554.4 Ų54.411%0.10530%0.304CS..PPolyproline II helixtrans-47132.4-176.9-93.30000112.6I421 E422I421-S424 WeakPolarHBondContact O-CB 3.3Å; I421-S424 PolarHBondContact O-OG 2.79Å; E422-S424 PolarHBondContact O-N 2.92Å
425S82.7Confident84.4Confident69 Ų6951 Ų5148%0.48327%0.269SS..PPolyproline II helixtrans-55.4144.4-173.672.80000112.6E423 G427 Q428E423-S425 PolarHBondContact O-N 2.98Å; S425-G427 PolarHBondContact O-N 2.82Å; S425-G427 VanDerWaalsContact O-N 3.12Å; S425-Q428 WeakPolarHBondContact O-CB 3.31Å; S425-Q428 PolarHBondContact O-N 2.83Å; S425-Q428 PolarHBondContact OG-OE1 3.05Å
426L85Confident85.1Confident114 Ų11450.6 Ų50.660%0.59727%0.266SS*.THydrogen-bonded Turntrans-63.7119.8176.7-63.1179.3000109.4V484 R487L426-V484 HydrophobicContact CD2-CG1 4.22Å; L426-R487 HydrophobicContact CD2-CG 4.4Å
427G83.3Confident85.4Confident37 Ų3741.2 Ų41.238%0.38123%0.226SC..THydrogen-bonded Turntrans99.2-1.6-169.700000115.6S425 D429 T483 V484S425-G427 PolarHBondContact O-N 2.82Å; S425-G427 VanDerWaalsContact O-N 3.12Å; G427-D429 PolarHBondContact O-N 3.48Å; G427-T483 WeakPolarHBondContact O-CG2 3.06Å; G427-V484 PolarHBondContact N-O 2.89Å
428Q83.4Confident85.3Confident82 Ų8239.6 Ų39.638%0.38322%0.22SC..  trans-53.2134.5170.9-168.387.6-6.900110.5S425 T483 V484S425-Q428 WeakPolarHBondContact O-CB 3.31Å; S425-Q428 PolarHBondContact O-N 2.83Å; S425-Q428 PolarHBondContact OG-OE1 3.05Å; Q428-T483 VanDerWaalsContact O-CA 3.3Å; Q428-T483 WeakPolarHBondContact O-CA 3.36Å; Q428-V484 HydrophobicContact CB-CB 4.42Å; Q428-V484 HydrophobicContact CB-CG2 3.98Å; Q428-V484 PolarHBondContact O-N 2.8Å; Q428-V484 VanDerWaalsContact O-N 3.08Å
429D85.6Confident85.1Confident73 Ų7339.6 Ų39.639%0.3922%0.22SC..EExtended strand (participates in β ladder)trans-87.1115.3176.5-75.8-42.5000111.3G427 K481 T483G427-D429 PolarHBondContact O-N 3.48Å; D429-K481 VanDerWaalsContact OD1-CB 3.25Å; D429-K481 WeakPolarHBondContact OD1-CB 3.49Å; D429-K481 VanDerWaalsContact OD1-CD 3.27Å; D429-K481 WeakPolarHBondContact OD1-CD 3.38Å; D429-K481 WeakPolarHBondContact OD1-CE 3.32Å; D429-K481 VanDerWaalsContact OD1-CG 3.27Å; D429-K481 WeakPolarHBondContact OD1-CG 3.5Å; D429-K481 IonicContact OD1-NZ 3.85Å; D429-K481 PolarHBondContact OD1-NZ 2.83Å; D429-K481 IonicContact OD2-NZ 2.8Å; D429-K481 PolarHBondContact OD2-NZ 2.83Å; D429-T483 WeakPolarHBondContact OD1-CG2 3.34Å
430V85.6Confident84.7Confident2 Ų238.2 Ų38.21%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-92.8-29.5-174.4-174.60000112.7P412 I420 I482 V484 I518P412-V430 WeakPolarHBondContact CD-O 3.36Å; I420-V430 HydrophobicContact CB-CG1 3.87Å; I420-V430 HydrophobicContact CB-CG2 4.43Å; I420-V430 HydrophobicContact CD1-CG2 3.57Å; I420-V430 HydrophobicContact CG1-CG1 4.25Å; I420-V430 HydrophobicContact CG1-CG2 3.96Å; V430-I482 HydrophobicContact CB-CB 4.5Å; V430-I482 HydrophobicContact CB-CG2 4.33Å; V430-I482 WeakPolarHBondContact CB-O 3.46Å; V430-I482 PolarHBondContact N-O 3.11Å; V430-V484 HydrophobicContact CG2-CG2 3.58Å; V430-I518 HydrophobicContact CG1-CD1 3.63Å; V430-I518 HydrophobicContact CG1-CG1 3.77Å; V430-I518 HydrophobicContact CG1-CG2 4.03Å
431G86.9Confident84.3Confident0 Ų040.3 Ų40.30%024%0.239CC..EExtended strand (participates in β ladder)trans-171.2150.7-174.200000111.5L410 I482L410-G431 WeakPolarHBondContact O-CA 3.24Å; G431-I482 WeakPolarHBondContact O-CB 3.38Å; G431-I482 PolarHBondContact O-N 3.12Å
432I88.8Confident84.1Confident54 Ų5440.2 Ų40.228%0.27724%0.243SC..EExtended strand (participates in β ladder)trans-104.1112.1175.4-58.6175.2000107.1V409 L410 E434 I464 K479V409-I432 WeakPolarHBondContact CA-O 3.46Å; L410-I432 PolarHBondContact N-O 3.37Å; L410-I432 PolarHBondContact O-N 3.05Å; I432-E434 HydrophobicContact CG2-CG 3.96Å; I432-E434 PolarHBondContact O-N 2.99Å; I432-I464 HydrophobicContact CG2-CD1 4.38Å; I432-K479 HydrophobicContact CG2-CB 4.2Å; I432-K479 HydrophobicContact CG2-CD 4.14Å
433V88.8Confident83.9Confident0 Ų041.1 Ų41.10%025%0.248CC..EExtended strand (participates in β ladder)trans-75.4110.1164.6-170.20000107.1V407 R408 V409 V435 L461 K479 Y480 I482 I500V407-V433 HydrophobicContact CG1-CG1 3.64Å; R408-V433 CarbonylContact O-C 3.44Å; R408-V433 WeakPolarHBondContact O-CA 3.46Å; R408-V433 WeakPolarHBondContact O-CG1 3.36Å; V409-V433 HydrophobicContact CG1-CG2 4.06Å; V409-V433 HydrophobicContact CG2-CG2 4.49Å; V433-V435 HydrophobicContact CG1-CG2 3.66Å; V433-L461 HydrophobicContact CB-CD1 4.35Å; V433-L461 HydrophobicContact CG2-CD1 3.63Å; V433-K479 WeakPolarHBondContact O-CA 3.23Å; V433-Y480 PolarHBondContact N-O 3.2Å; V433-Y480 PolarHBondContact O-N 3.12Å; V433-I482 HydrophobicContact CG2-CD1 3.73Å; V433-I482 HydrophobicContact CG2-CG1 3.73Å; V433-I500 HydrophobicContact CB-CD1 4.45Å; V433-I500 HydrophobicContact CG1-CD1 3.96Å; V433-I500 HydrophobicContact CG1-CG2 4.28Å; V433-I500 HydrophobicContact CG2-CD1 3.58Å; V433-I500 HydrophobicContact CG2-CG1 4.31Å
434E88.3Confident83.9Confident51 Ų5135.7 Ų35.724%0.23822%0.224CC..EExtended strand (participates in β ladder)trans-90.6123.6167.3-63-160.4149.100108.4R408 L410 I432 K479R408-E434 PolarHBondContact N-O 2.75Å; R408-E434 PolarHBondContact O-N 2.84Å; R408-E434 VanDerWaalsContact O-O 3.11Å; L410-E434 VanDerWaalsContact CD1-CD 3.4Å; L410-E434 HydrophobicContact CD1-CG 3.93Å; L410-E434 HydrophobicContact CG-CG 4.25Å; I432-E434 HydrophobicContact CG2-CG 3.96Å; I432-E434 PolarHBondContact O-N 2.99Å; E434-K479 HydrophobicContact CG-CD 4.34Å; E434-K479 HydrophobicContact CG-CG 4.48Å; E434-K479 WeakPolarHBondContact OE1-CE 3.34Å; E434-K479 IonicContact OE1-NZ 2.77Å; E434-K479 PolarHBondContact OE1-NZ 3.03Å
435V87.6Confident83.9Confident0 Ų038.9 Ų38.90%024%0.24CC..EExtended strand (participates in β ladder)trans-120.3115.9-178.1-174.60000105.6R406 V433 V446 C448 N477 Q478 Y480R406-V435 WeakPolarHBondContact O-CA 3.33Å; V433-V435 HydrophobicContact CG1-CG2 3.66Å; V435-V446 HydrophobicContact CG1-CB 3.77Å; V435-V446 HydrophobicContact CG1-CG1 3.6Å; V435-V446 HydrophobicContact CG1-CG2 3.84Å; V435-C448 VanDerWaalsContact CG2-SG 3.51Å; V435-N477 CarbonylContact O-C 3.46Å; V435-N477 WeakPolarHBondContact O-CA 3.33Å; V435-Q478 HydrophobicContact CB-CB 4.25Å; V435-Q478 PolarHBondContact N-O 3.5Å; V435-Q478 PolarHBondContact O-N 2.83Å; V435-Y480 HydrophobicContact CB-CE2 4.45Å; V435-Y480 HydrophobicContact CG2-CD2 3.81Å; V435-Y480 HydrophobicContact CG2-CE2 3.87Å
436S86Confident84.1Confident33 Ų3335.6 Ų35.623%0.23122%0.217CC..EExtended strand (participates in β ladder)trans-123.3107.9175.5550000108.9R406 N477R406-S436 WeakPolarHBondContact CA-O 3.22Å; R406-S436 VanDerWaalsContact CB-O 3.23Å; R406-S436 WeakPolarHBondContact CB-O 3.21Å; R406-S436 PolarHBondContact N-O 3.1Å; R406-S436 PolarHBondContact O-N 2.66Å; S436-N477 VanDerWaalsContact CB-OD1 3.29Å; S436-N477 WeakPolarHBondContact CB-OD1 3.27Å
437D83.5Confident84.3Confident6 Ų635 Ų353%0.03221%0.21CC..  trans-67.9162.3162.4-143-76.7000110.8P405 D439 V446 S476P405-D437 VanDerWaalsContact CA-OD2 3.23Å; P405-D437 WeakPolarHBondContact CA-OD2 3.43Å; P405-D437 VanDerWaalsContact CD-OD2 3.32Å; P405-D437 WeakPolarHBondContact CD-OD2 3.1Å; P405-D437 WeakPolarHBondContact CG-OD2 3.38Å; D437-D439 PolarHBondContact OD1-N 2.57Å; D437-V446 HydrophobicContact CB-CG2 3.74Å; D437-S476 VanDerWaalsContact O-CB 3.3Å; D437-S476 WeakPolarHBondContact O-CB 3.15Å; D437-S476 PolarHBondContact O-OG 2.88Å
438G76.9Confident84.6Confident12 Ų1234.1 Ų34.112%0.12420%0.198CC..SBendtrans-78.4-42.6170.700000113.1R357R357-G438 WeakPolarHBondContact CD-O 3.3Å; R357-G438 PolarHBondContact NE-O 3.05Å
439D84.1Confident85Confident2 Ų235.6 Ų35.61%0.01120%0.203CC..SBendtrans-88.1-164.7-159.4-55.7-19.1000111.6R357 N401 D402 H403 D437 N443 A444R357-D439 WeakPolarHBondContact CD-OD1 3.1Å; N401-D439 VanDerWaalsContact C-OD2 3.3Å; N401-D439 WeakPolarHBondContact CA-OD2 3.32Å; D402-D439 PolarHBondContact N-OD2 3.23Å; H403-D439 WeakPolarHBondContact CB-OD1 3.03Å; H403-D439 IonicContact CG-OD1 2.65Å; H403-D439 PolarHBondContact N-OD1 3.07Å; H403-D439 PolarHBondContact N-OD2 2.86Å; H403-D439 IonicContact ND1-OD1 3.85Å; H403-D439 PolarHBondContact ND1-OD1 2.85Å; D437-D439 PolarHBondContact OD1-N 2.57Å; D439-N443 HydrophobicContact CB-CB 3.38Å; D439-A444 WeakPolarHBondContact O-CB 3.05Å
440T79.7Confident85.3Confident26 Ų2633.3 Ų33.316%0.1619%0.191CC..  trans-131171.1178.5570000115.3Y356 D399 T442 N443 A444Y356-T440 HydrophobicContact CE1-CG2 3.53Å; Y356-T440 VanDerWaalsContact CE1-OG1 3.23Å; Y356-T440 WeakPolarHBondContact CE1-OG1 3.27Å; Y356-T440 PolarHBondContact OH-OG1 2.95Å; D399-T440 VanDerWaalsContact CB-OG1 3.27Å; D399-T440 WeakPolarHBondContact CB-OG1 3.44Å; D399-T440 WeakPolarHBondContact OD1-CB 3.46Å; D399-T440 PolarHBondContact OD1-N 2.89Å; D399-T440 PolarHBondContact OD1-OG1 2.93Å; D399-T440 PolarHBondContact OD2-N 2.86Å; T440-T442 PolarHBondContact O-N 3.28Å; T440-N443 WeakPolarHBondContact O-CB 3.4Å; T440-N443 PolarHBondContact O-N 2.9Å; T440-A444 PolarHBondContact O-N 2.75Å
441G78.6Confident85.6Confident52 Ų5235.9 Ų35.954%0.53620%0.204SC..THydrogen-bonded Turntrans63.6-122.6-178.900000112.9N443G441-N443 VanDerWaalsContact C-N 3.33Å
442T82.4Confident85.7Confident90 Ų9041.7 Ų41.755%0.55224%0.235SC*.THydrogen-bonded Turntrans-73.2-26.9173.6420000113T440 A444 L445 G505T440-T442 PolarHBondContact O-N 3.28Å; T442-A444 VanDerWaalsContact C-N 3.33Å; T442-L445 WeakPolarHBondContact O-CB 3.29Å; T442-L445 PolarHBondContact O-N 3.08Å; T442-G505 CarbonylContact O-C 3.52Å; T442-G505 VanDerWaalsContact O-CA 3.24Å; T442-G505 WeakPolarHBondContact O-CA 3.39Å; T442-G505 PolarHBondContact O-N 2.91Å
443N81.6Confident85.8Confident23 Ų2340.9 Ų40.912%0.12323%0.23CC..THydrogen-bonded Turntrans-69-40.4-178.5-49.8-11.5000108.4D399 N401 D439 T440 G441 L445 D504D399-N443 PolarHBondContact OD2-ND2 3.01Å; N401-N443 HydrophobicContact CB-CB 4.04Å; N401-N443 VanDerWaalsContact OD1-CA 3.27Å; N401-N443 WeakPolarHBondContact OD1-CA 3.44Å; N401-N443 WeakPolarHBondContact OD1-CB 3.34Å; N401-N443 PolarHBondContact OD1-OD1 2.03Å; D439-N443 HydrophobicContact CB-CB 3.38Å; T440-N443 WeakPolarHBondContact O-CB 3.4Å; T440-N443 PolarHBondContact O-N 2.9Å; G441-N443 VanDerWaalsContact C-N 3.33Å; N443-L445 PolarHBondContact O-N 2.93Å; N443-L445 VanDerWaalsContact O-N 3.14Å; N443-D504 WeakPolarHBondContact O-CB 3.49Å
444A80.3Confident85.7Confident8 Ų844.4 Ų44.47%0.06625%0.252CS..THydrogen-bonded Turntrans-62.5-14.9168.700000116.7D439 T440 T442 V446D439-A444 WeakPolarHBondContact O-CB 3.05Å; T440-A444 PolarHBondContact O-N 2.75Å; T442-A444 VanDerWaalsContact C-N 3.33Å; A444-V446 PolarHBondContact O-N 2.81Å
445L83.7Confident85.5Confident83 Ų8343.4 Ų43.444%0.43525%0.249SC..  trans-87.779-163.4-170.369000111.9T442 N443 D504 G505T442-L445 WeakPolarHBondContact O-CB 3.29Å; T442-L445 PolarHBondContact O-N 3.08Å; N443-L445 PolarHBondContact O-N 2.93Å; N443-L445 VanDerWaalsContact O-N 3.14Å; L445-D504 CarbonylContact O-C 3.59Å; L445-G505 PolarHBondContact O-N 2.8Å; L445-G505 VanDerWaalsContact O-N 3.09Å
446V86.2Confident85.3Confident0 Ų048.1 Ų48.10%028%0.282CS..  trans-68.7152.6178.1-160.10000112.3P405 V435 D437 A444 Q478 C502 H503P405-V446 HydrophobicContact CB-CG1 3.75Å; P405-V446 HydrophobicContact CB-CG2 4.01Å; P405-V446 HydrophobicContact CG-CG1 3.97Å; P405-V446 HydrophobicContact CG-CG2 4.23Å; V435-V446 HydrophobicContact CG1-CB 3.77Å; V435-V446 HydrophobicContact CG1-CG1 3.6Å; V435-V446 HydrophobicContact CG1-CG2 3.84Å; D437-V446 HydrophobicContact CB-CG2 3.74Å; A444-V446 PolarHBondContact O-N 2.81Å; V446-Q478 VanDerWaalsContact O-CD 3.24Å; V446-Q478 PolarHBondContact O-NE2 3.48Å; V446-Q478 PolarHBondContact O-OE1 2.85Å; V446-C502 HydrophobicContact CG1-CB 3.71Å; V446-H503 CarbonylContact C-O 3.53Å; V446-H503 VanDerWaalsContact CA-O 3.23Å; V446-H503 WeakPolarHBondContact CA-O 3.38Å; V446-H503 VanDerWaalsContact CG1-O 3.29Å; V446-H503 WeakPolarHBondContact CG1-O 3.44Å
447H88Confident85.2Confident101 Ų10147.8 Ų47.847%0.46828%0.284SS..EExtended strand (participates in β ladder)trans-131.2119.9166.3-75.6-71.8000109.7C502 H503H447-C502 WeakPolarHBondContact O-CA 3.25Å; H447-H503 PolarHBondContact N-O 2.86Å; H447-H503 PolarHBondContact O-N 2.81Å; H447-H503 VanDerWaalsContact O-N 3.08Å
448C91.3Very high85.5Confident19 Ų1947.8 Ų47.813%0.12828%0.284CS..EExtended strand (participates in β ladder)trans-113.7150.3-176.7-620000113.4V435 L461 Y480 L501 C502V435-C448 VanDerWaalsContact CG2-SG 3.51Å; C448-L461 HydrophobicContact CB-CD2 3.81Å; C448-Y480 HydrophobicContact CB-CD2 4.32Å; C448-Y480 HydrophobicContact CB-CE1 4.2Å; C448-Y480 HydrophobicContact CB-CE2 3.84Å; C448-Y480 PolarHBondContact N-OH 2.87Å; C448-L501 CarbonylContact C-O 3.54Å; C448-L501 WeakPolarHBondContact CA-O 3.23Å; C448-C502 HydrophobicContact CB-CB 4.2Å; C448-C502 WeakPolarHBondContact CB-SG 3.45Å; C448-C502 WeakPolarHBondContact SG-CB 3.41Å; C448-C502 CovalentContact SG-SG 2.03Å; C448-C502 PolarHBondContact SG-SG 3.27Å
449K91.4Very high86.2Confident112 Ų11247.4 Ų47.449%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-148.5152.9173.263.6-169.6177-164.40111.1I451 L501K449-I451 HydrophobicContact CG-CG2 4.29Å; K449-L501 VanDerWaalsContact CE-CD2 3.48Å; K449-L501 HydrophobicContact CG-CB 4.39Å; K449-L501 PolarHBondContact N-O 2.73Å; K449-L501 PolarHBondContact O-N 2.77Å
450I92.1Very high86.5Confident26 Ų2653 Ų5313%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-86137.5168.1-63.3167.1000109.1Q453 L459 L461 I482 F498 T499 I500I450-Q453 HydrophobicContact CG2-CG 3.58Å; I450-Q453 VanDerWaalsContact CG2-NE2 3.3Å; I450-L459 HydrophobicContact CD1-CB 4.1Å; I450-L461 HydrophobicContact CD1-CB 3.92Å; I450-L461 HydrophobicContact CD1-CD1 4.24Å; I450-L461 HydrophobicContact CG1-CB 4Å; I450-L461 HydrophobicContact CG1-CD1 4.35Å; I450-L461 HydrophobicContact CG1-CD2 4.45Å; I450-I482 HydrophobicContact CD1-CG2 4.48Å; I450-F498 HydrophobicContact CD1-CD2 4.15Å; I450-F498 HydrophobicContact CD1-CE2 4.41Å; I450-F498 HydrophobicContact CG1-CD2 4.1Å; I450-F498 HydrophobicContact CG2-CB 3.83Å; I450-F498 HydrophobicContact CG2-CD2 3.96Å; I450-F498 HydrophobicContact CG2-CG 4.34Å; I450-T499 CarbonylContact C-O 3.56Å; I450-T499 WeakPolarHBondContact CA-O 3.3Å; I450-I500 HydrophobicContact CG1-CG1 4.48Å
451I90.4Very high87Confident55 Ų5553 Ų5328%0.28230%0.3SS..EExtended strand (participates in β ladder)trans-130169169.862.8175000109.1K449 Q453 T499 L501K449-I451 HydrophobicContact CG-CG2 4.29Å; I451-Q453 PolarHBondContact O-N 2.71Å; I451-T499 HydrophobicContact CD1-CG2 4.38Å; I451-T499 HydrophobicContact CG1-CG2 4.14Å; I451-T499 WeakPolarHBondContact CG1-O 3.21Å; I451-T499 PolarHBondContact N-O 3.38Å; I451-T499 PolarHBondContact O-N 2.84Å; I451-T499 VanDerWaalsContact O-O 3.12Å; I451-L501 HydrophobicContact CD1-CB 4.04Å; I451-L501 HydrophobicContact CD1-CD2 4.01Å; I451-L501 HydrophobicContact CG1-CB 4.38Å
452N89.2Confident87.4Confident122 Ų12252.9 Ų52.965%0.65229%0.286SS*.  trans51.946.9171.2-53.2-9.9000114.4
453Q90.9Very high87.5Confident38 Ų3851.8 Ų51.818%0.17828%0.28CS..  trans-73.1137.5169.6-61.5178.422.500109.8I450 I451 T455 G457 L459 E497 F498I450-Q453 HydrophobicContact CG2-CG 3.58Å; I450-Q453 VanDerWaalsContact CG2-NE2 3.3Å; I451-Q453 PolarHBondContact O-N 2.71Å; Q453-T455 PolarHBondContact OE1-O 2.61Å; Q453-G457 VanDerWaalsContact OE1-CA 3.31Å; Q453-L459 PolarHBondContact NE2-O 2.97Å; Q453-L459 VanDerWaalsContact OE1-N 3.11Å; Q453-E497 CarbonylContact C-O 3.57Å; Q453-E497 VanDerWaalsContact CA-O 3.31Å; Q453-E497 WeakPolarHBondContact CA-O 3.47Å; Q453-F498 HydrophobicContact CG-CB 3.97Å
454T88.1Confident87.3Confident73 Ų7353.6 Ų53.645%0.44829%0.289SS..SBendtrans-58.1-56.6170.844.50000110.7E497T454-E497 HydrophobicContact CG2-CB 3.82Å; T454-E497 HydrophobicContact CG2-CG 4.18Å; T454-E497 PolarHBondContact N-O 2.75Å; T454-E497 PolarHBondContact OG1-N 2.87Å
455T83.2Confident86.5Confident30 Ų3059.4 Ų59.418%0.18432%0.319CS..SBendtrans-95.8104.2177.1-40.90000109.1Q453 G457 V458 N493Q453-T455 PolarHBondContact OE1-O 2.61Å; T455-G457 PolarHBondContact O-N 2.92Å; T455-G457 VanDerWaalsContact O-N 3.1Å; T455-V458 HydrophobicContact CG2-CG2 3.46Å; T455-V458 VanDerWaalsContact CG2-CG2 3.46Å; T455-V458 WeakPolarHBondContact O-CG2 3.43Å; T455-V458 PolarHBondContact O-N 3.39Å; T455-N493 PolarHBondContact OG1-ND2 2.9Å; T455-N493 PolarHBondContact OG1-OD1 3.12Å
456S83.3Confident85.1Confident99 Ų9960.7 Ų60.769%0.69233%0.325SS*.THydrogen-bonded Turntrans-59111.6-164.8-177.50000113.8K486S456-K486 PolarHBondContact O-NZ 3.5Å
457G84.4Confident83Confident27 Ų2769.9 Ų69.928%0.27837%0.368SS..THydrogen-bonded Turntrans73.535.3176.100000113.6Q453 T455 K486Q453-G457 VanDerWaalsContact OE1-CA 3.31Å; T455-G457 PolarHBondContact O-N 2.92Å; T455-G457 VanDerWaalsContact O-N 3.1Å; G457-K486 VanDerWaalsContact O-CD 3.24Å; G457-K486 WeakPolarHBondContact O-CD 3.5Å; G457-K486 WeakPolarHBondContact O-CE 3.5Å; G457-K486 WeakPolarHBondContact O-CG 3.18Å
458V89.8Confident80.9Confident5 Ų568.5 Ų68.53%0.0338%0.381CS..SBendtrans-82.2-36.8167.6169.90000110.9T455 E485 K486 I488 I496T455-V458 HydrophobicContact CG2-CG2 3.46Å; T455-V458 VanDerWaalsContact CG2-CG2 3.46Å; T455-V458 WeakPolarHBondContact O-CG2 3.43Å; T455-V458 PolarHBondContact O-N 3.39Å; V458-E485 PolarHBondContact O-N 3.34Å; V458-K486 HydrophobicContact CG2-CB 4.19Å; V458-K486 HydrophobicContact CG2-CD 4.11Å; V458-I488 HydrophobicContact CG1-CD1 3.83Å; V458-I488 HydrophobicContact CG1-CG1 3.58Å; V458-I496 HydrophobicContact CG1-CD1 3.76Å
459L91.6Very high78.4Confident4 Ų471.5 Ų71.52%0.02140%0.399CS..EExtended strand (participates in β ladder)trans-102.9138.6-179.5-55.5175.7000110.9I450 Q453 I482 I496 F498 I518I450-L459 HydrophobicContact CD1-CB 4.1Å; Q453-L459 PolarHBondContact NE2-O 2.97Å; Q453-L459 VanDerWaalsContact OE1-N 3.11Å; L459-I482 HydrophobicContact CB-CG2 4.16Å; L459-I482 HydrophobicContact CD1-CG2 4.32Å; L459-I482 HydrophobicContact CD2-CG2 4.02Å; L459-I482 HydrophobicContact CG-CG2 4.4Å; L459-I496 HydrophobicContact CD1-CG2 3.66Å; L459-I496 HydrophobicContact CD2-CD1 4.44Å; L459-I496 HydrophobicContact CG-CG2 4.05Å; L459-F498 HydrophobicContact CD1-CB 4.11Å; L459-F498 HydrophobicContact CD1-CD1 3.47Å; L459-F498 VanDerWaalsContact CD1-CD1 3.47Å; L459-F498 HydrophobicContact CD1-CD2 4.24Å; L459-F498 HydrophobicContact CD1-CE1 3.88Å; L459-F498 HydrophobicContact CD1-CG 3.68Å; L459-F498 HydrophobicContact CD1-CZ 4.4Å; L459-I518 HydrophobicContact CD1-CD1 3.58Å; L459-I518 HydrophobicContact CD2-CD1 3.82Å; L459-I518 HydrophobicContact CG-CD1 4.36Å
460R90.8Very high75.7Confident119 Ų11974 Ų7445%0.44941%0.412SS..EExtended strand (participates in β ladder)trans-124.3134.5172.5176.6168.7161.7-174.8-5.7110.8I462 T483 E485R460-I462 HydrophobicContact CG-CD1 4.44Å; R460-I462 HydrophobicContact CG-CG1 3.87Å; R460-T483 PolarHBondContact N-O 3.4Å; R460-T483 PolarHBondContact O-N 2.72Å; R460-T483 PolarHBondContact O-OG1 2.81Å; R460-T483 VanDerWaalsContact O-OG1 3.14Å; R460-E485 HydrophobicContact CB-CB 3.99Å; R460-E485 WeakPolarHBondContact CD-OE1 3.27Å; R460-E485 WeakPolarHBondContact CD-OE2 3.27Å; R460-E485 IonicContact CZ-OE1 2.74Å; R460-E485 IonicContact NE-OE1 3.87Å; R460-E485 IonicContact NH1-OE1 3.48Å; R460-E485 PolarHBondContact NH1-OE1 2.9Å
461L90.3Very high72.9Confident28 Ų2881.3 Ų81.315%0.14745%0.451CS..EExtended strand (participates in β ladder)trans-90.3114.8173.8-161.367.8000108.8V433 C448 I450 Y480 I482V433-L461 HydrophobicContact CB-CD1 4.35Å; V433-L461 HydrophobicContact CG2-CD1 3.63Å; C448-L461 HydrophobicContact CB-CD2 3.81Å; I450-L461 HydrophobicContact CD1-CB 3.92Å; I450-L461 HydrophobicContact CD1-CD1 4.24Å; I450-L461 HydrophobicContact CG1-CB 4Å; I450-L461 HydrophobicContact CG1-CD1 4.35Å; I450-L461 HydrophobicContact CG1-CD2 4.45Å; L461-Y480 HydrophobicContact CD1-CG 4.26Å; L461-Y480 HydrophobicContact CD2-CD1 3.91Å; L461-Y480 HydrophobicContact CD2-CE1 4.43Å; L461-Y480 HydrophobicContact CD2-CG 4.13Å; L461-Y480 HydrophobicContact CG-CD1 3.79Å; L461-Y480 HydrophobicContact CG-CG 3.98Å; L461-I482 HydrophobicContact CD1-CG1 4.1Å
462I86.4Confident70.3Confident48 Ų4882.1 Ų82.125%0.24647%0.472CS..EExtended strand (participates in β ladder)trans-113.2124.9178.3-58-174000108.5R460 I464 Y480 K481 T483R460-I462 HydrophobicContact CG-CD1 4.44Å; R460-I462 HydrophobicContact CG-CG1 3.87Å; I462-I464 PolarHBondContact O-N 3.27Å; I462-Y480 CarbonylContact O-C 3.53Å; I462-Y480 VanDerWaalsContact O-CA 3.25Å; I462-Y480 WeakPolarHBondContact O-CA 3.43Å; I462-K481 HydrophobicContact CB-CG 3.92Å; I462-K481 HydrophobicContact CG2-CG 4.45Å; I462-K481 PolarHBondContact N-O 3.25Å; I462-K481 PolarHBondContact O-N 2.86Å; I462-T483 HydrophobicContact CD1-CG2 3.94Å; I462-T483 WeakPolarHBondContact CD1-OG1 3.25Å
463P84.9Confident67.9Low67 Ų6782.4 Ų82.444%0.43547%0.473SS..EExtended strand (participates in β ladder)trans-64.1131.2173.627.4-33.6000109.9N465 Y480P463-N465 VanDerWaalsContact C-N 3.33Å; P463-N465 PolarHBondContact O-N 2.85Å; P463-Y480 HydrophobicContact CB-CD1 4Å; P463-Y480 HydrophobicContact CB-CE1 4.06Å
464I78.2Confident65.7Low62 Ų6284.7 Ų84.732%0.31849%0.49SS..  trans-8186.4175.2-51.5-179.2000107.3I432 I462 I466 K479 K481I432-I464 HydrophobicContact CG2-CD1 4.38Å; I462-I464 PolarHBondContact O-N 3.27Å; I464-I466 PolarHBondContact O-N 2.89Å; I464-K479 HydrophobicContact CB-CB 4.3Å; I464-K479 WeakPolarHBondContact CB-O 3.47Å; I464-K479 HydrophobicContact CD1-CB 3.85Å; I464-K479 HydrophobicContact CG1-CB 4.3Å; I464-K479 WeakPolarHBondContact CG1-O 3.48Å; I464-K479 PolarHBondContact N-O 3.14Å; I464-K481 HydrophobicContact CD1-CB 3.88Å; I464-K481 HydrophobicContact CG1-CB 3.87Å; I464-K481 HydrophobicContact CG1-CD 4.21Å; I464-K481 HydrophobicContact CG1-CG 4.1Å
465N62Low63.9Low129 Ų12985.1 Ų85.169%0.6950%0.496SS*.  trans-62.1108.6171.2-75.1-3.7000109P463 E467P463-N465 VanDerWaalsContact C-N 3.33Å; P463-N465 PolarHBondContact O-N 2.85Å; N465-E467 VanDerWaalsContact C-N 3.32Å; N465-E467 PolarHBondContact O-N 2.59Å
466I54.1Low62.6Low110 Ų11084.8 Ų84.856%0.56450%0.495SS*.  trans-78.185.3176.1-48.1178.5000108.4I464 G468 V469I464-I466 PolarHBondContact O-N 2.89Å; I466-G468 PolarHBondContact O-N 2.93Å; I466-V469 HydrophobicContact CB-CG2 3.88Å; I466-V469 HydrophobicContact CG2-CG2 3.67Å; I466-V469 PolarHBondContact O-N 2.84Å
467E43.7Very low61.8Low193 Ų19384.9 Ų84.990%0.90249%0.487SS*.THydrogen-bonded Turntrans-58.9105.2172.8-66.7-166157.200109.8N465N465-E467 VanDerWaalsContact C-N 3.32Å; N465-E467 PolarHBondContact O-N 2.59Å
468G43.5Very low61.6Low72 Ų7285.5 Ų85.574%0.74248%0.483SS*.THydrogen-bonded Turntrans138-20.6-176.500000114.6I466 H470I466-G468 PolarHBondContact O-N 2.93Å; G468-H470 PolarHBondContact O-N 3.23Å
469V38.8Very low61.4Low82 Ų8289.1 Ų89.150%0.49750%0.498SS..  trans-77.9106.3176.9-176.70000110I466 L473I466-V469 HydrophobicContact CB-CG2 3.88Å; I466-V469 HydrophobicContact CG2-CG2 3.67Å; I466-V469 PolarHBondContact O-N 2.84Å; V469-L473 HydrophobicContact CG1-CB 4.41Å; V469-L473 HydrophobicContact CG1-CD1 4.05Å
470H34.7Very low61.2Low164 Ų16489.9 Ų89.976%0.75950%0.501SS*.  trans-62.4143.9175.3-102.2-59.9000112.1G468 G472G468-H470 PolarHBondContact O-N 3.23Å; H470-G472 PolarHBondContact O-N 3.44Å; H470-G472 VanDerWaalsContact O-N 3.14Å
471L33.1Very low61.1Low181 Ų18186.6 Ų86.695%0.94849%0.49SS*.THydrogen-bonded Turntrans-40112.1169.6-67.5141.6000112.2
472G36.4Very low61.1Low71 Ų7185.3 Ų85.373%0.73248%0.483SS*.THydrogen-bonded Turntrans147-17.617000000116.8H470 T474H470-G472 PolarHBondContact O-N 3.44Å; H470-G472 VanDerWaalsContact O-N 3.14Å; G472-T474 PolarHBondContact O-N 2.89Å
473L37.5Very low61.3Low129 Ų12983.2 Ų83.268%0.67547%0.473SS*.  trans-86.4113.6-175.8-75.4166.6000112.8V469 S475V469-L473 HydrophobicContact CG1-CB 4.41Å; V469-L473 HydrophobicContact CG1-CD1 4.05Å; L473-S475 PolarHBondContact O-N 2.97Å
474T45.2Very low61.5Low86 Ų8680.1 Ų80.153%0.52845%0.453SS..  trans-76.437.8178.448.70000113.4G472 S476G472-T474 PolarHBondContact O-N 2.89Å; T474-S476 PolarHBondContact O-N 3.36Å
475S49.6Very low62Low82 Ų8281.6 Ų81.657%0.57346%0.458SS*.  trans-82.5108.9-174.9-55.90000111.2L473 N477L473-S475 PolarHBondContact O-N 2.97Å; S475-N477 PolarHBondContact O-N 2.91Å
476S57.4Low63.2Low23 Ų2380.3 Ų80.316%0.16145%0.446CS..  trans-64.8-10.3-177.968.10000115.1D437 T474 Q478D437-S476 VanDerWaalsContact O-CB 3.3Å; D437-S476 WeakPolarHBondContact O-CB 3.15Å; D437-S476 PolarHBondContact O-OG 2.88Å; T474-S476 PolarHBondContact O-N 3.36Å; S476-Q478 VanDerWaalsContact C-N 3.27Å; S476-Q478 PolarHBondContact O-N 2.83Å
477N66.4Low64.7Low100 Ų10084.4 Ų84.454%0.53546%0.455SS..EExtended strand (participates in β ladder)trans-70.170.3179.1-73.2-25.8000113V435 S436 S475V435-N477 CarbonylContact O-C 3.46Å; V435-N477 WeakPolarHBondContact O-CA 3.33Å; S436-N477 VanDerWaalsContact CB-OD1 3.29Å; S436-N477 WeakPolarHBondContact CB-OD1 3.27Å; S475-N477 PolarHBondContact O-N 2.91Å
478Q79.2Confident66.8Low41 Ų4175.8 Ų75.819%0.19242%0.415CS..EExtended strand (participates in β ladder)trans-69.8134165.3-61.2-176.41.500109.8V435 V446 S476 Y480V435-Q478 HydrophobicContact CB-CB 4.25Å; V435-Q478 PolarHBondContact N-O 3.5Å; V435-Q478 PolarHBondContact O-N 2.83Å; V446-Q478 VanDerWaalsContact O-CD 3.24Å; V446-Q478 PolarHBondContact O-NE2 3.48Å; V446-Q478 PolarHBondContact O-OE1 2.85Å; S476-Q478 VanDerWaalsContact C-N 3.27Å; S476-Q478 PolarHBondContact O-N 2.83Å; Q478-Y480 HydrophobicContact CB-CD2 4.49Å; Q478-Y480 HydrophobicContact CB-CE2 3.86Å; Q478-Y480 PolarHBondContact OE1-OH 3.08Å
479K84.8Confident68.9Low81 Ų8175.8 Ų75.835%0.35240%0.398SS..EExtended strand (participates in β ladder)trans-114.1133.9171.3-55.7-161.4-173.8-161.40109.8I432 V433 E434 I464I432-K479 HydrophobicContact CG2-CB 4.2Å; I432-K479 HydrophobicContact CG2-CD 4.14Å; V433-K479 WeakPolarHBondContact O-CA 3.23Å; E434-K479 HydrophobicContact CG-CD 4.34Å; E434-K479 HydrophobicContact CG-CG 4.48Å; E434-K479 WeakPolarHBondContact OE1-CE 3.34Å; E434-K479 IonicContact OE1-NZ 2.77Å; E434-K479 PolarHBondContact OE1-NZ 3.03Å; I464-K479 HydrophobicContact CB-CB 4.3Å; I464-K479 WeakPolarHBondContact CB-O 3.47Å; I464-K479 HydrophobicContact CD1-CB 3.85Å; I464-K479 HydrophobicContact CG1-CB 4.3Å; I464-K479 WeakPolarHBondContact CG1-O 3.48Å; I464-K479 PolarHBondContact N-O 3.14Å
480Y88.7Confident71.5Confident20 Ų2072.8 Ų72.88%0.07838%0.378CS..EExtended strand (participates in β ladder)trans-120.5134.9171.4-59.1-108000108.5V433 V435 C448 L461 I462 P463 Q478V433-Y480 PolarHBondContact N-O 3.2Å; V433-Y480 PolarHBondContact O-N 3.12Å; V435-Y480 HydrophobicContact CB-CE2 4.45Å; V435-Y480 HydrophobicContact CG2-CD2 3.81Å; V435-Y480 HydrophobicContact CG2-CE2 3.87Å; C448-Y480 HydrophobicContact CB-CD2 4.32Å; C448-Y480 HydrophobicContact CB-CE1 4.2Å; C448-Y480 HydrophobicContact CB-CE2 3.84Å; C448-Y480 PolarHBondContact N-OH 2.87Å; L461-Y480 HydrophobicContact CD1-CG 4.26Å; L461-Y480 HydrophobicContact CD2-CD1 3.91Å; L461-Y480 HydrophobicContact CD2-CE1 4.43Å; L461-Y480 HydrophobicContact CD2-CG 4.13Å; L461-Y480 HydrophobicContact CG-CD1 3.79Å; L461-Y480 HydrophobicContact CG-CG 3.98Å; I462-Y480 CarbonylContact O-C 3.53Å; I462-Y480 VanDerWaalsContact O-CA 3.25Å; I462-Y480 WeakPolarHBondContact O-CA 3.43Å; P463-Y480 HydrophobicContact CB-CD1 4Å; P463-Y480 HydrophobicContact CB-CE1 4.06Å; Q478-Y480 HydrophobicContact CB-CD2 4.49Å; Q478-Y480 HydrophobicContact CB-CE2 3.86Å; Q478-Y480 PolarHBondContact OE1-OH 3.08Å
481K88.3Confident74Confident50 Ų5067.1 Ų67.122%0.21735%0.351CS..EExtended strand (participates in β ladder)trans-90.7131.8172.466.9-167.2-143.192.80109.7D429 I462 I464 T483D429-K481 VanDerWaalsContact OD1-CB 3.25Å; D429-K481 WeakPolarHBondContact OD1-CB 3.49Å; D429-K481 VanDerWaalsContact OD1-CD 3.27Å; D429-K481 WeakPolarHBondContact OD1-CD 3.38Å; D429-K481 WeakPolarHBondContact OD1-CE 3.32Å; D429-K481 VanDerWaalsContact OD1-CG 3.27Å; D429-K481 WeakPolarHBondContact OD1-CG 3.5Å; D429-K481 IonicContact OD1-NZ 3.85Å; D429-K481 PolarHBondContact OD1-NZ 2.83Å; D429-K481 IonicContact OD2-NZ 2.8Å; D429-K481 PolarHBondContact OD2-NZ 2.83Å; I462-K481 HydrophobicContact CB-CG 3.92Å; I462-K481 HydrophobicContact CG2-CG 4.45Å; I462-K481 PolarHBondContact N-O 3.25Å; I462-K481 PolarHBondContact O-N 2.86Å; I464-K481 HydrophobicContact CD1-CB 3.88Å; I464-K481 HydrophobicContact CG1-CB 3.87Å; I464-K481 HydrophobicContact CG1-CD 4.21Å; I464-K481 HydrophobicContact CG1-CG 4.1Å; K481-T483 HydrophobicContact CD-CG2 4.48Å; K481-T483 HydrophobicContact CG-CG2 4.13Å; K481-T483 PolarHBondContact O-N 3.29Å
482I91.1Very high76.5Confident0 Ų065.4 Ų65.40%034%0.338CS..EExtended strand (participates in β ladder)trans-85.3104.2171.6-56.9171.7000106.2V409 L418 V430 G431 V433 I450 L459 L461 F498V409-I482 HydrophobicContact CG1-CD1 3.65Å; L418-I482 HydrophobicContact CD1-CD1 4.22Å; V430-I482 HydrophobicContact CB-CB 4.5Å; V430-I482 HydrophobicContact CB-CG2 4.33Å; V430-I482 WeakPolarHBondContact CB-O 3.46Å; V430-I482 PolarHBondContact N-O 3.11Å; G431-I482 WeakPolarHBondContact O-CB 3.38Å; G431-I482 PolarHBondContact O-N 3.12Å; V433-I482 HydrophobicContact CG2-CD1 3.73Å; V433-I482 HydrophobicContact CG2-CG1 3.73Å; I450-I482 HydrophobicContact CD1-CG2 4.48Å; L459-I482 HydrophobicContact CB-CG2 4.16Å; L459-I482 HydrophobicContact CD1-CG2 4.32Å; L459-I482 HydrophobicContact CD2-CG2 4.02Å; L459-I482 HydrophobicContact CG-CG2 4.4Å; L461-I482 HydrophobicContact CD1-CG1 4.1Å; I482-F498 HydrophobicContact CD1-CE2 3.79Å; I482-F498 HydrophobicContact CD1-CZ 3.66Å
483T89.9Confident78.8Confident5 Ų564.3 Ų64.33%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-98.2145.4176.745.50000112.6G427 Q428 D429 R460 I462 K481 E485G427-T483 WeakPolarHBondContact O-CG2 3.06Å; Q428-T483 VanDerWaalsContact O-CA 3.3Å; Q428-T483 WeakPolarHBondContact O-CA 3.36Å; D429-T483 WeakPolarHBondContact OD1-CG2 3.34Å; R460-T483 PolarHBondContact N-O 3.4Å; R460-T483 PolarHBondContact O-N 2.72Å; R460-T483 PolarHBondContact O-OG1 2.81Å; R460-T483 VanDerWaalsContact O-OG1 3.14Å; I462-T483 HydrophobicContact CD1-CG2 3.94Å; I462-T483 WeakPolarHBondContact CD1-OG1 3.25Å; K481-T483 HydrophobicContact CD-CG2 4.48Å; K481-T483 HydrophobicContact CG-CG2 4.13Å; K481-T483 PolarHBondContact O-N 3.29Å; T483-E485 PolarHBondContact O-N 2.89Å
484V89.9Confident81.1Confident2 Ų264.7 Ų64.71%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-64118.3161.7-177.60000110.2I420 L426 G427 Q428 V430 K486 I488I420-V484 HydrophobicContact CD1-CG2 3.3Å; L426-V484 HydrophobicContact CD2-CG1 4.22Å; G427-V484 PolarHBondContact N-O 2.89Å; Q428-V484 HydrophobicContact CB-CB 4.42Å; Q428-V484 HydrophobicContact CB-CG2 3.98Å; Q428-V484 PolarHBondContact O-N 2.8Å; Q428-V484 VanDerWaalsContact O-N 3.08Å; V430-V484 HydrophobicContact CG2-CG2 3.58Å; V484-K486 WeakPolarHBondContact CG1-O 3.33Å; V484-I488 HydrophobicContact CG1-CD1 4.09Å; V484-I488 HydrophobicContact CG1-CG1 4.36Å; V484-I488 HydrophobicContact CG2-CD1 3.9Å
485E88.8Confident83.2Confident92 Ų9263 Ų6343%0.4330%0.303SS..  trans-107-15174.7-174.4156.6-118.800113V458 R460 T483V458-E485 PolarHBondContact O-N 3.34Å; R460-E485 HydrophobicContact CB-CB 3.99Å; R460-E485 WeakPolarHBondContact CD-OE1 3.27Å; R460-E485 WeakPolarHBondContact CD-OE2 3.27Å; R460-E485 IonicContact CZ-OE1 2.74Å; R460-E485 IonicContact NE-OE1 3.87Å; R460-E485 IonicContact NH1-OE1 3.48Å; R460-E485 PolarHBondContact NH1-OE1 2.9Å; T483-E485 PolarHBondContact O-N 2.89Å
486K86.2Confident85.1Confident103 Ų10359.2 Ų59.245%0.44828%0.277SS..SBendtrans-134.2156.3170.6-64.7176.8-179.51780109.7S456 G457 V458 V484S456-K486 PolarHBondContact O-NZ 3.5Å; G457-K486 VanDerWaalsContact O-CD 3.24Å; G457-K486 WeakPolarHBondContact O-CD 3.5Å; G457-K486 WeakPolarHBondContact O-CE 3.5Å; G457-K486 WeakPolarHBondContact O-CG 3.18Å; V458-K486 HydrophobicContact CG2-CB 4.19Å; V458-K486 HydrophobicContact CG2-CD 4.11Å; V484-K486 WeakPolarHBondContact CG1-O 3.33Å
487R85.8Confident86.7Confident195 Ų19563.5 Ų63.574%0.73629%0.294SS*.  trans-54.1149.4171.6-68.9-174.2175.1-148.3-6.9110.9L426L426-R487 HydrophobicContact CD2-CG 4.4Å
488I88Confident88Confident13 Ų1358.9 Ų58.97%0.06727%0.27CS..  trans-122.4137.7178.6-64.9172.2000106.4I420 V458 V484 I496 I520I420-I488 HydrophobicContact CD1-CD1 3.81Å; I420-I488 HydrophobicContact CG2-CD1 4.23Å; V458-I488 HydrophobicContact CG1-CD1 3.83Å; V458-I488 HydrophobicContact CG1-CG1 3.58Å; V484-I488 HydrophobicContact CG1-CD1 4.09Å; V484-I488 HydrophobicContact CG1-CG1 4.36Å; V484-I488 HydrophobicContact CG2-CD1 3.9Å; I488-I496 HydrophobicContact CD1-CD1 3.71Å; I488-I496 HydrophobicContact CG1-CD1 4.04Å; I488-I496 HydrophobicContact CG2-CD1 4.28Å; I488-I520 HydrophobicContact CG2-CB 4.5Å; I488-I520 HydrophobicContact CG2-CD1 3.32Å; I488-I520 HydrophobicContact CG2-CG1 3.64Å; I488-I520 HydrophobicContact CG2-CG2 4.03Å
489D88Confident88.6Confident71 Ų7157.7 Ų57.738%0.3827%0.265SS..  trans-144.9113.6-169176.8119.7000103.8E491 E492 N493D489-E491 VanDerWaalsContact C-N 3.25Å; D489-E491 PolarHBondContact O-N 2.57Å; D489-E492 HydrophobicContact CB-CB 4.35Å; D489-E492 PolarHBondContact O-N 2.86Å; D489-E492 WeakPolarHBondContact OD2-CB 3.37Å; D489-E492 PolarHBondContact OD2-N 2.81Å; D489-N493 PolarHBondContact O-N 2.86Å
490R91.5Very high88.9Confident20 Ų2053.9 Ų53.98%0.07525%0.248CC..THydrogen-bonded Turntrans-70.8-28.6-170.2-169.4-149.465.9100.48.9110.7E422 N493 E494 I520 D522 K562 D563E422-R490 WeakPolarHBondContact OE2-CB 3.3Å; E422-R490 PolarHBondContact OE2-N 2.82Å; R490-N493 CarbonylContact O-C 3.59Å; R490-N493 PolarHBondContact O-N 2.8Å; R490-E494 PolarHBondContact O-N 2.61Å; R490-E494 VanDerWaalsContact O-N 3.16Å; R490-I520 HydrophobicContact CB-CB 4.36Å; R490-I520 HydrophobicContact CB-CG2 3.67Å; R490-I520 HydrophobicContact CG-CB 4.07Å; R490-I520 HydrophobicContact CG-CG2 3.83Å; R490-D522 VanDerWaalsContact CD-OD1 3.23Å; R490-D522 WeakPolarHBondContact CD-OD1 3.15Å; R490-D522 IonicContact CZ-OD1 3.95Å; R490-D522 IonicContact NE-OD1 2.96Å; R490-D522 PolarHBondContact NE-OD1 2.69Å; R490-K562 PolarHBondContact NH2-O 3.26Å; R490-D563 PolarHBondContact NH2-O 2.84Å
491E88.4Confident89.1Confident44 Ų4454.5 Ų54.521%0.20625%0.253CS..THydrogen-bonded Turntrans-72.9-29.8178.4-68.961.3-124.100112.5D489 H526 K562D489-E491 VanDerWaalsContact C-N 3.25Å; D489-E491 PolarHBondContact O-N 2.57Å; E491-H526 IonicContact OE2-CE1 3.95Å; E491-H526 IonicContact OE2-ND1 3.38Å; E491-K562 HydrophobicContact CB-CD 4.13Å; E491-K562 HydrophobicContact CG-CB 3.64Å; E491-K562 HydrophobicContact CG-CD 3.58Å; E491-K562 HydrophobicContact CG-CG 4.34Å
492E85.6Confident89.3Confident145 Ų14552.1 Ų52.168%0.67824%0.243SC*.THydrogen-bonded Turntrans-74.4-40.5166.5-161.5-173.2-161.800111.2D489D489-E492 HydrophobicContact CB-CB 4.35Å; D489-E492 PolarHBondContact O-N 2.86Å; D489-E492 WeakPolarHBondContact OD2-CB 3.37Å; D489-E492 PolarHBondContact OD2-N 2.81Å
493N84.6Confident89.3Confident49 Ų4955.5 Ų55.526%0.26226%0.258SS..  trans-150.3113.7179.6-57.7-97.3000112.8T455 D489 R490 V495 I520T455-N493 PolarHBondContact OG1-ND2 2.9Å; T455-N493 PolarHBondContact OG1-OD1 3.12Å; D489-N493 PolarHBondContact O-N 2.86Å; R490-N493 CarbonylContact O-C 3.59Å; R490-N493 PolarHBondContact O-N 2.8Å; N493-V495 PolarHBondContact O-N 3.41Å; N493-I520 WeakPolarHBondContact O-CD1 3Å
494E85.6Confident89.3Confident137 Ų13755.3 Ų55.364%0.6426%0.257SS*.SBendtrans-62.9-28.9175.9-60.2174.7179.100113.8R490 I520R490-E494 PolarHBondContact O-N 2.61Å; R490-E494 VanDerWaalsContact O-N 3.16Å; E494-I520 PolarHBondContact O-N 3.25Å
495V89.3Confident89Confident49 Ų4956.8 Ų56.830%0.29727%0.273SS..EExtended strand (participates in β ladder)trans-143.1131.7-170.9178.60000110.7N493 E497 R517 I518N493-V495 PolarHBondContact O-N 3.41Å; V495-E497 HydrophobicContact CG1-CG 4.11Å; V495-R517 HydrophobicContact CG1-CB 3.87Å; V495-I518 WeakPolarHBondContact CA-O 3.31Å
496I89.9Confident88.7Confident3 Ų352.9 Ų52.92%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-99.4109.5167.8-57.6161.3000108.6V458 L459 I488 R517 I518 I520V458-I496 HydrophobicContact CG1-CD1 3.76Å; L459-I496 HydrophobicContact CD1-CG2 3.66Å; L459-I496 HydrophobicContact CD2-CD1 4.44Å; L459-I496 HydrophobicContact CG-CG2 4.05Å; I488-I496 HydrophobicContact CD1-CD1 3.71Å; I488-I496 HydrophobicContact CG1-CD1 4.04Å; I488-I496 HydrophobicContact CG2-CD1 4.28Å; I496-R517 CarbonylContact O-C 3.41Å; I496-R517 WeakPolarHBondContact O-CA 3.4Å; I496-I518 PolarHBondContact N-O 2.9Å; I496-I518 PolarHBondContact O-N 2.97Å; I496-I520 HydrophobicContact CD1-CD1 3.94Å; I496-I520 HydrophobicContact CD1-CG1 4.49Å; I496-I520 HydrophobicContact CG1-CD1 3.91Å
497E91Very high88.4Confident114 Ų11455.6 Ų55.653%0.53328%0.275SS..EExtended strand (participates in β ladder)trans-89.4143.6168.1-50.9-168.9130.400110.2Q453 T454 V495Q453-E497 CarbonylContact C-O 3.57Å; Q453-E497 VanDerWaalsContact CA-O 3.31Å; Q453-E497 WeakPolarHBondContact CA-O 3.47Å; T454-E497 HydrophobicContact CG2-CB 3.82Å; T454-E497 HydrophobicContact CG2-CG 4.18Å; T454-E497 PolarHBondContact N-O 2.75Å; T454-E497 PolarHBondContact OG1-N 2.87Å; V495-E497 HydrophobicContact CG1-CG 4.11Å
498F92.8Very high88.3Confident3 Ų350.8 Ų50.81%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-153.9163.8177.565.1-75.5000110.7L418 I450 Q453 L459 I482 I500 S515 Q516 I518L418-F498 HydrophobicContact CD1-CE1 4.3Å; L418-F498 HydrophobicContact CD1-CZ 3.95Å; I450-F498 HydrophobicContact CD1-CD2 4.15Å; I450-F498 HydrophobicContact CD1-CE2 4.41Å; I450-F498 HydrophobicContact CG1-CD2 4.1Å; I450-F498 HydrophobicContact CG2-CB 3.83Å; I450-F498 HydrophobicContact CG2-CD2 3.96Å; I450-F498 HydrophobicContact CG2-CG 4.34Å; Q453-F498 HydrophobicContact CG-CB 3.97Å; L459-F498 HydrophobicContact CD1-CB 4.11Å; L459-F498 HydrophobicContact CD1-CD1 3.47Å; L459-F498 VanDerWaalsContact CD1-CD1 3.47Å; L459-F498 HydrophobicContact CD1-CD2 4.24Å; L459-F498 HydrophobicContact CD1-CE1 3.88Å; L459-F498 HydrophobicContact CD1-CG 3.68Å; L459-F498 HydrophobicContact CD1-CZ 4.4Å; I482-F498 HydrophobicContact CD1-CE2 3.79Å; I482-F498 HydrophobicContact CD1-CZ 3.66Å; F498-I500 HydrophobicContact CD2-CG1 4.15Å; F498-I500 HydrophobicContact CE2-CD1 3.95Å; F498-I500 HydrophobicContact CE2-CG1 3.84Å; F498-S515 WeakPolarHBondContact O-CA 3.17Å; F498-Q516 HydrophobicContact CD1-CB 4.41Å; F498-Q516 VanDerWaalsContact CD1-O 3.3Å; F498-Q516 WeakPolarHBondContact CD1-O 3.24Å; F498-Q516 HydrophobicContact CE1-CB 3.81Å; F498-Q516 HydrophobicContact CE1-CG 3.7Å; F498-Q516 HydrophobicContact CE2-CB 4.07Å; F498-Q516 HydrophobicContact CE2-CG 4.38Å; F498-Q516 HydrophobicContact CZ-CB 3.62Å; F498-Q516 HydrophobicContact CZ-CG 3.51Å; F498-Q516 PolarHBondContact N-O 2.7Å; F498-Q516 PolarHBondContact O-N 3.1Å; F498-Q516 VanDerWaalsContact O-O 3.05Å; F498-I518 HydrophobicContact CD1-CD1 4.19Å; F498-I518 HydrophobicContact CE1-CD1 3.52Å; F498-I518 HydrophobicContact CE1-CG1 3.89Å; F498-I518 HydrophobicContact CZ-CD1 4.15Å
499T92Very high88.3Confident16 Ų1653.1 Ų53.110%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-126.5126.8175.2-630000110.6I450 I451 L514 S515I450-T499 CarbonylContact C-O 3.56Å; I450-T499 WeakPolarHBondContact CA-O 3.3Å; I451-T499 HydrophobicContact CD1-CG2 4.38Å; I451-T499 HydrophobicContact CG1-CG2 4.14Å; I451-T499 WeakPolarHBondContact CG1-O 3.21Å; I451-T499 PolarHBondContact N-O 3.38Å; I451-T499 PolarHBondContact O-N 2.84Å; I451-T499 VanDerWaalsContact O-O 3.12Å; T499-L514 CarbonylContact C-O 3.48Å; T499-L514 WeakPolarHBondContact CA-O 3.24Å; T499-S515 PolarHBondContact OG1-OG 3.42Å
500I92.5Very high88.4Confident0 Ų051.1 Ų51.10%028%0.275CS..EExtended strand (participates in β ladder)trans-86.1129.4171.8-58.6155.9000107.7V407 V409 V433 I450 F498 T513 L514V407-I500 HydrophobicContact CG1-CB 4.41Å; V407-I500 HydrophobicContact CG1-CD1 4.34Å; V407-I500 HydrophobicContact CG1-CG2 3.93Å; V409-I500 HydrophobicContact CG2-CD1 3.43Å; V409-I500 VanDerWaalsContact CG2-CD1 3.43Å; V433-I500 HydrophobicContact CB-CD1 4.45Å; V433-I500 HydrophobicContact CG1-CD1 3.96Å; V433-I500 HydrophobicContact CG1-CG2 4.28Å; V433-I500 HydrophobicContact CG2-CD1 3.58Å; V433-I500 HydrophobicContact CG2-CG1 4.31Å; I450-I500 HydrophobicContact CG1-CG1 4.48Å; F498-I500 HydrophobicContact CD2-CG1 4.15Å; F498-I500 HydrophobicContact CE2-CD1 3.95Å; F498-I500 HydrophobicContact CE2-CG1 3.84Å; I500-T513 CarbonylContact O-C 3.51Å; I500-T513 VanDerWaalsContact O-CA 3.3Å; I500-T513 WeakPolarHBondContact O-CA 3.46Å; I500-L514 PolarHBondContact N-O 3.24Å; I500-L514 PolarHBondContact O-N 3.03Å
501L92.9Very high88.4Confident34 Ų3453.6 Ų53.618%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-119.8121.4174.3165.158.6000108.4C448 K449 I451 T511 T513C448-L501 CarbonylContact C-O 3.54Å; C448-L501 WeakPolarHBondContact CA-O 3.23Å; K449-L501 VanDerWaalsContact CE-CD2 3.48Å; K449-L501 HydrophobicContact CG-CB 4.39Å; K449-L501 PolarHBondContact N-O 2.73Å; K449-L501 PolarHBondContact O-N 2.77Å; I451-L501 HydrophobicContact CD1-CB 4.04Å; I451-L501 HydrophobicContact CD1-CD2 4.01Å; I451-L501 HydrophobicContact CG1-CB 4.38Å; L501-T511 HydrophobicContact CD1-CG2 3.5Å; L501-T511 VanDerWaalsContact CD1-CG2 3.5Å; L501-T513 HydrophobicContact CB-CG2 4.34Å; L501-T513 HydrophobicContact CD1-CG2 3.72Å
502C91.6Very high88.6Confident0 Ų053.2 Ų53.20%029%0.293CS..EExtended strand (participates in β ladder)trans-126.7137-177.3-680000110.6P405 V407 V446 H447 C448 T511 T512P405-C502 HydrophobicContact CB-CB 4.31Å; V407-C502 HydrophobicContact CG2-CB 3.77Å; V407-C502 WeakPolarHBondContact CG2-SG 3.23Å; V446-C502 HydrophobicContact CG1-CB 3.71Å; H447-C502 WeakPolarHBondContact O-CA 3.25Å; C448-C502 HydrophobicContact CB-CB 4.2Å; C448-C502 WeakPolarHBondContact CB-SG 3.45Å; C448-C502 WeakPolarHBondContact SG-CB 3.41Å; C448-C502 CovalentContact SG-SG 2.03Å; C448-C502 PolarHBondContact SG-SG 3.27Å; C502-T511 CarbonylContact O-C 3.59Å; C502-T511 WeakPolarHBondContact O-CA 3.39Å; C502-T511 WeakPolarHBondContact O-CG2 3.4Å; C502-T512 PolarHBondContact N-O 2.88Å; C502-T512 PolarHBondContact O-N 3.28Å
