G4V8Y7_SCHMA Loading...

Putative major egg antigen

AlphaFold DB , UniProt , Accession G4V8Y7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low54.8Low244 Ų244121 Ų121100%1.20272%0.718SS**  092.40-70.7179.8165.600107.7G3M1-G3 PolarHBondContact O-N 3.48Å
2S34.1Very low58.3Low125 Ų125111.9 Ų111.987%0.87466%0.664SS**  trans-74.1102.6167.4176.30000105.9G4S2-G4 PolarHBondContact O-N 3.04Å
3G28.2Very low61.2Low68 Ų68110.2 Ų110.270%0.70166%0.657SS**  trans-63.5102.117300000108M1 K5M1-G3 PolarHBondContact O-N 3.48Å; G3-K5 PolarHBondContact O-N 3.13Å
4G31.2Very low63.8Low70 Ų70104.3 Ų104.372%0.72262%0.622SS**  trans-57.4111169.100000107.4S2 Q6S2-G4 PolarHBondContact O-N 3.04Å; G4-Q6 PolarHBondContact O-N 3.4Å
5K38.7Very low66Low173 Ų173103.4 Ų103.475%0.75261%0.613SS**  trans-59108.5166.2-83.4-176.8175.6-179.70105.7G3 H7G3-K5 PolarHBondContact O-N 3.13Å; K5-H7 PolarHBondContact O-CD2 3.34Å; K5-H7 VanDerWaalsContact O-CD2 3.23Å; K5-H7 PolarHBondContact O-N 3.29Å
6Q38.6Very low67.8Low176 Ų176108.1 Ų108.182%0.82262%0.617SS**  trans-62.794.7165.2-134.5163.5-8.300105G4 N8G4-Q6 PolarHBondContact O-N 3.4Å; Q6-N8 VanDerWaalsContact C-N 3.3Å; Q6-N8 PolarHBondContact O-N 3.3Å
7H54.8Low69.4Low113 Ų113103.8 Ų103.852%0.52359%0.59SS.*  trans-68.894.6178-83.1-88.6000107K5 A9 E161K5-H7 PolarHBondContact O-CD2 3.34Å; K5-H7 VanDerWaalsContact O-CD2 3.23Å; K5-H7 PolarHBondContact O-N 3.29Å; H7-A9 PolarHBondContact O-N 3.09Å; H7-E161 HydrophobicContact CB-CG 4.06Å; H7-E161 IonicContact CG-OE1 3.72Å
8N70.2Confident70.8Confident131 Ų131108 Ų10870%0.70160%0.604SS**  trans-66114.8-179.6-82.5-15.6000109.2Q6 V10Q6-N8 VanDerWaalsContact C-N 3.3Å; Q6-N8 PolarHBondContact O-N 3.3Å; N8-V10 PolarHBondContact O-N 2.83Å
9A84.8Confident72.1Confident59 Ų59104.8 Ų104.849%0.48858%0.582SS.*PPolyproline II helixtrans-62128.9167.200000109.1H7 S159H7-A9 PolarHBondContact O-N 3.09Å; A9-S159 CarbonylContact C-O 3.49Å; A9-S159 WeakPolarHBondContact CA-O 3.49Å
10V93.2Very high73.4Confident92 Ų92101.3 Ų101.356%0.55857%0.565SS**EExtended strand (participates in β ladder)trans-93.3123.5176.4-179.70000108.1N8 T158 S159N8-V10 PolarHBondContact O-N 2.83Å; V10-T158 CarbonylContact O-C 3.57Å; V10-T158 VanDerWaalsContact O-CA 3.26Å; V10-T158 WeakPolarHBondContact O-CA 3.48Å; V10-S159 PolarHBondContact N-O 2.84Å; V10-S159 PolarHBondContact O-N 2.8Å
11S95.2Very high74.5Confident80 Ų8096.5 Ų96.556%0.55954%0.538SS*.EExtended strand (participates in β ladder)trans-76.1132.9172.9-175.90000110.2
12I96.9Very high77.6Confident12 Ų1288 Ų886%0.06250%0.495CS..EExtended strand (participates in β ladder)trans-108.1118.8177.9-58.6164.9000107.6V14 V157 L198 C200 L210I12-V14 PolarHBondContact O-N 3.4Å; I12-V157 HydrophobicContact CB-CB 4.29Å; I12-V157 HydrophobicContact CB-CG1 4.04Å; I12-V157 HydrophobicContact CD1-CG1 4.1Å; I12-V157 PolarHBondContact N-O 3.01Å; I12-L198 HydrophobicContact CD1-CB 3.71Å; I12-L198 HydrophobicContact CD1-CD1 4Å; I12-L198 HydrophobicContact CD1-CG 4.46Å; I12-C200 HydrophobicContact CG2-CB 3.64Å; I12-L210 HydrophobicContact CD1-CD2 4.04Å
13P96.4Very high80.6Confident89 Ų8989 Ų8958%0.57848%0.48SS*.  trans-65.8134.8-178.326.1-33.5000111.7N15P13-N15 PolarHBondContact O-N 3.29Å; P13-N15 PolarHBondContact O-ND2 2.94Å
14V97.6Very high83.9Confident28 Ų2886.3 Ų86.317%0.1745%0.449CS..EExtended strand (participates in β ladder)trans-87.4103.3176.1-176.90000109.8I12 P152 I155 V157 M202 L208I12-V14 PolarHBondContact O-N 3.4Å; V14-P152 HydrophobicContact CB-CB 4.46Å; V14-P152 HydrophobicContact CG1-CB 3.96Å; V14-I155 HydrophobicContact CG2-CB 4.46Å; V14-I155 HydrophobicContact CG2-CG2 4.28Å; V14-V157 HydrophobicContact CG2-CB 4.46Å; V14-V157 HydrophobicContact CG2-CG2 3.68Å; V14-M202 HydrophobicContact CG1-CB 3.87Å; V14-L208 HydrophobicContact CG1-CD1 3.49Å; V14-L208 VanDerWaalsContact CG1-CD1 3.49Å; V14-L208 HydrophobicContact CG2-CD1 4.22Å
15N96.5Very high87Confident91 Ų9183.3 Ų83.349%0.48742%0.416SS..EExtended strand (participates in β ladder)trans-88.4124.6-178.9-59.9-71.9000111.3P13 C200 R201 M202P13-N15 PolarHBondContact O-N 3.29Å; P13-N15 PolarHBondContact O-ND2 2.94Å; N15-C200 PolarHBondContact N-O 3.18Å; N15-C200 VanDerWaalsContact N-O 3.09Å; N15-C200 PolarHBondContact ND2-O 2.99Å; N15-R201 CarbonylContact O-C 3.37Å; N15-R201 WeakPolarHBondContact O-CA 3.38Å; N15-M202 PolarHBondContact O-N 3.35Å
16R95.5Very high89.8Confident179 Ų17980.5 Ų80.568%0.67540%0.4SS*.EExtended strand (participates in β ladder)trans-75.4130.4176.6-170.9176.1179.4166.40.7111.2P152R16-P152 HydrophobicContact CB-CG 4.08Å; R16-P152 HydrophobicContact CG-CG 4.27Å
17E94.3Very high92.6Very high34 Ų3475.1 Ų75.116%0.15938%0.377CS..PPolyproline II helixtrans-103.2139.2168.2-69.3-166.216900110.7R19 Q24 R201 M202E17-R19 HydrophobicContact CB-CG 4.15Å; E17-R19 PolarHBondContact O-N 3.46Å; E17-R19 IonicContact OE1-NH2 3.57Å; E17-R19 PolarHBondContact OE1-NH2 2.89Å; E17-R19 VanDerWaalsContact OE1-NH2 3.16Å; E17-R19 IonicContact OE2-CZ 2.93Å; E17-R19 IonicContact OE2-NE 3.31Å; E17-R19 PolarHBondContact OE2-NE 3.47Å; E17-R19 IonicContact OE2-NH2 3.47Å; E17-R19 PolarHBondContact OE2-NH2 3.08Å; E17-R19 VanDerWaalsContact OE2-NH2 3.11Å; E17-Q24 PolarHBondContact OE2-NE2 2.98Å; E17-R201 HydrophobicContact CG-CB 4.24Å; E17-R201 WeakPolarHBondContact OE1-CD 3.37Å; E17-R201 IonicContact OE1-CZ 2.75Å; E17-R201 IonicContact OE1-NE 3.5Å; E17-R201 IonicContact OE1-NH1 2.78Å; E17-R201 PolarHBondContact OE1-NH1 3Å; E17-M202 PolarHBondContact N-O 3.21Å
18Q94.7Very high94.5Very high180 Ų18070.4 Ų70.484%0.84136%0.356SS*.SBendtrans-89.952.2177.6-62.8-174.714.100111.6
19R96.1Very high95.7Very high48 Ų4864.1 Ų64.118%0.18132%0.323CS..SBendtrans-157.6152.917756-178.5177.6-176.2-3.8110.4E17 R23 Q24 D27 T203 D204E17-R19 HydrophobicContact CB-CG 4.15Å; E17-R19 PolarHBondContact O-N 3.46Å; E17-R19 IonicContact OE1-NH2 3.57Å; E17-R19 PolarHBondContact OE1-NH2 2.89Å; E17-R19 VanDerWaalsContact OE1-NH2 3.16Å; E17-R19 IonicContact OE2-CZ 2.93Å; E17-R19 IonicContact OE2-NE 3.31Å; E17-R19 PolarHBondContact OE2-NE 3.47Å; E17-R19 IonicContact OE2-NH2 3.47Å; E17-R19 PolarHBondContact OE2-NH2 3.08Å; E17-R19 VanDerWaalsContact OE2-NH2 3.11Å; R19-R23 HydrophobicContact CB-CB 4.19Å; R19-R23 HydrophobicContact CB-CG 4.09Å; R19-Q24 HydrophobicContact CG-CB 4.31Å; R19-D27 WeakPolarHBondContact CD-OD2 3.39Å; R19-D27 IonicContact CZ-OD2 3.91Å; R19-D27 IonicContact NE-OD2 3.65Å; R19-D27 IonicContact NH1-OD2 3.85Å; R19-D27 PolarHBondContact NH1-OD2 3.29Å; R19-T203 WeakPolarHBondContact O-CA 3.44Å; R19-T203 VanDerWaalsContact O-CB 3.25Å; R19-T203 WeakPolarHBondContact O-CB 3.17Å; R19-D204 WeakPolarHBondContact CA-OD2 3.39Å; R19-D204 PolarHBondContact O-N 2.94Å
20S97.6Very high96.2Very high34 Ų3463.7 Ų63.724%0.23831%0.314CS..  trans-72.5160.9173.768.70000111.5E22 R23 Q24 D204 D205S20-E22 PolarHBondContact O-N 3.07Å; S20-R23 PolarHBondContact O-N 3.06Å; S20-R23 VanDerWaalsContact O-N 3.14Å; S20-R23 WeakPolarHBondContact OG-CB 3.31Å; S20-R23 PolarHBondContact OG-N 2.86Å; S20-Q24 WeakPolarHBondContact O-CB 3.3Å; S20-Q24 PolarHBondContact O-N 2.66Å; S20-D204 WeakPolarHBondContact CA-OD1 3.43Å; S20-D204 WeakPolarHBondContact CB-OD1 3.39Å; S20-D204 PolarHBondContact N-OD1 3.39Å; S20-D204 PolarHBondContact N-OD2 3.49Å; S20-D205 WeakPolarHBondContact CA-OD1 2.87Å
21F97.4Very high96.3Very high1 Ų161.5 Ų61.50%0.00431%0.31CS..Hα-helixtrans-58-39.1174.9177.3-120.3000112.4Q24 R25 M70 L73 R74 M77 R144 T203 D205 V207 M209F21-Q24 PolarHBondContact O-N 2.87Å; F21-R25 PolarHBondContact O-N 2.91Å; F21-M70 HydrophobicContact CD1-CE 3.6Å; F21-M70 HydrophobicContact CE1-CE 3.59Å; F21-M70 HydrophobicContact CE1-SD 4.49Å; F21-L73 HydrophobicContact CE1-CB 3.99Å; F21-L73 HydrophobicContact CZ-CB 3.93Å; F21-L73 HydrophobicContact CZ-CD1 4.04Å; F21-R74 HydrophobicContact CE1-CG 4.44Å; F21-M77 HydrophobicContact CD1-CE 3.41Å; F21-M77 VanDerWaalsContact CD1-CE 3.41Å; F21-M77 HydrophobicContact CE1-CE 3.34Å; F21-M77 HydrophobicContact CG-CE 4.05Å; F21-M77 HydrophobicContact CZ-CE 3.95Å; F21-R144 VanDerWaalsContact CE2-NE 3.25Å; F21-R144 VanDerWaalsContact CZ-NE 3.31Å; F21-T203 HydrophobicContact CB-CG2 4.22Å; F21-D205 PolarHBondContact N-OD1 3.15Å; F21-D205 PolarHBondContact N-OD2 3Å; F21-V207 HydrophobicContact CB-CB 4.03Å; F21-V207 HydrophobicContact CB-CG2 3.62Å; F21-V207 HydrophobicContact CD1-CG2 4.36Å; F21-V207 HydrophobicContact CD2-CB 4.43Å; F21-V207 HydrophobicContact CD2-CG1 4.06Å; F21-V207 HydrophobicContact CG-CB 4.25Å; F21-V207 HydrophobicContact CG-CG1 4.2Å; F21-V207 HydrophobicContact CG-CG2 3.94Å; F21-M209 HydrophobicContact CD2-CE 4.09Å; F21-M209 HydrophobicContact CE2-CE 3.71Å
22E97.6Very high96.1Very high66 Ų6658.3 Ų58.331%0.30829%0.286SS..Hα-helixtrans-63.1-46.4175.3-170.4-178.2158.600111.4S20 R25 R26 W66 M70S20-E22 PolarHBondContact O-N 3.07Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-R26 WeakPolarHBondContact O-CG 3.37Å; E22-R26 PolarHBondContact O-N 2.85Å; E22-R26 IonicContact OE1-CZ 3.76Å; E22-R26 IonicContact OE1-NE 3.01Å; E22-R26 PolarHBondContact OE1-NE 3.24Å; E22-R26 IonicContact OE1-NH2 3.57Å; E22-R26 PolarHBondContact OE1-NH2 3.3Å; E22-W66 HydrophobicContact CG-CH2 4.5Å; E22-W66 HydrophobicContact CG-CZ2 3.5Å; E22-W66 PolarHBondContact OE1-NE1 3.28Å; E22-M70 HydrophobicContact CB-CE 3.98Å; E22-M70 HydrophobicContact CG-CE 4.14Å
23R97.8Very high95.8Very high146 Ų14661.2 Ų61.255%0.55130%0.3SS*.Hα-helixtrans-64-43178.5-177.6172.6-178.2-176.83.3111.6R19 S20 R25 R26 D27R19-R23 HydrophobicContact CB-CB 4.19Å; R19-R23 HydrophobicContact CB-CG 4.09Å; S20-R23 PolarHBondContact O-N 3.06Å; S20-R23 VanDerWaalsContact O-N 3.14Å; S20-R23 WeakPolarHBondContact OG-CB 3.31Å; S20-R23 PolarHBondContact OG-N 2.86Å; R23-R25 VanDerWaalsContact C-N 3.28Å; R23-R25 PolarHBondContact O-N 3.13Å; R23-R26 PolarHBondContact O-N 3.13Å; R23-D27 PolarHBondContact O-N 3.42Å
24Q96.6Very high95.3Very high11 Ų1164 Ų645%0.05131%0.305CS..Hα-helixtrans-56.1-42.4173.9-176.5-168.263.300111.6E17 R19 S20 F21 D27 L28E17-Q24 PolarHBondContact OE2-NE2 2.98Å; R19-Q24 HydrophobicContact CG-CB 4.31Å; S20-Q24 WeakPolarHBondContact O-CB 3.3Å; S20-Q24 PolarHBondContact O-N 2.66Å; F21-Q24 PolarHBondContact O-N 2.87Å; Q24-D27 PolarHBondContact O-N 2.71Å; Q24-L28 PolarHBondContact O-N 3.13Å; Q24-L28 VanDerWaalsContact O-N 3.1Å
25R97Very high94.1Very high6 Ų664.6 Ų64.62%0.02332%0.316CS..Hα-helixtrans-67.3-40.4177.2-173.354166.6-150.9-7.8112.4F21 E22 R23 L28 L29 W66 E69 M70 L73 E132F21-R25 PolarHBondContact O-N 2.91Å; E22-R25 PolarHBondContact O-N 2.83Å; R23-R25 VanDerWaalsContact C-N 3.28Å; R23-R25 PolarHBondContact O-N 3.13Å; R25-L28 PolarHBondContact O-N 3.16Å; R25-L29 PolarHBondContact O-N 2.83Å; R25-W66 HydrophobicContact CB-CH2 3.88Å; R25-W66 HydrophobicContact CB-CZ3 4.49Å; R25-W66 HydrophobicContact CG-CH2 3.71Å; R25-W66 HydrophobicContact CG-CZ3 3.83Å; R25-E69 IonicContact CZ-OE1 2.97Å; R25-E69 IonicContact NE-OE1 2.98Å; R25-E69 PolarHBondContact NE-OE1 2.82Å; R25-E69 IonicContact NH2-OE1 3.4Å; R25-E69 PolarHBondContact NH2-OE1 3.13Å; R25-M70 HydrophobicContact CB-SD 4.05Å; R25-M70 HydrophobicContact CG-SD 3.98Å; R25-L73 HydrophobicContact CG-CD1 4.4Å; R25-E132 IonicContact CZ-OE2 3.85Å; R25-E132 IonicContact NH1-OE2 3.92Å; R25-E132 PolarHBondContact NH1-OE2 3.24Å; R25-E132 IonicContact NH2-OE2 3.51Å; R25-E132 PolarHBondContact NH2-OE2 2.95Å
26R97.7Very high92.2Very high114 Ų11462.3 Ų62.343%0.4331%0.307SS..Hα-helixtrans-62-44.4174.3-69.4-177.7-179.9-129.52.7111.9E22 R23 L28 L29 T30 W63 W66E22-R26 WeakPolarHBondContact O-CG 3.37Å; E22-R26 PolarHBondContact O-N 2.85Å; E22-R26 IonicContact OE1-CZ 3.76Å; E22-R26 IonicContact OE1-NE 3.01Å; E22-R26 PolarHBondContact OE1-NE 3.24Å; E22-R26 IonicContact OE1-NH2 3.57Å; E22-R26 PolarHBondContact OE1-NH2 3.3Å; R23-R26 PolarHBondContact O-N 3.13Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.37Å; R26-L29 PolarHBondContact O-N 2.96Å; R26-T30 WeakPolarHBondContact O-CB 3.47Å; R26-T30 PolarHBondContact O-N 3.49Å; R26-T30 PolarHBondContact O-OG1 3.33Å; R26-W63 HydrophobicContact CB-CH2 3.97Å; R26-W63 HydrophobicContact CG-CH2 3.89Å; R26-W63 HydrophobicContact CG-CZ3 4.05Å; R26-W66 HydrophobicContact CB-CH2 4.37Å; R26-W66 HydrophobicContact CG-CH2 3.42Å; R26-W66 VanDerWaalsContact CG-CH2 3.42Å; R26-W66 HydrophobicContact CG-CZ2 3.5Å; R26-W66 HydrophobicContact CG-CZ3 4.36Å
27D96.2Very high89.9Confident63 Ų6356.9 Ų56.934%0.33731%0.307SS..Hα-helixtrans-61.1-40.6179.6-65.5-17.5000111R19 R23 Q24 G31R19-D27 WeakPolarHBondContact CD-OD2 3.39Å; R19-D27 IonicContact CZ-OD2 3.91Å; R19-D27 IonicContact NE-OD2 3.65Å; R19-D27 IonicContact NH1-OD2 3.85Å; R19-D27 PolarHBondContact NH1-OD2 3.29Å; R23-D27 PolarHBondContact O-N 3.42Å; Q24-D27 PolarHBondContact O-N 2.71Å; D27-G31 PolarHBondContact O-N 2.66Å
28L95.2Very high87.6Confident14 Ų1461.4 Ų61.47%0.07334%0.337CS..Hα-helixtrans-58.9-53.8174.917367.3000111.8Q24 R25 R26 G31 L32 E135Q24-L28 PolarHBondContact O-N 3.13Å; Q24-L28 VanDerWaalsContact O-N 3.1Å; R25-L28 PolarHBondContact O-N 3.16Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.37Å; L28-G31 PolarHBondContact O-N 2.87Å; L28-L32 HydrophobicContact CD1-CD1 3.89Å; L28-L32 HydrophobicContact CD1-CG 4.34Å; L28-L32 HydrophobicContact CG-CD1 4.14Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.88Å; L28-E135 HydrophobicContact CD1-CB 4.35Å; L28-E135 HydrophobicContact CD1-CG 3.65Å
29L95.9Very high85.3Confident0 Ų060.3 Ų60.30%033%0.332CS..Hα-helixtrans-62.6-46.1-178.2-65.5-179.3000111.1R25 R26 G31 L32 E33 W58 I59 W63 W66R25-L29 PolarHBondContact O-N 2.83Å; R26-L29 PolarHBondContact O-N 2.96Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 2.9Å; L29-E33 WeakPolarHBondContact O-CG 3.04Å; L29-E33 PolarHBondContact O-N 3.17Å; L29-W58 HydrophobicContact CD2-CH2 3.62Å; L29-W58 HydrophobicContact CD2-CZ2 4.22Å; L29-W58 HydrophobicContact CD2-CZ3 3.83Å; L29-I59 HydrophobicContact CB-CG2 4.26Å; L29-I59 HydrophobicContact CD2-CG1 4.34Å; L29-I59 HydrophobicContact CD2-CG2 4.24Å; L29-W63 HydrophobicContact CB-CH2 4.34Å; L29-W63 HydrophobicContact CB-CZ2 3.56Å; L29-W63 HydrophobicContact CD1-CD2 3.93Å; L29-W63 HydrophobicContact CD1-CE3 4.22Å; L29-W63 HydrophobicContact CD1-CG 4.46Å; L29-W63 HydrophobicContact CD1-CH2 4.32Å; L29-W63 HydrophobicContact CD1-CZ2 4.05Å; L29-W63 HydrophobicContact CD1-CZ3 4.39Å; L29-W63 HydrophobicContact CG-CZ2 4.47Å; L29-W66 HydrophobicContact CD1-CE3 4.29Å; L29-W66 HydrophobicContact CD1-CZ3 3.7Å
30T95.5Very high83.1Confident50 Ų5060.4 Ų60.431%0.30733%0.332SS..Hα-helixtrans-60.1-45.7177.8-51.80000110.6R26 L32 E33 H34R26-T30 WeakPolarHBondContact O-CB 3.47Å; R26-T30 PolarHBondContact O-N 3.49Å; R26-T30 PolarHBondContact O-OG1 3.33Å; T30-L32 VanDerWaalsContact C-N 3.32Å; T30-L32 PolarHBondContact O-N 3.07Å; T30-E33 PolarHBondContact O-N 3.31Å; T30-H34 WeakPolarHBondContact CG2-CE1 3.06Å; T30-H34 WeakPolarHBondContact CG2-ND1 3.13Å; T30-H34 PolarHBondContact O-N 3.33Å; T30-H34 PolarHBondContact O-ND1 3.37Å
31G94Very high80.6Confident46 Ų4661.1 Ų61.147%0.47435%0.345SS..Hα-helixtrans-60.1-41.9178.200000112.6D27 L28 L29 H34 G35D27-G31 PolarHBondContact O-N 2.66Å; L28-G31 PolarHBondContact O-N 2.87Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 2.89Å; G31-H34 PolarHBondContact O-N 2.79Å; G31-G35 PolarHBondContact O-N 3.18Å
32L92Very high78Confident12 Ų1269 Ų696%0.06339%0.387CS..Hα-helixtrans-68.5-35.7177.5-71.5171.2000113.1L28 L29 T30 W58 I59 V133L28-L32 HydrophobicContact CD1-CD1 3.89Å; L28-L32 HydrophobicContact CD1-CG 4.34Å; L28-L32 HydrophobicContact CG-CD1 4.14Å; L28-L32 WeakPolarHBondContact O-CG 3.29Å; L28-L32 PolarHBondContact O-N 2.88Å; L29-L32 PolarHBondContact O-N 2.9Å; T30-L32 VanDerWaalsContact C-N 3.32Å; T30-L32 PolarHBondContact O-N 3.07Å; L32-W58 HydrophobicContact CD1-CH2 4.33Å; L32-W58 HydrophobicContact CD1-CZ3 3.76Å; L32-I59 HydrophobicContact CB-CD1 3.64Å; L32-I59 HydrophobicContact CB-CG1 4.45Å; L32-V133 HydrophobicContact CD1-CG1 3.94Å
33E91Very high75.5Confident73 Ų7369.9 Ų69.934%0.34139%0.394SS..Hα-helixtrans-63.7-48.2173.9-73174.814900111.7L29 T30 G35 S36 I59 W63L29-E33 WeakPolarHBondContact O-CG 3.04Å; L29-E33 PolarHBondContact O-N 3.17Å; T30-E33 PolarHBondContact O-N 3.31Å; E33-G35 VanDerWaalsContact C-N 3.32Å; E33-G35 PolarHBondContact O-N 2.84Å; E33-S36 VanDerWaalsContact O-CB 3.22Å; E33-S36 WeakPolarHBondContact O-CB 3.27Å; E33-S36 PolarHBondContact O-N 2.92Å; E33-I59 HydrophobicContact CG-CD1 4.27Å; E33-I59 HydrophobicContact CG-CG2 3.54Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.31Å; E33-W63 VanDerWaalsContact CD-NE1 3.31Å; E33-W63 PolarHBondContact OE1-NE1 3.31Å; E33-W63 PolarHBondContact OE2-NE1 3.29Å