503H91.3Very high88.9Confident70 Ų7050.7 Ų50.732%0.32429%0.288SS..EExtended strand (participates in β ladder)trans-134.2149.9172.468.480.7000110.7V446 H447 L510 T511V446-H503 CarbonylContact C-O 3.53Å; V446-H503 VanDerWaalsContact CA-O 3.23Å; V446-H503 WeakPolarHBondContact CA-O 3.38Å; V446-H503 VanDerWaalsContact CG1-O 3.29Å; V446-H503 WeakPolarHBondContact CG1-O 3.44Å; H447-H503 PolarHBondContact N-O 2.86Å; H447-H503 PolarHBondContact O-N 2.81Å; H447-H503 VanDerWaalsContact O-N 3.08Å; H503-L510 VanDerWaalsContact CA-O 3.3Å; H503-L510 WeakPolarHBondContact CA-O 3.3Å; H503-T511 HydrophobicContact CB-CG2 4.4Å; H503-T511 WeakPolarHBondContact CB-OG1 3.31Å
504D89Confident89.2Confident2 Ų250.9 Ų50.91%0.01129%0.289CS..  trans-74.6-172.917765.622.2000113.1N401 P405 N443 L445 G506 S509 L510N401-D504 PolarHBondContact ND2-OD2 3.07Å; P405-D504 HydrophobicContact CG-CB 4.15Å; N443-D504 WeakPolarHBondContact O-CB 3.49Å; L445-D504 CarbonylContact O-C 3.59Å; D504-G506 WeakPolarHBondContact OD1-CA 3.21Å; D504-G506 PolarHBondContact OD1-N 2.72Å; D504-S509 WeakPolarHBondContact OD1-CA 3.34Å; D504-S509 WeakPolarHBondContact OD1-CB 2.92Å; D504-S509 PolarHBondContact OD1-OG 3.03Å; D504-L510 PolarHBondContact N-O 2.98Å; D504-L510 VanDerWaalsContact N-O 3.1Å; D504-L510 PolarHBondContact OD1-N 3.29Å; D504-L510 WeakPolarHBondContact OD2-CA 3.42Å; D504-L510 WeakPolarHBondContact OD2-CB 3.45Å; D504-L510 PolarHBondContact OD2-N 2.88Å
505G84.4Confident89.5Confident33 Ų3348.6 Ų48.634%0.3429%0.288SS..SBendtrans-103.221.2167.800000113.5T442 L445T442-G505 CarbonylContact O-C 3.52Å; T442-G505 VanDerWaalsContact O-CA 3.24Å; T442-G505 WeakPolarHBondContact O-CA 3.39Å; T442-G505 PolarHBondContact O-N 2.91Å; L445-G505 PolarHBondContact O-N 2.8Å; L445-G505 VanDerWaalsContact O-N 3.09Å
506G82.1Confident89.6Confident9 Ų948.2 Ų48.29%0.09328%0.283CS..  trans-77.2167.5-165.300000116.8N401 D504 P508 S509N401-G506 WeakPolarHBondContact OD1-CA 3.5Å; D504-G506 WeakPolarHBondContact OD1-CA 3.21Å; D504-G506 PolarHBondContact OD1-N 2.72Å; G506-P508 VanDerWaalsContact C-C 3.41Å; G506-P508 CarbonylContact C-O 3.6Å; G506-P508 CarbonylContact O-C 3.48Å; G506-S509 PolarHBondContact O-N 3.18Å
507I80Confident89.6Confident160 Ų16054.1 Ų54.182%0.82131%0.305SS*.SBendtrans-134.795.9170.8-53.1-179.2000109.1
508P84.2Confident89.6Confident95 Ų9548.7 Ų48.762%0.61728%0.28SS*.SBendcis-70.6156.5-0.733-36.9000112.6N401 G506N401-P508 PolarHBondContact ND2-O 3.34Å; G506-P508 VanDerWaalsContact C-C 3.41Å; G506-P508 CarbonylContact C-O 3.6Å; G506-P508 CarbonylContact O-C 3.48Å
509S88.7Confident89.3Confident61 Ų6152.3 Ų52.343%0.42730%0.295SS..  trans-87.2135.4177.7175.70000112.1D504 G506D504-S509 WeakPolarHBondContact OD1-CA 3.34Å; D504-S509 WeakPolarHBondContact OD1-CB 2.92Å; D504-S509 PolarHBondContact OD1-OG 3.03Å; G506-S509 PolarHBondContact O-N 3.18Å
510L89.7Confident89.2Confident30 Ų3051.6 Ų51.616%0.15729%0.291CS..  trans-107.4158.4-178.7-52.2178.1000110.6H403 F404 H503 D504H403-L510 VanDerWaalsContact O-CD1 3.27Å; H403-L510 WeakPolarHBondContact O-CD1 3.19Å; F404-L510 HydrophobicContact CD1-CB 3.82Å; F404-L510 HydrophobicContact CD2-CD1 3.95Å; F404-L510 HydrophobicContact CE1-CB 4.07Å; F404-L510 HydrophobicContact CE1-CD2 4.04Å; F404-L510 HydrophobicContact CE1-CG 4.48Å; F404-L510 HydrophobicContact CE2-CD1 3.98Å; F404-L510 HydrophobicContact CE2-CD2 4.32Å; F404-L510 HydrophobicContact CG-CB 4.08Å; F404-L510 HydrophobicContact CG-CD1 4.27Å; F404-L510 HydrophobicContact CZ-CD1 4.34Å; F404-L510 HydrophobicContact CZ-CD2 3.88Å; F404-L510 HydrophobicContact CZ-CG 4.49Å; H503-L510 VanDerWaalsContact CA-O 3.3Å; H503-L510 WeakPolarHBondContact CA-O 3.3Å; D504-L510 PolarHBondContact N-O 2.98Å; D504-L510 VanDerWaalsContact N-O 3.1Å; D504-L510 PolarHBondContact OD1-N 3.29Å; D504-L510 WeakPolarHBondContact OD2-CA 3.42Å; D504-L510 WeakPolarHBondContact OD2-CB 3.45Å; D504-L510 PolarHBondContact OD2-N 2.88Å
511T91.3Very high88.9Confident71 Ų7154.5 Ų54.544%0.43631%0.306SS..EExtended strand (participates in β ladder)trans-152.4139.3-165.5-65.20000112.5L501 C502 H503L501-T511 HydrophobicContact CD1-CG2 3.5Å; L501-T511 VanDerWaalsContact CD1-CG2 3.5Å; C502-T511 CarbonylContact O-C 3.59Å; C502-T511 WeakPolarHBondContact O-CA 3.39Å; C502-T511 WeakPolarHBondContact O-CG2 3.4Å; H503-T511 HydrophobicContact CB-CG2 4.4Å; H503-T511 WeakPolarHBondContact CB-OG1 3.31Å
512T91.8Very high88.7Confident36 Ų3653.6 Ų53.622%0.22130%0.301CS..EExtended strand (participates in β ladder)trans-131.1142.4-178.5-62.30000111.3P405 V407 C502P405-T512 WeakPolarHBondContact O-CB 3.5Å; P405-T512 WeakPolarHBondContact O-CG2 3.42Å; P405-T512 PolarHBondContact O-OG1 2.91Å; V407-T512 HydrophobicContact CB-CG2 4.47Å; V407-T512 HydrophobicContact CG2-CG2 3.87Å; C502-T512 PolarHBondContact N-O 2.88Å; C502-T512 PolarHBondContact O-N 3.28Å
513T92.1Very high88.5Confident92 Ų9256.4 Ų56.456%0.56432%0.315SS*.EExtended strand (participates in β ladder)trans-124133.4173.451.40000111.3I500 L501I500-T513 CarbonylContact O-C 3.51Å; I500-T513 VanDerWaalsContact O-CA 3.3Å; I500-T513 WeakPolarHBondContact O-CA 3.46Å; L501-T513 HydrophobicContact CB-CG2 4.34Å; L501-T513 HydrophobicContact CD1-CG2 3.72Å
514L91.2Very high88.3Confident53 Ų5354.1 Ų54.128%0.27731%0.306SS..EExtended strand (participates in β ladder)trans-129.3114.5175.9178.761.9000109.9V407 V409 T499 I500V407-L514 HydrophobicContact CB-CB 4.33Å; V407-L514 HydrophobicContact CB-CD2 4.23Å; V407-L514 HydrophobicContact CG1-CB 4.22Å; V407-L514 HydrophobicContact CG1-CD2 3.89Å; V409-L514 HydrophobicContact CG2-CD2 3.83Å; T499-L514 CarbonylContact C-O 3.48Å; T499-L514 WeakPolarHBondContact CA-O 3.24Å; I500-L514 PolarHBondContact N-O 3.24Å; I500-L514 PolarHBondContact O-N 3.03Å
515S91.9Very high88.2Confident89 Ų8956 Ų5662%0.62232%0.316SS*.EExtended strand (participates in β ladder)trans-82.2135.5170-60.40000110.1F498 T499F498-S515 WeakPolarHBondContact O-CA 3.17Å; T499-S515 PolarHBondContact OG1-OG 3.42Å
516Q90.4Very high88.3Confident42 Ų4255.9 Ų55.920%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-140.4148.9-174.2-177.960.652.700109.6V409 L418 F498V409-Q516 HydrophobicContact CG2-CG 4.26Å; L418-Q516 HydrophobicContact CD1-CG 3.57Å; L418-Q516 HydrophobicContact CG-CG 4.25Å; F498-Q516 HydrophobicContact CD1-CB 4.41Å; F498-Q516 VanDerWaalsContact CD1-O 3.3Å; F498-Q516 WeakPolarHBondContact CD1-O 3.24Å; F498-Q516 HydrophobicContact CE1-CB 3.81Å; F498-Q516 HydrophobicContact CE1-CG 3.7Å; F498-Q516 HydrophobicContact CE2-CB 4.07Å; F498-Q516 HydrophobicContact CE2-CG 4.38Å; F498-Q516 HydrophobicContact CZ-CB 3.62Å; F498-Q516 HydrophobicContact CZ-CG 3.51Å; F498-Q516 PolarHBondContact N-O 2.7Å; F498-Q516 PolarHBondContact O-N 3.1Å; F498-Q516 VanDerWaalsContact O-O 3.05Å
517R90.9Very high88.5Confident127 Ų12759.2 Ų59.248%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-113147.6170.966.6-177.3-174.3169.55.4110.5D417 V495 I496D417-R517 IonicContact OD1-CZ 3.63Å; D417-R517 IonicContact OD1-NE 3.66Å; D417-R517 PolarHBondContact OD1-NE 2.72Å; D417-R517 IonicContact OD1-NH2 2.68Å; D417-R517 PolarHBondContact OD1-NH2 2.6Å; D417-R517 IonicContact OD2-NH2 2.76Å; D417-R517 PolarHBondContact OD2-NH2 3.35Å; V495-R517 HydrophobicContact CG1-CB 3.87Å; I496-R517 CarbonylContact O-C 3.41Å; I496-R517 WeakPolarHBondContact O-CA 3.4Å
518I89.9Confident89.1Confident0 Ų051.7 Ų51.70%028%0.284CS..EExtended strand (participates in β ladder)trans-110122.3160.9-71.5146.2000106.6L418 I420 V430 L459 V495 I496 F498L418-I518 HydrophobicContact CB-CB 4.31Å; L418-I518 HydrophobicContact CB-CG1 3.58Å; L418-I518 HydrophobicContact CD1-CD1 4.4Å; L418-I518 HydrophobicContact CD1-CG1 3.77Å; L418-I518 HydrophobicContact CG-CG1 4.36Å; L418-I518 CarbonylContact O-C 3.57Å; L418-I518 WeakPolarHBondContact O-CA 3.37Å; I420-I518 HydrophobicContact CB-CG2 4.06Å; I420-I518 HydrophobicContact CG2-CG2 3.61Å; V430-I518 HydrophobicContact CG1-CD1 3.63Å; V430-I518 HydrophobicContact CG1-CG1 3.77Å; V430-I518 HydrophobicContact CG1-CG2 4.03Å; L459-I518 HydrophobicContact CD1-CD1 3.58Å; L459-I518 HydrophobicContact CD2-CD1 3.82Å; L459-I518 HydrophobicContact CG-CD1 4.36Å; V495-I518 WeakPolarHBondContact CA-O 3.31Å; I496-I518 PolarHBondContact N-O 2.9Å; I496-I518 PolarHBondContact O-N 2.97Å; F498-I518 HydrophobicContact CD1-CD1 4.19Å; F498-I518 HydrophobicContact CE1-CD1 3.52Å; F498-I518 HydrophobicContact CE1-CG1 3.89Å; F498-I518 HydrophobicContact CZ-CD1 4.15Å
519K87.9Confident89.2Confident78 Ų7851.2 Ų51.234%0.33928%0.275SS..EExtended strand (participates in β ladder)trans-75.8132.8162.6-160.9-143.3-178.8-163.80107.4L418 E419 I420 E564L418-K519 PolarHBondContact O-N 3.37Å; E419-K519 WeakPolarHBondContact CA-O 3.37Å; I420-K519 PolarHBondContact N-O 3.3Å; I420-K519 VanDerWaalsContact N-O 3.12Å; K519-E564 VanDerWaalsContact CE-OE2 3.31Å; K519-E564 WeakPolarHBondContact CE-OE2 3.45Å; K519-E564 IonicContact NZ-OE1 3.03Å; K519-E564 PolarHBondContact NZ-OE1 2.96Å; K519-E564 IonicContact NZ-OE2 2.76Å; K519-E564 PolarHBondContact NZ-OE2 3.36Å
520I88.8Confident89Confident1 Ų148.7 Ų48.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-84.1127.6169.1-65.5153.4000107.1I420 E422 I488 R490 N493 E494 I496I420-I520 HydrophobicContact CG2-CG1 3.83Å; I420-I520 CarbonylContact O-C 3.57Å; I420-I520 WeakPolarHBondContact O-CA 3.4Å; E422-I520 HydrophobicContact CB-CG2 3.84Å; I488-I520 HydrophobicContact CG2-CB 4.5Å; I488-I520 HydrophobicContact CG2-CD1 3.32Å; I488-I520 HydrophobicContact CG2-CG1 3.64Å; I488-I520 HydrophobicContact CG2-CG2 4.03Å; R490-I520 HydrophobicContact CB-CB 4.36Å; R490-I520 HydrophobicContact CB-CG2 3.67Å; R490-I520 HydrophobicContact CG-CB 4.07Å; R490-I520 HydrophobicContact CG-CG2 3.83Å; N493-I520 WeakPolarHBondContact O-CD1 3Å; E494-I520 PolarHBondContact O-N 3.25Å; I496-I520 HydrophobicContact CD1-CD1 3.94Å; I496-I520 HydrophobicContact CD1-CG1 4.49Å; I496-I520 HydrophobicContact CG1-CD1 3.91Å
521I86.3Confident88.7Confident61 Ų6154 Ų5431%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-86.1118.6170.7-66.6-177.6000106.5E419 I420 I421 E422E419-I521 HydrophobicContact CB-CD1 3.72Å; E419-I521 HydrophobicContact CB-CG1 4.14Å; E419-I521 HydrophobicContact CG-CD1 3.93Å; E419-I521 HydrophobicContact CG-CG1 4.26Å; I420-I521 PolarHBondContact O-N 3.16Å; I421-I521 WeakPolarHBondContact CA-O 3.41Å; I421-I521 HydrophobicContact CG1-CB 4.26Å; I421-I521 HydrophobicContact CG1-CG2 4.24Å; E422-I521 PolarHBondContact N-O 3.35Å
522D88.5Confident88.4Confident16 Ų1655.4 Ų55.49%0.08628%0.283CS..PPolyproline II helixtrans-52127.1171.7-166.578.5000113.7E422 R490 D563 E564 N567E422-D522 VanDerWaalsContact OE1-CA 3.24Å; E422-D522 WeakPolarHBondContact OE1-CA 3.48Å; R490-D522 VanDerWaalsContact CD-OD1 3.23Å; R490-D522 WeakPolarHBondContact CD-OD1 3.15Å; R490-D522 IonicContact CZ-OD1 3.95Å; R490-D522 IonicContact NE-OD1 2.96Å; R490-D522 PolarHBondContact NE-OD1 2.69Å; D522-D563 WeakPolarHBondContact OD1-CA 3.23Å; D522-D563 WeakPolarHBondContact OD1-CB 3.01Å; D522-E564 HydrophobicContact CB-CB 3.6Å; D522-E564 VanDerWaalsContact CG-CB 3.44Å; D522-E564 WeakPolarHBondContact OD1-CB 3.37Å; D522-E564 PolarHBondContact OD1-N 3.24Å; D522-E564 PolarHBondContact OD2-N 3Å; D522-N567 WeakPolarHBondContact OD2-CB 3.23Å; D522-N567 PolarHBondContact OD2-ND2 3.24Å
523I87.4Confident88Confident58 Ų5858 Ų5830%0.29730%0.296SS..PPolyproline II helixtrans-90.7154156.9-70.9-177.1000107.6I421 E422 E423 D525I421-I523 HydrophobicContact CG2-CD1 3.61Å; I421-I523 HydrophobicContact CG2-CG1 3.37Å; E422-I523 HydrophobicContact CG-CB 3.98Å; E422-I523 HydrophobicContact CG-CD1 4.3Å; E422-I523 HydrophobicContact CG-CG1 4.02Å; E422-I523 VanDerWaalsContact O-CD1 3.24Å; E422-I523 WeakPolarHBondContact O-CD1 3.48Å; E422-I523 PolarHBondContact OE1-N 2.93Å; E423-I523 HydrophobicContact CB-CD1 4.15Å; I523-D525 HydrophobicContact CB-CB 4.14Å; I523-D525 HydrophobicContact CG2-CB 4.02Å; I523-D525 PolarHBondContact O-N 2.93Å
524N88.2Confident88Confident22 Ų2256.6 Ų56.612%0.11829%0.287CS..SBendtrans-72.478.3163.9-171-24.5000109.5H526 D563 N567 D617 R623N524-H526 PolarHBondContact OD1-O 2.7Å; N524-D563 VanDerWaalsContact CA-OD2 3.26Å; N524-D563 WeakPolarHBondContact CA-OD2 3.3Å; N524-N567 HydrophobicContact CB-CB 4.11Å; N524-N567 PolarHBondContact N-ND2 3.5Å; N524-D617 PolarHBondContact ND2-OD1 2.75Å; N524-D617 PolarHBondContact ND2-OD2 3.38Å; N524-R623 WeakPolarHBondContact O-CD 3.11Å; N524-R623 PolarHBondContact O-NH1 3.44Å; N524-R623 WeakPolarHBondContact OD1-CD 3.26Å; N524-R623 WeakPolarHBondContact OD1-CG 3.34Å
525D87.4Confident88Confident42 Ų4254.8 Ų54.823%0.22528%0.276CS..  trans-107.4-30.8-161.7161.8-81.2000112.1I523 D563 R623I523-D525 HydrophobicContact CB-CB 4.14Å; I523-D525 HydrophobicContact CG2-CB 4.02Å; I523-D525 PolarHBondContact O-N 2.93Å; D525-D563 PolarHBondContact N-OD2 2.73Å; D525-R623 VanDerWaalsContact CA-NH1 3.29Å; D525-R623 VanDerWaalsContact O-CZ 3.22Å; D525-R623 PolarHBondContact O-NH1 3.3Å; D525-R623 PolarHBondContact O-NH2 3.4Å
526H85.9Confident88Confident30 Ų3056.6 Ų56.614%0.13928%0.279CS..SBendtrans-92154.9167.9-67.172.5000111.8E491 N524 K562 D563 R623E491-H526 IonicContact OE2-CE1 3.95Å; E491-H526 IonicContact OE2-ND1 3.38Å; N524-H526 PolarHBondContact OD1-O 2.7Å; H526-K562 HydrophobicContact CB-CB 4.32Å; H526-K562 WeakPolarHBondContact NE2-CE 3.3Å; H526-K562 PolarHBondContact NE2-NZ 2.84Å; H526-D563 VanDerWaalsContact CB-OD1 3.28Å; H526-D563 WeakPolarHBondContact CB-OD1 2.92Å; H526-D563 IonicContact CG-OD1 3.51Å; H526-D563 PolarHBondContact N-OD1 2.73Å; H526-D563 PolarHBondContact N-OD2 2.78Å; H526-D563 IonicContact ND1-OD1 2.94Å; H526-D563 PolarHBondContact ND1-OD1 3.38Å; H526-D563 VanDerWaalsContact ND1-OD1 3.16Å; H526-R623 VanDerWaalsContact O-CD 3.27Å; H526-R623 WeakPolarHBondContact O-CD 3.21Å; H526-R623 PolarHBondContact O-NE 2.95Å
527D87.1Confident88.1Confident80 Ų8055.6 Ų55.643%0.42828%0.276SS..  trans-90.8143.6163.1-66.6-74.1000108.8I529 R623D527-I529 WeakPolarHBondContact O-CG1 3.35Å; D527-I529 PolarHBondContact O-N 2.88Å; D527-R623 VanDerWaalsContact CG-NE 3.34Å; D527-R623 VanDerWaalsContact CG-NH2 3.25Å; D527-R623 IonicContact OD1-CZ 3.45Å; D527-R623 IonicContact OD1-NE 3.86Å; D527-R623 PolarHBondContact OD1-NE 2.99Å; D527-R623 IonicContact OD1-NH2 2.74Å; D527-R623 IonicContact OD2-CZ 2.74Å; D527-R623 IonicContact OD2-NE 2.7Å; D527-R623 IonicContact OD2-NH2 3.9Å; D527-R623 PolarHBondContact OD2-NH2 2.97Å
528P90.8Very high88.1Confident2 Ų255.2 Ų55.21%0.01328%0.28CS..  trans-47.7114.1174-29.230.5000113C530 D561 L570 V625P528-C530 PolarHBondContact O-N 2.89Å; P528-D561 VanDerWaalsContact CA-OD2 3.3Å; P528-D561 WeakPolarHBondContact CA-OD2 3.28Å; P528-D561 WeakPolarHBondContact CD-OD2 3.34Å; P528-D561 VanDerWaalsContact CG-OD2 3.23Å; P528-D561 WeakPolarHBondContact CG-OD2 3.4Å; P528-L570 HydrophobicContact CB-CD2 3.7Å; P528-L570 HydrophobicContact CG-CD2 3.8Å; P528-V625 HydrophobicContact CB-CG1 4.01Å; P528-V625 VanDerWaalsContact O-CG1 3.26Å; P528-V625 WeakPolarHBondContact O-CG1 3.29Å
529I87.1Confident88.2Confident84 Ų8455.7 Ų55.743%0.43128%0.282SS..EExtended strand (participates in β ladder)trans-91.7106.5-174-50.9-175.7000109.9D527 A559 T560D527-I529 WeakPolarHBondContact O-CG1 3.35Å; D527-I529 PolarHBondContact O-N 2.88Å; I529-A559 CarbonylContact O-C 3.5Å; I529-A559 VanDerWaalsContact O-CA 3.27Å; I529-A559 WeakPolarHBondContact O-CA 3.06Å; I529-T560 WeakPolarHBondContact CA-O 3.49Å; I529-T560 WeakPolarHBondContact CB-O 3.47Å; I529-T560 PolarHBondContact N-O 2.69Å; I529-T560 PolarHBondContact O-N 3.16Å
530C85.4Confident88.2Confident9 Ų953.1 Ų53.16%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-78150.5169.3-63.40000111.5P528 Q532 A559 V625 I627P528-C530 PolarHBondContact O-N 2.89Å; C530-Q532 WeakPolarHBondContact CB-O 3.15Å; C530-Q532 PolarHBondContact O-N 2.76Å; C530-A559 HydrophobicContact CB-CB 4.5Å; C530-V625 VanDerWaalsContact SG-CG1 3.56Å; C530-I627 HydrophobicContact CB-CG1 4.28Å; C530-I627 WeakPolarHBondContact SG-CG1 3.12Å
531E81.6Confident88.3Confident140 Ų14053.1 Ų53.165%0.65427%0.274SS*.SBendtrans-59.5-32.8171.3-64.9-175.7148.500112.2H558E531-H558 HydrophobicContact CG-CB 4.06Å; E531-H558 PolarHBondContact N-O 3.29Å
532Q85.2Confident88.3Confident101 Ų10152.3 Ų52.347%0.47227%0.27SS..  trans-145.1138.8175.6-51.5179.68.900109.8C530 V534 Y535C530-Q532 WeakPolarHBondContact CB-O 3.15Å; C530-Q532 PolarHBondContact O-N 2.76Å; Q532-V534 VanDerWaalsContact C-N 3.32Å; Q532-Y535 HydrophobicContact CB-CD1 4.08Å; Q532-Y535 HydrophobicContact CB-CD2 4.34Å; Q532-Y535 HydrophobicContact CB-CE1 3.75Å; Q532-Y535 HydrophobicContact CB-CE2 4.01Å; Q532-Y535 HydrophobicContact CB-CG 4.39Å; Q532-Y535 HydrophobicContact CG-CD1 4.34Å; Q532-Y535 HydrophobicContact CG-CE1 3.87Å; Q532-Y535 PolarHBondContact N-OH 3.18Å; Q532-Y535 WeakPolarHBondContact O-CE2 3.19Å
533N84.3Confident88.1Confident92 Ų9254.2 Ų54.249%0.49228%0.284SS..SBendtrans-84-12.9173.3-63.714000112.3I627 F628N533-I627 WeakPolarHBondContact O-CA 3.44Å; N533-F628 PolarHBondContact O-N 2.53Å
534V91.3Very high87.9Confident62 Ų6252.6 Ų52.638%0.37628%0.277SS..EExtended strand (participates in β ladder)trans-137.2114178.9-177.20000108.5Q532 F628 H630Q532-V534 VanDerWaalsContact C-N 3.32Å; V534-F628 CarbonylContact C-O 3.18Å; V534-F628 VanDerWaalsContact CA-O 3.3Å; V534-F628 WeakPolarHBondContact CA-O 3.26Å; V534-F628 HydrophobicContact CG2-CB 4.44Å; V534-F628 HydrophobicContact CG2-CD2 4.44Å; V534-H630 VanDerWaalsContact CG1-CD2 3.41Å; V534-H630 WeakPolarHBondContact CG1-CD2 3.34Å
535Y91.9Very high87.5Confident15 Ų1555.3 Ų55.36%0.05930%0.295CS..EExtended strand (participates in β ladder)trans-105.8130.7173.6-66.6-88.1000109.6Q532 I555 I557 I627 F628 V629 H630Q532-Y535 HydrophobicContact CB-CD1 4.08Å; Q532-Y535 HydrophobicContact CB-CD2 4.34Å; Q532-Y535 HydrophobicContact CB-CE1 3.75Å; Q532-Y535 HydrophobicContact CB-CE2 4.01Å; Q532-Y535 HydrophobicContact CB-CG 4.39Å; Q532-Y535 HydrophobicContact CG-CD1 4.34Å; Q532-Y535 HydrophobicContact CG-CE1 3.87Å; Q532-Y535 PolarHBondContact N-OH 3.18Å; Q532-Y535 WeakPolarHBondContact O-CE2 3.19Å; Y535-I555 HydrophobicContact CD1-CD1 3.37Å; Y535-I555 HydrophobicContact CD2-CD1 4.29Å; Y535-I555 HydrophobicContact CE1-CD1 3.91Å; Y535-I555 HydrophobicContact CG-CD1 3.57Å; Y535-I557 HydrophobicContact CD2-CD1 3.83Å; Y535-I557 HydrophobicContact CE2-CD1 3.76Å; Y535-I557 HydrophobicContact CE2-CG2 4.35Å; Y535-I627 HydrophobicContact CD2-CG2 3.46Å; Y535-I627 VanDerWaalsContact CD2-CG2 3.46Å; Y535-I627 HydrophobicContact CE2-CG2 3.65Å; Y535-F628 PolarHBondContact N-O 3.28Å; Y535-V629 CarbonylContact O-C 3.59Å; Y535-V629 WeakPolarHBondContact O-CA 3.45Å; Y535-H630 PolarHBondContact O-N 3.3Å
536N92.8Very high86.9Confident126 Ų12661.8 Ų61.867%0.67432%0.324SS*.EExtended strand (participates in β ladder)trans-103.7112.8171.3-63-80.2000107.8
537V91.6Very high86.4Confident22 Ų2260.7 Ų60.713%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-116.6119.4-176.3-173.20000109.2I554 I555 V629 H630 V631 K632V537-I554 HydrophobicContact CB-CG2 4.35Å; V537-I554 HydrophobicContact CG1-CG2 3.84Å; V537-I555 HydrophobicContact CG2-CB 4.26Å; V537-I555 HydrophobicContact CG2-CD1 3.95Å; V537-I555 HydrophobicContact CG2-CG2 4.43Å; V537-V629 HydrophobicContact CB-CG1 4.49Å; V537-V629 HydrophobicContact CG2-CG1 3.77Å; V537-H630 PolarHBondContact N-O 2.75Å; V537-V631 WeakPolarHBondContact O-CA 3.4Å; V537-K632 PolarHBondContact O-N 3.35Å
538E91.6Very high85Confident119 Ų11961.5 Ų61.556%0.55633%0.331SS*.EExtended strand (participates in β ladder)trans-93.1127.5169.6-58.7-160.5135.100109.3K632 L634E538-K632 WeakPolarHBondContact CA-O 3.45Å; E538-K632 HydrophobicContact CG-CD 4.31Å; E538-K632 WeakPolarHBondContact OE1-CD 3.19Å; E538-K632 WeakPolarHBondContact OE1-CE 3.26Å; E538-K632 IonicContact OE1-NZ 2.67Å; E538-K632 PolarHBondContact OE1-NZ 3.42Å; E538-L634 HydrophobicContact CB-CD1 3.82Å; E538-L634 HydrophobicContact CB-CD2 4.05Å; E538-L634 HydrophobicContact CB-CG 3.88Å; E538-L634 HydrophobicContact CG-CD2 4.48Å
539I90.5Very high83.6Confident10 Ų1069.4 Ų69.45%0.05137%0.365CS..EExtended strand (participates in β ladder)trans-143.9129.1-171.7-162.9158.7000111.6F552 I554 L601 V631 K632 V633 L634I539-F552 HydrophobicContact CD1-CD1 4.07Å; I539-F552 HydrophobicContact CD1-CE1 3.96Å; I539-F552 HydrophobicContact CG1-CE1 4.31Å; I539-I554 HydrophobicContact CD1-CB 3.97Å; I539-I554 HydrophobicContact CD1-CG1 3.8Å; I539-I554 HydrophobicContact CD1-CG2 3.82Å; I539-L601 HydrophobicContact CG2-CD2 4.1Å; I539-V631 HydrophobicContact CG2-CG1 3.45Å; I539-V631 VanDerWaalsContact CG2-CG1 3.45Å; I539-K632 PolarHBondContact N-O 3.47Å; I539-V633 CarbonylContact O-C 3.53Å; I539-V633 WeakPolarHBondContact O-CA 3.43Å; I539-L634 PolarHBondContact O-N 3.24Å
540S89.1Confident82.4Confident24 Ų2470.1 Ų70.117%0.16838%0.377CS..EExtended strand (participates in β ladder)trans-59.4157.2173.6-120.40000111.3N544 R547 L634S540-N544 WeakPolarHBondContact CB-ND2 3.48Å; S540-N544 PolarHBondContact OG-ND2 3.25Å; S540-R547 WeakPolarHBondContact O-CD 3.25Å; S540-R547 PolarHBondContact O-NE 2.77Å; S540-L634 WeakPolarHBondContact CA-O 3.42Å
541E90Very high81.6Confident1 Ų174.3 Ų74.31%0.00540%0.399CS..  trans-75.6172.9164.867.9-152.4114.800113.7S543 N544 R547 L601 R603 V633 L634 D635 Y636E541-S543 VanDerWaalsContact C-N 3.27Å; E541-S543 PolarHBondContact O-N 3.44Å; E541-N544 WeakPolarHBondContact O-CB 3.19Å; E541-N544 PolarHBondContact O-N 2.91Å; E541-R547 WeakPolarHBondContact O-CD 3.31Å; E541-L601 WeakPolarHBondContact CB-O 3.25Å; E541-R603 WeakPolarHBondContact OE2-CB 3.16Å; E541-R603 PolarHBondContact OE2-N 3.26Å; E541-V633 HydrophobicContact CB-CG1 3.97Å; E541-L634 PolarHBondContact N-O 3.39Å; E541-D635 WeakPolarHBondContact OE1-CA 3.24Å; E541-Y636 PolarHBondContact OE1-N 3.44Å
542D86.2Confident81.7Confident44 Ų4471.1 Ų71.124%0.23538%0.383CS..THydrogen-bonded Turntrans-69.9-20.9-169.6-73.2-19.3000114.6N544 R547 G599 N600 L601D542-N544 PolarHBondContact O-N 3.06Å; D542-R547 IonicContact OD1-CZ 2.81Å; D542-R547 IonicContact OD1-NH1 3.18Å; D542-R547 PolarHBondContact OD1-NH1 3.41Å; D542-G599 WeakPolarHBondContact OD2-CA 3.48Å; D542-N600 WeakPolarHBondContact OD2-CA 3.47Å; D542-N600 PolarHBondContact OD2-N 2.88Å; D542-L601 PolarHBondContact N-O 2.82Å; D542-L601 VanDerWaalsContact N-O 3.07Å; D542-L601 PolarHBondContact OD2-N 3.47Å
543S84.7Confident81.8Confident55 Ų5572.6 Ų72.639%0.38539%0.39SS..THydrogen-bonded Turntrans-68.7-14.4176.5-63.60000113.4E541 P545 Y636 D638E541-S543 VanDerWaalsContact C-N 3.27Å; E541-S543 PolarHBondContact O-N 3.44Å; S543-P545 WeakPolarHBondContact O-CD 3.4Å; S543-Y636 WeakPolarHBondContact O-CE1 3.48Å; S543-D638 WeakPolarHBondContact CB-OD2 2.9Å; S543-D638 PolarHBondContact OG-OD2 2.7Å
544N83.9Confident82.1Confident25 Ų2569 Ų6913%0.13437%0.371CS..SBendtrans-69119.9171.9-176.4-22.2000111S540 E541 D542 E546 R547 Y636S540-N544 WeakPolarHBondContact CB-ND2 3.48Å; S540-N544 PolarHBondContact OG-ND2 3.25Å; E541-N544 WeakPolarHBondContact O-CB 3.19Å; E541-N544 PolarHBondContact O-N 2.91Å; D542-N544 PolarHBondContact O-N 3.06Å; N544-E546 PolarHBondContact O-N 3.22Å; N544-E546 VanDerWaalsContact O-N 3.13Å; N544-E546 PolarHBondContact OD1-N 3.31Å; N544-R547 HydrophobicContact CB-CB 4.22Å; N544-R547 WeakPolarHBondContact O-CA 3.28Å; N544-R547 VanDerWaalsContact O-CB 3.26Å; N544-R547 WeakPolarHBondContact O-CB 3.27Å; N544-R547 PolarHBondContact O-N 2.93Å; N544-Y636 HydrophobicContact CB-CD2 3.52Å; N544-Y636 HydrophobicContact CB-CE2 3.95Å; N544-Y636 HydrophobicContact CB-CG 3.86Å
545P78.7Confident82.1Confident79 Ų7967.6 Ų67.651%0.51336%0.361SS..G310 helixtrans-58.2-27.9-179.6-26.936.1000115.3S543 R547 S548 Y636S543-P545 WeakPolarHBondContact O-CD 3.4Å; P545-R547 PolarHBondContact O-N 2.93Å; P545-S548 VanDerWaalsContact O-CB 3.29Å; P545-S548 WeakPolarHBondContact O-CB 3.11Å; P545-S548 PolarHBondContact O-N 3.22Å; P545-S548 PolarHBondContact O-OG 2.74Å; P545-Y636 WeakPolarHBondContact CD-OH 3.32Å
546E74.2Confident82.1Confident178 Ų17868.7 Ų68.783%0.83237%0.369SS*.G310 helixtrans-69.2-20.6175.7-59.5-167.3150.400112.1N544N544-E546 PolarHBondContact O-N 3.22Å; N544-E546 VanDerWaalsContact O-N 3.13Å; N544-E546 PolarHBondContact OD1-N 3.31Å
547R76.8Confident82Confident6 Ų662.8 Ų62.82%0.02334%0.337CS..G310 helixtrans-92.9-4-179.8-147-174.9-171.4-71.1-15114.3S540 E541 D542 N544 P545 K549 F552 T597S540-R547 WeakPolarHBondContact O-CD 3.25Å; S540-R547 PolarHBondContact O-NE 2.77Å; E541-R547 WeakPolarHBondContact O-CD 3.31Å; D542-R547 IonicContact OD1-CZ 2.81Å; D542-R547 IonicContact OD1-NH1 3.18Å; D542-R547 PolarHBondContact OD1-NH1 3.41Å; N544-R547 HydrophobicContact CB-CB 4.22Å; N544-R547 WeakPolarHBondContact O-CA 3.28Å; N544-R547 VanDerWaalsContact O-CB 3.26Å; N544-R547 WeakPolarHBondContact O-CB 3.27Å; N544-R547 PolarHBondContact O-N 2.93Å; P545-R547 PolarHBondContact O-N 2.93Å; R547-K549 PolarHBondContact O-N 3.41Å; R547-F552 HydrophobicContact CB-CD2 4.23Å; R547-F552 HydrophobicContact CB-CE2 4.38Å; R547-F552 HydrophobicContact CG-CB 4.2Å; R547-F552 HydrophobicContact CG-CD1 4.2Å; R547-F552 HydrophobicContact CG-CD2 3.44Å; R547-F552 VanDerWaalsContact CG-CD2 3.44Å; R547-F552 HydrophobicContact CG-CE1 4.48Å; R547-F552 HydrophobicContact CG-CE2 3.76Å; R547-F552 HydrophobicContact CG-CG 3.68Å; R547-F552 HydrophobicContact CG-CZ 4.27Å; R547-T597 PolarHBondContact NH1-OG1 2.91Å; R547-T597 PolarHBondContact NH2-OG1 2.86Å; R547-T597 VanDerWaalsContact NH2-OG1 3.09Å
548S58.2Low81.9Confident97 Ų9766.9 Ų66.968%0.67836%0.355SS*.  trans-6627.3-163.161.10000118.4P545P545-S548 VanDerWaalsContact O-CB 3.29Å; P545-S548 WeakPolarHBondContact O-CB 3.11Å; P545-S548 PolarHBondContact O-N 3.22Å; P545-S548 PolarHBondContact O-OG 2.74Å
549K61.2Low81.8Confident168 Ų16862.3 Ų62.373%0.7334%0.337SS*.SBendtrans-115.7129.5169.2-63.8176.9-174.7169.90110R547 F552R547-K549 PolarHBondContact O-N 3.41Å; K549-F552 PolarHBondContact O-N 3.06Å
550S60.4Low81.8Confident99 Ų9966.4 Ų66.469%0.69236%0.363SS*.SBendtrans-51.9140.2161.253.50000110.4
551N70.4Confident81.8Confident97 Ų9766.2 Ų66.252%0.51936%0.36SS..SBendtrans68.442-172.5-48.5-7.5000113.5E553 T597N551-E553 PolarHBondContact O-N 2.93Å; N551-T597 VanDerWaalsContact CA-O 3.23Å; N551-T597 WeakPolarHBondContact CA-O 3.32Å; N551-T597 PolarHBondContact N-O 2.92Å; N551-T597 VanDerWaalsContact N-O 3.07Å
552F83.1Confident81.8Confident74 Ų7471.1 Ų71.133%0.32538%0.381SS..EExtended strand (participates in β ladder)trans-64.4125.4167.3-172.1-78000110.2I539 R547 K549 I554 S596 T597I539-F552 HydrophobicContact CD1-CD1 4.07Å; I539-F552 HydrophobicContact CD1-CE1 3.96Å; I539-F552 HydrophobicContact CG1-CE1 4.31Å; R547-F552 HydrophobicContact CB-CD2 4.23Å; R547-F552 HydrophobicContact CB-CE2 4.38Å; R547-F552 HydrophobicContact CG-CB 4.2Å; R547-F552 HydrophobicContact CG-CD1 4.2Å; R547-F552 HydrophobicContact CG-CD2 3.44Å; R547-F552 VanDerWaalsContact CG-CD2 3.44Å; R547-F552 HydrophobicContact CG-CE1 4.48Å; R547-F552 HydrophobicContact CG-CE2 3.76Å; R547-F552 HydrophobicContact CG-CG 3.68Å; R547-F552 HydrophobicContact CG-CZ 4.27Å; K549-F552 PolarHBondContact O-N 3.06Å; F552-I554 PolarHBondContact O-N 2.99Å; F552-S596 CarbonylContact O-C 3.46Å; F552-S596 VanDerWaalsContact O-CA 3.22Å; F552-S596 WeakPolarHBondContact O-CA 3.45Å; F552-S596 VanDerWaalsContact O-CB 3.31Å; F552-S596 WeakPolarHBondContact O-CB 3.41Å; F552-T597 PolarHBondContact O-N 3.18Å; F552-T597 PolarHBondContact O-OG1 3.33Å
553E87.9Confident82Confident131 Ų13169.4 Ų69.461%0.61237%0.372SS*.EExtended strand (participates in β ladder)trans-72.7122-178.7-60.2174.1-170.400110.4N551 T594N551-E553 PolarHBondContact O-N 2.93Å; E553-T594 HydrophobicContact CB-CG2 4.02Å; E553-T594 HydrophobicContact CG-CG2 3.71Å
554I90.5Very high82.2Confident17 Ų1770 Ų709%0.08737%0.369CS..EExtended strand (participates in β ladder)trans-81.1-52.1178.2-53.5-177.5000109.5V537 I539 F552 I586 M595 T597 V631V537-I554 HydrophobicContact CB-CG2 4.35Å; V537-I554 HydrophobicContact CG1-CG2 3.84Å; I539-I554 HydrophobicContact CD1-CB 3.97Å; I539-I554 HydrophobicContact CD1-CG1 3.8Å; I539-I554 HydrophobicContact CD1-CG2 3.82Å; F552-I554 PolarHBondContact O-N 2.99Å; I554-I586 HydrophobicContact CD1-CG2 3.91Å; I554-M595 HydrophobicContact CB-CE 4.17Å; I554-M595 WeakPolarHBondContact CB-O 3.43Å; I554-M595 HydrophobicContact CD1-CE 4.14Å; I554-M595 HydrophobicContact CD1-CG 4.03Å; I554-M595 HydrophobicContact CD1-SD 4.33Å; I554-M595 HydrophobicContact CG2-CE 3.88Å; I554-M595 PolarHBondContact N-O 2.88Å; I554-T597 HydrophobicContact CD1-CG2 3.65Å; I554-T597 HydrophobicContact CG1-CG2 3.95Å; I554-V631 HydrophobicContact CG2-CG2 4.27Å
555I91.1Very high82.3Confident33 Ų3371.6 Ų71.617%0.16939%0.391CS..EExtended strand (participates in β ladder)trans-163.9149-179.9-171.7164.8000109Y535 V537 I557 M595 V629Y535-I555 HydrophobicContact CD1-CD1 3.37Å; Y535-I555 HydrophobicContact CD2-CD1 4.29Å; Y535-I555 HydrophobicContact CE1-CD1 3.91Å; Y535-I555 HydrophobicContact CG-CD1 3.57Å; V537-I555 HydrophobicContact CG2-CB 4.26Å; V537-I555 HydrophobicContact CG2-CD1 3.95Å; V537-I555 HydrophobicContact CG2-CG2 4.43Å; I555-I557 HydrophobicContact CD1-CD1 4.3Å; I555-I557 HydrophobicContact CG1-CD1 4.3Å; I555-I557 HydrophobicContact CG2-CD1 3.88Å; I555-M595 HydrophobicContact CG2-CB 4.4Å; I555-M595 HydrophobicContact CG2-CE 3.91Å; I555-M595 PolarHBondContact N-O 2.87Å; I555-M595 PolarHBondContact O-N 2.84Å; I555-V629 HydrophobicContact CG2-CG1 4.23Å; I555-V629 HydrophobicContact CG2-CG2 4.49Å
556T91.8Very high82.8Confident37 Ų3772.8 Ų72.823%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-103.2121.2164.3-64.80000108.4H558 S592 T594T556-H558 PolarHBondContact O-N 2.75Å; T556-S592 VanDerWaalsContact CG2-O 3.31Å; T556-S592 WeakPolarHBondContact CG2-O 3.27Å; T556-T594 WeakPolarHBondContact OG1-CG2 3.31Å; T556-T594 PolarHBondContact OG1-OG1 3.01Å
557I91.2Very high83.4Confident2 Ų265.7 Ų65.71%0.0136%0.357CS..  trans-77.6102.8178.4-54.4-54.1000108.6Y535 I555 A559 F572 G593 I613 I627 V629Y535-I557 HydrophobicContact CD2-CD1 3.83Å; Y535-I557 HydrophobicContact CE2-CD1 3.76Å; Y535-I557 HydrophobicContact CE2-CG2 4.35Å; I555-I557 HydrophobicContact CD1-CD1 4.3Å; I555-I557 HydrophobicContact CG1-CD1 4.3Å; I555-I557 HydrophobicContact CG2-CD1 3.88Å; I557-A559 PolarHBondContact O-N 2.71Å; I557-F572 HydrophobicContact CB-CD1 4.34Å; I557-F572 HydrophobicContact CB-CE1 3.92Å; I557-F572 HydrophobicContact CG2-CE1 3.89Å; I557-G593 PolarHBondContact N-O 2.75Å; I557-I613 HydrophobicContact CD1-CD1 4.03Å; I557-I613 HydrophobicContact CG1-CD1 3.71Å; I557-I627 HydrophobicContact CD1-CG2 4.29Å; I557-I627 HydrophobicContact CG2-CD1 4.16Å; I557-I627 HydrophobicContact CG2-CG1 4.09Å; I557-V629 HydrophobicContact CD1-CG2 4.02Å
558H88.6Confident84Confident109 Ų10966.8 Ų66.851%0.50537%0.368SS..  trans-79.2113171.5-67.8-53.4000109.7E531 T556E531-H558 HydrophobicContact CG-CB 4.06Å; E531-H558 PolarHBondContact N-O 3.29Å; T556-H558 PolarHBondContact O-N 2.75Å
559A88.6Confident85.5Confident22 Ų2266.5 Ų66.518%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-129.7143.1173.900000109.1I529 C530 I557 L570 F572I529-A559 CarbonylContact O-C 3.5Å; I529-A559 VanDerWaalsContact O-CA 3.27Å; I529-A559 WeakPolarHBondContact O-CA 3.06Å; C530-A559 HydrophobicContact CB-CB 4.5Å; I557-A559 PolarHBondContact O-N 2.71Å; A559-L570 HydrophobicContact CB-CD1 3.56Å; A559-L570 WeakPolarHBondContact O-CD1 3.48Å; A559-F572 HydrophobicContact CB-CE1 4.33Å; A559-F572 HydrophobicContact CB-CZ 4.23Å
560T90.5Very high86.9Confident96 Ų9659.8 Ų59.859%0.58933%0.326SS*.EExtended strand (participates in β ladder)trans-123.3121.8171.552.90000107.5I529I529-T560 WeakPolarHBondContact CA-O 3.49Å; I529-T560 WeakPolarHBondContact CB-O 3.47Å; I529-T560 PolarHBondContact N-O 2.69Å; I529-T560 PolarHBondContact O-N 3.16Å
561D90.7Very high88.5Confident21 Ų2159.1 Ų59.111%0.11231%0.309CS..  trans-79.5164.2154.8-135.7-60.2000110.3P528 A568 L570P528-D561 VanDerWaalsContact CA-OD2 3.3Å; P528-D561 WeakPolarHBondContact CA-OD2 3.28Å; P528-D561 WeakPolarHBondContact CD-OD2 3.34Å; P528-D561 VanDerWaalsContact CG-OD2 3.23Å; P528-D561 WeakPolarHBondContact CG-OD2 3.4Å; D561-A568 HydrophobicContact CB-CB 3.82Å; D561-L570 HydrophobicContact CB-CD2 4Å
562K88.3Confident89.6Confident104 Ų10455.1 Ų55.145%0.45229%0.287SS..  trans-99.9-33.3173.6-72.4-160.3-162.4161.60113.6R490 E491 H526R490-K562 PolarHBondContact NH2-O 3.26Å; E491-K562 HydrophobicContact CB-CD 4.13Å; E491-K562 HydrophobicContact CG-CB 3.64Å; E491-K562 HydrophobicContact CG-CD 3.58Å; E491-K562 HydrophobicContact CG-CG 4.34Å; H526-K562 HydrophobicContact CB-CB 4.32Å; H526-K562 WeakPolarHBondContact NE2-CE 3.3Å; H526-K562 PolarHBondContact NE2-NZ 2.84Å
563D91.7Very high90.1Very high7 Ų754 Ų544%0.03729%0.288CS..SBendtrans-57.8-157-168.4-6511.7000114.1R490 D522 N524 D525 H526 N567 A568R490-D563 PolarHBondContact NH2-O 2.84Å; D522-D563 WeakPolarHBondContact OD1-CA 3.23Å; D522-D563 WeakPolarHBondContact OD1-CB 3.01Å; N524-D563 VanDerWaalsContact CA-OD2 3.26Å; N524-D563 WeakPolarHBondContact CA-OD2 3.3Å; D525-D563 PolarHBondContact N-OD2 2.73Å; H526-D563 VanDerWaalsContact CB-OD1 3.28Å; H526-D563 WeakPolarHBondContact CB-OD1 2.92Å; H526-D563 IonicContact CG-OD1 3.51Å; H526-D563 PolarHBondContact N-OD1 2.73Å; H526-D563 PolarHBondContact N-OD2 2.78Å; H526-D563 IonicContact ND1-OD1 2.94Å; H526-D563 PolarHBondContact ND1-OD1 3.38Å; H526-D563 VanDerWaalsContact ND1-OD1 3.16Å; D563-N567 HydrophobicContact CB-CB 3.77Å; D563-A568 HydrophobicContact CB-CB 4.07Å; D563-A568 WeakPolarHBondContact O-CB 3.28Å
564E87.8Confident90.3Very high69 Ų6949.4 Ų49.432%0.32227%0.268SS..  trans-125148.5-176.6-151.4-162.3146.200113.3K519 D522 Q566 N567 A568K519-E564 VanDerWaalsContact CE-OE2 3.31Å; K519-E564 WeakPolarHBondContact CE-OE2 3.45Å; K519-E564 IonicContact NZ-OE1 3.03Å; K519-E564 PolarHBondContact NZ-OE1 2.96Å; K519-E564 IonicContact NZ-OE2 2.76Å; K519-E564 PolarHBondContact NZ-OE2 3.36Å; D522-E564 HydrophobicContact CB-CB 3.6Å; D522-E564 VanDerWaalsContact CG-CB 3.44Å; D522-E564 WeakPolarHBondContact OD1-CB 3.37Å; D522-E564 PolarHBondContact OD1-N 3.24Å; D522-E564 PolarHBondContact OD2-N 3Å; E564-Q566 PolarHBondContact O-N 2.95Å; E564-N567 PolarHBondContact O-N 2.9Å; E564-A568 PolarHBondContact O-N 2.96Å
565G87.8Confident90.3Very high58 Ų5849.1 Ų49.160%0.59827%0.266SS*.THydrogen-bonded Turntrans66.3-100.1160.200000113.8K569G565-K569 VanDerWaalsContact O-CB 3.31Å; G565-K569 WeakPolarHBondContact O-CB 3.42Å
566Q88Confident89.9Confident104 Ų10456.4 Ų56.449%0.48630%0.299SS..THydrogen-bonded Turntrans-95.5-28.5176.8-62.8-77.926.600112.3E564 K569 Y618E564-Q566 PolarHBondContact O-N 2.95Å; Q566-K569 PolarHBondContact O-N 2.86Å; Q566-Y618 CarbonylContact O-C 3.53Å; Q566-Y618 WeakPolarHBondContact O-CA 3.44Å; Q566-Y618 WeakPolarHBondContact O-CB 3.38Å; Q566-Y618 PolarHBondContact O-N 3Å
567N87.8Confident89.5Confident28 Ų2859.9 Ų59.915%0.1531%0.313CS..THydrogen-bonded Turntrans-70-38177.5-59.4-19.4000109.8D522 N524 D563 E564 D617 G619D522-N567 WeakPolarHBondContact OD2-CB 3.23Å; D522-N567 PolarHBondContact OD2-ND2 3.24Å; N524-N567 HydrophobicContact CB-CB 4.11Å; N524-N567 PolarHBondContact N-ND2 3.5Å; D563-N567 HydrophobicContact CB-CB 3.77Å; E564-N567 PolarHBondContact O-N 2.9Å; N567-D617 WeakPolarHBondContact O-CB 3.5Å; N567-G619 WeakPolarHBondContact OD1-CA 3.06Å
568A87.8Confident89.3Confident30 Ų3060.1 Ų60.125%0.24831%0.314CS..SBendtrans-84.7-2169.500000116D561 D563 E564 L570D561-A568 HydrophobicContact CB-CB 3.82Å; D563-A568 HydrophobicContact CB-CB 4.07Å; D563-A568 WeakPolarHBondContact O-CB 3.28Å; E564-A568 PolarHBondContact O-N 2.96Å; A568-L570 PolarHBondContact O-N 2.89Å
569K89.6Confident89.2Confident91 Ų9157.1 Ų57.140%0.39630%0.304SS..  trans-84.4110.5179.8-174.9-172.9172.4-156.10109.5G565 Q566 D617 Y618G565-K569 VanDerWaalsContact O-CB 3.31Å; G565-K569 WeakPolarHBondContact O-CB 3.42Å; Q566-K569 PolarHBondContact O-N 2.86Å; K569-D617 CarbonylContact O-C 3.27Å; K569-D617 VanDerWaalsContact O-CA 3.25Å; K569-D617 WeakPolarHBondContact O-CA 3.38Å; K569-Y618 HydrophobicContact CB-CD2 4.01Å; K569-Y618 HydrophobicContact CD-CD2 3.55Å; K569-Y618 HydrophobicContact CD-CE2 3.81Å; K569-Y618 HydrophobicContact CD-CG 4.37Å; K569-Y618 HydrophobicContact CG-CD2 3.69Å; K569-Y618 HydrophobicContact CG-CE2 4.02Å; K569-Y618 VanDerWaalsContact O-CD2 3.28Å; K569-Y618 WeakPolarHBondContact O-CD2 3.46Å; K569-Y618 PolarHBondContact O-N 3.06Å
570L91.6Very high89.1Confident26 Ų2660.8 Ų60.814%0.13633%0.327CS..  trans-79.1146.9179-56.5-177.3000112.8P528 A559 D561 A568 F572 S616P528-L570 HydrophobicContact CB-CD2 3.7Å; P528-L570 HydrophobicContact CG-CD2 3.8Å; A559-L570 HydrophobicContact CB-CD1 3.56Å; A559-L570 WeakPolarHBondContact O-CD1 3.48Å; D561-L570 HydrophobicContact CB-CD2 4Å; A568-L570 PolarHBondContact O-N 2.89Å; L570-F572 HydrophobicContact CB-CE2 4.17Å; L570-F572 HydrophobicContact CB-CZ 4.37Å; L570-F572 HydrophobicContact CD1-CZ 4.43Å; L570-S616 CarbonylContact C-O 3.56Å; L570-S616 WeakPolarHBondContact CA-O 3.23Å
571R93Very high88.9Confident85 Ų8561.7 Ų61.732%0.32132%0.322SS..EExtended strand (participates in β ladder)trans-131.6144.9164.747.9169.9-177.3-169.3-3.9109.3S590 S616 D617 Y618 A622R571-S590 VanDerWaalsContact CA-O 3.25Å; R571-S590 WeakPolarHBondContact CA-O 3.44Å; R571-S616 WeakPolarHBondContact CG-O 3.31Å; R571-S616 PolarHBondContact N-O 2.73Å; R571-S616 PolarHBondContact NE-OG 2.93Å; R571-S616 PolarHBondContact NH2-OG 2.88Å; R571-S616 PolarHBondContact O-N 2.92Å; R571-D617 PolarHBondContact NE-O 3.43Å; R571-D617 PolarHBondContact NH2-O 3.07Å; R571-Y618 HydrophobicContact CB-CD2 4.38Å; R571-Y618 HydrophobicContact CB-CE2 3.61Å; R571-Y618 HydrophobicContact CG-CD2 4.18Å; R571-Y618 HydrophobicContact CG-CE2 3.86Å; R571-A622 VanDerWaalsContact NH2-CB 3.3Å
572F94Very high88.8Confident14 Ų1460.7 Ų60.76%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-115.3138.4179.6-59.5-93000110.8I557 A559 L570 I588 S590 G593 I613 I614 C615I557-F572 HydrophobicContact CB-CD1 4.34Å; I557-F572 HydrophobicContact CB-CE1 3.92Å; I557-F572 HydrophobicContact CG2-CE1 3.89Å; A559-F572 HydrophobicContact CB-CE1 4.33Å; A559-F572 HydrophobicContact CB-CZ 4.23Å; L570-F572 HydrophobicContact CB-CE2 4.17Å; L570-F572 HydrophobicContact CB-CZ 4.37Å; L570-F572 HydrophobicContact CD1-CZ 4.43Å; F572-I588 HydrophobicContact CB-CD1 3.76Å; F572-I588 HydrophobicContact CB-CG1 4.12Å; F572-S590 PolarHBondContact N-O 3.28Å; F572-S590 WeakPolarHBondContact O-CA 3.41Å; F572-G593 VanDerWaalsContact CD2-N 3.33Å; F572-I613 HydrophobicContact CD1-CG2 4.27Å; F572-I614 WeakPolarHBondContact CA-O 3.44Å; F572-C615 HydrophobicContact CD1-CB 3.82Å; F572-C615 HydrophobicContact CE1-CB 3.71Å; F572-C615 WeakPolarHBondContact CE1-SG 3.3Å
573S93.4Very high88.5Confident50 Ų5060.2 Ų60.235%0.3532%0.319SS..EExtended strand (participates in β ladder)trans-148.8161.7178.2600000111.6I613 I614S573-I613 WeakPolarHBondContact O-CA 3.25Å; S573-I614 PolarHBondContact N-O 3.05Å; S573-I614 PolarHBondContact O-N 2.83Å
574L92.5Very high88.2Confident35 Ų3565.8 Ų65.818%0.18335%0.349CS..EExtended strand (participates in β ladder)trans-84.3129.4171.2-57.3178.9000108.9L583 I586 I588 V611 I613L574-L583 HydrophobicContact CD1-CD2 3.82Å; L574-I586 HydrophobicContact CD1-CD1 4.33Å; L574-I586 HydrophobicContact CD1-CG1 4.32Å; L574-I586 HydrophobicContact CD2-CD1 4.29Å; L574-I588 HydrophobicContact CD2-CB 4.4Å; L574-I588 HydrophobicContact CD2-CG2 4.03Å; L574-I588 HydrophobicContact CG-CG2 3.97Å; L574-V611 HydrophobicContact CD2-CG1 3.58Å; L574-I613 HydrophobicContact CD2-CG1 4.47Å
575D90.1Very high88.2Confident10 Ų1063.8 Ų63.85%0.05334%0.34CS..  trans-62.7151.7175.2-158.9-46.9000110.6E577 T578 T612 I614 R626D575-E577 HydrophobicContact CB-CB 4.4Å; D575-E577 PolarHBondContact O-N 2.83Å; D575-E577 PolarHBondContact OD1-N 2.8Å; D575-T578 PolarHBondContact N-OG1 3.47Å; D575-T578 WeakPolarHBondContact O-CB 3.44Å; D575-T578 PolarHBondContact O-N 3.23Å; D575-T578 PolarHBondContact O-OG1 2.76Å; D575-T612 HydrophobicContact CB-CG2 3.68Å; D575-T612 VanDerWaalsContact CB-O 3.31Å; D575-T612 WeakPolarHBondContact CB-O 3.4Å; D575-T612 PolarHBondContact N-O 3.02Å; D575-I614 HydrophobicContact CB-CD1 3.98Å; D575-I614 HydrophobicContact CB-CG1 3.88Å; D575-R626 IonicContact OD1-NH2 2.75Å; D575-R626 PolarHBondContact OD1-NH2 3.39Å; D575-R626 IonicContact OD2-CZ 2.66Å; D575-R626 IonicContact OD2-NE 2.9Å; D575-R626 PolarHBondContact OD2-NE 2.66Å; D575-R626 IonicContact OD2-NH2 3.73Å; D575-R626 PolarHBondContact OD2-NH2 3.35Å
576H84.4Confident88.3Confident186 Ų18661.2 Ų61.286%0.86131%0.313SS*.THydrogen-bonded Turntrans-61.4-21169.2-55.5-39.8000112.8T578H576-T578 PolarHBondContact O-N 3.46Å
577E81.8Confident88.5Confident111 Ų11158.8 Ų58.852%0.51931%0.305SS..THydrogen-bonded Turntrans-69.9-15.7169.1-70.2178.5-160.500113.6D575 P579 R626D575-E577 HydrophobicContact CB-CB 4.4Å; D575-E577 PolarHBondContact O-N 2.83Å; D575-E577 PolarHBondContact OD1-N 2.8Å; E577-P579 WeakPolarHBondContact O-CD 3.45Å; E577-R626 VanDerWaalsContact CD-NH1 3.3Å; E577-R626 IonicContact OE1-CZ 3.33Å; E577-R626 IonicContact OE1-NH1 3.82Å; E577-R626 PolarHBondContact OE1-NH1 3.14Å; E577-R626 IonicContact OE1-NH2 2.95Å; E577-R626 PolarHBondContact OE1-NH2 2.88Å; E577-R626 IonicContact OE2-CZ 3.82Å; E577-R626 IonicContact OE2-NH1 2.77Å; E577-R626 PolarHBondContact OE2-NH1 2.92Å; E577-R626 IonicContact OE2-NH2 2.65Å
578T86.8Confident88.7Confident6 Ų658.6 Ų58.64%0.03730%0.304CS..SBendtrans-68123.3177.1-56.40000110.2D575 H576 L582 V611 T612D575-T578 PolarHBondContact N-OG1 3.47Å; D575-T578 WeakPolarHBondContact O-CB 3.44Å; D575-T578 PolarHBondContact O-N 3.23Å; D575-T578 PolarHBondContact O-OG1 2.76Å; H576-T578 PolarHBondContact O-N 3.46Å; T578-L582 HydrophobicContact CG2-CB 4.38Å; T578-L582 HydrophobicContact CG2-CD1 3.88Å; T578-V611 HydrophobicContact CG2-CG1 4.14Å; T578-T612 PolarHBondContact OG1-O 2.79Å
579P87.9Confident88.9Confident46 Ų4660.6 Ų60.630%0.29931%0.31SS..  trans-53.5124.2-176.1-30.234.4000113.9E577 F581 L582E577-P579 WeakPolarHBondContact O-CD 3.45Å; P579-F581 HydrophobicContact CB-CD1 3.78Å; P579-F581 HydrophobicContact CB-CE1 3.34Å; P579-F581 HydrophobicContact CB-CZ 3.81Å; P579-F581 HydrophobicContact CG-CE1 4.3Å; P579-F581 HydrophobicContact CG-CZ 4.49Å; P579-F581 PolarHBondContact O-N 3.36Å; P579-L582 HydrophobicContact CB-CD1 4.23Å; P579-L582 HydrophobicContact CB-CG 4.34Å; P579-L582 HydrophobicContact CG-CD1 4.24Å; P579-L582 WeakPolarHBondContact O-CB 3.36Å; P579-L582 PolarHBondContact O-N 3.36Å
580P86Confident89Confident100 Ų10058.8 Ų58.865%0.64931%0.309SS*.G310 helixtrans-59-19.8-170.3-30.536.1000116.7L582 L583P580-L582 VanDerWaalsContact C-N 3.26Å; P580-L582 PolarHBondContact O-N 3.17Å; P580-L583 HydrophobicContact CB-CD1 4.45Å; P580-L583 WeakPolarHBondContact O-CB 3.43Å; P580-L583 PolarHBondContact O-N 3.04Å
581F85.5Confident88.9Confident114 Ų11462.7 Ų62.750%0.533%0.33SS..G310 helixtrans-68.8-25.417564.5-99000112.9P579 L583 L606P579-F581 HydrophobicContact CB-CD1 3.78Å; P579-F581 HydrophobicContact CB-CE1 3.34Å; P579-F581 HydrophobicContact CB-CZ 3.81Å; P579-F581 HydrophobicContact CG-CE1 4.3Å; P579-F581 HydrophobicContact CG-CZ 4.49Å; P579-F581 PolarHBondContact O-N 3.36Å; F581-L583 VanDerWaalsContact C-N 3.25Å; F581-L583 PolarHBondContact O-N 2.85Å; F581-L606 HydrophobicContact CE2-CD1 3.93Å; F581-L606 HydrophobicContact CE2-CD2 4.09Å; F581-L606 HydrophobicContact CZ-CD1 4.31Å
582L88.5Confident88.8Confident0 Ų061.2 Ų61.20%033%0.333CS..G310 helixtrans-68.7-23.1177.6-64176.7000112.5T578 P579 P580 N584 I585 I586 L606 F609T578-L582 HydrophobicContact CG2-CB 4.38Å; T578-L582 HydrophobicContact CG2-CD1 3.88Å; P579-L582 HydrophobicContact CB-CD1 4.23Å; P579-L582 HydrophobicContact CB-CG 4.34Å; P579-L582 HydrophobicContact CG-CD1 4.24Å; P579-L582 WeakPolarHBondContact O-CB 3.36Å; P579-L582 PolarHBondContact O-N 3.36Å; P580-L582 VanDerWaalsContact C-N 3.26Å; P580-L582 PolarHBondContact O-N 3.17Å; L582-N584 PolarHBondContact O-N 3.45Å; L582-I585 PolarHBondContact O-N 3.41Å; L582-I586 HydrophobicContact CB-CD1 4.07Å; L582-I586 HydrophobicContact CB-CG1 4.08Å; L582-I586 HydrophobicContact CD1-CD1 4.47Å; L582-I586 WeakPolarHBondContact O-CG1 3.38Å; L582-I586 PolarHBondContact O-N 3.39Å; L582-L606 HydrophobicContact CD2-CD2 3.8Å; L582-F609 HydrophobicContact CD1-CB 4.37Å; L582-F609 HydrophobicContact CD1-CD2 3.85Å; L582-F609 HydrophobicContact CD1-CG 4.48Å; L582-F609 HydrophobicContact CD2-CB 4.12Å; L582-F609 HydrophobicContact CD2-CD2 3.67Å; L582-F609 HydrophobicContact CD2-CE2 4.15Å; L582-F609 HydrophobicContact CD2-CG 3.9Å; L582-F609 HydrophobicContact CG-CD2 4.44Å
583L83.3Confident88.6Confident95 Ų9560.5 Ų60.550%0.49733%0.33SS..G310 helixtrans-62-13.4-179.7-59.6174.5000114L574 P580 F581L574-L583 HydrophobicContact CD1-CD2 3.82Å; P580-L583 HydrophobicContact CB-CD1 4.45Å; P580-L583 WeakPolarHBondContact O-CB 3.43Å; P580-L583 PolarHBondContact O-N 3.04Å; F581-L583 VanDerWaalsContact C-N 3.25Å; F581-L583 PolarHBondContact O-N 2.85Å
584N84.6Confident88.6Confident124 Ų12459 Ų5966%0.66332%0.319SS*.G310 helixtrans-99.2-4.3173.5-61.2-46.4000113.5L582L582-N584 PolarHBondContact O-N 3.45Å
585I87Confident88.6Confident27 Ų2757.4 Ų57.414%0.13831%0.31CS..THydrogen-bonded Turntrans-118.7-39.3-170.8-56.3174.1000110.8L582 T597 L598 L601 L606L582-I585 PolarHBondContact O-N 3.41Å; I585-T597 CarbonylContact O-C 3.59Å; I585-T597 VanDerWaalsContact O-CA 3.25Å; I585-T597 WeakPolarHBondContact O-CA 3.48Å; I585-L598 PolarHBondContact O-N 2.92Å; I585-L601 HydrophobicContact CG2-CD1 4.2Å; I585-L606 HydrophobicContact CD1-CD2 4.27Å
586I90.6Very high88.6Confident3 Ų357.6 Ų57.62%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-119154.4179.263.8174.9000111.9I554 L574 L582 M595 S596 F609 V611I554-I586 HydrophobicContact CD1-CG2 3.91Å; L574-I586 HydrophobicContact CD1-CD1 4.33Å; L574-I586 HydrophobicContact CD1-CG1 4.32Å; L574-I586 HydrophobicContact CD2-CD1 4.29Å; L582-I586 HydrophobicContact CB-CD1 4.07Å; L582-I586 HydrophobicContact CB-CG1 4.08Å; L582-I586 HydrophobicContact CD1-CD1 4.47Å; L582-I586 WeakPolarHBondContact O-CG1 3.38Å; L582-I586 PolarHBondContact O-N 3.39Å; I586-M595 HydrophobicContact CD1-SD 4.12Å; I586-S596 CarbonylContact C-O 3.57Å; I586-S596 WeakPolarHBondContact CA-O 3.12Å; I586-F609 HydrophobicContact CG2-CE2 4.01Å; I586-F609 HydrophobicContact CG2-CZ 4.19Å; I586-V611 HydrophobicContact CD1-CB 4.22Å; I586-V611 HydrophobicContact CD1-CG1 3.64Å; I586-V611 HydrophobicContact CD1-CG2 3.46Å; I586-V611 VanDerWaalsContact CD1-CG2 3.46Å
587T91.5Very high88.8Confident54 Ų5448.8 Ų48.833%0.33127%0.271SS..EExtended strand (participates in β ladder)trans-138.7163.9166.6-170.90000109.4M595 S596 L598T587-M595 CarbonylContact O-C 3.47Å; T587-M595 WeakPolarHBondContact O-CA 3.44Å; T587-S596 VanDerWaalsContact CG2-OG 3.32Å; T587-S596 WeakPolarHBondContact CG2-OG 3.49Å; T587-S596 PolarHBondContact N-O 2.95Å; T587-S596 PolarHBondContact O-N 3.31Å; T587-L598 HydrophobicContact CG2-CD2 3.69Å; T587-L598 HydrophobicContact CG2-CG 4.11Å
588I93.5Very high88.9Confident23 Ų2347 Ų4712%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-132.4131.9173.7-168.9164.7000109.4F572 L574 S590 T594 M595 I613F572-I588 HydrophobicContact CB-CD1 3.76Å; F572-I588 HydrophobicContact CB-CG1 4.12Å; L574-I588 HydrophobicContact CD2-CB 4.4Å; L574-I588 HydrophobicContact CD2-CG2 4.03Å; L574-I588 HydrophobicContact CG-CG2 3.97Å; I588-S590 PolarHBondContact O-N 2.86Å; I588-T594 WeakPolarHBondContact CA-O 3.48Å; I588-M595 HydrophobicContact CG1-CB 4.49Å; I588-I613 HydrophobicContact CD1-CB 4.39Å; I588-I613 HydrophobicContact CD1-CD1 3.76Å; I588-I613 HydrophobicContact CD1-CG1 3.93Å; I588-I613 HydrophobicContact CD1-CG2 3.56Å
589D92Very high88.5Confident72 Ų7247.2 Ų47.239%0.38527%0.269SS..  trans-72.3126.2169.9-174.6-79.6000109.4N591 S592 G593 T594D589-N591 PolarHBondContact O-N 2.95Å; D589-N591 VanDerWaalsContact O-N 3.14Å; D589-N591 WeakPolarHBondContact OD1-CA 3.2Å; D589-N591 WeakPolarHBondContact OD1-CB 3.31Å; D589-N591 PolarHBondContact OD1-N 2.88Å; D589-N591 PolarHBondContact OD1-ND2 2.96Å; D589-S592 WeakPolarHBondContact CB-OG 3.26Å; D589-S592 PolarHBondContact OD1-N 3.07Å; D589-G593 PolarHBondContact O-N 3.18Å; D589-T594 PolarHBondContact N-O 2.88Å
590S92.1Very high88.2Confident54 Ų5451.5 Ų51.538%0.37829%0.289SS..THydrogen-bonded Turntrans-68.2-13.6-173.264.90000114.2R571 F572 I588R571-S590 VanDerWaalsContact CA-O 3.25Å; R571-S590 WeakPolarHBondContact CA-O 3.44Å; F572-S590 PolarHBondContact N-O 3.28Å; F572-S590 WeakPolarHBondContact O-CA 3.41Å; I588-S590 PolarHBondContact O-N 2.86Å
591N89.7Confident88.2Confident107 Ų10747 Ų4757%0.57226%0.259SS*.THydrogen-bonded Turntrans-113.6-37.9-173.4-40.9-80.3000112.1D589D589-N591 PolarHBondContact O-N 2.95Å; D589-N591 VanDerWaalsContact O-N 3.14Å; D589-N591 WeakPolarHBondContact OD1-CA 3.2Å; D589-N591 WeakPolarHBondContact OD1-CB 3.31Å; D589-N591 PolarHBondContact OD1-N 2.88Å; D589-N591 PolarHBondContact OD1-ND2 2.96Å
592S89.3Confident88.4Confident54 Ų5443.2 Ų43.238%0.37824%0.244SC..THydrogen-bonded Turntrans-89-18.5179.175.40000114T556 D589 T594T556-S592 VanDerWaalsContact CG2-O 3.31Å; T556-S592 WeakPolarHBondContact CG2-O 3.27Å; D589-S592 WeakPolarHBondContact CB-OG 3.26Å; D589-S592 PolarHBondContact OD1-N 3.07Å; S592-T594 PolarHBondContact O-N 3.2Å; S592-T594 VanDerWaalsContact OG-CB 3.25Å; S592-T594 WeakPolarHBondContact OG-CB 3.47Å; S592-T594 PolarHBondContact OG-N 2.83Å; S592-T594 PolarHBondContact OG-OG1 2.89Å
593G90.7Very high88.6Confident0 Ų043.9 Ų43.90%025%0.247CC..  trans70.913.8-172.300000113.6I557 F572 D589 M595I557-G593 PolarHBondContact N-O 2.75Å; F572-G593 VanDerWaalsContact CD2-N 3.33Å; D589-G593 PolarHBondContact O-N 3.18Å; G593-M595 PolarHBondContact O-N 2.86Å
594T92.7Very high88.9Confident19 Ų1941.6 Ų41.612%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-78.9107.3177.6-52.20000110.1E553 T556 I588 D589 S592E553-T594 HydrophobicContact CB-CG2 4.02Å; E553-T594 HydrophobicContact CG-CG2 3.71Å; T556-T594 WeakPolarHBondContact OG1-CG2 3.31Å; T556-T594 PolarHBondContact OG1-OG1 3.01Å; I588-T594 WeakPolarHBondContact CA-O 3.48Å; D589-T594 PolarHBondContact N-O 2.88Å; S592-T594 PolarHBondContact O-N 3.2Å; S592-T594 VanDerWaalsContact OG-CB 3.25Å; S592-T594 WeakPolarHBondContact OG-CB 3.47Å; S592-T594 PolarHBondContact OG-N 2.83Å; S592-T594 PolarHBondContact OG-OG1 2.89Å
595M92.7Very high89Confident0 Ų043.5 Ų43.50%024%0.236CC..EExtended strand (participates in β ladder)trans-80.1129.7167.7-176.6173.45600109I554 I555 I586 T587 I588 G593 V611 I613 V629 V631I554-M595 HydrophobicContact CB-CE 4.17Å; I554-M595 WeakPolarHBondContact CB-O 3.43Å; I554-M595 HydrophobicContact CD1-CE 4.14Å; I554-M595 HydrophobicContact CD1-CG 4.03Å; I554-M595 HydrophobicContact CD1-SD 4.33Å; I554-M595 HydrophobicContact CG2-CE 3.88Å; I554-M595 PolarHBondContact N-O 2.88Å; I555-M595 HydrophobicContact CG2-CB 4.4Å; I555-M595 HydrophobicContact CG2-CE 3.91Å; I555-M595 PolarHBondContact N-O 2.87Å; I555-M595 PolarHBondContact O-N 2.84Å; I586-M595 HydrophobicContact CD1-SD 4.12Å; T587-M595 CarbonylContact O-C 3.47Å; T587-M595 WeakPolarHBondContact O-CA 3.44Å; I588-M595 HydrophobicContact CG1-CB 4.49Å; G593-M595 PolarHBondContact O-N 2.86Å; M595-V611 HydrophobicContact CE-CG2 4.3Å; M595-V611 HydrophobicContact SD-CB 3.98Å; M595-V611 HydrophobicContact SD-CG1 3.82Å; M595-V611 HydrophobicContact SD-CG2 3.79Å; M595-I613 HydrophobicContact CB-CD1 4.37Å; M595-I613 HydrophobicContact CE-CD1 4.39Å; M595-I613 HydrophobicContact SD-CD1 4.2Å; M595-V629 HydrophobicContact CE-CB 3.85Å; M595-V629 HydrophobicContact CE-CG1 3.63Å; M595-V629 HydrophobicContact CE-CG2 4.05Å; M595-V631 HydrophobicContact CE-CG2 4.17Å
596S90.8Very high89.1Confident14 Ų1443.4 Ų43.410%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-137.4156.2-178.659.10000111.7F552 I586 T587F552-S596 CarbonylContact O-C 3.46Å; F552-S596 VanDerWaalsContact O-CA 3.22Å; F552-S596 WeakPolarHBondContact O-CA 3.45Å; F552-S596 VanDerWaalsContact O-CB 3.31Å; F552-S596 WeakPolarHBondContact O-CB 3.41Å; I586-S596 CarbonylContact C-O 3.57Å; I586-S596 WeakPolarHBondContact CA-O 3.12Å; T587-S596 VanDerWaalsContact CG2-OG 3.32Å; T587-S596 WeakPolarHBondContact CG2-OG 3.49Å; T587-S596 PolarHBondContact N-O 2.95Å; T587-S596 PolarHBondContact O-N 3.31Å
597T88.6Confident89Confident1 Ų146.3 Ų46.31%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-88126.6175.250.70000111.7R547 N551 F552 I554 I585 G599 L601R547-T597 PolarHBondContact NH1-OG1 2.91Å; R547-T597 PolarHBondContact NH2-OG1 2.86Å; R547-T597 VanDerWaalsContact NH2-OG1 3.09Å; N551-T597 VanDerWaalsContact CA-O 3.23Å; N551-T597 WeakPolarHBondContact CA-O 3.32Å; N551-T597 PolarHBondContact N-O 2.92Å; N551-T597 VanDerWaalsContact N-O 3.07Å; F552-T597 PolarHBondContact O-N 3.18Å; F552-T597 PolarHBondContact O-OG1 3.33Å; I554-T597 HydrophobicContact CD1-CG2 3.65Å; I554-T597 HydrophobicContact CG1-CG2 3.95Å; I585-T597 CarbonylContact O-C 3.59Å; I585-T597 VanDerWaalsContact O-CA 3.25Å; I585-T597 WeakPolarHBondContact O-CA 3.48Å; T597-G599 PolarHBondContact O-N 3.38Å; T597-L601 HydrophobicContact CG2-CD2 4.24Å
598L83.8Confident89Confident75 Ų7550 Ų5039%0.39327%0.265SS..  trans-66.8-25.9167.2-63.1172.9000111.9I585 T587I585-L598 PolarHBondContact O-N 2.92Å; T587-L598 HydrophobicContact CG2-CD2 3.69Å; T587-L598 HydrophobicContact CG2-CG 4.11Å
599G78.4Confident88.9Confident10 Ų1049.6 Ų49.610%0.10326%0.262CS..SBendtrans120.1-177.117600000112.7D542 T597 L601D542-G599 WeakPolarHBondContact OD2-CA 3.48Å; T597-G599 PolarHBondContact O-N 3.38Å; G599-L601 VanDerWaalsContact C-N 3.3Å
600N80.3Confident88.9Confident136 Ų13648.8 Ų48.873%0.72726%0.26SS*.  trans65.229.9-168-38.1-89000113D542D542-N600 WeakPolarHBondContact OD2-CA 3.47Å; D542-N600 PolarHBondContact OD2-N 2.88Å
601L87.6Confident88.9Confident5 Ų546.2 Ų46.23%0.02624%0.242CC..  trans-77126.6168.5-169.866.8000109.2I539 E541 D542 I585 T597 G599 F609 V633I539-L601 HydrophobicContact CG2-CD2 4.1Å; E541-L601 WeakPolarHBondContact CB-O 3.25Å; D542-L601 PolarHBondContact N-O 2.82Å; D542-L601 VanDerWaalsContact N-O 3.07Å; D542-L601 PolarHBondContact OD2-N 3.47Å; I585-L601 HydrophobicContact CG2-CD1 4.2Å; T597-L601 HydrophobicContact CG2-CD2 4.24Å; G599-L601 VanDerWaalsContact C-N 3.3Å; L601-F609 HydrophobicContact CD1-CE1 3.93Å; L601-F609 HydrophobicContact CD1-CZ 4.45Å; L601-V633 HydrophobicContact CD1-CG2 3.81Å; L601-V633 HydrophobicContact CD2-CG1 4.33Å; L601-V633 HydrophobicContact CD2-CG2 4.32Å; L601-V633 HydrophobicContact CG-CG1 4.22Å; L601-V633 HydrophobicContact CG-CG2 4.26Å
602D89.4Confident89Confident35 Ų3541.6 Ų41.619%0.18722%0.218CC..  trans-156.6117.5-162.6175.1-77.9000107.7K605 L606D602-K605 HydrophobicContact CB-CB 4.46Å; D602-K605 HydrophobicContact CB-CD 4.32Å; D602-K605 PolarHBondContact O-N 3.38Å; D602-K605 VanDerWaalsContact OD1-CB 3.26Å; D602-K605 WeakPolarHBondContact OD1-CB 3.38Å; D602-K605 WeakPolarHBondContact OD1-CD 3.37Å; D602-K605 WeakPolarHBondContact OD1-CG 3.38Å; D602-K605 PolarHBondContact OD1-N 3.38Å; D602-K605 IonicContact OD1-NZ 2.67Å; D602-K605 PolarHBondContact OD1-NZ 2.71Å; D602-K605 IonicContact OD2-NZ 3.45Å; D602-K605 PolarHBondContact OD2-NZ 2.8Å; D602-L606 PolarHBondContact O-N 3.37Å
603R92.3Very high89.2Confident13 Ų1339 Ų395%0.04920%0.2CC..THydrogen-bonded Turntrans-77.1-25.6-167-163.3-154.253.255.8-11.9112.4E541 K605 L606 N607 V633 D635 K670 D671E541-R603 WeakPolarHBondContact OE2-CB 3.16Å; E541-R603 PolarHBondContact OE2-N 3.26Å; R603-K605 VanDerWaalsContact C-N 3.29Å; R603-L606 CarbonylContact O-C 3.47Å; R603-N607 HydrophobicContact CG-CB 4.14Å; R603-N607 PolarHBondContact O-N 3.09Å; R603-V633 HydrophobicContact CB-CB 4.37Å; R603-V633 HydrophobicContact CB-CG1 3.79Å; R603-V633 HydrophobicContact CG-CB 3.97Å; R603-V633 HydrophobicContact CG-CG1 3.9Å; R603-D635 IonicContact CZ-OD1 2.73Å; R603-D635 VanDerWaalsContact CZ-OD1 3.22Å; R603-D635 IonicContact NE-OD1 3.28Å; R603-D635 PolarHBondContact NE-OD1 3.07Å; R603-D635 IonicContact NH2-OD1 2.86Å; R603-D635 PolarHBondContact NH2-OD1 2.76Å; R603-K670 PolarHBondContact NH2-O 3.43Å; R603-D671 VanDerWaalsContact NH2-C 3.3Å
604E88.8Confident89.3Confident47 Ų4740.6 Ų40.622%0.2221%0.208CC..THydrogen-bonded Turntrans-70.4-31177.5-7356.3-113.200111N639 K670E604-N639 VanDerWaalsContact CD-ND2 3.33Å; E604-N639 PolarHBondContact OE2-ND2 2.94Å; E604-K670 HydrophobicContact CG-CB 3.65Å; E604-K670 HydrophobicContact CG-CD 4.12Å
605K87.7Confident89.3Confident164 Ų16439.7 Ų39.771%0.71320%0.202SC*.THydrogen-bonded Turntrans-85.9-36172-69.9169.5-161.770.20112.8D602 R603D602-K605 HydrophobicContact CB-CB 4.46Å; D602-K605 HydrophobicContact CB-CD 4.32Å; D602-K605 PolarHBondContact O-N 3.38Å; D602-K605 VanDerWaalsContact OD1-CB 3.26Å; D602-K605 WeakPolarHBondContact OD1-CB 3.38Å; D602-K605 WeakPolarHBondContact OD1-CD 3.37Å; D602-K605 WeakPolarHBondContact OD1-CG 3.38Å; D602-K605 PolarHBondContact OD1-N 3.38Å; D602-K605 IonicContact OD1-NZ 2.67Å; D602-K605 PolarHBondContact OD1-NZ 2.71Å; D602-K605 IonicContact OD2-NZ 3.45Å; D602-K605 PolarHBondContact OD2-NZ 2.8Å; R603-K605 VanDerWaalsContact C-N 3.29Å
606L88.4Confident89.3Confident25 Ų2540 Ų4013%0.13120%0.204CC..  trans-149.389.5-172.9-170.266.5000111.9F581 L582 I585 D602 R603 F609 V633F581-L606 HydrophobicContact CE2-CD1 3.93Å; F581-L606 HydrophobicContact CE2-CD2 4.09Å; F581-L606 HydrophobicContact CZ-CD1 4.31Å; L582-L606 HydrophobicContact CD2-CD2 3.8Å; I585-L606 HydrophobicContact CD1-CD2 4.27Å; D602-L606 PolarHBondContact O-N 3.37Å; R603-L606 CarbonylContact O-C 3.47Å; L606-F609 HydrophobicContact CD1-CB 4.27Å; L606-F609 HydrophobicContact CD2-CB 4.24Å; L606-F609 HydrophobicContact CD2-CD1 3.57Å; L606-F609 HydrophobicContact CD2-CE1 4.09Å; L606-F609 HydrophobicContact CD2-CG 4.03Å; L606-F609 HydrophobicContact CG-CB 4.4Å; L606-F609 HydrophobicContact CG-CD1 3.9Å; L606-F609 HydrophobicContact CG-CG 4.5Å; L606-V633 WeakPolarHBondContact O-CG2 3.33Å
607N88.9Confident89.3Confident64 Ų6439.3 Ų39.334%0.34220%0.199SC..SBendtrans-76.3-29.8-178.967.5-67.3000114R603 V633R603-N607 HydrophobicContact CG-CB 4.14Å; R603-N607 PolarHBondContact O-N 3.09Å; N607-V633 PolarHBondContact O-N 3.49Å
608E92Very high89.3Confident132 Ų13243.3 Ų43.362%0.61722%0.215SC*.EExtended strand (participates in β ladder)trans-149.9147.1177.167.4-171.2-169.800110.7V631E608-V631 WeakPolarHBondContact CA-O 3.17Å
609F91.6Very high89.3Confident14 Ų1440.2 Ų40.26%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-150.8153.5171.259.5-80.8000110.8L582 I586 L601 L606 V611 V631 V633L582-F609 HydrophobicContact CD1-CB 4.37Å; L582-F609 HydrophobicContact CD1-CD2 3.85Å; L582-F609 HydrophobicContact CD1-CG 4.48Å; L582-F609 HydrophobicContact CD2-CB 4.12Å; L582-F609 HydrophobicContact CD2-CD2 3.67Å; L582-F609 HydrophobicContact CD2-CE2 4.15Å; L582-F609 HydrophobicContact CD2-CG 3.9Å; L582-F609 HydrophobicContact CG-CD2 4.44Å; I586-F609 HydrophobicContact CG2-CE2 4.01Å; I586-F609 HydrophobicContact CG2-CZ 4.19Å; L601-F609 HydrophobicContact CD1-CE1 3.93Å; L601-F609 HydrophobicContact CD1-CZ 4.45Å; L606-F609 HydrophobicContact CD1-CB 4.27Å; L606-F609 HydrophobicContact CD2-CB 4.24Å; L606-F609 HydrophobicContact CD2-CD1 3.57Å; L606-F609 HydrophobicContact CD2-CE1 4.09Å; L606-F609 HydrophobicContact CD2-CG 4.03Å; L606-F609 HydrophobicContact CG-CB 4.4Å; L606-F609 HydrophobicContact CG-CD1 3.9Å; L606-F609 HydrophobicContact CG-CG 4.5Å; F609-V611 HydrophobicContact CD2-CG2 3.62Å; F609-V611 HydrophobicContact CE2-CG2 3.58Å; F609-V631 HydrophobicContact CD1-CB 4.08Å; F609-V631 HydrophobicContact CD1-CG1 4.3Å; F609-V631 HydrophobicContact CD2-CB 4.12Å; F609-V631 HydrophobicContact CD2-CG2 4.32Å; F609-V631 HydrophobicContact CE1-CB 3.73Å; F609-V631 HydrophobicContact CE1-CG1 3.54Å; F609-V631 HydrophobicContact CE2-CB 3.78Å; F609-V631 HydrophobicContact CE2-CG1 4.21Å; F609-V631 HydrophobicContact CE2-CG2 3.78Å; F609-V631 HydrophobicContact CG-CB 4.27Å; F609-V631 HydrophobicContact CZ-CB 3.59Å; F609-V631 HydrophobicContact CZ-CG1 3.5Å; F609-V631 HydrophobicContact CZ-CG2 3.92Å; F609-V631 PolarHBondContact N-O 2.78Å; F609-V631 PolarHBondContact O-N 2.78Å; F609-V633 HydrophobicContact CD1-CG2 4.35Å; F609-V633 HydrophobicContact CE1-CG2 3.96Å
610T91.7Very high89.3Confident56 Ų5649.4 Ų49.434%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-109.8131.5171.1-58.70000109F628 V629 H630T610-F628 HydrophobicContact CG2-CB 4.34Å; T610-F628 HydrophobicContact CG2-CD1 4.31Å; T610-V629 WeakPolarHBondContact CA-O 3.03Å; T610-H630 WeakPolarHBondContact CG2-ND1 3.39Å; T610-H630 PolarHBondContact OG1-ND1 2.9Å
611V92.2Very high89.4Confident0 Ų047.9 Ų47.90%024%0.242CC..EExtended strand (participates in β ladder)trans-105.9124.9171.5-169.80000107.8L574 T578 I586 M595 F609 I613 V629 V631L574-V611 HydrophobicContact CD2-CG1 3.58Å; T578-V611 HydrophobicContact CG2-CG1 4.14Å; I586-V611 HydrophobicContact CD1-CB 4.22Å; I586-V611 HydrophobicContact CD1-CG1 3.64Å; I586-V611 HydrophobicContact CD1-CG2 3.46Å; I586-V611 VanDerWaalsContact CD1-CG2 3.46Å; M595-V611 HydrophobicContact CE-CG2 4.3Å; M595-V611 HydrophobicContact SD-CB 3.98Å; M595-V611 HydrophobicContact SD-CG1 3.82Å; M595-V611 HydrophobicContact SD-CG2 3.79Å; F609-V611 HydrophobicContact CD2-CG2 3.62Å; F609-V611 HydrophobicContact CE2-CG2 3.58Å; V611-I613 HydrophobicContact CG1-CG1 4.03Å; V611-V629 HydrophobicContact CB-CB 4.44Å; V611-V629 PolarHBondContact N-O 3.48Å; V611-V629 PolarHBondContact O-N 3.41Å; V611-V631 HydrophobicContact CG2-CG2 4.47Å
612T92.1Very high89.3Confident10 Ų1049.4 Ų49.46%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-93.5104.8170.4-53.70000107.3D575 T578 R626 F628D575-T612 HydrophobicContact CB-CG2 3.68Å; D575-T612 VanDerWaalsContact CB-O 3.31Å; D575-T612 WeakPolarHBondContact CB-O 3.4Å; D575-T612 PolarHBondContact N-O 3.02Å; T578-T612 PolarHBondContact OG1-O 2.79Å; T612-R626 HydrophobicContact CG2-CB 4.29Å; T612-R626 HydrophobicContact CG2-CG 4.17Å; T612-F628 HydrophobicContact CG2-CD1 4.4Å; T612-F628 HydrophobicContact CG2-CE1 4.07Å
613I92.6Very high89.2Confident0 Ų051.2 Ų51.20%026%0.259CS..EExtended strand (participates in β ladder)trans-88.9129.3173.5-62.3170000107.3I557 F572 S573 L574 I588 M595 V611 I627 V629I557-I613 HydrophobicContact CD1-CD1 4.03Å; I557-I613 HydrophobicContact CG1-CD1 3.71Å; F572-I613 HydrophobicContact CD1-CG2 4.27Å; S573-I613 WeakPolarHBondContact O-CA 3.25Å; L574-I613 HydrophobicContact CD2-CG1 4.47Å; I588-I613 HydrophobicContact CD1-CB 4.39Å; I588-I613 HydrophobicContact CD1-CD1 3.76Å; I588-I613 HydrophobicContact CD1-CG1 3.93Å; I588-I613 HydrophobicContact CD1-CG2 3.56Å; M595-I613 HydrophobicContact CB-CD1 4.37Å; M595-I613 HydrophobicContact CE-CD1 4.39Å; M595-I613 HydrophobicContact SD-CD1 4.2Å; V611-I613 HydrophobicContact CG1-CG1 4.03Å; I613-I627 HydrophobicContact CB-CB 4.3Å; I613-I627 HydrophobicContact CB-CD1 4.35Å; I613-I627 HydrophobicContact CG2-CD1 4.13Å; I613-I627 PolarHBondContact N-O 2.89Å; I613-I627 WeakPolarHBondContact O-CD1 3.43Å; I613-I627 PolarHBondContact O-N 2.95Å; I613-V629 HydrophobicContact CD1-CG2 3.63Å; I613-V629 HydrophobicContact CG1-CG2 4.4Å
614I92.4Very high89.1Confident32 Ų3254.4 Ų54.416%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-89.8117.2163.9-60175.4000106.6F572 S573 D575 T624F572-I614 WeakPolarHBondContact CA-O 3.44Å; S573-I614 PolarHBondContact N-O 3.05Å; S573-I614 PolarHBondContact O-N 2.83Å; D575-I614 HydrophobicContact CB-CD1 3.98Å; D575-I614 HydrophobicContact CB-CG1 3.88Å; I614-T624 HydrophobicContact CG2-CG2 3.89Å
615C92.8Very high89.2Confident0 Ų053.1 Ų53.10%028%0.276CS..EExtended strand (participates in β ladder)trans-93.7126.4156.2-178.10000107.1F572 T624 V625 I627F572-C615 HydrophobicContact CD1-CB 3.82Å; F572-C615 HydrophobicContact CE1-CB 3.71Å; F572-C615 WeakPolarHBondContact CE1-SG 3.3Å; C615-T624 WeakPolarHBondContact O-CA 3.42Å; C615-V625 HydrophobicContact CB-CG1 3.71Å; C615-V625 PolarHBondContact N-O 3.16Å; C615-V625 PolarHBondContact O-N 2.89Å; C615-I627 HydrophobicContact CB-CD1 3.54Å
616S92.1Very high89.4Confident6 Ų650.1 Ų50.14%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-137.2149.4-176.8-179.70000109.2L570 R571 R623L570-S616 CarbonylContact C-O 3.56Å; L570-S616 WeakPolarHBondContact CA-O 3.23Å; R571-S616 WeakPolarHBondContact CG-O 3.31Å; R571-S616 PolarHBondContact N-O 2.73Å; R571-S616 PolarHBondContact NE-OG 2.93Å; R571-S616 PolarHBondContact NH2-OG 2.88Å; R571-S616 PolarHBondContact O-N 2.92Å; S616-R623 VanDerWaalsContact CA-O 3.28Å; S616-R623 WeakPolarHBondContact CA-O 3.42Å; S616-R623 WeakPolarHBondContact CB-O 3.41Å; S616-R623 PolarHBondContact OG-O 2.65Å
617D92.6Very high89.5Confident0 Ų048.9 Ų48.90%025%0.254CS..  trans-77.2-174167.360.872.5000113.4N524 N567 K569 R571 G619 A622 R623N524-D617 PolarHBondContact ND2-OD1 2.75Å; N524-D617 PolarHBondContact ND2-OD2 3.38Å; N567-D617 WeakPolarHBondContact O-CB 3.5Å; K569-D617 CarbonylContact O-C 3.27Å; K569-D617 VanDerWaalsContact O-CA 3.25Å; K569-D617 WeakPolarHBondContact O-CA 3.38Å; R571-D617 PolarHBondContact NE-O 3.43Å; R571-D617 PolarHBondContact NH2-O 3.07Å; D617-G619 WeakPolarHBondContact OD1-CA 3.17Å; D617-G619 PolarHBondContact OD1-N 2.55Å; D617-A622 WeakPolarHBondContact OD1-CA 3.14Å; D617-A622 VanDerWaalsContact OD1-CB 3.3Å; D617-A622 WeakPolarHBondContact OD1-CB 3.34Å; D617-R623 WeakPolarHBondContact OD2-CA 3.25Å; D617-R623 WeakPolarHBondContact OD2-CB 3.22Å; D617-R623 PolarHBondContact OD2-N 2.88Å
618Y87.4Confident89.7Confident85 Ų8549.4 Ų49.433%0.33325%0.253SS..  trans-108.815.2170.6-79.4-86.5000114.2Q566 K569 R571Q566-Y618 CarbonylContact O-C 3.53Å; Q566-Y618 WeakPolarHBondContact O-CA 3.44Å; Q566-Y618 WeakPolarHBondContact O-CB 3.38Å; Q566-Y618 PolarHBondContact O-N 3Å; K569-Y618 HydrophobicContact CB-CD2 4.01Å; K569-Y618 HydrophobicContact CD-CD2 3.55Å; K569-Y618 HydrophobicContact CD-CE2 3.81Å; K569-Y618 HydrophobicContact CD-CG 4.37Å; K569-Y618 HydrophobicContact CG-CD2 3.69Å; K569-Y618 HydrophobicContact CG-CE2 4.02Å; K569-Y618 VanDerWaalsContact O-CD2 3.28Å; K569-Y618 WeakPolarHBondContact O-CD2 3.46Å; K569-Y618 PolarHBondContact O-N 3.06Å; R571-Y618 HydrophobicContact CB-CD2 4.38Å; R571-Y618 HydrophobicContact CB-CE2 3.61Å; R571-Y618 HydrophobicContact CG-CD2 4.18Å; R571-Y618 HydrophobicContact CG-CE2 3.86Å
619G84.6Confident89.7Confident11 Ų1143.1 Ų43.111%0.11322%0.223CC..SBendtrans-68.1166.2177.400000114.3N567 D617 A622N567-G619 WeakPolarHBondContact OD1-CA 3.06Å; D617-G619 WeakPolarHBondContact OD1-CA 3.17Å; D617-G619 PolarHBondContact OD1-N 2.55Å; G619-A622 WeakPolarHBondContact O-CB 3.46Å; G619-A622 PolarHBondContact O-N 2.74Å
620E77.3Confident89.8Confident202 Ų20245.8 Ų45.894%0.94424%0.236SC*.THydrogen-bonded Turntrans-69.4-37.4-172.4-172.6170.5-154.800112.9
621S82.9Confident89.8Confident104 Ų10443.2 Ų43.273%0.72722%0.22SC*.THydrogen-bonded Turntrans-107.160.8168.4-64.90000109.8R623S621-R623 PolarHBondContact O-N 3Å
622A84.4Confident89.8Confident37 Ų3748.1 Ų48.131%0.30624%0.242SC..  trans-51124.2-167.700000113.8R571 D617 G619R571-A622 VanDerWaalsContact NH2-CB 3.3Å; D617-A622 WeakPolarHBondContact OD1-CA 3.14Å; D617-A622 VanDerWaalsContact OD1-CB 3.3Å; D617-A622 WeakPolarHBondContact OD1-CB 3.34Å; G619-A622 WeakPolarHBondContact O-CB 3.46Å; G619-A622 PolarHBondContact O-N 2.74Å
623R87.8Confident89.8Confident73 Ų7347.9 Ų47.928%0.27524%0.24SC..  trans-83.9160.2176.1-64.717485160-22.2109.6N524 D525 H526 D527 S616 D617 S621N524-R623 WeakPolarHBondContact O-CD 3.11Å; N524-R623 PolarHBondContact O-NH1 3.44Å; N524-R623 WeakPolarHBondContact OD1-CD 3.26Å; N524-R623 WeakPolarHBondContact OD1-CG 3.34Å; D525-R623 VanDerWaalsContact CA-NH1 3.29Å; D525-R623 VanDerWaalsContact O-CZ 3.22Å; D525-R623 PolarHBondContact O-NH1 3.3Å; D525-R623 PolarHBondContact O-NH2 3.4Å; H526-R623 VanDerWaalsContact O-CD 3.27Å; H526-R623 WeakPolarHBondContact O-CD 3.21Å; H526-R623 PolarHBondContact O-NE 2.95Å; D527-R623 VanDerWaalsContact CG-NE 3.34Å; D527-R623 VanDerWaalsContact CG-NH2 3.25Å; D527-R623 IonicContact OD1-CZ 3.45Å; D527-R623 IonicContact OD1-NE 3.86Å; D527-R623 PolarHBondContact OD1-NE 2.99Å; D527-R623 IonicContact OD1-NH2 2.74Å; D527-R623 IonicContact OD2-CZ 2.74Å; D527-R623 IonicContact OD2-NE 2.7Å; D527-R623 IonicContact OD2-NH2 3.9Å; D527-R623 PolarHBondContact OD2-NH2 2.97Å; S616-R623 VanDerWaalsContact CA-O 3.28Å; S616-R623 WeakPolarHBondContact CA-O 3.42Å; S616-R623 WeakPolarHBondContact CB-O 3.41Å; S616-R623 PolarHBondContact OG-O 2.65Å; D617-R623 WeakPolarHBondContact OD2-CA 3.25Å; D617-R623 WeakPolarHBondContact OD2-CB 3.22Å; D617-R623 PolarHBondContact OD2-N 2.88Å; S621-R623 PolarHBondContact O-N 3Å
624T90.6Very high89.7Confident81 Ų8150.8 Ų50.850%0.49726%0.255SS..EExtended strand (participates in β ladder)trans-149.5121.3-167.258.90000110.5I614 C615I614-T624 HydrophobicContact CG2-CG2 3.89Å; C615-T624 WeakPolarHBondContact O-CA 3.42Å
625V90.6Very high89.6Confident19 Ų1950.8 Ų50.812%0.11526%0.256CS..EExtended strand (participates in β ladder)trans-99.6133.5164.468.70000108.9P528 C530 C615 I627P528-V625 HydrophobicContact CB-CG1 4.01Å; P528-V625 VanDerWaalsContact O-CG1 3.26Å; P528-V625 WeakPolarHBondContact O-CG1 3.29Å; C530-V625 VanDerWaalsContact SG-CG1 3.56Å; C615-V625 HydrophobicContact CB-CG1 3.71Å; C615-V625 PolarHBondContact N-O 3.16Å; C615-V625 PolarHBondContact O-N 2.89Å; V625-I627 HydrophobicContact CG1-CD1 3.95Å; V625-I627 HydrophobicContact CG1-CG1 4.5Å
626R91.4Very high89.5Confident101 Ų10153 Ų5338%0.38126%0.264SS..EExtended strand (participates in β ladder)trans-91.2115.6172-77.1179.4158.5-171.7-5.3109.1D575 E577 T612 F628D575-R626 IonicContact OD1-NH2 2.75Å; D575-R626 PolarHBondContact OD1-NH2 3.39Å; D575-R626 IonicContact OD2-CZ 2.66Å; D575-R626 IonicContact OD2-NE 2.9Å; D575-R626 PolarHBondContact OD2-NE 2.66Å; D575-R626 IonicContact OD2-NH2 3.73Å; D575-R626 PolarHBondContact OD2-NH2 3.35Å; E577-R626 VanDerWaalsContact CD-NH1 3.3Å; E577-R626 IonicContact OE1-CZ 3.33Å; E577-R626 IonicContact OE1-NH1 3.82Å; E577-R626 PolarHBondContact OE1-NH1 3.14Å; E577-R626 IonicContact OE1-NH2 2.95Å; E577-R626 PolarHBondContact OE1-NH2 2.88Å; E577-R626 IonicContact OE2-CZ 3.82Å; E577-R626 IonicContact OE2-NH1 2.77Å; E577-R626 PolarHBondContact OE2-NH1 2.92Å; E577-R626 IonicContact OE2-NH2 2.65Å; T612-R626 HydrophobicContact CG2-CB 4.29Å; T612-R626 HydrophobicContact CG2-CG 4.17Å; R626-F628 HydrophobicContact CB-CE2 4.31Å; R626-F628 HydrophobicContact CB-CZ 4.28Å
627I91.7Very high89.6Confident0 Ų052.9 Ų52.90%026%0.263CS..EExtended strand (participates in β ladder)trans-98.4125171.8-51.594.9000108.5C530 N533 Y535 I557 I613 C615 V625 V629C530-I627 HydrophobicContact CB-CG1 4.28Å; C530-I627 WeakPolarHBondContact SG-CG1 3.12Å; N533-I627 WeakPolarHBondContact O-CA 3.44Å; Y535-I627 HydrophobicContact CD2-CG2 3.46Å; Y535-I627 VanDerWaalsContact CD2-CG2 3.46Å; Y535-I627 HydrophobicContact CE2-CG2 3.65Å; I557-I627 HydrophobicContact CD1-CG2 4.29Å; I557-I627 HydrophobicContact CG2-CD1 4.16Å; I557-I627 HydrophobicContact CG2-CG1 4.09Å; I613-I627 HydrophobicContact CB-CB 4.3Å; I613-I627 HydrophobicContact CB-CD1 4.35Å; I613-I627 HydrophobicContact CG2-CD1 4.13Å; I613-I627 PolarHBondContact N-O 2.89Å; I613-I627 WeakPolarHBondContact O-CD1 3.43Å; I613-I627 PolarHBondContact O-N 2.95Å; C615-I627 HydrophobicContact CB-CD1 3.54Å; V625-I627 HydrophobicContact CG1-CD1 3.95Å; V625-I627 HydrophobicContact CG1-CG1 4.5Å; I627-V629 HydrophobicContact CG2-CG2 4.26Å
628F92Very high89.5Confident74 Ų7455.4 Ų55.433%0.32528%0.277SS..EExtended strand (participates in β ladder)trans-95111.3172.7-58.4-82.2000109.3N533 V534 Y535 T610 T612 R626N533-F628 PolarHBondContact O-N 2.53Å; V534-F628 CarbonylContact C-O 3.18Å; V534-F628 VanDerWaalsContact CA-O 3.3Å; V534-F628 WeakPolarHBondContact CA-O 3.26Å; V534-F628 HydrophobicContact CG2-CB 4.44Å; V534-F628 HydrophobicContact CG2-CD2 4.44Å; Y535-F628 PolarHBondContact N-O 3.28Å; T610-F628 HydrophobicContact CG2-CB 4.34Å; T610-F628 HydrophobicContact CG2-CD1 4.31Å; T612-F628 HydrophobicContact CG2-CD1 4.4Å; T612-F628 HydrophobicContact CG2-CE1 4.07Å; R626-F628 HydrophobicContact CB-CE2 4.31Å; R626-F628 HydrophobicContact CB-CZ 4.28Å
629V93.2Very high89.6Confident0 Ų053.3 Ų53.30%027%0.271CS..EExtended strand (participates in β ladder)trans-97.8103.4170.4-167.60000108.4Y535 V537 I555 I557 M595 T610 V611 I613 I627 V631Y535-V629 CarbonylContact O-C 3.59Å; Y535-V629 WeakPolarHBondContact O-CA 3.45Å; V537-V629 HydrophobicContact CB-CG1 4.49Å; V537-V629 HydrophobicContact CG2-CG1 3.77Å; I555-V629 HydrophobicContact CG2-CG1 4.23Å; I555-V629 HydrophobicContact CG2-CG2 4.49Å; I557-V629 HydrophobicContact CD1-CG2 4.02Å; M595-V629 HydrophobicContact CE-CB 3.85Å; M595-V629 HydrophobicContact CE-CG1 3.63Å; M595-V629 HydrophobicContact CE-CG2 4.05Å; T610-V629 WeakPolarHBondContact CA-O 3.03Å; V611-V629 HydrophobicContact CB-CB 4.44Å; V611-V629 PolarHBondContact N-O 3.48Å; V611-V629 PolarHBondContact O-N 3.41Å; I613-V629 HydrophobicContact CD1-CG2 3.63Å; I613-V629 HydrophobicContact CG1-CG2 4.4Å; I627-V629 HydrophobicContact CG2-CG2 4.26Å; V629-V631 HydrophobicContact CG1-CG2 3.83Å; V629-V631 PolarHBondContact O-N 3.26Å
630H93.3Very high90Very high70 Ų7055.3 Ų55.332%0.32428%0.284SS..EExtended strand (participates in β ladder)trans-80.2103.8170.2-57.6-53.3000108V534 Y535 V537 T610V534-H630 VanDerWaalsContact CG1-CD2 3.41Å; V534-H630 WeakPolarHBondContact CG1-CD2 3.34Å; Y535-H630 PolarHBondContact O-N 3.3Å; V537-H630 PolarHBondContact N-O 2.75Å; T610-H630 WeakPolarHBondContact CG2-ND1 3.39Å; T610-H630 PolarHBondContact OG1-ND1 2.9Å
631V92.1Very high90.7Very high2 Ų245.7 Ų45.71%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-95.1115.2177.8-174.50000108.6V537 I539 I554 M595 E608 F609 V611 V629V537-V631 WeakPolarHBondContact O-CA 3.4Å; I539-V631 HydrophobicContact CG2-CG1 3.45Å; I539-V631 VanDerWaalsContact CG2-CG1 3.45Å; I554-V631 HydrophobicContact CG2-CG2 4.27Å; M595-V631 HydrophobicContact CE-CG2 4.17Å; E608-V631 WeakPolarHBondContact CA-O 3.17Å; F609-V631 HydrophobicContact CD1-CB 4.08Å; F609-V631 HydrophobicContact CD1-CG1 4.3Å; F609-V631 HydrophobicContact CD2-CB 4.12Å; F609-V631 HydrophobicContact CD2-CG2 4.32Å; F609-V631 HydrophobicContact CE1-CB 3.73Å; F609-V631 HydrophobicContact CE1-CG1 3.54Å; F609-V631 HydrophobicContact CE2-CB 3.78Å; F609-V631 HydrophobicContact CE2-CG1 4.21Å; F609-V631 HydrophobicContact CE2-CG2 3.78Å; F609-V631 HydrophobicContact CG-CB 4.27Å; F609-V631 HydrophobicContact CZ-CB 3.59Å; F609-V631 HydrophobicContact CZ-CG1 3.5Å; F609-V631 HydrophobicContact CZ-CG2 3.92Å; F609-V631 PolarHBondContact N-O 2.78Å; F609-V631 PolarHBondContact O-N 2.78Å; V611-V631 HydrophobicContact CG2-CG2 4.47Å; V629-V631 HydrophobicContact CG1-CG2 3.83Å; V629-V631 PolarHBondContact O-N 3.26Å
632K92.3Very high91.2Very high104 Ų10443.6 Ų43.645%0.45222%0.224SC..EExtended strand (participates in β ladder)trans-100.5119.9171.9175.8-176.1162.5-159.80108.4V537 E538 I539V537-K632 PolarHBondContact O-N 3.35Å; E538-K632 WeakPolarHBondContact CA-O 3.45Å; E538-K632 HydrophobicContact CG-CD 4.31Å; E538-K632 WeakPolarHBondContact OE1-CD 3.19Å; E538-K632 WeakPolarHBondContact OE1-CE 3.26Å; E538-K632 IonicContact OE1-NZ 2.67Å; E538-K632 PolarHBondContact OE1-NZ 3.42Å; I539-K632 PolarHBondContact N-O 3.47Å
633V91.2Very high91.5Very high5 Ų542.9 Ų42.93%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-80.2125.1178.6-172.90000108.9I539 E541 L601 R603 L606 N607 F609I539-V633 CarbonylContact O-C 3.53Å; I539-V633 WeakPolarHBondContact O-CA 3.43Å; E541-V633 HydrophobicContact CB-CG1 3.97Å; L601-V633 HydrophobicContact CD1-CG2 3.81Å; L601-V633 HydrophobicContact CD2-CG1 4.33Å; L601-V633 HydrophobicContact CD2-CG2 4.32Å; L601-V633 HydrophobicContact CG-CG1 4.22Å; L601-V633 HydrophobicContact CG-CG2 4.26Å; R603-V633 HydrophobicContact CB-CB 4.37Å; R603-V633 HydrophobicContact CB-CG1 3.79Å; R603-V633 HydrophobicContact CG-CB 3.97Å; R603-V633 HydrophobicContact CG-CG1 3.9Å; L606-V633 WeakPolarHBondContact O-CG2 3.33Å; N607-V633 PolarHBondContact O-N 3.49Å; F609-V633 HydrophobicContact CD1-CG2 4.35Å; F609-V633 HydrophobicContact CE1-CG2 3.96Å
634L90.5Very high91.5Very high60 Ų6042 Ų4231%0.31422%0.218SC..EExtended strand (participates in β ladder)trans-89.1129.4176.4-66.4-178.7000109.9E538 I539 S540 E541E538-L634 HydrophobicContact CB-CD1 3.82Å; E538-L634 HydrophobicContact CB-CD2 4.05Å; E538-L634 HydrophobicContact CB-CG 3.88Å; E538-L634 HydrophobicContact CG-CD2 4.48Å; I539-L634 PolarHBondContact O-N 3.24Å; S540-L634 WeakPolarHBondContact CA-O 3.42Å; E541-L634 PolarHBondContact N-O 3.39Å
635D91.1Very high91.4Very high33 Ų3343.4 Ų43.418%0.17622%0.219CC..PPolyproline II helixtrans-61.6126178.9-167.882.6000112.2E541 R603 D671 L672 N675E541-D635 WeakPolarHBondContact OE1-CA 3.24Å; R603-D635 IonicContact CZ-OD1 2.73Å; R603-D635 VanDerWaalsContact CZ-OD1 3.22Å; R603-D635 IonicContact NE-OD1 3.28Å; R603-D635 PolarHBondContact NE-OD1 3.07Å; R603-D635 IonicContact NH2-OD1 2.86Å; R603-D635 PolarHBondContact NH2-OD1 2.76Å; D635-D671 VanDerWaalsContact OD1-CA 3.28Å; D635-D671 WeakPolarHBondContact OD1-CA 3.1Å; D635-L672 HydrophobicContact CB-CB 3.87Å; D635-L672 WeakPolarHBondContact OD1-CB 3.15Å; D635-L672 PolarHBondContact OD1-N 2.69Å; D635-L672 PolarHBondContact OD2-N 2.65Å; D635-N675 VanDerWaalsContact OD2-CB 3.25Å; D635-N675 WeakPolarHBondContact OD2-CB 3.27Å; D635-N675 PolarHBondContact OD2-ND2 3.16Å
636Y91.5Very high91.3Very high46 Ų4647.9 Ų47.918%0.1825%0.248CC..  trans-111.4146.4166.7-168.9-95.2000109.3E541 S543 N544 P545 D638 P822E541-Y636 PolarHBondContact OE1-N 3.44Å; S543-Y636 WeakPolarHBondContact O-CE1 3.48Å; N544-Y636 HydrophobicContact CB-CD2 3.52Å; N544-Y636 HydrophobicContact CB-CE2 3.95Å; N544-Y636 HydrophobicContact CB-CG 3.86Å; P545-Y636 WeakPolarHBondContact CD-OH 3.32Å; Y636-D638 HydrophobicContact CD1-CB 4.41Å; Y636-D638 PolarHBondContact O-N 3.42Å; Y636-P822 VanDerWaalsContact OH-CD 3.27Å; Y636-P822 WeakPolarHBondContact OH-CD 3.38Å
637N92.3Very high91.1Very high4 Ų449.9 Ų49.92%0.02126%0.257CS..SBendtrans-76.994.9-175.6-157.5110.9000110.7D671 N675 D818 G820 P822 L824N637-D671 VanDerWaalsContact CA-OD2 3.24Å; N637-D671 WeakPolarHBondContact CA-OD2 3.24Å; N637-N675 HydrophobicContact CB-CB 4.16Å; N637-N675 WeakPolarHBondContact OD1-CA 3.43Å; N637-N675 WeakPolarHBondContact OD1-CB 3.4Å; N637-N675 VanDerWaalsContact OD1-CG 3.3Å; N637-N675 PolarHBondContact OD1-O 2.78Å; N637-N675 PolarHBondContact OD1-OD1 3.08Å; N637-D818 PolarHBondContact ND2-OD2 2.87Å; N637-D818 PolarHBondContact OD1-OD2 2.79Å; N637-G820 VanDerWaalsContact OD1-CA 3.23Å; N637-G820 WeakPolarHBondContact OD1-CA 2.98Å; N637-P822 PolarHBondContact ND2-O 3.11Å; N637-P822 VanDerWaalsContact ND2-O 3.15Å; N637-L824 WeakPolarHBondContact ND2-CD1 3.44Å; N637-L824 VanDerWaalsContact ND2-CG 3.31Å; N637-L824 WeakPolarHBondContact ND2-CG 3.33Å
638D91.1Very high91.1Very high53 Ų5350.6 Ų50.628%0.28326%0.26SS..  trans-130.5-34.8-161.4144.5-66.7000112.4S543 Y636 D671S543-D638 WeakPolarHBondContact CB-OD2 2.9Å; S543-D638 PolarHBondContact OG-OD2 2.7Å; Y636-D638 HydrophobicContact CD1-CB 4.41Å; Y636-D638 PolarHBondContact O-N 3.42Å; D638-D671 PolarHBondContact N-OD2 2.82Å
639N90.8Very high91Very high41 Ų4151.4 Ų51.422%0.21927%0.265CS..SBendtrans-90125.9173-61.5-93.7000110.3E604 K670 D671E604-N639 VanDerWaalsContact CD-ND2 3.33Å; E604-N639 PolarHBondContact OE2-ND2 2.94Å; N639-K670 HydrophobicContact CB-CB 4.01Å; N639-D671 WeakPolarHBondContact CB-OD1 3.4Å; N639-D671 PolarHBondContact N-OD1 2.97Å; N639-D671 PolarHBondContact N-OD2 3.13Å; N639-D671 PolarHBondContact ND2-OD1 3.33Å
640S91.4Very high90.9Very high53 Ų5352.9 Ų52.937%0.37127%0.271SS..PPolyproline II helixtrans-71.4147.1167.8-65.20000111.2S642S640-S642 PolarHBondContact O-N 3.26Å
641P93.1Very high90.8Very high0 Ų053.4 Ų53.40%028%0.279CS..PPolyproline II helixtrans-50.4118.6175.9-27.630.6000113.4V667 D669 L678 A816 E826P641-V667 HydrophobicContact CB-CG1 4.25Å; P641-D669 WeakPolarHBondContact CA-OD2 3.38Å; P641-D669 WeakPolarHBondContact CD-OD2 3.28Å; P641-D669 VanDerWaalsContact CG-OD2 3.23Å; P641-D669 WeakPolarHBondContact CG-OD2 3.2Å; P641-L678 HydrophobicContact CB-CD1 4.43Å; P641-L678 HydrophobicContact CB-CD2 3.7Å; P641-L678 HydrophobicContact CG-CD2 3.55Å; P641-A816 HydrophobicContact CB-CB 3.7Å; P641-A816 HydrophobicContact CG-CB 4.41Å; P641-E826 WeakPolarHBondContact O-CB 3.35Å
642S92.1Very high90.7Very high60 Ų6053.4 Ų53.442%0.4228%0.279SS..EExtended strand (participates in β ladder)trans-98.9130.5-172.2-179.10000113S640 V667 T668S640-S642 PolarHBondContact O-N 3.26Å; S642-V667 CarbonylContact O-C 3.56Å; S642-V667 WeakPolarHBondContact O-CA 3.38Å; S642-V667 WeakPolarHBondContact O-CG1 3.05Å; S642-T668 WeakPolarHBondContact CA-O 3.25Å; S642-T668 WeakPolarHBondContact CB-O 3.4Å; S642-T668 PolarHBondContact N-O 2.9Å; S642-T668 PolarHBondContact O-N 2.99Å; S642-T668 PolarHBondContact O-OG1 3.17Å
643Y92.2Very high90.5Very high22 Ų2254.1 Ų54.19%0.08628%0.282CS..EExtended strand (participates in β ladder)trans-88.1135.5174.4-69-85.4000112Q645 Y648 F665 V667 V814 H815 A816 E826 V828Y643-Q645 WeakPolarHBondContact CB-O 3.37Å; Y643-Q645 PolarHBondContact O-N 2.93Å; Y643-Y648 HydrophobicContact CD1-CE2 4.08Å; Y643-F665 HydrophobicContact CD1-CD2 4.28Å; Y643-F665 HydrophobicContact CD1-CE2 4.37Å; Y643-F665 HydrophobicContact CE1-CD2 4.39Å; Y643-F665 HydrophobicContact CE1-CE2 4.03Å; Y643-V667 HydrophobicContact CD1-CB 4.47Å; Y643-V667 HydrophobicContact CD1-CG1 4.29Å; Y643-V667 HydrophobicContact CD1-CG2 3.58Å; Y643-V667 HydrophobicContact CE1-CG1 4.3Å; Y643-V667 HydrophobicContact CE1-CG2 3.49Å; Y643-V667 VanDerWaalsContact CE1-CG2 3.49Å; Y643-V814 PolarHBondContact OH-O 2.88Å; Y643-H815 VanDerWaalsContact OH-C 3.22Å; Y643-A816 HydrophobicContact CE1-CB 4.42Å; Y643-A816 HydrophobicContact CE2-CB 4.24Å; Y643-A816 WeakPolarHBondContact OH-CB 3.48Å; Y643-A816 PolarHBondContact OH-N 3.21Å; Y643-E826 HydrophobicContact CD2-CB 4.47Å; Y643-E826 HydrophobicContact CD2-CG 4.01Å; Y643-E826 HydrophobicContact CE2-CB 4.12Å; Y643-E826 HydrophobicContact CE2-CG 4.02Å; Y643-V828 HydrophobicContact CD1-CB 3.8Å; Y643-V828 HydrophobicContact CD1-CG1 3.49Å; Y643-V828 VanDerWaalsContact CD1-CG1 3.49Å; Y643-V828 HydrophobicContact CD2-CB 3.78Å; Y643-V828 HydrophobicContact CD2-CG1 4.32Å; Y643-V828 HydrophobicContact CE1-CB 3.87Å; Y643-V828 HydrophobicContact CE1-CG1 3.29Å; Y643-V828 HydrophobicContact CE2-CB 3.83Å; Y643-V828 HydrophobicContact CE2-CG1 4.14Å; Y643-V828 HydrophobicContact CG-CB 3.74Å; Y643-V828 HydrophobicContact CG-CG1 4.01Å; Y643-V828 HydrophobicContact CG-CG2 4.32Å
644S88.1Confident90.3Very high53 Ų5354 Ų5437%0.37128%0.281SS..SBendtrans-59.7-13.1178.769.30000115.7Y648 Y666S644-Y648 PolarHBondContact N-OH 3.04Å; S644-Y648 VanDerWaalsContact N-OH 3.08Å; S644-Y648 PolarHBondContact OG-OH 3.33Å; S644-Y666 PolarHBondContact N-O 3.33Å; S644-Y666 PolarHBondContact OG-O 2.7Å
645Q88.3Confident90.1Very high112 Ų11254.8 Ų54.852%0.52329%0.286SS..SBendtrans-143.3147.5168.1-63.9-69.5-72.800109.9Y643 Y647 Y648Y643-Q645 WeakPolarHBondContact CB-O 3.37Å; Y643-Q645 PolarHBondContact O-N 2.93Å; Q645-Y647 WeakPolarHBondContact CB-O 3.31Å; Q645-Y647 PolarHBondContact O-N 2.84Å; Q645-Y648 HydrophobicContact CB-CD1 4.08Å; Q645-Y648 HydrophobicContact CB-CE1 3.59Å; Q645-Y648 HydrophobicContact CG-CD1 4.29Å; Q645-Y648 HydrophobicContact CG-CE1 3.77Å; Q645-Y648 PolarHBondContact N-OH 2.77Å; Q645-Y648 VanDerWaalsContact N-OH 3.09Å