34H85.8Confident73Confident149 Ų14968.8 Ų68.869%0.6940%0.397SS*.Hα-helixtrans-71.7-28.9-177.5-67.978.4000112.2T30 G31 S36T30-H34 WeakPolarHBondContact CG2-CE1 3.06Å; T30-H34 WeakPolarHBondContact CG2-ND1 3.13Å; T30-H34 PolarHBondContact O-N 3.33Å; T30-H34 PolarHBondContact O-ND1 3.37Å; G31-H34 PolarHBondContact O-N 2.79Å; H34-S36 PolarHBondContact O-N 2.82Å
35G72.3Confident71Confident39 Ų3970 Ų7040%0.40241%0.412SS..THydrogen-bonded Turntrans-69.8-10.6174.900000114.7G31 E33 G37G31-G35 PolarHBondContact O-N 3.18Å; E33-G35 VanDerWaalsContact C-N 3.32Å; E33-G35 PolarHBondContact O-N 2.84Å; G35-G37 VanDerWaalsContact C-N 3.31Å; G35-G37 PolarHBondContact O-N 3.13Å
36S56.5Low69.3Low44 Ų4471.7 Ų71.731%0.30842%0.424SS..THydrogen-bonded Turntrans-70-19.5-171.9-170.20000114.5E33 H34E33-S36 VanDerWaalsContact O-CB 3.22Å; E33-S36 WeakPolarHBondContact O-CB 3.27Å; E33-S36 PolarHBondContact O-N 2.92Å; H34-S36 PolarHBondContact O-N 2.82Å
37G47.9Very low68.5Low65 Ų6567.2 Ų67.267%0.6741%0.408SS*.THydrogen-bonded Turntrans-84.1-36.3-16500000118.3G35G35-G37 VanDerWaalsContact C-N 3.31Å; G35-G37 PolarHBondContact O-N 3.13Å
38T45.6Very low67.9Low129 Ų12964.8 Ų64.879%0.79140%0.395SS*.THydrogen-bonded Turntrans-151.1-15-166.938.20000116.2
39H45.2Very low67.3Low157 Ų15773.6 Ų73.673%0.72744%0.436SS*.SBendtrans-103.1-5.1179.1-75.5-66.3000114.5G41H39-G41 PolarHBondContact O-N 3.14Å
40R51Low67Low50 Ų5076.1 Ų76.119%0.18945%0.449CS..G310 helixtrans-64.5-18.2176-96.6-173-176.1172.24.3113.7N42 L43 I44 P52 D56R40-N42 PolarHBondContact O-N 3.48Å; R40-N42 VanDerWaalsContact O-N 3.08Å; R40-L43 CarbonylContact O-C 3.52Å; R40-L43 PolarHBondContact O-N 2.94Å; R40-I44 WeakPolarHBondContact O-CG1 3.36Å; R40-I44 PolarHBondContact O-N 2.79Å; R40-I44 VanDerWaalsContact O-N 3.07Å; R40-P52 VanDerWaalsContact NH1-CA 3.35Å; R40-P52 VanDerWaalsContact NH1-CB 3.33Å; R40-P52 PolarHBondContact NH1-O 3.1Å; R40-P52 VanDerWaalsContact NH1-O 3.09Å; R40-D56 IonicContact CZ-OD1 2.94Å; R40-D56 IonicContact NH1-OD1 3.8Å; R40-D56 PolarHBondContact NH1-OD1 2.78Å; R40-D56 IonicContact NH1-OD2 2.79Å; R40-D56 PolarHBondContact NH1-OD2 3.34Å; R40-D56 IonicContact NH2-OD1 3.66Å; R40-D56 PolarHBondContact NH2-OD1 2.8Å
41G43.7Very low66.7Low49 Ų4974.2 Ų74.251%0.50544%0.436SS..G310 helixtrans-55.4-25.7-176.500000116.3H39 I44H39-G41 PolarHBondContact O-N 3.14Å; G41-I44 WeakPolarHBondContact O-CD1 2.77Å; G41-I44 VanDerWaalsContact O-CG1 3.29Å; G41-I44 WeakPolarHBondContact O-CG1 3.46Å
42N44.3Very low66.4Low167 Ų16774 Ų7489%0.89343%0.426SS*.G310 helixtrans-113.73.7174.9-78.8-12.1000113.3R40R40-N42 PolarHBondContact O-N 3.48Å; R40-N42 VanDerWaalsContact O-N 3.08Å
43L44.4Very low66.3Low84 Ų8476.4 Ų76.444%0.4444%0.444SS..THydrogen-bonded Turntrans-105.75.3172.3-64.8163.7000111.3R40R40-L43 CarbonylContact O-C 3.52Å; R40-L43 PolarHBondContact O-N 2.94Å
44I46.3Very low66.4Low123 Ų12373.7 Ų73.763%0.63143%0.433SS*.  trans-57.3129.5-171.5-60.1-178.2000112.4R40 G41R40-I44 WeakPolarHBondContact O-CG1 3.36Å; R40-I44 PolarHBondContact O-N 2.79Å; R40-I44 VanDerWaalsContact O-N 3.07Å; G41-I44 WeakPolarHBondContact O-CD1 2.77Å; G41-I44 VanDerWaalsContact O-CG1 3.29Å; G41-I44 WeakPolarHBondContact O-CG1 3.46Å
45G53.8Low66.7Low35 Ų3566.7 Ų66.736%0.36140%0.401SS..  trans59.656.8148.100000117.3Y47G45-Y47 PolarHBondContact O-N 3.22Å
46P61.9Low67.6Low43 Ų4367.2 Ų67.228%0.27939%0.394SS..SBendtrans-72.2-15.8176.327.1-25.9000112.4K138P46-K138 HydrophobicContact CG-CG 4.24Å
47Y80.6Confident69.4Low20 Ų2068.4 Ų68.48%0.07840%0.403CS..SBendtrans-129.5-58.8-167.2-48.8-45.4000113.2G45 W51 V139 V216 L222G45-Y47 PolarHBondContact O-N 3.22Å; Y47-W51 AromaticContact CD2-CD2 3.68Å; Y47-W51 HydrophobicContact CD2-CD2 3.68Å; Y47-W51 AromaticContact CD2-CE2 3.64Å; Y47-W51 AromaticContact CD2-CE3 3.88Å; Y47-W51 HydrophobicContact CD2-CE3 3.88Å; Y47-W51 HydrophobicContact CD2-CG 4.24Å; Y47-W51 HydrophobicContact CD2-CH2 4.04Å; Y47-W51 AromaticContact CD2-CZ2 3.84Å; Y47-W51 HydrophobicContact CD2-CZ2 3.84Å; Y47-W51 HydrophobicContact CD2-CZ3 4.05Å; Y47-W51 HydrophobicContact CE2-CD2 4.41Å; Y47-W51 AromaticContact CE2-CE2 3.9Å; Y47-W51 HydrophobicContact CE2-CH2 4.19Å; Y47-W51 AromaticContact CE2-CZ2 3.79Å; Y47-W51 HydrophobicContact CE2-CZ2 3.79Å; Y47-V139 HydrophobicContact CE2-CB 4.25Å; Y47-V139 HydrophobicContact CE2-CG2 3.76Å; Y47-V139 PolarHBondContact OH-N 3.43Å; Y47-V216 HydrophobicContact CD1-CG1 3.76Å; Y47-V216 HydrophobicContact CE1-CB 3.86Å; Y47-V216 HydrophobicContact CE1-CG1 3.5Å; Y47-V216 HydrophobicContact CE1-CG2 3.6Å; Y47-L222 VanDerWaalsContact CB-O 3.29Å; Y47-L222 WeakPolarHBondContact CB-O 3.4Å; Y47-L222 HydrophobicContact CD1-CB 4.01Å; Y47-L222 HydrophobicContact CD1-CD1 3.81Å; Y47-L222 HydrophobicContact CD1-CG 3.93Å; Y47-L222 HydrophobicContact CD2-CB 3.96Å; Y47-L222 HydrophobicContact CD2-CD1 4.41Å; Y47-L222 HydrophobicContact CE1-CD1 3.71Å; Y47-L222 HydrophobicContact CE1-CG 4.34Å; Y47-L222 HydrophobicContact CE2-CD1 4.27Å; Y47-L222 HydrophobicContact CG-CB 3.66Å; Y47-L222 HydrophobicContact CG-CD1 4.21Å; Y47-L222 HydrophobicContact CG-CG 4.12Å
48T83.6Confident71.6Confident11 Ų1166 Ų667%0.06737%0.373CS..  trans-140157.9178.963.50000111.2D50 W51T48-D50 WeakPolarHBondContact CB-OD1 3.47Å; T48-D50 PolarHBondContact O-N 3.45Å; T48-D50 PolarHBondContact OG1-OD1 3.38Å; T48-W51 VanDerWaalsContact O-CB 3.26Å; T48-W51 WeakPolarHBondContact O-CB 3.44Å; T48-W51 PolarHBondContact O-N 2.72Å; T48-W51 VanDerWaalsContact O-N 3.17Å; T48-W51 PolarHBondContact OG1-N 2.86Å
49E83Confident74Confident200 Ų20059.9 Ų59.994%0.93534%0.336SS*.THydrogen-bonded Turntrans-60.5-33.3179.2-64.5-177.9177.300112.6
50D87.8Confident76.4Confident53 Ų5356.3 Ų56.328%0.28332%0.322SS..THydrogen-bonded Turntrans-91.10.4-179.867.3-34.4000113.9T48 P52 S53 T54 R233T48-D50 WeakPolarHBondContact CB-OD1 3.47Å; T48-D50 PolarHBondContact O-N 3.45Å; T48-D50 PolarHBondContact OG1-OD1 3.38Å; D50-P52 VanDerWaalsContact C-N 3.29Å; D50-P52 VanDerWaalsContact O-N 3.12Å; D50-S53 WeakPolarHBondContact O-CA 3.39Å; D50-S53 WeakPolarHBondContact O-CB 3.37Å; D50-S53 PolarHBondContact O-N 3.46Å; D50-S53 PolarHBondContact O-OG 2.89Å; D50-T54 PolarHBondContact O-N 2.94Å; D50-T54 PolarHBondContact O-OG1 2.91Å; D50-R233 IonicContact OD1-CZ 3.48Å; D50-R233 IonicContact OD1-NH1 2.71Å; D50-R233 PolarHBondContact OD1-NH1 3.16Å; D50-R233 IonicContact OD1-NH2 2.74Å; D50-R233 PolarHBondContact OD1-NH2 2.97Å; D50-R233 IonicContact OD2-CZ 3.55Å; D50-R233 IonicContact OD2-NH1 3.42Å; D50-R233 PolarHBondContact OD2-NH1 2.85Å; D50-R233 IonicContact OD2-NH2 3.78Å; D50-R233 PolarHBondContact OD2-NH2 2.81Å
51W89.9Confident78.5Confident10 Ų1056.5 Ų56.54%0.03833%0.331CS..Hα-helixtrans-47.2-43.1-178.9178-105.9000114.1Y47 T48 S53 T54 V55 V133 G137 V139 L224Y47-W51 AromaticContact CD2-CD2 3.68Å; Y47-W51 HydrophobicContact CD2-CD2 3.68Å; Y47-W51 AromaticContact CD2-CE2 3.64Å; Y47-W51 AromaticContact CD2-CE3 3.88Å; Y47-W51 HydrophobicContact CD2-CE3 3.88Å; Y47-W51 HydrophobicContact CD2-CG 4.24Å; Y47-W51 HydrophobicContact CD2-CH2 4.04Å; Y47-W51 AromaticContact CD2-CZ2 3.84Å; Y47-W51 HydrophobicContact CD2-CZ2 3.84Å; Y47-W51 HydrophobicContact CD2-CZ3 4.05Å; Y47-W51 HydrophobicContact CE2-CD2 4.41Å; Y47-W51 AromaticContact CE2-CE2 3.9Å; Y47-W51 HydrophobicContact CE2-CH2 4.19Å; Y47-W51 AromaticContact CE2-CZ2 3.79Å; Y47-W51 HydrophobicContact CE2-CZ2 3.79Å; T48-W51 VanDerWaalsContact O-CB 3.26Å; T48-W51 WeakPolarHBondContact O-CB 3.44Å; T48-W51 PolarHBondContact O-N 2.72Å; T48-W51 VanDerWaalsContact O-N 3.17Å; T48-W51 PolarHBondContact OG1-N 2.86Å; W51-S53 VanDerWaalsContact C-N 3.29Å; W51-S53 PolarHBondContact O-N 3.08Å; W51-T54 HydrophobicContact CE3-CG2 4.34Å; W51-T54 HydrophobicContact CZ3-CG2 4.39Å; W51-T54 WeakPolarHBondContact O-CB 3.16Å; W51-T54 PolarHBondContact O-N 2.68Å; W51-T54 VanDerWaalsContact O-N 3.15Å; W51-V55 HydrophobicContact CD2-CG2 3.97Å; W51-V55 VanDerWaalsContact CE2-CG2 3.4Å; W51-V55 HydrophobicContact CG-CG2 4.39Å; W51-V55 HydrophobicContact CH2-CG2 4.32Å; W51-V55 HydrophobicContact CZ2-CG2 3.61Å; W51-V55 WeakPolarHBondContact O-CG2 3.35Å; W51-V55 PolarHBondContact O-N 2.85Å; W51-V133 HydrophobicContact CH2-CG2 4.25Å; W51-V133 HydrophobicContact CZ2-CG2 4.1Å; W51-G137 PolarHBondContact NE1-O 3.4Å; W51-V139 HydrophobicContact CH2-CG2 3.82Å; W51-V139 HydrophobicContact CZ2-CG2 4.16Å; W51-L224 HydrophobicContact CH2-CD1 4.31Å; W51-L224 HydrophobicContact CH2-CD2 4.12Å; W51-L224 HydrophobicContact CH2-CG 4.01Å; W51-L224 HydrophobicContact CZ3-CD2 4.38Å; W51-L224 HydrophobicContact CZ3-CG 3.96Å
52P88.8Confident81Confident40 Ų4054.5 Ų54.526%0.2631%0.309SS..Hα-helixtrans-53.3-44.9174.4-28.237.4000113.3R40 D50 V55 D56R40-P52 VanDerWaalsContact NH1-CA 3.35Å; R40-P52 VanDerWaalsContact NH1-CB 3.33Å; R40-P52 PolarHBondContact NH1-O 3.1Å; R40-P52 VanDerWaalsContact NH1-O 3.09Å; D50-P52 VanDerWaalsContact C-N 3.29Å; D50-P52 VanDerWaalsContact O-N 3.12Å; P52-V55 PolarHBondContact O-N 3.03Å; P52-D56 PolarHBondContact O-N 2.86Å
53S89.8Confident83.5Confident63 Ų6350.1 Ų50.144%0.44128%0.28SS..Hα-helixtrans-73.2-31.317971.90000112.9D50 W51 D56 S57D50-S53 WeakPolarHBondContact O-CA 3.39Å; D50-S53 WeakPolarHBondContact O-CB 3.37Å; D50-S53 PolarHBondContact O-N 3.46Å; D50-S53 PolarHBondContact O-OG 2.89Å; W51-S53 VanDerWaalsContact C-N 3.29Å; W51-S53 PolarHBondContact O-N 3.08Å; S53-D56 PolarHBondContact O-N 3.38Å; S53-S57 WeakPolarHBondContact O-CB 3.29Å; S53-S57 PolarHBondContact O-N 2.79Å; S53-S57 PolarHBondContact O-OG 2.84Å
54T91.7Very high86Confident17 Ų1756.3 Ų56.310%0.10430%0.298CS..Hα-helixtrans-62.4-47172-50.30000110.5D50 W51 S57 W58 L224D50-T54 PolarHBondContact O-N 2.94Å; D50-T54 PolarHBondContact O-OG1 2.91Å; W51-T54 HydrophobicContact CE3-CG2 4.34Å; W51-T54 HydrophobicContact CZ3-CG2 4.39Å; W51-T54 WeakPolarHBondContact O-CB 3.16Å; W51-T54 PolarHBondContact O-N 2.68Å; W51-T54 VanDerWaalsContact O-N 3.15Å; T54-S57 PolarHBondContact O-N 3.3Å; T54-W58 WeakPolarHBondContact O-CB 3.49Å; T54-W58 PolarHBondContact O-N 2.7Å; T54-L224 HydrophobicContact CG2-CB 3.83Å; T54-L224 HydrophobicContact CG2-CD1 4.28Å; T54-L224 HydrophobicContact CG2-CG 4.01Å
55V92.4Very high88.3Confident2 Ų257 Ų571%0.01229%0.293CS..Hα-helixtrans-63.1-44.1176.4173.60000110.7W51 P52 S57 W58 I59 V133W51-V55 HydrophobicContact CD2-CG2 3.97Å; W51-V55 VanDerWaalsContact CE2-CG2 3.4Å; W51-V55 HydrophobicContact CG-CG2 4.39Å; W51-V55 HydrophobicContact CH2-CG2 4.32Å; W51-V55 HydrophobicContact CZ2-CG2 3.61Å; W51-V55 WeakPolarHBondContact O-CG2 3.35Å; W51-V55 PolarHBondContact O-N 2.85Å; P52-V55 PolarHBondContact O-N 3.03Å; V55-S57 VanDerWaalsContact C-N 3.3Å; V55-S57 PolarHBondContact O-N 3.15Å; V55-W58 HydrophobicContact CG1-CE3 4.33Å; V55-W58 WeakPolarHBondContact O-CB 3.27Å; V55-W58 PolarHBondContact O-N 3.03Å; V55-W58 VanDerWaalsContact O-N 3.17Å; V55-I59 HydrophobicContact CG1-CD1 3.95Å; V55-I59 HydrophobicContact CG1-CG1 4.34Å; V55-I59 WeakPolarHBondContact O-CG1 3.48Å; V55-I59 PolarHBondContact O-N 2.9Å; V55-V133 HydrophobicContact CG1-CG1 4.34Å; V55-V133 HydrophobicContact CG2-CG1 4.5Å; V55-V133 HydrophobicContact CG2-CG2 4.39Å
56D92.3Very high90.3Very high49 Ų4956.8 Ų56.826%0.26228%0.281SS..Hα-helixtrans-64.5-37.8179.9-61.7-10.8000111.4R40 P52 S53 I59 N60R40-D56 IonicContact CZ-OD1 2.94Å; R40-D56 IonicContact NH1-OD1 3.8Å; R40-D56 PolarHBondContact NH1-OD1 2.78Å; R40-D56 IonicContact NH1-OD2 2.79Å; R40-D56 PolarHBondContact NH1-OD2 3.34Å; R40-D56 IonicContact NH2-OD1 3.66Å; R40-D56 PolarHBondContact NH2-OD1 2.8Å; P52-D56 PolarHBondContact O-N 2.86Å; S53-D56 PolarHBondContact O-N 3.38Å; D56-I59 PolarHBondContact O-N 3.41Å; D56-N60 WeakPolarHBondContact O-CB 3.34Å; D56-N60 PolarHBondContact O-N 2.9Å; D56-N60 PolarHBondContact O-ND2 2.9Å
57S93.4Very high91.9Very high70 Ų7060.2 Ų60.249%0.4930%0.297SS..Hα-helixtrans-65.7-40.7173.8-630000111.8S53 T54 V55 N60 S61S53-S57 WeakPolarHBondContact O-CB 3.29Å; S53-S57 PolarHBondContact O-N 2.79Å; S53-S57 PolarHBondContact O-OG 2.84Å; T54-S57 PolarHBondContact O-N 3.3Å; V55-S57 VanDerWaalsContact C-N 3.3Å; V55-S57 PolarHBondContact O-N 3.15Å; S57-N60 PolarHBondContact O-N 3.21Å; S57-S61 WeakPolarHBondContact O-CB 3.45Å; S57-S61 PolarHBondContact O-N 3.04Å; S57-S61 PolarHBondContact O-OG 2.92Å
58W94.6Very high92.5Very high13 Ų1364 Ų645%0.04932%0.316CS..Hα-helixtrans-61.6-48.3174.6167.474.4000111.7L29 L32 T54 V55 N60 S61 S62 V133 L224L29-W58 HydrophobicContact CD2-CH2 3.62Å; L29-W58 HydrophobicContact CD2-CZ2 4.22Å; L29-W58 HydrophobicContact CD2-CZ3 3.83Å; L32-W58 HydrophobicContact CD1-CH2 4.33Å; L32-W58 HydrophobicContact CD1-CZ3 3.76Å; T54-W58 WeakPolarHBondContact O-CB 3.49Å; T54-W58 PolarHBondContact O-N 2.7Å; V55-W58 HydrophobicContact CG1-CE3 4.33Å; V55-W58 WeakPolarHBondContact O-CB 3.27Å; V55-W58 PolarHBondContact O-N 3.03Å; V55-W58 VanDerWaalsContact O-N 3.17Å; W58-N60 VanDerWaalsContact C-N 3.34Å; W58-N60 PolarHBondContact O-N 2.67Å; W58-S61 PolarHBondContact O-N 2.85Å; W58-S61 VanDerWaalsContact O-N 3.08Å; W58-S62 WeakPolarHBondContact O-CB 3.18Å; W58-S62 PolarHBondContact O-N 2.92Å; W58-S62 PolarHBondContact O-OG 2.87Å; W58-V133 HydrophobicContact CD2-CG2 4.35Å; W58-V133 HydrophobicContact CE3-CB 4.17Å; W58-V133 HydrophobicContact CE3-CG2 4.04Å; W58-V133 HydrophobicContact CH2-CB 3.92Å; W58-V133 HydrophobicContact CH2-CG2 4.48Å; W58-V133 HydrophobicContact CZ2-CB 4.49Å; W58-V133 HydrophobicContact CZ3-CB 3.74Å; W58-V133 HydrophobicContact CZ3-CG1 4.24Å; W58-V133 HydrophobicContact CZ3-CG2 4.14Å; W58-L224 HydrophobicContact CB-CD1 3.46Å; W58-L224 VanDerWaalsContact CB-CD1 3.46Å; W58-L224 HydrophobicContact CD2-CD1 4.19Å; W58-L224 HydrophobicContact CG-CD1 3.56Å
59I95.1Very high92.8Very high2 Ų264 Ų641%0.0132%0.315CS..Hα-helixtrans-58.8-47.1177.8-62162.5000110.9L29 L32 E33 V55 D56 S61 S62 W63L29-I59 HydrophobicContact CB-CG2 4.26Å; L29-I59 HydrophobicContact CD2-CG1 4.34Å; L29-I59 HydrophobicContact CD2-CG2 4.24Å; L32-I59 HydrophobicContact CB-CD1 3.64Å; L32-I59 HydrophobicContact CB-CG1 4.45Å; E33-I59 HydrophobicContact CG-CD1 4.27Å; E33-I59 HydrophobicContact CG-CG2 3.54Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.31Å; V55-I59 HydrophobicContact CG1-CD1 3.95Å; V55-I59 HydrophobicContact CG1-CG1 4.34Å; V55-I59 WeakPolarHBondContact O-CG1 3.48Å; V55-I59 PolarHBondContact O-N 2.9Å; D56-I59 PolarHBondContact O-N 3.41Å; I59-S61 VanDerWaalsContact C-N 3.26Å; I59-S61 PolarHBondContact O-N 2.93Å; I59-S62 VanDerWaalsContact O-CB 3.31Å; I59-S62 WeakPolarHBondContact O-CB 3.26Å; I59-S62 PolarHBondContact O-N 3.47Å; I59-W63 PolarHBondContact O-N 2.97Å
60N95.4Very high93.3Very high82 Ų8255 Ų5544%0.43927%0.273SS..Hα-helixtrans-59.1-39.4176.7-79.9-58.5000112.3D56 S57 W58 R64D56-N60 WeakPolarHBondContact O-CB 3.34Å; D56-N60 PolarHBondContact O-N 2.9Å; D56-N60 PolarHBondContact O-ND2 2.9Å; S57-N60 PolarHBondContact O-N 3.21Å; W58-N60 VanDerWaalsContact C-N 3.34Å; W58-N60 PolarHBondContact O-N 2.67Å; N60-R64 WeakPolarHBondContact O-CB 3.48Å; N60-R64 VanDerWaalsContact O-CG 3.24Å; N60-R64 WeakPolarHBondContact O-CG 3.4Å; N60-R64 PolarHBondContact O-N 3.09Å
61S95.6Very high93.5Very high54 Ų5459 Ų5938%0.37828%0.284SS..Hα-helixtrans-71.5-39.3-180-57.60000111.4S57 W58 I59 R64 R65S57-S61 WeakPolarHBondContact O-CB 3.45Å; S57-S61 PolarHBondContact O-N 3.04Å; S57-S61 PolarHBondContact O-OG 2.92Å; W58-S61 PolarHBondContact O-N 2.85Å; W58-S61 VanDerWaalsContact O-N 3.08Å; I59-S61 VanDerWaalsContact C-N 3.26Å; I59-S61 PolarHBondContact O-N 2.93Å; S61-R64 PolarHBondContact O-N 2.9Å; S61-R65 WeakPolarHBondContact O-CB 3.42Å; S61-R65 PolarHBondContact O-N 3.27Å
62S95.6Very high93.4Very high7 Ų761.3 Ų61.35%0.04929%0.292CS..Hα-helixtrans-56-51.2172.2-88.90000111.9W58 I59 R64 R65 W66 E69W58-S62 WeakPolarHBondContact O-CB 3.18Å; W58-S62 PolarHBondContact O-N 2.92Å; W58-S62 PolarHBondContact O-OG 2.87Å; I59-S62 VanDerWaalsContact O-CB 3.31Å; I59-S62 WeakPolarHBondContact O-CB 3.26Å; I59-S62 PolarHBondContact O-N 3.47Å; S62-R64 PolarHBondContact O-N 3.44Å; S62-R65 CarbonylContact O-C 3.58Å; S62-R65 PolarHBondContact O-N 2.79Å; S62-W66 VanDerWaalsContact O-CA 3.29Å; S62-W66 WeakPolarHBondContact O-CA 3.31Å; S62-W66 PolarHBondContact O-N 3.45Å; S62-E69 WeakPolarHBondContact CA-OE2 3.4Å; S62-E69 WeakPolarHBondContact CB-OE2 3.13Å; S62-E69 VanDerWaalsContact OG-CD 3.23Å; S62-E69 PolarHBondContact OG-OE1 2.93Å; S62-E69 PolarHBondContact OG-OE2 2.79Å