646P86.9Confident90Very high112 Ų11253.5 Ų53.573%0.72728%0.279SS*.SBendtrans-71.4-12.8179.230.2-36.9000114.1
647Y89Confident89.9Confident144 Ų14454.1 Ų54.157%0.56529%0.294SS*.SBendtrans-157.4155.416664.5-87000108.5Q645Q645-Y647 WeakPolarHBondContact CB-O 3.31Å; Q645-Y647 PolarHBondContact O-N 2.84Å
648Y90.1Very high89.7Confident15 Ų1559.7 Ų59.76%0.05932%0.322CS..EExtended strand (participates in β ladder)trans-114.2141.1174-62.1-81000110Y643 S644 Q645 F650 F665 Y666 V828 Q829 I830 R831Y643-Y648 HydrophobicContact CD1-CE2 4.08Å; S644-Y648 PolarHBondContact N-OH 3.04Å; S644-Y648 VanDerWaalsContact N-OH 3.08Å; S644-Y648 PolarHBondContact OG-OH 3.33Å; Q645-Y648 HydrophobicContact CB-CD1 4.08Å; Q645-Y648 HydrophobicContact CB-CE1 3.59Å; Q645-Y648 HydrophobicContact CG-CD1 4.29Å; Q645-Y648 HydrophobicContact CG-CE1 3.77Å; Q645-Y648 PolarHBondContact N-OH 2.77Å; Q645-Y648 VanDerWaalsContact N-OH 3.09Å; Y648-F650 HydrophobicContact CD1-CZ 4.41Å; Y648-F650 HydrophobicContact CG-CZ 4.37Å; Y648-F665 HydrophobicContact CD1-CB 3.77Å; Y648-F665 HydrophobicContact CD2-CB 4.12Å; Y648-F665 HydrophobicContact CD2-CG 4.29Å; Y648-F665 HydrophobicContact CE1-CB 3.39Å; Y648-F665 HydrophobicContact CE1-CG 4.48Å; Y648-F665 HydrophobicContact CE2-CB 3.78Å; Y648-F665 HydrophobicContact CE2-CD2 4.03Å; Y648-F665 HydrophobicContact CE2-CG 4.05Å; Y648-F665 HydrophobicContact CG-CB 4.12Å; Y648-F665 VanDerWaalsContact CZ-CB 3.4Å; Y648-Y666 PolarHBondContact OH-O 3.12Å; Y648-V828 HydrophobicContact CD2-CB 4.49Å; Y648-V828 HydrophobicContact CD2-CG1 3.99Å; Y648-V828 HydrophobicContact CD2-CG2 3.7Å; Y648-V828 HydrophobicContact CE2-CB 4.38Å; Y648-V828 HydrophobicContact CE2-CG1 3.97Å; Y648-V828 HydrophobicContact CE2-CG2 3.76Å; Y648-Q829 PolarHBondContact N-O 3.36Å; Y648-I830 HydrophobicContact CD2-CG1 4.29Å; Y648-R831 WeakPolarHBondContact O-CB 3.23Å; Y648-R831 PolarHBondContact O-N 2.84Å
649Q90.5Very high89.5Confident91 Ų9159.4 Ų59.443%0.42533%0.332SS..EExtended strand (participates in β ladder)trans-122.1119.4170.4-173.3171.9-57.900109.9R831Q649-R831 WeakPolarHBondContact CA-O 3.12Å; Q649-R831 HydrophobicContact CB-CB 4.47Å; Q649-R831 HydrophobicContact CG-CB 4.41Å
650F92.1Very high89.6Confident30 Ų3060.8 Ų60.813%0.13234%0.337CS..EExtended strand (participates in β ladder)trans-117.1159.1176.2-58.6-48000110.2Y648 V662 F665 L760 I830 R831 I832 Q833Y648-F650 HydrophobicContact CD1-CZ 4.41Å; Y648-F650 HydrophobicContact CG-CZ 4.37Å; F650-V662 HydrophobicContact CB-CG1 4.08Å; F650-V662 HydrophobicContact CD2-CG1 4.49Å; F650-F665 HydrophobicContact CE2-CD1 4.34Å; F650-F665 HydrophobicContact CZ-CD1 4.33Å; F650-L760 HydrophobicContact CD2-CD2 4.13Å; F650-L760 HydrophobicContact CE2-CD2 4.28Å; F650-I830 HydrophobicContact CD2-CG2 3.52Å; F650-I830 HydrophobicContact CE2-CD1 4.47Å; F650-I830 HydrophobicContact CE2-CG2 3.68Å; F650-R831 PolarHBondContact N-O 2.75Å; F650-I832 WeakPolarHBondContact O-CA 3.48Å; F650-Q833 PolarHBondContact O-N 3.06Å
651T89.9Confident89.6Confident81 Ų8161.8 Ų61.850%0.49734%0.338SS..EExtended strand (participates in β ladder)trans-123127.1176.552.50000109.7Q833 L835T651-Q833 WeakPolarHBondContact CA-O 2.96Å; T651-Q833 HydrophobicContact CG2-CB 4.46Å; T651-L835 HydrophobicContact CG2-CD1 4.14Å; T651-L835 HydrophobicContact CG2-CG 4.4Å
652L89.8Confident89.6Confident2 Ų262.4 Ų62.41%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-124.3122.6177.8-177.659.2000108.2N656 V662 F734 I762 I766 I832 Q833 I834 L835L652-N656 HydrophobicContact CD1-CB 3.86Å; L652-N656 HydrophobicContact CG-CB 4.39Å; L652-V662 HydrophobicContact CB-CG1 4.48Å; L652-V662 HydrophobicContact CD2-CG2 4.16Å; L652-F734 HydrophobicContact CD2-CE1 4.36Å; L652-I762 HydrophobicContact CD2-CB 4.42Å; L652-I762 HydrophobicContact CD2-CD1 3.59Å; L652-I762 HydrophobicContact CD2-CG2 4.12Å; L652-I766 HydrophobicContact CD2-CD1 3.99Å; L652-I832 HydrophobicContact CB-CG2 3.89Å; L652-Q833 PolarHBondContact N-O 2.85Å; L652-I834 HydrophobicContact CB-CD1 4.31Å; L652-I834 CarbonylContact O-C 3.6Å; L652-I834 WeakPolarHBondContact O-CA 3.25Å; L652-L835 PolarHBondContact O-N 2.81Å
653K88.5Confident89.6Confident119 Ų11960 Ų6052%0.51733%0.327SS..EExtended strand (participates in β ladder)trans-68.9145.8167.5-71.8-166.9172.6-158.40109.4L835K653-L835 WeakPolarHBondContact CA-O 3.45Å; K653-L835 HydrophobicContact CG-CB 4.02Å
654E86.4Confident89.6Confident2 Ų261.2 Ų61.21%0.00934%0.336CS..SBendtrans-64.9171.216370.7-168.6115.200112.5N656 I766 R768 I834 L835 D836 H837E654-N656 PolarHBondContact O-N 3.48Å; E654-I766 HydrophobicContact CB-CG2 4.15Å; E654-I766 WeakPolarHBondContact CB-O 3.46Å; E654-R768 HydrophobicContact CB-CB 4.33Å; E654-R768 HydrophobicContact CG-CB 4.49Å; E654-R768 VanDerWaalsContact OE1-CB 3.26Å; E654-R768 WeakPolarHBondContact OE1-CB 3.34Å; E654-R768 WeakPolarHBondContact OE1-CD 3.38Å; E654-R768 IonicContact OE1-NE 2.73Å; E654-R768 PolarHBondContact OE1-NE 2.77Å; E654-R768 WeakPolarHBondContact OE2-CA 3.47Å; E654-R768 WeakPolarHBondContact OE2-CB 3.48Å; E654-R768 PolarHBondContact OE2-N 2.83Å; E654-I834 HydrophobicContact CB-CG2 4.42Å; E654-L835 PolarHBondContact N-O 3.24Å; E654-D836 VanDerWaalsContact OE1-CA 3.25Å; E654-D836 WeakPolarHBondContact OE1-CA 3.35Å; E654-H837 HydrophobicContact CG-CB 3.6Å; E654-H837 PolarHBondContact OE1-N 2.91Å
655N87.7Confident89.8Confident77 Ų7758.7 Ų58.741%0.41232%0.319SS..SBendtrans53.332.5-167.8-71.3-65.3000112.4I766 D839N655-I766 PolarHBondContact N-O 3.41Å; N655-D839 PolarHBondContact ND2-OD2 3.43Å
656N88.2Confident90Very high7 Ų758.1 Ų58.14%0.03731%0.312CS..PPolyproline II helixtrans-63.2156.9177.564-89.4000112.3L652 E654 I762 S764 I766L652-N656 HydrophobicContact CD1-CB 3.86Å; L652-N656 HydrophobicContact CG-CB 4.39Å; E654-N656 PolarHBondContact O-N 3.48Å; N656-I762 VanDerWaalsContact ND2-CG2 3.27Å; N656-I762 WeakPolarHBondContact ND2-CG2 3.44Å; N656-S764 PolarHBondContact ND2-O 2.78Å; N656-I766 PolarHBondContact OD1-N 3.3Å
657A89.1Confident90.2Very high59 Ų5952.8 Ų52.849%0.48828%0.278SS..PPolyproline II helixtrans-71.9147.617000000111.1Q660A657-Q660 HydrophobicContact CB-CB 4.26Å; A657-Q660 WeakPolarHBondContact O-CB 3.23Å; A657-Q660 PolarHBondContact O-N 3.03Å
658I88.1Confident90.4Very high120 Ų12047.6 Ų47.662%0.61526%0.261SS*.THydrogen-bonded Turntrans-69.1131.6166.5-65.4172.5000108.1Q660 E763 I765I658-Q660 VanDerWaalsContact C-N 3.34Å; I658-E763 WeakPolarHBondContact CG2-O 3.33Å; I658-I765 HydrophobicContact CD1-CG1 4.33Å; I658-I765 HydrophobicContact CG1-CG1 3.98Å
659G87.4Confident90.5Very high47 Ų4746.9 Ų46.949%0.48526%0.258SS..THydrogen-bonded Turntrans79.412.9-172.700000114.1Y761 I762G659-Y761 WeakPolarHBondContact O-CD1 3.25Å; G659-I762 WeakPolarHBondContact CA-O 3.49Å; G659-I762 PolarHBondContact N-O 2.78Å
660Q92.3Very high90.4Very high71 Ų7146.3 Ų46.333%0.33225%0.254SS..EExtended strand (participates in β ladder)trans-69134.9175.4-179.1169.1-24.300111.3A657 I658 V662 Y761 I762A657-Q660 HydrophobicContact CB-CB 4.26Å; A657-Q660 WeakPolarHBondContact O-CB 3.23Å; A657-Q660 PolarHBondContact O-N 3.03Å; I658-Q660 VanDerWaalsContact C-N 3.34Å; Q660-V662 PolarHBondContact O-N 3.42Å; Q660-Y761 WeakPolarHBondContact O-CA 3.24Å; Q660-I762 HydrophobicContact CB-CG2 4.16Å; Q660-I762 PolarHBondContact O-N 3.28Å; Q660-I762 VanDerWaalsContact O-N 3.1Å
661L92.7Very high90.4Very high73 Ų7344.9 Ų44.938%0.38225%0.248SC..EExtended strand (participates in β ladder)trans-68.8121.9169.5-176.370.3000109.4K759 Y761L661-K759 HydrophobicContact CD1-CB 3.72Å; L661-K759 HydrophobicContact CD1-CD 4.23Å; L661-K759 HydrophobicContact CD1-CG 3.93Å; L661-Y761 HydrophobicContact CB-CD1 4.25Å; L661-Y761 HydrophobicContact CB-CE1 4.01Å; L661-Y761 HydrophobicContact CD1-CD1 4.3Å; L661-Y761 HydrophobicContact CD1-CE1 3.92Å; L661-Y761 HydrophobicContact CD1-CE2 4.28Å
662V92.4Very high90.4Very high14 Ų1444.9 Ų44.99%0.08525%0.245CC..EExtended strand (participates in β ladder)trans-89-36177.4-174.40000110.7F650 L652 Q660 F734 L760 I762 I832F650-V662 HydrophobicContact CB-CG1 4.08Å; F650-V662 HydrophobicContact CD2-CG1 4.49Å; L652-V662 HydrophobicContact CB-CG1 4.48Å; L652-V662 HydrophobicContact CD2-CG2 4.16Å; Q660-V662 PolarHBondContact O-N 3.42Å; V662-F734 HydrophobicContact CG2-CD1 4.22Å; V662-F734 HydrophobicContact CG2-CE1 4.08Å; V662-L760 HydrophobicContact CB-CB 4.48Å; V662-L760 HydrophobicContact CB-CD2 4.22Å; V662-L760 HydrophobicContact CB-CG 4.19Å; V662-L760 WeakPolarHBondContact CB-O 3.13Å; V662-L760 HydrophobicContact CG1-CD2 4.21Å; V662-L760 PolarHBondContact N-O 2.79Å; V662-I762 HydrophobicContact CG2-CB 3.88Å; V662-I762 HydrophobicContact CG2-CG2 3.98Å; V662-I832 HydrophobicContact CG1-CD1 4.23Å; V662-I832 HydrophobicContact CG1-CG1 4.37Å; V662-I832 HydrophobicContact CG1-CG2 3.97Å
663G91.3Very high90.2Very high10 Ų1047.2 Ų47.210%0.10327%0.269CS..EExtended strand (participates in β ladder)trans178166.5177.500000112.9L760G663-L760 PolarHBondContact N-O 2.83Å; G663-L760 PolarHBondContact O-N 3.49Å
664T93.1Very high90.2Very high46 Ų4648.3 Ų48.328%0.28227%0.273SS..EExtended strand (participates in β ladder)trans-116.7143.3172.7-60.20000108.8E757 V758 K759T664-E757 HydrophobicContact CG2-CG 3.49Å; T664-E757 VanDerWaalsContact CG2-CG 3.49Å; T664-E757 VanDerWaalsContact CG2-OE1 3.25Å; T664-E757 WeakPolarHBondContact CG2-OE1 3.07Å; T664-V758 WeakPolarHBondContact CA-O 3.34Å; T664-K759 HydrophobicContact CG2-CG 4.31Å
665F92.7Very high90.4Very high1 Ų149.5 Ų49.50%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-141.7165.6167.458-84.6000110.8Y643 Y648 F650 V667 V758 L760 V814 I830Y643-F665 HydrophobicContact CD1-CD2 4.28Å; Y643-F665 HydrophobicContact CD1-CE2 4.37Å; Y643-F665 HydrophobicContact CE1-CD2 4.39Å; Y643-F665 HydrophobicContact CE1-CE2 4.03Å; Y648-F665 HydrophobicContact CD1-CB 3.77Å; Y648-F665 HydrophobicContact CD2-CB 4.12Å; Y648-F665 HydrophobicContact CD2-CG 4.29Å; Y648-F665 HydrophobicContact CE1-CB 3.39Å; Y648-F665 HydrophobicContact CE1-CG 4.48Å; Y648-F665 HydrophobicContact CE2-CB 3.78Å; Y648-F665 HydrophobicContact CE2-CD2 4.03Å; Y648-F665 HydrophobicContact CE2-CG 4.05Å; Y648-F665 HydrophobicContact CG-CB 4.12Å; Y648-F665 VanDerWaalsContact CZ-CB 3.4Å; F650-F665 HydrophobicContact CE2-CD1 4.34Å; F650-F665 HydrophobicContact CZ-CD1 4.33Å; F665-V667 HydrophobicContact CD2-CG2 4.09Å; F665-V667 HydrophobicContact CE2-CG2 4.02Å; F665-V758 HydrophobicContact CD1-CB 4.32Å; F665-V758 HydrophobicContact CD2-CB 3.91Å; F665-V758 HydrophobicContact CD2-CG2 4.18Å; F665-V758 HydrophobicContact CE1-CB 3.99Å; F665-V758 HydrophobicContact CE1-CG1 3.88Å; F665-V758 HydrophobicContact CE2-CB 3.55Å; F665-V758 HydrophobicContact CE2-CG1 3.81Å; F665-V758 HydrophobicContact CE2-CG2 3.8Å; F665-V758 HydrophobicContact CG-CB 4.28Å; F665-V758 HydrophobicContact CZ-CB 3.6Å; F665-V758 HydrophobicContact CZ-CG1 3.39Å; F665-V758 HydrophobicContact CZ-CG2 4.28Å; F665-V758 PolarHBondContact N-O 2.85Å; F665-V758 PolarHBondContact O-N 3.15Å; F665-L760 HydrophobicContact CE1-CB 4.45Å; F665-V814 HydrophobicContact CE2-CG1 4.31Å; F665-V814 HydrophobicContact CZ-CB 4.46Å; F665-V814 HydrophobicContact CZ-CG1 4.07Å; F665-V814 HydrophobicContact CZ-CG2 4.16Å; F665-I830 HydrophobicContact CD1-CD1 3.95Å; F665-I830 HydrophobicContact CE1-CD1 3.41Å; F665-I830 VanDerWaalsContact CE1-CD1 3.41Å; F665-I830 HydrophobicContact CZ-CD1 3.79Å
666Y92.1Very high90.5Very high100 Ų10045.9 Ų45.939%0.39226%0.26SS..EExtended strand (participates in β ladder)trans-116143.7178.1-55.1-85.2000110.8S644 Y648 L741 Y756 E757S644-Y666 PolarHBondContact N-O 3.33Å; S644-Y666 PolarHBondContact OG-O 2.7Å; Y648-Y666 PolarHBondContact OH-O 3.12Å; Y666-L741 HydrophobicContact CD1-CD1 4Å; Y666-L741 HydrophobicContact CE1-CD1 4.04Å; Y666-Y756 WeakPolarHBondContact CA-O 3.47Å; Y666-E757 HydrophobicContact CD1-CB 3.95Å; Y666-E757 HydrophobicContact CD1-CG 4.09Å; Y666-E757 HydrophobicContact CE1-CB 3.75Å; Y666-E757 HydrophobicContact CE1-CG 3.57Å
667V91.7Very high90.6Very high0 Ų049.3 Ų49.30%028%0.276CS..EExtended strand (participates in β ladder)trans-124.9131.2169-162.90000107.1P641 S642 Y643 F665 L678 I680 Y756 V758 A816P641-V667 HydrophobicContact CB-CG1 4.25Å; S642-V667 CarbonylContact O-C 3.56Å; S642-V667 WeakPolarHBondContact O-CA 3.38Å; S642-V667 WeakPolarHBondContact O-CG1 3.05Å; Y643-V667 HydrophobicContact CD1-CB 4.47Å; Y643-V667 HydrophobicContact CD1-CG1 4.29Å; Y643-V667 HydrophobicContact CD1-CG2 3.58Å; Y643-V667 HydrophobicContact CE1-CG1 4.3Å; Y643-V667 HydrophobicContact CE1-CG2 3.49Å; Y643-V667 VanDerWaalsContact CE1-CG2 3.49Å; F665-V667 HydrophobicContact CD2-CG2 4.09Å; F665-V667 HydrophobicContact CE2-CG2 4.02Å; V667-L678 HydrophobicContact CB-CD1 3.86Å; V667-L678 HydrophobicContact CG1-CD1 3.56Å; V667-I680 HydrophobicContact CB-CD1 4.15Å; V667-I680 HydrophobicContact CG2-CD1 3.93Å; V667-Y756 PolarHBondContact N-O 3.28Å; V667-Y756 PolarHBondContact O-N 3.47Å; V667-V758 HydrophobicContact CG2-CG2 3.88Å; V667-A816 HydrophobicContact CG1-CB 3.79Å
668T91.4Very high90.7Very high34 Ų3446.9 Ų46.921%0.20926%0.255CS..EExtended strand (participates in β ladder)trans-124.1125.9-177.252.60000108S642S642-T668 WeakPolarHBondContact CA-O 3.25Å; S642-T668 WeakPolarHBondContact CB-O 3.4Å; S642-T668 PolarHBondContact N-O 2.9Å; S642-T668 PolarHBondContact O-N 2.99Å; S642-T668 PolarHBondContact O-OG1 3.17Å
669D92.5Very high90.8Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-110.5145.9168.5-153-49.3000109.4P641 D671 A676 L678 E753 T754P641-D669 WeakPolarHBondContact CA-OD2 3.38Å; P641-D669 WeakPolarHBondContact CD-OD2 3.28Å; P641-D669 VanDerWaalsContact CG-OD2 3.23Å; P641-D669 WeakPolarHBondContact CG-OD2 3.2Å; D669-D671 PolarHBondContact OD1-N 3.31Å; D669-A676 HydrophobicContact CB-CB 3.7Å; D669-L678 HydrophobicContact CB-CD1 4.39Å; D669-L678 HydrophobicContact CB-CD2 3.96Å; D669-L678 HydrophobicContact CB-CG 4.27Å; D669-L678 WeakPolarHBondContact OD2-CD2 3.23Å; D669-E753 CarbonylContact O-C 3.59Å; D669-E753 WeakPolarHBondContact O-CA 3.18Å; D669-T754 PolarHBondContact N-O 2.87Å; D669-T754 PolarHBondContact O-N 3.43Å
670K90Very high91Very high79 Ų7943.8 Ų43.834%0.34323%0.226SC..  trans-101-23.4-169.1-66.5-166.6164.6-151.20113.7R603 E604 N639 E753R603-K670 PolarHBondContact NH2-O 3.43Å; E604-K670 HydrophobicContact CG-CB 3.65Å; E604-K670 HydrophobicContact CG-CD 4.12Å; N639-K670 HydrophobicContact CB-CB 4.01Å; K670-E753 WeakPolarHBondContact CE-OE1 3.1Å; K670-E753 HydrophobicContact CG-CG 4.25Å; K670-E753 IonicContact NZ-OE1 3.52Å; K670-E753 PolarHBondContact NZ-OE1 3.41Å
671D92.3Very high90.9Very high0 Ų044.5 Ų44.50%023%0.226CC..SBendtrans-70.2-174.7-179.2-62.97.8000110R603 D635 N637 D638 N639 D669 N675 A676R603-D671 VanDerWaalsContact NH2-C 3.3Å; D635-D671 VanDerWaalsContact OD1-CA 3.28Å; D635-D671 WeakPolarHBondContact OD1-CA 3.1Å; N637-D671 VanDerWaalsContact CA-OD2 3.24Å; N637-D671 WeakPolarHBondContact CA-OD2 3.24Å; D638-D671 PolarHBondContact N-OD2 2.82Å; N639-D671 WeakPolarHBondContact CB-OD1 3.4Å; N639-D671 PolarHBondContact N-OD1 2.97Å; N639-D671 PolarHBondContact N-OD2 3.13Å; N639-D671 PolarHBondContact ND2-OD1 3.33Å; D669-D671 PolarHBondContact OD1-N 3.31Å; D671-N675 HydrophobicContact CB-CB 3.53Å; D671-A676 VanDerWaalsContact C-CB 3.48Å; D671-A676 HydrophobicContact CB-CB 4.31Å; D671-A676 WeakPolarHBondContact O-CB 3.33Å
672L88.1Confident90.6Very high82 Ų8242.5 Ų42.543%0.42922%0.216SC..  trans-122.9138.1-169.1-117.5170000113.6D635 K674 N675D635-L672 HydrophobicContact CB-CB 3.87Å; D635-L672 WeakPolarHBondContact OD1-CB 3.15Å; D635-L672 PolarHBondContact OD1-N 2.69Å; D635-L672 PolarHBondContact OD2-N 2.65Å; L672-K674 PolarHBondContact O-N 3.26Å; L672-K674 VanDerWaalsContact O-N 3.12Å; L672-N675 PolarHBondContact O-N 3.09Å
673G87.4Confident90.1Very high50 Ų5044.9 Ų44.952%0.51523%0.226SC..THydrogen-bonded Turntrans64.2-114.2176.300000111.5E677G673-E677 WeakPolarHBondContact O-CB 3.37Å; G673-E677 PolarHBondContact O-N 2.81Å
674K88.3Confident88.7Confident142 Ų14251.8 Ų51.862%0.61726%0.255SS*.THydrogen-bonded Turntrans-70.7-31.8-178.7-78-170.1175.1-175.60113.8L672 A676 E677 K819 G820L672-K674 PolarHBondContact O-N 3.26Å; L672-K674 VanDerWaalsContact O-N 3.12Å; K674-A676 PolarHBondContact O-N 2.94Å; K674-E677 PolarHBondContact O-N 3.09Å; K674-E677 VanDerWaalsContact O-N 3.12Å; K674-K819 CarbonylContact O-C 3.55Å; K674-K819 WeakPolarHBondContact O-CA 3.45Å; K674-K819 PolarHBondContact O-N 2.97Å; K674-K819 VanDerWaalsContact O-N 3.15Å; K674-G820 PolarHBondContact O-N 3.12Å
675N90.6Very high86.5Confident28 Ų2851.6 Ų51.615%0.1525%0.253CS..THydrogen-bonded Turntrans-68.1-22.1-177.7-64.1-3.7000111D635 N637 D671 L672 D818 G820D635-N675 VanDerWaalsContact OD2-CB 3.25Å; D635-N675 WeakPolarHBondContact OD2-CB 3.27Å; D635-N675 PolarHBondContact OD2-ND2 3.16Å; N637-N675 HydrophobicContact CB-CB 4.16Å; N637-N675 WeakPolarHBondContact OD1-CA 3.43Å; N637-N675 WeakPolarHBondContact OD1-CB 3.4Å; N637-N675 VanDerWaalsContact OD1-CG 3.3Å; N637-N675 PolarHBondContact OD1-O 2.78Å; N637-N675 PolarHBondContact OD1-OD1 3.08Å; D671-N675 HydrophobicContact CB-CB 3.53Å; L672-N675 PolarHBondContact O-N 3.09Å; N675-D818 WeakPolarHBondContact O-CB 3.3Å; N675-G820 WeakPolarHBondContact OD1-CA 3.45Å
676A89.3Confident84.1Confident0 Ų057.4 Ų57.40%028%0.278CS..THydrogen-bonded Turntrans-111.111171.500000114.6D669 D671 K674 L678 T754D669-A676 HydrophobicContact CB-CB 3.7Å; D671-A676 VanDerWaalsContact C-CB 3.48Å; D671-A676 HydrophobicContact CB-CB 4.31Å; D671-A676 WeakPolarHBondContact O-CB 3.33Å; K674-A676 PolarHBondContact O-N 2.94Å; A676-L678 PolarHBondContact O-N 3.04Å; A676-L678 VanDerWaalsContact O-N 3.09Å; A676-T754 WeakPolarHBondContact CB-OG1 3.39Å
677E90.1Very high81.5Confident80 Ų8060.4 Ų60.437%0.37430%0.295SS..  trans-85.978.6-176.6-165.7-158147.400112.2G673 K674 E679 K819G673-E677 WeakPolarHBondContact O-CB 3.37Å; G673-E677 PolarHBondContact O-N 2.81Å; K674-E677 PolarHBondContact O-N 3.09Å; K674-E677 VanDerWaalsContact O-N 3.12Å; E677-E679 PolarHBondContact O-N 3.19Å; E677-K819 HydrophobicContact CB-CD 4.12Å; E677-K819 HydrophobicContact CG-CD 4.06Å; E677-K819 WeakPolarHBondContact O-CD 3.43Å; E677-K819 WeakPolarHBondContact O-CE 3.22Å; E677-K819 WeakPolarHBondContact O-CG 3.02Å; E677-K819 PolarHBondContact O-NZ 3.39Å; E677-K819 VanDerWaalsContact O-NZ 3.15Å; E677-K819 IonicContact OE1-NZ 2.65Å; E677-K819 PolarHBondContact OE1-NZ 3.01Å
678L91Very high79Confident7 Ų764.6 Ų64.64%0.03731%0.311CS..  trans-60.2132.1-168.5-57.9-174.7000116P641 V667 D669 A676 I680 Y756 N817P641-L678 HydrophobicContact CB-CD1 4.43Å; P641-L678 HydrophobicContact CB-CD2 3.7Å; P641-L678 HydrophobicContact CG-CD2 3.55Å; V667-L678 HydrophobicContact CB-CD1 3.86Å; V667-L678 HydrophobicContact CG1-CD1 3.56Å; D669-L678 HydrophobicContact CB-CD1 4.39Å; D669-L678 HydrophobicContact CB-CD2 3.96Å; D669-L678 HydrophobicContact CB-CG 4.27Å; D669-L678 WeakPolarHBondContact OD2-CD2 3.23Å; A676-L678 PolarHBondContact O-N 3.04Å; A676-L678 VanDerWaalsContact O-N 3.09Å; L678-I680 HydrophobicContact CB-CD1 4.09Å; L678-I680 HydrophobicContact CB-CG1 3.82Å; L678-I680 HydrophobicContact CD1-CD1 4.09Å; L678-I680 HydrophobicContact CD1-CG1 4.49Å; L678-Y756 HydrophobicContact CB-CD2 3.94Å; L678-Y756 HydrophobicContact CB-CE1 4.26Å; L678-Y756 HydrophobicContact CB-CE2 3.67Å; L678-Y756 HydrophobicContact CB-CG 4.35Å; L678-Y756 HydrophobicContact CD1-CD2 3.71Å; L678-Y756 HydrophobicContact CD1-CE2 4.15Å; L678-Y756 HydrophobicContact CD1-CG 4.26Å; L678-Y756 HydrophobicContact CG-CD2 3.86Å; L678-Y756 HydrophobicContact CG-CE2 3.76Å; L678-Y756 PolarHBondContact N-OH 3.12Å; L678-Y756 VanDerWaalsContact N-OH 3.11Å; L678-N817 CarbonylContact C-O 3.59Å; L678-N817 WeakPolarHBondContact CA-O 3.21Å
679E91Very high76.6Confident87 Ų8766.2 Ų66.241%0.40732%0.323SS..EExtended strand (participates in β ladder)trans-101.7103.5161.3173.2-178.5-120.500107.9E677 Y681 N817 K823E677-E679 PolarHBondContact O-N 3.19Å; E679-Y681 HydrophobicContact CG-CD1 4.22Å; E679-Y681 HydrophobicContact CG-CE1 4.45Å; E679-N817 HydrophobicContact CB-CB 4.21Å; E679-N817 PolarHBondContact N-O 3.02Å; E679-N817 WeakPolarHBondContact O-CB 3.2Å; E679-N817 PolarHBondContact O-N 3.04Å; E679-K823 IonicContact OE2-NZ 2.72Å; E679-K823 PolarHBondContact OE2-NZ 2.87Å
680I91.7Very high74.5Confident16 Ų1668 Ų688%0.08233%0.332CS..EExtended strand (participates in β ladder)trans-106.9132.8-176.1-50.2-178.4000108.9V667 L678 L736 Y756 V758 V814 H815 A816V667-I680 HydrophobicContact CB-CD1 4.15Å; V667-I680 HydrophobicContact CG2-CD1 3.93Å; L678-I680 HydrophobicContact CB-CD1 4.09Å; L678-I680 HydrophobicContact CB-CG1 3.82Å; L678-I680 HydrophobicContact CD1-CD1 4.09Å; L678-I680 HydrophobicContact CD1-CG1 4.49Å; I680-L736 HydrophobicContact CB-CD1 3.97Å; I680-L736 HydrophobicContact CG2-CD1 3.84Å; I680-L736 WeakPolarHBondContact O-CD1 3.37Å; I680-Y756 HydrophobicContact CD1-CD1 4.39Å; I680-Y756 HydrophobicContact CD1-CG 4.31Å; I680-V758 HydrophobicContact CD1-CG2 3.58Å; I680-V758 HydrophobicContact CG2-CG1 4.43Å; I680-V758 HydrophobicContact CG2-CG2 4.46Å; I680-V814 HydrophobicContact CG2-CG1 3.58Å; I680-H815 WeakPolarHBondContact CA-O 3.26Å; I680-H815 WeakPolarHBondContact CG2-O 3.39Å; I680-A816 HydrophobicContact CG1-CB 4.31Å
681Y90.1Very high72.4Confident86 Ų8666 Ų6634%0.33732%0.324SS..EExtended strand (participates in β ladder)trans-150.7158.8177.957.7-86.5000113.5E679 V814 H815 N817E679-Y681 HydrophobicContact CG-CD1 4.22Å; E679-Y681 HydrophobicContact CG-CE1 4.45Å; Y681-V814 CarbonylContact O-C 3.57Å; Y681-V814 WeakPolarHBondContact O-CA 3.21Å; Y681-V814 WeakPolarHBondContact O-CG1 3.2Å; Y681-H815 HydrophobicContact CD2-CB 4.21Å; Y681-H815 HydrophobicContact CE1-CB 4.01Å; Y681-H815 HydrophobicContact CE2-CB 3.65Å; Y681-H815 AromaticContact CE2-CG 3.85Å; Y681-H815 PolarHBondContact N-O 2.96Å; Y681-H815 PolarHBondContact O-N 2.85Å; Y681-N817 HydrophobicContact CE1-CB 4.48Å; Y681-N817 VanDerWaalsContact CE1-ND2 3.33Å; Y681-N817 WeakPolarHBondContact CE1-ND2 3.45Å; Y681-N817 PolarHBondContact OH-ND2 3.29Å; Y681-N817 VanDerWaalsContact OH-ND2 3.09Å
682I86.6Confident70.1Confident31 Ų3172.4 Ų72.416%0.15935%0.35CS..EExtended strand (participates in β ladder)trans-84.5136.6169.1-66.6157.2000108.4E684 F734 L736 L760 L812 V814I682-E684 PolarHBondContact O-N 2.78Å; I682-E684 VanDerWaalsContact O-N 3.16Å; I682-F734 HydrophobicContact CD1-CB 3.9Å; I682-F734 WeakPolarHBondContact CD1-O 3.33Å; I682-L736 HydrophobicContact CD1-CD2 3.98Å; I682-L736 HydrophobicContact CG1-CD2 3.81Å; I682-L760 HydrophobicContact CD1-CD1 3.92Å; I682-L812 HydrophobicContact CD1-CD1 4.3Å; I682-L812 HydrophobicContact CG2-CD2 4.44Å; I682-V814 HydrophobicContact CG1-CG2 3.98Å
683E81Confident68Low63 Ų6369.8 Ų69.829%0.29434%0.336SS..  trans-63.8112.3178-166.6178.7141.600111.3N685 I813 H815E683-N685 PolarHBondContact O-N 3.4Å; E683-N685 PolarHBondContact OE1-ND2 3.03Å; E683-I813 HydrophobicContact CB-CB 4.13Å; E683-I813 PolarHBondContact N-O 2.79Å; E683-I813 WeakPolarHBondContact OE2-CD1 3.38Å; E683-I813 WeakPolarHBondContact OE2-CG2 3.32Å; E683-H815 IonicContact OE2-CD2 3.63Å; E683-H815 IonicContact OE2-CE1 2.71Å; E683-H815 IonicContact OE2-NE2 2.61Å; E683-H815 PolarHBondContact OE2-NE2 3.16Å
684E62.4Low65.7Low155 Ų15569.6 Ų69.672%0.72433%0.325SS*.  trans-7268.7179.3-67.8-156.7132.500112.8I682 F686I682-E684 PolarHBondContact O-N 2.78Å; I682-E684 VanDerWaalsContact O-N 3.16Å; E684-F686 HydrophobicContact CB-CD2 4.1Å; E684-F686 HydrophobicContact CB-CE2 3.67Å; E684-F686 HydrophobicContact CB-CZ 4.28Å; E684-F686 HydrophobicContact CG-CE2 4.34Å; E684-F686 WeakPolarHBondContact O-CD2 3.37Å; E684-F686 PolarHBondContact O-N 3.04Å; E684-F686 WeakPolarHBondContact OE2-CE2 3.5Å
685N47.3Very low63.2Low43 Ų4364.5 Ų64.523%0.2331%0.306CS..  trans-74.166.3178-105.8-59.5000112.4E683 E687 R688E683-N685 PolarHBondContact O-N 3.4Å; E683-N685 PolarHBondContact OE1-ND2 3.03Å; N685-E687 PolarHBondContact O-N 2.78Å; N685-R688 HydrophobicContact CB-CB 4.13Å; N685-R688 PolarHBondContact O-N 2.57Å
686F41.6Very low60.7Low123 Ų12368.1 Ų68.154%0.53932%0.324SS..THydrogen-bonded Turntrans-55.4-17.8176.3-70.2-72.8000114.5E684 I728E684-F686 HydrophobicContact CB-CD2 4.1Å; E684-F686 HydrophobicContact CB-CE2 3.67Å; E684-F686 HydrophobicContact CB-CZ 4.28Å; E684-F686 HydrophobicContact CG-CE2 4.34Å; E684-F686 WeakPolarHBondContact O-CD2 3.37Å; E684-F686 PolarHBondContact O-N 3.04Å; E684-F686 WeakPolarHBondContact OE2-CE2 3.5Å; F686-I728 HydrophobicContact CD1-CG2 4.14Å; F686-I728 HydrophobicContact CE1-CG2 4.46Å
687E36.6Very low58.1Low162 Ų16271.6 Ų71.676%0.75735%0.348SS*.THydrogen-bonded Turntrans-104.8-3.2177.7-58.7-164.215000114.3N685N685-E687 PolarHBondContact O-N 2.78Å
688R40Very low55.6Low88 Ų8876.1 Ų76.133%0.33237%0.367SS..  trans-140.390.2-174.1-63.7-174.8-173.9154.410.2113.7N685 N690N685-R688 HydrophobicContact CB-CB 4.13Å; N685-R688 PolarHBondContact O-N 2.57Å; R688-N690 VanDerWaalsContact C-N 3.28Å; R688-N690 PolarHBondContact O-N 2.71Å
689P41.9Very low53Low69 Ų6982.1 Ų82.145%0.44840%0.399SS..  trans-67.689.816029.4-33000109.2M691 I731P689-M691 PolarHBondContact O-N 2.88Å; P689-I731 HydrophobicContact CB-CD1 4.21Å
690N47Very low50.6Low38 Ų3882.1 Ų82.120%0.20340%0.401CS..  trans-72.261.1177.3-78.6-28.1000111.6R688 Y692 F811R688-N690 VanDerWaalsContact C-N 3.28Å; R688-N690 PolarHBondContact O-N 2.71Å; N690-Y692 HydrophobicContact CB-CE2 4.09Å; N690-F811 HydrophobicContact CB-CB 4.28Å; N690-F811 PolarHBondContact O-N 3.47Å
691M45.4Very low47.8Very low36 Ų3689 Ų8918%0.17744%0.439CS..EExtended strand (participates in β ladder)trans-110.7105.9177.2-172.9176.871.200109.6P689 L771 P808 I809 I810P689-M691 PolarHBondContact O-N 2.88Å; M691-L771 HydrophobicContact CE-CB 3.73Å; M691-L771 HydrophobicContact CE-CD2 3.99Å; M691-L771 HydrophobicContact CE-CG 4.35Å; M691-L771 WeakPolarHBondContact CE-O 3.38Å; M691-L771 HydrophobicContact SD-CB 3.67Å; M691-L771 HydrophobicContact SD-CD1 3.81Å; M691-L771 HydrophobicContact SD-CD2 3.7Å; M691-L771 HydrophobicContact SD-CG 3.9Å; M691-P808 HydrophobicContact SD-CB 4.49Å; M691-I809 WeakPolarHBondContact CA-O 3.02Å; M691-I810 HydrophobicContact CG-CG1 4.32Å; M691-I810 HydrophobicContact SD-CG1 4.36Å
692Y44Very low45.3Very low135 Ų13589.8 Ų89.853%0.52945%0.447SS..EExtended strand (participates in β ladder)trans-105.1126.6-177-63.4-94.9000109.8N690 T694 I809 F811N690-Y692 HydrophobicContact CB-CE2 4.09Å; Y692-T694 PolarHBondContact O-N 2.97Å; Y692-T694 VanDerWaalsContact O-N 3.16Å; Y692-I809 PolarHBondContact N-O 2.88Å; Y692-I809 VanDerWaalsContact N-O 3.08Å; Y692-I809 PolarHBondContact O-N 2.98Å; Y692-F811 AromaticContact CD2-CD2 3.74Å; Y692-F811 HydrophobicContact CD2-CD2 3.74Å; Y692-F811 AromaticContact CD2-CE2 3.88Å; Y692-F811 HydrophobicContact CD2-CE2 3.88Å; Y692-F811 HydrophobicContact CE2-CD2 4.48Å; Y692-F811 HydrophobicContact CG-CE2 4.42Å
693L44Very low42.7Very low26 Ų2693.1 Ų93.114%0.13647%0.471CS..EExtended strand (participates in β ladder)trans-76.695.5173.5-65.3172.5000109.5T695 I772 S775 T776 L806 P808L693-T695 PolarHBondContact O-N 2.96Å; L693-I772 HydrophobicContact CD2-CB 4.44Å; L693-I772 HydrophobicContact CD2-CG1 3.83Å; L693-S775 VanDerWaalsContact CD1-OG 3.3Å; L693-S775 WeakPolarHBondContact CD1-OG 3.41Å; L693-T776 HydrophobicContact CD1-CG2 4.12Å; L693-L806 HydrophobicContact CB-CD2 4.42Å; L693-L806 HydrophobicContact CD1-CD1 4.2Å; L693-L806 HydrophobicContact CD2-CB 4.34Å; L693-P808 HydrophobicContact CD2-CB 4.47Å; L693-P808 HydrophobicContact CD2-CG 4.41Å
694T39Very low40.5Very low46 Ų4697.1 Ų97.128%0.28250%0.495SS..THydrogen-bonded Turntrans-82.545.9-165.750.80000115.8Y692 T807 I809Y692-T694 PolarHBondContact O-N 2.97Å; Y692-T694 VanDerWaalsContact O-N 3.16Å; T694-T807 PolarHBondContact OG1-O 3.19Å; T694-I809 HydrophobicContact CG2-CB 4.34Å; T694-I809 HydrophobicContact CG2-CD1 3.98Å; T694-I809 HydrophobicContact CG2-CG1 4.25Å; T694-I809 WeakPolarHBondContact OG1-CD1 3.41Å; T694-I809 WeakPolarHBondContact OG1-CG1 3.26Å
695T37.1Very low39.5Very low36 Ų3694.5 Ų94.522%0.22149%0.486CS..THydrogen-bonded Turntrans-131.1-0.2171.3-18.60000115.1L693 S697 M805L693-T695 PolarHBondContact O-N 2.96Å; T695-S697 VanDerWaalsContact C-N 3.29Å; T695-S697 PolarHBondContact O-N 3.29Å; T695-M805 WeakPolarHBondContact CB-O 3.26Å; T695-M805 WeakPolarHBondContact CG2-O 3.23Å; T695-M805 PolarHBondContact OG1-O 3.47Å
696L37Very low38.9Very low104 Ų10497.9 Ų97.955%0.54550%0.503SS..THydrogen-bonded Turntrans-66.6-26.3173.9-91.5158000113.7L700L696-L700 WeakPolarHBondContact O-CD1 3.23Å; L696-L700 WeakPolarHBondContact O-CG 3.46Å
697S35.5Very low38.8Very low72 Ų7297.5 Ų97.550%0.50350%0.503SS..THydrogen-bonded Turntrans-87.1-16.1-172.455.90000115.9T695T695-S697 VanDerWaalsContact C-N 3.29Å; T695-S697 PolarHBondContact O-N 3.29Å
698K36.5Very low38.9Very low175 Ų17596 Ų9676%0.76150%0.496SS*.THydrogen-bonded Turntrans-93.1-18-175.8-83.4-171.3173-177.50115.4
699N37.5Very low38.7Very low134 Ų13498 Ų9872%0.71751%0.512SS*.SBendtrans-102.4-1.4176.7-70.5-20.7000113.2
700L39.9Very low38.3Very low86 Ų86103.6 Ų103.645%0.4553%0.525SS..  trans-102.498.6173.1-67.3176.9000109.3L696 I702L696-L700 WeakPolarHBondContact O-CD1 3.23Å; L696-L700 WeakPolarHBondContact O-CG 3.46Å; L700-I702 HydrophobicContact CB-CD1 4.23Å; L700-I702 HydrophobicContact CB-CG1 4.25Å; L700-I702 HydrophobicContact CD2-CD1 4.16Å; L700-I702 PolarHBondContact O-N 2.75Å
701N33.9Very low37.7Very low162 Ų162108.9 Ų108.987%0.86655%0.546SS*.  trans-72.659.7171-78.7-19.8000111.2
702I37.3Very low37.2Very low101 Ų101112 Ų11252%0.51856%0.563SS.*  trans-122.7106.4-176.1-56178.3000108.5L700L700-I702 HydrophobicContact CB-CD1 4.23Å; L700-I702 HydrophobicContact CB-CG1 4.25Å; L700-I702 HydrophobicContact CD2-CD1 4.16Å; L700-I702 PolarHBondContact O-N 2.75Å
703P31.7Very low36.7Very low101 Ų101108.4 Ų108.466%0.65656%0.558SS**  trans-65.3146.5173.3-21.333.8000112.8D705P703-D705 VanDerWaalsContact C-N 3.34Å; P703-D705 PolarHBondContact O-N 3.46Å
704N34.3Very low36.3Very low148 Ų148115.9 Ų115.979%0.79159%0.585SS**SBendtrans66.6-22.3158-59.32000120.8L706N704-L706 VanDerWaalsContact C-N 3.3Å; N704-L706 PolarHBondContact O-N 2.81Å
705D41.5Very low36Very low100 Ų100116 Ų11654%0.53560%0.595SS.*THydrogen-bonded Turntrans-75.4-10.8-173.7-72.5-28.3000115.5P703 E707 Q708P703-D705 VanDerWaalsContact C-N 3.34Å; P703-D705 PolarHBondContact O-N 3.46Å; D705-E707 VanDerWaalsContact C-N 3.34Å; D705-E707 PolarHBondContact O-N 3.15Å; D705-Q708 PolarHBondContact O-N 3.35Å
706L34.9Very low35.8Very low113 Ų113118.1 Ų118.159%0.59260%0.604SS**Hα-helixtrans-68.5-25.5-177.7-101.8165.1000114.4N704 R710N704-L706 VanDerWaalsContact C-N 3.3Å; N704-L706 PolarHBondContact O-N 2.81Å; L706-R710 PolarHBondContact O-N 2.81Å
707E39.8Very low35.5Very low116 Ų116118.2 Ų118.254%0.54261%0.605SS.*Hα-helixtrans-69-36.6177.6-68.7-126.1114.400112.3D705 L709 R710 F711D705-E707 VanDerWaalsContact C-N 3.34Å; D705-E707 PolarHBondContact O-N 3.15Å; E707-L709 VanDerWaalsContact C-N 3.3Å; E707-L709 PolarHBondContact O-N 3.15Å; E707-R710 WeakPolarHBondContact O-CA 3.31Å; E707-R710 WeakPolarHBondContact O-CB 3.19Å; E707-R710 PolarHBondContact O-N 2.78Å; E707-F711 WeakPolarHBondContact O-CD2 3.33Å; E707-F711 PolarHBondContact O-N 2.91Å
708Q37.6Very low35.4Very low129 Ų129123.3 Ų123.360%0.60361%0.614SS**Hα-helixtrans-67-32.1-178.6-61.9-166.62100112.3D705 N712D705-Q708 PolarHBondContact O-N 3.35Å; Q708-N712 WeakPolarHBondContact O-CB 3.5Å; Q708-N712 PolarHBondContact O-N 3.45Å; Q708-N712 PolarHBondContact O-ND2 3.11Å
709L36.2Very low35.2Very low131 Ų131119.5 Ų119.569%0.68661%0.61SS**Hα-helixtrans-70.6-36.5170.5-71.9168.8000111.8E707 S713E707-L709 VanDerWaalsContact C-N 3.3Å; E707-L709 PolarHBondContact O-N 3.15Å; L709-S713 PolarHBondContact O-N 3.06Å
710R34Very low35Very low186 Ų186115.6 Ų115.670%0.70259%0.593SS**Hα-helixtrans-63.8-46.9178-143173.8-171.2-173-0.1111.5L706 E707 S713L706-R710 PolarHBondContact O-N 2.81Å; E707-R710 WeakPolarHBondContact O-CA 3.31Å; E707-R710 WeakPolarHBondContact O-CB 3.19Å; E707-R710 PolarHBondContact O-N 2.78Å; R710-S713 PolarHBondContact O-OG 2.65Å
711F34.1Very low34.7Very low150 Ų150115.5 Ų115.566%0.65861%0.613SS**Hα-helixtrans-69.4-41.9178.4-88.1-90.9000113.6E707 S713E707-F711 WeakPolarHBondContact O-CD2 3.33Å; E707-F711 PolarHBondContact O-N 2.91Å; F711-S713 VanDerWaalsContact C-N 3.29Å; F711-S713 PolarHBondContact O-N 2.82Å
712N35.3Very low34.7Very low101 Ų101114.5 Ų114.554%0.5461%0.607SS.*Hα-helixtrans-77.5-9.4-175.7-72.4-55.7000114.7Q708 R714 G715 L716Q708-N712 WeakPolarHBondContact O-CB 3.5Å; Q708-N712 PolarHBondContact O-N 3.45Å; Q708-N712 PolarHBondContact O-ND2 3.11Å; N712-R714 PolarHBondContact O-N 2.68Å; N712-G715 PolarHBondContact O-N 2.71Å; N712-L716 PolarHBondContact O-N 2.83Å
713S33.4Very low34.3Very low60 Ų60121.4 Ų121.442%0.4263%0.626SS.*Hα-helixtrans-55.6-32.717167.20000113.1L709 R710 F711 G715L709-S713 PolarHBondContact O-N 3.06Å; R710-S713 PolarHBondContact O-OG 2.65Å; F711-S713 VanDerWaalsContact C-N 3.29Å; F711-S713 PolarHBondContact O-N 2.82Å; S713-G715 VanDerWaalsContact C-N 3.25Å; S713-G715 PolarHBondContact O-N 3.23Å
714R35.2Very low34.3Very low183 Ų183122.5 Ų122.569%0.69162%0.623SS**Hα-helixtrans-67-18.2173.5-89.6-179.4165.5138.5-5114N712 Y718N712-R714 PolarHBondContact O-N 2.68Å; R714-Y718 WeakPolarHBondContact O-CD2 3.46Å; R714-Y718 WeakPolarHBondContact O-CE2 3.49Å
715G32.4Very low34.1Very low48 Ų48126.3 Ų126.350%0.49563%0.626SS.*Hα-helixtrans-90.5-40.1178.900000113.8N712 S713 L717N712-G715 PolarHBondContact O-N 2.71Å; S713-G715 VanDerWaalsContact C-N 3.25Å; S713-G715 PolarHBondContact O-N 3.23Å; G715-L717 PolarHBondContact O-N 3.48Å
716L33.2Very low33.7Very low80 Ų80130.1 Ų130.142%0.41964%0.638SS.*Hα-helixtrans-76.2-21.7-167.6-78.9164.7000115.3N712 S719 Y786N712-L716 PolarHBondContact O-N 2.83Å; L716-S719 PolarHBondContact O-OG 3.28Å; L716-Y786 HydrophobicContact CD1-CE2 3.85Å; L716-Y786 HydrophobicContact CD2-CE2 3.64Å; L716-Y786 HydrophobicContact CG-CE2 4.41Å
717L31.4Very low33.7Very low107 Ų107130.9 Ų130.956%0.5663%0.634SS**THydrogen-bonded Turntrans-78.4-26.9179.4-73.5166.1000113.4G715G715-L717 PolarHBondContact O-N 3.48Å
718Y33.7Very low33.4Very low178 Ų178128.6 Ų128.670%0.69863%0.625SS**THydrogen-bonded Turntrans-80.4-16.2-178.6-69.3-81.9000114R714R714-Y718 WeakPolarHBondContact O-CD2 3.46Å; R714-Y718 WeakPolarHBondContact O-CE2 3.49Å
719S32.7Very low33.5Very low95 Ų95131.1 Ų131.166%0.66464%0.636SS**THydrogen-bonded Turntrans-89.4-11.6-177.851.30000115.2L716L716-S719 PolarHBondContact O-OG 3.28Å
720S32.4Very low34Very low53 Ų53127.5 Ų127.537%0.37162%0.622SS.*SBendtrans-115.8104.3-179.859.40000111.4L722S720-L722 PolarHBondContact O-N 3.26Å
721G33.3Very low34.9Very low84 Ų84122.7 Ų122.787%0.86661%0.609SS**  trans-70.945.3-173.200000116.8R723G721-R723 VanDerWaalsContact C-N 3.27Å; G721-R723 PolarHBondContact O-N 3.41Å
722L34.9Very low36.2Very low141 Ų141116.3 Ų116.374%0.73858%0.583SS**  trans-78.962.4-174.9-71.5171.4000113.3S720 Q724S720-L722 PolarHBondContact O-N 3.26Å; L722-Q724 PolarHBondContact O-N 2.99Å
723R27.4Very low37.9Very low246 Ų246117.9 Ų117.993%0.92859%0.586SS**  trans-64.887.6167.2-78.5-176.2168.4-174.7-2.4111.2G721G721-R723 VanDerWaalsContact C-N 3.27Å; G721-R723 PolarHBondContact O-N 3.41Å
724Q32.3Very low40.4Very low124 Ų124116.2 Ų116.258%0.57957%0.571SS**  trans-132.393.9168.8-71.2-162.8-8.800112.7L722 K726 Y727L722-Q724 PolarHBondContact O-N 2.99Å; Q724-K726 PolarHBondContact O-N 3.41Å; Q724-Y727 HydrophobicContact CB-CD2 4.4Å
725R30.8Very low42.9Very low228 Ų228111 Ų11186%0.8656%0.556SS**G310 helixtrans-54.6-8171.2-78.3-179.7166.5175-6.3115.2Y727 I728R725-Y727 VanDerWaalsContact C-N 3.35Å; R725-Y727 PolarHBondContact O-N 2.82Å; R725-I728 HydrophobicContact CB-CD1 4.47Å; R725-I728 HydrophobicContact CG-CD1 4.49Å
726K33.3Very low45.6Very low180 Ų180110.2 Ų110.278%0.78354%0.54SS*.G310 helixtrans-82.40.7-169.7-122.7-171.5-177.5-167.80115.9Q724Q724-K726 PolarHBondContact O-N 3.41Å
727Y34.5Very low48.3Very low128 Ų128109.4 Ų109.450%0.50254%0.538SS..G310 helixtrans-109.8-7.3-180-73.4-85.4000114Q724 R725 E729 S730Q724-Y727 HydrophobicContact CB-CD2 4.4Å; R725-Y727 VanDerWaalsContact C-N 3.35Å; R725-Y727 PolarHBondContact O-N 2.82Å; Y727-E729 VanDerWaalsContact C-N 3.29Å; Y727-E729 PolarHBondContact O-N 2.96Å; Y727-S730 PolarHBondContact O-OG 2.81Å
728I34.2Very low51.1Low69 Ų69106.4 Ų106.435%0.35453%0.527SS..G310 helixtrans-68.7-28-173.5-59.9173.3000111.8F686 R725 S730F686-I728 HydrophobicContact CD1-CG2 4.14Å; F686-I728 HydrophobicContact CE1-CG2 4.46Å; R725-I728 HydrophobicContact CB-CD1 4.47Å; R725-I728 HydrophobicContact CG-CD1 4.49Å; I728-S730 PolarHBondContact O-N 2.83Å
729E38.2Very low53.6Low181 Ų181101.8 Ų101.885%0.84651%0.508SS*.G310 helixtrans-68.71.7-174.8-60.6176158.300115.1Y727Y727-E729 VanDerWaalsContact C-N 3.29Å; Y727-E729 PolarHBondContact O-N 2.96Å
730S46.8Very low56Low55 Ų55100.2 Ų100.239%0.38550%0.496SS..G310 helixtrans-128.415.9-173.4780000115.5Y727 I728 K774Y727-S730 PolarHBondContact O-OG 2.81Å; I728-S730 PolarHBondContact O-N 2.83Å; S730-K774 PolarHBondContact O-NZ 3.26Å
731I53.5Low58.1Low85 Ų85101 Ų10144%0.43650%0.496SS..SBendtrans-88.7132.7166.6-60.1175.1000108P689 K733P689-I731 HydrophobicContact CB-CD1 4.21Å; I731-K733 PolarHBondContact O-N 2.98Å
732S60.5Low59.3Low17 Ų17104.8 Ų104.812%0.11949%0.491CS..PPolyproline II helixtrans-62.9121.4178.4-53.60000110.8F734 S764 I766S732-F734 VanDerWaalsContact O-CD2 3.31Å; S732-F734 WeakPolarHBondContact O-CD2 3.38Å; S732-F734 WeakPolarHBondContact O-CE2 3.38Å; S732-S764 WeakPolarHBondContact CA-OG 3.43Å; S732-S764 WeakPolarHBondContact CB-OG 3.35Å; S732-I766 VanDerWaalsContact OG-CG1 3.25Å; S732-I766 WeakPolarHBondContact OG-CG1 3.36Å
733K71.5Confident60.2Low134 Ų134103.2 Ų103.258%0.58349%0.487SS*.PPolyproline II helixtrans-80.8132.5-179-79.6-166.5176.8-1690111I731 I762 E763 S764I731-K733 PolarHBondContact O-N 2.98Å; K733-I762 WeakPolarHBondContact O-CG1 3.19Å; K733-E763 HydrophobicContact CB-CB 3.88Å; K733-E763 HydrophobicContact CB-CG 4.5Å; K733-E763 WeakPolarHBondContact CD-OE2 3.21Å; K733-E763 PolarHBondContact O-N 2.83Å; K733-S764 PolarHBondContact N-OG 2.8Å
734F85.3Confident60.7Low24 Ų2498.6 Ų98.611%0.10548%0.481CS..EExtended strand (participates in β ladder)trans-117.1137.8170.3-63.3-90.9000109L652 V662 I682 S732 L760 Y761 I762 I766 I810 L812 I832L652-F734 HydrophobicContact CD2-CE1 4.36Å; V662-F734 HydrophobicContact CG2-CD1 4.22Å; V662-F734 HydrophobicContact CG2-CE1 4.08Å; I682-F734 HydrophobicContact CD1-CB 3.9Å; I682-F734 WeakPolarHBondContact CD1-O 3.33Å; S732-F734 VanDerWaalsContact O-CD2 3.31Å; S732-F734 WeakPolarHBondContact O-CD2 3.38Å; S732-F734 WeakPolarHBondContact O-CE2 3.38Å; F734-L760 HydrophobicContact CB-CD1 4.04Å; F734-L760 HydrophobicContact CD1-CD1 4.46Å; F734-L760 HydrophobicContact CD1-CG 4.47Å; F734-Y761 CarbonylContact C-O 3.58Å; F734-Y761 VanDerWaalsContact CA-O 3.26Å; F734-Y761 WeakPolarHBondContact CA-O 3.38Å; F734-I762 HydrophobicContact CD1-CB 3.91Å; F734-I762 HydrophobicContact CD1-CD1 4.49Å; F734-I762 HydrophobicContact CD1-CG1 4.01Å; F734-I762 HydrophobicContact CE1-CB 3.84Å; F734-I762 HydrophobicContact CE1-CD1 3.74Å; F734-I762 HydrophobicContact CE1-CG1 3.75Å; F734-I762 HydrophobicContact CZ-CD1 3.79Å; F734-I762 HydrophobicContact CZ-CG1 4.14Å; F734-I766 HydrophobicContact CZ-CD1 4.28Å; F734-I810 HydrophobicContact CE2-CD1 4.06Å; F734-I810 HydrophobicContact CE2-CG2 4.09Å; F734-I810 HydrophobicContact CZ-CD1 4.02Å; F734-L812 HydrophobicContact CB-CD1 3.85Å; F734-L812 HydrophobicContact CD1-CD1 4.22Å; F734-L812 HydrophobicContact CD2-CD1 4.01Å; F734-L812 HydrophobicContact CD2-CD2 3.89Å; F734-L812 HydrophobicContact CD2-CG 4.49Å; F734-L812 HydrophobicContact CE2-CD2 4.34Å; F734-L812 HydrophobicContact CG-CD1 3.75Å; F734-L812 HydrophobicContact CG-CD2 4.46Å; F734-I832 HydrophobicContact CD1-CD1 3.97Å; F734-I832 HydrophobicContact CE1-CD1 3.45Å; F734-I832 VanDerWaalsContact CE1-CD1 3.45Å; F734-I832 HydrophobicContact CE2-CD1 4.28Å; F734-I832 HydrophobicContact CZ-CD1 3.63Å
735I87.8Confident61Low74 Ų74102.1 Ų102.138%0.37949%0.49SS..EExtended strand (participates in β ladder)trans-119.1139.7171.4-79.8-171.9000107.3Y761 E763I735-Y761 PolarHBondContact N-O 3.04Å; I735-Y761 PolarHBondContact O-N 3.49Å; I735-E763 HydrophobicContact CB-CG 4.35Å; I735-E763 HydrophobicContact CD1-CG 3.83Å; I735-E763 VanDerWaalsContact CD1-OE1 3.29Å; I735-E763 WeakPolarHBondContact CD1-OE1 3.4Å; I735-E763 HydrophobicContact CG1-CG 3.91Å
736L89.5Confident61.2Low31 Ų31101.3 Ų101.316%0.16249%0.489CS..EExtended strand (participates in β ladder)trans-94.6154.5163.465.8132.1000110.3I680 I682 V758 K759I680-L736 HydrophobicContact CB-CD1 3.97Å; I680-L736 HydrophobicContact CG2-CD1 3.84Å; I680-L736 WeakPolarHBondContact O-CD1 3.37Å; I682-L736 HydrophobicContact CD1-CD2 3.98Å; I682-L736 HydrophobicContact CG1-CD2 3.81Å; L736-V758 HydrophobicContact CB-CG1 3.92Å; L736-V758 HydrophobicContact CD1-CG1 3.88Å; L736-K759 CarbonylContact C-O 3.55Å; L736-K759 VanDerWaalsContact CA-O 3.28Å; L736-K759 WeakPolarHBondContact CA-O 3.25Å
737T90.2Very high61Low63 Ų63100.1 Ų100.139%0.38749%0.49SS..EExtended strand (participates in β ladder)trans-121.7130.8150.763.50000108.4V758 K759 Y761T737-V758 CarbonylContact O-C 3.58Å; T737-V758 WeakPolarHBondContact O-CA 3.15Å; T737-K759 PolarHBondContact N-O 3.41Å; T737-K759 PolarHBondContact O-N 3.49Å; T737-Y761 HydrophobicContact CG2-CE2 4.35Å
738S89.6Confident60.8Low45 Ų4599.1 Ų99.132%0.31550%0.502SS..EExtended strand (participates in β ladder)trans-116.3134177.752.60000109.1E757S738-E757 WeakPolarHBondContact CA-O 3.34Å
739Y86.4Confident60.7Low80 Ų80105 Ų10531%0.31453%0.526SS..EExtended strand (participates in β ladder)trans-140.9142.3174.550.7-94.3000111.7L741 Y756 E757 K759Y739-L741 HydrophobicContact CD2-CD2 4.42Å; Y739-L741 HydrophobicContact CE2-CD2 4.07Å; Y739-Y756 WeakPolarHBondContact O-CA 3.01Å; Y739-E757 HydrophobicContact CD2-CB 4.28Å; Y739-E757 HydrophobicContact CE2-CB 3.67Å; Y739-E757 HydrophobicContact CE2-CG 4.29Å; Y739-E757 WeakPolarHBondContact CE2-OE2 3.28Å; Y739-E757 VanDerWaalsContact CZ-OE2 3.29Å; Y739-E757 PolarHBondContact N-O 2.88Å; Y739-E757 PolarHBondContact O-N 2.77Å; Y739-E757 PolarHBondContact OH-OE1 3.42Å; Y739-E757 PolarHBondContact OH-OE2 2.89Å; Y739-K759 HydrophobicContact CE1-CD 4.39Å; Y739-K759 PolarHBondContact OH-NZ 2.74Å
740P84.4Confident60.6Low63 Ų63104.3 Ų104.341%0.40953%0.528SS..EExtended strand (participates in β ladder)trans-68.6137.3176.329.5-34.5000110.3H742 S755 Y756P740-H742 PolarHBondContact O-N 2.88Å; P740-S755 CarbonylContact C-O 3.6Å; P740-S755 WeakPolarHBondContact CA-O 3.44Å; P740-Y756 HydrophobicContact CB-CE1 4.3Å
741L76.2Confident60.7Low68 Ų68105.1 Ų105.136%0.35653%0.53SS..  trans-87.3102.6173.5-65.7172.6000108.5Y666 Y739 T743 S755 E757Y666-L741 HydrophobicContact CD1-CD1 4Å; Y666-L741 HydrophobicContact CE1-CD1 4.04Å; Y739-L741 HydrophobicContact CD2-CD2 4.42Å; Y739-L741 HydrophobicContact CE2-CD2 4.07Å; L741-T743 PolarHBondContact O-N 3.09Å; L741-S755 PolarHBondContact N-O 2.9Å; L741-E757 HydrophobicContact CD1-CB 4.23Å; L741-E757 HydrophobicContact CD2-CB 4.01Å; L741-E757 HydrophobicContact CG-CB 4.19Å
742H58.5Low60.9Low165 Ų165106 Ų10676%0.76454%0.536SS*.  trans-64.9131.3173.2-76.7-66.5000110.9P740 N744P740-H742 PolarHBondContact O-N 2.88Å; H742-N744 PolarHBondContact O-N 2.76Å
743T52.7Low61.2Low108 Ų108108.1 Ų108.166%0.66354%0.544SS*.SBendtrans-69.828.6-172.542.60000115.6L741L741-T743 PolarHBondContact O-N 3.09Å
744N38.9Very low61.6Low148 Ų148103.7 Ų103.779%0.79153%0.528SS*.  trans-107.943-174-85.7-34.8000113.8H742H742-N744 PolarHBondContact O-N 2.76Å
745Y37.9Very low61.6Low198 Ų198104.1 Ų104.178%0.77653%0.534SS*.SBendtrans-157.6140.2159-133.3-100.7000111.1
746Y35.3Very low61.7Low212 Ų212101.6 Ų101.683%0.83152%0.52SS*.SBendtrans73.7133.5-169.4-64.5-81.7000116.7
747N29.1Very low61.8Low154 Ų154101.3 Ų101.382%0.82452%0.518SS*.SBendtrans-81.7164.8176.3-70.5-26.2000111.5
748S30.1Very low62Low107 Ų10798.3 Ų98.375%0.74850%0.5SS*.  trans56.577.5172.565.90000115.8
749F31.8Very low62.2Low194 Ų19498.2 Ų98.285%0.85149%0.494SS*.  -156.1144.9113.4-91.1-67.2000108.8T751F749-T751 VanDerWaalsContact C-N 3.26Å; F749-T751 PolarHBondContact O-N 2.87Å; F749-T751 VanDerWaalsContact O-N 3.16Å
750N37.1Very low62.5Low166 Ų16694.4 Ų94.489%0.88848%0.479SS*.  trans-92.243.3-166.8-151.255.5000112.6
751T48Very low62.9Low71 Ų7194.7 Ų94.744%0.43647%0.472SS..  trans-105.8110.4-167.546.50000111.4F749 E753F749-T751 VanDerWaalsContact C-N 3.26Å; F749-T751 PolarHBondContact O-N 2.87Å; F749-T751 VanDerWaalsContact O-N 3.16Å; T751-E753 PolarHBondContact O-N 2.84Å; T751-E753 VanDerWaalsContact O-N 3.11Å
752N57.3Low63.5Low105 Ų10591.5 Ų91.556%0.56146%0.455SS*.  trans-76.221.7171.3-73.2-28.4000113.1T754N752-T754 PolarHBondContact O-N 2.96Å
753E67.2Low64.8Low61 Ų6187.7 Ų87.729%0.28544%0.438SS..  trans-67.4123.9-177.8-64-178.7152.900110.8D669 K670 T751 S755D669-E753 CarbonylContact O-C 3.59Å; D669-E753 WeakPolarHBondContact O-CA 3.18Å; K670-E753 WeakPolarHBondContact CE-OE1 3.1Å; K670-E753 HydrophobicContact CG-CG 4.25Å; K670-E753 IonicContact NZ-OE1 3.52Å; K670-E753 PolarHBondContact NZ-OE1 3.41Å; T751-E753 PolarHBondContact O-N 2.84Å; T751-E753 VanDerWaalsContact O-N 3.11Å; E753-S755 PolarHBondContact O-N 3Å; E753-S755 PolarHBondContact O-OG 2.91Å
754T79.6Confident66.2Low40 Ų4083.9 Ų83.925%0.24542%0.416CS..EExtended strand (participates in β ladder)trans-7897-176.9-500000110D669 A676 N752 Y756D669-T754 PolarHBondContact N-O 2.87Å; D669-T754 PolarHBondContact O-N 3.43Å; A676-T754 WeakPolarHBondContact CB-OG1 3.39Å; N752-T754 PolarHBondContact O-N 2.96Å; T754-Y756 HydrophobicContact CG2-CD2 4.27Å; T754-Y756 HydrophobicContact CG2-CE2 3.66Å
755S85.1Confident68.3Low34 Ų3481.4 Ų81.424%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-91.1130.5-177.1-62.10000112.1P740 L741 E753P740-S755 CarbonylContact C-O 3.6Å; P740-S755 WeakPolarHBondContact CA-O 3.44Å; L741-S755 PolarHBondContact N-O 2.9Å; E753-S755 PolarHBondContact O-N 3Å; E753-S755 PolarHBondContact O-OG 2.91Å
756Y90.7Very high70.4Confident20 Ų2072.1 Ų72.18%0.07837%0.365CS..EExtended strand (participates in β ladder)trans-113.6127.9173.2-76.2-107.7000110.7Y666 V667 L678 I680 Y739 P740 T754Y666-Y756 WeakPolarHBondContact CA-O 3.47Å; V667-Y756 PolarHBondContact N-O 3.28Å; V667-Y756 PolarHBondContact O-N 3.47Å; L678-Y756 HydrophobicContact CB-CD2 3.94Å; L678-Y756 HydrophobicContact CB-CE1 4.26Å; L678-Y756 HydrophobicContact CB-CE2 3.67Å; L678-Y756 HydrophobicContact CB-CG 4.35Å; L678-Y756 HydrophobicContact CD1-CD2 3.71Å; L678-Y756 HydrophobicContact CD1-CE2 4.15Å; L678-Y756 HydrophobicContact CD1-CG 4.26Å; L678-Y756 HydrophobicContact CG-CD2 3.86Å; L678-Y756 HydrophobicContact CG-CE2 3.76Å; L678-Y756 PolarHBondContact N-OH 3.12Å; L678-Y756 VanDerWaalsContact N-OH 3.11Å; I680-Y756 HydrophobicContact CD1-CD1 4.39Å; I680-Y756 HydrophobicContact CD1-CG 4.31Å; Y739-Y756 WeakPolarHBondContact O-CA 3.01Å; P740-Y756 HydrophobicContact CB-CE1 4.3Å; T754-Y756 HydrophobicContact CG2-CD2 4.27Å; T754-Y756 HydrophobicContact CG2-CE2 3.66Å
757E92.6Very high72.6Confident26 Ų2664.9 Ų64.912%0.12134%0.341CS..EExtended strand (participates in β ladder)trans-86.3128.6162.7-173.3-177.7168.400108.5T664 Y666 S738 Y739 L741 K759T664-E757 HydrophobicContact CG2-CG 3.49Å; T664-E757 VanDerWaalsContact CG2-CG 3.49Å; T664-E757 VanDerWaalsContact CG2-OE1 3.25Å; T664-E757 WeakPolarHBondContact CG2-OE1 3.07Å; Y666-E757 HydrophobicContact CD1-CB 3.95Å; Y666-E757 HydrophobicContact CD1-CG 4.09Å; Y666-E757 HydrophobicContact CE1-CB 3.75Å; Y666-E757 HydrophobicContact CE1-CG 3.57Å; S738-E757 WeakPolarHBondContact CA-O 3.34Å; Y739-E757 HydrophobicContact CD2-CB 4.28Å; Y739-E757 HydrophobicContact CE2-CB 3.67Å; Y739-E757 HydrophobicContact CE2-CG 4.29Å; Y739-E757 WeakPolarHBondContact CE2-OE2 3.28Å; Y739-E757 VanDerWaalsContact CZ-OE2 3.29Å; Y739-E757 PolarHBondContact N-O 2.88Å; Y739-E757 PolarHBondContact O-N 2.77Å; Y739-E757 PolarHBondContact OH-OE1 3.42Å; Y739-E757 PolarHBondContact OH-OE2 2.89Å; L741-E757 HydrophobicContact CD1-CB 4.23Å; L741-E757 HydrophobicContact CD2-CB 4.01Å; L741-E757 HydrophobicContact CG-CB 4.19Å; E757-K759 WeakPolarHBondContact OE1-CE 3.3Å; E757-K759 IonicContact OE1-NZ 2.62Å; E757-K759 PolarHBondContact OE1-NZ 3.28Å; E757-K759 IonicContact OE2-NZ 3.17Å
758V92.9Very high75.1Confident0 Ų057.7 Ų57.70%030%0.302CS..EExtended strand (participates in β ladder)trans-118.1120.6179.6-164.60000109.6T664 F665 V667 I680 L736 T737T664-V758 WeakPolarHBondContact CA-O 3.34Å; F665-V758 HydrophobicContact CD1-CB 4.32Å; F665-V758 HydrophobicContact CD2-CB 3.91Å; F665-V758 HydrophobicContact CD2-CG2 4.18Å; F665-V758 HydrophobicContact CE1-CB 3.99Å; F665-V758 HydrophobicContact CE1-CG1 3.88Å; F665-V758 HydrophobicContact CE2-CB 3.55Å; F665-V758 HydrophobicContact CE2-CG1 3.81Å; F665-V758 HydrophobicContact CE2-CG2 3.8Å; F665-V758 HydrophobicContact CG-CB 4.28Å; F665-V758 HydrophobicContact CZ-CB 3.6Å; F665-V758 HydrophobicContact CZ-CG1 3.39Å; F665-V758 HydrophobicContact CZ-CG2 4.28Å; F665-V758 PolarHBondContact N-O 2.85Å; F665-V758 PolarHBondContact O-N 3.15Å; V667-V758 HydrophobicContact CG2-CG2 3.88Å; I680-V758 HydrophobicContact CD1-CG2 3.58Å; I680-V758 HydrophobicContact CG2-CG1 4.43Å; I680-V758 HydrophobicContact CG2-CG2 4.46Å; L736-V758 HydrophobicContact CB-CG1 3.92Å; L736-V758 HydrophobicContact CD1-CG1 3.88Å; T737-V758 CarbonylContact O-C 3.58Å; T737-V758 WeakPolarHBondContact O-CA 3.15Å
759K93.7Very high77.5Confident43 Ų4353.5 Ų53.519%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-106.1120.1178.9-77.7-177.2163.7125.80110.2L661 T664 L736 T737 Y739 E757 Y761L661-K759 HydrophobicContact CD1-CB 3.72Å; L661-K759 HydrophobicContact CD1-CD 4.23Å; L661-K759 HydrophobicContact CD1-CG 3.93Å; T664-K759 HydrophobicContact CG2-CG 4.31Å; L736-K759 CarbonylContact C-O 3.55Å; L736-K759 VanDerWaalsContact CA-O 3.28Å; L736-K759 WeakPolarHBondContact CA-O 3.25Å; T737-K759 PolarHBondContact N-O 3.41Å; T737-K759 PolarHBondContact O-N 3.49Å; Y739-K759 HydrophobicContact CE1-CD 4.39Å; Y739-K759 PolarHBondContact OH-NZ 2.74Å; E757-K759 WeakPolarHBondContact OE1-CE 3.3Å; E757-K759 IonicContact OE1-NZ 2.62Å; E757-K759 PolarHBondContact OE1-NZ 3.28Å; E757-K759 IonicContact OE2-NZ 3.17Å; K759-Y761 HydrophobicContact CB-CD2 4.24Å; K759-Y761 HydrophobicContact CB-CE2 3.45Å; K759-Y761 VanDerWaalsContact CB-CE2 3.45Å; K759-Y761 WeakPolarHBondContact O-CD2 3.49Å
760L93.4Very high79.5Confident0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-91.9118.9178.3-176.766.6000109.8F650 V662 G663 F665 I682 F734 L812 I830 I832F650-L760 HydrophobicContact CD2-CD2 4.13Å; F650-L760 HydrophobicContact CE2-CD2 4.28Å; V662-L760 HydrophobicContact CB-CB 4.48Å; V662-L760 HydrophobicContact CB-CD2 4.22Å; V662-L760 HydrophobicContact CB-CG 4.19Å; V662-L760 WeakPolarHBondContact CB-O 3.13Å; V662-L760 HydrophobicContact CG1-CD2 4.21Å; V662-L760 PolarHBondContact N-O 2.79Å; G663-L760 PolarHBondContact N-O 2.83Å; G663-L760 PolarHBondContact O-N 3.49Å; F665-L760 HydrophobicContact CE1-CB 4.45Å; I682-L760 HydrophobicContact CD1-CD1 3.92Å; F734-L760 HydrophobicContact CB-CD1 4.04Å; F734-L760 HydrophobicContact CD1-CD1 4.46Å; F734-L760 HydrophobicContact CD1-CG 4.47Å; L760-L812 HydrophobicContact CD1-CD1 3.89Å; L760-L812 HydrophobicContact CD2-CD1 4.01Å; L760-I830 HydrophobicContact CD2-CD1 4.3Å; L760-I830 HydrophobicContact CD2-CG2 4.09Å; L760-I832 HydrophobicContact CD2-CD1 4.02Å
761Y92.2Very high81.1Confident69 Ų6939.7 Ų39.727%0.27121%0.206SC..EExtended strand (participates in β ladder)trans-113.3156.2177.5-63.8-88.6000111G659 Q660 L661 F734 I735 T737 K759G659-Y761 WeakPolarHBondContact O-CD1 3.25Å; Q660-Y761 WeakPolarHBondContact O-CA 3.24Å; L661-Y761 HydrophobicContact CB-CD1 4.25Å; L661-Y761 HydrophobicContact CB-CE1 4.01Å; L661-Y761 HydrophobicContact CD1-CD1 4.3Å; L661-Y761 HydrophobicContact CD1-CE1 3.92Å; L661-Y761 HydrophobicContact CD1-CE2 4.28Å; F734-Y761 CarbonylContact C-O 3.58Å; F734-Y761 VanDerWaalsContact CA-O 3.26Å; F734-Y761 WeakPolarHBondContact CA-O 3.38Å; I735-Y761 PolarHBondContact N-O 3.04Å; I735-Y761 PolarHBondContact O-N 3.49Å; T737-Y761 HydrophobicContact CG2-CE2 4.35Å; K759-Y761 HydrophobicContact CB-CD2 4.24Å; K759-Y761 HydrophobicContact CB-CE2 3.45Å; K759-Y761 VanDerWaalsContact CB-CE2 3.45Å; K759-Y761 WeakPolarHBondContact O-CD2 3.49Å
762I89.4Confident82Confident0 Ų036.5 Ų36.50%019%0.186CC..EExtended strand (participates in β ladder)trans-111.2127.3171.4-168.3177.2000111L652 N656 G659 Q660 V662 K733 F734 S764 I766L652-I762 HydrophobicContact CD2-CB 4.42Å; L652-I762 HydrophobicContact CD2-CD1 3.59Å; L652-I762 HydrophobicContact CD2-CG2 4.12Å; N656-I762 VanDerWaalsContact ND2-CG2 3.27Å; N656-I762 WeakPolarHBondContact ND2-CG2 3.44Å; G659-I762 WeakPolarHBondContact CA-O 3.49Å; G659-I762 PolarHBondContact N-O 2.78Å; Q660-I762 HydrophobicContact CB-CG2 4.16Å; Q660-I762 PolarHBondContact O-N 3.28Å; Q660-I762 VanDerWaalsContact O-N 3.1Å; V662-I762 HydrophobicContact CG2-CB 3.88Å; V662-I762 HydrophobicContact CG2-CG2 3.98Å; K733-I762 WeakPolarHBondContact O-CG1 3.19Å; F734-I762 HydrophobicContact CD1-CB 3.91Å; F734-I762 HydrophobicContact CD1-CD1 4.49Å; F734-I762 HydrophobicContact CD1-CG1 4.01Å; F734-I762 HydrophobicContact CE1-CB 3.84Å; F734-I762 HydrophobicContact CE1-CD1 3.74Å; F734-I762 HydrophobicContact CE1-CG1 3.75Å; F734-I762 HydrophobicContact CZ-CD1 3.79Å; F734-I762 HydrophobicContact CZ-CG1 4.14Å; I762-S764 VanDerWaalsContact CD1-O 3.22Å; I762-S764 WeakPolarHBondContact CD1-O 3.41Å; I762-S764 VanDerWaalsContact CG1-O 3.31Å; I762-S764 WeakPolarHBondContact CG1-O 3.16Å; I762-I766 HydrophobicContact CD1-CD1 3.49Å; I762-I766 VanDerWaalsContact CD1-CD1 3.49Å; I762-I766 HydrophobicContact CD1-CG1 3.77Å
763E84.8Confident82.3Confident86 Ų8637.3 Ų37.340%0.40219%0.188SC..SBendtrans-88.3-2.5-180-71.1-160.3115.100113.7I658 K733 I735I658-E763 WeakPolarHBondContact CG2-O 3.33Å; K733-E763 HydrophobicContact CB-CB 3.88Å; K733-E763 HydrophobicContact CB-CG 4.5Å; K733-E763 WeakPolarHBondContact CD-OE2 3.21Å; K733-E763 PolarHBondContact O-N 2.83Å; I735-E763 HydrophobicContact CB-CG 4.35Å; I735-E763 HydrophobicContact CD1-CG 3.83Å; I735-E763 VanDerWaalsContact CD1-OE1 3.29Å; I735-E763 WeakPolarHBondContact CD1-OE1 3.4Å; I735-E763 HydrophobicContact CG1-CG 3.91Å
764S82.1Confident81.9Confident28 Ų2837.1 Ų37.120%0.19619%0.186CC..SBendtrans-136.8150.4-169.756.30000111N656 S732 K733 I762N656-S764 PolarHBondContact ND2-O 2.78Å; S732-S764 WeakPolarHBondContact CA-OG 3.43Å; S732-S764 WeakPolarHBondContact CB-OG 3.35Å; K733-S764 PolarHBondContact N-OG 2.8Å; I762-S764 VanDerWaalsContact CD1-O 3.22Å; I762-S764 WeakPolarHBondContact CD1-O 3.41Å; I762-S764 VanDerWaalsContact CG1-O 3.31Å; I762-S764 WeakPolarHBondContact CG1-O 3.16Å
765I84.3Confident80.6Confident96 Ų9635.9 Ų35.949%0.49218%0.179SC..  trans-75.4134.7169-50.5-178.5000108.1I658I658-I765 HydrophobicContact CD1-CG1 4.33Å; I658-I765 HydrophobicContact CG1-CG1 3.98Å
766I81.6Confident79Confident2 Ų236.3 Ų36.31%0.0118%0.18CC..  trans-94137.6167.6-77.8173.7000109.4L652 E654 N655 N656 S732 F734 I762 L771 I810 I834L652-I766 HydrophobicContact CD2-CD1 3.99Å; E654-I766 HydrophobicContact CB-CG2 4.15Å; E654-I766 WeakPolarHBondContact CB-O 3.46Å; N655-I766 PolarHBondContact N-O 3.41Å; N656-I766 PolarHBondContact OD1-N 3.3Å; S732-I766 VanDerWaalsContact OG-CG1 3.25Å; S732-I766 WeakPolarHBondContact OG-CG1 3.36Å; F734-I766 HydrophobicContact CZ-CD1 4.28Å; I762-I766 HydrophobicContact CD1-CD1 3.49Å; I762-I766 VanDerWaalsContact CD1-CD1 3.49Å; I762-I766 HydrophobicContact CD1-CG1 3.77Å; I766-L771 HydrophobicContact CG2-CD1 3.76Å; I766-I810 HydrophobicContact CD1-CD1 3.78Å; I766-I834 HydrophobicContact CD1-CD1 3.6Å; I766-I834 HydrophobicContact CD1-CG1 4.48Å; I766-I834 HydrophobicContact CG2-CD1 4.39Å; I766-I834 HydrophobicContact CG2-CG1 4.44Å; I766-I834 HydrophobicContact CG2-CG2 3.76Å
767D81.2Confident77.1Confident61 Ų6138.2 Ų38.233%0.32620%0.196SC..  trans-121.6125163.2106.456.2000106.8N770 L771D767-N770 WeakPolarHBondContact OD1-CB 3.4Å; D767-N770 PolarHBondContact OD1-N 2.73Å; D767-N770 WeakPolarHBondContact OD2-CB 3.47Å; D767-N770 PolarHBondContact OD2-ND2 3.35Å; D767-L771 WeakPolarHBondContact O-CG 3.08Å; D767-L771 PolarHBondContact O-N 3.24Å
768R82.8Confident74.8Confident2 Ų243.4 Ų43.41%0.00822%0.216CC..Hα-helixtrans-79.3-35.5-163.2-172.8-169.169.188.25.9111.1E654 L771 I772 L806 P808 I834 D836 D877 D878E654-R768 HydrophobicContact CB-CB 4.33Å; E654-R768 HydrophobicContact CG-CB 4.49Å; E654-R768 VanDerWaalsContact OE1-CB 3.26Å; E654-R768 WeakPolarHBondContact OE1-CB 3.34Å; E654-R768 WeakPolarHBondContact OE1-CD 3.38Å; E654-R768 IonicContact OE1-NE 2.73Å; E654-R768 PolarHBondContact OE1-NE 2.77Å; E654-R768 WeakPolarHBondContact OE2-CA 3.47Å; E654-R768 WeakPolarHBondContact OE2-CB 3.48Å; E654-R768 PolarHBondContact OE2-N 2.83Å; R768-L771 WeakPolarHBondContact O-CB 3.4Å; R768-L771 PolarHBondContact O-N 3.37Å; R768-I772 HydrophobicContact CG-CD1 4.22Å; R768-I772 VanDerWaalsContact NH1-CD1 3.33Å; R768-I772 VanDerWaalsContact O-CG1 3.31Å; R768-I772 WeakPolarHBondContact O-CG1 3.14Å; R768-I772 PolarHBondContact O-N 3.42Å; R768-L806 PolarHBondContact NH1-O 3.47Å; R768-P808 HydrophobicContact CG-CG 3.57Å; R768-I834 HydrophobicContact CB-CG2 4.12Å; R768-I834 HydrophobicContact CG-CG2 3.93Å; R768-D836 IonicContact CZ-OD1 3.75Å; R768-D836 IonicContact NE-OD1 2.81Å; R768-D836 PolarHBondContact NE-OD1 2.81Å; R768-D836 IonicContact NH1-OD1 3.19Å; R768-D836 IonicContact NH2-OD1 3.4Å; R768-D836 PolarHBondContact NH2-OD1 3.33Å; R768-D877 PolarHBondContact NH2-O 2.81Å; R768-D877 VanDerWaalsContact NH2-O 3.12Å; R768-D878 VanDerWaalsContact NH2-C 3.35Å
769E78.8Confident72.6Confident20 Ų2047.1 Ų47.19%0.09324%0.239CC..Hα-helixtrans-67.4-43.1-177.7-70.155.2-108.900109.8L771 I772 M773 N840 D877E769-L771 VanDerWaalsContact C-N 3.34Å; E769-I772 CarbonylContact O-C 3.54Å; E769-I772 WeakPolarHBondContact O-CB 3.39Å; E769-I772 PolarHBondContact O-N 2.92Å; E769-I772 VanDerWaalsContact O-N 3.16Å; E769-M773 WeakPolarHBondContact O-CB 3.14Å; E769-M773 WeakPolarHBondContact O-CG 3.21Å; E769-M773 PolarHBondContact O-N 3.17Å; E769-N840 PolarHBondContact OE2-ND2 3.49Å; E769-D877 HydrophobicContact CG-CB 3.73Å
770N75.6Confident70.3Confident57 Ų5747.2 Ų47.231%0.30524%0.244SC..Hα-helixtrans-67.9-33.2175.6-169.6-1000111.7D767 M773 K774D767-N770 WeakPolarHBondContact OD1-CB 3.4Å; D767-N770 PolarHBondContact OD1-N 2.73Å; D767-N770 WeakPolarHBondContact OD2-CB 3.47Å; D767-N770 PolarHBondContact OD2-ND2 3.35Å; N770-M773 PolarHBondContact O-N 3.03Å; N770-K774 WeakPolarHBondContact O-CB 3.37Å; N770-K774 WeakPolarHBondContact O-CD 3.28Å; N770-K774 WeakPolarHBondContact O-CG 3.3Å; N770-K774 PolarHBondContact O-N 3.34Å; N770-K774 WeakPolarHBondContact OD1-CE 3.42Å
771L69.9Low68Low13 Ų1353.8 Ų53.87%0.06827%0.273CS..Hα-helixtrans-63.8-41.6169.1-70.8-176.4000111.5M691 I766 D767 R768 E769 S775 I810 I834M691-L771 HydrophobicContact CE-CB 3.73Å; M691-L771 HydrophobicContact CE-CD2 3.99Å; M691-L771 HydrophobicContact CE-CG 4.35Å; M691-L771 WeakPolarHBondContact CE-O 3.38Å; M691-L771 HydrophobicContact SD-CB 3.67Å; M691-L771 HydrophobicContact SD-CD1 3.81Å; M691-L771 HydrophobicContact SD-CD2 3.7Å; M691-L771 HydrophobicContact SD-CG 3.9Å; I766-L771 HydrophobicContact CG2-CD1 3.76Å; D767-L771 WeakPolarHBondContact O-CG 3.08Å; D767-L771 PolarHBondContact O-N 3.24Å; R768-L771 WeakPolarHBondContact O-CB 3.4Å; R768-L771 PolarHBondContact O-N 3.37Å; E769-L771 VanDerWaalsContact C-N 3.34Å; L771-S775 WeakPolarHBondContact O-CB 3.2Å; L771-S775 PolarHBondContact O-N 3.27Å; L771-S775 PolarHBondContact O-OG 2.68Å; L771-I810 HydrophobicContact CD1-CD1 4.42Å; L771-I834 HydrophobicContact CD1-CG1 4.44Å
772I66.3Low65.5Low3 Ų353.5 Ų53.52%0.01529%0.285CS..Hα-helixtrans-65.8-43.5174.8-64.7163.2000111.2L693 R768 E769 S775 T776 Y803 L806 P808L693-I772 HydrophobicContact CD2-CB 4.44Å; L693-I772 HydrophobicContact CD2-CG1 3.83Å; R768-I772 HydrophobicContact CG-CD1 4.22Å; R768-I772 VanDerWaalsContact NH1-CD1 3.33Å; R768-I772 VanDerWaalsContact O-CG1 3.31Å; R768-I772 WeakPolarHBondContact O-CG1 3.14Å; R768-I772 PolarHBondContact O-N 3.42Å; E769-I772 CarbonylContact O-C 3.54Å; E769-I772 WeakPolarHBondContact O-CB 3.39Å; E769-I772 PolarHBondContact O-N 2.92Å; E769-I772 VanDerWaalsContact O-N 3.16Å; I772-S775 PolarHBondContact O-OG 3.36Å; I772-S775 VanDerWaalsContact O-OG 3.08Å; I772-T776 WeakPolarHBondContact O-CB 3.2Å; I772-T776 WeakPolarHBondContact O-CG2 3.27Å; I772-T776 PolarHBondContact O-N 2.92Å; I772-T776 PolarHBondContact O-OG1 2.82Å; I772-Y803 HydrophobicContact CG2-CD1 3.74Å; I772-L806 HydrophobicContact CD1-CB 4.21Å; I772-L806 HydrophobicContact CG1-CB 4.45Å; I772-L806 HydrophobicContact CG2-CD1 3.82Å; I772-P808 HydrophobicContact CD1-CG 4.11Å; I772-P808 HydrophobicContact CG1-CG 3.8Å
773M63.9Low63.2Low123 Ų12357.9 Ų57.961%0.60631%0.308SS*.Hα-helixtrans-67.4-43177.4-73.9-149.3-71.300112.7E769 N770 T776 S777E769-M773 WeakPolarHBondContact O-CB 3.14Å; E769-M773 WeakPolarHBondContact O-CG 3.21Å; E769-M773 PolarHBondContact O-N 3.17Å; N770-M773 PolarHBondContact O-N 3.03Å; M773-T776 WeakPolarHBondContact CA-OG1 3.02Å; M773-T776 PolarHBondContact O-OG1 3.28Å; M773-T776 VanDerWaalsContact O-OG1 3.11Å; M773-S777 WeakPolarHBondContact O-CB 3.45Å; M773-S777 PolarHBondContact O-N 3.06Å
774K58.3Low61.3Low57 Ų5757.9 Ų57.925%0.24832%0.317CS..Hα-helixtrans-57.7-52.1173.8-78.1166.2178.5166.80110.6S730 N770 T776 S777 Y778S730-K774 PolarHBondContact O-NZ 3.26Å; N770-K774 WeakPolarHBondContact O-CB 3.37Å; N770-K774 WeakPolarHBondContact O-CD 3.28Å; N770-K774 WeakPolarHBondContact O-CG 3.3Å; N770-K774 PolarHBondContact O-N 3.34Å; N770-K774 WeakPolarHBondContact OD1-CE 3.42Å; K774-T776 PolarHBondContact O-N 3.16Å; K774-S777 WeakPolarHBondContact O-CB 3.2Å; K774-S777 PolarHBondContact O-N 2.78Å; K774-S777 PolarHBondContact O-OG 2.69Å; K774-Y778 WeakPolarHBondContact O-CD2 3.26Å; K774-Y778 PolarHBondContact O-N 3.5Å
775S53.5Low59.5Low14 Ų1461.9 Ų61.910%0.09834%0.341CS..Hα-helixtrans-65.8-39.3-177.550.30000113L693 L771 I772 S777 Y778 V779L693-S775 VanDerWaalsContact CD1-OG 3.3Å; L693-S775 WeakPolarHBondContact CD1-OG 3.41Å; L771-S775 WeakPolarHBondContact O-CB 3.2Å; L771-S775 PolarHBondContact O-N 3.27Å; L771-S775 PolarHBondContact O-OG 2.68Å; I772-S775 PolarHBondContact O-OG 3.36Å; I772-S775 VanDerWaalsContact O-OG 3.08Å; S775-S777 VanDerWaalsContact C-N 3.35Å; S775-S777 PolarHBondContact O-N 2.74Å; S775-Y778 WeakPolarHBondContact O-CB 3.24Å; S775-Y778 PolarHBondContact O-N 3.39Å; S775-V779 WeakPolarHBondContact O-CG2 3.36Å; S775-V779 PolarHBondContact O-N 2.98Å
776T52.1Low57.4Low42 Ų4264.7 Ų64.726%0.25835%0.346SS..Hα-helixtrans-67.6-31172.250.50000113.3L693 I772 M773 K774 Y778 V779 S780 Y803L693-T776 HydrophobicContact CD1-CG2 4.12Å; I772-T776 WeakPolarHBondContact O-CB 3.2Å; I772-T776 WeakPolarHBondContact O-CG2 3.27Å; I772-T776 PolarHBondContact O-N 2.92Å; I772-T776 PolarHBondContact O-OG1 2.82Å; M773-T776 WeakPolarHBondContact CA-OG1 3.02Å; M773-T776 PolarHBondContact O-OG1 3.28Å; M773-T776 VanDerWaalsContact O-OG1 3.11Å; K774-T776 PolarHBondContact O-N 3.16Å; T776-Y778 VanDerWaalsContact C-N 3.34Å; T776-V779 PolarHBondContact O-N 2.92Å; T776-S780 WeakPolarHBondContact O-CB 3.32Å; T776-S780 PolarHBondContact O-N 3.31Å; T776-S780 PolarHBondContact O-OG 3.03Å; T776-Y803 HydrophobicContact CG2-CE1 4.34Å
777S49.2Very low55.4Low60 Ų6072.4 Ų72.442%0.4238%0.382SS..Hα-helixtrans-66.2-34170.285.70000112.7M773 K774 S775 S780 K781M773-S777 WeakPolarHBondContact O-CB 3.45Å; M773-S777 PolarHBondContact O-N 3.06Å; K774-S777 WeakPolarHBondContact O-CB 3.2Å; K774-S777 PolarHBondContact O-N 2.78Å; K774-S777 PolarHBondContact O-OG 2.69Å; S775-S777 VanDerWaalsContact C-N 3.35Å; S775-S777 PolarHBondContact O-N 2.74Å; S777-S780 WeakPolarHBondContact CA-OG 3.46Å; S777-S780 PolarHBondContact O-OG 2.82Å; S777-K781 WeakPolarHBondContact O-CB 3.5Å; S777-K781 PolarHBondContact O-N 3.1Å
778Y45Very low53.4Low135 Ų13575.8 Ų75.853%0.52941%0.407SS..Hα-helixtrans-69.1-47.3172.4-92.9-88.9000111.5K774 S775 T776 K781 A782K774-Y778 WeakPolarHBondContact O-CD2 3.26Å; K774-Y778 PolarHBondContact O-N 3.5Å; S775-Y778 WeakPolarHBondContact O-CB 3.24Å; S775-Y778 PolarHBondContact O-N 3.39Å; T776-Y778 VanDerWaalsContact C-N 3.34Å; Y778-K781 PolarHBondContact O-N 2.79Å; Y778-A782 WeakPolarHBondContact O-CB 3.43Å; Y778-A782 PolarHBondContact O-N 3.4Å
779V46.8Very low51.2Low79 Ų7984 Ų8448%0.47944%0.443SS..Hα-helixtrans-61.9-46.7-178.9170.30000111.7S775 T776 K781 A782 L783S775-V779 WeakPolarHBondContact O-CG2 3.36Å; S775-V779 PolarHBondContact O-N 2.98Å; T776-V779 PolarHBondContact O-N 2.92Å; V779-K781 VanDerWaalsContact C-N 3.34Å; V779-K781 PolarHBondContact O-N 3.01Å; V779-A782 PolarHBondContact O-N 2.96Å; V779-L783 HydrophobicContact CG1-CD1 3.73Å; V779-L783 HydrophobicContact CG1-CG 4.46Å; V779-L783 WeakPolarHBondContact O-CB 3.3Å; V779-L783 VanDerWaalsContact O-CG 3.27Å; V779-L783 WeakPolarHBondContact O-CG 3.45Å; V779-L783 PolarHBondContact O-N 2.68Å
780S45.7Very low49.3Very low44 Ų4488.5 Ų88.531%0.30847%0.465SS..Hα-helixtrans-62.8-38.8177.850.80000112.8T776 S777 L783 S784T776-S780 WeakPolarHBondContact O-CB 3.32Å; T776-S780 PolarHBondContact O-N 3.31Å; T776-S780 PolarHBondContact O-OG 3.03Å; S777-S780 WeakPolarHBondContact CA-OG 3.46Å; S777-S780 PolarHBondContact O-OG 2.82Å; S780-L783 PolarHBondContact O-N 3.21Å; S780-S784 PolarHBondContact O-N 3.13Å; S780-S784 PolarHBondContact O-OG 3.45Å
781K44.2Very low47.6Very low139 Ų13992.1 Ų92.160%0.60448%0.484SS*.Hα-helixtrans-73-35.1179.4-158.5172-165.9174.80112.9S777 Y778 V779 S784 T785S777-K781 WeakPolarHBondContact O-CB 3.5Å; S777-K781 PolarHBondContact O-N 3.1Å; Y778-K781 PolarHBondContact O-N 2.79Å; V779-K781 VanDerWaalsContact C-N 3.34Å; V779-K781 PolarHBondContact O-N 3.01Å; K781-S784 WeakPolarHBondContact CA-OG 3.38Å; K781-S784 PolarHBondContact O-OG 3.27Å; K781-T785 PolarHBondContact O-OG1 2.84Å
782A39.4Very low46.3Very low62 Ų6298.4 Ų98.451%0.51251%0.513SS..Hα-helixtrans-66.4-45.717000000111.7Y778 V779 S784 T785Y778-A782 WeakPolarHBondContact O-CB 3.43Å; Y778-A782 PolarHBondContact O-N 3.4Å; V779-A782 PolarHBondContact O-N 2.96Å; A782-S784 VanDerWaalsContact C-N 3.34Å; A782-S784 PolarHBondContact O-N 2.68Å; A782-T785 WeakPolarHBondContact O-CB 3.32Å; A782-T785 PolarHBondContact O-N 3.16Å
783L42.8Very low45.1Very low92 Ų92106.3 Ų106.348%0.48254%0.543SS..Hα-helixtrans-62.9-38177.5-73.2167.3000112.3V779 S780 T785 Y786 L794V779-L783 HydrophobicContact CG1-CD1 3.73Å; V779-L783 HydrophobicContact CG1-CG 4.46Å; V779-L783 WeakPolarHBondContact O-CB 3.3Å; V779-L783 VanDerWaalsContact O-CG 3.27Å; V779-L783 WeakPolarHBondContact O-CG 3.45Å; V779-L783 PolarHBondContact O-N 2.68Å; S780-L783 PolarHBondContact O-N 3.21Å; L783-T785 PolarHBondContact O-N 3.07Å; L783-T785 VanDerWaalsContact O-N 3.11Å; L783-Y786 PolarHBondContact O-N 2.84Å; L783-L794 HydrophobicContact CD1-CD1 4.1Å
784S44.2Very low44Very low87 Ų87103 Ų10361%0.60853%0.527SS*.THydrogen-bonded Turntrans-67.6-4.4174.262.40000115.1S780 K781 A782S780-S784 PolarHBondContact O-N 3.13Å; S780-S784 PolarHBondContact O-OG 3.45Å; K781-S784 WeakPolarHBondContact CA-OG 3.38Å; K781-S784 PolarHBondContact O-OG 3.27Å; A782-S784 VanDerWaalsContact C-N 3.34Å; A782-S784 PolarHBondContact O-N 2.68Å
785T44.6Very low43.1Very low111 Ų111103 Ų10368%0.68153%0.534SS*.THydrogen-bonded Turntrans-96.4-12.9176.9-50.70000112K781 A782 L783K781-T785 PolarHBondContact O-OG1 2.84Å; A782-T785 WeakPolarHBondContact O-CB 3.32Å; A782-T785 PolarHBondContact O-N 3.16Å; L783-T785 PolarHBondContact O-N 3.07Å; L783-T785 VanDerWaalsContact O-N 3.11Å
786Y38.7Very low42.5Very low156 Ų156107.5 Ų107.561%0.61255%0.553SS**SBendtrans-84.9169.5167.5-99.2-94.9000111.9L716 L783L716-Y786 HydrophobicContact CD1-CE2 3.85Å; L716-Y786 HydrophobicContact CD2-CE2 3.64Å; L716-Y786 HydrophobicContact CG-CE2 4.41Å; L783-Y786 PolarHBondContact O-N 2.84Å
787Q41.2Very low41.9Very low163 Ų163111.8 Ų111.876%0.76257%0.569SS**SBendtrans-50.1152179.1-77.2-172.9-29.700113.1F789Q787-F789 VanDerWaalsContact C-N 3.31Å; Q787-F789 PolarHBondContact O-N 2.82Å
788P37.7Very low41.7Very low132 Ų132112.3 Ų112.386%0.85757%0.566SS**  trans-68.182.1-170.529.1-37.4000112.9
789F36.8Very low41.5Very low174 Ų174112.3 Ų112.376%0.76358%0.575SS**  trans-63144.2160.2-96.5-97.8000109.6Q787 N791Q787-F789 VanDerWaalsContact C-N 3.31Å; Q787-F789 PolarHBondContact O-N 2.82Å; F789-N791 PolarHBondContact O-N 3.35Å
790E39.7Very low41.3Very low116 Ų116116.1 Ų116.154%0.54259%0.586SS.*  trans-50.7111.4-173.1-60.5170.5152.500111.8E792 R793 L794E790-E792 PolarHBondContact O-N 3.33Å; E790-R793 HydrophobicContact CB-CB 4.43Å; E790-R793 HydrophobicContact CB-CG 4.28Å; E790-R793 PolarHBondContact O-N 2.73Å; E790-R793 WeakPolarHBondContact OE2-CD 3.38Å; E790-R793 IonicContact OE2-CZ 2.72Å; E790-R793 IonicContact OE2-NE 2.88Å; E790-R793 PolarHBondContact OE2-NE 2.75Å; E790-R793 IonicContact OE2-NH2 2.6Å; E790-L794 PolarHBondContact O-N 3.42Å
791N40.4Very low41.2Very low132 Ų132116.4 Ų116.471%0.70659%0.585SS**Hα-helixtrans-53.5-29.3-179.1-88-29.7000112.9F789 S795F789-N791 PolarHBondContact O-N 3.35Å; N791-S795 WeakPolarHBondContact O-CB 3.38Å; N791-S795 PolarHBondContact O-N 2.89Å; N791-S795 PolarHBondContact O-OG 2.82Å
792E42Very low41.4Very low146 Ų146114.2 Ų114.268%0.68258%0.58SS**Hα-helixtrans-66-38.5174.8-60.6-169.7146.500112.9E790 S795 Q796E790-E792 PolarHBondContact O-N 3.33Å; E792-S795 WeakPolarHBondContact CA-OG 3.34Å; E792-S795 PolarHBondContact O-OG 2.83Å; E792-Q796 VanDerWaalsContact O-CB 3.25Å; E792-Q796 WeakPolarHBondContact O-CB 3.31Å; E792-Q796 WeakPolarHBondContact O-CG 3.27Å; E792-Q796 PolarHBondContact O-N 3.32Å
793R41.9Very low42Very low169 Ų169115.1 Ų115.164%0.63857%0.571SS**Hα-helixtrans-72.2-38.7175.5-70.9-168.7-174.6-155.7-5.3112E790 Q796 F797E790-R793 HydrophobicContact CB-CB 4.43Å; E790-R793 HydrophobicContact CB-CG 4.28Å; E790-R793 PolarHBondContact O-N 2.73Å; E790-R793 WeakPolarHBondContact OE2-CD 3.38Å; E790-R793 IonicContact OE2-CZ 2.72Å; E790-R793 IonicContact OE2-NE 2.88Å; E790-R793 PolarHBondContact OE2-NE 2.75Å; E790-R793 IonicContact OE2-NH2 2.6Å; R793-Q796 PolarHBondContact O-N 2.74Å; R793-F797 PolarHBondContact O-N 2.82Å
794L39.4Very low42.4Very low54 Ų54111.7 Ų111.728%0.28356%0.555SS.*Hα-helixtrans-66.7-45.3179.6-163.771.3000111.1L783 E790 F797 I798L783-L794 HydrophobicContact CD1-CD1 4.1Å; E790-L794 PolarHBondContact O-N 3.42Å; L794-F797 WeakPolarHBondContact O-CB 3.36Å; L794-F797 PolarHBondContact O-N 2.75Å; L794-F797 VanDerWaalsContact O-N 3.13Å; L794-I798 HydrophobicContact CG-CD1 4.22Å; L794-I798 WeakPolarHBondContact O-CG1 3.43Å; L794-I798 PolarHBondContact O-N 3.45Å
795S40.1Very low42.8Very low56 Ų56113.3 Ų113.339%0.39255%0.554SS.*Hα-helixtrans-66.4-36.8174.353.50000112.9N791 E792 F797 I798 N799N791-S795 WeakPolarHBondContact O-CB 3.38Å; N791-S795 PolarHBondContact O-N 2.89Å; N791-S795 PolarHBondContact O-OG 2.82Å; E792-S795 WeakPolarHBondContact CA-OG 3.34Å; E792-S795 PolarHBondContact O-OG 2.83Å; S795-F797 PolarHBondContact O-N 3.32Å; S795-I798 PolarHBondContact O-N 3.4Å; S795-N799 VanDerWaalsContact O-CB 3.31Å; S795-N799 WeakPolarHBondContact O-CB 3.18Å; S795-N799 VanDerWaalsContact O-CG 3.29Å; S795-N799 PolarHBondContact O-N 2.93Å
796Q41.4Very low43.5Very low108 Ų108109 Ų10951%0.50553%0.526SS..Hα-helixtrans-65.1-24.4170.3-77.5178.334.900113.7E792 R793 K800E792-Q796 VanDerWaalsContact O-CB 3.25Å; E792-Q796 WeakPolarHBondContact O-CB 3.31Å; E792-Q796 WeakPolarHBondContact O-CG 3.27Å; E792-Q796 PolarHBondContact O-N 3.32Å; R793-Q796 PolarHBondContact O-N 2.74Å; Q796-K800 WeakPolarHBondContact O-CB 3.49Å; Q796-K800 WeakPolarHBondContact O-CD 3.37Å; Q796-K800 VanDerWaalsContact O-CG 3.22Å; Q796-K800 WeakPolarHBondContact O-CG 3.26Å
797F39.2Very low44.8Very low133 Ų133103.9 Ų103.958%0.58351%0.512SS*.Hα-helixtrans-78.3-48.5174.1-123.3-90.2000111.5R793 L794 S795 N799 K800 T801R793-F797 PolarHBondContact O-N 2.82Å; L794-F797 WeakPolarHBondContact O-CB 3.36Å; L794-F797 PolarHBondContact O-N 2.75Å; L794-F797 VanDerWaalsContact O-N 3.13Å; S795-F797 PolarHBondContact O-N 3.32Å; F797-N799 VanDerWaalsContact C-N 3.26Å; F797-N799 PolarHBondContact O-N 2.77Å; F797-K800 PolarHBondContact O-N 3.46Å; F797-T801 PolarHBondContact O-N 3.32Å; F797-T801 VanDerWaalsContact O-N 3.12Å
798I43.9Very low46.2Very low70 Ų7096.1 Ų96.136%0.35948%0.476SS..Hα-helixtrans-60.8-35.3178.2-66.3163.8000111.4L794 S795 K800 T801 Y803L794-I798 HydrophobicContact CG-CD1 4.22Å; L794-I798 WeakPolarHBondContact O-CG1 3.43Å; L794-I798 PolarHBondContact O-N 3.45Å; S795-I798 PolarHBondContact O-N 3.4Å; I798-K800 VanDerWaalsContact C-N 3.28Å; I798-K800 PolarHBondContact O-N 3.34Å; I798-T801 PolarHBondContact O-OG1 2.78Å; I798-T801 VanDerWaalsContact O-OG1 3.11Å; I798-Y803 PolarHBondContact O-OH 3.18Å
799N42Very low47.8Very low135 Ų13590 Ų9072%0.72244%0.436SS*.THydrogen-bonded Turntrans-83.95.2175.9-65.5-11.2000114S795 F797S795-N799 VanDerWaalsContact O-CB 3.31Å; S795-N799 WeakPolarHBondContact O-CB 3.18Å; S795-N799 VanDerWaalsContact O-CG 3.29Å; S795-N799 PolarHBondContact O-N 2.93Å; F797-N799 VanDerWaalsContact C-N 3.26Å; F797-N799 PolarHBondContact O-N 2.77Å
800K42.5Very low49.6Very low160 Ų16082.6 Ų82.670%0.69640%0.404SS*.THydrogen-bonded Turntrans-121.7-10.2177.2-79.6-178.7179.5172.70114.5Q796 F797 I798 N802Q796-K800 WeakPolarHBondContact O-CB 3.49Å; Q796-K800 WeakPolarHBondContact O-CD 3.37Å; Q796-K800 VanDerWaalsContact O-CG 3.22Å; Q796-K800 WeakPolarHBondContact O-CG 3.26Å; F797-K800 PolarHBondContact O-N 3.46Å; I798-K800 VanDerWaalsContact C-N 3.28Å; I798-K800 PolarHBondContact O-N 3.34Å; K800-N802 PolarHBondContact O-N 3.24Å
801T42.1Very low51.2Low50 Ų5078.7 Ų78.731%0.30739%0.385SS..  trans-69.4101.9169.240.60000109.6F797 I798 Y803F797-T801 PolarHBondContact O-N 3.32Å; F797-T801 VanDerWaalsContact O-N 3.12Å; I798-T801 PolarHBondContact O-OG1 2.78Å; I798-T801 VanDerWaalsContact O-OG1 3.11Å; T801-Y803 VanDerWaalsContact O-CD2 3.24Å; T801-Y803 WeakPolarHBondContact O-CD2 3.41Å; T801-Y803 VanDerWaalsContact O-CE2 3.3Å; T801-Y803 WeakPolarHBondContact O-CE2 3.41Å; T801-Y803 PolarHBondContact O-N 3.44Å
802N50.2Low53.2Low93 Ų9373.3 Ų73.350%0.49736%0.356SS..  trans-69.999.4172.8-172.422000109.3K800 S804 M805K800-N802 PolarHBondContact O-N 3.24Å; N802-S804 PolarHBondContact ND2-OG 3.38Å; N802-S804 PolarHBondContact O-N 3.25Å; N802-S804 PolarHBondContact OD1-OG 2.71Å; N802-M805 PolarHBondContact O-N 2.84Å
803Y50.3Low55.2Low81 Ų8168.2 Ų68.232%0.31833%0.333SS..G310 helixtrans-58.1-33.5-171.4-60.4-83.8000112.7I772 T776 I798 T801 M805 L806I772-Y803 HydrophobicContact CG2-CD1 3.74Å; T776-Y803 HydrophobicContact CG2-CE1 4.34Å; I798-Y803 PolarHBondContact O-OH 3.18Å; T801-Y803 VanDerWaalsContact O-CD2 3.24Å; T801-Y803 WeakPolarHBondContact O-CD2 3.41Å; T801-Y803 VanDerWaalsContact O-CE2 3.3Å; T801-Y803 WeakPolarHBondContact O-CE2 3.41Å; T801-Y803 PolarHBondContact O-N 3.44Å; Y803-M805 PolarHBondContact O-N 3.47Å; Y803-L806 HydrophobicContact CD1-CD1 4.41Å; Y803-L806 WeakPolarHBondContact O-CB 3.22Å; Y803-L806 PolarHBondContact O-N 2.89Å
804S51.5Low57.5Low19 Ų1960.2 Ų60.213%0.13330%0.303CS..G310 helixtrans-58.3-5.8172.664.70000116.1N802 D878 A879 G880N802-S804 PolarHBondContact ND2-OG 3.38Å; N802-S804 PolarHBondContact O-N 3.25Å; N802-S804 PolarHBondContact OD1-OG 2.71Å; S804-D878 WeakPolarHBondContact CA-O 3.16Å; S804-D878 WeakPolarHBondContact CB-O 3.32Å; S804-A879 WeakPolarHBondContact O-CA 3.45Å; S804-A879 WeakPolarHBondContact O-CB 3.45Å; S804-G880 PolarHBondContact O-N 3.38Å
805M53.6Low60Low122 Ų12259.2 Ų59.260%0.60130%0.297SS*.G310 helixtrans-106.27.1174.6-66.9-166.4162.800113.9T695 N802 Y803T695-M805 WeakPolarHBondContact CB-O 3.26Å; T695-M805 WeakPolarHBondContact CG2-O 3.23Å; T695-M805 PolarHBondContact OG1-O 3.47Å; N802-M805 PolarHBondContact O-N 2.84Å; Y803-M805 PolarHBondContact O-N 3.47Å
806L58Low62.5Low19 Ų1956.6 Ų56.610%0.09928%0.278CS..  trans-103.4109.7-178.7-58.5173.6000110.8L693 R768 I772 Y803 P808L693-L806 HydrophobicContact CB-CD2 4.42Å; L693-L806 HydrophobicContact CD1-CD1 4.2Å; L693-L806 HydrophobicContact CD2-CB 4.34Å; R768-L806 PolarHBondContact NH1-O 3.47Å; I772-L806 HydrophobicContact CD1-CB 4.21Å; I772-L806 HydrophobicContact CG1-CB 4.45Å; I772-L806 HydrophobicContact CG2-CD1 3.82Å; Y803-L806 HydrophobicContact CD1-CD1 4.41Å; Y803-L806 WeakPolarHBondContact O-CB 3.22Å; Y803-L806 PolarHBondContact O-N 2.89Å; L806-P808 WeakPolarHBondContact O-CD 3.48Å
807T67.2Low64.9Low50 Ų5052.1 Ų52.131%0.30726%0.258SS..  trans-86.3116.7163.847.10000109T694T694-T807 PolarHBondContact OG1-O 3.19Å
808P70Confident67.5Low0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-68.6138.3173.1-1934.1000109.9M691 L693 R768 I772 L806 I834M691-P808 HydrophobicContact SD-CB 4.49Å; L693-P808 HydrophobicContact CD2-CB 4.47Å; L693-P808 HydrophobicContact CD2-CG 4.41Å; R768-P808 HydrophobicContact CG-CG 3.57Å; I772-P808 HydrophobicContact CD1-CG 4.11Å; I772-P808 HydrophobicContact CG1-CG 3.8Å; L806-P808 WeakPolarHBondContact O-CD 3.48Å; P808-I834 HydrophobicContact CB-CB 4.2Å; P808-I834 HydrophobicContact CB-CG1 4.2Å; P808-I834 HydrophobicContact CG-CB 4.4Å; P808-I834 PolarHBondContact O-N 2.84Å
809I70.4Confident69.7Low3 Ų346 Ų462%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-122.8119.6169.9-60.7-167000108.9M691 Y692 T694 F811 R831 I832 Q833M691-I809 WeakPolarHBondContact CA-O 3.02Å; Y692-I809 PolarHBondContact N-O 2.88Å; Y692-I809 VanDerWaalsContact N-O 3.08Å; Y692-I809 PolarHBondContact O-N 2.98Å; T694-I809 HydrophobicContact CG2-CB 4.34Å; T694-I809 HydrophobicContact CG2-CD1 3.98Å; T694-I809 HydrophobicContact CG2-CG1 4.25Å; T694-I809 WeakPolarHBondContact OG1-CD1 3.41Å; T694-I809 WeakPolarHBondContact OG1-CG1 3.26Å; I809-F811 HydrophobicContact CB-CE2 3.92Å; I809-F811 HydrophobicContact CB-CZ 4.45Å; I809-F811 HydrophobicContact CG2-CD2 3.83Å; I809-F811 HydrophobicContact CG2-CE1 4.26Å; I809-F811 HydrophobicContact CG2-CE2 3.39Å; I809-F811 HydrophobicContact CG2-CG 4.44Å; I809-F811 HydrophobicContact CG2-CZ 3.66Å; I809-R831 HydrophobicContact CD1-CG 4.43Å; I809-R831 HydrophobicContact CG2-CG 3.4Å; I809-I832 WeakPolarHBondContact CA-O 3.38Å; I809-Q833 HydrophobicContact CG1-CB 4.4Å; I809-Q833 HydrophobicContact CG1-CG 4.48Å
810I76Confident71.8Confident19 Ų1940 Ų4010%0.09720%0.198CC..EExtended strand (participates in β ladder)trans-86.3128.6168.8-59.9177.9000107.2M691 F734 I766 L771 L812 I832 I834M691-I810 HydrophobicContact CG-CG1 4.32Å; M691-I810 HydrophobicContact SD-CG1 4.36Å; F734-I810 HydrophobicContact CE2-CD1 4.06Å; F734-I810 HydrophobicContact CE2-CG2 4.09Å; F734-I810 HydrophobicContact CZ-CD1 4.02Å; I766-I810 HydrophobicContact CD1-CD1 3.78Å; L771-I810 HydrophobicContact CD1-CD1 4.42Å; I810-L812 HydrophobicContact CG2-CD2 3.99Å; I810-L812 HydrophobicContact CG2-CG 4.48Å; I810-I832 HydrophobicContact CB-CB 4.35Å; I810-I832 PolarHBondContact N-O 3.08Å; I810-I832 PolarHBondContact O-N 2.67Å; I810-I834 HydrophobicContact CD1-CD1 4.08Å; I810-I834 HydrophobicContact CD1-CG1 4.39Å; I810-I834 HydrophobicContact CG1-CD1 4.46Å; I810-I834 HydrophobicContact CG1-CG1 4.44Å
811F73.9Confident73.8Confident33 Ų3339.4 Ų39.415%0.14520%0.201CC..EExtended strand (participates in β ladder)trans-106.5118.8171.1-67.1-96000109.2N690 Y692 I809 Q829 I830 R831N690-F811 HydrophobicContact CB-CB 4.28Å; N690-F811 PolarHBondContact O-N 3.47Å; Y692-F811 AromaticContact CD2-CD2 3.74Å; Y692-F811 HydrophobicContact CD2-CD2 3.74Å; Y692-F811 AromaticContact CD2-CE2 3.88Å; Y692-F811 HydrophobicContact CD2-CE2 3.88Å; Y692-F811 HydrophobicContact CE2-CD2 4.48Å; Y692-F811 HydrophobicContact CG-CE2 4.42Å; I809-F811 HydrophobicContact CB-CE2 3.92Å; I809-F811 HydrophobicContact CB-CZ 4.45Å; I809-F811 HydrophobicContact CG2-CD2 3.83Å; I809-F811 HydrophobicContact CG2-CE1 4.26Å; I809-F811 HydrophobicContact CG2-CE2 3.39Å; I809-F811 HydrophobicContact CG2-CG 4.44Å; I809-F811 HydrophobicContact CG2-CZ 3.66Å; F811-Q829 VanDerWaalsContact CD1-CD 3.48Å; F811-Q829 HydrophobicContact CD1-CG 3.79Å; F811-I830 WeakPolarHBondContact CA-O 3.26Å; F811-R831 HydrophobicContact CD1-CB 4.46Å; F811-R831 HydrophobicContact CD1-CG 4.26Å; F811-R831 HydrophobicContact CE1-CB 4.31Å; F811-R831 HydrophobicContact CE1-CG 3.77Å; F811-R831 HydrophobicContact CZ-CG 4.14Å
812L81.6Confident76Confident19 Ų1939.9 Ų39.910%0.09921%0.205CC..EExtended strand (participates in β ladder)trans-98.2143.7165.8-52.5-178.7000108.4I682 F734 L760 I810 I830 I832I682-L812 HydrophobicContact CD1-CD1 4.3Å; I682-L812 HydrophobicContact CG2-CD2 4.44Å; F734-L812 HydrophobicContact CB-CD1 3.85Å; F734-L812 HydrophobicContact CD1-CD1 4.22Å; F734-L812 HydrophobicContact CD2-CD1 4.01Å; F734-L812 HydrophobicContact CD2-CD2 3.89Å; F734-L812 HydrophobicContact CD2-CG 4.49Å; F734-L812 HydrophobicContact CE2-CD2 4.34Å; F734-L812 HydrophobicContact CG-CD1 3.75Å; F734-L812 HydrophobicContact CG-CD2 4.46Å; L760-L812 HydrophobicContact CD1-CD1 3.89Å; L760-L812 HydrophobicContact CD2-CD1 4.01Å; I810-L812 HydrophobicContact CG2-CD2 3.99Å; I810-L812 HydrophobicContact CG2-CG 4.48Å; L812-I830 HydrophobicContact CB-CB 4.35Å; L812-I830 PolarHBondContact N-O 3.19Å; L812-I830 PolarHBondContact O-N 3Å; L812-I832 HydrophobicContact CD1-CD1 3.78Å; L812-I832 HydrophobicContact CG-CD1 4.03Å
813I84.6Confident77.9Confident40 Ų4040 Ų4021%0.20520%0.201CC..EExtended strand (participates in β ladder)trans-104.7121.3162.2-57.4173.5000105.3E683 N827E683-I813 HydrophobicContact CB-CB 4.13Å; E683-I813 PolarHBondContact N-O 2.79Å; E683-I813 WeakPolarHBondContact OE2-CD1 3.38Å; E683-I813 WeakPolarHBondContact OE2-CG2 3.32Å; I813-N827 HydrophobicContact CG2-CB 3.86Å
814V89.7Confident79.9Confident1 Ų138.2 Ų38.21%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-99.6134.9168.6176.90000106.8Y643 F665 I680 Y681 I682 N827 V828 I830Y643-V814 PolarHBondContact OH-O 2.88Å; F665-V814 HydrophobicContact CE2-CG1 4.31Å; F665-V814 HydrophobicContact CZ-CB 4.46Å; F665-V814 HydrophobicContact CZ-CG1 4.07Å; F665-V814 HydrophobicContact CZ-CG2 4.16Å; I680-V814 HydrophobicContact CG2-CG1 3.58Å; Y681-V814 CarbonylContact O-C 3.57Å; Y681-V814 WeakPolarHBondContact O-CA 3.21Å; Y681-V814 WeakPolarHBondContact O-CG1 3.2Å; I682-V814 HydrophobicContact CG1-CG2 3.98Å; V814-N827 CarbonylContact O-C 3.52Å; V814-N827 WeakPolarHBondContact O-CA 3.38Å; V814-N827 WeakPolarHBondContact O-CB 3.39Å; V814-V828 HydrophobicContact CB-CG1 4.14Å; V814-V828 PolarHBondContact N-O 3.07Å; V814-V828 PolarHBondContact O-N 3.17Å; V814-I830 HydrophobicContact CB-CD1 4.43Å; V814-I830 HydrophobicContact CG2-CD1 3.53Å; V814-I830 HydrophobicContact CG2-CG1 4.18Å
815H91.5Very high81.8Confident33 Ų3340.3 Ų40.315%0.15321%0.211CC..EExtended strand (participates in β ladder)trans-103.2139.5170.5-66.6-109.4000108.1Y643 I680 Y681 E683 E826Y643-H815 VanDerWaalsContact OH-C 3.22Å; I680-H815 WeakPolarHBondContact CA-O 3.26Å; I680-H815 WeakPolarHBondContact CG2-O 3.39Å; Y681-H815 HydrophobicContact CD2-CB 4.21Å; Y681-H815 HydrophobicContact CE1-CB 4.01Å; Y681-H815 HydrophobicContact CE2-CB 3.65Å; Y681-H815 AromaticContact CE2-CG 3.85Å; Y681-H815 PolarHBondContact N-O 2.96Å; Y681-H815 PolarHBondContact O-N 2.85Å; E683-H815 IonicContact OE2-CD2 3.63Å; E683-H815 IonicContact OE2-CE1 2.71Å; E683-H815 IonicContact OE2-NE2 2.61Å; E683-H815 PolarHBondContact OE2-NE2 3.16Å; H815-E826 WeakPolarHBondContact CA-O 3.39Å