63W96.7Very high93.5Very high75 Ų7559.7 Ų59.728%0.28428%0.282SS..Hα-helixtrans-62.5-42.6175.6-74.4129.6000113.2R26 L29 E33 I59 R65 W66R26-W63 HydrophobicContact CB-CH2 3.97Å; R26-W63 HydrophobicContact CG-CH2 3.89Å; R26-W63 HydrophobicContact CG-CZ3 4.05Å; L29-W63 HydrophobicContact CB-CH2 4.34Å; L29-W63 HydrophobicContact CB-CZ2 3.56Å; L29-W63 HydrophobicContact CD1-CD2 3.93Å; L29-W63 HydrophobicContact CD1-CE3 4.22Å; L29-W63 HydrophobicContact CD1-CG 4.46Å; L29-W63 HydrophobicContact CD1-CH2 4.32Å; L29-W63 HydrophobicContact CD1-CZ2 4.05Å; L29-W63 HydrophobicContact CD1-CZ3 4.39Å; L29-W63 HydrophobicContact CG-CZ2 4.47Å; E33-W63 VanDerWaalsContact CD-NE1 3.31Å; E33-W63 PolarHBondContact OE1-NE1 3.31Å; E33-W63 PolarHBondContact OE2-NE1 3.29Å; I59-W63 PolarHBondContact O-N 2.97Å; W63-R65 VanDerWaalsContact C-N 3.3Å; W63-R65 PolarHBondContact O-N 2.77Å; W63-W66 HydrophobicContact CE3-CE3 4.01Å; W63-W66 HydrophobicContact CE3-CZ3 4.31Å; W63-W66 HydrophobicContact CZ3-CE3 4.04Å; W63-W66 HydrophobicContact CZ3-CH2 4.38Å; W63-W66 AromaticContact CZ3-CZ3 3.99Å; W63-W66 HydrophobicContact CZ3-CZ3 3.99Å
64R97Very high93.5Very high214 Ų21461.3 Ų61.381%0.80828%0.278SS*.Hα-helixtrans-66.2-32179.4-75177.1-172.1-149.74.3113.1N60 S61 S62N60-R64 WeakPolarHBondContact O-CB 3.48Å; N60-R64 VanDerWaalsContact O-CG 3.24Å; N60-R64 WeakPolarHBondContact O-CG 3.4Å; N60-R64 PolarHBondContact O-N 3.09Å; S61-R64 PolarHBondContact O-N 2.9Å; S62-R64 PolarHBondContact O-N 3.44Å
65R95.1Very high93.3Very high138 Ų13867.2 Ų67.252%0.52130%0.298SS..THydrogen-bonded Turntrans-112.831.3-176.7-59.2178.269.798.60.1111.8S61 S62 W63 D67 E68 E69S61-R65 WeakPolarHBondContact O-CB 3.42Å; S61-R65 PolarHBondContact O-N 3.27Å; S62-R65 CarbonylContact O-C 3.58Å; S62-R65 PolarHBondContact O-N 2.79Å; W63-R65 VanDerWaalsContact C-N 3.3Å; W63-R65 PolarHBondContact O-N 2.77Å; R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 2.71Å; R65-E68 HydrophobicContact CB-CB 4.47Å; R65-E68 IonicContact CZ-OE1 3.92Å; R65-E68 IonicContact CZ-OE2 3.92Å; R65-E68 IonicContact NE-OE2 3.45Å; R65-E68 IonicContact NH2-OE1 2.74Å; R65-E68 PolarHBondContact NH2-OE1 3.48Å; R65-E68 IonicContact NH2-OE2 2.68Å; R65-E68 PolarHBondContact NH2-OE2 2.88Å; R65-E68 WeakPolarHBondContact O-CA 3.16Å; R65-E68 PolarHBondContact O-N 3.43Å; R65-E69 PolarHBondContact O-N 3.27Å
66W95.7Very high93Very high29 Ų2968.5 Ų68.511%0.1131%0.313CS..Hα-helixtrans-49-49.8-171.5-178.7-107.3000113.9E22 R25 R26 L29 S62 W63 E68 E69 M70E22-W66 HydrophobicContact CG-CH2 4.5Å; E22-W66 HydrophobicContact CG-CZ2 3.5Å; E22-W66 PolarHBondContact OE1-NE1 3.28Å; R25-W66 HydrophobicContact CB-CH2 3.88Å; R25-W66 HydrophobicContact CB-CZ3 4.49Å; R25-W66 HydrophobicContact CG-CH2 3.71Å; R25-W66 HydrophobicContact CG-CZ3 3.83Å; R26-W66 HydrophobicContact CB-CH2 4.37Å; R26-W66 HydrophobicContact CG-CH2 3.42Å; R26-W66 VanDerWaalsContact CG-CH2 3.42Å; R26-W66 HydrophobicContact CG-CZ2 3.5Å; R26-W66 HydrophobicContact CG-CZ3 4.36Å; L29-W66 HydrophobicContact CD1-CE3 4.29Å; L29-W66 HydrophobicContact CD1-CZ3 3.7Å; S62-W66 VanDerWaalsContact O-CA 3.29Å; S62-W66 WeakPolarHBondContact O-CA 3.31Å; S62-W66 PolarHBondContact O-N 3.45Å; W63-W66 HydrophobicContact CE3-CE3 4.01Å; W63-W66 HydrophobicContact CE3-CZ3 4.31Å; W63-W66 HydrophobicContact CZ3-CE3 4.04Å; W63-W66 HydrophobicContact CZ3-CH2 4.38Å; W63-W66 AromaticContact CZ3-CZ3 3.99Å; W63-W66 HydrophobicContact CZ3-CZ3 3.99Å; W66-E68 VanDerWaalsContact C-N 3.28Å; W66-E68 PolarHBondContact O-N 3.2Å; W66-E69 PolarHBondContact O-N 2.8Å; W66-M70 HydrophobicContact CD2-CG 4.03Å; W66-M70 HydrophobicContact CE3-CG 4.48Å; W66-M70 HydrophobicContact CH2-CG 4.28Å; W66-M70 HydrophobicContact CH2-SD 3.99Å; W66-M70 HydrophobicContact CZ2-CG 3.81Å; W66-M70 HydrophobicContact CZ2-SD 3.93Å; W66-M70 HydrophobicContact CZ3-SD 4.5Å; W66-M70 WeakPolarHBondContact O-CB 3.37Å; W66-M70 WeakPolarHBondContact O-CG 3.43Å; W66-M70 PolarHBondContact O-N 2.95Å
67D95.8Very high93Very high116 Ų11666.5 Ų66.562%0.6230%0.302SS*.Hα-helixtrans-63.9-35.8-178.3-66.9-20.5000112.2R65 R71R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 2.71Å; D67-R71 WeakPolarHBondContact O-CB 3.43Å; D67-R71 PolarHBondContact O-N 3.25Å; D67-R71 PolarHBondContact O-NH1 3.17Å
68E92.2Very high93Very high100 Ų10063.3 Ų63.347%0.46728%0.279SS..Hα-helixtrans-73.7-40.1177.4-162.6172.6140.900112.3R65 W66 R71 R72R65-E68 HydrophobicContact CB-CB 4.47Å; R65-E68 IonicContact CZ-OE1 3.92Å; R65-E68 IonicContact CZ-OE2 3.92Å; R65-E68 IonicContact NE-OE2 3.45Å; R65-E68 IonicContact NH2-OE1 2.74Å; R65-E68 PolarHBondContact NH2-OE1 3.48Å; R65-E68 IonicContact NH2-OE2 2.68Å; R65-E68 PolarHBondContact NH2-OE2 2.88Å; R65-E68 WeakPolarHBondContact O-CA 3.16Å; R65-E68 PolarHBondContact O-N 3.43Å; W66-E68 VanDerWaalsContact C-N 3.28Å; W66-E68 PolarHBondContact O-N 3.2Å; E68-R71 VanDerWaalsContact CA-NH1 3.32Å; E68-R71 PolarHBondContact O-N 2.84Å; E68-R72 WeakPolarHBondContact O-CB 3.35Å; E68-R72 PolarHBondContact O-N 2.79Å
69E91.7Very high92.8Very high10 Ų1063.8 Ų63.85%0.04729%0.286CS..Hα-helixtrans-60.6-53.1173.4177.9174.1-17700111.5R25 S62 R65 W66 R71 R72 L73R25-E69 IonicContact CZ-OE1 2.97Å; R25-E69 IonicContact NE-OE1 2.98Å; R25-E69 PolarHBondContact NE-OE1 2.82Å; R25-E69 IonicContact NH2-OE1 3.4Å; R25-E69 PolarHBondContact NH2-OE1 3.13Å; S62-E69 WeakPolarHBondContact CA-OE2 3.4Å; S62-E69 WeakPolarHBondContact CB-OE2 3.13Å; S62-E69 VanDerWaalsContact OG-CD 3.23Å; S62-E69 PolarHBondContact OG-OE1 2.93Å; S62-E69 PolarHBondContact OG-OE2 2.79Å; R65-E69 PolarHBondContact O-N 3.27Å; W66-E69 PolarHBondContact O-N 2.8Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.12Å; E69-R72 WeakPolarHBondContact O-CB 3.49Å; E69-R72 PolarHBondContact O-N 3.4Å; E69-R72 VanDerWaalsContact O-N 3.16Å; E69-L73 HydrophobicContact CG-CD1 3.99Å; E69-L73 HydrophobicContact CG-CG 4.43Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.15Å
70M93.8Very high92.7Very high12 Ų1264.5 Ų64.56%0.05929%0.289CS..Hα-helixtrans-62.9-38.2180-72.3-56-59.400111.6F21 E22 R25 W66 L73 R74F21-M70 HydrophobicContact CD1-CE 3.6Å; F21-M70 HydrophobicContact CE1-CE 3.59Å; F21-M70 HydrophobicContact CE1-SD 4.49Å; E22-M70 HydrophobicContact CB-CE 3.98Å; E22-M70 HydrophobicContact CG-CE 4.14Å; R25-M70 HydrophobicContact CB-SD 4.05Å; R25-M70 HydrophobicContact CG-SD 3.98Å; W66-M70 HydrophobicContact CD2-CG 4.03Å; W66-M70 HydrophobicContact CE3-CG 4.48Å; W66-M70 HydrophobicContact CH2-CG 4.28Å; W66-M70 HydrophobicContact CH2-SD 3.99Å; W66-M70 HydrophobicContact CZ2-CG 3.81Å; W66-M70 HydrophobicContact CZ2-SD 3.93Å; W66-M70 HydrophobicContact CZ3-SD 4.5Å; W66-M70 WeakPolarHBondContact O-CB 3.37Å; W66-M70 WeakPolarHBondContact O-CG 3.43Å; W66-M70 PolarHBondContact O-N 2.95Å; M70-L73 PolarHBondContact O-N 2.81Å; M70-L73 HydrophobicContact SD-CD1 4.41Å; M70-R74 WeakPolarHBondContact O-CB 3.36Å; M70-R74 VanDerWaalsContact O-CG 3.31Å; M70-R74 WeakPolarHBondContact O-CG 3.49Å; M70-R74 PolarHBondContact O-N 3.33Å
71R91.1Very high92.6Very high136 Ų13661.1 Ų61.151%0.51327%0.271SS..Hα-helixtrans-63.8-43.9174-171.8-175.5-53.896.99.4111.7D67 E68 E69 R74 R75D67-R71 WeakPolarHBondContact O-CB 3.43Å; D67-R71 PolarHBondContact O-N 3.25Å; D67-R71 PolarHBondContact O-NH1 3.17Å; E68-R71 VanDerWaalsContact CA-NH1 3.32Å; E68-R71 PolarHBondContact O-N 2.84Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.12Å; R71-R74 PolarHBondContact O-N 2.62Å; R71-R75 WeakPolarHBondContact O-CB 3.4Å; R71-R75 VanDerWaalsContact O-CG 3.31Å; R71-R75 WeakPolarHBondContact O-CG 3.46Å; R71-R75 PolarHBondContact O-N 3.2Å
72R87.7Confident92.4Very high58 Ų5860 Ų6022%0.21926%0.263CS..Hα-helixtrans-59.8-51.7175.9-177.5-174.967.7-176.9-1.7110.5E68 E69 R74 R75 G76 D129 S227E68-R72 WeakPolarHBondContact O-CB 3.35Å; E68-R72 PolarHBondContact O-N 2.79Å; E69-R72 WeakPolarHBondContact O-CB 3.49Å; E69-R72 PolarHBondContact O-N 3.4Å; E69-R72 VanDerWaalsContact O-N 3.16Å; R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 PolarHBondContact O-N 2.73Å; R72-R75 PolarHBondContact O-N 3.21Å; R72-G76 PolarHBondContact O-N 3.37Å; R72-D129 IonicContact NE-OD1 3.79Å; R72-S227 PolarHBondContact NH1-O 2.68Å
73L90.9Very high92.2Very high7 Ų761.1 Ų61.14%0.03727%0.268CS..Hα-helixtrans-60.8-41.7-179.6-68.1175000111.9F21 R25 E69 M70 G76 M77F21-L73 HydrophobicContact CE1-CB 3.99Å; F21-L73 HydrophobicContact CZ-CB 3.93Å; F21-L73 HydrophobicContact CZ-CD1 4.04Å; R25-L73 HydrophobicContact CG-CD1 4.4Å; E69-L73 HydrophobicContact CG-CD1 3.99Å; E69-L73 HydrophobicContact CG-CG 4.43Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 3.15Å; M70-L73 PolarHBondContact O-N 2.81Å; M70-L73 HydrophobicContact SD-CD1 4.41Å; L73-G76 PolarHBondContact O-N 3Å; L73-M77 WeakPolarHBondContact O-CG 3.43Å; L73-M77 PolarHBondContact O-N 3.21Å
74R90.7Very high91.9Very high96 Ų9662.7 Ų62.736%0.36228%0.282SS..Hα-helixtrans-66.6-41.4176.1-74-175.1-171.8-772.6112.4F21 M70 R71 R72 G76 M77 S119 D205F21-R74 HydrophobicContact CE1-CG 4.44Å; M70-R74 WeakPolarHBondContact O-CB 3.36Å; M70-R74 VanDerWaalsContact O-CG 3.31Å; M70-R74 WeakPolarHBondContact O-CG 3.49Å; M70-R74 PolarHBondContact O-N 3.33Å; R71-R74 PolarHBondContact O-N 2.62Å; R72-R74 VanDerWaalsContact C-N 3.34Å; R72-R74 PolarHBondContact O-N 2.73Å; R74-G76 PolarHBondContact O-N 3.36Å; R74-M77 HydrophobicContact CB-CE 4.45Å; R74-M77 HydrophobicContact CG-CE 3.91Å; R74-M77 HydrophobicContact CG-SD 4.48Å; R74-M77 WeakPolarHBondContact O-CB 3.42Å; R74-M77 WeakPolarHBondContact O-CG 3.29Å; R74-M77 PolarHBondContact O-N 2.92Å; R74-S119 WeakPolarHBondContact O-CB 3.47Å; R74-S119 PolarHBondContact O-OG 2.61Å; R74-D205 IonicContact NH1-OD2 3.66Å; R74-D205 IonicContact NH2-OD2 2.75Å
75R85.8Confident91.5Very high141 Ų14155.6 Ų55.653%0.53226%0.263SS..Hα-helixtrans-70-17.6176-73.1-17579.4-118.75.8114.3R71 R72 S119R71-R75 WeakPolarHBondContact O-CB 3.4Å; R71-R75 VanDerWaalsContact O-CG 3.31Å; R71-R75 WeakPolarHBondContact O-CG 3.46Å; R71-R75 PolarHBondContact O-N 3.2Å; R72-R75 PolarHBondContact O-N 3.21Å; R75-S119 WeakPolarHBondContact CA-OG 3.34Å; R75-S119 PolarHBondContact O-OG 2.81Å
76G87Confident91.2Very high30 Ų3050.3 Ų50.331%0.30924%0.243SC..THydrogen-bonded Turntrans-87.2-7.2174.500000114.3R72 L73 R74R72-G76 PolarHBondContact O-N 3.37Å; L73-G76 PolarHBondContact O-N 3Å; R74-G76 PolarHBondContact O-N 3.36Å
77M92.3Very high90.5Very high7 Ų754 Ų543%0.03427%0.27CS..PPolyproline II helixtrans-65.9138.4177.5-62.8175.9-179.500111F21 L73 R74 S119 G121 R144 D146 V207F21-M77 HydrophobicContact CD1-CE 3.41Å; F21-M77 VanDerWaalsContact CD1-CE 3.41Å; F21-M77 HydrophobicContact CE1-CE 3.34Å; F21-M77 HydrophobicContact CG-CE 4.05Å; F21-M77 HydrophobicContact CZ-CE 3.95Å; L73-M77 WeakPolarHBondContact O-CG 3.43Å; L73-M77 PolarHBondContact O-N 3.21Å; R74-M77 HydrophobicContact CB-CE 4.45Å; R74-M77 HydrophobicContact CG-CE 3.91Å; R74-M77 HydrophobicContact CG-SD 4.48Å; R74-M77 WeakPolarHBondContact O-CB 3.42Å; R74-M77 WeakPolarHBondContact O-CG 3.29Å; R74-M77 PolarHBondContact O-N 2.92Å; M77-S119 PolarHBondContact N-OG 2.88Å; M77-S119 VanDerWaalsContact N-OG 3.11Å; M77-S119 CarbonylContact O-C 3.56Å; M77-S119 WeakPolarHBondContact O-CB 3.42Å; M77-S119 PolarHBondContact O-OG 2.88Å; M77-G121 PolarHBondContact O-N 2.99Å; M77-R144 CarbonylContact C-O 3.52Å; M77-R144 WeakPolarHBondContact CA-O 3.45Å; M77-R144 HydrophobicContact CG-CB 3.83Å; M77-D146 HydrophobicContact CB-CB 4.48Å; M77-V207 HydrophobicContact CE-CB 4.37Å; M77-V207 HydrophobicContact CE-CG1 3.69Å; M77-V207 HydrophobicContact CE-CG2 3.69Å; M77-V207 HydrophobicContact SD-CG1 4.19Å; M77-V207 HydrophobicContact SD-CG2 4.02Å
78F92.8Very high89.7Confident2 Ų251.3 Ų51.31%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-80.7129.9171.5-65.9-79.1000110.8G121 V123 F126 V143 R144 F145 D146 R185 V187F78-G121 WeakPolarHBondContact CD1-O 3.26Å; F78-G121 WeakPolarHBondContact CE1-O 3.18Å; F78-V123 HydrophobicContact CE1-CG1 4.27Å; F78-F126 HydrophobicContact CE1-CB 4.35Å; F78-F126 HydrophobicContact CE1-CG 4.48Å; F78-F126 HydrophobicContact CE2-CB 4.17Å; F78-F126 HydrophobicContact CE2-CD2 4.07Å; F78-F126 HydrophobicContact CE2-CG 4.11Å; F78-F126 HydrophobicContact CZ-CB 3.59Å; F78-F126 AromaticContact CZ-CD1 3.83Å; F78-F126 HydrophobicContact CZ-CD1 3.83Å; F78-F126 AromaticContact CZ-CD2 3.87Å; F78-F126 HydrophobicContact CZ-CD2 3.87Å; F78-F126 HydrophobicContact CZ-CE1 4.47Å; F78-F126 HydrophobicContact CZ-CE2 4.5Å; F78-F126 AromaticContact CZ-CG 3.48Å; F78-F126 HydrophobicContact CZ-CG 3.48Å; F78-F126 VanDerWaalsContact CZ-CG 3.48Å; F78-V143 HydrophobicContact CE2-CB 4.32Å; F78-V143 HydrophobicContact CE2-CG1 4.36Å; F78-R144 WeakPolarHBondContact CD2-O 3.42Å; F78-R144 PolarHBondContact N-O 3.39Å; F78-F145 HydrophobicContact CB-CD1 3.62Å; F78-F145 HydrophobicContact CB-CE1 3.99Å; F78-F145 HydrophobicContact CB-CG 4.32Å; F78-F145 HydrophobicContact CD2-CD1 4.33Å; F78-F145 HydrophobicContact CD2-CE1 4.05Å; F78-F145 HydrophobicContact CD2-CZ 4.29Å; F78-F145 HydrophobicContact CG-CD1 4.34Å; F78-F145 HydrophobicContact CG-CE1 4.24Å; F78-F145 CarbonylContact O-C 3.59Å; F78-F145 WeakPolarHBondContact O-CA 3.42Å; F78-D146 PolarHBondContact O-N 3.47Å; F78-R185 HydrophobicContact CB-CG 3.85Å; F78-R185 HydrophobicContact CD1-CG 4.37Å; F78-R185 VanDerWaalsContact CD1-NE 3.34Å; F78-R185 HydrophobicContact CG-CG 4.27Å; F78-V187 HydrophobicContact CD1-CG2 4.39Å; F78-V187 HydrophobicContact CD2-CG2 3.89Å; F78-V187 HydrophobicContact CE1-CG2 4.1Å; F78-V187 HydrophobicContact CE2-CG1 4.16Å; F78-V187 HydrophobicContact CE2-CG2 3.6Å; F78-V187 HydrophobicContact CG-CG2 4.27Å; F78-V187 HydrophobicContact CZ-CG1 4.05Å; F78-V187 HydrophobicContact CZ-CG2 3.69Å
79A91.6Very high89Confident24 Ų2447.8 Ų47.820%0.19824%0.243CC..EExtended strand (participates in β ladder)trans-72.9144.6166.700000111.1L81 S119 R185A79-L81 HydrophobicContact CB-CD2 4.46Å; A79-S119 WeakPolarHBondContact CB-O 3.49Å; A79-S119 PolarHBondContact N-O 2.95Å; A79-R185 WeakPolarHBondContact O-CD 3.24Å
80L92.8Very high88.5Confident16 Ų1648.9 Ų48.98%0.08425%0.249CC..PPolyproline II helixtrans-80.1126.6163.9-55.4-177.1000109.3F145 A147 F150 V166 A168 F183 R185L80-F145 HydrophobicContact CD2-CB 4.45Å; L80-F145 HydrophobicContact CD2-CD1 4.15Å; L80-A147 HydrophobicContact CD1-CB 4.35Å; L80-F150 HydrophobicContact CD1-CD2 4.3Å; L80-F150 HydrophobicContact CD1-CE2 4.09Å; L80-V166 HydrophobicContact CD1-CG1 4.38Å; L80-V166 HydrophobicContact CD2-CB 4.06Å; L80-V166 HydrophobicContact CD2-CG1 3.67Å; L80-A168 HydrophobicContact CD1-CB 3.84Å; L80-F183 HydrophobicContact CB-CB 3.82Å; L80-R185 HydrophobicContact CD2-CB 3.7Å
81L92.2Very high87.9Confident11 Ų1156.3 Ų56.36%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-99.6140.9-175.6-58177.4000110.8A79 L83 F86 M101 I105 F183 C184A79-L81 HydrophobicContact CB-CD2 4.46Å; L81-L83 PolarHBondContact O-N 2.55Å; L81-F86 HydrophobicContact CB-CE2 3.68Å; L81-F86 HydrophobicContact CB-CZ 3.85Å; L81-F86 HydrophobicContact CD1-CE2 4.26Å; L81-F86 HydrophobicContact CD1-CZ 3.68Å; L81-F86 HydrophobicContact CG-CZ 4.39Å; L81-M101 HydrophobicContact CB-CE 4.1Å; L81-M101 HydrophobicContact CD1-CB 3.82Å; L81-M101 HydrophobicContact CD1-CE 3.92Å; L81-M101 HydrophobicContact CD1-CG 4.07Å; L81-M101 HydrophobicContact CG-CE 4.27Å; L81-I105 HydrophobicContact CD1-CD1 3.96Å; L81-I105 HydrophobicContact CD1-CG1 4.16Å; L81-F183 CarbonylContact O-C 3.51Å; L81-F183 WeakPolarHBondContact O-CA 3.41Å; L81-C184 PolarHBondContact N-O 3.03Å; L81-C184 PolarHBondContact O-N 3.3Å
82P92.4Very high87.5Confident30 Ų3056.9 Ų56.920%0.19530%0.297CS..EExtended strand (participates in β ladder)trans-60.7122.4177.2-18.329.5000111.2D84 T85 F86 F183P82-D84 WeakPolarHBondContact CB-OD1 3.43Å; P82-D84 PolarHBondContact O-N 3.09Å; P82-T85 VanDerWaalsContact O-CB 3.27Å; P82-T85 WeakPolarHBondContact O-CB 3.37Å; P82-T85 PolarHBondContact O-N 3.44Å; P82-T85 PolarHBondContact O-OG1 3.5Å; P82-F86 WeakPolarHBondContact O-CE2 3.47Å; P82-F183 HydrophobicContact CB-CD1 4.36Å; P82-F183 HydrophobicContact CB-CE1 4.25Å; P82-F183 HydrophobicContact CG-CD1 4.08Å; P82-F183 HydrophobicContact CG-CE1 3.78Å
83L91.5Very high87.4Confident31 Ų3157 Ų5716%0.16230%0.302CS..G310 helixtrans-66.3-26.9-173.9-167.765000112.2L81 T85 F86 I90 L97 E182 C184L81-L83 PolarHBondContact O-N 2.55Å; L83-T85 PolarHBondContact O-N 2.84Å; L83-T85 VanDerWaalsContact O-N 3.16Å; L83-F86 PolarHBondContact O-N 3.44Å; L83-F86 VanDerWaalsContact O-N 3.17Å; L83-I90 HydrophobicContact CD1-CG1 4.06Å; L83-I90 HydrophobicContact CD2-CD1 4.13Å; L83-I90 HydrophobicContact CD2-CG1 4.21Å; L83-L97 HydrophobicContact CD1-CD2 3.97Å; L83-E182 HydrophobicContact CB-CB 4.24Å; L83-E182 PolarHBondContact N-O 3.46Å; L83-C184 HydrophobicContact CD1-CB 4.03Å
84D90.1Very high87.2Confident108 Ų10857.8 Ų57.858%0.57831%0.307SS*.G310 helixtrans-66.4-8.5174.564.7-17000114.3P82 F86 R181P82-D84 WeakPolarHBondContact CB-OD1 3.43Å; P82-D84 PolarHBondContact O-N 3.09Å; D84-F86 VanDerWaalsContact C-N 3.34Å; D84-R181 VanDerWaalsContact CG-NH2 3.31Å; D84-R181 IonicContact OD1-CZ 3.16Å; D84-R181 IonicContact OD1-NE 3.14Å; D84-R181 IonicContact OD1-NH2 2.83Å; D84-R181 PolarHBondContact OD1-NH2 3.07Å; D84-R181 IonicContact OD2-CZ 3.66Å; D84-R181 VanDerWaalsContact OD2-CZ 3.28Å; D84-R181 IonicContact OD2-NE 3.73Å; D84-R181 IonicContact OD2-NH2 2.7Å; D84-R181 PolarHBondContact OD2-NH2 3.34Å
85T88Confident86.9Confident66 Ų6656.7 Ų56.741%0.40531%0.305SS..G310 helixtrans-80-17.1174.4-54.80000112.4P82 L83P82-T85 VanDerWaalsContact O-CB 3.27Å; P82-T85 WeakPolarHBondContact O-CB 3.37Å; P82-T85 PolarHBondContact O-N 3.44Å; P82-T85 PolarHBondContact O-OG1 3.5Å; L83-T85 PolarHBondContact O-N 2.84Å; L83-T85 VanDerWaalsContact O-N 3.16Å
86F88.6Confident87Confident26 Ų2650.4 Ų50.411%0.11428%0.283CS..  trans-113.5152.9-171.7-51.1-69.9000112.5L81 P82 L83 D84 L97 Q100 M101 H104L81-F86 HydrophobicContact CB-CE2 3.68Å; L81-F86 HydrophobicContact CB-CZ 3.85Å; L81-F86 HydrophobicContact CD1-CE2 4.26Å; L81-F86 HydrophobicContact CD1-CZ 3.68Å; L81-F86 HydrophobicContact CG-CZ 4.39Å; P82-F86 WeakPolarHBondContact O-CE2 3.47Å; L83-F86 PolarHBondContact O-N 3.44Å; L83-F86 VanDerWaalsContact O-N 3.17Å; D84-F86 VanDerWaalsContact C-N 3.34Å; F86-L97 HydrophobicContact CB-CD1 3.41Å; F86-L97 VanDerWaalsContact CB-CD1 3.41Å; F86-L97 HydrophobicContact CD1-CD1 4.3Å; F86-L97 HydrophobicContact CD2-CD1 3.84Å; F86-L97 HydrophobicContact CG-CD1 3.57Å; F86-Q100 HydrophobicContact CD1-CB 3.92Å; F86-M101 HydrophobicContact CD1-CG 4.29Å; F86-M101 HydrophobicContact CD2-CG 4.26Å; F86-M101 HydrophobicContact CE1-CB 4.34Å; F86-M101 HydrophobicContact CE1-CG 3.89Å; F86-M101 HydrophobicContact CE2-CE 4.45Å; F86-M101 HydrophobicContact CE2-CG 3.87Å; F86-M101 HydrophobicContact CG-CG 4.47Å; F86-M101 HydrophobicContact CZ-CB 4.26Å; F86-M101 HydrophobicContact CZ-CG 3.67Å; F86-H104 HydrophobicContact CE1-CB 3.88Å; F86-H104 HydrophobicContact CZ-CB 4.42Å
87T81.6Confident87.1Confident108 Ų10849 Ų4966%0.66327%0.269SS*.SBendtrans-88.4-14-17764.20000113.4Q100T87-Q100 PolarHBondContact OG1-NE2 2.96Å; T87-Q100 PolarHBondContact OG1-OE1 3.41Å
88H79.2Confident86.9Confident59 Ų5948.9 Ų48.927%0.27327%0.268SS..SBendtrans-109.8134.2-178.8-6388.8000110.2L97 Q100H88-L97 HydrophobicContact CB-CB 4.1Å; H88-Q100 PolarHBondContact ND1-OE1 3.24Å
89G77.2Confident86.5Confident25 Ų2551.2 Ų51.226%0.25828%0.279SS..  trans-72.8160.4168.600000112.4L91 E92G89-L91 VanDerWaalsContact C-N 3.25Å; G89-L91 PolarHBondContact O-N 2.84Å; G89-E92 PolarHBondContact N-OE2 2.84Å; G89-E92 PolarHBondContact O-N 2.78Å
90I80.4Confident86.5Confident34 Ų3451.7 Ų51.717%0.17428%0.277CS..THydrogen-bonded Turntrans-55-41177.9-61.7173000111.8L83 L97 T165 H167 C184L83-I90 HydrophobicContact CD1-CG1 4.06Å; L83-I90 HydrophobicContact CD2-CD1 4.13Å; L83-I90 HydrophobicContact CD2-CG1 4.21Å; I90-L97 HydrophobicContact CG1-CD2 4.07Å; I90-T165 HydrophobicContact CD1-CG2 4.44Å; I90-T165 HydrophobicContact CG2-CG2 3.95Å; I90-H167 HydrophobicContact CD1-CB 4.33Å; I90-C184 HydrophobicContact CD1-CB 4.17Å
91L81.6Confident86.3Confident167 Ų16751 Ų5187%0.87427%0.273SS*.THydrogen-bonded Turntrans-87.8-19-175-60.3178.4000113.8G89G89-L91 VanDerWaalsContact C-N 3.25Å; G89-L91 PolarHBondContact O-N 2.84Å
92E82.4Confident86Confident149 Ų14952 Ų5270%0.69628%0.279SS*.THydrogen-bonded Turntrans-79.6-54-172.6-66.3178.5156.900111.8G89G89-E92 PolarHBondContact N-OE2 2.84Å; G89-E92 PolarHBondContact O-N 2.78Å
93N86.5Confident85.7Confident60 Ų6058.7 Ų58.732%0.32130%0.3SS..  trans-151.581.5177.8-167.4-25.4000109.8F95 A96 L97N93-F95 PolarHBondContact O-N 3.49Å; N93-A96 HydrophobicContact CB-CB 3.93Å; N93-A96 PolarHBondContact O-N 2.9Å; N93-A96 WeakPolarHBondContact OD1-CB 3.22Å; N93-A96 PolarHBondContact OD1-N 2.81Å; N93-L97 PolarHBondContact O-N 3.48Å
94P85.8Confident85.5Confident23 Ų2359.8 Ų59.815%0.14930%0.304CS..Hα-helixtrans-61.1-33-173.722.7-33.3000112.4L97 M98 R163 M186P94-L97 PolarHBondContact O-N 2.96Å; P94-M98 VanDerWaalsContact O-CG 3.25Å; P94-M98 WeakPolarHBondContact O-CG 3.31Å; P94-M98 PolarHBondContact O-N 2.76Å; P94-R163 VanDerWaalsContact CB-CZ 3.46Å; P94-M186 HydrophobicContact CB-CE 4.45Å; P94-M186 HydrophobicContact CB-SD 3.91Å
95F85.5Confident85.2Confident74 Ų7454.8 Ų54.833%0.32528%0.278SS..Hα-helixtrans-71-41.8178.4-61-50.1000112.5N93 L97 M98 H99 R163 H350N93-F95 PolarHBondContact O-N 3.49Å; F95-L97 VanDerWaalsContact C-N 3.32Å; F95-M98 PolarHBondContact O-N 2.88Å; F95-H99 PolarHBondContact O-CD2 3.08Å; F95-H99 PolarHBondContact O-N 2.85Å; F95-R163 VanDerWaalsContact CE1-NH1 3.27Å; F95-H350 HydrophobicContact CB-CB 4.1Å; F95-H350 HydrophobicContact CD1-CB 4.21Å; F95-H350 AromaticContact CD1-CD2 2.89Å; F95-H350 WeakPolarHBondContact CD1-CD2 3.46Å; F95-H350 AromaticContact CD1-CE1 3.91Å; F95-H350 AromaticContact CD1-CG 3.53Å; F95-H350 AromaticContact CD1-NE2 3.15Å; F95-H350 WeakPolarHBondContact CD1-NE2 3.32Å; F95-H350 AromaticContact CE1-CD2 3.08Å; F95-H350 WeakPolarHBondContact CE1-CD2 3.38Å; F95-H350 AromaticContact CE1-NE2 3.15Å; F95-H350 WeakPolarHBondContact CE1-NE2 3.39Å; F95-H350 HydrophobicContact CG-CB 4.31Å; F95-H350 AromaticContact CG-CD2 3.74Å
96A87.1Confident84.9Confident9 Ų955.2 Ų55.27%0.07428%0.275CS..Hα-helixtrans-64.6-38.8172.900000111.5N93 H99 Q100N93-A96 HydrophobicContact CB-CB 3.93Å; N93-A96 PolarHBondContact O-N 2.9Å; N93-A96 WeakPolarHBondContact OD1-CB 3.22Å; N93-A96 PolarHBondContact OD1-N 2.81Å; A96-H99 PolarHBondContact O-N 2.98Å; A96-Q100 WeakPolarHBondContact O-CG 3.46Å; A96-Q100 PolarHBondContact O-N 3.45Å
97L89.1Confident84.8Confident0 Ų056.6 Ų56.60%028%0.283CS..Hα-helixtrans-62.4-48.3174.6177.454.4000111.1L83 F86 H88 I90 N93 P94 F95 H99 Q100 M101 M186L83-L97 HydrophobicContact CD1-CD2 3.97Å; F86-L97 HydrophobicContact CB-CD1 3.41Å; F86-L97 VanDerWaalsContact CB-CD1 3.41Å; F86-L97 HydrophobicContact CD1-CD1 4.3Å; F86-L97 HydrophobicContact CD2-CD1 3.84Å; F86-L97 HydrophobicContact CG-CD1 3.57Å; H88-L97 HydrophobicContact CB-CB 4.1Å; I90-L97 HydrophobicContact CG1-CD2 4.07Å; N93-L97 PolarHBondContact O-N 3.48Å; P94-L97 PolarHBondContact O-N 2.96Å; F95-L97 VanDerWaalsContact C-N 3.32Å; L97-H99 VanDerWaalsContact C-N 3.34Å; L97-H99 PolarHBondContact O-N 3.01Å; L97-Q100 WeakPolarHBondContact O-CB 3.38Å; L97-Q100 PolarHBondContact O-N 3.33Å; L97-Q100 VanDerWaalsContact O-N 3.08Å; L97-M101 HydrophobicContact CD1-CG 4.04Å; L97-M101 HydrophobicContact CD1-SD 4.18Å; L97-M101 HydrophobicContact CG-CG 4.39Å; L97-M101 HydrophobicContact CG-SD 3.98Å; L97-M101 WeakPolarHBondContact O-CG 3.09Å; L97-M101 PolarHBondContact O-N 2.78Å; L97-M186 HydrophobicContact CB-CE 3.81Å; L97-M186 HydrophobicContact CD2-CE 3.28Å; L97-M186 HydrophobicContact CG-CE 3.44Å; L97-M186 VanDerWaalsContact CG-CE 3.44Å
98M87.9Confident84.8Confident5 Ų553.4 Ų53.43%0.02526%0.262CS..Hα-helixtrans-54.1-49.9174.7-73.9176.274.400111.7P94 F95 Q100 M101 D102 R163 M186 Q188P94-M98 VanDerWaalsContact O-CG 3.25Å; P94-M98 WeakPolarHBondContact O-CG 3.31Å; P94-M98 PolarHBondContact O-N 2.76Å; F95-M98 PolarHBondContact O-N 2.88Å; M98-Q100 VanDerWaalsContact C-N 3.3Å; M98-Q100 PolarHBondContact O-N 3Å; M98-M101 WeakPolarHBondContact O-CB 3.38Å; M98-M101 PolarHBondContact O-N 2.94Å; M98-M101 VanDerWaalsContact O-N 3.08Å; M98-D102 VanDerWaalsContact O-CG 3.25Å; M98-D102 PolarHBondContact O-N 2.86Å; M98-D102 VanDerWaalsContact O-OD2 3.06Å; M98-R163 WeakPolarHBondContact SD-CD 3.42Å; M98-R163 HydrophobicContact SD-CG 4.36Å; M98-M186 HydrophobicContact CE-CB 4.4Å; M98-M186 HydrophobicContact CG-CB 3.56Å; M98-M186 HydrophobicContact CG-CE 3.99Å; M98-M186 HydrophobicContact CG-CG 4.46Å; M98-M186 HydrophobicContact CG-SD 4.19Å; M98-M186 HydrophobicContact SD-CB 3.96Å; M98-Q188 HydrophobicContact CE-CB 4.25Å
99H86Confident84.8Confident51 Ų5153.9 Ų53.924%0.23626%0.262CS..Hα-helixtrans-58.8-37.4175.9-87.8-62.3000113.6F95 A96 L97 R103 H350F95-H99 PolarHBondContact O-CD2 3.08Å; F95-H99 PolarHBondContact O-N 2.85Å; A96-H99 PolarHBondContact O-N 2.98Å; L97-H99 VanDerWaalsContact C-N 3.34Å; L97-H99 PolarHBondContact O-N 3.01Å; H99-R103 WeakPolarHBondContact O-CG 3.28Å; H99-R103 PolarHBondContact O-N 2.98Å; H99-R103 VanDerWaalsContact O-N 3.11Å; H99-H350 PolarHBondContact NE2-O 3.29Å
100Q90.5Very high85Confident34 Ų3459 Ų5916%0.15928%0.279CS..Hα-helixtrans-67.2-42.5174.1-77.4-175.4-43.500111.9F86 T87 H88 A96 L97 M98 D102 R103 H104F86-Q100 HydrophobicContact CD1-CB 3.92Å; T87-Q100 PolarHBondContact OG1-NE2 2.96Å; T87-Q100 PolarHBondContact OG1-OE1 3.41Å; H88-Q100 PolarHBondContact ND1-OE1 3.24Å; A96-Q100 WeakPolarHBondContact O-CG 3.46Å; A96-Q100 PolarHBondContact O-N 3.45Å; L97-Q100 WeakPolarHBondContact O-CB 3.38Å; L97-Q100 PolarHBondContact O-N 3.33Å; L97-Q100 VanDerWaalsContact O-N 3.08Å; M98-Q100 VanDerWaalsContact C-N 3.3Å; M98-Q100 PolarHBondContact O-N 3Å; Q100-D102 VanDerWaalsContact C-N 3.32Å; Q100-D102 PolarHBondContact O-N 3.18Å; Q100-R103 PolarHBondContact O-N 3.44Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.02Å
101M89.3Confident85.1Confident1 Ų166.4 Ų66.41%0.00531%0.305CS..Hα-helixtrans-61.6-41177.2-64.9170.594.700111.6L81 F86 L97 M98 H104 I105 C184 M186L81-M101 HydrophobicContact CB-CE 4.1Å; L81-M101 HydrophobicContact CD1-CB 3.82Å; L81-M101 HydrophobicContact CD1-CE 3.92Å; L81-M101 HydrophobicContact CD1-CG 4.07Å; L81-M101 HydrophobicContact CG-CE 4.27Å; F86-M101 HydrophobicContact CD1-CG 4.29Å; F86-M101 HydrophobicContact CD2-CG 4.26Å; F86-M101 HydrophobicContact CE1-CB 4.34Å; F86-M101 HydrophobicContact CE1-CG 3.89Å; F86-M101 HydrophobicContact CE2-CE 4.45Å; F86-M101 HydrophobicContact CE2-CG 3.87Å; F86-M101 HydrophobicContact CG-CG 4.47Å; F86-M101 HydrophobicContact CZ-CB 4.26Å; F86-M101 HydrophobicContact CZ-CG 3.67Å; L97-M101 HydrophobicContact CD1-CG 4.04Å; L97-M101 HydrophobicContact CD1-SD 4.18Å; L97-M101 HydrophobicContact CG-CG 4.39Å; L97-M101 HydrophobicContact CG-SD 3.98Å; L97-M101 WeakPolarHBondContact O-CG 3.09Å; L97-M101 PolarHBondContact O-N 2.78Å; M98-M101 WeakPolarHBondContact O-CB 3.38Å; M98-M101 PolarHBondContact O-N 2.94Å; M98-M101 VanDerWaalsContact O-N 3.08Å; M101-H104 PolarHBondContact O-N 3.17Å; M101-I105 WeakPolarHBondContact O-CG1 3.39Å; M101-I105 PolarHBondContact O-N 2.92Å; M101-C184 HydrophobicContact CE-CB 4.43Å; M101-C184 WeakPolarHBondContact CE-O 3.36Å; M101-M186 HydrophobicContact SD-CE 4.26Å
102D84.5Confident84.7Confident31 Ų3162.7 Ų62.717%0.16628%0.284CS..Hα-helixtrans-69.5-43.1179.9-63.3-35.3000112.2M98 Q100 H104 I105 Q106 V123 R185M98-D102 VanDerWaalsContact O-CG 3.25Å; M98-D102 PolarHBondContact O-N 2.86Å; M98-D102 VanDerWaalsContact O-OD2 3.06Å; Q100-D102 VanDerWaalsContact C-N 3.32Å; Q100-D102 PolarHBondContact O-N 3.18Å; D102-H104 VanDerWaalsContact C-N 3.28Å; D102-H104 PolarHBondContact O-N 3.39Å; D102-I105 PolarHBondContact O-N 3.35Å; D102-Q106 WeakPolarHBondContact O-CB 3.43Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-V123 HydrophobicContact CB-CG2 4.35Å; D102-V123 WeakPolarHBondContact OD1-CG1 3.47Å; D102-V123 VanDerWaalsContact OD1-CG2 3.31Å; D102-V123 WeakPolarHBondContact OD1-CG2 3.49Å; D102-V123 WeakPolarHBondContact OD2-CG2 3.41Å; D102-R185 IonicContact OD1-NH1 3.34Å; D102-R185 IonicContact OD1-NH2 3.41Å
103R86.2Confident83.8Confident171 Ų17157.3 Ų57.365%0.64527%0.268SS*.Hα-helixtrans-60.8-39.5172-74.3-168-63150.2-4.3112H99 Q100 Q106 D107H99-R103 WeakPolarHBondContact O-CG 3.28Å; H99-R103 PolarHBondContact O-N 2.98Å; H99-R103 VanDerWaalsContact O-N 3.11Å; Q100-R103 PolarHBondContact O-N 3.44Å; R103-Q106 PolarHBondContact O-N 2.81Å; R103-D107 WeakPolarHBondContact O-CB 3.17Å; R103-D107 PolarHBondContact O-N 2.72Å
104H87.7Confident82.4Confident55 Ų5558.5 Ų58.526%0.25528%0.281SS..Hα-helixtrans-64.3-44.1178.3-175.760.9000112F86 Q100 M101 D102 Q106 D107 I108F86-H104 HydrophobicContact CE1-CB 3.88Å; F86-H104 HydrophobicContact CZ-CB 4.42Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.02Å; M101-H104 PolarHBondContact O-N 3.17Å; D102-H104 VanDerWaalsContact C-N 3.28Å; D102-H104 PolarHBondContact O-N 3.39Å; H104-Q106 VanDerWaalsContact C-N 3.33Å; H104-Q106 PolarHBondContact O-N 2.88Å; H104-D107 PolarHBondContact O-N 3.49Å; H104-I108 WeakPolarHBondContact NE2-CD1 3.37Å; H104-I108 WeakPolarHBondContact O-CG1 3.41Å; H104-I108 PolarHBondContact O-N 3.23Å
105I84Confident80.8Confident3 Ų365.5 Ų65.52%0.01531%0.314CS..Hα-helixtrans-62.2-42174.4-78.4161.7000111.7L81 M101 D102 I108 R109 T120L81-I105 HydrophobicContact CD1-CD1 3.96Å; L81-I105 HydrophobicContact CD1-CG1 4.16Å; M101-I105 WeakPolarHBondContact O-CG1 3.39Å; M101-I105 PolarHBondContact O-N 2.92Å; D102-I105 PolarHBondContact O-N 3.35Å; I105-I108 PolarHBondContact O-N 2.9Å; I105-R109 WeakPolarHBondContact O-CB 3.47Å; I105-R109 PolarHBondContact O-N 3.49Å; I105-T120 VanDerWaalsContact CD1-O 3.24Å; I105-T120 WeakPolarHBondContact CD1-O 3.33Å; I105-T120 HydrophobicContact CG1-CG2 4.07Å; I105-T120 HydrophobicContact CG2-CG2 4.26Å
106Q82.1Confident79Confident75 Ų7568.3 Ų68.335%0.3533%0.332SS..Hα-helixtrans-63.9-42.4179.2-175.758.324.700111.4D102 R103 H104 R109 E110D102-Q106 WeakPolarHBondContact O-CB 3.43Å; D102-Q106 PolarHBondContact O-N 3.07Å; R103-Q106 PolarHBondContact O-N 2.81Å; H104-Q106 VanDerWaalsContact C-N 3.33Å; H104-Q106 PolarHBondContact O-N 2.88Å; Q106-R109 WeakPolarHBondContact O-CB 3.44Å; Q106-R109 PolarHBondContact O-N 2.98Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.34Å; Q106-E110 PolarHBondContact NE2-OE1 3.43Å; Q106-E110 WeakPolarHBondContact O-CG 3.13Å; Q106-E110 PolarHBondContact O-N 3.46Å
107D85.6Confident77.3Confident54 Ų5468.8 Ų68.829%0.28933%0.334SS..Hα-helixtrans-62.4-42.9173.9178.850000111.8R103 H104 R109 E110 R111R103-D107 WeakPolarHBondContact O-CB 3.17Å; R103-D107 PolarHBondContact O-N 2.72Å; H104-D107 PolarHBondContact O-N 3.49Å; D107-R109 VanDerWaalsContact C-N 3.3Å; D107-R109 PolarHBondContact O-N 3.07Å; D107-E110 PolarHBondContact O-N 2.97Å; D107-R111 VanDerWaalsContact CG-NE 3.31Å; D107-R111 WeakPolarHBondContact O-CB 3.25Å; D107-R111 VanDerWaalsContact O-CG 3.28Å; D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 3.27Å; D107-R111 IonicContact OD1-CZ 3.28Å; D107-R111 IonicContact OD1-NE 3.53Å; D107-R111 PolarHBondContact OD1-NE 2.98Å; D107-R111 IonicContact OD1-NH2 2.85Å; D107-R111 PolarHBondContact OD1-NH2 3.01Å; D107-R111 IonicContact OD2-CZ 3.45Å; D107-R111 IonicContact OD2-NE 2.86Å; D107-R111 PolarHBondContact OD2-NE 2.94Å; D107-R111 VanDerWaalsContact OD2-NE 3.14Å; D107-R111 IonicContact OD2-NH2 3.18Å; D107-R111 PolarHBondContact OD2-NH2 2.86Å
108I82.6Confident75.4Confident42 Ų4273 Ų7322%0.21536%0.362CS..Hα-helixtrans-57.8-45.2173.3-71.5168.4000110.7H104 I105 R111 M112 V117H104-I108 WeakPolarHBondContact NE2-CD1 3.37Å; H104-I108 WeakPolarHBondContact O-CG1 3.41Å; H104-I108 PolarHBondContact O-N 3.23Å; I105-I108 PolarHBondContact O-N 2.9Å; I108-R111 PolarHBondContact O-N 3.4Å; I108-M112 HydrophobicContact CG2-CE 3.41Å; I108-M112 VanDerWaalsContact CG2-CE 3.41Å; I108-M112 HydrophobicContact CG2-SD 4.45Å; I108-M112 PolarHBondContact O-N 2.96Å; I108-V117 HydrophobicContact CG2-CG1 4.06Å
109R78.2Confident73.8Confident69 Ų6973.8 Ų73.826%0.2637%0.368SS..Hα-helixtrans-63.4-42.4179.7173-177-82.5178.6-6.9111.9I105 Q106 D107 R111 G113 V117 D125I105-R109 WeakPolarHBondContact O-CB 3.47Å; I105-R109 PolarHBondContact O-N 3.49Å; Q106-R109 WeakPolarHBondContact O-CB 3.44Å; Q106-R109 PolarHBondContact O-N 2.98Å; D107-R109 VanDerWaalsContact C-N 3.3Å; D107-R109 PolarHBondContact O-N 3.07Å; R109-R111 VanDerWaalsContact C-N 3.34Å; R109-G113 PolarHBondContact O-N 3.29Å; R109-V117 HydrophobicContact CB-CG2 4.14Å; R109-V117 HydrophobicContact CG-CG2 4.13Å; R109-D125 IonicContact NH1-OD2 3.74Å
110E82.3Confident72.5Confident133 Ų13372 Ų7262%0.62136%0.361SS*.Hα-helixtrans-65.5-37.9178.1-74.7171.6-167.100111.8Q106 D107Q106-E110 WeakPolarHBondContact CG-OE1 3.34Å; Q106-E110 PolarHBondContact NE2-OE1 3.43Å; Q106-E110 WeakPolarHBondContact O-CG 3.13Å; Q106-E110 PolarHBondContact O-N 3.46Å; D107-E110 PolarHBondContact O-N 2.97Å
111R83.2Confident70.9Confident189 Ų18970.8 Ų70.871%0.71336%0.356SS*.Hα-helixtrans-74.5-40.1179.3-69.6177.6-168.3-156.88.1114.1D107 I108 R109D107-R111 VanDerWaalsContact CG-NE 3.31Å; D107-R111 WeakPolarHBondContact O-CB 3.25Å; D107-R111 VanDerWaalsContact O-CG 3.28Å; D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 3.27Å; D107-R111 IonicContact OD1-CZ 3.28Å; D107-R111 IonicContact OD1-NE 3.53Å; D107-R111 PolarHBondContact OD1-NE 2.98Å; D107-R111 IonicContact OD1-NH2 2.85Å; D107-R111 PolarHBondContact OD1-NH2 3.01Å; D107-R111 IonicContact OD2-CZ 3.45Å; D107-R111 IonicContact OD2-NE 2.86Å; D107-R111 PolarHBondContact OD2-NE 2.94Å; D107-R111 VanDerWaalsContact OD2-NE 3.14Å; D107-R111 IonicContact OD2-NH2 3.18Å; D107-R111 PolarHBondContact OD2-NH2 2.86Å; I108-R111 PolarHBondContact O-N 3.4Å; R109-R111 VanDerWaalsContact C-N 3.34Å