816A92.8Very high83.6Confident0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-117.6120.1165.800000106.3P641 Y643 V667 I680 S825 E826P641-A816 HydrophobicContact CB-CB 3.7Å; P641-A816 HydrophobicContact CG-CB 4.41Å; Y643-A816 HydrophobicContact CE1-CB 4.42Å; Y643-A816 HydrophobicContact CE2-CB 4.24Å; Y643-A816 WeakPolarHBondContact OH-CB 3.48Å; Y643-A816 PolarHBondContact OH-N 3.21Å; V667-A816 HydrophobicContact CG1-CB 3.79Å; I680-A816 HydrophobicContact CG1-CB 4.31Å; A816-S825 VanDerWaalsContact O-CA 3.26Å; A816-S825 WeakPolarHBondContact O-CA 3.01Å; A816-S825 WeakPolarHBondContact O-CB 3.19Å; A816-E826 PolarHBondContact N-O 3.18Å; A816-E826 PolarHBondContact O-N 2.64Å
817N92.5Very high85.2Confident15 Ų1541.5 Ų41.58%0.0822%0.218CC..EExtended strand (participates in β ladder)trans-116139.1-179.5-78.16.5000108.3L678 E679 Y681 K823 S825L678-N817 CarbonylContact C-O 3.59Å; L678-N817 WeakPolarHBondContact CA-O 3.21Å; E679-N817 HydrophobicContact CB-CB 4.21Å; E679-N817 PolarHBondContact N-O 3.02Å; E679-N817 WeakPolarHBondContact O-CB 3.2Å; E679-N817 PolarHBondContact O-N 3.04Å; Y681-N817 HydrophobicContact CE1-CB 4.48Å; Y681-N817 VanDerWaalsContact CE1-ND2 3.33Å; Y681-N817 WeakPolarHBondContact CE1-ND2 3.45Å; Y681-N817 PolarHBondContact OH-ND2 3.29Å; Y681-N817 VanDerWaalsContact OH-ND2 3.09Å; N817-K823 WeakPolarHBondContact ND2-CE 3.25Å; N817-S825 WeakPolarHBondContact OD1-CB 3.22Å
818D93Very high86.3Confident0 Ų039.2 Ų39.20%020%0.204CC..  trans-75.8-171.4165.266.352000112.5N637 N675 G820 K823 L824N637-D818 PolarHBondContact ND2-OD2 2.87Å; N637-D818 PolarHBondContact OD1-OD2 2.79Å; N675-D818 WeakPolarHBondContact O-CB 3.3Å; D818-G820 PolarHBondContact OD1-N 2.96Å; D818-K823 WeakPolarHBondContact O-CE 3.49Å; D818-K823 PolarHBondContact O-NZ 3Å; D818-K823 VanDerWaalsContact OD1-CA 3.31Å; D818-K823 WeakPolarHBondContact OD1-CA 3.43Å; D818-K823 WeakPolarHBondContact OD1-CG 3.21Å; D818-L824 PolarHBondContact N-O 3.03Å; D818-L824 VanDerWaalsContact OD2-CA 3.23Å; D818-L824 WeakPolarHBondContact OD2-CA 3.3Å; D818-L824 VanDerWaalsContact OD2-CB 3.23Å; D818-L824 WeakPolarHBondContact OD2-CB 3.36Å; D818-L824 PolarHBondContact OD2-N 3.26Å
819K90.5Very high87.1Confident75 Ų7543.5 Ų43.533%0.32622%0.224SC..SBendtrans-125.521.7168.6-66.6168.4-167.7145.30112.4K674 E677K674-K819 CarbonylContact O-C 3.55Å; K674-K819 WeakPolarHBondContact O-CA 3.45Å; K674-K819 PolarHBondContact O-N 2.97Å; K674-K819 VanDerWaalsContact O-N 3.15Å; E677-K819 HydrophobicContact CB-CD 4.12Å; E677-K819 HydrophobicContact CG-CD 4.06Å; E677-K819 WeakPolarHBondContact O-CD 3.43Å; E677-K819 WeakPolarHBondContact O-CE 3.22Å; E677-K819 WeakPolarHBondContact O-CG 3.02Å; E677-K819 PolarHBondContact O-NZ 3.39Å; E677-K819 VanDerWaalsContact O-NZ 3.15Å; E677-K819 IonicContact OE1-NZ 2.65Å; E677-K819 PolarHBondContact OE1-NZ 3.01Å
820G86.5Confident87.9Confident7 Ų743.4 Ų43.47%0.07222%0.223CC..SBendtrans-88.1-168.9177.100000113.6N637 K674 N675 D818 K823N637-G820 VanDerWaalsContact OD1-CA 3.23Å; N637-G820 WeakPolarHBondContact OD1-CA 2.98Å; K674-G820 PolarHBondContact O-N 3.12Å; N675-G820 WeakPolarHBondContact OD1-CA 3.45Å; D818-G820 PolarHBondContact OD1-N 2.96Å; G820-K823 PolarHBondContact O-N 2.94Å
821I84.4Confident88.2Confident149 Ų14946.2 Ų46.276%0.76423%0.232SC*.SBendtrans-145.8111.5-174-55.4179.8000108
822P88.5Confident88.7Confident60 Ų6044.6 Ų44.639%0.3923%0.226SC..SBendcis-67.1140-0.730.5-36000111.9Y636 N637 L824Y636-P822 VanDerWaalsContact OH-CD 3.27Å; Y636-P822 WeakPolarHBondContact OH-CD 3.38Å; N637-P822 PolarHBondContact ND2-O 3.11Å; N637-P822 VanDerWaalsContact ND2-O 3.15Å; P822-L824 PolarHBondContact O-N 3.38Å
823K89.5Confident88.8Confident96 Ų9645.9 Ų45.942%0.41723%0.231SC..  trans-70.9115.3176.5173.2160.9174.5131.80110.4E679 N817 D818 G820E679-K823 IonicContact OE2-NZ 2.72Å; E679-K823 PolarHBondContact OE2-NZ 2.87Å; N817-K823 WeakPolarHBondContact ND2-CE 3.25Å; D818-K823 WeakPolarHBondContact O-CE 3.49Å; D818-K823 PolarHBondContact O-NZ 3Å; D818-K823 VanDerWaalsContact OD1-CA 3.31Å; D818-K823 WeakPolarHBondContact OD1-CA 3.43Å; D818-K823 WeakPolarHBondContact OD1-CG 3.21Å; G820-K823 PolarHBondContact O-N 2.94Å
824L92.2Very high88.8Confident42 Ų4244 Ų4422%0.2222%0.221CC..  trans-90.7163.5171.1-57.2175.1000110.4N637 D818 P822N637-L824 WeakPolarHBondContact ND2-CD1 3.44Å; N637-L824 VanDerWaalsContact ND2-CG 3.31Å; N637-L824 WeakPolarHBondContact ND2-CG 3.33Å; D818-L824 PolarHBondContact N-O 3.03Å; D818-L824 VanDerWaalsContact OD2-CA 3.23Å; D818-L824 WeakPolarHBondContact OD2-CA 3.3Å; D818-L824 VanDerWaalsContact OD2-CB 3.23Å; D818-L824 WeakPolarHBondContact OD2-CB 3.36Å; D818-L824 PolarHBondContact OD2-N 3.26Å; P822-L824 PolarHBondContact O-N 3.38Å
825S91.4Very high88.6Confident63 Ų6346.5 Ų46.544%0.44123%0.234SC..EExtended strand (participates in β ladder)trans-158.5154.2174.2610000111.5A816 N817A816-S825 VanDerWaalsContact O-CA 3.26Å; A816-S825 WeakPolarHBondContact O-CA 3.01Å; A816-S825 WeakPolarHBondContact O-CB 3.19Å; N817-S825 WeakPolarHBondContact OD1-CB 3.22Å
826E92.8Very high88.3Confident83 Ų8346.4 Ų46.439%0.38824%0.235SC..EExtended strand (participates in β ladder)trans-134160.6170.2-171.651.1-78.400109.3P641 Y643 H815 A816P641-E826 WeakPolarHBondContact O-CB 3.35Å; Y643-E826 HydrophobicContact CD2-CB 4.47Å; Y643-E826 HydrophobicContact CD2-CG 4.01Å; Y643-E826 HydrophobicContact CE2-CB 4.12Å; Y643-E826 HydrophobicContact CE2-CG 4.02Å; H815-E826 WeakPolarHBondContact CA-O 3.39Å; A816-E826 PolarHBondContact N-O 3.18Å; A816-E826 PolarHBondContact O-N 2.64Å
827N91.3Very high88Confident83 Ų8350.1 Ų50.144%0.44425%0.252SS..EExtended strand (participates in β ladder)trans-134.4141.1179.568.1106.8000112I813 V814I813-N827 HydrophobicContact CG2-CB 3.86Å; V814-N827 CarbonylContact O-C 3.52Å; V814-N827 WeakPolarHBondContact O-CA 3.38Å; V814-N827 WeakPolarHBondContact O-CB 3.39Å
828V90.3Very high87.9Confident2 Ų249.9 Ų49.91%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-119.5137.8175.675.10000111.5Y643 Y648 V814 I830Y643-V828 HydrophobicContact CD1-CB 3.8Å; Y643-V828 HydrophobicContact CD1-CG1 3.49Å; Y643-V828 VanDerWaalsContact CD1-CG1 3.49Å; Y643-V828 HydrophobicContact CD2-CB 3.78Å; Y643-V828 HydrophobicContact CD2-CG1 4.32Å; Y643-V828 HydrophobicContact CE1-CB 3.87Å; Y643-V828 HydrophobicContact CE1-CG1 3.29Å; Y643-V828 HydrophobicContact CE2-CB 3.83Å; Y643-V828 HydrophobicContact CE2-CG1 4.14Å; Y643-V828 HydrophobicContact CG-CB 3.74Å; Y643-V828 HydrophobicContact CG-CG1 4.01Å; Y643-V828 HydrophobicContact CG-CG2 4.32Å; Y648-V828 HydrophobicContact CD2-CB 4.49Å; Y648-V828 HydrophobicContact CD2-CG1 3.99Å; Y648-V828 HydrophobicContact CD2-CG2 3.7Å; Y648-V828 HydrophobicContact CE2-CB 4.38Å; Y648-V828 HydrophobicContact CE2-CG1 3.97Å; Y648-V828 HydrophobicContact CE2-CG2 3.76Å; V814-V828 HydrophobicContact CB-CG1 4.14Å; V814-V828 PolarHBondContact N-O 3.07Å; V814-V828 PolarHBondContact O-N 3.17Å; V828-I830 HydrophobicContact CG1-CG1 4.16Å
829Q85.9Confident87.6Confident91 Ų9152.9 Ų52.943%0.42527%0.267SS..EExtended strand (participates in β ladder)trans-85.9112172.6-170.1-166.4-115.600109.9Y648 F811Y648-Q829 PolarHBondContact N-O 3.36Å; F811-Q829 VanDerWaalsContact CD1-CD 3.48Å; F811-Q829 HydrophobicContact CD1-CG 3.79Å
830I86.9Confident87.4Confident0 Ų051.6 Ų51.60%026%0.264CS..EExtended strand (participates in β ladder)trans-92.9125.8172.1-54-174.3000109.1Y648 F650 F665 L760 F811 L812 V814 V828 I832Y648-I830 HydrophobicContact CD2-CG1 4.29Å; F650-I830 HydrophobicContact CD2-CG2 3.52Å; F650-I830 HydrophobicContact CE2-CD1 4.47Å; F650-I830 HydrophobicContact CE2-CG2 3.68Å; F665-I830 HydrophobicContact CD1-CD1 3.95Å; F665-I830 HydrophobicContact CE1-CD1 3.41Å; F665-I830 VanDerWaalsContact CE1-CD1 3.41Å; F665-I830 HydrophobicContact CZ-CD1 3.79Å; L760-I830 HydrophobicContact CD2-CD1 4.3Å; L760-I830 HydrophobicContact CD2-CG2 4.09Å; F811-I830 WeakPolarHBondContact CA-O 3.26Å; L812-I830 HydrophobicContact CB-CB 4.35Å; L812-I830 PolarHBondContact N-O 3.19Å; L812-I830 PolarHBondContact O-N 3Å; V814-I830 HydrophobicContact CB-CD1 4.43Å; V814-I830 HydrophobicContact CG2-CD1 3.53Å; V814-I830 HydrophobicContact CG2-CG1 4.18Å; V828-I830 HydrophobicContact CG1-CG1 4.16Å; I830-I832 HydrophobicContact CG2-CG1 4.14Å
831R83.1Confident87.6Confident78 Ų7853.7 Ų53.729%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-107.3105.1-177-168.5-175.7-161-155.86.1110.2Y648 Q649 F650 I809 F811Y648-R831 WeakPolarHBondContact O-CB 3.23Å; Y648-R831 PolarHBondContact O-N 2.84Å; Q649-R831 WeakPolarHBondContact CA-O 3.12Å; Q649-R831 HydrophobicContact CB-CB 4.47Å; Q649-R831 HydrophobicContact CG-CB 4.41Å; F650-R831 PolarHBondContact N-O 2.75Å; I809-R831 HydrophobicContact CD1-CG 4.43Å; I809-R831 HydrophobicContact CG2-CG 3.4Å; F811-R831 HydrophobicContact CD1-CB 4.46Å; F811-R831 HydrophobicContact CD1-CG 4.26Å; F811-R831 HydrophobicContact CE1-CB 4.31Å; F811-R831 HydrophobicContact CE1-CG 3.77Å; F811-R831 HydrophobicContact CZ-CG 4.14Å
832I84.1Confident87.9Confident0 Ų046.6 Ų46.60%024%0.241CC..EExtended strand (participates in β ladder)trans-100.6106.7179.9-47.5171000108.1F650 L652 V662 F734 L760 I809 I810 L812 I830 I834F650-I832 WeakPolarHBondContact O-CA 3.48Å; L652-I832 HydrophobicContact CB-CG2 3.89Å; V662-I832 HydrophobicContact CG1-CD1 4.23Å; V662-I832 HydrophobicContact CG1-CG1 4.37Å; V662-I832 HydrophobicContact CG1-CG2 3.97Å; F734-I832 HydrophobicContact CD1-CD1 3.97Å; F734-I832 HydrophobicContact CE1-CD1 3.45Å; F734-I832 VanDerWaalsContact CE1-CD1 3.45Å; F734-I832 HydrophobicContact CE2-CD1 4.28Å; F734-I832 HydrophobicContact CZ-CD1 3.63Å; L760-I832 HydrophobicContact CD2-CD1 4.02Å; I809-I832 WeakPolarHBondContact CA-O 3.38Å; I810-I832 HydrophobicContact CB-CB 4.35Å; I810-I832 PolarHBondContact N-O 3.08Å; I810-I832 PolarHBondContact O-N 2.67Å; L812-I832 HydrophobicContact CD1-CD1 3.78Å; L812-I832 HydrophobicContact CG-CD1 4.03Å; I830-I832 HydrophobicContact CG2-CG1 4.14Å; I832-I834 HydrophobicContact CG2-CD1 4.13Å
833Q83Confident87.9Confident45 Ų4549.8 Ų49.821%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-81120.6172.5179.9177.6-18.600109.3F650 T651 L652 I809 L835F650-Q833 PolarHBondContact O-N 3.06Å; T651-Q833 WeakPolarHBondContact CA-O 2.96Å; T651-Q833 HydrophobicContact CG2-CB 4.46Å; L652-Q833 PolarHBondContact N-O 2.85Å; I809-Q833 HydrophobicContact CG1-CB 4.4Å; I809-Q833 HydrophobicContact CG1-CG 4.48Å; Q833-L835 HydrophobicContact CG-CD2 4.11Å
834I84.7Confident87.8Confident0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-78.5124.3173-51.8-50.4000108.3L652 E654 I766 R768 L771 P808 I810 I832L652-I834 HydrophobicContact CB-CD1 4.31Å; L652-I834 CarbonylContact O-C 3.6Å; L652-I834 WeakPolarHBondContact O-CA 3.25Å; E654-I834 HydrophobicContact CB-CG2 4.42Å; I766-I834 HydrophobicContact CD1-CD1 3.6Å; I766-I834 HydrophobicContact CD1-CG1 4.48Å; I766-I834 HydrophobicContact CG2-CD1 4.39Å; I766-I834 HydrophobicContact CG2-CG1 4.44Å; I766-I834 HydrophobicContact CG2-CG2 3.76Å; R768-I834 HydrophobicContact CB-CG2 4.12Å; R768-I834 HydrophobicContact CG-CG2 3.93Å; L771-I834 HydrophobicContact CD1-CG1 4.44Å; P808-I834 HydrophobicContact CB-CB 4.2Å; P808-I834 HydrophobicContact CB-CG1 4.2Å; P808-I834 HydrophobicContact CG-CB 4.4Å; P808-I834 PolarHBondContact O-N 2.84Å; I810-I834 HydrophobicContact CD1-CD1 4.08Å; I810-I834 HydrophobicContact CD1-CG1 4.39Å; I810-I834 HydrophobicContact CG1-CD1 4.46Å; I810-I834 HydrophobicContact CG1-CG1 4.44Å; I832-I834 HydrophobicContact CG2-CD1 4.13Å
835L85.3Confident87.5Confident54 Ų5447.5 Ų47.528%0.28324%0.237SC..EExtended strand (participates in β ladder)trans-101.3142.2177.4-63.2-174.3000110.3T651 L652 K653 E654 Q833T651-L835 HydrophobicContact CG2-CD1 4.14Å; T651-L835 HydrophobicContact CG2-CG 4.4Å; L652-L835 PolarHBondContact O-N 2.81Å; K653-L835 WeakPolarHBondContact CA-O 3.45Å; K653-L835 HydrophobicContact CG-CB 4.02Å; E654-L835 PolarHBondContact N-O 3.24Å; Q833-L835 HydrophobicContact CG-CD2 4.11Å
836D85.6Confident87.1Confident31 Ų3147 Ų4717%0.16623%0.226CC..PPolyproline II helixtrans-69.7148.2-175.6-17288.7000113.6E654 R768 A879 N882E654-D836 VanDerWaalsContact OE1-CA 3.25Å; E654-D836 WeakPolarHBondContact OE1-CA 3.35Å; R768-D836 IonicContact CZ-OD1 3.75Å; R768-D836 IonicContact NE-OD1 2.81Å; R768-D836 PolarHBondContact NE-OD1 2.81Å; R768-D836 IonicContact NH1-OD1 3.19Å; R768-D836 IonicContact NH2-OD1 3.4Å; R768-D836 PolarHBondContact NH2-OD1 3.33Å; D836-A879 HydrophobicContact CB-CB 4.11Å; D836-A879 WeakPolarHBondContact OD1-CA 3.29Å; D836-A879 WeakPolarHBondContact OD1-CB 3.43Å; D836-A879 PolarHBondContact OD1-N 2.73Å; D836-N882 WeakPolarHBondContact OD2-CB 3.41Å; D836-N882 PolarHBondContact OD2-ND2 3.28Å
837H87.2Confident86.6Confident78 Ų7843 Ų4336%0.36121%0.208SC..  trans-123.9147.1168.5-153.9119.5000109.2E654 D839E654-H837 HydrophobicContact CG-CB 3.6Å; E654-H837 PolarHBondContact OE1-N 2.91Å; H837-D839 VanDerWaalsContact C-N 3.29Å; H837-D839 PolarHBondContact O-N 3.45Å
838N89.1Confident85.8Confident10 Ų1041.5 Ų41.55%0.05320%0.2CC..SBendtrans-81.676.3171.9-153.760.7000108.7D878 N882 D929 P933 H935N838-D878 WeakPolarHBondContact CA-OD2 3.19Å; N838-N882 HydrophobicContact CB-CB 4.07Å; N838-N882 PolarHBondContact N-ND2 3.41Å; N838-N882 WeakPolarHBondContact OD1-CA 3.47Å; N838-N882 WeakPolarHBondContact OD1-CB 3.45Å; N838-N882 VanDerWaalsContact OD1-CG 3.3Å; N838-N882 PolarHBondContact OD1-OD1 2.76Å; N838-D929 PolarHBondContact ND2-OD1 2.77Å; N838-D929 PolarHBondContact OD1-OD1 2.81Å; N838-P933 PolarHBondContact ND2-O 3.15Å; N838-H935 PolarHBondContact O-CE1 3Å
839D87.7Confident84.7Confident64 Ų6445.2 Ų45.234%0.34223%0.226SC..  trans-117.5-14.7179.583.4-49.3000114.4N655 H837 D878N655-D839 PolarHBondContact ND2-OD2 3.43Å; H837-D839 VanDerWaalsContact C-N 3.29Å; H837-D839 PolarHBondContact O-N 3.45Å; D839-D878 PolarHBondContact N-OD2 3.3Å
840N86.2Confident83.8Confident47 Ų4746.6 Ų46.625%0.25124%0.241SC..SBendtrans-81.2-163.9166-65.5-81.9000110.9E769 D876 D878 H935E769-N840 PolarHBondContact OE2-ND2 3.49Å; N840-D876 VanDerWaalsContact CB-OD1 3.31Å; N840-D876 WeakPolarHBondContact CB-OD1 3.36Å; N840-D878 VanDerWaalsContact CB-OD1 3.27Å; N840-D878 WeakPolarHBondContact CB-OD1 3.35Å; N840-D878 PolarHBondContact N-OD1 3.07Å; N840-D878 PolarHBondContact N-OD2 3.49Å; N840-D878 PolarHBondContact ND2-OD1 2.96Å; N840-H935 PolarHBondContact O-ND1 2.93Å
841S89.6Confident82.6Confident51 Ų5149.5 Ų49.536%0.35726%0.256SS..  trans-164.8143.9-176.4-68.80000110.8R843 D876 H935S841-R843 PolarHBondContact O-N 2.76Å; S841-D876 VanDerWaalsContact CA-OD2 3.29Å; S841-D876 WeakPolarHBondContact CA-OD2 3.25Å; S841-D876 PolarHBondContact N-OD1 2.8Å; S841-H935 WeakPolarHBondContact OG-CB 3.47Å
842P91.2Very high81.2Confident0 Ų049.6 Ų49.60%027%0.269CS..  trans-65.2113.5-165.2-28.636.4000113.7A874 D876 V885 A927 D929 T937P842-A874 HydrophobicContact CB-CB 4.41Å; P842-D876 WeakPolarHBondContact CA-OD2 3.29Å; P842-D876 WeakPolarHBondContact CD-OD2 3.49Å; P842-D876 WeakPolarHBondContact CG-OD2 3.05Å; P842-V885 HydrophobicContact CB-CG1 3.89Å; P842-V885 HydrophobicContact CB-CG2 3.86Å; P842-V885 HydrophobicContact CG-CG1 4.33Å; P842-V885 HydrophobicContact CG-CG2 4.12Å; P842-A927 HydrophobicContact CB-CB 3.86Å; P842-D929 HydrophobicContact CG-CB 4.32Å; P842-T937 WeakPolarHBondContact O-CB 3.1Å; P842-T937 WeakPolarHBondContact O-CG2 3.44Å; P842-T937 PolarHBondContact O-OG1 3.31Å
843R89.5Confident79.6Confident127 Ų12756.5 Ų56.548%0.47931%0.306SS..EExtended strand (participates in β ladder)trans-91.2116.1-177.5-179.9174.357.1-113.1-7.3111.1S841 I845 A874 V875 D877S841-R843 PolarHBondContact O-N 2.76Å; R843-I845 PolarHBondContact O-N 3.22Å; R843-A874 CarbonylContact O-C 3.53Å; R843-A874 WeakPolarHBondContact O-CA 3.36Å; R843-A874 WeakPolarHBondContact O-CB 3.46Å; R843-V875 PolarHBondContact N-O 3.04Å; R843-V875 PolarHBondContact O-N 2.89Å; R843-D877 IonicContact CZ-OD1 2.76Å; R843-D877 IonicContact CZ-OD2 3.67Å; R843-D877 IonicContact NH1-OD2 3.81Å; R843-D877 PolarHBondContact NH1-OD2 3.41Å; R843-D877 IonicContact NH2-OD1 2.73Å; R843-D877 PolarHBondContact NH2-OD1 2.87Å; R843-D877 IonicContact NH2-OD2 3.55Å; R843-D877 PolarHBondContact NH2-OD2 3.05Å
844F87.8Confident78.3Confident7 Ų759 Ų593%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-62.8118174.9-72.6-83.6000112.6P847 I872 A874 I925 A927 T937 T939F844-P847 WeakPolarHBondContact CB-O 3.03Å; F844-I872 HydrophobicContact CD1-CG2 4.02Å; F844-I872 HydrophobicContact CE1-CG2 3.62Å; F844-A874 HydrophobicContact CD1-CB 3.98Å; F844-A874 HydrophobicContact CE1-CB 4.41Å; F844-A874 HydrophobicContact CG-CB 4.19Å; F844-I925 HydrophobicContact CE1-CB 4.43Å; F844-I925 HydrophobicContact CE1-CG2 3.92Å; F844-I925 HydrophobicContact CZ-CB 4.38Å; F844-I925 HydrophobicContact CZ-CG2 4.08Å; F844-A927 HydrophobicContact CE1-CB 3.78Å; F844-A927 HydrophobicContact CE2-CB 3.77Å; F844-A927 HydrophobicContact CZ-CB 3.36Å; F844-T937 VanDerWaalsContact CD2-OG1 3.3Å; F844-T937 WeakPolarHBondContact CD2-OG1 3.35Å; F844-T937 VanDerWaalsContact CE2-OG1 3.24Å; F844-T937 WeakPolarHBondContact CE2-OG1 3.49Å; F844-T939 HydrophobicContact CB-CG2 4.47Å; F844-T939 HydrophobicContact CD1-CG2 3.6Å; F844-T939 HydrophobicContact CD2-CG2 3.59Å; F844-T939 HydrophobicContact CE1-CG2 3.52Å; F844-T939 HydrophobicContact CE2-CG2 3.5Å; F844-T939 HydrophobicContact CG-CG2 3.62Å; F844-T939 HydrophobicContact CZ-CG2 3.45Å; F844-T939 VanDerWaalsContact CZ-CG2 3.45Å
845I84.8Confident77.3Confident84 Ų8459.1 Ų59.143%0.43132%0.32SS..EExtended strand (participates in β ladder)trans-75.9-44.4161.8-63.2-178.5000108.8R843 Q873 V875R843-I845 PolarHBondContact O-N 3.22Å; I845-Q873 WeakPolarHBondContact CA-O 3.32Å; I845-Q873 HydrophobicContact CB-CB 4.35Å; I845-Q873 HydrophobicContact CB-CG 4.21Å; I845-Q873 HydrophobicContact CD1-CG 4.27Å; I845-Q873 PolarHBondContact N-O 3.24Å; I845-V875 HydrophobicContact CD1-CB 4.43Å; I845-V875 HydrophobicContact CD1-CG1 3.62Å; I845-V875 HydrophobicContact CD1-CG2 3.97Å; I845-V875 HydrophobicContact CG1-CG1 4.45Å; I845-V875 HydrophobicContact CG1-CG2 4.11Å
846F83.5Confident76.8Confident52 Ų5261.6 Ų61.623%0.22833%0.329CS..EExtended strand (participates in β ladder)trans-142.7128.6176.5-171.6-89.4000111.8I857 T870 Q871 Q873 L941F846-I857 HydrophobicContact CE1-CD1 3.98Å; F846-I857 HydrophobicContact CZ-CD1 3.88Å; F846-I857 HydrophobicContact CZ-CG1 4.22Å; F846-T870 HydrophobicContact CE1-CG2 4.48Å; F846-T870 WeakPolarHBondContact CE1-OG1 3.37Å; F846-Q871 WeakPolarHBondContact CD1-O 3.11Å; F846-Q873 HydrophobicContact CB-CB 4.46Å; F846-Q873 PolarHBondContact N-O 3.4Å; F846-Q873 PolarHBondContact O-N 3.16Å; F846-Q873 VanDerWaalsContact O-O 3.13Å; F846-L941 HydrophobicContact CE1-CD1 4.22Å; F846-L941 HydrophobicContact CZ-CD1 4.4Å
847P82.3Confident76.8Confident0 Ų061.3 Ų61.30%033%0.327CS..SBendcis-72.9130.6-7.230.2-35.1000111.7F844 S849 T855 T939 L941F844-P847 WeakPolarHBondContact CB-O 3.03Å; P847-S849 PolarHBondContact O-N 3.26Å; P847-T855 HydrophobicContact CB-CG2 3.43Å; P847-T855 VanDerWaalsContact CB-CG2 3.43Å; P847-T939 HydrophobicContact CG-CG2 3.52Å; P847-T939 PolarHBondContact O-OG1 3.21Å; P847-T939 VanDerWaalsContact O-OG1 3.14Å; P847-L941 HydrophobicContact CB-CD1 3.82Å; P847-L941 HydrophobicContact CG-CB 4.08Å; P847-L941 HydrophobicContact CG-CD1 3.87Å
848N74.4Confident76.7Confident50 Ų5059.9 Ų59.927%0.26733%0.326SS..  trans-62.7113.5-177.1177.5-3.3000111.6T850 N851 T855N848-T850 PolarHBondContact ND2-OG1 2.84Å; N848-T850 PolarHBondContact O-N 2.81Å; N848-T850 VanDerWaalsContact O-N 3.17Å; N848-T850 PolarHBondContact OD1-N 3.44Å; N848-T850 PolarHBondContact OD1-OG1 2.66Å; N848-N851 PolarHBondContact O-N 3.18Å; N848-T855 WeakPolarHBondContact O-CG2 3.4Å
849S66.9Low76.7Confident80 Ų8059.5 Ų59.556%0.55932%0.324SS*.THydrogen-bonded Turntrans-62.5-20.7-177.955.70000114.7P847P847-S849 PolarHBondContact O-N 3.26Å
850T66.8Low76.8Confident121 Ų12156.5 Ų56.574%0.74231%0.308SS*.THydrogen-bonded Turntrans-86.5-12.2-17965.70000114.1N848N848-T850 PolarHBondContact ND2-OG1 2.84Å; N848-T850 PolarHBondContact O-N 2.81Å; N848-T850 VanDerWaalsContact O-N 3.17Å; N848-T850 PolarHBondContact OD1-N 3.44Å; N848-T850 PolarHBondContact OD1-OG1 2.66Å
851N61Low77Confident60 Ų6056.6 Ų56.632%0.32131%0.305SS..  trans-144.283.9-172.1-164.3-17.3000113.3N848 N853 I854N848-N851 PolarHBondContact O-N 3.18Å; N851-N853 PolarHBondContact O-N 2.88Å; N851-N853 PolarHBondContact OD1-N 2.97Å; N851-I854 HydrophobicContact CB-CD1 4.18Å; N851-I854 HydrophobicContact CB-CG1 4.39Å; N851-I854 VanDerWaalsContact ND2-CD1 3.32Å; N851-I854 WeakPolarHBondContact ND2-CD1 3.25Å; N851-I854 PolarHBondContact O-N 3.12Å
852S54.2Low76.9Confident81 Ų8158 Ų5857%0.56631%0.305SS*.THydrogen-bonded Turntrans-59.5-13177.951.80000115.6T855S852-T855 PolarHBondContact O-OG1 3.39Å
853N49.8Very low76.8Confident144 Ų14458.2 Ų58.277%0.7731%0.306SS*.THydrogen-bonded Turntrans-80.8-15.3173.9-68.1-34.8000113.2N851N851-N853 PolarHBondContact O-N 2.88Å; N851-N853 PolarHBondContact OD1-N 2.97Å
854I56Low76.7Confident98 Ų9854.3 Ų54.350%0.50330%0.297SS..THydrogen-bonded Turntrans-94.2-18.5178.9-64.1179.4000111.5N851 K856N851-I854 HydrophobicContact CB-CD1 4.18Å; N851-I854 HydrophobicContact CB-CG1 4.39Å; N851-I854 VanDerWaalsContact ND2-CD1 3.32Å; N851-I854 WeakPolarHBondContact ND2-CD1 3.25Å; N851-I854 PolarHBondContact O-N 3.12Å; I854-K856 PolarHBondContact O-N 2.98Å
855T64Low76.8Confident3 Ų361 Ų612%0.01833%0.326CS..  trans-95.823.4-165.562.20000114.7P847 N848 S852 I942P847-T855 HydrophobicContact CB-CG2 3.43Å; P847-T855 VanDerWaalsContact CB-CG2 3.43Å; N848-T855 WeakPolarHBondContact O-CG2 3.4Å; S852-T855 PolarHBondContact O-OG1 3.39Å; T855-I942 PolarHBondContact O-N 3.07Å; T855-I942 VanDerWaalsContact O-N 3.08Å
856K75.7Confident76.8Confident106 Ų10659.4 Ų59.446%0.46133%0.33SS..EExtended strand (participates in β ladder)trans-90.7134.3171.6-79.8-173.7153.9-142.30111.6I854 I942 E944I854-K856 PolarHBondContact O-N 2.98Å; K856-I942 CarbonylContact C-O 3.58Å; K856-I942 VanDerWaalsContact CA-O 3.31Å; K856-I942 WeakPolarHBondContact CA-O 3.22Å; K856-I942 HydrophobicContact CG-CB 4.16Å; K856-I942 HydrophobicContact CG-CG2 4.05Å; K856-E944 VanDerWaalsContact NZ-CD 3.27Å; K856-E944 IonicContact NZ-OE1 2.94Å; K856-E944 PolarHBondContact NZ-OE1 2.85Å; K856-E944 IonicContact NZ-OE2 2.87Å; K856-E944 PolarHBondContact NZ-OE2 2.87Å
857I85.3Confident77.1Confident24 Ų2459.5 Ų59.512%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-127.1112.3172.3-50.3179.1000110.1F846 F869 T870 L941 I942 L943 E944F846-I857 HydrophobicContact CE1-CD1 3.98Å; F846-I857 HydrophobicContact CZ-CD1 3.88Å; F846-I857 HydrophobicContact CZ-CG1 4.22Å; I857-F869 HydrophobicContact CG2-CD2 4.26Å; I857-T870 HydrophobicContact CD1-CG2 3.51Å; I857-L941 HydrophobicContact CD1-CD1 3.76Å; I857-L941 HydrophobicContact CD1-CD2 4.34Å; I857-L941 HydrophobicContact CD1-CG 4.45Å; I857-L941 HydrophobicContact CG1-CD1 4.2Å; I857-I942 PolarHBondContact N-O 3.34Å; I857-L943 HydrophobicContact CB-CD2 4.07Å; I857-L943 HydrophobicContact CD1-CD2 4.3Å; I857-E944 PolarHBondContact O-N 3.11Å
858S85.5Confident77.4Confident49 Ų4964 Ų6434%0.34335%0.352SS..EExtended strand (participates in β ladder)trans-76.1124.1174.2-39.70000110.8E944 K951S858-E944 CarbonylContact C-O 3.49Å; S858-E944 VanDerWaalsContact CA-O 3.29Å; S858-E944 WeakPolarHBondContact CA-O 3.16Å; S858-K951 PolarHBondContact O-NZ 3.02Å
859L89.2Confident78.2Confident2 Ų262.9 Ų62.91%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-131.2128.8-174.1-173.572.1000109.1E863 Y867 F869 F898 I909 I913 E944 I945 D946L859-E863 HydrophobicContact CD1-CG 3.89Å; L859-E863 HydrophobicContact CG-CG 4.35Å; L859-Y867 HydrophobicContact CD1-CD1 4.09Å; L859-Y867 HydrophobicContact CD1-CE1 3.88Å; L859-F869 HydrophobicContact CD1-CB 3.5Å; L859-F869 VanDerWaalsContact CD1-CB 3.5Å; L859-F869 HydrophobicContact CD1-CD1 4.08Å; L859-F869 HydrophobicContact CD1-CD2 4.22Å; L859-F869 HydrophobicContact CD1-CG 3.69Å; L859-F869 HydrophobicContact CD2-CD1 4.35Å; L859-F869 HydrophobicContact CD2-CE1 4.42Å; L859-F869 HydrophobicContact CD2-CG 4.43Å; L859-F898 HydrophobicContact CD2-CE1 3.71Å; L859-F898 HydrophobicContact CD2-CZ 4.24Å; L859-I909 HydrophobicContact CD1-CD1 4.43Å; L859-I909 HydrophobicContact CD2-CD1 4.2Å; L859-I909 HydrophobicContact CD2-CG1 4.5Å; L859-I913 HydrophobicContact CD2-CD1 3.75Å; L859-E944 PolarHBondContact N-O 3.34Å; L859-I945 CarbonylContact O-C 3.53Å; L859-I945 VanDerWaalsContact O-CA 3.24Å; L859-I945 WeakPolarHBondContact O-CA 3.31Å; L859-D946 PolarHBondContact O-N 2.97Å
860S89.4Confident79.2Confident0 Ų060.2 Ų60.20%033%0.326CS..EExtended strand (participates in β ladder)trans-72.8140.5172.2178.60000110.1K862 E863 D946 S948S860-K862 PolarHBondContact O-N 3.5Å; S860-K862 WeakPolarHBondContact OG-CB 3.48Å; S860-K862 PolarHBondContact OG-N 3.2Å; S860-K862 VanDerWaalsContact OG-N 3.1Å; S860-E863 VanDerWaalsContact O-CG 3.22Å; S860-E863 WeakPolarHBondContact O-CG 3.32Å; S860-E863 PolarHBondContact O-N 2.76Å; S860-D946 WeakPolarHBondContact CA-O 3Å; S860-S948 VanDerWaalsContact CB-O 3.26Å; S860-S948 WeakPolarHBondContact CB-O 3.16Å; S860-S948 PolarHBondContact OG-O 2.84Å
861Y90Very high80.3Confident49 Ų4959.9 Ų59.919%0.19232%0.315CS..THydrogen-bonded Turntrans-64.9-15.7169.176.4-96000112.2E863 Y915 I918 D946 D947Y861-E863 VanDerWaalsContact C-N 3.3Å; Y861-E863 PolarHBondContact O-N 3.47Å; Y861-Y915 HydrophobicContact CD1-CD2 4.47Å; Y861-Y915 AromaticContact CE1-CD2 3.7Å; Y861-Y915 HydrophobicContact CE1-CD2 3.7Å; Y861-Y915 HydrophobicContact CE1-CE2 4.12Å; Y861-Y915 HydrophobicContact CE2-CD2 4.3Å; Y861-Y915 AromaticContact CZ-CD2 3.62Å; Y861-I918 HydrophobicContact CD1-CD1 3.63Å; Y861-I918 HydrophobicContact CD1-CG1 3.76Å; Y861-I918 HydrophobicContact CE1-CD1 3.74Å; Y861-I918 HydrophobicContact CE1-CG1 4.39Å; Y861-I918 HydrophobicContact CG-CG1 4.46Å; Y861-D946 VanDerWaalsContact CD1-O 3.28Å; Y861-D946 WeakPolarHBondContact CD1-O 2.86Å; Y861-D946 PolarHBondContact N-O 2.61Å; Y861-D947 HydrophobicContact CE1-CB 4.12Å; Y861-D947 WeakPolarHBondContact CE1-OD1 3.28Å; Y861-D947 PolarHBondContact OH-OD1 2.79Å
862K87.9Confident81.7Confident82 Ų8257 Ų5736%0.35730%0.3SS..THydrogen-bonded Turntrans-82.6-0.7180-53.6166.5-173.6161.80113.4S860 D947 S950S860-K862 PolarHBondContact O-N 3.5Å; S860-K862 WeakPolarHBondContact OG-CB 3.48Å; S860-K862 PolarHBondContact OG-N 3.2Å; S860-K862 VanDerWaalsContact OG-N 3.1Å; K862-D947 WeakPolarHBondContact CE-OD1 3.29Å; K862-D947 PolarHBondContact NZ-O 3.49Å; K862-D947 IonicContact NZ-OD1 3.49Å; K862-D947 PolarHBondContact NZ-OD1 3.05Å; K862-D947 IonicContact NZ-OD2 3.58Å; K862-S950 WeakPolarHBondContact O-CB 3.44Å
863E88.5Confident83.4Confident4 Ų457.8 Ų57.82%0.01930%0.295CS..PPolyproline II helixtrans-69.9137178.1-61.7-70.7-174.900111L859 S860 Y861 Y867 I909 S950 K951 A952L859-E863 HydrophobicContact CD1-CG 3.89Å; L859-E863 HydrophobicContact CG-CG 4.35Å; S860-E863 VanDerWaalsContact O-CG 3.22Å; S860-E863 WeakPolarHBondContact O-CG 3.32Å; S860-E863 PolarHBondContact O-N 2.76Å; Y861-E863 VanDerWaalsContact C-N 3.3Å; Y861-E863 PolarHBondContact O-N 3.47Å; E863-Y867 HydrophobicContact CB-CD1 3.62Å; E863-Y867 HydrophobicContact CB-CE1 4.25Å; E863-Y867 HydrophobicContact CB-CG 4.17Å; E863-Y867 VanDerWaalsContact CD-CE1 3.4Å; E863-Y867 HydrophobicContact CG-CD1 3.67Å; E863-Y867 HydrophobicContact CG-CE1 3.77Å; E863-I909 HydrophobicContact CB-CD1 3.36Å; E863-I909 HydrophobicContact CG-CD1 4.36Å; E863-S950 WeakPolarHBondContact OE2-CB 3.13Å; E863-S950 PolarHBondContact OE2-OG 2.73Å; E863-K951 VanDerWaalsContact CD-N 3.31Å; E863-K951 VanDerWaalsContact OE1-CB 3.3Å; E863-K951 WeakPolarHBondContact OE1-CB 3.45Å; E863-K951 PolarHBondContact OE1-N 2.76Å; E863-K951 PolarHBondContact OE2-N 3.29Å; E863-K951 VanDerWaalsContact OE2-N 3.15Å; E863-A952 WeakPolarHBondContact OE2-CB 3.47Å; E863-A952 PolarHBondContact OE2-N 2.71Å
864P88.5Confident85.3Confident45 Ų4551.2 Ų51.229%0.29226%0.26SS..PPolyproline II helixtrans-73.8156.3-172.929.2-35000113.2G866 Y867 A952P864-G866 PolarHBondContact O-N 3.08Å; P864-Y867 WeakPolarHBondContact O-CB 3.44Å; P864-Y867 PolarHBondContact O-N 3.06Å; P864-A952 HydrophobicContact CG-CB 3.76Å
865K88.5Confident86.8Confident148 Ų14848.9 Ų48.964%0.64325%0.251SS*.THydrogen-bonded Turntrans-54.1132.6167.2175.5173176.1140.90110.1N910K865-N910 VanDerWaalsContact CD-O 3.24Å; K865-N910 WeakPolarHBondContact CD-O 3.43Å; K865-N910 WeakPolarHBondContact CE-O 3.1Å; K865-N910 PolarHBondContact NZ-O 2.76Å
866G86Confident88Confident50 Ų5049.3 Ų49.352%0.51525%0.253SS..THydrogen-bonded Turntrans91.8-9.1-174.600000114.2P864 I868 I909P864-G866 PolarHBondContact O-N 3.08Å; G866-I868 PolarHBondContact O-N 2.96Å; G866-I868 VanDerWaalsContact O-N 3.15Å; G866-I909 PolarHBondContact N-O 2.73Å
867Y89.3Confident88.4Confident54 Ų5446.3 Ų46.321%0.21224%0.242CC..  trans-62.6116.5175.6-178.6-118.8000110.9L859 E863 P864 F869 S908 I909 K951 A952L859-Y867 HydrophobicContact CD1-CD1 4.09Å; L859-Y867 HydrophobicContact CD1-CE1 3.88Å; E863-Y867 HydrophobicContact CB-CD1 3.62Å; E863-Y867 HydrophobicContact CB-CE1 4.25Å; E863-Y867 HydrophobicContact CB-CG 4.17Å; E863-Y867 VanDerWaalsContact CD-CE1 3.4Å; E863-Y867 HydrophobicContact CG-CD1 3.67Å; E863-Y867 HydrophobicContact CG-CE1 3.77Å; P864-Y867 WeakPolarHBondContact O-CB 3.44Å; P864-Y867 PolarHBondContact O-N 3.06Å; Y867-F869 HydrophobicContact CD1-CB 3.9Å; Y867-F869 HydrophobicContact CE1-CB 3.56Å; Y867-S908 CarbonylContact O-C 3.58Å; Y867-S908 WeakPolarHBondContact O-CA 3.46Å; Y867-S908 VanDerWaalsContact O-CB 3.29Å; Y867-S908 WeakPolarHBondContact O-CB 3.48Å; Y867-I909 HydrophobicContact CD1-CD1 4.23Å; Y867-I909 PolarHBondContact O-N 3.29Å; Y867-K951 WeakPolarHBondContact OH-CB 3.42Å; Y867-A952 HydrophobicContact CD2-CB 3.84Å; Y867-A952 HydrophobicContact CE2-CB 4.12Å; Y867-A952 HydrophobicContact CG-CB 4.48Å
868I89.4Confident88.4Confident95 Ų9545.2 Ų45.249%0.48724%0.236SC..EExtended strand (participates in β ladder)trans-84.9111.8171.6-57.4167.3000107G866 T906G866-I868 PolarHBondContact O-N 2.96Å; G866-I868 VanDerWaalsContact O-N 3.15Å; I868-T906 HydrophobicContact CG2-CG2 4.24Å
869F89.4Confident88.2Confident25 Ų2543.5 Ų43.511%0.1123%0.225CC..EExtended strand (participates in β ladder)trans-103.1-15.1-176.758-87.7000113.1I857 L859 Y867 F898 L907 I909 L943I857-F869 HydrophobicContact CG2-CD2 4.26Å; L859-F869 HydrophobicContact CD1-CB 3.5Å; L859-F869 VanDerWaalsContact CD1-CB 3.5Å; L859-F869 HydrophobicContact CD1-CD1 4.08Å; L859-F869 HydrophobicContact CD1-CD2 4.22Å; L859-F869 HydrophobicContact CD1-CG 3.69Å; L859-F869 HydrophobicContact CD2-CD1 4.35Å; L859-F869 HydrophobicContact CD2-CE1 4.42Å; L859-F869 HydrophobicContact CD2-CG 4.43Å; Y867-F869 HydrophobicContact CD1-CB 3.9Å; Y867-F869 HydrophobicContact CE1-CB 3.56Å; F869-F898 AromaticContact CE1-CD1 3.54Å; F869-F898 HydrophobicContact CE1-CD1 3.54Å; F869-F898 AromaticContact CE1-CE1 3.91Å; F869-F898 HydrophobicContact CE1-CE1 3.91Å; F869-F898 AromaticContact CZ-CD1 3.47Å; F869-F898 HydrophobicContact CZ-CD1 3.47Å; F869-F898 VanDerWaalsContact CZ-CD1 3.47Å; F869-F898 AromaticContact CZ-CE1 3.79Å; F869-F898 HydrophobicContact CZ-CE1 3.79Å; F869-F898 HydrophobicContact CZ-CG 4.34Å; F869-L907 WeakPolarHBondContact CD1-O 3.31Å; F869-L907 HydrophobicContact CE1-CD2 4.49Å; F869-L907 HydrophobicContact CE1-CG 4.13Å; F869-L907 HydrophobicContact CE2-CD2 3.58Å; F869-L907 HydrophobicContact CE2-CG 4.06Å; F869-L907 HydrophobicContact CZ-CB 4.24Å; F869-L907 HydrophobicContact CZ-CD2 3.45Å; F869-L907 VanDerWaalsContact CZ-CD2 3.45Å; F869-L907 HydrophobicContact CZ-CG 3.52Å; F869-L907 PolarHBondContact N-O 3.44Å; F869-I909 HydrophobicContact CD1-CG1 4.12Å; F869-I909 HydrophobicContact CE1-CG1 4.17Å; F869-L943 HydrophobicContact CD2-CD2 4.5Å; F869-L943 HydrophobicContact CE2-CD1 4.06Å; F869-L943 HydrophobicContact CE2-CD2 3.68Å; F869-L943 HydrophobicContact CZ-CD1 4.06Å; F869-L943 HydrophobicContact CZ-CD2 4.48Å
870T89.7Confident87.9Confident25 Ų2545.8 Ų45.815%0.15325%0.249CC..EExtended strand (participates in β ladder)trans-160.5172.5171.8-163.10000112.6F846 I857 L907 L941F846-T870 HydrophobicContact CE1-CG2 4.48Å; F846-T870 WeakPolarHBondContact CE1-OG1 3.37Å; I857-T870 HydrophobicContact CD1-CG2 3.51Å; T870-L907 HydrophobicContact CG2-CB 3.77Å; T870-L907 HydrophobicContact CG2-CD2 3.89Å; T870-L907 HydrophobicContact CG2-CG 4.44Å; T870-L907 PolarHBondContact O-N 2.98Å; T870-L941 HydrophobicContact CG2-CD2 4.43Å
871Q89.5Confident87.7Confident113 Ų11352.7 Ų52.753%0.52828%0.281SS..EExtended strand (participates in β ladder)trans-128.8114.9172-171172.23.900108.9F846 T904 G905 T906F846-Q871 WeakPolarHBondContact CD1-O 3.11Å; Q871-T904 WeakPolarHBondContact CG-O 2.98Å; Q871-T904 PolarHBondContact NE2-O 2.99Å; Q871-G905 CarbonylContact C-O 3.49Å; Q871-G905 WeakPolarHBondContact CA-O 3.22Å; Q871-T906 HydrophobicContact CB-CG2 4.42Å; Q871-T906 HydrophobicContact CG-CG2 4.03Å
872I90.8Very high87.5Confident1 Ų151.9 Ų51.91%0.00528%0.28CS..  trans-61.4135.4166-53.2-58.1000108F844 Y887 L900 G905 I925 L941F844-I872 HydrophobicContact CD1-CG2 4.02Å; F844-I872 HydrophobicContact CE1-CG2 3.62Å; I872-Y887 HydrophobicContact CB-CD1 4.27Å; I872-Y887 HydrophobicContact CB-CE1 4.49Å; I872-Y887 HydrophobicContact CG2-CD1 3.53Å; I872-Y887 HydrophobicContact CG2-CE1 3.71Å; I872-Y887 HydrophobicContact CG2-CG 4.34Å; I872-L900 HydrophobicContact CB-CD1 4.26Å; I872-L900 HydrophobicContact CG1-CD1 3.63Å; I872-L900 HydrophobicContact CG1-CD2 4.24Å; I872-G905 WeakPolarHBondContact CB-O 3.46Å; I872-G905 WeakPolarHBondContact CG1-O 3.33Å; I872-G905 PolarHBondContact N-O 2.79Å; I872-G905 WeakPolarHBondContact O-CA 3.45Å; I872-I925 HydrophobicContact CD1-CG1 4.09Å; I872-I925 HydrophobicContact CD1-CG2 4.26Å; I872-I925 HydrophobicContact CG1-CG2 4.16Å; I872-I925 HydrophobicContact CG2-CG2 3.89Å; I872-L941 HydrophobicContact CD1-CD2 4.03Å
873Q90Very high87.3Confident96 Ų9648.5 Ų48.545%0.44927%0.269SS..EExtended strand (participates in β ladder)trans-137.9122.1175.4-171.1179.17.800109.3I845 F846I845-Q873 WeakPolarHBondContact CA-O 3.32Å; I845-Q873 HydrophobicContact CB-CB 4.35Å; I845-Q873 HydrophobicContact CB-CG 4.21Å; I845-Q873 HydrophobicContact CD1-CG 4.27Å; I845-Q873 PolarHBondContact N-O 3.24Å; F846-Q873 HydrophobicContact CB-CB 4.46Å; F846-Q873 PolarHBondContact N-O 3.4Å; F846-Q873 PolarHBondContact O-N 3.16Å; F846-Q873 VanDerWaalsContact O-O 3.13Å
874A89Confident87.3Confident6 Ų651.6 Ų51.65%0.0529%0.288CS..EExtended strand (participates in β ladder)trans-126.4155.6163.100000108.7P842 R843 F844 V885 Y887 A927P842-A874 HydrophobicContact CB-CB 4.41Å; R843-A874 CarbonylContact O-C 3.53Å; R843-A874 WeakPolarHBondContact O-CA 3.36Å; R843-A874 WeakPolarHBondContact O-CB 3.46Å; F844-A874 HydrophobicContact CD1-CB 3.98Å; F844-A874 HydrophobicContact CE1-CB 4.41Å; F844-A874 HydrophobicContact CG-CB 4.19Å; A874-V885 HydrophobicContact CB-CG1 4.13Å; A874-Y887 HydrophobicContact CB-CE1 3.91Å; A874-Y887 PolarHBondContact N-OH 2.78Å; A874-Y887 PolarHBondContact O-OH 2.75Å; A874-Y887 VanDerWaalsContact O-OH 3.08Å; A874-A927 HydrophobicContact CB-CB 3.83Å
875V88.1Confident87.3Confident49 Ų4950.4 Ų50.430%0.29728%0.28SS..EExtended strand (participates in β ladder)trans-120.8139.5170.5-70.10000107.7R843 I845R843-V875 PolarHBondContact N-O 3.04Å; R843-V875 PolarHBondContact O-N 2.89Å; I845-V875 HydrophobicContact CD1-CB 4.43Å; I845-V875 HydrophobicContact CD1-CG1 3.62Å; I845-V875 HydrophobicContact CD1-CG2 3.97Å; I845-V875 HydrophobicContact CG1-CG1 4.45Å; I845-V875 HydrophobicContact CG1-CG2 4.11Å
876D88.1Confident87.6Confident13 Ų1343.8 Ų43.87%0.0725%0.252CS..  trans-94.8155.6154.5-139.8-53.7000108.9N840 S841 P842 D878 V885N840-D876 VanDerWaalsContact CB-OD1 3.31Å; N840-D876 WeakPolarHBondContact CB-OD1 3.36Å; S841-D876 VanDerWaalsContact CA-OD2 3.29Å; S841-D876 WeakPolarHBondContact CA-OD2 3.25Å; S841-D876 PolarHBondContact N-OD1 2.8Å; P842-D876 WeakPolarHBondContact CA-OD2 3.29Å; P842-D876 WeakPolarHBondContact CD-OD2 3.49Å; P842-D876 WeakPolarHBondContact CG-OD2 3.05Å; D876-D878 PolarHBondContact OD1-N 2.92Å; D876-V885 HydrophobicContact CB-CG2 3.96Å
877D83.8Confident88Confident43 Ų4342.4 Ų42.423%0.2323%0.231CC..SBendtrans-91.9-19.4176.2-62.1-40.7000111.2R768 E769 R843R768-D877 PolarHBondContact NH2-O 2.81Å; R768-D877 VanDerWaalsContact NH2-O 3.12Å; E769-D877 HydrophobicContact CG-CB 3.73Å; R843-D877 IonicContact CZ-OD1 2.76Å; R843-D877 IonicContact CZ-OD2 3.67Å; R843-D877 IonicContact NH1-OD2 3.81Å; R843-D877 PolarHBondContact NH1-OD2 3.41Å; R843-D877 IonicContact NH2-OD1 2.73Å; R843-D877 PolarHBondContact NH2-OD1 2.87Å; R843-D877 IonicContact NH2-OD2 3.55Å; R843-D877 PolarHBondContact NH2-OD2 3.05Å
878D86.3Confident88.2Confident0 Ų042.7 Ų42.70%023%0.233CC..SBendtrans-62.9170.3173.6-67.1-9.1000113.5R768 S804 N838 D839 N840 D876 N882 G883R768-D878 VanDerWaalsContact NH2-C 3.35Å; S804-D878 WeakPolarHBondContact CA-O 3.16Å; S804-D878 WeakPolarHBondContact CB-O 3.32Å; N838-D878 WeakPolarHBondContact CA-OD2 3.19Å; D839-D878 PolarHBondContact N-OD2 3.3Å; N840-D878 VanDerWaalsContact CB-OD1 3.27Å; N840-D878 WeakPolarHBondContact CB-OD1 3.35Å; N840-D878 PolarHBondContact N-OD1 3.07Å; N840-D878 PolarHBondContact N-OD2 3.49Å; N840-D878 PolarHBondContact ND2-OD1 2.96Å; D876-D878 PolarHBondContact OD1-N 2.92Å; D878-N882 HydrophobicContact CB-CB 3.71Å; D878-G883 VanDerWaalsContact C-CA 3.48Å; D878-G883 WeakPolarHBondContact O-CA 3.3Å
879A81.3Confident88.4Confident14 Ų1440.2 Ų40.212%0.11622%0.221CC..  trans-110.8159.4-175.900000115.2S804 D836 E881 N882 G883S804-A879 WeakPolarHBondContact O-CA 3.45Å; S804-A879 WeakPolarHBondContact O-CB 3.45Å; D836-A879 HydrophobicContact CB-CB 4.11Å; D836-A879 WeakPolarHBondContact OD1-CA 3.29Å; D836-A879 WeakPolarHBondContact OD1-CB 3.43Å; D836-A879 PolarHBondContact OD1-N 2.73Å; A879-E881 PolarHBondContact O-N 3.45Å; A879-N882 WeakPolarHBondContact O-CB 3.41Å; A879-N882 PolarHBondContact O-N 3.42Å; A879-G883 PolarHBondContact O-N 2.89Å
880G82.1Confident88.5Confident49 Ų4943.3 Ų43.351%0.50524%0.235SC..THydrogen-bonded Turntrans58.9-128.7175.100000112.9S804 G883 T884S804-G880 PolarHBondContact O-N 3.38Å; G880-G883 CarbonylContact O-C 3.57Å; G880-G883 PolarHBondContact O-N 3.19Å; G880-T884 WeakPolarHBondContact O-CB 3.24Å; G880-T884 PolarHBondContact O-N 2.9Å; G880-T884 PolarHBondContact O-OG1 3.26Å
881E85.2Confident88.6Confident145 Ų14544.4 Ų44.468%0.67824%0.244SC*.THydrogen-bonded Turntrans-70.4-33.1179.1-63.3-167.9132.900112.7A879 G883 T884 C930 G931A879-E881 PolarHBondContact O-N 3.45Å; E881-G883 VanDerWaalsContact C-N 3.34Å; E881-T884 PolarHBondContact O-N 2.79Å; E881-T884 VanDerWaalsContact O-N 3.07Å; E881-C930 HydrophobicContact CB-CB 4.11Å; E881-C930 CarbonylContact O-C 3.52Å; E881-C930 WeakPolarHBondContact O-CA 3.38Å; E881-C930 WeakPolarHBondContact O-CB 3.5Å; E881-C930 PolarHBondContact O-N 2.8Å; E881-G931 PolarHBondContact O-N 2.91Å
882N86.4Confident88.6Confident32 Ų3240 Ų4017%0.17123%0.23CC..THydrogen-bonded Turntrans-62.2-44.4171.5-60.3-9.4000109.9D836 N838 D878 A879 T884 D929 G931D836-N882 WeakPolarHBondContact OD2-CB 3.41Å; D836-N882 PolarHBondContact OD2-ND2 3.28Å; N838-N882 HydrophobicContact CB-CB 4.07Å; N838-N882 PolarHBondContact N-ND2 3.41Å; N838-N882 WeakPolarHBondContact OD1-CA 3.47Å; N838-N882 WeakPolarHBondContact OD1-CB 3.45Å; N838-N882 VanDerWaalsContact OD1-CG 3.3Å; N838-N882 PolarHBondContact OD1-OD1 2.76Å; D878-N882 HydrophobicContact CB-CB 3.71Å; A879-N882 WeakPolarHBondContact O-CB 3.41Å; A879-N882 PolarHBondContact O-N 3.42Å; N882-T884 PolarHBondContact O-N 3.13Å; N882-D929 WeakPolarHBondContact O-CB 3.33Å; N882-G931 WeakPolarHBondContact OD1-CA 3.44Å
883G84.5Confident88.6Confident12 Ų1240.9 Ų40.912%0.12423%0.234CC..THydrogen-bonded Turntrans-67.7-9.1170.900000116.6D878 A879 G880 E881 V885D878-G883 VanDerWaalsContact C-CA 3.48Å; D878-G883 WeakPolarHBondContact O-CA 3.3Å; A879-G883 PolarHBondContact O-N 2.89Å; G880-G883 CarbonylContact O-C 3.57Å; G880-G883 PolarHBondContact O-N 3.19Å; E881-G883 VanDerWaalsContact C-N 3.34Å; G883-V885 PolarHBondContact O-N 3.33Å
884T87.7Confident88.5Confident68 Ų6842.4 Ų42.442%0.41725%0.245SC..  trans-94.390.1-167.5-66.40000112.6G880 E881 N882 D929 C930G880-T884 WeakPolarHBondContact O-CB 3.24Å; G880-T884 PolarHBondContact O-N 2.9Å; G880-T884 PolarHBondContact O-OG1 3.26Å; E881-T884 PolarHBondContact O-N 2.79Å; E881-T884 VanDerWaalsContact O-N 3.07Å; N882-T884 PolarHBondContact O-N 3.13Å; T884-D929 CarbonylContact O-C 3.36Å; T884-D929 WeakPolarHBondContact O-CA 3.31Å; T884-C930 PolarHBondContact O-N 2.8Å; T884-C930 PolarHBondContact O-SG 3.34Å
885V89.4Confident88.4Confident20 Ų2047.6 Ų47.612%0.12127%0.268CS..  trans-70.2133.5178.6-170.60000113.1P842 A874 D876 G883 Y887 A927 R928P842-V885 HydrophobicContact CB-CG1 3.89Å; P842-V885 HydrophobicContact CB-CG2 3.86Å; P842-V885 HydrophobicContact CG-CG1 4.33Å; P842-V885 HydrophobicContact CG-CG2 4.12Å; A874-V885 HydrophobicContact CB-CG1 4.13Å; D876-V885 HydrophobicContact CB-CG2 3.96Å; G883-V885 PolarHBondContact O-N 3.33Å; V885-Y887 HydrophobicContact CG1-CD1 4.4Å; V885-Y887 HydrophobicContact CG1-CE1 3.88Å; V885-A927 HydrophobicContact CG1-CB 3.83Å; V885-R928 CarbonylContact C-O 3.58Å; V885-R928 WeakPolarHBondContact CA-O 3.47Å
886I92.9Very high88.6Confident10 Ų1049.8 Ų49.85%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-130.7138.3174.946.6166.3000111.1F888 K902 R928I886-F888 HydrophobicContact CB-CE2 4.22Å; I886-F888 HydrophobicContact CD1-CE2 3.94Å; I886-F888 HydrophobicContact CD1-CZ 4.17Å; I886-F888 HydrophobicContact CG1-CE2 4.01Å; I886-K902 HydrophobicContact CB-CD 4.46Å; I886-K902 HydrophobicContact CB-CG 3.95Å; I886-K902 VanDerWaalsContact CD1-CE 3.43Å; I886-K902 HydrophobicContact CG2-CD 4.49Å; I886-K902 HydrophobicContact CG2-CG 4.21Å; I886-R928 HydrophobicContact CD1-CG 4.09Å; I886-R928 HydrophobicContact CG1-CG 3.79Å; I886-R928 WeakPolarHBondContact CG1-O 3.25Å; I886-R928 PolarHBondContact N-O 3.19Å; I886-R928 PolarHBondContact O-N 2.8Å; I886-R928 VanDerWaalsContact O-N 3.13Å