112M72Confident69.6Low89 Ų8971.8 Ų71.844%0.43836%0.364SS..Hα-helixtrans-88.9-7.2-174.4-64.1-160.1-54.800113.9I108 V117 P118I108-M112 HydrophobicContact CG2-CE 3.41Å; I108-M112 VanDerWaalsContact CG2-CE 3.41Å; I108-M112 HydrophobicContact CG2-SD 4.45Å; I108-M112 PolarHBondContact O-N 2.96Å; M112-V117 HydrophobicContact CB-CG2 4.37Å; M112-V117 HydrophobicContact CE-CB 4.38Å; M112-V117 HydrophobicContact CE-CG1 3.92Å; M112-P118 HydrophobicContact CE-CG 4.34Å
113G64.2Low68.4Low36 Ų3671.6 Ų71.637%0.37136%0.363SS..  trans74.4140.5-174.700000111.9R109 M115 D116 V117R109-G113 PolarHBondContact O-N 3.29Å; G113-M115 PolarHBondContact O-N 3.38Å; G113-D116 PolarHBondContact O-N 3.34Å; G113-V117 WeakPolarHBondContact O-CG2 3.36Å
114S57.4Low67.2Low84 Ų8465 Ų6559%0.58734%0.344SS*.THydrogen-bonded Turntrans-57.4-17.8-165.4-159.40000116.2
115M51.6Low66.6Low170 Ų17064.5 Ų64.584%0.83734%0.343SS*.THydrogen-bonded Turntrans-88.5-29.8-174.8-67.1-17668.100114.2G113G113-M115 PolarHBondContact O-N 3.38Å
116D47Very low66.6Low134 Ų13465.4 Ų65.472%0.71735%0.347SS*.THydrogen-bonded Turntrans-1096.3-169.4-66.3-36.4000114.1G113 P118G113-D116 PolarHBondContact O-N 3.34Å; D116-P118 VanDerWaalsContact O-CD 3.24Å; D116-P118 WeakPolarHBondContact O-CD 3.46Å
117V51.2Low66.8Low18 Ų1862.2 Ų62.211%0.10933%0.332CS..  trans-69.2118.8179.6-161.60000109.7I108 R109 M112 G113 T120I108-V117 HydrophobicContact CG2-CG1 4.06Å; R109-V117 HydrophobicContact CB-CG2 4.14Å; R109-V117 HydrophobicContact CG-CG2 4.13Å; M112-V117 HydrophobicContact CB-CG2 4.37Å; M112-V117 HydrophobicContact CE-CB 4.38Å; M112-V117 HydrophobicContact CE-CG1 3.92Å; G113-V117 WeakPolarHBondContact O-CG2 3.36Å; V117-T120 HydrophobicContact CG1-CG2 4.12Å
118P49.8Very low66.7Low89 Ų8962 Ų6258%0.57833%0.329SS*.  trans-53.1150.1167.5-20.531.7000109.3M112 D116 T120M112-P118 HydrophobicContact CE-CG 4.34Å; D116-P118 VanDerWaalsContact O-CD 3.24Å; D116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-T120 WeakPolarHBondContact O-CG2 3.48Å; P118-T120 PolarHBondContact O-N 2.88Å; P118-T120 PolarHBondContact O-OG1 3.26Å
119S54.6Low67Low22 Ų2261.5 Ų61.515%0.15433%0.327CS..  trans-49.598.5-173.6-151.60000112.6R74 R75 M77 A79R74-S119 WeakPolarHBondContact O-CB 3.47Å; R74-S119 PolarHBondContact O-OG 2.61Å; R75-S119 WeakPolarHBondContact CA-OG 3.34Å; R75-S119 PolarHBondContact O-OG 2.81Å; M77-S119 PolarHBondContact N-OG 2.88Å; M77-S119 VanDerWaalsContact N-OG 3.11Å; M77-S119 CarbonylContact O-C 3.56Å; M77-S119 WeakPolarHBondContact O-CB 3.42Å; M77-S119 PolarHBondContact O-OG 2.88Å; A79-S119 WeakPolarHBondContact CB-O 3.49Å; A79-S119 PolarHBondContact N-O 2.95Å
120T57.6Low67.6Low14 Ų1458.3 Ų58.39%0.08632%0.315CS..  trans-102.7-4.8-176.837.90000112.6I105 V117 P118I105-T120 VanDerWaalsContact CD1-O 3.24Å; I105-T120 WeakPolarHBondContact CD1-O 3.33Å; I105-T120 HydrophobicContact CG1-CG2 4.07Å; I105-T120 HydrophobicContact CG2-CG2 4.26Å; V117-T120 HydrophobicContact CG1-CG2 4.12Å; P118-T120 WeakPolarHBondContact O-CG2 3.48Å; P118-T120 PolarHBondContact O-N 2.88Å; P118-T120 PolarHBondContact O-OG1 3.26Å
121G57Low68.2Low7 Ų752.1 Ų52.17%0.07229%0.286CS..  trans42.883.5175.700000113.3M77 F78 V123 R185M77-G121 PolarHBondContact O-N 2.99Å; F78-G121 WeakPolarHBondContact CD1-O 3.26Å; F78-G121 WeakPolarHBondContact CE1-O 3.18Å; G121-V123 PolarHBondContact O-N 2.72Å; G121-R185 PolarHBondContact O-NH2 3.12Å
122S63Low68.7Low23 Ų2343.6 Ų43.616%0.16125%0.254CS..  trans-59.8128.1173.9169.20000109.8S124 D125 F126S122-S124 PolarHBondContact O-N 2.98Å; S122-S124 VanDerWaalsContact O-N 3.15Å; S122-S124 PolarHBondContact OG-N 2.98Å; S122-D125 WeakPolarHBondContact CB-OD2 3.47Å; S122-D125 PolarHBondContact O-N 2.82Å; S122-D125 VanDerWaalsContact O-N 3.07Å; S122-D125 PolarHBondContact OG-OD2 2.68Å; S122-F126 PolarHBondContact O-N 3.01Å
123V58.3Low69.7Low26 Ų2639.4 Ų39.416%0.15823%0.233CC..THydrogen-bonded Turntrans-64.2-18.6-179.9-62.80000113.2F78 D102 G121 F126F78-V123 HydrophobicContact CE1-CG1 4.27Å; D102-V123 HydrophobicContact CB-CG2 4.35Å; D102-V123 WeakPolarHBondContact OD1-CG1 3.47Å; D102-V123 VanDerWaalsContact OD1-CG2 3.31Å; D102-V123 WeakPolarHBondContact OD1-CG2 3.49Å; D102-V123 WeakPolarHBondContact OD2-CG2 3.41Å; G121-V123 PolarHBondContact O-N 2.72Å; V123-F126 WeakPolarHBondContact O-CD1 3.22Å; V123-F126 WeakPolarHBondContact O-CE1 3.44Å
124S62.9Low71Confident34 Ų3437.7 Ų37.724%0.23822%0.216CC..THydrogen-bonded Turntrans-85.4-19.8178-55.60000112.2S122 T325 Q349S122-S124 PolarHBondContact O-N 2.98Å; S122-S124 VanDerWaalsContact O-N 3.15Å; S122-S124 PolarHBondContact OG-N 2.98Å; S124-T325 PolarHBondContact O-OG1 2.9Å; S124-Q349 PolarHBondContact OG-NE2 3.24Å
125D74.8Confident72.6Confident43 Ų4339.6 Ų39.623%0.2322%0.216CC..THydrogen-bonded Turntrans-106.9-15.9-170.2-65.1-35.2000113.7R109 S122 L127 K128 S290R109-D125 IonicContact NH1-OD2 3.74Å; S122-D125 WeakPolarHBondContact CB-OD2 3.47Å; S122-D125 PolarHBondContact O-N 2.82Å; S122-D125 VanDerWaalsContact O-N 3.07Å; S122-D125 PolarHBondContact OG-OD2 2.68Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.44Å; D125-K128 WeakPolarHBondContact O-CG 3.33Å; D125-S290 WeakPolarHBondContact CA-OG 3.36Å; D125-S290 VanDerWaalsContact CB-OG 3.29Å; D125-S290 WeakPolarHBondContact CB-OG 3.35Å; D125-S290 VanDerWaalsContact CG-OG 3.26Å; D125-S290 WeakPolarHBondContact OD1-CB 3.31Å; D125-S290 PolarHBondContact OD1-OG 3.05Å
126F83.6Confident74.3Confident22 Ų2234.4 Ų34.410%0.09619%0.192CC..G310 helixtrans-69-28.1-169.981.8-80.3000113.7F78 S122 V123 K128 D129 A130 F141 V143 V187 Q188F78-F126 HydrophobicContact CE1-CB 4.35Å; F78-F126 HydrophobicContact CE1-CG 4.48Å; F78-F126 HydrophobicContact CE2-CB 4.17Å; F78-F126 HydrophobicContact CE2-CD2 4.07Å; F78-F126 HydrophobicContact CE2-CG 4.11Å; F78-F126 HydrophobicContact CZ-CB 3.59Å; F78-F126 AromaticContact CZ-CD1 3.83Å; F78-F126 HydrophobicContact CZ-CD1 3.83Å; F78-F126 AromaticContact CZ-CD2 3.87Å; F78-F126 HydrophobicContact CZ-CD2 3.87Å; F78-F126 HydrophobicContact CZ-CE1 4.47Å; F78-F126 HydrophobicContact CZ-CE2 4.5Å; F78-F126 AromaticContact CZ-CG 3.48Å; F78-F126 HydrophobicContact CZ-CG 3.48Å; F78-F126 VanDerWaalsContact CZ-CG 3.48Å; S122-F126 PolarHBondContact O-N 3.01Å; V123-F126 WeakPolarHBondContact O-CD1 3.22Å; V123-F126 WeakPolarHBondContact O-CE1 3.44Å; F126-K128 PolarHBondContact O-N 3.45Å; F126-D129 PolarHBondContact O-N 3.4Å; F126-D129 VanDerWaalsContact O-N 3.12Å; F126-A130 HydrophobicContact CD2-CB 3.9Å; F126-A130 HydrophobicContact CE2-CB 4.21Å; F126-A130 WeakPolarHBondContact O-CB 3.48Å; F126-A130 PolarHBondContact O-N 2.84Å; F126-F141 HydrophobicContact CE2-CE2 4Å; F126-F141 HydrophobicContact CE2-CZ 4.04Å; F126-V143 HydrophobicContact CD2-CG1 3.73Å; F126-V143 HydrophobicContact CE2-CG1 3.73Å; F126-V187 HydrophobicContact CD2-CG1 4.43Å; F126-V187 HydrophobicContact CE1-CG1 4.09Å; F126-V187 HydrophobicContact CE2-CG1 3.7Å; F126-V187 HydrophobicContact CZ-CG1 3.5Å; F126-Q188 WeakPolarHBondContact CZ-O 3.5Å
127L86.6Confident76.3Confident9 Ų928.6 Ų28.65%0.04716%0.163CC..G310 helixtrans-62-28.9-171.8-71.6-175.2000114.1D125 D129 A130 Y131 F141 P190 T325D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.44Å; L127-D129 PolarHBondContact O-N 3.37Å; L127-A130 HydrophobicContact CD2-CB 4.4Å; L127-A130 PolarHBondContact O-N 3.05Å; L127-Y131 WeakPolarHBondContact O-CD2 3.41Å; L127-F141 HydrophobicContact CD2-CE2 4.25Å; L127-P190 HydrophobicContact CD1-CG 4.28Å; L127-P190 HydrophobicContact CD2-CG 3.36Å; L127-T325 HydrophobicContact CD1-CG2 3.6Å; L127-T325 HydrophobicContact CG-CG2 4.34Å
128K83.9Confident78.1Confident50 Ų5031.6 Ų31.622%0.21718%0.175CC..G310 helixtrans-64-28.8178.974.2-173.7178.4-172.30113.7D125 F126 D289 S290D125-K128 WeakPolarHBondContact O-CG 3.33Å; F126-K128 PolarHBondContact O-N 3.45Å; K128-D289 WeakPolarHBondContact CD-OD1 3.38Å; K128-D289 WeakPolarHBondContact CE-OD1 3.43Å; K128-D289 IonicContact NZ-OD1 4Å; K128-D289 PolarHBondContact NZ-OD1 3.33Å; K128-S290 PolarHBondContact NZ-OG 2.88Å
129D87.3Confident80.2Confident31 Ų3127.4 Ų27.417%0.16615%0.148CC..THydrogen-bonded Turntrans-109.9-1.3-178.7-62.6-40.8000111.5R72 F126 L127 Y131 Q229R72-D129 IonicContact NE-OD1 3.79Å; F126-D129 PolarHBondContact O-N 3.4Å; F126-D129 VanDerWaalsContact O-N 3.12Å; L127-D129 PolarHBondContact O-N 3.37Å; D129-Y131 VanDerWaalsContact C-N 3.32Å; D129-Q229 PolarHBondContact OD1-NE2 2.86Å
130A92.2Very high82.1Confident2 Ų227.7 Ų27.72%0.01715%0.146CC..SBendtrans-80.4-12.5179.600000113.1F126 L127 F141 K142 V143F126-A130 HydrophobicContact CD2-CB 3.9Å; F126-A130 HydrophobicContact CE2-CB 4.21Å; F126-A130 WeakPolarHBondContact O-CB 3.48Å; F126-A130 PolarHBondContact O-N 2.84Å; L127-A130 HydrophobicContact CD2-CB 4.4Å; L127-A130 PolarHBondContact O-N 3.05Å; A130-F141 HydrophobicContact CB-CD2 3.96Å; A130-F141 HydrophobicContact CB-CE2 3.76Å; A130-F141 CarbonylContact O-C 3.45Å; A130-F141 VanDerWaalsContact O-CA 3.28Å; A130-F141 WeakPolarHBondContact O-CA 3.36Å; A130-K142 WeakPolarHBondContact CA-O 3.13Å; A130-K142 PolarHBondContact O-N 3.44Å; A130-V143 HydrophobicContact CB-CG1 4.18Å
131Y93.7Very high83.9Confident2 Ų227 Ų271%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-109.4120.7177.7-61.8-72000110.8L127 D129 V139 H140 F141 P190 S192 I193 V214 D327 P328 L329L127-Y131 WeakPolarHBondContact O-CD2 3.41Å; D129-Y131 VanDerWaalsContact C-N 3.32Å; Y131-V139 HydrophobicContact CD1-CG1 4.25Å; Y131-H140 WeakPolarHBondContact CA-O 3.29Å; Y131-F141 HydrophobicContact CD1-CB 4.38Å; Y131-F141 HydrophobicContact CD1-CD2 4.41Å; Y131-F141 HydrophobicContact CE1-CB 4.17Å; Y131-F141 AromaticContact CE1-CD2 3.9Å; Y131-F141 HydrophobicContact CE1-CD2 3.9Å; Y131-P190 VanDerWaalsContact OH-CB 3.29Å; Y131-P190 WeakPolarHBondContact OH-CB 3.41Å; Y131-P190 VanDerWaalsContact OH-CG 3.31Å; Y131-P190 WeakPolarHBondContact OH-CG 3.32Å; Y131-S192 PolarHBondContact OH-OG 2.97Å; Y131-I193 HydrophobicContact CE1-CG2 4.27Å; Y131-V214 HydrophobicContact CD1-CG1 3.87Å; Y131-V214 HydrophobicContact CE1-CG1 3.77Å; Y131-D327 VanDerWaalsContact CE2-OD1 3.31Å; Y131-D327 WeakPolarHBondContact CE2-OD1 3.37Å; Y131-D327 VanDerWaalsContact CZ-OD1 3.26Å; Y131-D327 VanDerWaalsContact OH-CG 3.28Å; Y131-D327 PolarHBondContact OH-OD1 3.04Å; Y131-D327 PolarHBondContact OH-OD2 2.9Å; Y131-P328 HydrophobicContact CD2-CB 4.24Å; Y131-P328 HydrophobicContact CD2-CG 3.97Å; Y131-P328 HydrophobicContact CE2-CB 4.33Å; Y131-P328 HydrophobicContact CE2-CG 3.96Å; Y131-L329 HydrophobicContact CD1-CD1 3.58Å; Y131-L329 HydrophobicContact CD1-CG 4.04Å; Y131-L329 HydrophobicContact CD2-CG 4.41Å; Y131-L329 HydrophobicContact CE1-CD1 3.36Å; Y131-L329 HydrophobicContact CE1-CG 3.85Å; Y131-L329 HydrophobicContact CE2-CG 4.24Å; Y131-L329 HydrophobicContact CG-CD1 4.3Å; Y131-L329 HydrophobicContact CG-CG 4.29Å
132E93.2Very high85.8Confident10 Ų1027 Ų275%0.04714%0.14CC..EExtended strand (participates in β ladder)trans-146161.2-173.6-61.2-176.7-103.800111.4R25 G134 V139 H140 K142 R144R25-E132 IonicContact CZ-OE2 3.85Å; R25-E132 IonicContact NH1-OE2 3.92Å; R25-E132 PolarHBondContact NH1-OE2 3.24Å; R25-E132 IonicContact NH2-OE2 3.51Å; R25-E132 PolarHBondContact NH2-OE2 2.95Å; E132-G134 PolarHBondContact O-N 3.25Å; E132-V139 CarbonylContact O-C 3.4Å; E132-V139 WeakPolarHBondContact O-CA 3.48Å; E132-H140 PolarHBondContact N-O 2.83Å; E132-H140 PolarHBondContact O-N 3.42Å; E132-K142 HydrophobicContact CB-CD 4.44Å; E132-R144 IonicContact OE1-CZ 3.43Å; E132-R144 IonicContact OE1-NH1 2.93Å; E132-R144 PolarHBondContact OE1-NH1 3.08Å; E132-R144 IonicContact OE1-NH2 3.41Å; E132-R144 PolarHBondContact OE1-NH2 2.73Å; E132-R144 IonicContact OE2-NH2 2.7Å
133V93Very high87.3Confident1 Ų126.1 Ų26.11%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-68.4128.3174.9-173.80000110.2L32 W51 V55 W58 K138 K142 L224L32-V133 HydrophobicContact CD1-CG1 3.94Å; W51-V133 HydrophobicContact CH2-CG2 4.25Å; W51-V133 HydrophobicContact CZ2-CG2 4.1Å; V55-V133 HydrophobicContact CG1-CG1 4.34Å; V55-V133 HydrophobicContact CG2-CG1 4.5Å; V55-V133 HydrophobicContact CG2-CG2 4.39Å; W58-V133 HydrophobicContact CD2-CG2 4.35Å; W58-V133 HydrophobicContact CE3-CB 4.17Å; W58-V133 HydrophobicContact CE3-CG2 4.04Å; W58-V133 HydrophobicContact CH2-CB 3.92Å; W58-V133 HydrophobicContact CH2-CG2 4.48Å; W58-V133 HydrophobicContact CZ2-CB 4.49Å; W58-V133 HydrophobicContact CZ3-CB 3.74Å; W58-V133 HydrophobicContact CZ3-CG1 4.24Å; W58-V133 HydrophobicContact CZ3-CG2 4.14Å; V133-K138 CarbonylContact C-O 3.51Å; V133-K138 WeakPolarHBondContact CA-O 3.48Å; V133-K142 PolarHBondContact O-NZ 2.8Å; V133-L224 HydrophobicContact CG2-CD1 4.02Å
134G92.5Very high89.1Confident1 Ų125.6 Ų25.61%0.0113%0.129CC..  trans-84.9174.9174.500000112.7E132 D136 G137 K138E132-G134 PolarHBondContact O-N 3.25Å; G134-D136 PolarHBondContact O-N 3.18Å; G134-G137 PolarHBondContact O-N 3.34Å; G134-K138 PolarHBondContact N-O 3.1Å
135E90.8Very high90.7Very high124 Ų12424 Ų2458%0.57912%0.118SC*.THydrogen-bonded Turntrans-62.9-21.1179-65.4173.8-169.500112.6L28 G137 R201L28-E135 HydrophobicContact CD1-CB 4.35Å; L28-E135 HydrophobicContact CD1-CG 3.65Å; E135-G137 VanDerWaalsContact C-N 3.31Å; E135-R201 IonicContact OE1-NH1 2.77Å; E135-R201 IonicContact OE1-NH2 4Å
136D88.1Confident91.7Very high61 Ų6125 Ų2533%0.32612%0.123SC..THydrogen-bonded Turntrans-851.4175.664.2-3.6000113.8G134 K138 H140G134-D136 PolarHBondContact O-N 3.18Å; D136-K138 VanDerWaalsContact C-N 3.25Å; D136-K138 PolarHBondContact O-N 2.7Å; D136-K138 WeakPolarHBondContact OD1-CB 3.13Å; D136-K138 PolarHBondContact OD1-N 3.21Å; D136-H140 VanDerWaalsContact CG-NE2 3.25Å; D136-H140 IonicContact OD1-CD2 2.91Å; D136-H140 PolarHBondContact OD1-CD2 3.26Å; D136-H140 IonicContact OD1-NE2 3.22Å; D136-H140 PolarHBondContact OD1-NE2 3.32Å; D136-H140 IonicContact OD2-CD2 3.82Å; D136-H140 IonicContact OD2-CE1 2.69Å; D136-H140 IonicContact OD2-NE2 2.85Å; D136-H140 PolarHBondContact OD2-NE2 3.33Å
137G88.5Confident92.3Very high12 Ų1224 Ų2412%0.12412%0.119CC..SBendtrans74.99.3-177.400000114.6W51 G134 E135W51-G137 PolarHBondContact NE1-O 3.4Å; G134-G137 PolarHBondContact O-N 3.34Å; E135-G137 VanDerWaalsContact C-N 3.31Å
138K90Very high92.7Very high80 Ų8030.4 Ų30.435%0.34815%0.149SC..SBendtrans-102.1166.6176.5-58.8-173.9179175.90110.7P46 V133 G134 D136 H140P46-K138 HydrophobicContact CG-CG 4.24Å; V133-K138 CarbonylContact C-O 3.51Å; V133-K138 WeakPolarHBondContact CA-O 3.48Å; G134-K138 PolarHBondContact N-O 3.1Å; D136-K138 VanDerWaalsContact C-N 3.25Å; D136-K138 PolarHBondContact O-N 2.7Å; D136-K138 WeakPolarHBondContact OD1-CB 3.13Å; D136-K138 PolarHBondContact OD1-N 3.21Å; K138-H140 PolarHBondContact O-CD2 2.97Å
139V92.9Very high93Very high2 Ų230.4 Ų30.41%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-72136.8171.81760000109.1Y47 W51 Y131 E132 V214 L222 V230Y47-V139 HydrophobicContact CE2-CB 4.25Å; Y47-V139 HydrophobicContact CE2-CG2 3.76Å; Y47-V139 PolarHBondContact OH-N 3.43Å; W51-V139 HydrophobicContact CH2-CG2 3.82Å; W51-V139 HydrophobicContact CZ2-CG2 4.16Å; Y131-V139 HydrophobicContact CD1-CG1 4.25Å; E132-V139 CarbonylContact O-C 3.4Å; E132-V139 WeakPolarHBondContact O-CA 3.48Å; V139-V214 HydrophobicContact CB-CG2 4.04Å; V139-V214 HydrophobicContact CG1-CG1 4.47Å; V139-V214 HydrophobicContact CG1-CG2 4.03Å; V139-V214 VanDerWaalsContact O-CG2 3.25Å; V139-V214 WeakPolarHBondContact O-CG2 3.33Å; V139-L222 HydrophobicContact CB-CD1 4.32Å; V139-L222 HydrophobicContact CG2-CD1 4.07Å; V139-V230 HydrophobicContact CG1-CG2 3.89Å; V139-V230 HydrophobicContact CG2-CG2 3.87Å
140H94.5Very high93.3Very high27 Ų2730.2 Ų30.213%0.12516%0.161CC..EExtended strand (participates in β ladder)trans-129.4150.4173.3-78.7-116.4000109.1Y131 E132 D136 K138 K142Y131-H140 WeakPolarHBondContact CA-O 3.29Å; E132-H140 PolarHBondContact N-O 2.83Å; E132-H140 PolarHBondContact O-N 3.42Å; D136-H140 VanDerWaalsContact CG-NE2 3.25Å; D136-H140 IonicContact OD1-CD2 2.91Å; D136-H140 PolarHBondContact OD1-CD2 3.26Å; D136-H140 IonicContact OD1-NE2 3.22Å; D136-H140 PolarHBondContact OD1-NE2 3.32Å; D136-H140 IonicContact OD2-CD2 3.82Å; D136-H140 IonicContact OD2-CE1 2.69Å; D136-H140 IonicContact OD2-NE2 2.85Å; D136-H140 PolarHBondContact OD2-NE2 3.33Å; K138-H140 PolarHBondContact O-CD2 2.97Å; H140-K142 HydrophobicContact CB-CG 4.45Å
141F95.9Very high93.4Very high0 Ų031.4 Ų31.40%017%0.171CC..EExtended strand (participates in β ladder)trans-79.9129.2165.8176.9-101.8000109F126 L127 A130 Y131 V143 L189 P190 I193 E211 A212 V214F126-F141 HydrophobicContact CE2-CE2 4Å; F126-F141 HydrophobicContact CE2-CZ 4.04Å; L127-F141 HydrophobicContact CD2-CE2 4.25Å; A130-F141 HydrophobicContact CB-CD2 3.96Å; A130-F141 HydrophobicContact CB-CE2 3.76Å; A130-F141 CarbonylContact O-C 3.45Å; A130-F141 VanDerWaalsContact O-CA 3.28Å; A130-F141 WeakPolarHBondContact O-CA 3.36Å; Y131-F141 HydrophobicContact CD1-CB 4.38Å; Y131-F141 HydrophobicContact CD1-CD2 4.41Å; Y131-F141 HydrophobicContact CE1-CB 4.17Å; Y131-F141 AromaticContact CE1-CD2 3.9Å; Y131-F141 HydrophobicContact CE1-CD2 3.9Å; F141-V143 HydrophobicContact CE1-CB 4.45Å; F141-V143 HydrophobicContact CE1-CG1 3.79Å; F141-V143 HydrophobicContact CE1-CG2 3.9Å; F141-V143 HydrophobicContact CE2-CG1 3.91Å; F141-V143 HydrophobicContact CZ-CB 4.43Å; F141-V143 HydrophobicContact CZ-CG1 3.36Å; F141-V143 HydrophobicContact CZ-CG2 4.25Å; F141-L189 HydrophobicContact CE1-CD2 3.93Å; F141-L189 HydrophobicContact CZ-CD2 4.17Å; F141-P190 HydrophobicContact CE2-CG 4.08Å; F141-I193 HydrophobicContact CB-CB 4.23Å; F141-I193 HydrophobicContact CB-CG2 3.56Å; F141-I193 HydrophobicContact CD1-CD1 3.78Å; F141-I193 HydrophobicContact CD1-CG2 4.24Å; F141-I193 HydrophobicContact CD2-CG2 3.8Å; F141-I193 HydrophobicContact CE1-CD1 3.93Å; F141-I193 HydrophobicContact CE2-CG2 4.49Å; F141-I193 HydrophobicContact CG-CB 4.46Å; F141-I193 HydrophobicContact CG-CD1 4.24Å; F141-I193 HydrophobicContact CG-CG2 3.62Å; F141-E211 CarbonylContact O-C 3.58Å; F141-E211 WeakPolarHBondContact O-CA 3.38Å; F141-E211 WeakPolarHBondContact O-CB 3.25Å; F141-A212 PolarHBondContact N-O 3.15Å; F141-A212 PolarHBondContact O-N 3.45Å; F141-V214 HydrophobicContact CB-CG1 4.23Å
142K96.2Very high93.4Very high6 Ų632.3 Ų32.33%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-140116-179.4-66.5-173.1177.8175.70110.3A130 E132 V133 H140 M209 L210 E211A130-K142 WeakPolarHBondContact CA-O 3.13Å; A130-K142 PolarHBondContact O-N 3.44Å; E132-K142 HydrophobicContact CB-CD 4.44Å; V133-K142 PolarHBondContact O-NZ 2.8Å; H140-K142 HydrophobicContact CB-CG 4.45Å; K142-M209 HydrophobicContact CD-SD 4.44Å; K142-L210 WeakPolarHBondContact CA-O 2.89Å; K142-E211 WeakPolarHBondContact CE-OE2 3.43Å; K142-E211 HydrophobicContact CG-CB 3.98Å
143V95.4Very high93.4Very high6 Ų639.2 Ų39.24%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-119.3146.1171.9-67.40000110.4F78 F126 A130 F141 F145 M209 L210F78-V143 HydrophobicContact CE2-CB 4.32Å; F78-V143 HydrophobicContact CE2-CG1 4.36Å; F126-V143 HydrophobicContact CD2-CG1 3.73Å; F126-V143 HydrophobicContact CE2-CG1 3.73Å; A130-V143 HydrophobicContact CB-CG1 4.18Å; F141-V143 HydrophobicContact CE1-CB 4.45Å; F141-V143 HydrophobicContact CE1-CG1 3.79Å; F141-V143 HydrophobicContact CE1-CG2 3.9Å; F141-V143 HydrophobicContact CE2-CG1 3.91Å; F141-V143 HydrophobicContact CZ-CB 4.43Å; F141-V143 HydrophobicContact CZ-CG1 3.36Å; F141-V143 HydrophobicContact CZ-CG2 4.25Å; V143-F145 HydrophobicContact CG2-CE2 3.99Å; V143-F145 HydrophobicContact CG2-CZ 4.4Å; V143-M209 WeakPolarHBondContact O-CA 3.45Å; V143-L210 HydrophobicContact CG2-CB 3.83Å; V143-L210 PolarHBondContact N-O 3.35Å; V143-L210 PolarHBondContact O-N 3.23Å
144R96.2Very high93.5Very high14 Ų1442.1 Ų42.15%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-127.5141.7-172.4-63.1167-175.584.2-3.2109.8F21 M77 F78 E132 V207 L208 M209F21-R144 VanDerWaalsContact CE2-NE 3.25Å; F21-R144 VanDerWaalsContact CZ-NE 3.31Å; M77-R144 CarbonylContact C-O 3.52Å; M77-R144 WeakPolarHBondContact CA-O 3.45Å; M77-R144 HydrophobicContact CG-CB 3.83Å; F78-R144 WeakPolarHBondContact CD2-O 3.42Å; F78-R144 PolarHBondContact N-O 3.39Å; E132-R144 IonicContact OE1-CZ 3.43Å; E132-R144 IonicContact OE1-NH1 2.93Å; E132-R144 PolarHBondContact OE1-NH1 3.08Å; E132-R144 IonicContact OE1-NH2 3.41Å; E132-R144 PolarHBondContact OE1-NH2 2.73Å; E132-R144 IonicContact OE2-NH2 2.7Å; R144-V207 HydrophobicContact CB-CG1 4.14Å; R144-V207 HydrophobicContact CG-CG1 4.33Å; R144-L208 CarbonylContact C-O 3.57Å; R144-L208 VanDerWaalsContact CA-O 3.31Å; R144-L208 WeakPolarHBondContact CA-O 3.4Å; R144-M209 HydrophobicContact CG-CB 4.45Å; R144-M209 HydrophobicContact CG-CE 4.09Å; R144-M209 HydrophobicContact CG-CG 4.2Å
145F96.1Very high93.8Very high0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-122.3136.8175.7-52.9-104.3000108.5F78 L80 V143 A147 V166 R185 V187 L208 L210F78-F145 HydrophobicContact CB-CD1 3.62Å; F78-F145 HydrophobicContact CB-CE1 3.99Å; F78-F145 HydrophobicContact CB-CG 4.32Å; F78-F145 HydrophobicContact CD2-CD1 4.33Å; F78-F145 HydrophobicContact CD2-CE1 4.05Å; F78-F145 HydrophobicContact CD2-CZ 4.29Å; F78-F145 HydrophobicContact CG-CD1 4.34Å; F78-F145 HydrophobicContact CG-CE1 4.24Å; F78-F145 CarbonylContact O-C 3.59Å; F78-F145 WeakPolarHBondContact O-CA 3.42Å; L80-F145 HydrophobicContact CD2-CB 4.45Å; L80-F145 HydrophobicContact CD2-CD1 4.15Å; V143-F145 HydrophobicContact CG2-CE2 3.99Å; V143-F145 HydrophobicContact CG2-CZ 4.4Å; F145-A147 PolarHBondContact O-N 3.44Å; F145-V166 HydrophobicContact CD1-CB 4.31Å; F145-V166 HydrophobicContact CD1-CG2 3.95Å; F145-V166 HydrophobicContact CD2-CG2 4.06Å; F145-V166 HydrophobicContact CE1-CB 4.26Å; F145-V166 HydrophobicContact CE1-CG2 3.64Å; F145-V166 HydrophobicContact CE2-CG2 3.78Å; F145-V166 HydrophobicContact CG-CG2 4.16Å; F145-V166 HydrophobicContact CZ-CG2 3.56Å; F145-R185 HydrophobicContact CD1-CB 3.92Å; F145-R185 HydrophobicContact CD1-CG 3.99Å; F145-R185 HydrophobicContact CE1-CB 3.87Å; F145-R185 HydrophobicContact CE1-CG 3.75Å; F145-V187 HydrophobicContact CE1-CG2 3.77Å; F145-V187 HydrophobicContact CZ-CG2 3.74Å; F145-L208 HydrophobicContact CB-CB 4.21Å; F145-L208 HydrophobicContact CD2-CD2 4.23Å; F145-L208 PolarHBondContact N-O 3.13Å; F145-L208 PolarHBondContact O-N 2.95Å; F145-L210 HydrophobicContact CD2-CD1 4.27Å; F145-L210 HydrophobicContact CE2-CD1 3.72Å
146D95.4Very high94.1Very high65 Ų6540.4 Ų40.435%0.34822%0.219SC..EExtended strand (participates in β ladder)trans-75.7103.8165.8-173.1-7.5000107.9M77 F78 Q148M77-D146 HydrophobicContact CB-CB 4.48Å; F78-D146 PolarHBondContact O-N 3.47Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.31Å; D146-Q148 PolarHBondContact OD1-N 2.91Å; D146-Q148 VanDerWaalsContact OD1-N 3.08Å
147A96.1Very high94.5Very high0 Ų037.5 Ų37.50%020%0.203CC..  trans-115.727.817800000110.5L80 F145 G149 F150 I155 M202 G206 L208L80-A147 HydrophobicContact CD1-CB 4.35Å; F145-A147 PolarHBondContact O-N 3.44Å; A147-G149 PolarHBondContact O-N 3.35Å; A147-F150 HydrophobicContact CB-CD2 4.47Å; A147-F150 PolarHBondContact O-N 2.87Å; A147-I155 HydrophobicContact CB-CD1 3.81Å; A147-M202 HydrophobicContact CB-CE 3.95Å; A147-M202 WeakPolarHBondContact O-CE 3.44Å; A147-G206 CarbonylContact C-O 3.44Å; A147-G206 VanDerWaalsContact CA-O 3.27Å; A147-G206 WeakPolarHBondContact CA-O 3.31Å; A147-G206 WeakPolarHBondContact CB-O 3.22Å; A147-G206 PolarHBondContact N-O 2.72Å; A147-L208 HydrophobicContact CB-CB 4.02Å
148Q94Very high94.9Very high144 Ų14438.2 Ų38.267%0.67321%0.205SC*.THydrogen-bonded Turntrans-58133.2176.5-166.617928.200110.6D146 G206D146-Q148 WeakPolarHBondContact OD1-CB 3.31Å; D146-Q148 PolarHBondContact OD1-N 2.91Å; D146-Q148 VanDerWaalsContact OD1-N 3.08Å; Q148-G206 PolarHBondContact N-O 3.33Å
149G91.9Very high95.1Very high50 Ų5034.9 Ų34.952%0.51519%0.192SC..THydrogen-bonded Turntrans84.59.7179.200000115.4A147 K170A147-G149 PolarHBondContact O-N 3.35Å; G149-K170 PolarHBondContact O-NZ 2.96Å
150F93.9Very high95Very high28 Ų2835.6 Ų35.612%0.12320%0.197CC..  trans-111.9146.4165.4-60.2-85.2000109.9L80 A147 D154 I155 A168 K170 F183 M202L80-F150 HydrophobicContact CD1-CD2 4.3Å; L80-F150 HydrophobicContact CD1-CE2 4.09Å; A147-F150 HydrophobicContact CB-CD2 4.47Å; A147-F150 PolarHBondContact O-N 2.87Å; F150-D154 HydrophobicContact CB-CB 4.49Å; F150-D154 HydrophobicContact CD1-CB 4.48Å; F150-I155 HydrophobicContact CB-CD1 3.97Å; F150-I155 HydrophobicContact CB-CG1 4Å; F150-A168 HydrophobicContact CD1-CB 3.68Å; F150-A168 HydrophobicContact CE1-CB 3.65Å; F150-A168 HydrophobicContact CG-CB 4.19Å; F150-A168 HydrophobicContact CZ-CB 4.17Å; F150-K170 HydrophobicContact CD1-CB 4.42Å; F150-K170 HydrophobicContact CE1-CB 3.92Å; F150-K170 HydrophobicContact CE1-CD 4.33Å; F150-F183 AromaticContact CE1-CD2 3.84Å; F150-F183 HydrophobicContact CE1-CD2 3.84Å; F150-F183 HydrophobicContact CE1-CE2 4.26Å; F150-F183 HydrophobicContact CE1-CG 4.45Å; F150-F183 HydrophobicContact CZ-CB 4.2Å; F150-F183 HydrophobicContact CZ-CD1 4.37Å; F150-F183 AromaticContact CZ-CD2 3.53Å; F150-F183 HydrophobicContact CZ-CD2 3.53Å; F150-F183 AromaticContact CZ-CE2 3.91Å; F150-F183 HydrophobicContact CZ-CE2 3.91Å; F150-F183 AromaticContact CZ-CG 3.79Å; F150-F183 HydrophobicContact CZ-CG 3.79Å; F150-F183 HydrophobicContact CZ-CZ 4.47Å; F150-M202 WeakPolarHBondContact O-CE 2.96Å
151A92.8Very high94.4Very high27 Ų2738.7 Ų38.722%0.22321%0.212CC..  trans-89.9157.5166.600000110.3Q153 D154A151-Q153 VanDerWaalsContact CB-CD 3.43Å; A151-Q153 HydrophobicContact CB-CG 4.42Å; A151-Q153 VanDerWaalsContact CB-NE2 3.3Å; A151-Q153 PolarHBondContact O-N 3.33Å; A151-Q153 VanDerWaalsContact O-N 3.13Å; A151-D154 WeakPolarHBondContact CB-OD2 3.32Å; A151-D154 PolarHBondContact N-OD2 3Å; A151-D154 WeakPolarHBondContact O-CB 3.47Å; A151-D154 PolarHBondContact O-N 3.18Å
152P94.7Very high93.9Very high21 Ų2142.5 Ų42.514%0.13623%0.232CC..G310 helixtrans-51.8-37.2178.4-3035.7000114.3V14 R16 D154 I155 M202V14-P152 HydrophobicContact CB-CB 4.46Å; V14-P152 HydrophobicContact CG1-CB 3.96Å; R16-P152 HydrophobicContact CB-CG 4.08Å; R16-P152 HydrophobicContact CG-CG 4.27Å; P152-D154 VanDerWaalsContact C-N 3.25Å; P152-D154 PolarHBondContact O-N 2.8Å; P152-I155 PolarHBondContact O-N 3.06Å; P152-M202 HydrophobicContact CB-SD 4.41Å; P152-M202 HydrophobicContact CG-CB 4.5Å; P152-M202 HydrophobicContact CG-SD 3.85Å
153Q93.7Very high93.7Very high154 Ų15443 Ų4372%0.7223%0.234SC*.G310 helixtrans-71.9-15.6178.368.2-86.412.500114.5A151 I155A151-Q153 VanDerWaalsContact CB-CD 3.43Å; A151-Q153 HydrophobicContact CB-CG 4.42Å; A151-Q153 VanDerWaalsContact CB-NE2 3.3Å; A151-Q153 PolarHBondContact O-N 3.33Å; A151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-I155 VanDerWaalsContact C-N 3.28Å
154D94.4Very high93.6Very high63 Ų6342.8 Ų42.834%0.33723%0.233SC..G310 helixtrans-84.9-8.1177.2-56.1-30.7000111.6F150 A151 P152 A168 K169F150-D154 HydrophobicContact CB-CB 4.49Å; F150-D154 HydrophobicContact CD1-CB 4.48Å; A151-D154 WeakPolarHBondContact CB-OD2 3.32Å; A151-D154 PolarHBondContact N-OD2 3Å; A151-D154 WeakPolarHBondContact O-CB 3.47Å; A151-D154 PolarHBondContact O-N 3.18Å; P152-D154 VanDerWaalsContact C-N 3.25Å; P152-D154 PolarHBondContact O-N 2.8Å; D154-A168 CarbonylContact O-C 3.57Å; D154-A168 VanDerWaalsContact O-CA 3.27Å; D154-A168 WeakPolarHBondContact O-CA 3.5Å; D154-K169 PolarHBondContact O-N 3.38Å
155I97.5Very high93.6Very high13 Ų1342.4 Ų42.47%0.06723%0.232CC..EExtended strand (participates in β ladder)trans-113127-173.7-55.6176.1000109.8V14 A147 F150 P152 Q153 V157 V166 H167 A168 M202 L208V14-I155 HydrophobicContact CG2-CB 4.46Å; V14-I155 HydrophobicContact CG2-CG2 4.28Å; A147-I155 HydrophobicContact CB-CD1 3.81Å; F150-I155 HydrophobicContact CB-CD1 3.97Å; F150-I155 HydrophobicContact CB-CG1 4Å; P152-I155 PolarHBondContact O-N 3.06Å; Q153-I155 VanDerWaalsContact C-N 3.28Å; I155-V157 HydrophobicContact CG2-CG2 3.97Å; I155-V166 HydrophobicContact CG2-CG1 3.85Å; I155-H167 CarbonylContact C-O 3.57Å; I155-H167 WeakPolarHBondContact CA-O 3.42Å; I155-A168 HydrophobicContact CG1-CB 4.09Å; I155-M202 HydrophobicContact CD1-CE 4.01Å; I155-M202 HydrophobicContact CD1-SD 3.79Å; I155-L208 HydrophobicContact CD1-CD1 4.4Å; I155-L208 HydrophobicContact CG2-CD2 4.05Å
156N97.2Very high93.6Very high75 Ų7542.4 Ų42.440%0.40123%0.232SC..EExtended strand (participates in β ladder)trans-109.2121.9168.6-174.315000109.9H167N156-H167 PolarHBondContact N-O 3.21Å; N156-H167 PolarHBondContact O-N 3.04Å
157V97.9Very high93.7Very high1 Ų141.2 Ų41.21%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-108.9125.9175.5-177.20000108.6I12 V14 I155 V164 T165 V166 L208 L210I12-V157 HydrophobicContact CB-CB 4.29Å; I12-V157 HydrophobicContact CB-CG1 4.04Å; I12-V157 HydrophobicContact CD1-CG1 4.1Å; I12-V157 PolarHBondContact N-O 3.01Å; V14-V157 HydrophobicContact CG2-CB 4.46Å; V14-V157 HydrophobicContact CG2-CG2 3.68Å; I155-V157 HydrophobicContact CG2-CG2 3.97Å; V157-V164 HydrophobicContact CG1-CG1 3.99Å; V157-T165 WeakPolarHBondContact CA-O 3.41Å; V157-V166 HydrophobicContact CG2-CG2 4.37Å; V157-L208 HydrophobicContact CG2-CD2 4.01Å; V157-L210 HydrophobicContact CG1-CD1 3.96Å; V157-L210 HydrophobicContact CG1-CD2 3.86Å; V157-L210 HydrophobicContact CG1-CG 4.31Å
158T96.4Very high93.8Very high27 Ų2741.2 Ų41.217%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-129.2142.917755.90000111.4V10 V164 T165V10-T158 CarbonylContact O-C 3.57Å; V10-T158 VanDerWaalsContact O-CA 3.26Å; V10-T158 WeakPolarHBondContact O-CA 3.48Å; T158-V164 CarbonylContact O-C 3.54Å; T158-V164 WeakPolarHBondContact O-CA 3.34Å; T158-T165 PolarHBondContact N-O 2.92Å; T158-T165 PolarHBondContact O-N 2.95Å
159S93.9Very high93.8Very high10 Ų1038.3 Ų38.37%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-110.2131169.5-177.60000109.5A9 V10 R163A9-S159 CarbonylContact C-O 3.49Å; A9-S159 WeakPolarHBondContact CA-O 3.49Å; V10-S159 PolarHBondContact N-O 2.84Å; V10-S159 PolarHBondContact O-N 2.8Å; S159-R163 WeakPolarHBondContact CA-O 3.28Å
160S90Very high93.7Very high17 Ų1739.8 Ų39.812%0.11920%0.201CC..EExtended strand (participates in β ladder)trans-146.4132.7176.565.70000110N162 R163S160-N162 PolarHBondContact O-N 2.83Å; S160-R163 PolarHBondContact N-O 2.76Å; S160-R163 PolarHBondContact O-N 2.93Å
161E82.4Confident93.5Very high91 Ų9144.1 Ų44.143%0.42522%0.222SC..THydrogen-bonded Turntrans60.3-97.8179.8-56.8171.9173.900111.5H7H7-E161 HydrophobicContact CB-CG 4.06Å; H7-E161 IonicContact CG-OE1 3.72Å
162N86.7Confident93.1Very high81 Ų8146.1 Ų46.143%0.43323%0.232SC..THydrogen-bonded Turntrans-13540.5175.8-58.4-52.4000109.5S160 Q188 L189S160-N162 PolarHBondContact O-N 2.83Å; N162-Q188 CarbonylContact O-C 3.6Å; N162-Q188 WeakPolarHBondContact O-CA 3.13Å; N162-Q188 WeakPolarHBondContact O-CG 3.37Å; N162-L189 PolarHBondContact O-N 2.68Å
163R90.9Very high92.7Very high17 Ų1749.8 Ų49.86%0.06425%0.254CS..EExtended strand (participates in β ladder)trans-145.6141.5-176.1179.2175.265.2-108.2-9.5111.3P94 F95 M98 S159 S160 M186 V187P94-R163 VanDerWaalsContact CB-CZ 3.46Å; F95-R163 VanDerWaalsContact CE1-NH1 3.27Å; M98-R163 WeakPolarHBondContact SD-CD 3.42Å; M98-R163 HydrophobicContact SD-CG 4.36Å; S159-R163 WeakPolarHBondContact CA-O 3.28Å; S160-R163 PolarHBondContact N-O 2.76Å; S160-R163 PolarHBondContact O-N 2.93Å; R163-M186 HydrophobicContact CG-CB 4.38Å; R163-M186 HydrophobicContact CG-CG 4.48Å; R163-V187 CarbonylContact C-O 3.59Å; R163-V187 VanDerWaalsContact CA-O 3.32Å; R163-V187 WeakPolarHBondContact CA-O 3.15Å; R163-V187 WeakPolarHBondContact CG-O 3.08Å
164V94.4Very high92.3Very high1 Ų146.6 Ų46.61%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-99.9135.4163.6167.20000109.4V157 T158 V166 M186 V187 L189 L198 L210V157-V164 HydrophobicContact CG1-CG1 3.99Å; T158-V164 CarbonylContact O-C 3.54Å; T158-V164 WeakPolarHBondContact O-CA 3.34Å; V164-V166 HydrophobicContact CG1-CG2 4.08Å; V164-M186 WeakPolarHBondContact O-CA 3.45Å; V164-V187 PolarHBondContact N-O 2.74Å; V164-V187 PolarHBondContact O-N 3.17Å; V164-L189 HydrophobicContact CB-CD2 4.4Å; V164-L189 HydrophobicContact CG2-CD1 3.93Å; V164-L189 HydrophobicContact CG2-CD2 3.71Å; V164-L189 HydrophobicContact CG2-CG 4.06Å; V164-L198 HydrophobicContact CG2-CD1 3.99Å; V164-L210 HydrophobicContact CB-CD2 4.24Å; V164-L210 HydrophobicContact CG1-CD1 4.28Å; V164-L210 HydrophobicContact CG1-CD2 3.61Å; V164-L210 HydrophobicContact CG2-CD2 3.67Å
165T95.2Very high91.9Very high6 Ų652.4 Ų52.44%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-114.1120.8169.3-52.30000108.7I90 V157 T158 M186I90-T165 HydrophobicContact CD1-CG2 4.44Å; I90-T165 HydrophobicContact CG2-CG2 3.95Å; V157-T165 WeakPolarHBondContact CA-O 3.41Å; T158-T165 PolarHBondContact N-O 2.92Å; T158-T165 PolarHBondContact O-N 2.95Å; T165-M186 HydrophobicContact CG2-CG 3.81Å; T165-M186 HydrophobicContact CG2-SD 4.43Å