887Y94.8Very high88.8Confident20 Ų2050.7 Ų50.78%0.07828%0.281CS..EExtended strand (participates in β ladder)trans-106.5142-165.4-54.7-79.9000114I872 A874 V885 K902 A927I872-Y887 HydrophobicContact CB-CD1 4.27Å; I872-Y887 HydrophobicContact CB-CE1 4.49Å; I872-Y887 HydrophobicContact CG2-CD1 3.53Å; I872-Y887 HydrophobicContact CG2-CE1 3.71Å; I872-Y887 HydrophobicContact CG2-CG 4.34Å; A874-Y887 HydrophobicContact CB-CE1 3.91Å; A874-Y887 PolarHBondContact N-OH 2.78Å; A874-Y887 PolarHBondContact O-OH 2.75Å; A874-Y887 VanDerWaalsContact O-OH 3.08Å; V885-Y887 HydrophobicContact CG1-CD1 4.4Å; V885-Y887 HydrophobicContact CG1-CE1 3.88Å; Y887-K902 WeakPolarHBondContact CD2-O 3.08Å; Y887-K902 PolarHBondContact N-O 3.13Å; Y887-K902 WeakPolarHBondContact O-CA 3.42Å; Y887-A927 HydrophobicContact CD1-CB 4.14Å; Y887-A927 HydrophobicContact CE1-CB 4.26Å
888F94.2Very high89.2Confident60 Ų6048.7 Ų48.726%0.26327%0.271SS..EExtended strand (participates in β ladder)trans-138.7148.1179.1-61.6-90.1000111.3I886 K902 E926 R928I886-F888 HydrophobicContact CB-CE2 4.22Å; I886-F888 HydrophobicContact CD1-CE2 3.94Å; I886-F888 HydrophobicContact CD1-CZ 4.17Å; I886-F888 HydrophobicContact CG1-CE2 4.01Å; F888-K902 HydrophobicContact CE1-CG 4.5Å; F888-K902 HydrophobicContact CZ-CD 4.09Å; F888-K902 HydrophobicContact CZ-CG 4.09Å; F888-E926 HydrophobicContact CB-CB 4.36Å; F888-E926 PolarHBondContact N-O 3.49Å; F888-E926 PolarHBondContact O-N 2.8Å; F888-R928 HydrophobicContact CD2-CG 4.21Å; F888-R928 HydrophobicContact CE2-CG 3.87Å; F888-R928 VanDerWaalsContact CE2-CZ 3.43Å; F888-R928 VanDerWaalsContact CZ-CZ 3.43Å; F888-R928 VanDerWaalsContact CZ-NH1 3.32Å
889I93.8Very high89.6Confident43 Ų4351.6 Ų51.622%0.22129%0.288CS..EExtended strand (participates in β ladder)trans-87.4116.2163.4-54.9172.5000106.4N893 F898 L900 L907 I925I889-N893 HydrophobicContact CD1-CB 4.21Å; I889-N893 HydrophobicContact CG2-CB 3.79Å; I889-F898 HydrophobicContact CD1-CB 4.47Å; I889-L900 HydrophobicContact CD1-CB 3.91Å; I889-L900 HydrophobicContact CG1-CB 3.67Å; I889-L900 HydrophobicContact CG1-CD2 3.91Å; I889-L900 HydrophobicContact CG1-CG 4.48Å; I889-L907 HydrophobicContact CD1-CD1 4.03Å; I889-L907 HydrophobicContact CG1-CD1 4.48Å; I889-I925 HydrophobicContact CG1-CD1 4.11Å; I889-I925 HydrophobicContact CG2-CD1 4.49Å
890H91.1Very high90.2Very high90 Ų9052 Ų5242%0.41729%0.288SS..EExtended strand (participates in β ladder)trans-81.2-42.4-177.8-174.388000111.8K924 E926 R938H890-K924 HydrophobicContact CB-CB 4.19Å; H890-K924 WeakPolarHBondContact CB-O 3.27Å; H890-K924 PolarHBondContact N-O 3.08Å; H890-E926 HydrophobicContact CB-CB 4.13Å; H890-E926 IonicContact CE1-OE2 2.7Å; H890-E926 IonicContact CG-OE2 2.65Å; H890-E926 IonicContact ND1-OE2 3.86Å; H890-E926 PolarHBondContact ND1-OE2 2.74Å; H890-R938 PolarHBondContact CE1-NE 3.02Å; H890-R938 VanDerWaalsContact CE1-NE 3.29Å; H890-R938 PolarHBondContact CE1-NH2 2.87Å; H890-R938 VanDerWaalsContact CE1-NH2 3.35Å; H890-R938 PolarHBondContact ND1-NE 2.73Å; H890-R938 VanDerWaalsContact ND1-NE 3.16Å
891S92.1Very high90.7Very high49 Ų4954.5 Ų54.534%0.34329%0.287SS..EExtended strand (participates in β ladder)trans-163.9171.617461.50000112.5K924S891-K924 PolarHBondContact N-O 3.11Å; S891-K924 PolarHBondContact O-N 3.19Å
892G88.6Confident91.1Very high21 Ų2151.9 Ų51.922%0.21627%0.273CS..SBendtrans93-3.6177.600000114.7D894 L923G892-D894 PolarHBondContact N-OD1 3.22Å; G892-L923 VanDerWaalsContact C-CD2 3.49Å; G892-L923 VanDerWaalsContact O-CD2 3.25Å; G892-L923 WeakPolarHBondContact O-CD2 3.17Å
893N92Very high91.2Very high18 Ų1855.7 Ų55.710%0.09629%0.293CS..  trans-107.333.2175.8-173.939.7000111.8I889 Q895 N896 Y897 F898 L923I889-N893 HydrophobicContact CD1-CB 4.21Å; I889-N893 HydrophobicContact CG2-CB 3.79Å; N893-Q895 PolarHBondContact O-N 2.87Å; N893-N896 WeakPolarHBondContact O-CA 3.5Å; N893-N896 PolarHBondContact O-N 2.96Å; N893-Y897 PolarHBondContact OD1-N 3.44Å; N893-F898 PolarHBondContact ND2-O 2.94Å; N893-F898 PolarHBondContact OD1-N 3.45Å; N893-L923 HydrophobicContact CB-CD2 4Å
894D87Confident91.3Very high129 Ų12957.7 Ų57.769%0.6930%0.303SS*.THydrogen-bonded Turntrans-61.5-22.8-167.3-45.5-14.1000113.1G892G892-D894 PolarHBondContact N-OD1 3.22Å
895Q87.3Confident91.4Very high114 Ų11454.5 Ų54.553%0.53328%0.284SS..THydrogen-bonded Turntrans-90.1-1.9175.8-60.5-57.8-45.300114.2N893 Y897N893-Q895 PolarHBondContact O-N 2.87Å; Q895-Y897 VanDerWaalsContact C-N 3.28Å; Q895-Y897 HydrophobicContact CB-CD2 3.69Å; Q895-Y897 HydrophobicContact CB-CE1 4.25Å; Q895-Y897 HydrophobicContact CB-CE2 3.36Å; Q895-Y897 HydrophobicContact CB-CG 4.26Å; Q895-Y897 HydrophobicContact CG-CD2 4.48Å; Q895-Y897 HydrophobicContact CG-CE2 3.8Å; Q895-Y897 PolarHBondContact O-N 3.11Å
896N91.5Very high91.5Very high95 Ų9555 Ų5551%0.50829%0.287SS..  trans53.237.4-176-65.5-75.2000114.4N893 F898 N910N893-N896 WeakPolarHBondContact O-CA 3.5Å; N893-N896 PolarHBondContact O-N 2.96Å; N896-F898 VanDerWaalsContact C-N 3.26Å; N896-N910 PolarHBondContact O-ND2 3.43Å
897Y92Very high91.5Very high32 Ų3254.5 Ų54.513%0.12528%0.284CS..  trans-65.9-32.1172-65.7-50.4000112N893 Q895 I909 N910 K911 P914 A917N893-Y897 PolarHBondContact OD1-N 3.44Å; Q895-Y897 VanDerWaalsContact C-N 3.28Å; Q895-Y897 HydrophobicContact CB-CD2 3.69Å; Q895-Y897 HydrophobicContact CB-CE1 4.25Å; Q895-Y897 HydrophobicContact CB-CE2 3.36Å; Q895-Y897 HydrophobicContact CB-CG 4.26Å; Q895-Y897 HydrophobicContact CG-CD2 4.48Å; Q895-Y897 HydrophobicContact CG-CE2 3.8Å; Q895-Y897 PolarHBondContact O-N 3.11Å; Y897-I909 CarbonylContact O-C 3.57Å; Y897-N910 PolarHBondContact O-N 2.99Å; Y897-K911 HydrophobicContact CD1-CB 4.43Å; Y897-K911 HydrophobicContact CD1-CD 4.31Å; Y897-K911 HydrophobicContact CD1-CG 4.48Å; Y897-K911 HydrophobicContact CE1-CD 4.34Å; Y897-K911 PolarHBondContact O-N 2.98Å; Y897-P914 HydrophobicContact CE1-CG 4.2Å; Y897-P914 WeakPolarHBondContact OH-CD 3.01Å; Y897-P914 WeakPolarHBondContact OH-CG 3.2Å; Y897-A917 HydrophobicContact CE2-CB 4.27Å
898F93.9Very high91.4Very high2 Ų254.5 Ų54.51%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-112.2156.7-175.7-52.5-70.1000111.6L859 F869 I889 N893 N896 L907 S908 I909 I913 L921 L923 L943 I945L859-F898 HydrophobicContact CD2-CE1 3.71Å; L859-F898 HydrophobicContact CD2-CZ 4.24Å; F869-F898 AromaticContact CE1-CD1 3.54Å; F869-F898 HydrophobicContact CE1-CD1 3.54Å; F869-F898 AromaticContact CE1-CE1 3.91Å; F869-F898 HydrophobicContact CE1-CE1 3.91Å; F869-F898 AromaticContact CZ-CD1 3.47Å; F869-F898 HydrophobicContact CZ-CD1 3.47Å; F869-F898 VanDerWaalsContact CZ-CD1 3.47Å; F869-F898 AromaticContact CZ-CE1 3.79Å; F869-F898 HydrophobicContact CZ-CE1 3.79Å; F869-F898 HydrophobicContact CZ-CG 4.34Å; I889-F898 HydrophobicContact CD1-CB 4.47Å; N893-F898 PolarHBondContact ND2-O 2.94Å; N893-F898 PolarHBondContact OD1-N 3.45Å; N896-F898 VanDerWaalsContact C-N 3.26Å; F898-L907 HydrophobicContact CB-CD1 4.4Å; F898-S908 CarbonylContact C-O 3.4Å; F898-S908 WeakPolarHBondContact CA-O 3.21Å; F898-I909 HydrophobicContact CE1-CG1 4.49Å; F898-I913 HydrophobicContact CE1-CD1 3.87Å; F898-I913 HydrophobicContact CZ-CD1 3.88Å; F898-L921 HydrophobicContact CD2-CD2 4.21Å; F898-L921 HydrophobicContact CE2-CD2 3.5Å; F898-L921 HydrophobicContact CZ-CD2 4.42Å; F898-L923 HydrophobicContact CB-CD1 4.24Å; F898-L923 HydrophobicContact CD2-CD1 4Å; F898-L923 HydrophobicContact CD2-CD2 4.18Å; F898-L923 HydrophobicContact CG-CD1 4.14Å; F898-L943 HydrophobicContact CD1-CD1 4.21Å; F898-L943 HydrophobicContact CD2-CD1 4.14Å; F898-L943 HydrophobicContact CE1-CD1 3.83Å; F898-L943 HydrophobicContact CE2-CD1 3.79Å; F898-L943 HydrophobicContact CG-CD1 4.34Å; F898-L943 HydrophobicContact CZ-CD1 3.61Å; F898-I945 HydrophobicContact CZ-CD1 4.26Å
899T93.9Very high91.3Very high61 Ų6151.7 Ų51.737%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-136.7141.3166.3-176.70000109.7L907 S908 N910T899-L907 WeakPolarHBondContact O-CA 3.27Å; T899-S908 VanDerWaalsContact CG2-OG 3.28Å; T899-S908 WeakPolarHBondContact CG2-OG 3.38Å; T899-S908 PolarHBondContact N-O 3.33Å; T899-S908 PolarHBondContact O-N 2.91Å; T899-N910 HydrophobicContact CG2-CB 3.98Å
900L94.2Very high91.2Very high21 Ų2152.4 Ų52.411%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-114.9118.1-179.5-179.452.3000108.7I872 I889 K902 G905 L907 I925I872-L900 HydrophobicContact CB-CD1 4.26Å; I872-L900 HydrophobicContact CG1-CD1 3.63Å; I872-L900 HydrophobicContact CG1-CD2 4.24Å; I889-L900 HydrophobicContact CD1-CB 3.91Å; I889-L900 HydrophobicContact CG1-CB 3.67Å; I889-L900 HydrophobicContact CG1-CD2 3.91Å; I889-L900 HydrophobicContact CG1-CG 4.48Å; L900-K902 PolarHBondContact O-N 2.77Å; L900-G905 VanDerWaalsContact CD1-C 3.45Å; L900-G905 WeakPolarHBondContact CD1-O 3.44Å; L900-L907 HydrophobicContact CB-CD1 3.76Å; L900-L907 HydrophobicContact CD1-CB 4.23Å; L900-L907 HydrophobicContact CD1-CD1 4.04Å; L900-L907 HydrophobicContact CG-CD1 4.35Å; L900-I925 HydrophobicContact CD2-CD1 4.29Å; L900-I925 HydrophobicContact CD2-CG2 3.87Å
901H92.9Very high91.1Very high103 Ų10353 Ų5348%0.47728%0.281SS..  trans-77.4108.1179.6-176-101000110.7N903 T904 G905 T906H901-N903 PolarHBondContact O-N 3.06Å; H901-T904 WeakPolarHBondContact CB-OG1 3.22Å; H901-T904 WeakPolarHBondContact ND1-CG2 3.49Å; H901-T904 PolarHBondContact ND1-OG1 3.43Å; H901-T904 PolarHBondContact O-N 2.96Å; H901-T904 VanDerWaalsContact O-N 3.07Å; H901-G905 PolarHBondContact O-N 2.89Å; H901-T906 WeakPolarHBondContact CB-OG1 3.37Å; H901-T906 PolarHBondContact N-O 3.2Å
902K92.2Very high90.8Very high89 Ų8958.2 Ų58.239%0.38730%0.3SS..THydrogen-bonded Turntrans-40.9-41.3-171.5-177.3-167.3166-166.60115.2I886 Y887 F888 L900I886-K902 HydrophobicContact CB-CD 4.46Å; I886-K902 HydrophobicContact CB-CG 3.95Å; I886-K902 VanDerWaalsContact CD1-CE 3.43Å; I886-K902 HydrophobicContact CG2-CD 4.49Å; I886-K902 HydrophobicContact CG2-CG 4.21Å; Y887-K902 WeakPolarHBondContact CD2-O 3.08Å; Y887-K902 PolarHBondContact N-O 3.13Å; Y887-K902 WeakPolarHBondContact O-CA 3.42Å; F888-K902 HydrophobicContact CE1-CG 4.5Å; F888-K902 HydrophobicContact CZ-CD 4.09Å; F888-K902 HydrophobicContact CZ-CG 4.09Å; L900-K902 PolarHBondContact O-N 2.77Å
903N89.1Confident90.8Very high112 Ų11257.3 Ų57.360%0.59929%0.29SS*.THydrogen-bonded Turntrans-99.9-10.1-170.6-65.930.5000114.3H901H901-N903 PolarHBondContact O-N 3.06Å
904T87.2Confident90.6Very high55 Ų5558.6 Ų58.634%0.33730%0.299SS..THydrogen-bonded Turntrans-119.5-14.7-179.757.70000113.1Q871 H901 T906Q871-T904 WeakPolarHBondContact CG-O 2.98Å; Q871-T904 PolarHBondContact NE2-O 2.99Å; H901-T904 WeakPolarHBondContact CB-OG1 3.22Å; H901-T904 WeakPolarHBondContact ND1-CG2 3.49Å; H901-T904 PolarHBondContact ND1-OG1 3.43Å; H901-T904 PolarHBondContact O-N 2.96Å; H901-T904 VanDerWaalsContact O-N 3.07Å; T904-T906 PolarHBondContact O-N 3.36Å; T904-T906 PolarHBondContact OG1-N 2.99Å; T904-T906 PolarHBondContact OG1-OG1 3.01Å
905G89.3Confident90.5Very high0 Ų059.7 Ų59.70%029%0.294CS..  trans70.91.1-173.800000114.1Q871 I872 L900 H901 L907Q871-G905 CarbonylContact C-O 3.49Å; Q871-G905 WeakPolarHBondContact CA-O 3.22Å; I872-G905 WeakPolarHBondContact CB-O 3.46Å; I872-G905 WeakPolarHBondContact CG1-O 3.33Å; I872-G905 PolarHBondContact N-O 2.79Å; I872-G905 WeakPolarHBondContact O-CA 3.45Å; L900-G905 VanDerWaalsContact CD1-C 3.45Å; L900-G905 WeakPolarHBondContact CD1-O 3.44Å; H901-G905 PolarHBondContact O-N 2.89Å; G905-L907 PolarHBondContact O-N 3.43Å
906T91.7Very high90.5Very high31 Ų3160.4 Ų60.419%0.1931%0.307CS..EExtended strand (participates in β ladder)trans-66.512018051.50000110.4I868 Q871 H901 T904I868-T906 HydrophobicContact CG2-CG2 4.24Å; Q871-T906 HydrophobicContact CB-CG2 4.42Å; Q871-T906 HydrophobicContact CG-CG2 4.03Å; H901-T906 WeakPolarHBondContact CB-OG1 3.37Å; H901-T906 PolarHBondContact N-O 3.2Å; T904-T906 PolarHBondContact O-N 3.36Å; T904-T906 PolarHBondContact OG1-N 2.99Å; T904-T906 PolarHBondContact OG1-OG1 3.01Å
907L92.3Very high90Very high0 Ų057.1 Ų57.10%029%0.293CS..EExtended strand (participates in β ladder)trans-102.2124.3-179.1-16972.6000108.5F869 T870 I889 F898 T899 L900 G905 L923 L941F869-L907 WeakPolarHBondContact CD1-O 3.31Å; F869-L907 HydrophobicContact CE1-CD2 4.49Å; F869-L907 HydrophobicContact CE1-CG 4.13Å; F869-L907 HydrophobicContact CE2-CD2 3.58Å; F869-L907 HydrophobicContact CE2-CG 4.06Å; F869-L907 HydrophobicContact CZ-CB 4.24Å; F869-L907 HydrophobicContact CZ-CD2 3.45Å; F869-L907 VanDerWaalsContact CZ-CD2 3.45Å; F869-L907 HydrophobicContact CZ-CG 3.52Å; F869-L907 PolarHBondContact N-O 3.44Å; T870-L907 HydrophobicContact CG2-CB 3.77Å; T870-L907 HydrophobicContact CG2-CD2 3.89Å; T870-L907 HydrophobicContact CG2-CG 4.44Å; T870-L907 PolarHBondContact O-N 2.98Å; I889-L907 HydrophobicContact CD1-CD1 4.03Å; I889-L907 HydrophobicContact CG1-CD1 4.48Å; F898-L907 HydrophobicContact CB-CD1 4.4Å; T899-L907 WeakPolarHBondContact O-CA 3.27Å; L900-L907 HydrophobicContact CB-CD1 3.76Å; L900-L907 HydrophobicContact CD1-CB 4.23Å; L900-L907 HydrophobicContact CD1-CD1 4.04Å; L900-L907 HydrophobicContact CG-CD1 4.35Å; G905-L907 PolarHBondContact O-N 3.43Å; L907-L923 HydrophobicContact CD1-CD1 4.42Å; L907-L923 HydrophobicContact CD2-CD1 4.03Å; L907-L941 HydrophobicContact CD2-CD2 3.41Å; L907-L941 VanDerWaalsContact CD2-CD2 3.41Å
908S92.5Very high89.8Confident19 Ų1958.7 Ų58.713%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-140.6161.7-171.364.30000113.3Y867 F898 T899 N910Y867-S908 CarbonylContact O-C 3.58Å; Y867-S908 WeakPolarHBondContact O-CA 3.46Å; Y867-S908 VanDerWaalsContact O-CB 3.29Å; Y867-S908 WeakPolarHBondContact O-CB 3.48Å; F898-S908 CarbonylContact C-O 3.4Å; F898-S908 WeakPolarHBondContact CA-O 3.21Å; T899-S908 VanDerWaalsContact CG2-OG 3.28Å; T899-S908 WeakPolarHBondContact CG2-OG 3.38Å; T899-S908 PolarHBondContact N-O 3.33Å; T899-S908 PolarHBondContact O-N 2.91Å; S908-N910 PolarHBondContact O-N 3.43Å
909I92.2Very high89.4Confident1 Ų160.1 Ų60.11%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-76.1113.6179.9-60-178.7000109.7L859 E863 G866 Y867 F869 Y897 F898 K911 I913L859-I909 HydrophobicContact CD1-CD1 4.43Å; L859-I909 HydrophobicContact CD2-CD1 4.2Å; L859-I909 HydrophobicContact CD2-CG1 4.5Å; E863-I909 HydrophobicContact CB-CD1 3.36Å; E863-I909 HydrophobicContact CG-CD1 4.36Å; G866-I909 PolarHBondContact N-O 2.73Å; Y867-I909 HydrophobicContact CD1-CD1 4.23Å; Y867-I909 PolarHBondContact O-N 3.29Å; F869-I909 HydrophobicContact CD1-CG1 4.12Å; F869-I909 HydrophobicContact CE1-CG1 4.17Å; Y897-I909 CarbonylContact O-C 3.57Å; F898-I909 HydrophobicContact CE1-CG1 4.49Å; I909-K911 WeakPolarHBondContact CG2-O 3.13Å; I909-I913 HydrophobicContact CD1-CD1 3.94Å; I909-I913 HydrophobicContact CG1-CD1 4.33Å; I909-I913 HydrophobicContact CG2-CG1 4.41Å
910N92Very high89Confident58 Ų5860.4 Ų60.431%0.3133%0.333SS..SBendtrans-85.2-30.6177176.852.1000112.8K865 N896 Y897 T899 S908K865-N910 VanDerWaalsContact CD-O 3.24Å; K865-N910 WeakPolarHBondContact CD-O 3.43Å; K865-N910 WeakPolarHBondContact CE-O 3.1Å; K865-N910 PolarHBondContact NZ-O 2.76Å; N896-N910 PolarHBondContact O-ND2 3.43Å; Y897-N910 PolarHBondContact O-N 2.99Å; T899-N910 HydrophobicContact CG2-CB 3.98Å; S908-N910 PolarHBondContact O-N 3.43Å
911K88.7Confident88.7Confident104 Ų10461.9 Ų61.945%0.45234%0.341SS..SBendtrans-145.3142.5-176.2-179.8-173.3172.9-168.10109.1Y897 I909 I913Y897-K911 HydrophobicContact CD1-CB 4.43Å; Y897-K911 HydrophobicContact CD1-CD 4.31Å; Y897-K911 HydrophobicContact CD1-CG 4.48Å; Y897-K911 HydrophobicContact CE1-CD 4.34Å; Y897-K911 PolarHBondContact O-N 2.98Å; I909-K911 WeakPolarHBondContact CG2-O 3.13Å; K911-I913 PolarHBondContact O-N 3.16Å
912E86.4Confident88.5Confident158 Ų15859.9 Ų59.974%0.73834%0.336SS*.  trans-48.2133.1174.4-173.6176.7-172.600111.6
913I88.3Confident88.5Confident2 Ų255.7 Ų55.71%0.0132%0.318CS..  trans-91.7114.6-175.9-58.8177000107.3L859 F898 I909 K911 A917 I945L859-I913 HydrophobicContact CD2-CD1 3.75Å; F898-I913 HydrophobicContact CE1-CD1 3.87Å; F898-I913 HydrophobicContact CZ-CD1 3.88Å; I909-I913 HydrophobicContact CD1-CD1 3.94Å; I909-I913 HydrophobicContact CG1-CD1 4.33Å; I909-I913 HydrophobicContact CG2-CG1 4.41Å; K911-I913 PolarHBondContact O-N 3.16Å; I913-A917 HydrophobicContact CG2-CB 3.84Å; I913-I945 HydrophobicContact CG2-CD1 4.19Å; I913-I945 HydrophobicContact CG2-CG2 3.96Å
914P88.9Confident88.5Confident44 Ų4454 Ų5429%0.28631%0.305SS..  trans-71.3154.1-179.331-35.4000110.6Y897 T916 A917Y897-P914 HydrophobicContact CE1-CG 4.2Å; Y897-P914 WeakPolarHBondContact OH-CD 3.01Å; Y897-P914 WeakPolarHBondContact OH-CG 3.2Å; P914-T916 PolarHBondContact O-N 3.05Å; P914-A917 HydrophobicContact CG-CB 4.15Å; P914-A917 WeakPolarHBondContact O-CB 3.27Å; P914-A917 PolarHBondContact O-N 3.47Å
915Y84.8Confident88.8Confident152 Ų15251.4 Ų51.460%0.59629%0.289SS*.G310 helixtrans-52.6-28.2174.2-171.5-85.6000113.2Y861 A917 I918Y861-Y915 HydrophobicContact CD1-CD2 4.47Å; Y861-Y915 AromaticContact CE1-CD2 3.7Å; Y861-Y915 HydrophobicContact CE1-CD2 3.7Å; Y861-Y915 HydrophobicContact CE1-CE2 4.12Å; Y861-Y915 HydrophobicContact CE2-CD2 4.3Å; Y861-Y915 AromaticContact CZ-CD2 3.62Å; Y915-A917 PolarHBondContact O-N 2.9Å; Y915-I918 HydrophobicContact CD1-CD1 4.13Å; Y915-I918 HydrophobicContact CD2-CD1 3.54Å; Y915-I918 HydrophobicContact CE1-CD1 4.09Å; Y915-I918 HydrophobicContact CE2-CD1 3.5Å; Y915-I918 HydrophobicContact CG-CD1 3.86Å; Y915-I918 WeakPolarHBondContact O-CB 3.32Å; Y915-I918 WeakPolarHBondContact O-CD1 3.24Å; Y915-I918 VanDerWaalsContact O-CG1 3.29Å; Y915-I918 WeakPolarHBondContact O-CG1 3.29Å; Y915-I918 PolarHBondContact O-N 3.18Å
916T86.1Confident89Confident130 Ų13052.3 Ų52.380%0.79829%0.294SS*.G310 helixtrans-71-6.2175.651.70000114.8P914P914-T916 PolarHBondContact O-N 3.05Å
917A82.2Confident89.1Confident25 Ų2550.9 Ų50.921%0.20729%0.285CS..G310 helixtrans-100.96.517500000113.5Y897 I913 P914 Y915 G919 I945Y897-A917 HydrophobicContact CE2-CB 4.27Å; I913-A917 HydrophobicContact CG2-CB 3.84Å; P914-A917 HydrophobicContact CG-CB 4.15Å; P914-A917 WeakPolarHBondContact O-CB 3.27Å; P914-A917 PolarHBondContact O-N 3.47Å; Y915-A917 PolarHBondContact O-N 2.9Å; A917-G919 PolarHBondContact O-N 2.68Å; A917-I945 WeakPolarHBondContact O-CB 3.21Å; A917-I945 WeakPolarHBondContact O-CD1 3.17Å
918I86.4Confident89.2Confident65 Ų6554.4 Ų54.433%0.33330%0.298SS..  trans-59133.4170-70.5171.1000109.9Y861 Y915 I945Y861-I918 HydrophobicContact CD1-CD1 3.63Å; Y861-I918 HydrophobicContact CD1-CG1 3.76Å; Y861-I918 HydrophobicContact CE1-CD1 3.74Å; Y861-I918 HydrophobicContact CE1-CG1 4.39Å; Y861-I918 HydrophobicContact CG-CG1 4.46Å; Y915-I918 HydrophobicContact CD1-CD1 4.13Å; Y915-I918 HydrophobicContact CD2-CD1 3.54Å; Y915-I918 HydrophobicContact CE1-CD1 4.09Å; Y915-I918 HydrophobicContact CE2-CD1 3.5Å; Y915-I918 HydrophobicContact CG-CD1 3.86Å; Y915-I918 WeakPolarHBondContact O-CB 3.32Å; Y915-I918 WeakPolarHBondContact O-CD1 3.24Å; Y915-I918 VanDerWaalsContact O-CG1 3.29Å; Y915-I918 WeakPolarHBondContact O-CG1 3.29Å; Y915-I918 PolarHBondContact O-N 3.18Å; I918-I945 WeakPolarHBondContact CA-O 3.45Å; I918-I945 HydrophobicContact CG1-CG2 4.42Å; I918-I945 WeakPolarHBondContact CG2-O 3.33Å
919G85.8Confident89.1Confident33 Ų3353.5 Ų53.534%0.3429%0.292SS..EExtended strand (participates in β ladder)trans131.8-168.6-176.500000113.5A917 I945A917-G919 PolarHBondContact O-N 2.68Å; G919-I945 PolarHBondContact N-O 3.04Å; G919-I945 PolarHBondContact O-N 2.87Å
920G85.4Confident89.1Confident67 Ų6755.4 Ų55.469%0.69131%0.305SS*.EExtended strand (participates in β ladder)trans-85.8124.7177.400000112.3L943G920-L943 CarbonylContact C-O 3.55Å; G920-L943 WeakPolarHBondContact CA-O 3.48Å
921L88.4Confident88.7Confident51 Ų5152.7 Ų52.727%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-121.1126.9171.8-177.774.1000110.1F898 L923 L943F898-L921 HydrophobicContact CD2-CD2 4.21Å; F898-L921 HydrophobicContact CE2-CD2 3.5Å; F898-L921 HydrophobicContact CZ-CD2 4.42Å; L921-L923 HydrophobicContact CD2-CD2 3.91Å; L921-L923 HydrophobicContact CG-CD2 4.29Å; L921-L943 PolarHBondContact N-O 2.76Å; L921-L943 PolarHBondContact O-N 3.3Å
922T88.9Confident88.4Confident62 Ų6255.6 Ų55.638%0.3831%0.305SS..EExtended strand (participates in β ladder)trans-98.6117.5175.1-53.30000110.7D940 L941T922-D940 HydrophobicContact CG2-CB 3.76Å; T922-L941 CarbonylContact C-O 3.45Å; T922-L941 WeakPolarHBondContact CA-O 3.43Å
923L91.1Very high88.5Confident0 Ų052.4 Ų52.40%030%0.299CS..EExtended strand (participates in β ladder)trans-91.8126.7167.3-56.6-172.6000109.4G892 N893 F898 L907 L921 I925 L941 L943G892-L923 VanDerWaalsContact C-CD2 3.49Å; G892-L923 VanDerWaalsContact O-CD2 3.25Å; G892-L923 WeakPolarHBondContact O-CD2 3.17Å; N893-L923 HydrophobicContact CB-CD2 4Å; F898-L923 HydrophobicContact CB-CD1 4.24Å; F898-L923 HydrophobicContact CD2-CD1 4Å; F898-L923 HydrophobicContact CD2-CD2 4.18Å; F898-L923 HydrophobicContact CG-CD1 4.14Å; L907-L923 HydrophobicContact CD1-CD1 4.42Å; L907-L923 HydrophobicContact CD2-CD1 4.03Å; L921-L923 HydrophobicContact CD2-CD2 3.91Å; L921-L923 HydrophobicContact CG-CD2 4.29Å; L923-I925 HydrophobicContact CB-CD1 3.82Å; L923-I925 HydrophobicContact CB-CG1 4.5Å; L923-I925 HydrophobicContact CD1-CD1 4.46Å; L923-L941 HydrophobicContact CB-CB 4.4Å; L923-L941 PolarHBondContact N-O 2.81Å; L923-L941 PolarHBondContact O-N 2.67Å; L923-L943 HydrophobicContact CD1-CD1 3.8Å; L923-L943 HydrophobicContact CG-CD1 4.07Å; L923-L943 HydrophobicContact CG-CG 4.48Å
924K90.9Very high88.6Confident77 Ų7758.2 Ų58.234%0.33532%0.321SS..EExtended strand (participates in β ladder)trans-83.3117166.5-65.2-160.9171.9-75.90108.4H890 S891 D940H890-K924 HydrophobicContact CB-CB 4.19Å; H890-K924 WeakPolarHBondContact CB-O 3.27Å; H890-K924 PolarHBondContact N-O 3.08Å; S891-K924 PolarHBondContact N-O 3.11Å; S891-K924 PolarHBondContact O-N 3.19Å; K924-D940 IonicContact NZ-OD1 2.63Å; K924-D940 PolarHBondContact NZ-OD1 2.96Å; K924-D940 IonicContact NZ-OD2 3.84Å; K924-D940 PolarHBondContact NZ-OD2 3.05Å
925I92.5Very high88.7Confident0 Ų058.7 Ų58.70%032%0.319CS..EExtended strand (participates in β ladder)trans-104136.4179.3-49.5-58.7000108.4F844 I872 I889 L900 L923 R938 T939 L941F844-I925 HydrophobicContact CE1-CB 4.43Å; F844-I925 HydrophobicContact CE1-CG2 3.92Å; F844-I925 HydrophobicContact CZ-CB 4.38Å; F844-I925 HydrophobicContact CZ-CG2 4.08Å; I872-I925 HydrophobicContact CD1-CG1 4.09Å; I872-I925 HydrophobicContact CD1-CG2 4.26Å; I872-I925 HydrophobicContact CG1-CG2 4.16Å; I872-I925 HydrophobicContact CG2-CG2 3.89Å; I889-I925 HydrophobicContact CG1-CD1 4.11Å; I889-I925 HydrophobicContact CG2-CD1 4.49Å; L900-I925 HydrophobicContact CD2-CD1 4.29Å; L900-I925 HydrophobicContact CD2-CG2 3.87Å; L923-I925 HydrophobicContact CB-CD1 3.82Å; L923-I925 HydrophobicContact CB-CG1 4.5Å; L923-I925 HydrophobicContact CD1-CD1 4.46Å; I925-R938 CarbonylContact O-C 3.51Å; I925-R938 VanDerWaalsContact O-CA 3.27Å; I925-R938 WeakPolarHBondContact O-CA 3.39Å; I925-T939 HydrophobicContact CB-CG2 4.02Å; I925-T939 PolarHBondContact N-O 2.76Å; I925-T939 PolarHBondContact O-N 2.93Å; I925-L941 HydrophobicContact CG1-CB 4.09Å
926E93.6Very high89.1Confident20 Ų2056.5 Ų56.59%0.09331%0.311CS..EExtended strand (participates in β ladder)trans-114.6132.3176.5-179.6177.2113.800109.1F888 H890 Y936 T937 R938F888-E926 HydrophobicContact CB-CB 4.36Å; F888-E926 PolarHBondContact N-O 3.49Å; F888-E926 PolarHBondContact O-N 2.8Å; H890-E926 HydrophobicContact CB-CB 4.13Å; H890-E926 IonicContact CE1-OE2 2.7Å; H890-E926 IonicContact CG-OE2 2.65Å; H890-E926 IonicContact ND1-OE2 3.86Å; H890-E926 PolarHBondContact ND1-OE2 2.74Å; E926-Y936 HydrophobicContact CG-CD2 4.46Å; E926-T937 WeakPolarHBondContact CA-O 3.36Å; E926-R938 HydrophobicContact CB-CG 4.1Å; E926-R938 HydrophobicContact CG-CG 4.14Å; E926-R938 IonicContact OE2-CZ 3.66Å; E926-R938 IonicContact OE2-NE 3.62Å; E926-R938 PolarHBondContact OE2-NE 2.78Å; E926-R938 IonicContact OE2-NH2 2.82Å; E926-R938 PolarHBondContact OE2-NH2 3.08Å
927A93.3Very high89.4Confident0 Ų052.2 Ų52.20%029%0.285CS..EExtended strand (participates in β ladder)trans-117.4126.2170.600000106.8P842 F844 A874 V885 Y887 Y936 T937P842-A927 HydrophobicContact CB-CB 3.86Å; F844-A927 HydrophobicContact CE1-CB 3.78Å; F844-A927 HydrophobicContact CE2-CB 3.77Å; F844-A927 HydrophobicContact CZ-CB 3.36Å; A874-A927 HydrophobicContact CB-CB 3.83Å; V885-A927 HydrophobicContact CG1-CB 3.83Å; Y887-A927 HydrophobicContact CD1-CB 4.14Å; Y887-A927 HydrophobicContact CE1-CB 4.26Å; A927-Y936 CarbonylContact O-C 3.34Å; A927-Y936 VanDerWaalsContact O-CA 3.25Å; A927-Y936 WeakPolarHBondContact O-CA 3.4Å; A927-Y936 WeakPolarHBondContact O-CB 3.38Å; A927-T937 PolarHBondContact N-O 3.37Å; A927-T937 PolarHBondContact O-N 3Å
928R94.1Very high89.8Confident75 Ų7556.2 Ų56.228%0.28329%0.294SS..EExtended strand (participates in β ladder)trans-132.7149.3177.771.7-179.1-152.1-142.66.8109.3V885 I886 F888 Y934 H935V885-R928 CarbonylContact C-O 3.58Å; V885-R928 WeakPolarHBondContact CA-O 3.47Å; I886-R928 HydrophobicContact CD1-CG 4.09Å; I886-R928 HydrophobicContact CG1-CG 3.79Å; I886-R928 WeakPolarHBondContact CG1-O 3.25Å; I886-R928 PolarHBondContact N-O 3.19Å; I886-R928 PolarHBondContact O-N 2.8Å; I886-R928 VanDerWaalsContact O-N 3.13Å; F888-R928 HydrophobicContact CD2-CG 4.21Å; F888-R928 HydrophobicContact CE2-CG 3.87Å; F888-R928 VanDerWaalsContact CE2-CZ 3.43Å; F888-R928 VanDerWaalsContact CZ-CZ 3.43Å; F888-R928 VanDerWaalsContact CZ-NH1 3.32Å; R928-Y934 HydrophobicContact CB-CD2 4.41Å; R928-H935 WeakPolarHBondContact CA-O 3.4Å; R928-H935 VanDerWaalsContact CB-O 3.24Å; R928-H935 WeakPolarHBondContact CB-O 3.15Å
929D92.2Very high89.9Confident0 Ų053.5 Ų53.50%028%0.281CS..  trans-74-174.9170.651.286.5000111.7N838 P842 N882 T884 G931 Y934 H935N838-D929 PolarHBondContact ND2-OD1 2.77Å; N838-D929 PolarHBondContact OD1-OD1 2.81Å; P842-D929 HydrophobicContact CG-CB 4.32Å; N882-D929 WeakPolarHBondContact O-CB 3.33Å; T884-D929 CarbonylContact O-C 3.36Å; T884-D929 WeakPolarHBondContact O-CA 3.31Å; D929-G931 WeakPolarHBondContact OD1-CA 3.31Å; D929-G931 PolarHBondContact OD1-N 3.2Å; D929-Y934 VanDerWaalsContact OD1-CA 3.22Å; D929-Y934 WeakPolarHBondContact OD1-CA 3.34Å; D929-H935 PolarHBondContact OD1-N 2.81Å; D929-H935 VanDerWaalsContact OD1-N 3.15Å; D929-H935 WeakPolarHBondContact OD2-CA 3.37Å; D929-H935 VanDerWaalsContact OD2-CB 3.27Å; D929-H935 WeakPolarHBondContact OD2-CB 3.22Å; D929-H935 PolarHBondContact OD2-N 3Å
930C90.4Very high90Very high41 Ų4155 Ų5528%0.27728%0.281SS..SBendtrans-108.610169.9-60.50000112.5E881 T884E881-C930 HydrophobicContact CB-CB 4.11Å; E881-C930 CarbonylContact O-C 3.52Å; E881-C930 WeakPolarHBondContact O-CA 3.38Å; E881-C930 WeakPolarHBondContact O-CB 3.5Å; E881-C930 PolarHBondContact O-N 2.8Å; T884-C930 PolarHBondContact O-N 2.8Å; T884-C930 PolarHBondContact O-SG 3.34Å
931G84.2Confident90.2Very high1 Ų151.9 Ų51.91%0.0125%0.248CC..  trans-68.6176.2-178.600000113.9E881 N882 D929 P933 Y934E881-G931 PolarHBondContact O-N 2.91Å; N882-G931 WeakPolarHBondContact OD1-CA 3.44Å; D929-G931 WeakPolarHBondContact OD1-CA 3.31Å; D929-G931 PolarHBondContact OD1-N 3.2Å; G931-P933 CarbonylContact O-C 3.48Å; G931-Y934 WeakPolarHBondContact O-CA 3.46Å; G931-Y934 WeakPolarHBondContact O-CB 3.45Å; G931-Y934 PolarHBondContact O-N 2.91Å
932Q82.8Confident90.1Very high164 Ų16451.6 Ų51.677%0.76625%0.247SC*.SBendtrans-138110.4-179-67.7-62.2-61.500111.1
933P87.5Confident90.1Very high92 Ų9248.6 Ų48.660%0.59723%0.229SC*.SBendcis-62.8147.6-4.830.6-36.4000111.2N838 G931N838-P933 PolarHBondContact ND2-O 3.15Å; G931-P933 CarbonylContact O-C 3.48Å
934Y90.2Very high90Very high124 Ų12452.1 Ų52.149%0.48625%0.245SC..PPolyproline II helixtrans-75.1141.4175.369.8-87.1000110.4R928 D929 G931 Y936R928-Y934 HydrophobicContact CB-CD2 4.41Å; D929-Y934 VanDerWaalsContact OD1-CA 3.22Å; D929-Y934 WeakPolarHBondContact OD1-CA 3.34Å; G931-Y934 WeakPolarHBondContact O-CA 3.46Å; G931-Y934 WeakPolarHBondContact O-CB 3.45Å; G931-Y934 PolarHBondContact O-N 2.91Å; Y934-Y936 HydrophobicContact CD2-CD1 4.4Å; Y934-Y936 HydrophobicContact CE2-CD1 4.01Å
935H91.3Very high89.9Confident53 Ų5348.7 Ų48.725%0.24523%0.23CC..PPolyproline II helixtrans-100.9171.5170.3-68.9179000109.9N838 N840 S841 R928 D929N838-H935 PolarHBondContact O-CE1 3Å; N840-H935 PolarHBondContact O-ND1 2.93Å; S841-H935 WeakPolarHBondContact OG-CB 3.47Å; R928-H935 WeakPolarHBondContact CA-O 3.4Å; R928-H935 VanDerWaalsContact CB-O 3.24Å; R928-H935 WeakPolarHBondContact CB-O 3.15Å; D929-H935 PolarHBondContact OD1-N 2.81Å; D929-H935 VanDerWaalsContact OD1-N 3.15Å; D929-H935 WeakPolarHBondContact OD2-CA 3.37Å; D929-H935 VanDerWaalsContact OD2-CB 3.27Å; D929-H935 WeakPolarHBondContact OD2-CB 3.22Å; D929-H935 PolarHBondContact OD2-N 3Å
936Y93.5Very high89.8Confident106 Ų10650.7 Ų50.742%0.41624%0.241SC..EExtended strand (participates in β ladder)trans-163.8153.7179.566.2-86.4000112.2E926 A927 Y934 R938E926-Y936 HydrophobicContact CG-CD2 4.46Å; A927-Y936 CarbonylContact O-C 3.34Å; A927-Y936 VanDerWaalsContact O-CA 3.25Å; A927-Y936 WeakPolarHBondContact O-CA 3.4Å; A927-Y936 WeakPolarHBondContact O-CB 3.38Å; Y934-Y936 HydrophobicContact CD2-CD1 4.4Å; Y934-Y936 HydrophobicContact CE2-CD1 4.01Å; Y936-R938 HydrophobicContact CD2-CG 4.34Å; Y936-R938 VanDerWaalsContact CE2-NH2 3.35Å
937T91.9Very high89.5Confident41 Ų4153.9 Ų53.925%0.25226%0.259SS..EExtended strand (participates in β ladder)trans-127.2165.1163.980.80000111.2P842 F844 E926 A927P842-T937 WeakPolarHBondContact O-CB 3.1Å; P842-T937 WeakPolarHBondContact O-CG2 3.44Å; P842-T937 PolarHBondContact O-OG1 3.31Å; F844-T937 VanDerWaalsContact CD2-OG1 3.3Å; F844-T937 WeakPolarHBondContact CD2-OG1 3.35Å; F844-T937 VanDerWaalsContact CE2-OG1 3.24Å; F844-T937 WeakPolarHBondContact CE2-OG1 3.49Å; E926-T937 WeakPolarHBondContact CA-O 3.36Å; A927-T937 PolarHBondContact N-O 3.37Å; A927-T937 PolarHBondContact O-N 3Å
938R91.5Very high89.1Confident108 Ų10855.5 Ų55.541%0.40827%0.27SS..EExtended strand (participates in β ladder)trans-131.6145.1178.7-65.1-179.8-178.8128.28.5110.4H890 I925 E926 Y936H890-R938 PolarHBondContact CE1-NE 3.02Å; H890-R938 VanDerWaalsContact CE1-NE 3.29Å; H890-R938 PolarHBondContact CE1-NH2 2.87Å; H890-R938 VanDerWaalsContact CE1-NH2 3.35Å; H890-R938 PolarHBondContact ND1-NE 2.73Å; H890-R938 VanDerWaalsContact ND1-NE 3.16Å; I925-R938 CarbonylContact O-C 3.51Å; I925-R938 VanDerWaalsContact O-CA 3.27Å; I925-R938 WeakPolarHBondContact O-CA 3.39Å; E926-R938 HydrophobicContact CB-CG 4.1Å; E926-R938 HydrophobicContact CG-CG 4.14Å; E926-R938 IonicContact OE2-CZ 3.66Å; E926-R938 IonicContact OE2-NE 3.62Å; E926-R938 PolarHBondContact OE2-NE 2.78Å; E926-R938 IonicContact OE2-NH2 2.82Å; E926-R938 PolarHBondContact OE2-NH2 3.08Å; Y936-R938 HydrophobicContact CD2-CG 4.34Å; Y936-R938 VanDerWaalsContact CE2-NH2 3.35Å
939T88.5Confident88.5Confident8 Ų856.2 Ų56.25%0.04928%0.284CS..EExtended strand (participates in β ladder)trans-142158.4-179.6-168.20000110.7F844 P847 I925F844-T939 HydrophobicContact CB-CG2 4.47Å; F844-T939 HydrophobicContact CD1-CG2 3.6Å; F844-T939 HydrophobicContact CD2-CG2 3.59Å; F844-T939 HydrophobicContact CE1-CG2 3.52Å; F844-T939 HydrophobicContact CE2-CG2 3.5Å; F844-T939 HydrophobicContact CG-CG2 3.62Å; F844-T939 HydrophobicContact CZ-CG2 3.45Å; F844-T939 VanDerWaalsContact CZ-CG2 3.45Å; P847-T939 HydrophobicContact CG-CG2 3.52Å; P847-T939 PolarHBondContact O-OG1 3.21Å; P847-T939 VanDerWaalsContact O-OG1 3.14Å; I925-T939 HydrophobicContact CB-CG2 4.02Å; I925-T939 PolarHBondContact N-O 2.76Å; I925-T939 PolarHBondContact O-N 2.93Å
940D88.1Confident88.1Confident66 Ų6656.4 Ų56.435%0.35329%0.286SS..EExtended strand (participates in β ladder)trans-108114.5-177.7-76.421.6000109.8T922 K924T922-D940 HydrophobicContact CG2-CB 3.76Å; K924-D940 IonicContact NZ-OD1 2.63Å; K924-D940 PolarHBondContact NZ-OD1 2.96Å; K924-D940 IonicContact NZ-OD2 3.84Å; K924-D940 PolarHBondContact NZ-OD2 3.05Å
941L88.4Confident87.4Confident0 Ų058.4 Ų58.40%029%0.29CS..EExtended strand (participates in β ladder)trans-95122.3174-176.166.3000109.8F846 P847 I857 T870 I872 L907 T922 L923 I925 L943F846-L941 HydrophobicContact CE1-CD1 4.22Å; F846-L941 HydrophobicContact CZ-CD1 4.4Å; P847-L941 HydrophobicContact CB-CD1 3.82Å; P847-L941 HydrophobicContact CG-CB 4.08Å; P847-L941 HydrophobicContact CG-CD1 3.87Å; I857-L941 HydrophobicContact CD1-CD1 3.76Å; I857-L941 HydrophobicContact CD1-CD2 4.34Å; I857-L941 HydrophobicContact CD1-CG 4.45Å; I857-L941 HydrophobicContact CG1-CD1 4.2Å; T870-L941 HydrophobicContact CG2-CD2 4.43Å; I872-L941 HydrophobicContact CD1-CD2 4.03Å; L907-L941 HydrophobicContact CD2-CD2 3.41Å; L907-L941 VanDerWaalsContact CD2-CD2 3.41Å; T922-L941 CarbonylContact C-O 3.45Å; T922-L941 WeakPolarHBondContact CA-O 3.43Å; L923-L941 HydrophobicContact CB-CB 4.4Å; L923-L941 PolarHBondContact N-O 2.81Å; L923-L941 PolarHBondContact O-N 2.67Å; I925-L941 HydrophobicContact CG1-CB 4.09Å; L941-L943 HydrophobicContact CD2-CD2 3.8Å; L941-L943 HydrophobicContact CG-CD2 3.91Å
942I87.2Confident86.7Confident45 Ų4558.9 Ų58.923%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-97113.8179-56.2174.9000108.7T855 K856 I857T855-I942 PolarHBondContact O-N 3.07Å; T855-I942 VanDerWaalsContact O-N 3.08Å; K856-I942 CarbonylContact C-O 3.58Å; K856-I942 VanDerWaalsContact CA-O 3.31Å; K856-I942 WeakPolarHBondContact CA-O 3.22Å; K856-I942 HydrophobicContact CG-CB 4.16Å; K856-I942 HydrophobicContact CG-CG2 4.05Å; I857-I942 PolarHBondContact N-O 3.34Å
943L88.9Confident85.9Confident0 Ų057 Ų570%028%0.281CS..EExtended strand (participates in β ladder)trans-94.7131.8170.3-53.3-173.6000108.9I857 F869 F898 G920 L921 L923 L941I857-L943 HydrophobicContact CB-CD2 4.07Å; I857-L943 HydrophobicContact CD1-CD2 4.3Å; F869-L943 HydrophobicContact CD2-CD2 4.5Å; F869-L943 HydrophobicContact CE2-CD1 4.06Å; F869-L943 HydrophobicContact CE2-CD2 3.68Å; F869-L943 HydrophobicContact CZ-CD1 4.06Å; F869-L943 HydrophobicContact CZ-CD2 4.48Å; F898-L943 HydrophobicContact CD1-CD1 4.21Å; F898-L943 HydrophobicContact CD2-CD1 4.14Å; F898-L943 HydrophobicContact CE1-CD1 3.83Å; F898-L943 HydrophobicContact CE2-CD1 3.79Å; F898-L943 HydrophobicContact CG-CD1 4.34Å; F898-L943 HydrophobicContact CZ-CD1 3.61Å; G920-L943 CarbonylContact C-O 3.55Å; G920-L943 WeakPolarHBondContact CA-O 3.48Å; L921-L943 PolarHBondContact N-O 2.76Å; L921-L943 PolarHBondContact O-N 3.3Å; L923-L943 HydrophobicContact CD1-CD1 3.8Å; L923-L943 HydrophobicContact CG-CD1 4.07Å; L923-L943 HydrophobicContact CG-CG 4.48Å; L941-L943 HydrophobicContact CD2-CD2 3.8Å; L941-L943 HydrophobicContact CG-CD2 3.91Å
944E88.6Confident84.2Confident73 Ų7357.4 Ų57.434%0.34128%0.277SS..EExtended strand (participates in β ladder)trans-113.395.1178.6-172.1153.4-138.100107.4K856 I857 S858 L859K856-E944 VanDerWaalsContact NZ-CD 3.27Å; K856-E944 IonicContact NZ-OE1 2.94Å; K856-E944 PolarHBondContact NZ-OE1 2.85Å; K856-E944 IonicContact NZ-OE2 2.87Å; K856-E944 PolarHBondContact NZ-OE2 2.87Å; I857-E944 PolarHBondContact O-N 3.11Å; S858-E944 CarbonylContact C-O 3.49Å; S858-E944 VanDerWaalsContact CA-O 3.29Å; S858-E944 WeakPolarHBondContact CA-O 3.16Å; L859-E944 PolarHBondContact N-O 3.34Å
945I89.4Confident82.4Confident5 Ų555 Ų553%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-83.8119.2-173.6-60.1172000108.7L859 F898 I913 A917 I918 G919L859-I945 CarbonylContact O-C 3.53Å; L859-I945 VanDerWaalsContact O-CA 3.24Å; L859-I945 WeakPolarHBondContact O-CA 3.31Å; F898-I945 HydrophobicContact CZ-CD1 4.26Å; I913-I945 HydrophobicContact CG2-CD1 4.19Å; I913-I945 HydrophobicContact CG2-CG2 3.96Å; A917-I945 WeakPolarHBondContact O-CB 3.21Å; A917-I945 WeakPolarHBondContact O-CD1 3.17Å; I918-I945 WeakPolarHBondContact CA-O 3.45Å; I918-I945 HydrophobicContact CG1-CG2 4.42Å; I918-I945 WeakPolarHBondContact CG2-O 3.33Å; G919-I945 PolarHBondContact N-O 3.04Å; G919-I945 PolarHBondContact O-N 2.87Å
946D89.3Confident80.2Confident43 Ų4357.8 Ų57.823%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-128.1174.9-172.370.534.4000113.9L859 S860 Y861 S948L859-D946 PolarHBondContact O-N 2.97Å; S860-D946 WeakPolarHBondContact CA-O 3Å; Y861-D946 VanDerWaalsContact CD1-O 3.28Å; Y861-D946 WeakPolarHBondContact CD1-O 2.86Å; Y861-D946 PolarHBondContact N-O 2.61Å; D946-S948 WeakPolarHBondContact OD1-CB 3.29Å; D946-S948 PolarHBondContact OD1-N 2.87Å; D946-S948 PolarHBondContact OD1-OG 2.78Å
947D88.1Confident77.7Confident86 Ų8658.3 Ų58.346%0.4630%0.303SS..  trans-9213.7178-173.344.3000112.9Y861 K862Y861-D947 HydrophobicContact CE1-CB 4.12Å; Y861-D947 WeakPolarHBondContact CE1-OD1 3.28Å; Y861-D947 PolarHBondContact OH-OD1 2.79Å; K862-D947 WeakPolarHBondContact CE-OD1 3.29Å; K862-D947 PolarHBondContact NZ-O 3.49Å; K862-D947 IonicContact NZ-OD1 3.49Å; K862-D947 PolarHBondContact NZ-OD1 3.05Å; K862-D947 IonicContact NZ-OD2 3.58Å
948S85.4Confident75.2Confident34 Ų3463.7 Ų63.724%0.23833%0.329CS..SBendtrans-63.2161.5-178.169.30000112.5S860 D946 S950S860-S948 VanDerWaalsContact CB-O 3.26Å; S860-S948 WeakPolarHBondContact CB-O 3.16Å; S860-S948 PolarHBondContact OG-O 2.84Å; D946-S948 WeakPolarHBondContact OD1-CB 3.29Å; D946-S948 PolarHBondContact OD1-N 2.87Å; D946-S948 PolarHBondContact OD1-OG 2.78Å; S948-S950 PolarHBondContact O-N 3.16Å
949P81.6Confident72.6Confident90 Ų9067.3 Ų67.358%0.58434%0.344SS*.PPolyproline II helixtrans-61.4133.3170.3-19.632.6000110.4K951 L954P949-K951 PolarHBondContact O-N 3.05Å; P949-L954 HydrophobicContact CB-CD1 4.27Å
950S82.9Confident70Confident5 Ų574.2 Ų74.24%0.03538%0.375CS..PPolyproline II helixtrans-60.5132-179.3142.20000111.7K862 E863 S948 A952 Y953 L954K862-S950 WeakPolarHBondContact O-CB 3.44Å; E863-S950 WeakPolarHBondContact OE2-CB 3.13Å; E863-S950 PolarHBondContact OE2-OG 2.73Å; S948-S950 PolarHBondContact O-N 3.16Å; S950-A952 VanDerWaalsContact C-N 3.28Å; S950-A952 PolarHBondContact O-N 2.86Å; S950-A952 PolarHBondContact OG-N 3.35Å; S950-Y953 PolarHBondContact O-N 3.31Å; S950-Y953 VanDerWaalsContact OG-CD2 3.22Å; S950-Y953 WeakPolarHBondContact OG-CD2 3.41Å; S950-L954 PolarHBondContact O-N 3.08Å; S950-L954 VanDerWaalsContact O-N 3.12Å
951K76.6Confident67.4Low83 Ų8379 Ų7936%0.36140%0.401SS..Hα-helixtrans-71.1-27.2-178.1-62.9165-175.4175.90110.7S858 E863 Y867 P949 Y953 L954 S955S858-K951 PolarHBondContact O-NZ 3.02Å; E863-K951 VanDerWaalsContact CD-N 3.31Å; E863-K951 VanDerWaalsContact OE1-CB 3.3Å; E863-K951 WeakPolarHBondContact OE1-CB 3.45Å; E863-K951 PolarHBondContact OE1-N 2.76Å; E863-K951 PolarHBondContact OE2-N 3.29Å; E863-K951 VanDerWaalsContact OE2-N 3.15Å; Y867-K951 WeakPolarHBondContact OH-CB 3.42Å; P949-K951 PolarHBondContact O-N 3.05Å; K951-Y953 VanDerWaalsContact C-N 3.33Å; K951-Y953 PolarHBondContact O-N 2.92Å; K951-L954 PolarHBondContact O-N 3.18Å; K951-S955 PolarHBondContact O-N 2.89Å; K951-S955 PolarHBondContact O-OG 2.89Å
952A69.9Low64.8Low11 Ų1186 Ų869%0.09144%0.438CS..Hα-helixtrans-56.4-43.2167.800000112.2E863 P864 Y867 S950 S955 M956E863-A952 WeakPolarHBondContact OE2-CB 3.47Å; E863-A952 PolarHBondContact OE2-N 2.71Å; P864-A952 HydrophobicContact CG-CB 3.76Å; Y867-A952 HydrophobicContact CD2-CB 3.84Å; Y867-A952 HydrophobicContact CE2-CB 4.12Å; Y867-A952 HydrophobicContact CG-CB 4.48Å; S950-A952 VanDerWaalsContact C-N 3.28Å; S950-A952 PolarHBondContact O-N 2.86Å; S950-A952 PolarHBondContact OG-N 3.35Å; A952-S955 PolarHBondContact O-OG 2.99Å; A952-M956 WeakPolarHBondContact O-CG 3.21Å; A952-M956 PolarHBondContact O-N 3.41Å
953Y65.2Low62.3Low125 Ų12590 Ų9049%0.4946%0.46SS..Hα-helixtrans-78.6-34.4176.8-59.5-66000113.3S950 K951 S955 M956 N957S950-Y953 PolarHBondContact O-N 3.31Å; S950-Y953 VanDerWaalsContact OG-CD2 3.22Å; S950-Y953 WeakPolarHBondContact OG-CD2 3.41Å; K951-Y953 VanDerWaalsContact C-N 3.33Å; K951-Y953 PolarHBondContact O-N 2.92Å; Y953-S955 PolarHBondContact O-N 3.06Å; Y953-M956 HydrophobicContact CD1-SD 4.09Å; Y953-M956 PolarHBondContact O-N 3.11Å; Y953-M956 VanDerWaalsContact O-N 3.11Å; Y953-N957 PolarHBondContact O-N 2.78Å; Y953-N957 VanDerWaalsContact O-N 3.16Å
954L52.9Low59.8Low99 Ų9996.6 Ų96.652%0.51850%0.495SS..Hα-helixtrans-61.4-31.5173.8-76.8163.8000112.9P949 S950 K951P949-L954 HydrophobicContact CB-CD1 4.27Å; S950-L954 PolarHBondContact O-N 3.08Å; S950-L954 VanDerWaalsContact O-N 3.12Å; K951-L954 PolarHBondContact O-N 3.18Å
955S50.4Low57.3Low74 Ų7499.5 Ų99.552%0.51751%0.513SS..Hα-helixtrans-79.7-19.5174.648.10000114.2K951 A952 Y953K951-S955 PolarHBondContact O-N 2.89Å; K951-S955 PolarHBondContact O-OG 2.89Å; A952-S955 PolarHBondContact O-OG 2.99Å; Y953-S955 PolarHBondContact O-N 3.06Å
956M46.8Very low54.8Low112 Ų112105.4 Ų105.455%0.55254%0.544SS*.Hα-helixtrans-75.4-36168.8-69.6178.9-179.600112.6A952 Y953 L958 Y959A952-M956 WeakPolarHBondContact O-CG 3.21Å; A952-M956 PolarHBondContact O-N 3.41Å; Y953-M956 HydrophobicContact CD1-SD 4.09Å; Y953-M956 PolarHBondContact O-N 3.11Å; Y953-M956 VanDerWaalsContact O-N 3.11Å; M956-L958 PolarHBondContact O-N 2.98Å; M956-Y959 PolarHBondContact O-N 3.4Å; M956-Y959 VanDerWaalsContact O-N 3.08Å
957N39.5Very low52.2Low116 Ų116110.1 Ų110.162%0.6257%0.57SS**THydrogen-bonded Turntrans-69.5-4.5-173.5-75.8-21.6000115.4Y953 Y959Y953-N957 PolarHBondContact O-N 2.78Å; Y953-N957 VanDerWaalsContact O-N 3.16Å; N957-Y959 VanDerWaalsContact C-N 3.31Å
958L39.3Very low49.4Very low155 Ų155114.5 Ų114.581%0.81259%0.587SS**THydrogen-bonded Turntrans-840.3170.1-83163.6000114.1M956M956-L958 PolarHBondContact O-N 2.98Å
959Y37.4Very low46.7Very low183 Ų183122.2 Ų122.272%0.71862%0.617SS**SBendtrans-115.5-1.8177.8-81.5-84.4000115.2M956 N957M956-Y959 PolarHBondContact O-N 3.4Å; M956-Y959 VanDerWaalsContact O-N 3.08Å; N957-Y959 VanDerWaalsContact C-N 3.31Å
960H34.3Very low44.1Very low153 Ų153122.9 Ų122.971%0.70862%0.624SS**  trans-119.684.2-178.2-85.4-82.5000113.6