166V97.1Very high91.2Very high0 Ų055.7 Ų55.70%031%0.313CS..EExtended strand (participates in β ladder)trans-102.2109.7169-177.60000107.2L80 F145 I155 V157 V164 C184 R185 L208 L210L80-V166 HydrophobicContact CD1-CG1 4.38Å; L80-V166 HydrophobicContact CD2-CB 4.06Å; L80-V166 HydrophobicContact CD2-CG1 3.67Å; F145-V166 HydrophobicContact CD1-CB 4.31Å; F145-V166 HydrophobicContact CD1-CG2 3.95Å; F145-V166 HydrophobicContact CD2-CG2 4.06Å; F145-V166 HydrophobicContact CE1-CB 4.26Å; F145-V166 HydrophobicContact CE1-CG2 3.64Å; F145-V166 HydrophobicContact CE2-CG2 3.78Å; F145-V166 HydrophobicContact CG-CG2 4.16Å; F145-V166 HydrophobicContact CZ-CG2 3.56Å; I155-V166 HydrophobicContact CG2-CG1 3.85Å; V157-V166 HydrophobicContact CG2-CG2 4.37Å; V164-V166 HydrophobicContact CG1-CG2 4.08Å; V166-C184 CarbonylContact O-C 3.13Å; V166-C184 VanDerWaalsContact O-CA 3.26Å; V166-C184 WeakPolarHBondContact O-CA 3.32Å; V166-R185 PolarHBondContact N-O 2.87Å; V166-R185 PolarHBondContact O-N 3.29Å; V166-L208 HydrophobicContact CB-CD2 4.46Å; V166-L208 HydrophobicContact CG1-CD2 3.52Å; V166-L208 HydrophobicContact CG2-CD2 4.04Å; V166-L210 HydrophobicContact CG2-CD1 4.35Å
167H96.6Very high90.7Very high40 Ų4053.9 Ų53.919%0.18531%0.312CS..EExtended strand (participates in β ladder)trans-112.4132.5176.8174.3-112.6000108.8I90 I155 N156 E182 F183I90-H167 HydrophobicContact CD1-CB 4.33Å; I155-H167 CarbonylContact C-O 3.57Å; I155-H167 WeakPolarHBondContact CA-O 3.42Å; N156-H167 PolarHBondContact N-O 3.21Å; N156-H167 PolarHBondContact O-N 3.04Å; H167-E182 IonicContact CD2-OE2 3.44Å; H167-E182 IonicContact CE1-OE2 3.58Å; H167-E182 PolarHBondContact CE1-OE2 2.95Å; H167-E182 IonicContact NE2-OE2 2.95Å; H167-E182 PolarHBondContact NE2-OE2 2.9Å; H167-F183 CarbonylContact C-O 3.59Å; H167-F183 WeakPolarHBondContact CA-O 3.42Å
168A97.3Very high90.2Very high0 Ų061.9 Ų61.90%035%0.347CS..EExtended strand (participates in β ladder)trans-129.8137.417800000110.3L80 F150 D154 I155 E182 F183L80-A168 HydrophobicContact CD1-CB 3.84Å; F150-A168 HydrophobicContact CD1-CB 3.68Å; F150-A168 HydrophobicContact CE1-CB 3.65Å; F150-A168 HydrophobicContact CG-CB 4.19Å; F150-A168 HydrophobicContact CZ-CB 4.17Å; D154-A168 CarbonylContact O-C 3.57Å; D154-A168 VanDerWaalsContact O-CA 3.27Å; D154-A168 WeakPolarHBondContact O-CA 3.5Å; I155-A168 HydrophobicContact CG1-CB 4.09Å; A168-E182 CarbonylContact O-C 3.57Å; A168-E182 WeakPolarHBondContact O-CA 3.39Å; A168-F183 PolarHBondContact N-O 2.93Å; A168-F183 PolarHBondContact O-N 2.94Å
169K95.4Very high89.8Confident82 Ų8264.4 Ų64.436%0.35737%0.365SS..EExtended strand (participates in β ladder)trans-118.1126.7177.8-171.9-173-174.3-156.70109.6D154 E171 S180 E182D154-K169 PolarHBondContact O-N 3.38Å; K169-E171 WeakPolarHBondContact CE-OE1 3.45Å; K169-E171 IonicContact NZ-OE1 3.93Å; K169-E171 PolarHBondContact NZ-OE1 2.82Å; K169-S180 WeakPolarHBondContact CE-OG 3.35Å; K169-E182 HydrophobicContact CB-CG 4.4Å; K169-E182 HydrophobicContact CG-CG 4.06Å
170K90.1Very high89.6Confident81 Ų8166.7 Ų66.735%0.35238%0.381SS..EExtended strand (participates in β ladder)trans-118.1117177.3-172.8164.9-175.2157.70110.6G149 F150 S180 R181G149-K170 PolarHBondContact O-NZ 2.96Å; F150-K170 HydrophobicContact CD1-CB 4.42Å; F150-K170 HydrophobicContact CE1-CB 3.92Å; F150-K170 HydrophobicContact CE1-CD 4.33Å; K170-S180 WeakPolarHBondContact O-CA 3.37Å; K170-R181 PolarHBondContact N-O 3.09Å; K170-R181 PolarHBondContact O-N 3.04Å
171E89.3Confident89.7Confident119 Ų11971 Ų7156%0.55639%0.394SS*.EExtended strand (participates in β ladder)trans-98.2122.9170.1-68.3-175.2-17100109.6K169 C179K169-E171 WeakPolarHBondContact CE-OE1 3.45Å; K169-E171 IonicContact NZ-OE1 3.93Å; K169-E171 PolarHBondContact NZ-OE1 2.82Å; E171-C179 CarbonylContact C-O 3.57Å; E171-C179 WeakPolarHBondContact CA-O 3.31Å
172T84.4Confident90.3Very high70 Ų7070.3 Ų70.343%0.42939%0.391SS..EExtended strand (participates in β ladder)trans-114.5119.9175.4-470000107.9T174 C179T172-T174 HydrophobicContact CG2-CG2 4.27Å; T172-C179 PolarHBondContact N-O 2.98Å; T172-C179 PolarHBondContact O-N 2.98Å
173T86.1Confident90.7Very high98 Ų9868.3 Ų68.360%0.60138%0.379SS*.EExtended strand (participates in β ladder)trans-99.5123.8174-56.20000108.5K178T173-K178 HydrophobicContact CG2-CG 4.13Å
174T84.7Confident90.9Very high87 Ų8767.5 Ų67.553%0.53438%0.376SS..EExtended strand (participates in β ladder)trans-124170.9171.864.30000109.3T172 G176 G177T172-T174 HydrophobicContact CG2-CG2 4.27Å; T174-G176 PolarHBondContact O-N 3.48Å; T174-G177 PolarHBondContact N-O 3.35Å; T174-G177 PolarHBondContact O-N 2.85Å; T174-G177 VanDerWaalsContact O-O 3.1Å
175D85.9Confident90.9Very high185 Ų18567.5 Ų67.599%0.98938%0.376SS*.THydrogen-bonded Turntrans-57.3-23.6178-60.1-21.5000112.8
176G84.4Confident90.7Very high81 Ų8167.3 Ų67.384%0.83537%0.374SS*.THydrogen-bonded Turntrans-89.8-117800000115.4T174T174-G176 PolarHBondContact O-N 3.48Å
177G86.3Confident90.4Very high38 Ų3867.3 Ų67.339%0.39237%0.374SS..EExtended strand (participates in β ladder)trans135.8-170.4175.900000114.8T174T174-G177 PolarHBondContact N-O 3.35Å; T174-G177 PolarHBondContact O-N 2.85Å; T174-G177 VanDerWaalsContact O-O 3.1Å
178K87.5Confident90Very high168 Ų16868.1 Ų68.173%0.7338%0.378SS*.EExtended strand (participates in β ladder)trans-102.7125.1176.1-65.5-174.1176.4-175.20109.6T173T173-K178 HydrophobicContact CG2-CG 4.13Å
179C87Confident89.7Confident80 Ų8068.4 Ų68.454%0.54138%0.379SS..EExtended strand (participates in β ladder)trans-110.3123.7171.6-177.80000108.9E171 T172E171-C179 CarbonylContact C-O 3.57Å; E171-C179 WeakPolarHBondContact CA-O 3.31Å; T172-C179 PolarHBondContact N-O 2.98Å; T172-C179 PolarHBondContact O-N 2.98Å
180S90.4Very high89.4Confident59 Ų5964.7 Ų64.741%0.41336%0.364SS..EExtended strand (participates in β ladder)trans-106.9126.9172.3176.30000108.6K169 K170K169-S180 WeakPolarHBondContact CE-OG 3.35Å; K170-S180 WeakPolarHBondContact O-CA 3.37Å
181R91.8Very high89.3Confident107 Ų10768.3 Ų68.340%0.40438%0.38SS..EExtended strand (participates in β ladder)trans-125.7136.4174.7-162167-166.5142.45.6110.4D84 K170 F183D84-R181 VanDerWaalsContact CG-NH2 3.31Å; D84-R181 IonicContact OD1-CZ 3.16Å; D84-R181 IonicContact OD1-NE 3.14Å; D84-R181 IonicContact OD1-NH2 2.83Å; D84-R181 PolarHBondContact OD1-NH2 3.07Å; D84-R181 IonicContact OD2-CZ 3.66Å; D84-R181 VanDerWaalsContact OD2-CZ 3.28Å; D84-R181 IonicContact OD2-NE 3.73Å; D84-R181 IonicContact OD2-NH2 2.7Å; D84-R181 PolarHBondContact OD2-NH2 3.34Å; K170-R181 PolarHBondContact N-O 3.09Å; K170-R181 PolarHBondContact O-N 3.04Å; R181-F183 HydrophobicContact CB-CE2 3.94Å; R181-F183 HydrophobicContact CG-CD2 4.48Å; R181-F183 HydrophobicContact CG-CE2 3.76Å; R181-F183 HydrophobicContact CG-CZ 4.04Å
182E95.1Very high89.4Confident77 Ų7763.3 Ų63.336%0.3636%0.358SS..EExtended strand (participates in β ladder)trans-109.4141.2-180-68.6-178.3-144.400110.1L83 H167 A168 K169L83-E182 HydrophobicContact CB-CB 4.24Å; L83-E182 PolarHBondContact N-O 3.46Å; H167-E182 IonicContact CD2-OE2 3.44Å; H167-E182 IonicContact CE1-OE2 3.58Å; H167-E182 PolarHBondContact CE1-OE2 2.95Å; H167-E182 IonicContact NE2-OE2 2.95Å; H167-E182 PolarHBondContact NE2-OE2 2.9Å; A168-E182 CarbonylContact O-C 3.57Å; A168-E182 WeakPolarHBondContact O-CA 3.39Å; K169-E182 HydrophobicContact CB-CG 4.4Å; K169-E182 HydrophobicContact CG-CG 4.06Å
183F95.8Very high89.8Confident38 Ų3860 Ų6017%0.16734%0.338CS..EExtended strand (participates in β ladder)trans-128147.2179.3-61.7-105.5000109.1L80 L81 P82 F150 H167 A168 R181L80-F183 HydrophobicContact CB-CB 3.82Å; L81-F183 CarbonylContact O-C 3.51Å; L81-F183 WeakPolarHBondContact O-CA 3.41Å; P82-F183 HydrophobicContact CB-CD1 4.36Å; P82-F183 HydrophobicContact CB-CE1 4.25Å; P82-F183 HydrophobicContact CG-CD1 4.08Å; P82-F183 HydrophobicContact CG-CE1 3.78Å; F150-F183 AromaticContact CE1-CD2 3.84Å; F150-F183 HydrophobicContact CE1-CD2 3.84Å; F150-F183 HydrophobicContact CE1-CE2 4.26Å; F150-F183 HydrophobicContact CE1-CG 4.45Å; F150-F183 HydrophobicContact CZ-CB 4.2Å; F150-F183 HydrophobicContact CZ-CD1 4.37Å; F150-F183 AromaticContact CZ-CD2 3.53Å; F150-F183 HydrophobicContact CZ-CD2 3.53Å; F150-F183 AromaticContact CZ-CE2 3.91Å; F150-F183 HydrophobicContact CZ-CE2 3.91Å; F150-F183 AromaticContact CZ-CG 3.79Å; F150-F183 HydrophobicContact CZ-CG 3.79Å; F150-F183 HydrophobicContact CZ-CZ 4.47Å; H167-F183 CarbonylContact C-O 3.59Å; H167-F183 WeakPolarHBondContact CA-O 3.42Å; A168-F183 PolarHBondContact N-O 2.93Å; A168-F183 PolarHBondContact O-N 2.94Å; R181-F183 HydrophobicContact CB-CE2 3.94Å; R181-F183 HydrophobicContact CG-CD2 4.48Å; R181-F183 HydrophobicContact CG-CE2 3.76Å; R181-F183 HydrophobicContact CG-CZ 4.04Å
184C95Very high90.1Very high0 Ų057 Ų570%032%0.318CS..EExtended strand (participates in β ladder)trans-143.1149.3-177.9-175.40000111L81 L83 I90 M101 V166L81-C184 PolarHBondContact N-O 3.03Å; L81-C184 PolarHBondContact O-N 3.3Å; L83-C184 HydrophobicContact CD1-CB 4.03Å; I90-C184 HydrophobicContact CD1-CB 4.17Å; M101-C184 HydrophobicContact CE-CB 4.43Å; M101-C184 WeakPolarHBondContact CE-O 3.36Å; V166-C184 CarbonylContact O-C 3.13Å; V166-C184 VanDerWaalsContact O-CA 3.26Å; V166-C184 WeakPolarHBondContact O-CA 3.32Å
185R93.4Very high90.4Very high2 Ų255.6 Ų55.61%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-141.1138.9158.3-16869.4169.6153.12.2109.8F78 A79 L80 D102 G121 F145 V166 V187F78-R185 HydrophobicContact CB-CG 3.85Å; F78-R185 HydrophobicContact CD1-CG 4.37Å; F78-R185 VanDerWaalsContact CD1-NE 3.34Å; F78-R185 HydrophobicContact CG-CG 4.27Å; A79-R185 WeakPolarHBondContact O-CD 3.24Å; L80-R185 HydrophobicContact CD2-CB 3.7Å; D102-R185 IonicContact OD1-NH1 3.34Å; D102-R185 IonicContact OD1-NH2 3.41Å; G121-R185 PolarHBondContact O-NH2 3.12Å; F145-R185 HydrophobicContact CD1-CB 3.92Å; F145-R185 HydrophobicContact CD1-CG 3.99Å; F145-R185 HydrophobicContact CE1-CB 3.87Å; F145-R185 HydrophobicContact CE1-CG 3.75Å; V166-R185 PolarHBondContact N-O 2.87Å; V166-R185 PolarHBondContact O-N 3.29Å; R185-V187 HydrophobicContact CG-CG2 4.46Å
186M91.8Very high90.7Very high1 Ų151.4 Ų51.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-120.4135.9176.2-83.7-174.8-74.600109.9P94 L97 M98 M101 R163 V164 T165P94-M186 HydrophobicContact CB-CE 4.45Å; P94-M186 HydrophobicContact CB-SD 3.91Å; L97-M186 HydrophobicContact CB-CE 3.81Å; L97-M186 HydrophobicContact CD2-CE 3.28Å; L97-M186 HydrophobicContact CG-CE 3.44Å; L97-M186 VanDerWaalsContact CG-CE 3.44Å; M98-M186 HydrophobicContact CE-CB 4.4Å; M98-M186 HydrophobicContact CG-CB 3.56Å; M98-M186 HydrophobicContact CG-CE 3.99Å; M98-M186 HydrophobicContact CG-CG 4.46Å; M98-M186 HydrophobicContact CG-SD 4.19Å; M98-M186 HydrophobicContact SD-CB 3.96Å; M101-M186 HydrophobicContact SD-CE 4.26Å; R163-M186 HydrophobicContact CG-CB 4.38Å; R163-M186 HydrophobicContact CG-CG 4.48Å; V164-M186 WeakPolarHBondContact O-CA 3.45Å; T165-M186 HydrophobicContact CG2-CG 3.81Å; T165-M186 HydrophobicContact CG2-SD 4.43Å
187V89.7Confident91.1Very high0 Ų052.2 Ų52.20%027%0.274CS..EExtended strand (participates in β ladder)trans-132.5128.3-179-178.80000108.8F78 F126 F145 R163 V164 R185F78-V187 HydrophobicContact CD1-CG2 4.39Å; F78-V187 HydrophobicContact CD2-CG2 3.89Å; F78-V187 HydrophobicContact CE1-CG2 4.1Å; F78-V187 HydrophobicContact CE2-CG1 4.16Å; F78-V187 HydrophobicContact CE2-CG2 3.6Å; F78-V187 HydrophobicContact CG-CG2 4.27Å; F78-V187 HydrophobicContact CZ-CG1 4.05Å; F78-V187 HydrophobicContact CZ-CG2 3.69Å; F126-V187 HydrophobicContact CD2-CG1 4.43Å; F126-V187 HydrophobicContact CE1-CG1 4.09Å; F126-V187 HydrophobicContact CE2-CG1 3.7Å; F126-V187 HydrophobicContact CZ-CG1 3.5Å; F145-V187 HydrophobicContact CE1-CG2 3.77Å; F145-V187 HydrophobicContact CZ-CG2 3.74Å; R163-V187 CarbonylContact C-O 3.59Å; R163-V187 VanDerWaalsContact CA-O 3.32Å; R163-V187 WeakPolarHBondContact CA-O 3.15Å; R163-V187 WeakPolarHBondContact CG-O 3.08Å; V164-V187 PolarHBondContact N-O 2.74Å; V164-V187 PolarHBondContact O-N 3.17Å; R185-V187 HydrophobicContact CG-CG2 4.46Å
188Q88.7Confident91.6Very high58 Ų5851.2 Ų51.227%0.27126%0.26SS..EExtended strand (participates in β ladder)trans-73.9135.5173.9-164.5166.34.700109.7M98 F126 N162 H350M98-Q188 HydrophobicContact CE-CB 4.25Å; F126-Q188 WeakPolarHBondContact CZ-O 3.5Å; N162-Q188 CarbonylContact O-C 3.6Å; N162-Q188 WeakPolarHBondContact O-CA 3.13Å; N162-Q188 WeakPolarHBondContact O-CG 3.37Å; Q188-H350 VanDerWaalsContact CD-NE2 3.32Å; Q188-H350 PolarHBondContact OE1-CE1 2.68Å; Q188-H350 PolarHBondContact OE1-NE2 2.85Å
189L90.6Very high92.1Very high5 Ų549.3 Ų49.33%0.02625%0.252CS..PPolyproline II helixtrans-91.9128.9179.1-62.8179.9000109.6F141 N162 V164 I193 D195 L198F141-L189 HydrophobicContact CE1-CD2 3.93Å; F141-L189 HydrophobicContact CZ-CD2 4.17Å; N162-L189 PolarHBondContact O-N 2.68Å; V164-L189 HydrophobicContact CB-CD2 4.4Å; V164-L189 HydrophobicContact CG2-CD1 3.93Å; V164-L189 HydrophobicContact CG2-CD2 3.71Å; V164-L189 HydrophobicContact CG2-CG 4.06Å; L189-I193 HydrophobicContact CB-CD1 3.87Å; L189-I193 HydrophobicContact CD1-CD1 4.11Å; L189-I193 HydrophobicContact CD2-CD1 3.67Å; L189-I193 HydrophobicContact CG-CD1 4.08Å; L189-D195 HydrophobicContact CD1-CB 4.13Å; L189-L198 HydrophobicContact CD1-CD1 3.75Å
190P89.7Confident92.6Very high5 Ų545.6 Ų45.63%0.03223%0.226CC..PPolyproline II helixtrans-63.1149.3171.1-22.734.8000111.7L127 Y131 F141 S192 I193 D327L127-P190 HydrophobicContact CD1-CG 4.28Å; L127-P190 HydrophobicContact CD2-CG 3.36Å; Y131-P190 VanDerWaalsContact OH-CB 3.29Å; Y131-P190 WeakPolarHBondContact OH-CB 3.41Å; Y131-P190 VanDerWaalsContact OH-CG 3.31Å; Y131-P190 WeakPolarHBondContact OH-CG 3.32Å; F141-P190 HydrophobicContact CE2-CG 4.08Å; P190-S192 PolarHBondContact O-N 2.95Å; P190-I193 HydrophobicContact CB-CG2 4.31Å; P190-I193 HydrophobicContact CG-CG2 4.47Å; P190-I193 WeakPolarHBondContact O-CG1 3.26Å; P190-I193 PolarHBondContact O-N 2.85Å; P190-D327 HydrophobicContact CB-CB 4.41Å
191K88.5Confident92.9Very high156 Ų15643.9 Ų43.968%0.67821%0.211SC*.THydrogen-bonded Turntrans-65.4-20.9177-67.2179.3-178.8172.40113.6I193K191-I193 PolarHBondContact O-N 2.69Å
192S90.1Very high93.2Very high14 Ų1439.1 Ų39.110%0.09819%0.193CC..THydrogen-bonded Turntrans-75.4-3.7-179.460.40000114Y131 P190 V214 K215 D327Y131-S192 PolarHBondContact OH-OG 2.97Å; P190-S192 PolarHBondContact O-N 2.95Å; S192-V214 CarbonylContact O-C 3.51Å; S192-V214 WeakPolarHBondContact O-CA 3.32Å; S192-K215 WeakPolarHBondContact O-CB 3.11Å; S192-K215 PolarHBondContact O-N 3.3Å; S192-D327 WeakPolarHBondContact CB-OD2 3.39Å; S192-D327 PolarHBondContact OG-OD2 2.82Å
193I92.6Very high93.4Very high1 Ų135.7 Ų35.71%0.00518%0.178CC..BIsolated β-bridgetrans-98148.6178.183.6175.2000111.1Y131 F141 L189 P190 K191 D195 L198 K215Y131-I193 HydrophobicContact CE1-CG2 4.27Å; F141-I193 HydrophobicContact CB-CB 4.23Å; F141-I193 HydrophobicContact CB-CG2 3.56Å; F141-I193 HydrophobicContact CD1-CD1 3.78Å; F141-I193 HydrophobicContact CD1-CG2 4.24Å; F141-I193 HydrophobicContact CD2-CG2 3.8Å; F141-I193 HydrophobicContact CE1-CD1 3.93Å; F141-I193 HydrophobicContact CE2-CG2 4.49Å; F141-I193 HydrophobicContact CG-CB 4.46Å; F141-I193 HydrophobicContact CG-CD1 4.24Å; F141-I193 HydrophobicContact CG-CG2 3.62Å; L189-I193 HydrophobicContact CB-CD1 3.87Å; L189-I193 HydrophobicContact CD1-CD1 4.11Å; L189-I193 HydrophobicContact CD2-CD1 3.67Å; L189-I193 HydrophobicContact CG-CD1 4.08Å; P190-I193 HydrophobicContact CB-CG2 4.31Å; P190-I193 HydrophobicContact CG-CG2 4.47Å; P190-I193 WeakPolarHBondContact O-CG1 3.26Å; P190-I193 PolarHBondContact O-N 2.85Å; K191-I193 PolarHBondContact O-N 2.69Å; I193-D195 HydrophobicContact CG1-CB 4.38Å; I193-D195 PolarHBondContact O-N 2.76Å; I193-L198 HydrophobicContact CD1-CD2 4.46Å; I193-K215 WeakPolarHBondContact O-CD 3.04Å; I193-K215 WeakPolarHBondContact O-CE 3.31Å; I193-K215 PolarHBondContact O-NZ 2.9Å
194D92.5Very high93.4Very high34 Ų3438 Ų3818%0.18219%0.192CC..  trans-84.285.1167-1722.9000110.2S196 Q197 P213 K215D194-S196 PolarHBondContact O-N 2.78Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.66Å; D194-S196 PolarHBondContact OD1-OG 2.77Å; D194-Q197 PolarHBondContact O-N 3.18Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.41Å; D194-Q197 PolarHBondContact OD2-NE2 3.16Å; D194-P213 HydrophobicContact CB-CG 4.15Å; D194-P213 PolarHBondContact N-O 2.9Å; D194-K215 HydrophobicContact CB-CG 4.24Å
195D91.2Very high93.5Very high58 Ų5840.2 Ų40.231%0.3120%0.204SC..G310 helixtrans-59.7-23.6-179.660.3-46000113.4L189 I193 Q197 L198 K215L189-D195 HydrophobicContact CD1-CB 4.13Å; I193-D195 HydrophobicContact CG1-CB 4.38Å; I193-D195 PolarHBondContact O-N 2.76Å; D195-Q197 PolarHBondContact O-N 2.83Å; D195-L198 HydrophobicContact CB-CD1 4.25Å; D195-L198 WeakPolarHBondContact O-CD1 3.21Å; D195-L198 WeakPolarHBondContact O-CG 3.27Å; D195-L198 PolarHBondContact O-N 3.45Å; D195-K215 IonicContact OD1-NZ 2.9Å; D195-K215 PolarHBondContact OD1-NZ 3.11Å