961L32.7Very low41.5Very low168 Ų168128.1 Ų128.188%0.8866%0.66SS**  trans-138.370.3157.6-85.9177.5000109.8
962N35.5Very low39.3Very low147 Ų147133.9 Ų133.979%0.78668%0.681SS**SBendtrans-162.1102.2159.6-104-25.8000109.6
963N33.5Very low37.5Very low129 Ų129135.9 Ų135.969%0.6970%0.703SS**  trans40.9114.3151.5-57.721.5000120.6
964D35.9Very low36Very low137 Ų137133.4 Ų133.473%0.73370%0.704SS**  66.1132.1119.7-45.9-23.9000122
965D38Very low35.3Very low135 Ų135131.9 Ų131.972%0.72270%0.701SS**  trans69102.1145.3-717.9000121.7
966N35.5Very low34.8Very low128 Ų128130.5 Ų130.568%0.68470%0.699SS**  trans77.2121.8131.5-53.7-38.3000120.7
967D34.6Very low34.8Very low143 Ų143132.7 Ų132.777%0.76570%0.702SS**  trans67.1116.7135.6-57.4-21.9000122.1
968E30.8Very low35.5Very low177 Ų177133.3 Ų133.383%0.82770%0.699SS**  trans65.496136.5-60.2-154.2127.200121.5
969F26.7Very low36.2Very low196 Ų196130.2 Ų130.286%0.8668%0.683SS**  74.272109-133-88.2000118.9
970S27.6Very low36.9Very low105 Ų105126.5 Ų126.573%0.73468%0.676SS**  176.4165116.948.50000113.8
971S28.2Very low38.3Very low114 Ų114125.4 Ų125.480%0.79767%0.669SS**  trans62.773.7168.7-160.20000117.7
972Y30.6Very low40.3Very low205 Ų205124.7 Ų124.780%0.80466%0.656SS**  trans-120.547.1169.1-102.6-92.6000114.7
973G31.7Very low41.9Very low53 Ų53121.7 Ų121.755%0.54664%0.639SS.*  trans-95.954.4167.900000113.2Y977G973-Y977 VanDerWaalsContact O-CE2 3.3Å; G973-Y977 WeakPolarHBondContact O-CE2 3.14Å
974S33.6Very low43.7Very low73 Ų73119 Ų11951%0.5163%0.627SS.*SBendtrans-156.5-13.7-177.4-145.10000118.4
975S39.4Very low45.7Very low66 Ų66115.5 Ų115.546%0.46261%0.608SS.*Hα-helixtrans-84.9-41-170.8510000114.5Y977 K978S975-Y977 PolarHBondContact O-N 3Å; S975-K978 WeakPolarHBondContact O-CB 3.24Å; S975-K978 PolarHBondContact O-N 2.86Å
976G40.3Very low47.7Very low46 Ų46111.7 Ų111.747%0.47460%0.595SS.*Hα-helixtrans-60-28.3178.400000113.3K978 N980G976-K978 VanDerWaalsContact C-N 3.31Å; G976-K978 PolarHBondContact O-N 2.81Å; G976-N980 PolarHBondContact O-N 3.15Å
977Y45.9Very low49.8Very low157 Ų157110.6 Ų110.662%0.61659%0.588SS**Hα-helixtrans-64.9-35.5172.6-41.1-36.2000111.3G973 S975 N980 F981G973-Y977 VanDerWaalsContact O-CE2 3.3Å; G973-Y977 WeakPolarHBondContact O-CE2 3.14Å; S975-Y977 PolarHBondContact O-N 3Å; Y977-N980 PolarHBondContact O-N 3.21Å; Y977-F981 WeakPolarHBondContact O-CA 3.25Å; Y977-F981 WeakPolarHBondContact O-CB 3.12Å; Y977-F981 PolarHBondContact O-N 3.44Å
978K53.5Low52.1Low129 Ų129108.1 Ų108.156%0.56157%0.574SS**Hα-helixtrans-67.8-39.7-176.9-70.9-175.2177.71780112.6S975 G976 F981 Y982S975-K978 WeakPolarHBondContact O-CB 3.24Å; S975-K978 PolarHBondContact O-N 2.86Å; G976-K978 VanDerWaalsContact C-N 3.31Å; G976-K978 PolarHBondContact O-N 2.81Å; K978-F981 PolarHBondContact O-N 3.33Å; K978-Y982 HydrophobicContact CB-CE2 4.38Å; K978-Y982 WeakPolarHBondContact O-CB 3.42Å; K978-Y982 WeakPolarHBondContact O-CD2 3.43Å; K978-Y982 PolarHBondContact O-N 2.96Å
979L55.1Low54.8Low90 Ų90103.2 Ų103.247%0.47156%0.556SS.*Hα-helixtrans-67.9-45.9176.1-168.367.7000111F981 Y982 I983L979-F981 VanDerWaalsContact C-N 3.28Å; L979-F981 PolarHBondContact O-N 3.22Å; L979-Y982 PolarHBondContact O-N 2.91Å; L979-I983 HydrophobicContact CG-CD1 4.24Å; L979-I983 WeakPolarHBondContact O-CG1 3.42Å; L979-I983 PolarHBondContact O-N 2.87Å
980N52.6Low57.5Low105 Ų10596.5 Ų96.556%0.56153%0.533SS*.Hα-helixtrans-64.6-31.7174.5-77.1-15.5000112.6G976 Y977 I983 V984G976-N980 PolarHBondContact O-N 3.15Å; Y977-N980 PolarHBondContact O-N 3.21Å; N980-I983 PolarHBondContact O-N 3.23Å; N980-V984 VanDerWaalsContact O-CB 3.25Å; N980-V984 WeakPolarHBondContact O-CB 3.34Å; N980-V984 WeakPolarHBondContact O-CG2 3.5Å; N980-V984 PolarHBondContact O-N 3.44Å
981F63.3Low60.2Low130 Ų13094.8 Ų94.857%0.5752%0.521SS*.Hα-helixtrans-73.7-34.8175.2-176.9-109.9000111.7Y977 K978 L979 I985Y977-F981 WeakPolarHBondContact O-CA 3.25Å; Y977-F981 WeakPolarHBondContact O-CB 3.12Å; Y977-F981 PolarHBondContact O-N 3.44Å; K978-F981 PolarHBondContact O-N 3.33Å; L979-F981 VanDerWaalsContact C-N 3.28Å; L979-F981 PolarHBondContact O-N 3.22Å; F981-I985 HydrophobicContact CD1-CD1 3.65Å; F981-I985 HydrophobicContact CD2-CD1 4.5Å; F981-I985 HydrophobicContact CE1-CD1 3.38Å; F981-I985 HydrophobicContact CE1-CG1 4.49Å; F981-I985 HydrophobicContact CE2-CD1 4.27Å; F981-I985 HydrophobicContact CG-CD1 4.22Å; F981-I985 HydrophobicContact CZ-CD1 3.73Å; F981-I985 WeakPolarHBondContact O-CB 3.48Å; F981-I985 WeakPolarHBondContact O-CG1 3.38Å; F981-I985 PolarHBondContact O-N 2.81Å
982Y73.1Confident63Low153 Ų15392.6 Ų92.660%0.651%0.505SS*.Hα-helixtrans-71.6-34.2170-71-50.3000112.5K978 L979 A986K978-Y982 HydrophobicContact CB-CE2 4.38Å; K978-Y982 WeakPolarHBondContact O-CB 3.42Å; K978-Y982 WeakPolarHBondContact O-CD2 3.43Å; K978-Y982 PolarHBondContact O-N 2.96Å; L979-Y982 PolarHBondContact O-N 2.91Å; Y982-A986 VanDerWaalsContact O-CB 3.29Å; Y982-A986 WeakPolarHBondContact O-CB 3.48Å; Y982-A986 PolarHBondContact O-N 3.33Å
983I70.6Confident65.9Low84 Ų8487 Ų8743%0.43149%0.489SS..Hα-helixtrans-68-44.7171.6-69.1166.4000110.5L979 N980 A986 I987L979-I983 HydrophobicContact CG-CD1 4.24Å; L979-I983 WeakPolarHBondContact O-CG1 3.42Å; L979-I983 PolarHBondContact O-N 2.87Å; N980-I983 PolarHBondContact O-N 3.23Å; I983-A986 PolarHBondContact O-N 3.16Å; I983-I987 HydrophobicContact CG2-CD1 3.86Å; I983-I987 WeakPolarHBondContact O-CB 3.17Å; I983-I987 VanDerWaalsContact O-CG1 3.29Å; I983-I987 WeakPolarHBondContact O-CG1 3.48Å; I983-I987 PolarHBondContact O-N 3.01Å
984V70.7Confident68.4Low72 Ų7289.3 Ų89.344%0.43649%0.487SS..Hα-helixtrans-65.9-37.6174.9166.40000111.3N980 I987 I988N980-V984 VanDerWaalsContact O-CB 3.25Å; N980-V984 WeakPolarHBondContact O-CB 3.34Å; N980-V984 WeakPolarHBondContact O-CG2 3.5Å; N980-V984 PolarHBondContact O-N 3.44Å; V984-I987 PolarHBondContact O-N 2.92Å; V984-I988 HydrophobicContact CG1-CD1 3.61Å; V984-I988 HydrophobicContact CG1-CG1 4.27Å; V984-I988 VanDerWaalsContact O-CB 3.3Å; V984-I988 WeakPolarHBondContact O-CB 3.39Å; V984-I988 WeakPolarHBondContact O-CG1 3.5Å; V984-I988 PolarHBondContact O-N 3.4Å
985I77.5Confident70.7Confident64 Ų6488.3 Ų88.333%0.32848%0.48SS..Hα-helixtrans-64.8-41.4170.1-77.4170.5000110.6F981 I987 I988 V989F981-I985 HydrophobicContact CD1-CD1 3.65Å; F981-I985 HydrophobicContact CD2-CD1 4.5Å; F981-I985 HydrophobicContact CE1-CD1 3.38Å; F981-I985 HydrophobicContact CE1-CG1 4.49Å; F981-I985 HydrophobicContact CE2-CD1 4.27Å; F981-I985 HydrophobicContact CG-CD1 4.22Å; F981-I985 HydrophobicContact CZ-CD1 3.73Å; F981-I985 WeakPolarHBondContact O-CB 3.48Å; F981-I985 WeakPolarHBondContact O-CG1 3.38Å; F981-I985 PolarHBondContact O-N 2.81Å; I985-I987 VanDerWaalsContact C-N 3.33Å; I985-I987 PolarHBondContact O-N 3.02Å; I985-I988 PolarHBondContact O-N 3.18Å; I985-V989 HydrophobicContact CG2-CG2 3.96Å; I985-V989 WeakPolarHBondContact O-CB 3.22Å; I985-V989 WeakPolarHBondContact O-CG2 3.43Å; I985-V989 PolarHBondContact O-N 2.54Å
986A79.4Confident72.9Confident56 Ų5689.2 Ų89.246%0.46348%0.483SS..Hα-helixtrans-64.3-38.4176.200000111.9Y982 I983 S990Y982-A986 VanDerWaalsContact O-CB 3.29Å; Y982-A986 WeakPolarHBondContact O-CB 3.48Å; Y982-A986 PolarHBondContact O-N 3.33Å; I983-A986 PolarHBondContact O-N 3.16Å; A986-S990 VanDerWaalsContact O-CB 3.25Å; A986-S990 WeakPolarHBondContact O-CB 3.5Å; A986-S990 PolarHBondContact O-N 3.15Å; A986-S990 PolarHBondContact O-OG 3.31Å
987I80.1Confident75.1Confident104 Ų10492 Ų9253%0.53349%0.486SS..Hα-helixtrans-68.9-42.4173.8-68.4166.3000111I983 V984 I985 S990 S991I983-I987 HydrophobicContact CG2-CD1 3.86Å; I983-I987 WeakPolarHBondContact O-CB 3.17Å; I983-I987 VanDerWaalsContact O-CG1 3.29Å; I983-I987 WeakPolarHBondContact O-CG1 3.48Å; I983-I987 PolarHBondContact O-N 3.01Å; V984-I987 PolarHBondContact O-N 2.92Å; I985-I987 VanDerWaalsContact C-N 3.33Å; I985-I987 PolarHBondContact O-N 3.02Å; I987-S990 WeakPolarHBondContact CA-OG 3.4Å; I987-S990 PolarHBondContact O-OG 3.12Å; I987-S991 WeakPolarHBondContact O-CB 3.44Å; I987-S991 PolarHBondContact O-N 2.76Å
988I82.4Confident76.9Confident91 Ų9189.2 Ų89.247%0.46748%0.481SS..Hα-helixtrans-67.9-42.6176.6-71.9169.4000110.9V984 I985 S991 C992V984-I988 HydrophobicContact CG1-CD1 3.61Å; V984-I988 HydrophobicContact CG1-CG1 4.27Å; V984-I988 VanDerWaalsContact O-CB 3.3Å; V984-I988 WeakPolarHBondContact O-CB 3.39Å; V984-I988 WeakPolarHBondContact O-CG1 3.5Å; V984-I988 PolarHBondContact O-N 3.4Å; I985-I988 PolarHBondContact O-N 3.18Å; I988-S991 PolarHBondContact O-N 3.46Å; I988-C992 VanDerWaalsContact O-CB 3.27Å; I988-C992 WeakPolarHBondContact O-CB 3.18Å; I988-C992 PolarHBondContact O-N 3.4Å; I988-C992 PolarHBondContact O-SG 3.48Å
989V89.5Confident78.3Confident74 Ų7487.4 Ų87.445%0.44848%0.477SS..Hα-helixtrans-69-43.8179.1168.90000110.6I985 C992 I993I985-V989 HydrophobicContact CG2-CG2 3.96Å; I985-V989 WeakPolarHBondContact O-CB 3.22Å; I985-V989 WeakPolarHBondContact O-CG2 3.43Å; I985-V989 PolarHBondContact O-N 2.54Å; V989-C992 PolarHBondContact O-N 3.48Å; V989-I993 HydrophobicContact CG1-CD1 3.76Å; V989-I993 HydrophobicContact CG1-CG1 4.46Å; V989-I993 WeakPolarHBondContact O-CB 3.24Å; V989-I993 VanDerWaalsContact O-CG1 3.23Å; V989-I993 WeakPolarHBondContact O-CG1 3.25Å; V989-I993 PolarHBondContact O-N 3.02Å
990S83.2Confident79.5Confident55 Ų5585.9 Ų85.939%0.38547%0.474SS..Hα-helixtrans-66-39.2173.4560000112A986 I987 I993 I994A986-S990 VanDerWaalsContact O-CB 3.25Å; A986-S990 WeakPolarHBondContact O-CB 3.5Å; A986-S990 PolarHBondContact O-N 3.15Å; A986-S990 PolarHBondContact O-OG 3.31Å; I987-S990 WeakPolarHBondContact CA-OG 3.4Å; I987-S990 PolarHBondContact O-OG 3.12Å; S990-I993 PolarHBondContact O-N 3.3Å; S990-I994 WeakPolarHBondContact O-CB 3.15Å; S990-I994 VanDerWaalsContact O-CG1 3.26Å; S990-I994 WeakPolarHBondContact O-CG1 3.45Å; S990-I994 PolarHBondContact O-N 3.18Å
991S83Confident80.8Confident69 Ų6983.6 Ų83.648%0.48347%0.466SS..Hα-helixtrans-60-45.2170.8179.60000111.8I987 I988 I994 S995I987-S991 WeakPolarHBondContact O-CB 3.44Å; I987-S991 PolarHBondContact O-N 2.76Å; I988-S991 PolarHBondContact O-N 3.46Å; S991-I994 PolarHBondContact O-N 3.24Å; S991-S995 WeakPolarHBondContact O-CA 3.49Å; S991-S995 WeakPolarHBondContact O-CB 3.27Å; S991-S995 PolarHBondContact O-N 3.38Å
992C87.7Confident81.5Confident68 Ų6881 Ų8146%0.45946%0.461SS..Hα-helixtrans-67.6-34.4176-74.40000112.8I988 V989 T996I988-C992 VanDerWaalsContact O-CB 3.27Å; I988-C992 WeakPolarHBondContact O-CB 3.18Å; I988-C992 PolarHBondContact O-N 3.4Å; I988-C992 PolarHBondContact O-SG 3.48Å; V989-C992 PolarHBondContact O-N 3.48Å; C992-T996 VanDerWaalsContact O-CB 3.3Å; C992-T996 WeakPolarHBondContact O-CB 3.22Å; C992-T996 VanDerWaalsContact O-CG2 3.26Å; C992-T996 WeakPolarHBondContact O-CG2 3.5Å; C992-T996 PolarHBondContact O-N 3.14Å; C992-T996 PolarHBondContact O-OG1 2.68Å
993I90.6Very high81.8Confident89 Ų8978.1 Ų78.146%0.45646%0.455SS..Hα-helixtrans-68.7-48.6173.3-71.6165.6000110.1V989 S990 S995 T996 I997V989-I993 HydrophobicContact CG1-CD1 3.76Å; V989-I993 HydrophobicContact CG1-CG1 4.46Å; V989-I993 WeakPolarHBondContact O-CB 3.24Å; V989-I993 VanDerWaalsContact O-CG1 3.23Å; V989-I993 WeakPolarHBondContact O-CG1 3.25Å; V989-I993 PolarHBondContact O-N 3.02Å; S990-I993 PolarHBondContact O-N 3.3Å; I993-S995 VanDerWaalsContact C-N 3.34Å; I993-S995 PolarHBondContact O-N 3.1Å; I993-T996 WeakPolarHBondContact CA-OG1 3.18Å; I993-T996 PolarHBondContact O-N 2.93Å; I993-T996 PolarHBondContact O-OG1 3.31Å; I993-T996 VanDerWaalsContact O-OG1 3.13Å; I993-I997 HydrophobicContact CG2-CD1 3.77Å; I993-I997 WeakPolarHBondContact O-CB 3.3Å; I993-I997 VanDerWaalsContact O-CG1 3.22Å; I993-I997 WeakPolarHBondContact O-CG1 3.3Å; I993-I997 PolarHBondContact O-N 3.18Å
994I84.6Confident82.1Confident101 Ų10178.8 Ų78.852%0.51846%0.458SS..Hα-helixtrans-63-42.2176.7-67.7165000110.5S990 S991 I997 L998S990-I994 WeakPolarHBondContact O-CB 3.15Å; S990-I994 VanDerWaalsContact O-CG1 3.26Å; S990-I994 WeakPolarHBondContact O-CG1 3.45Å; S990-I994 PolarHBondContact O-N 3.18Å; S991-I994 PolarHBondContact O-N 3.24Å; I994-I997 PolarHBondContact O-N 2.88Å; I994-L998 HydrophobicContact CG2-CD1 3.94Å; I994-L998 HydrophobicContact CG2-CG 4.5Å; I994-L998 WeakPolarHBondContact O-CB 3.33Å; I994-L998 WeakPolarHBondContact O-CG 3.22Å; I994-L998 PolarHBondContact O-N 2.7Å
995S82.2Confident82.1Confident51 Ų5182.6 Ų82.636%0.35747%0.469SS..Hα-helixtrans-66.6-40176.8-175.90000111.9S991 I993 L998 I999S991-S995 WeakPolarHBondContact O-CA 3.49Å; S991-S995 WeakPolarHBondContact O-CB 3.27Å; S991-S995 PolarHBondContact O-N 3.38Å; I993-S995 VanDerWaalsContact C-N 3.34Å; I993-S995 PolarHBondContact O-N 3.1Å; S995-L998 PolarHBondContact O-N 3.17Å; S995-I999 VanDerWaalsContact O-CB 3.24Å; S995-I999 WeakPolarHBondContact O-CB 3.43Å; S995-I999 WeakPolarHBondContact O-CG1 3.4Å; S995-I999 PolarHBondContact O-N 2.65Å
996T84.8Confident81.6Confident85 Ų8583.8 Ų83.852%0.52148%0.476SS..Hα-helixtrans-73.4-28.7174.349.80000112.9C992 I993 S1000C992-T996 VanDerWaalsContact O-CB 3.3Å; C992-T996 WeakPolarHBondContact O-CB 3.22Å; C992-T996 VanDerWaalsContact O-CG2 3.26Å; C992-T996 WeakPolarHBondContact O-CG2 3.5Å; C992-T996 PolarHBondContact O-N 3.14Å; C992-T996 PolarHBondContact O-OG1 2.68Å; I993-T996 WeakPolarHBondContact CA-OG1 3.18Å; I993-T996 PolarHBondContact O-N 2.93Å; I993-T996 PolarHBondContact O-OG1 3.31Å; I993-T996 VanDerWaalsContact O-OG1 3.13Å; T996-S1000 WeakPolarHBondContact O-CB 3.35Å; T996-S1000 PolarHBondContact O-N 2.55Å; T996-S1000 PolarHBondContact O-OG 2.64Å
997I88Confident80.8Confident104 Ų10490.3 Ų90.353%0.53349%0.489SS..Hα-helixtrans-68.2-41.1168.8-70.6166.9000110.8I993 I994 S1000 S1001I993-I997 HydrophobicContact CG2-CD1 3.77Å; I993-I997 WeakPolarHBondContact O-CB 3.3Å; I993-I997 VanDerWaalsContact O-CG1 3.22Å; I993-I997 WeakPolarHBondContact O-CG1 3.3Å; I993-I997 PolarHBondContact O-N 3.18Å; I994-I997 PolarHBondContact O-N 2.88Å; I997-S1000 WeakPolarHBondContact CA-OG 3.44Å; I997-S1000 PolarHBondContact O-OG 2.63Å; I997-S1001 VanDerWaalsContact O-CB 3.26Å; I997-S1001 WeakPolarHBondContact O-CB 3.42Å; I997-S1001 PolarHBondContact O-N 2.74Å; I997-S1001 PolarHBondContact O-OG 2.88Å
998L82.7Confident79.7Confident99 Ų9993.9 Ų93.952%0.51850%0.495SS..Hα-helixtrans-70.5-42.8175.5-74.7169.9000112.3I994 S995 S1001 V1002I994-L998 HydrophobicContact CG2-CD1 3.94Å; I994-L998 HydrophobicContact CG2-CG 4.5Å; I994-L998 WeakPolarHBondContact O-CB 3.33Å; I994-L998 WeakPolarHBondContact O-CG 3.22Å; I994-L998 PolarHBondContact O-N 2.7Å; S995-L998 PolarHBondContact O-N 3.17Å; L998-S1001 PolarHBondContact O-N 2.88Å; L998-S1001 PolarHBondContact O-OG 3.06Å; L998-S1001 VanDerWaalsContact O-OG 3.07Å; L998-V1002 WeakPolarHBondContact O-CB 3.32Å; L998-V1002 WeakPolarHBondContact O-CG2 3.26Å; L998-V1002 PolarHBondContact O-N 2.88Å
999I83.5Confident78.4Confident92 Ų9293 Ų9347%0.47250%0.497SS..Hα-helixtrans-67.9-37.2176-70.5166000110.1S995 L1003S995-I999 VanDerWaalsContact O-CB 3.24Å; S995-I999 WeakPolarHBondContact O-CB 3.43Å; S995-I999 WeakPolarHBondContact O-CG1 3.4Å; S995-I999 PolarHBondContact O-N 2.65Å; I999-L1003 HydrophobicContact CG2-CD1 3.79Å; I999-L1003 HydrophobicContact CG2-CG 4.27Å; I999-L1003 WeakPolarHBondContact O-CB 3.02Å; I999-L1003 WeakPolarHBondContact O-CG 3.4Å; I999-L1003 PolarHBondContact O-N 3.43Å
1000S80.1Confident76.7Confident58 Ų5898.4 Ų98.441%0.40651%0.514SS..Hα-helixtrans-73-36.2174.2610000112.7T996 I997 L1003 I1004T996-S1000 WeakPolarHBondContact O-CB 3.35Å; T996-S1000 PolarHBondContact O-N 2.55Å; T996-S1000 PolarHBondContact O-OG 2.64Å; I997-S1000 WeakPolarHBondContact CA-OG 3.44Å; I997-S1000 PolarHBondContact O-OG 2.63Å; S1000-L1003 PolarHBondContact O-N 2.72Å; S1000-I1004 VanDerWaalsContact O-CB 3.32Å; S1000-I1004 WeakPolarHBondContact O-CB 3.28Å; S1000-I1004 WeakPolarHBondContact O-CD1 3.31Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.29Å; S1000-I1004 PolarHBondContact O-N 2.89Å
1001S79.2Confident75.1Confident57 Ų57105.7 Ų105.740%0.39953%0.534SS..Hα-helixtrans-68.9-40.517473.90000111.8I997 L998 I1004 F1005I997-S1001 VanDerWaalsContact O-CB 3.26Å; I997-S1001 WeakPolarHBondContact O-CB 3.42Å; I997-S1001 PolarHBondContact O-N 2.74Å; I997-S1001 PolarHBondContact O-OG 2.88Å; L998-S1001 PolarHBondContact O-N 2.88Å; L998-S1001 PolarHBondContact O-OG 3.06Å; L998-S1001 VanDerWaalsContact O-OG 3.07Å; S1001-I1004 PolarHBondContact O-N 2.88Å; S1001-F1005 WeakPolarHBondContact O-CB 3.32Å; S1001-F1005 PolarHBondContact O-N 3.08Å
1002V79.3Confident73.2Confident76 Ų76108.7 Ų108.746%0.46154%0.544SS..Hα-helixtrans-66.1-39.9171.2169.90000111.2L998 I1004 F1005 L1006L998-V1002 WeakPolarHBondContact O-CB 3.32Å; L998-V1002 WeakPolarHBondContact O-CG2 3.26Å; L998-V1002 PolarHBondContact O-N 2.88Å; V1002-I1004 VanDerWaalsContact C-N 3.33Å; V1002-I1004 PolarHBondContact O-N 2.87Å; V1002-F1005 PolarHBondContact O-N 3.41Å; V1002-L1006 HydrophobicContact CG1-CD1 3.73Å; V1002-L1006 HydrophobicContact CG1-CG 4.18Å; V1002-L1006 VanDerWaalsContact O-CB 3.25Å; V1002-L1006 WeakPolarHBondContact O-CB 3.46Å; V1002-L1006 VanDerWaalsContact O-CG 3.24Å; V1002-L1006 WeakPolarHBondContact O-CG 3.48Å; V1002-L1006 PolarHBondContact O-N 3.01Å
1003L78.1Confident70.9Confident92 Ų92112.8 Ų112.848%0.48256%0.562SS.*Hα-helixtrans-69.6-28.6173.2-76.4171.8000112.5I999 S1000 R1007I999-L1003 HydrophobicContact CG2-CD1 3.79Å; I999-L1003 HydrophobicContact CG2-CG 4.27Å; I999-L1003 WeakPolarHBondContact O-CB 3.02Å; I999-L1003 WeakPolarHBondContact O-CG 3.4Å; I999-L1003 PolarHBondContact O-N 3.43Å; S1000-L1003 PolarHBondContact O-N 2.72Å; L1003-R1007 WeakPolarHBondContact O-CB 3.49Å; L1003-R1007 WeakPolarHBondContact O-CG 3.38Å; L1003-R1007 PolarHBondContact O-N 3.05Å
1004I77.9Confident68.3Low97 Ų97114 Ų11450%0.49757%0.573SS.*Hα-helixtrans-71.6-41170.1-74.4162.8000110.1S1000 S1001 V1002 R1007 R1008S1000-I1004 VanDerWaalsContact O-CB 3.32Å; S1000-I1004 WeakPolarHBondContact O-CB 3.28Å; S1000-I1004 WeakPolarHBondContact O-CD1 3.31Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.29Å; S1000-I1004 PolarHBondContact O-N 2.89Å; S1001-I1004 PolarHBondContact O-N 2.88Å; V1002-I1004 VanDerWaalsContact C-N 3.33Å; V1002-I1004 PolarHBondContact O-N 2.87Å; I1004-R1007 PolarHBondContact O-N 2.93Å; I1004-R1008 WeakPolarHBondContact O-CB 3.24Å; I1004-R1008 WeakPolarHBondContact O-CG 3.4Å; I1004-R1008 PolarHBondContact O-N 3.34Å
1005F70.5Confident65.9Low153 Ų153116.7 Ų116.767%0.67159%0.587SS**Hα-helixtrans-66.8-42.7176.4-161.2-92.6000111.5S1001 V1002 R1008 S1009S1001-F1005 WeakPolarHBondContact O-CB 3.32Å; S1001-F1005 PolarHBondContact O-N 3.08Å; V1002-F1005 PolarHBondContact O-N 3.41Å; F1005-R1008 PolarHBondContact O-N 2.86Å; F1005-S1009 VanDerWaalsContact O-CB 3.3Å; F1005-S1009 WeakPolarHBondContact O-CB 3.07Å; F1005-S1009 PolarHBondContact O-N 3.02Å
1006L67.6Low63.4Low88 Ų88124.5 Ų124.546%0.46161%0.609SS.*Hα-helixtrans-71.7-31.6174-69174.1000112.6V1002 K1010V1002-L1006 HydrophobicContact CG1-CD1 3.73Å; V1002-L1006 HydrophobicContact CG1-CG 4.18Å; V1002-L1006 VanDerWaalsContact O-CB 3.25Å; V1002-L1006 WeakPolarHBondContact O-CB 3.46Å; V1002-L1006 VanDerWaalsContact O-CG 3.24Å; V1002-L1006 WeakPolarHBondContact O-CG 3.48Å; V1002-L1006 PolarHBondContact O-N 3.01Å; L1006-K1010 VanDerWaalsContact O-CB 3.28Å; L1006-K1010 WeakPolarHBondContact O-CB 3.2Å; L1006-K1010 WeakPolarHBondContact O-CG 3.43Å; L1006-K1010 PolarHBondContact O-N 3.32Å
1007R61.2Low60.8Low194 Ų194126.3 Ų126.373%0.73262%0.615SS**Hα-helixtrans-73.4-26.3169.7-80.1175.7167.6-174.9-3.1112.9L1003 I1004 R1011L1003-R1007 WeakPolarHBondContact O-CB 3.49Å; L1003-R1007 WeakPolarHBondContact O-CG 3.38Å; L1003-R1007 PolarHBondContact O-N 3.05Å; I1004-R1007 PolarHBondContact O-N 2.93Å; R1007-R1011 WeakPolarHBondContact O-CB 3.29Å; R1007-R1011 PolarHBondContact O-N 2.84Å
1008R58.5Low58.2Low179 Ų179127.2 Ų127.268%0.67563%0.625SS**Hα-helixtrans-73.8-48.6168.3-80177.6165.8-179.1-4.7110.8I1004 F1005 K1010 R1011 N1012I1004-R1008 WeakPolarHBondContact O-CB 3.24Å; I1004-R1008 WeakPolarHBondContact O-CG 3.4Å; I1004-R1008 PolarHBondContact O-N 3.34Å; F1005-R1008 PolarHBondContact O-N 2.86Å; R1008-K1010 PolarHBondContact O-N 2.81Å; R1008-R1011 PolarHBondContact O-N 3.26Å; R1008-N1012 PolarHBondContact O-N 3.2Å; R1008-N1012 PolarHBondContact O-OD1 2.87Å
1009S55.2Low55.7Low71 Ų71127 Ų12750%0.49763%0.632SS.*Hα-helixtrans-57-44.1174.7176.20000112.2F1005 R1011F1005-S1009 VanDerWaalsContact O-CB 3.3Å; F1005-S1009 WeakPolarHBondContact O-CB 3.07Å; F1005-S1009 PolarHBondContact O-N 3.02Å; S1009-R1011 VanDerWaalsContact C-N 3.32Å; S1009-R1011 PolarHBondContact O-N 2.86Å
1010K52.3Low53.2Low189 Ų189129.5 Ų129.582%0.82264%0.642SS**THydrogen-bonded Turntrans-79.91.3173.8-71.2-169.3171.9-174.50115.4L1006 R1008L1006-K1010 VanDerWaalsContact O-CB 3.28Å; L1006-K1010 WeakPolarHBondContact O-CB 3.2Å; L1006-K1010 WeakPolarHBondContact O-CG 3.43Å; L1006-K1010 PolarHBondContact O-N 3.32Å; R1008-K1010 PolarHBondContact O-N 2.81Å
1011R49.3Very low50.8Low208 Ų208134.6 Ų134.679%0.78566%0.657SS**THydrogen-bonded Turntrans-99.8-21.2171-110-178.3162.3163.3-5.2114.2R1007 R1008 S1009 N1013R1007-R1011 WeakPolarHBondContact O-CB 3.29Å; R1007-R1011 PolarHBondContact O-N 2.84Å; R1008-R1011 PolarHBondContact O-N 3.26Å; S1009-R1011 VanDerWaalsContact C-N 3.32Å; S1009-R1011 PolarHBondContact O-N 2.86Å; R1011-N1013 PolarHBondContact O-N 3.5Å
1012N44.7Very low48.5Very low132 Ų132137.2 Ų137.271%0.70667%0.67SS**SBendtrans-93.515.2-172.5-73.122.5000114.5R1008R1008-N1012 PolarHBondContact O-N 3.2Å; R1008-N1012 PolarHBondContact O-OD1 2.87Å
1013N37.7Very low46.3Very low154 Ų154139.4 Ų139.482%0.82468%0.679SS**SBendtrans-99.532.8171.6-866.4000112.9R1011R1011-N1013 PolarHBondContact O-N 3.5Å
1014V37.1Very low43.9Very low115 Ų115140.5 Ų140.570%0.69769%0.685SS**SBendtrans-144.9130.9170.2-172.80000109.4
1015L34.7Very low41.5Very low156 Ų156142.3 Ų142.382%0.81770%0.696SS**  trans64.3111.3-179.3-65.7150.2000114.6
1016R28.6Very low39.6Very low216 Ų216143.2 Ų143.282%0.81570%0.702SS**  68.5127.355.3-92-173.2163.2172.70.6116.4
1017D31.3Very low37.9Very low122 Ų122145.1 Ų145.165%0.65272%0.717SS**  trans69.8117.4134.4-61.8-24.6000122.5
1018V32.8Very low36.6Very low123 Ų123141.4 Ų141.475%0.74572%0.721SS**  87.5122.4122.7170.50000120.1
1019S29.7Very low35.2Very low94 Ų94140.1 Ų140.166%0.65773%0.728SS**  trans78.6158.5153.284.20000118.2
1020H30.9Very low34Very low146 Ų146145.1 Ų145.168%0.67674%0.743SS**  cis-145.3133.911.2-122.7-20.8000111.9
1021K29.9Very low32.9Very low165 Ų165140.7 Ų140.772%0.71774%0.735SS**  73.5141.9115.2-99.2-177.8-176.1170.70120.3
1022V31.5Very low31.8Very low112 Ų112136.4 Ų136.468%0.67973%0.732SS**  trans75.2129.5140.6168.90000117.9
1023D32Very low30.9Very low121 Ų121135.8 Ų135.865%0.64773%0.733SS**  cis-162.5153.5-14.7-112-6.1000113.6
1024N28.5Very low30.2Very low115 Ų115134.1 Ų134.162%0.61573%0.729SS**  trans48119.3140.7-65.2-45.3000123.2
1025N28.3Very low29.6Very low135 Ų135136.7 Ų136.772%0.72274%0.735SS**  trans68.2120130.7-58.5-22.7000120.7
1026H30.7Very low29.2Very low172 Ų172135.9 Ų135.980%0.79673%0.73SS**  -163.4131.6104-108.1-77.3000112.8
1027T31.3Very low29.2Very low128 Ų128132.7 Ų132.779%0.78573%0.729SS**  trans56.4133.5159.5550000119.3
1028S33Very low29.2Very low117 Ų117131.8 Ų131.882%0.81873%0.732SS**  cis-136.3162.618.1530000113.5
1029N29.8Very low29.4Very low151 Ų151131 Ų13181%0.80773%0.73SS**  trans-124.1161.3-167.4-59.1-31.2000112.8
1030H29.4Very low29.6Very low177 Ų177131.5 Ų131.582%0.81973%0.733SS**  trans-161.8135.9138.3-107.4-66000114.9
1031C29Very low29.6Very low96 Ų96130.8 Ų130.865%0.64974%0.735SS**  trans36.5117.8141.1-67.30000121.3
1032T27.2Very low29.8Very low118 Ų118134 Ų13472%0.72474%0.742SS**  81.6118.857.563.80000116.8
1033T25.2Very low29.8Very low118 Ų118133.1 Ų133.172%0.72474%0.741SS**  49.4117.7127.4-38.30000120.4
1034T24.1Very low29.8Very low120 Ų120135.9 Ų135.974%0.73675%0.747SS**  trans59132.3155.8540000121.1
1035M23.3Very low29.8Very low168 Ų168137 Ų13783%0.82875%0.752SS**  trans52.8129.2139.8-69.5-160.2-171.500121.8
1036I26.7Very low29.9Very low139 Ų139136.4 Ų136.471%0.71375%0.749SS**  trans81.8117.5141.4-65.1164.6000119
1037N27.9Very low29.9Very low150 Ų150135.2 Ų135.280%0.80274%0.744SS**  trans79.1145.5150.5-69-10.3000124.1
1038S33Very low29.9Very low103 Ų103133.4 Ų133.472%0.7274%0.736SS**  trans-62.9173.2166.754.20000113
1039P36.4Very low29.9Very low106 Ų106136.2 Ų136.269%0.68874%0.736SS**  cis-159.2159.641.643.6-20.9000122.3
1040S32.7Very low29.9Very low105 Ų105136 Ų13673%0.73474%0.735SS**  trans63.4156.9139.679.60000120.1
1041N32.3Very low30.2Very low131 Ų131138.3 Ų138.370%0.70174%0.738SS**  cis-166.2166.16.7-135.3-18.8000112.6
1042W33.5Very low30.3Very low231 Ų231140 Ų14088%0.87574%0.741SS**  trans75.1137.1159.7-67.220.8000118.7
1043S31.2Very low30.6Very low94 Ų94143 Ų14366%0.65775%0.745SS**  cis-161.5162.6-5.459.10000114.5
1044K31.9Very low30.9Very low179 Ų179142.1 Ų142.178%0.77874%0.743SS**  trans81.1105168.5-56.1-161.2177.2-176.80116.3
1045I29.6Very low31.1Very low139 Ų139147 Ų14771%0.71375%0.748SS**  78.2120.578.7-72.7164.7000110.3
1046D29.6Very low31.3Very low123 Ų123145.5 Ų145.566%0.65874%0.743SS**  cis-170.7172.72.1-111-3.4000109.4
1047Q31.7Very low31.2Very low147 Ų147143 Ų14369%0.68774%0.737SS**  cis-157.3147.2-1.6-138.4172.385.700110.7
1048S29.6Very low31.1Very low90 Ų90142.5 Ų142.563%0.62974%0.735SS**  trans49.5146.814181.60000123.2
1049Q34.5Very low30.8Very low176 Ų176142.7 Ų142.782%0.82274%0.736SS**  cis-133.6156.19.1-72.8-175.5-1.200112.5
1050N29.4Very low30.3Very low147 Ų147147.9 Ų147.979%0.78674%0.744SS**  trans-104164.4173-62.1-22.1000111
1051Y35.7Very low30Very low224 Ų224154.2 Ų154.288%0.87875%0.751SS**  -144143.2126.5-100.2-73.8000110.4
1052D30.2Very low29.8Very low133 Ų133153.8 Ų153.871%0.71175%0.753SS**  trans-150.2146.6-175.6168.931.5000107.7
1053F33.3Very low29.6Very low181 Ų181147.3 Ų147.379%0.79474%0.739SS**  trans-154.9113.1174.3-111.7-75.1000113.9
1054S32.8Very low29.5Very low99 Ų99151 Ų15169%0.69275%0.746SS**  trans-141.2117.915555.30000108.9
1055R27.4Very low29.3Very low221 Ų221147.1 Ų147.183%0.83474%0.741SS**  trans-178.5153.1172.8-110.1166.8-170.5-153.51116.1
1056L27.8Very low29.4Very low138 Ų138147.8 Ų147.872%0.72374%0.744SS**  trans69.296.5145.1-67.7164.2000121.6
1057S24.3Very low29.8Very low85 Ų85146.5 Ų146.559%0.59474%0.742SS**  1.6136124.7580000120.1
1058N25.6Very low29.7Very low140 Ų140146 Ų14675%0.74975%0.745SS**  -179.4159.5108.3-99.1-41.4000115.5
1059S27Very low29.7Very low108 Ų108146 Ų14676%0.75574%0.743SS**  trans64.7149.6165.660.80000119.9
1060Y25.6Very low29.5Very low215 Ų215144.9 Ų144.984%0.84374%0.742SS**  cis161.2137.8-31.2-113.7-67.5000106.1
1061R26.5Very low29.5Very low237 Ų237141.7 Ų141.789%0.89473%0.732SS**  trans72.2157.5179-62.2-179.5173.7-177.9-2.9113.6
1062V28.8Very low29.2Very low122 Ų122138.1 Ų138.174%0.73972%0.723SS**  cis-161.8149.3-6.8122.50000106.6
1063V28.7Very low29.4Very low96 Ų96139.5 Ų139.558%0.58272%0.723SS**  cis-167.8148.1-21.178.90000109.3
1064H28.6Very low29.2Very low172 Ų172135.7 Ų135.780%0.79672%0.719SS**  trans55.8162.7165.2-60.5-49.6000117.9
1065S28.1Very low29.3Very low96 Ų96135.4 Ų135.467%0.67172%0.717SS**  cis-161.9146.4-2952.60000106.2
1066I32.5Very low29.5Very low153 Ų153132.7 Ų132.779%0.78572%0.717SS**  57.3131.161-70.8175.7000110.8
1067P38.6Very low29.6Very low96 Ų96129.8 Ų129.862%0.62372%0.72SS**  cis-142.6-165.3-1.238.5-16.5000116.4
1068D29.6Very low29.7Very low138 Ų138129.3 Ų129.374%0.73873%0.729SS**  trans76.2147.6139.1-73.6-19000121.3
1069C28.3Very low29.9Very low89 Ų89131.2 Ų131.260%0.60173%0.733SS**  cis-161.1153-4.2-129.40000112.7
1070L30.1Very low30Very low152 Ų152131.8 Ų131.880%0.79673%0.732SS**  trans56.2154.5141.2-70.6169.1000120.5
1071S30.6Very low30Very low81 Ų81125.8 Ų125.857%0.56672%0.722SS**  cis-166.7141.92.532.10000113.6
1072Q29.5Very low30Very low148 Ų148121.8 Ų121.869%0.69272%0.718SS**  trans65.4160.3143.2-59.8159.8-10.600117.7
1073F34.5Very low30Very low163 Ų163123.8 Ų123.872%0.71572%0.719SS**  cis-128.4131.62-87-80.2000109
1074S29Very low30Very low100 Ų100125.6 Ų125.670%0.69973%0.725SS**  58.4138.894.796.20000115.5
1075S33.4Very low30.2Very low94 Ų94123.5 Ų123.566%0.65772%0.724SS**  cis-171.9162.937540000113.7
1076I32.4Very low30.4Very low164 Ų164125.3 Ų125.384%0.84173%0.726SS**  trans46.5118.3148.7-57.6155.9000117
1077G29.5Very low30.6Very low76 Ų76128.4 Ų128.478%0.78473%0.73SS**  95.6141.652.400000110.7
1078G26.6Very low30.5Very low76 Ų76128.3 Ų128.378%0.78473%0.729SS**  cis133.184.1-600000114.1
1079Q29.1Very low30.8Very low179 Ų179129.6 Ų129.684%0.83674%0.736SS**  trans-177148.3160.2-112.2177.91.100114.2
1080T29.4Very low30.9Very low120 Ų120128.7 Ų128.774%0.73674%0.742SS**  trans47.2153147.254.80000123
1081S26.1Very low30.8Very low90 Ų90133 Ų13363%0.62975%0.747SS**  cis172.8158.6-29.154.10000109.7
1082L26.6Very low30.6Very low153 Ų153136.5 Ų136.580%0.80176%0.759SS**  trans76.9147.7151.6-89.3162000121.1
1083E29.3Very low30.4Very low163 Ų163136.2 Ų136.276%0.76276%0.762SS**  trans69.6143.2159.8-68.2-169.4-166.400120.1
1084L28.4Very low30.1Very low135 Ų135133 Ų13371%0.70776%0.759SS**  cis-167170.4-24.1-123.8176.6000110.9
1085T33.2Very low30.2Very low128 Ų128133.4 Ų133.479%0.78576%0.762SS**  trans110.7138.4155.869.40000119.6
1086N30.6Very low30.4Very low134 Ų134133.8 Ų133.872%0.71776%0.763SS**  trans-92.3165.8175-55.4-65.2000110.5
1087Y37Very low30.4Very low218 Ų218134.9 Ų134.986%0.85576%0.757SS**  -173.9157.995.6-99.1-80.9000110.3
1088P38.3Very low30.4Very low94 Ų94138 Ų13861%0.6175%0.751SS**  trans-112.5-166-168.442.5-31.2000113.6
1089N35.2Very low30.6Very low164 Ų164140.1 Ų140.188%0.87775%0.745SS**  trans80.5138.5-175.9-42.5-52.6000113.5
1090G29.2Very low30.5Very low71 Ų71136.1 Ų136.173%0.73274%0.737SS**  cis153.2135.3-10.500000113.1
1091R27.9Very low30.3Very low241 Ų241138.2 Ų138.291%0.90974%0.74SS**  trans44.6117.7166.2-83.2-175.9168.3-176.5-2.9118.2
1092L27.2Very low30.3Very low155 Ų155140.3 Ų140.381%0.81274%0.744SS**  172.9134108.2-89163.1000113.3
1093L25.9Very low30.2Very low143 Ų143138.2 Ų138.275%0.74973%0.733SS**  trans49.495.8141.1-66.1177000122.8
1094S27.2Very low30.1Very low94 Ų94138.4 Ų138.466%0.65773%0.731SS**  67.6148.8105.770.70000124.1
1095S31.4Very low30.1Very low109 Ų109137.8 Ų137.876%0.76274%0.737SS**  trans77.2162.7164.884.40000115.6
1096P38.1Very low29.8Very low103 Ų103136.3 Ų136.367%0.66973%0.732SS**  cis-117.3-168.83.315.911.9000111.4
1097Y32.8Very low29.7Very low187 Ų187136 Ų13673%0.73373%0.73SS**  cis-149147.731.3-105.7-99.4000109.4
1098Q29Very low29.2Very low140 Ų140135.5 Ų135.565%0.65473%0.727SS**  49.1145.3109.1-62.5-156.8-69.200118.1
1099D31.7Very low28.8Very low122 Ų122137.1 Ų137.165%0.65273%0.731SS**  cis-153.9159.5-7.5-94.1-20.2000107
1100S26Very low28.5Very low95 Ų95136 Ų13666%0.66472%0.723SS**  cis88.8108.127.5-177.60000116.3
1101M24.9Very low28.3Very low164 Ų164136.5 Ų136.581%0.80872%0.716SS**  trans82.9122.3150.3-75.5-167.9155.800123.9
1102L25.6Very low28.3Very low134 Ų134130.6 Ų130.670%0.70271%0.706SS**  trans87151.9132-98.675.4000123.6
1103D25.8Very low28.1Very low109 Ų109130.6 Ų130.658%0.58370%0.702SS**  trans66.5117.5156.2-75.822000119.8
1104K26.9Very low28.1Very low166 Ų166133.5 Ų133.572%0.72271%0.705SS**  cis105.8105.448.2-90.5-166.2-158.681.90109
1105C27.9Very low28.1Very low123 Ų123139.8 Ų139.883%0.83171%0.714SS**  trans-161.6119.2130.2-112.70000115.2
1106S28.4Very low27.8Very low97 Ų97140 Ų14068%0.67871%0.707SS**  trans45.9112.6140.760.10000123
1107N27.2Very low27.3Very low127 Ų127144.1 Ų144.168%0.67971%0.71SS**  82111.8125.4-76.7-48.8000122.2
1108R27.9Very low27.1Very low208 Ų208141 Ų14179%0.78571%0.706SS**  74.5141.2129.9-59.9177.3-165-157.6-0.2117.4
1109N28.5Very low27.2Very low128 Ų128140.7 Ų140.768%0.68471%0.709SS**  cis-162.4166.4-1.4-122.415.6000110.8
1110I29.1Very low27.2Very low139 Ų139140.8 Ų140.871%0.71371%0.71SS**  trans69.9107.1158.1-66.7158.7000114
1111S24.6Very low27.5Very low83 Ų83141.8 Ų141.858%0.5871%0.708SS**  6992.255.583.90000112.5
1112T27.4Very low27.8Very low116 Ų116139.8 Ų139.871%0.71270%0.7SS**  69.5151.69560.60000115.9
1113E24.8Very low28.1Very low155 Ų155138.7 Ų138.772%0.72470%0.695SS**  trans84.2108.9155.5-71.8148.3-128.200122
1114Y25.3Very low28.3Very low205 Ų205142.2 Ų142.280%0.80471%0.708SS**  79.7164129.6-87.8-107.2000121.4
1115W26.1Very low28.5Very low225 Ų225138.3 Ų138.385%0.85272%0.715SS**  trans73.2140175.1-48.389.9000117.2
1116D26.2Very low28.5Very low114 Ų114135.8 Ų135.861%0.6171%0.71SS**  cis-167.2167-41.2-133.3-34.3000108.2
1117Y27.4Very low28.7Very low190 Ų190138.9 Ų138.975%0.74572%0.717SS**  trans48.5100.7156.3-94.8-111.8000120.5
1118N29Very low29.1Very low121 Ų121139.4 Ų139.465%0.64772%0.72SS**  64.9151.9109.1-74.3-40.5000122.8
1119N30.2Very low29.2Very low133 Ų133135.5 Ų135.571%0.71172%0.719SS**  trans81.294.4151.7-7928.8000119.9
1120D32.1Very low29.4Very low125 Ų125137.7 Ų137.767%0.66873%0.729SS**  68.1126.498.9-85.422.2000121.2
1121N32.5Very low29.5Very low116 Ų116140.5 Ų140.562%0.6274%0.736SS**  75.6108.9128.9-77.2-47.3000119.9
1122N32.2Very low29.9Very low122 Ų122146 Ų14665%0.65276%0.755SS**  111.3132.2105.7-88.7-28.9000120.3
1123N31Very low30Very low111 Ų111147 Ų14759%0.59476%0.756SS**  trans82.6113.7135.1-73.7-26.4000121.6
1124Q29.1Very low30.4Very low183 Ų183150.4 Ų150.486%0.85576%0.762SS**  51.8119.9115.2-58.3174.76.800118.6
1125G31Very low30.7Very low84 Ų84146.5 Ų146.587%0.86676%0.755SS**  trans-18064.6167.900000114.4
1126G29Very low30.8Very low70 Ų70141 Ų14172%0.72274%0.743SS**  trans-84.4179.4170.200000113.6
1127I33Very low31Very low161 Ų161141.6 Ų141.683%0.82675%0.746SS**  trans96.3140.1163.8-58170.8000117.4
1128N34.6Very low31Very low139 Ų139139.5 Ų139.574%0.74375%0.747SS**  trans80.779.3168.6-69.5-18.8000120.9
1129T29.6Very low31Very low126 Ų126141.6 Ų141.677%0.77375%0.754SS**  8.3133.1122.957.60000119.8
1130I33Very low31Very low174 Ų174141.1 Ų141.189%0.89275%0.752SS**  trans-142.9144.7139.4-100.9154.9000108.5
1131K31.1Very low31.1Very low197 Ų197142.3 Ų142.386%0.85775%0.753SS**  trans-86.9140.2174.2-65.6174.6177.6176.40110.5
1132M33.4Very low31.1Very low199 Ų199145.3 Ų145.398%0.9876%0.764SS**  trans-150.4162.3135.4-111.4176.6-162.600110.7
1133N30.5Very low30.9Very low138 Ų138147.7 Ų147.774%0.73877%0.768SS**  trans-145.3119.3-162.7172.617.6000109.8
1134R33.3Very low30.9Very low226 Ų226150.4 Ų150.485%0.85378%0.781SS**  trans-179122.9143.7-104.2161.2-168.1-156.22.5113.5
1135N30.5Very low30.8Very low122 Ų122148.4 Ų148.465%0.65277%0.771SS**  54.7119.3122.8-69.866.2000121.6
1136N29.2Very low30.8Very low111 Ų111152.6 Ų152.659%0.59477%0.772SS**  82.4122.8127.8-70.869.8000119.8
1137D28.6Very low30.8Very low125 Ų125158.7 Ų158.767%0.66878%0.775SS**  50.1110.7128.7-33.9-22.9000118.3
1138L28.6Very low30.8Very low147 Ų147158.9 Ų158.977%0.7778%0.776SS**  173.1147.399.1-92.4155.7000110.8
1139M28.7Very low30.8Very low164 Ų164156.4 Ų156.481%0.80877%0.767SS**  trans47.6130152.8-55.3-67.5177.900118.9
1140D30.8Very low31Very low124 Ų124155.2 Ų155.266%0.66376%0.764SS**  -159.7160.397.4-134.4-33.3000113.9
1141H34Very low30.9Very low150 Ų150152.3 Ų152.369%0.69476%0.758SS**  trans63151.4161.7-53.5-10.6000118.7
1142Q32.7Very low31Very low179 Ų179150 Ų15084%0.83675%0.751SS**  cis-165.3150.5-49-119.3176.56.200106.6
1143K27.6Very low31.1Very low171 Ų171149.2 Ų149.274%0.74374%0.738SS**  trans-62.9144.5177.1-76.5-171.5168.2-1580112.4E1145K1143-E1145 WeakPolarHBondContact CE-OE1 3.5Å; K1143-E1145 IonicContact NZ-OE1 3.49Å; K1143-E1145 PolarHBondContact NZ-OE1 3.32Å
1144I31Very low31.1Very low169 Ų169149.3 Ų149.387%0.86774%0.735SS**  -144.1145.5128-96150.1000107.3
1145E27.2Very low30.9Very low140 Ų140146.9 Ų146.965%0.65473%0.731SS**  trans-112.8129.3-174-65.5161.1-175.900110.5K1143K1143-E1145 WeakPolarHBondContact CE-OE1 3.5Å; K1143-E1145 IonicContact NZ-OE1 3.49Å; K1143-E1145 PolarHBondContact NZ-OE1 3.32Å
1146I30.8Very low30.8Very low173 Ų173148 Ų14889%0.88773%0.734SS**  trans-138.8145.8148.6-63.4-170.8000107.9
1147Y29.4Very low30.9Very low197 Ų197149.1 Ų149.177%0.77374%0.738SS**  trans-112.6151-168.8-148.5-102.1000110.5P1149Y1147-P1149 HydrophobicContact CE1-CG 4.41Å
1148I32.8Very low31Very low166 Ų166149 Ų14985%0.85174%0.737SS**  trans175.7145.7135.2-92.9155000110.6
1149P34.7Very low31.1Very low86 Ų86148.4 Ų148.456%0.55873%0.734SS**  trans-136.1161.8-157.540.9-22000119Y1147Y1147-P1149 HydrophobicContact CE1-CG 4.41Å
1150S32.4Very low31.4Very low102 Ų102146.2 Ų146.271%0.71373%0.73SS**  trans71.3164.1136.964.50000123.4
1151C31.5Very low31.4Very low113 Ų113147 Ų14776%0.76473%0.734SS**  trans75.5109.2168.4-62.10000117.2
1152Q34.4Very low31.4Very low149 Ų149149.1 Ų149.170%0.69674%0.744SS**  cis94.2141.711.8-151.6-171.46.500116.7
1153Y33.6Very low31.4Very low181 Ų181146.1 Ų146.171%0.7174%0.738SS**  trans76.8163173.4-63.4-85000118.6
1154M30.5Very low31.7Very low140 Ų140145.9 Ų145.969%0.6975%0.745SS**  cis177168.9-41.8-172.6167.877.400108.7
1155K30.9Very low31.7Very low175 Ų175143.9 Ų143.976%0.76174%0.736SS**  trans80.4158.1167.8-66.9-174.4176.9-177.90116.2
1156M28.6Very low32Very low145 Ų145147.1 Ų147.171%0.71475%0.748SS**  cis173.8160.4-39.8-105.1-123.6-65.400108
1157M30.2Very low32Very low136 Ų136148.1 Ų148.167%0.6774%0.741SS**  trans76.6125.1152.4-80168.9130.900120.1
1158D31.9Very low32.1Very low122 Ų122144.3 Ų144.365%0.65274%0.744SS**  74.6145.3124.9-611.9000121
1159L30.5Very low32Very low134 Ų134146.2 Ų146.270%0.70274%0.741SS**  cis-166.6-172.4-23.6-121.1171.2000108.3
1160T33.8Very low31.9Very low119 Ų119149.3 Ų149.373%0.7375%0.753SS**  trans68.1120.9175.865.10000114.8
1161D31.8Very low31.8Very low140 Ų140147.9 Ų147.975%0.74975%0.748SS**  77.210353.2-72.3-47.9000113.6
1162E34Very low31.8Very low195 Ų195153.6 Ų153.691%0.91175%0.754SS**  -150.7122124.6-120.9176.4-159.500112
1163T32.8Very low31.8Very low116 Ų116151 Ų15171%0.71275%0.752SS**  trans-45.1149.7173.5510000116.7
1164D33.7Very low31.7Very low165 Ų165148.8 Ų148.888%0.88275%0.752SS**  -147.3145.9119.8-151.6-5.3000112.2
1165L31.1Very low31.9Very low128 Ų128153 Ų15367%0.6776%0.762SS**  trans-111.9127.8-169.1-91.7154.3000111.8Y1167L1165-Y1167 HydrophobicContact CD2-CD2 4.45Å; L1165-Y1167 HydrophobicContact CD2-CE2 4.09Å
1166K32.6Very low32.1Very low208 Ų208153 Ų15390%0.90476%0.758SS**  trans-145.7100.3160.1-123163.4-167.9160.40114.2
1167Y30.2Very low32.5Very low193 Ų193153.4 Ų153.476%0.75776%0.764SS**  trans-66.2138.4165.7-76.2-95000111.5L1165L1165-Y1167 HydrophobicContact CD2-CD2 4.45Å; L1165-Y1167 HydrophobicContact CD2-CE2 4.09Å
1168S32.6Very low32.7Very low117 Ų117152.8 Ų152.882%0.81876%0.759SS**  trans-149.5111.6140.961.40000110.8
1169Y29.8Very low33Very low206 Ų206154 Ų15481%0.80877%0.771SS**  trans-61.7144.2161.1-85.4-115.3000110
1170D33Very low33.1Very low151 Ų151154.3 Ų154.381%0.80777%0.769SS**  -157.1169.2100.8-148-17.4000110.3
1171A30.1Very low33Very low73 Ų73160.3 Ų160.360%0.60378%0.778SS**  trans-131.3165.8-165.900000113.8
1172R32.4Very low33Very low233 Ų233161.2 Ų161.288%0.87978%0.775SS**  trans145.7146.8156-81.6153.5-163.7-1676.5110.8
1173S33.1Very low32.9Very low94 Ų94161 Ų16166%0.65777%0.772SS**  cis-169.8135.9-15.249.50000113
1174N31.5Very low32.8Very low134 Ų134160.5 Ų160.572%0.71777%0.773SS**  trans44.4123.1140.1-55.77.7000122.6
1175Y35.4Very low32.4Very low230 Ų230161.1 Ų161.190%0.90278%0.775SS**  -141.5112.2125.1-107.6-94.5000105.3
1176Y35.4Very low32.5Very low174 Ų174164.7 Ų164.768%0.68279%0.785SS**  45.8128.994.5-83.3-89.2000114E1178Y1176-E1178 HydrophobicContact CD1-CG 4.43Å; Y1176-E1178 HydrophobicContact CE1-CG 4.25Å
1177D37.2Very low32.4Very low154 Ų154158.2 Ų158.282%0.82477%0.77SS**  cis-138.4-176.848.1-151-3.4000116.8
1178E34.8Very low32.6Very low123 Ų123159.6 Ų159.658%0.57578%0.776SS**  trans-95.7158.9-162-55.5-175.5162.700117.7Y1176Y1176-E1178 HydrophobicContact CD1-CG 4.43Å; Y1176-E1178 HydrophobicContact CE1-CG 4.25Å
1179T36.4Very low32.8Very low146 Ų146158.6 Ų158.690%0.89677%0.767SS**  -173169.5110.525.60000113.2
1180Q32.4Very low33.2Very low141 Ų141156 Ų15666%0.65977%0.767SS**  trans-119.9160.1-159.2-50.61775.400115.4
1181R33.6Very low33.3Very low246 Ų246157.1 Ų157.193%0.92877%0.773SS**  -168.1156.4114-100.5154.8-165.2-1544.2116.1
1182K30.9Very low33.6Very low159 Ų159157.1 Ų157.169%0.69178%0.78SS**  trans-69.8165.3-176.4-62157-176.51730111.3
1183F31Very low33.6Very low191 Ų191154 Ų15484%0.83878%0.779SS**  cis-166.1170.248.8-75.6-94.5000110
1184S32.3Very low33.8Very low105 Ų105157.2 Ų157.273%0.73479%0.787SS**  cis-175145.3-29.258.60000110.1
1185L24.2Very low34Very low177 Ų177163.5 Ų163.593%0.92781%0.812SS**  trans-98.8162.1-175.1-101.8162.7000115.2
1186K32.7Very low33.9Very low203 Ų203160.2 Ų160.288%0.88381%0.808SS**  trans-145.4129.1166.6-118.4-177.9-179.9-178.20111.2
1187A31.2Very low33.8Very low72 Ų72159.4 Ų159.460%0.59581%0.814SS**  trans-77.4168.1171.300000110.8
1188Y34.5Very low33.6Very low222 Ų222159.7 Ų159.787%0.87181%0.814SS**  -175.8177.860.7-80.8-83.7000109.2
1189P37.8Very low33.6Very low96 Ų96161.9 Ų161.962%0.62383%0.828SS**  -134178.2-6637.2-18000112.5
1190N37.6Very low33.4Very low152 Ų152162.9 Ų162.981%0.81382%0.824SS**  163.6119.9126.6-85.6-16000111.7
1191D34.7Very low33.5Very low174 Ų174164.3 Ų164.393%0.9384%0.835SS**  trans-73.6140153.5-62.8-67.8000109.2
1192G35.7Very low33.5Very low74 Ų74158.5 Ų158.576%0.76383%0.828SS**  trans-165.776.4-173.400000113.4I1194G1192-I1194 PolarHBondContact O-N 2.94Å
1193I32.8Very low33.7Very low166 Ų166158.5 Ų158.585%0.85184%0.839SS**  trans-59.4129-178.8-59.8159.8000111.8
1194I37Very low33.9Very low162 Ų162155.8 Ų155.883%0.83184%0.839SS**  trans-151.2130.8147.2-95.3145000107.2G1192G1192-I1194 PolarHBondContact O-N 2.94Å
1195Q36.2Very low34Very low266 Ų266160.4 Ų160.4100%1.24385%0.848SS**  trans6.70-177.8-67.3-169.6-8600118.8

Retrieved 1,195 of 1,195 residues in 1371.9 ms (Link to these results)

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