196S91.6Very high93.6Very high98 Ų9840.4 Ų40.469%0.68521%0.206SC*.G310 helixtrans-68.7-19.2174.378.80000113.4D194D194-S196 PolarHBondContact O-N 2.78Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.66Å; D194-S196 PolarHBondContact OD1-OG 2.77Å
197Q94.5Very high93.9Very high97 Ų9740.5 Ų40.545%0.45321%0.207SC..G310 helixtrans-108.218.3-179.9-67.6-16360.600113.2D194 D195 K199 P213D194-Q197 PolarHBondContact O-N 3.18Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.41Å; D194-Q197 PolarHBondContact OD2-NE2 3.16Å; D195-Q197 PolarHBondContact O-N 2.83Å; Q197-K199 PolarHBondContact O-N 2.87Å; Q197-P213 HydrophobicContact CB-CG 3.94Å
198L96.4Very high94.3Very high18 Ų1840.5 Ų40.59%0.09421%0.207CC..  trans-58.5125.8173.6-80.4164.9000111I12 V164 L189 I193 D195 L210 E211 A212I12-L198 HydrophobicContact CD1-CB 3.71Å; I12-L198 HydrophobicContact CD1-CD1 4Å; I12-L198 HydrophobicContact CD1-CG 4.46Å; V164-L198 HydrophobicContact CG2-CD1 3.99Å; L189-L198 HydrophobicContact CD1-CD1 3.75Å; I193-L198 HydrophobicContact CD1-CD2 4.46Å; D195-L198 HydrophobicContact CB-CD1 4.25Å; D195-L198 WeakPolarHBondContact O-CD1 3.21Å; D195-L198 WeakPolarHBondContact O-CG 3.27Å; D195-L198 PolarHBondContact O-N 3.45Å; L198-L210 HydrophobicContact CD2-CD2 4.13Å; L198-E211 WeakPolarHBondContact CA-O 3.49Å; L198-A212 HydrophobicContact CD2-CB 3.76Å; L198-A212 HydrophobicContact CG-CB 4.13Å
199K97.2Very high94.7Very high128 Ų12838 Ų3856%0.55720%0.195SC*.EExtended strand (participates in β ladder)trans-116.7145.1172.6-65.3175.5-172.2172.90109.1Q197 L210 E211Q197-K199 PolarHBondContact O-N 2.87Å; K199-L210 VanDerWaalsContact O-CA 3.31Å; K199-L210 WeakPolarHBondContact O-CA 3.15Å; K199-E211 HydrophobicContact CB-CG 4.25Å; K199-E211 PolarHBondContact N-O 3.19Å; K199-E211 PolarHBondContact O-N 2.79Å
200C98.1Very high95.1Very high1 Ų137.7 Ų37.71%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-123.1135175.4-166.60000110.9I12 N15 L208 M209 L210I12-C200 HydrophobicContact CG2-CB 3.64Å; N15-C200 PolarHBondContact N-O 3.18Å; N15-C200 VanDerWaalsContact N-O 3.09Å; N15-C200 PolarHBondContact ND2-O 2.99Å; C200-L208 WeakPolarHBondContact SG-CD1 3.31Å; C200-M209 WeakPolarHBondContact CA-O 3.34Å; C200-L210 HydrophobicContact CB-CD1 4.46Å; C200-L210 HydrophobicContact CB-CG 4.17Å
201R97.5Very high95.4Very high23 Ų2338.9 Ų38.99%0.08720%0.199CC..EExtended strand (participates in β ladder)trans-137.7148.1177.349.8178162.7-177-5.1110.9N15 E17 E135 L208 M209 E211N15-R201 CarbonylContact O-C 3.37Å; N15-R201 WeakPolarHBondContact O-CA 3.38Å; E17-R201 HydrophobicContact CG-CB 4.24Å; E17-R201 WeakPolarHBondContact OE1-CD 3.37Å; E17-R201 IonicContact OE1-CZ 2.75Å; E17-R201 IonicContact OE1-NE 3.5Å; E17-R201 IonicContact OE1-NH1 2.78Å; E17-R201 PolarHBondContact OE1-NH1 3Å; E135-R201 IonicContact OE1-NH1 2.77Å; E135-R201 IonicContact OE1-NH2 4Å; R201-L208 CarbonylContact O-C 3.51Å; R201-M209 HydrophobicContact CG-CB 4.1Å; R201-M209 PolarHBondContact N-O 2.98Å; R201-M209 PolarHBondContact O-N 2.83Å; R201-E211 IonicContact CZ-OE1 2.66Å; R201-E211 IonicContact CZ-OE2 3.38Å; R201-E211 IonicContact NE-OE1 3.1Å; R201-E211 PolarHBondContact NE-OE1 2.94Å; R201-E211 IonicContact NE-OE2 3.11Å; R201-E211 IonicContact NH2-OE1 2.78Å; R201-E211 PolarHBondContact NH2-OE1 2.84Å; R201-E211 IonicContact NH2-OE2 3.16Å; R201-E211 PolarHBondContact NH2-OE2 2.94Å
202M98.1Very high95.8Very high7 Ų731.5 Ų31.53%0.03417%0.167CC..EExtended strand (participates in β ladder)trans-125.5124.7178.5-171.2173.9-176.100110V14 N15 E17 A147 F150 P152 I155 V207 L208V14-M202 HydrophobicContact CG1-CB 3.87Å; N15-M202 PolarHBondContact O-N 3.35Å; E17-M202 PolarHBondContact N-O 3.21Å; A147-M202 HydrophobicContact CB-CE 3.95Å; A147-M202 WeakPolarHBondContact O-CE 3.44Å; F150-M202 WeakPolarHBondContact O-CE 2.96Å; P152-M202 HydrophobicContact CB-SD 4.41Å; P152-M202 HydrophobicContact CG-CB 4.5Å; P152-M202 HydrophobicContact CG-SD 3.85Å; I155-M202 HydrophobicContact CD1-CE 4.01Å; I155-M202 HydrophobicContact CD1-SD 3.79Å; M202-V207 WeakPolarHBondContact CA-O 3.44Å; M202-L208 HydrophobicContact CB-CD1 4Å; M202-L208 HydrophobicContact CG-CD1 4.39Å
203T98.1Very high96Very high5 Ų532.4 Ų32.43%0.03117%0.173CC..  trans-75.1164.9177.3630000111.6R19 F21 D205 G206 V207R19-T203 WeakPolarHBondContact O-CA 3.44Å; R19-T203 VanDerWaalsContact O-CB 3.25Å; R19-T203 WeakPolarHBondContact O-CB 3.17Å; F21-T203 HydrophobicContact CB-CG2 4.22Å; T203-D205 WeakPolarHBondContact CB-OD1 3Å; T203-D205 PolarHBondContact O-N 2.72Å; T203-D205 PolarHBondContact OG1-OD1 3.45Å; T203-G206 PolarHBondContact O-N 3.01Å; T203-V207 HydrophobicContact CG2-CB 4.34Å; T203-V207 PolarHBondContact N-O 3.42Å; T203-V207 WeakPolarHBondContact OG1-CA 2.98Å; T203-V207 VanDerWaalsContact OG1-CB 3.31Å; T203-V207 WeakPolarHBondContact OG1-CB 3.29Å; T203-V207 PolarHBondContact OG1-N 2.89Å; T203-V207 PolarHBondContact OG1-O 3.3Å
204D95.7Very high96Very high87 Ų8733.3 Ų33.347%0.46518%0.178SC..THydrogen-bonded Turntrans-66.4-24.7178.963.814.4000113.5R19 S20 G206R19-D204 WeakPolarHBondContact CA-OD2 3.39Å; R19-D204 PolarHBondContact O-N 2.94Å; S20-D204 WeakPolarHBondContact CA-OD1 3.43Å; S20-D204 WeakPolarHBondContact CB-OD1 3.39Å; S20-D204 PolarHBondContact N-OD1 3.39Å; S20-D204 PolarHBondContact N-OD2 3.49Å; D204-G206 VanDerWaalsContact C-N 3.33Å
205D96.5Very high95.8Very high46 Ų4636.5 Ų36.525%0.24619%0.19CC..THydrogen-bonded Turntrans-91.710.3177.267.3-26.5000113.4S20 F21 R74 T203S20-D205 WeakPolarHBondContact CA-OD1 2.87Å; F21-D205 PolarHBondContact N-OD1 3.15Å; F21-D205 PolarHBondContact N-OD2 3Å; R74-D205 IonicContact NH1-OD2 3.66Å; R74-D205 IonicContact NH2-OD2 2.75Å; T203-D205 WeakPolarHBondContact CB-OD1 3Å; T203-D205 PolarHBondContact O-N 2.72Å; T203-D205 PolarHBondContact OG1-OD1 3.45Å
206G96.7Very high95.1Very high6 Ų635.6 Ų35.66%0.06219%0.187CC..SBendtrans8721.2168.200000115.5A147 Q148 T203 D204A147-G206 CarbonylContact C-O 3.44Å; A147-G206 VanDerWaalsContact CA-O 3.27Å; A147-G206 WeakPolarHBondContact CA-O 3.31Å; A147-G206 WeakPolarHBondContact CB-O 3.22Å; A147-G206 PolarHBondContact N-O 2.72Å; Q148-G206 PolarHBondContact N-O 3.33Å; T203-G206 PolarHBondContact O-N 3.01Å; D204-G206 VanDerWaalsContact C-N 3.33Å
207V97.8Very high94.1Very high4 Ų436 Ų362%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-90.9112.8172.5-1770000109.1F21 M77 R144 M202 T203F21-V207 HydrophobicContact CB-CB 4.03Å; F21-V207 HydrophobicContact CB-CG2 3.62Å; F21-V207 HydrophobicContact CD1-CG2 4.36Å; F21-V207 HydrophobicContact CD2-CB 4.43Å; F21-V207 HydrophobicContact CD2-CG1 4.06Å; F21-V207 HydrophobicContact CG-CB 4.25Å; F21-V207 HydrophobicContact CG-CG1 4.2Å; F21-V207 HydrophobicContact CG-CG2 3.94Å; M77-V207 HydrophobicContact CE-CB 4.37Å; M77-V207 HydrophobicContact CE-CG1 3.69Å; M77-V207 HydrophobicContact CE-CG2 3.69Å; M77-V207 HydrophobicContact SD-CG1 4.19Å; M77-V207 HydrophobicContact SD-CG2 4.02Å; R144-V207 HydrophobicContact CB-CG1 4.14Å; R144-V207 HydrophobicContact CG-CG1 4.33Å; M202-V207 WeakPolarHBondContact CA-O 3.44Å; T203-V207 HydrophobicContact CG2-CB 4.34Å; T203-V207 PolarHBondContact N-O 3.42Å; T203-V207 WeakPolarHBondContact OG1-CA 2.98Å; T203-V207 VanDerWaalsContact OG1-CB 3.31Å; T203-V207 WeakPolarHBondContact OG1-CB 3.29Å; T203-V207 PolarHBondContact OG1-N 2.89Å; T203-V207 PolarHBondContact OG1-O 3.3Å
208L98.4Very high92.6Very high0 Ų040.6 Ų40.60%020%0.203CC..EExtended strand (participates in β ladder)trans-85.9123.7171.3-173.879.4000108.7V14 R144 F145 A147 I155 V157 V166 C200 R201 M202 L210V14-L208 HydrophobicContact CG1-CD1 3.49Å; V14-L208 VanDerWaalsContact CG1-CD1 3.49Å; V14-L208 HydrophobicContact CG2-CD1 4.22Å; R144-L208 CarbonylContact C-O 3.57Å; R144-L208 VanDerWaalsContact CA-O 3.31Å; R144-L208 WeakPolarHBondContact CA-O 3.4Å; F145-L208 HydrophobicContact CB-CB 4.21Å; F145-L208 HydrophobicContact CD2-CD2 4.23Å; F145-L208 PolarHBondContact N-O 3.13Å; F145-L208 PolarHBondContact O-N 2.95Å; A147-L208 HydrophobicContact CB-CB 4.02Å; I155-L208 HydrophobicContact CD1-CD1 4.4Å; I155-L208 HydrophobicContact CG2-CD2 4.05Å; V157-L208 HydrophobicContact CG2-CD2 4.01Å; V166-L208 HydrophobicContact CB-CD2 4.46Å; V166-L208 HydrophobicContact CG1-CD2 3.52Å; V166-L208 HydrophobicContact CG2-CD2 4.04Å; C200-L208 WeakPolarHBondContact SG-CD1 3.31Å; R201-L208 CarbonylContact O-C 3.51Å; M202-L208 HydrophobicContact CB-CD1 4Å; M202-L208 HydrophobicContact CG-CD1 4.39Å; L208-L210 HydrophobicContact CD2-CD1 4.5Å
209M97.6Very high90.9Very high4 Ų442.5 Ų42.52%0.0221%0.213CC..EExtended strand (participates in β ladder)trans-118.9128.4179.9-175.4-177.8-56.100109.9F21 K142 V143 R144 C200 R201F21-M209 HydrophobicContact CD2-CE 4.09Å; F21-M209 HydrophobicContact CE2-CE 3.71Å; K142-M209 HydrophobicContact CD-SD 4.44Å; V143-M209 WeakPolarHBondContact O-CA 3.45Å; R144-M209 HydrophobicContact CG-CB 4.45Å; R144-M209 HydrophobicContact CG-CE 4.09Å; R144-M209 HydrophobicContact CG-CG 4.2Å; C200-M209 WeakPolarHBondContact CA-O 3.34Å; R201-M209 HydrophobicContact CG-CB 4.1Å; R201-M209 PolarHBondContact N-O 2.98Å; R201-M209 PolarHBondContact O-N 2.83Å
210L97.5Very high89.8Confident0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-102.1138162.9-84.891.1000109.6I12 K142 V143 F145 V157 V164 V166 L198 K199 C200 L208I12-L210 HydrophobicContact CD1-CD2 4.04Å; K142-L210 WeakPolarHBondContact CA-O 2.89Å; V143-L210 HydrophobicContact CG2-CB 3.83Å; V143-L210 PolarHBondContact N-O 3.35Å; V143-L210 PolarHBondContact O-N 3.23Å; F145-L210 HydrophobicContact CD2-CD1 4.27Å; F145-L210 HydrophobicContact CE2-CD1 3.72Å; V157-L210 HydrophobicContact CG1-CD1 3.96Å; V157-L210 HydrophobicContact CG1-CD2 3.86Å; V157-L210 HydrophobicContact CG1-CG 4.31Å; V164-L210 HydrophobicContact CB-CD2 4.24Å; V164-L210 HydrophobicContact CG1-CD1 4.28Å; V164-L210 HydrophobicContact CG1-CD2 3.61Å; V164-L210 HydrophobicContact CG2-CD2 3.67Å; V166-L210 HydrophobicContact CG2-CD1 4.35Å; L198-L210 HydrophobicContact CD2-CD2 4.13Å; K199-L210 VanDerWaalsContact O-CA 3.31Å; K199-L210 WeakPolarHBondContact O-CA 3.15Å; C200-L210 HydrophobicContact CB-CD1 4.46Å; C200-L210 HydrophobicContact CB-CG 4.17Å; L208-L210 HydrophobicContact CD2-CD1 4.5Å
211E97.1Very high89.3Confident30 Ų3037.9 Ų37.914%0.1419%0.194CC..EExtended strand (participates in β ladder)trans-139.7149.517570.4-175.5174.100112.9F141 K142 L198 K199 R201F141-E211 CarbonylContact O-C 3.58Å; F141-E211 WeakPolarHBondContact O-CA 3.38Å; F141-E211 WeakPolarHBondContact O-CB 3.25Å; K142-E211 WeakPolarHBondContact CE-OE2 3.43Å; K142-E211 HydrophobicContact CG-CB 3.98Å; L198-E211 WeakPolarHBondContact CA-O 3.49Å; K199-E211 HydrophobicContact CB-CG 4.25Å; K199-E211 PolarHBondContact N-O 3.19Å; K199-E211 PolarHBondContact O-N 2.79Å; R201-E211 IonicContact CZ-OE1 2.66Å; R201-E211 IonicContact CZ-OE2 3.38Å; R201-E211 IonicContact NE-OE1 3.1Å; R201-E211 PolarHBondContact NE-OE1 2.94Å; R201-E211 IonicContact NE-OE2 3.11Å; R201-E211 IonicContact NH2-OE1 2.78Å; R201-E211 PolarHBondContact NH2-OE1 2.84Å; R201-E211 IonicContact NH2-OE2 3.16Å; R201-E211 PolarHBondContact NH2-OE2 2.94Å
212A96.5Very high89Confident1 Ų136.8 Ų36.81%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-148.7149.6173.300000110.4F141 L198F141-A212 PolarHBondContact N-O 3.15Å; F141-A212 PolarHBondContact O-N 3.45Å; L198-A212 HydrophobicContact CD2-CB 3.76Å; L198-A212 HydrophobicContact CG-CB 4.13Å
213P93.9Very high88.8Confident33 Ų3337 Ų3721%0.21419%0.191CC..EExtended strand (participates in β ladder)trans-65.3154.2168.127.9-29.8000110.2D194 Q197D194-P213 HydrophobicContact CB-CG 4.15Å; D194-P213 PolarHBondContact N-O 2.9Å; Q197-P213 HydrophobicContact CB-CG 3.94Å
214V93.3Very high88.5Confident19 Ų1937.6 Ų37.612%0.11519%0.194CC..BIsolated β-bridgetrans-95.6142.2176.1-62.60000111.5Y131 V139 F141 S192 V216 L329Y131-V214 HydrophobicContact CD1-CG1 3.87Å; Y131-V214 HydrophobicContact CE1-CG1 3.77Å; V139-V214 HydrophobicContact CB-CG2 4.04Å; V139-V214 HydrophobicContact CG1-CG1 4.47Å; V139-V214 HydrophobicContact CG1-CG2 4.03Å; V139-V214 VanDerWaalsContact O-CG2 3.25Å; V139-V214 WeakPolarHBondContact O-CG2 3.33Å; F141-V214 HydrophobicContact CB-CG1 4.23Å; S192-V214 CarbonylContact O-C 3.51Å; S192-V214 WeakPolarHBondContact O-CA 3.32Å; V214-V216 VanDerWaalsContact C-N 3.34Å; V214-V216 HydrophobicContact CB-CG2 4.21Å; V214-V216 HydrophobicContact CG2-CG2 3.3Å; V214-V216 PolarHBondContact O-N 3.22Å; V214-V216 VanDerWaalsContact O-N 3.08Å; V214-L329 HydrophobicContact CB-CD1 3.61Å; V214-L329 HydrophobicContact CG1-CD1 3.52Å; V214-L329 HydrophobicContact CG2-CD1 3.89Å
215K89.2Confident88.3Confident102 Ų10235 Ų3544%0.44318%0.18SC..  trans-7684171.5-64.5166.4174.3146.70107.8S192 I193 D194 D195S192-K215 WeakPolarHBondContact O-CB 3.11Å; S192-K215 PolarHBondContact O-N 3.3Å; I193-K215 WeakPolarHBondContact O-CD 3.04Å; I193-K215 WeakPolarHBondContact O-CE 3.31Å; I193-K215 PolarHBondContact O-NZ 2.9Å; D194-K215 HydrophobicContact CB-CG 4.24Å; D195-K215 IonicContact OD1-NZ 2.9Å; D195-K215 PolarHBondContact OD1-NZ 3.11Å
216V75.2Confident87.8Confident39 Ų3939 Ų3924%0.23620%0.198CC..  trans-88.9121.2177.4-169.90000109.4Y47 V214 Q220 L222Y47-V216 HydrophobicContact CD1-CG1 3.76Å; Y47-V216 HydrophobicContact CE1-CB 3.86Å; Y47-V216 HydrophobicContact CE1-CG1 3.5Å; Y47-V216 HydrophobicContact CE1-CG2 3.6Å; V214-V216 VanDerWaalsContact C-N 3.34Å; V214-V216 HydrophobicContact CB-CG2 4.21Å; V214-V216 HydrophobicContact CG2-CG2 3.3Å; V214-V216 PolarHBondContact O-N 3.22Å; V214-V216 VanDerWaalsContact O-N 3.08Å; V216-Q220 HydrophobicContact CG1-CB 3.81Å; V216-L222 HydrophobicContact CG1-CD1 4.24Å; V216-L222 HydrophobicContact CG2-CD1 4.15Å
217D71.8Confident87.3Confident106 Ų10641.5 Ų41.557%0.56721%0.214SC*.  trans-65.3140.1167.8-75.6-21.7000109.6N219 Q220D217-N219 PolarHBondContact O-N 2.72Å; D217-Q220 WeakPolarHBondContact O-CB 3.07Å; D217-Q220 PolarHBondContact O-N 3.07Å
218Q61.8Low86.9Confident194 Ų19441.9 Ų41.991%0.90722%0.219SC*.THydrogen-bonded Turntrans-55.8-18.3179.2-66.3-179-500113.7
219N60.9Low86.6Confident58 Ų5842.8 Ų42.831%0.3122%0.223SC..THydrogen-bonded Turntrans-93.59.5-179.9-68.1-25.4000113.3D217 K235D217-N219 PolarHBondContact O-N 2.72Å; N219-K235 WeakPolarHBondContact O-CE 3.17Å; N219-K235 PolarHBondContact O-NZ 3.17Å
220Q74.1Confident86.3Confident23 Ų2342.7 Ų42.711%0.10722%0.223CC..  trans-100.9116.5-175.2-151.5164.92800111.7V216 D217 L222 L329V216-Q220 HydrophobicContact CG1-CB 3.81Å; D217-Q220 WeakPolarHBondContact O-CB 3.07Å; D217-Q220 PolarHBondContact O-N 3.07Å; Q220-L222 HydrophobicContact CG-CD2 3.89Å; Q220-L222 HydrophobicContact CG-CG 4.38Å; Q220-L222 PolarHBondContact O-N 3.3Å; Q220-L329 PolarHBondContact NE2-O 2.77Å
221S87.3Confident86.2Confident8 Ų842.8 Ų42.86%0.05622%0.224CC..  trans-92.376.3-179.4-60.50000110.5R233S221-R233 WeakPolarHBondContact CB-O 3.04Å; S221-R233 PolarHBondContact O-N 2.83Å
222L91.8Very high86.1Confident0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-71.2142.7174.2-53.3-178.5000111.8Y47 V139 V216 Q220 V230 A231 V232 L329Y47-L222 VanDerWaalsContact CB-O 3.29Å; Y47-L222 WeakPolarHBondContact CB-O 3.4Å; Y47-L222 HydrophobicContact CD1-CB 4.01Å; Y47-L222 HydrophobicContact CD1-CD1 3.81Å; Y47-L222 HydrophobicContact CD1-CG 3.93Å; Y47-L222 HydrophobicContact CD2-CB 3.96Å; Y47-L222 HydrophobicContact CD2-CD1 4.41Å; Y47-L222 HydrophobicContact CE1-CD1 3.71Å; Y47-L222 HydrophobicContact CE1-CG 4.34Å; Y47-L222 HydrophobicContact CE2-CD1 4.27Å; Y47-L222 HydrophobicContact CG-CB 3.66Å; Y47-L222 HydrophobicContact CG-CD1 4.21Å; Y47-L222 HydrophobicContact CG-CG 4.12Å; V139-L222 HydrophobicContact CB-CD1 4.32Å; V139-L222 HydrophobicContact CG2-CD1 4.07Å; V216-L222 HydrophobicContact CG1-CD1 4.24Å; V216-L222 HydrophobicContact CG2-CD1 4.15Å; Q220-L222 HydrophobicContact CG-CD2 3.89Å; Q220-L222 HydrophobicContact CG-CG 4.38Å; Q220-L222 PolarHBondContact O-N 3.3Å; L222-V230 HydrophobicContact CD2-CG1 4.29Å; L222-A231 CarbonylContact C-O 3.6Å; L222-A231 WeakPolarHBondContact CA-O 3.5Å; L222-V232 HydrophobicContact CD2-CG2 4.26Å; L222-L329 HydrophobicContact CD1-CD2 3.71Å; L222-L329 HydrophobicContact CD2-CD2 3.54Å; L222-L329 HydrophobicContact CG-CD2 4.3Å
223T93Very high86Confident11 Ų1143.2 Ų43.27%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-140.2179.9172.8-171.90000108.9A231 R233T223-A231 HydrophobicContact CG2-CB 3.97Å; T223-A231 PolarHBondContact N-O 3.46Å; T223-A231 PolarHBondContact O-N 3.17Å; T223-R233 HydrophobicContact CG2-CB 4.27Å
224L93Very high86Confident18 Ų1841.7 Ų41.79%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-114.1139.9169-57175.5000109W51 T54 W58 V133 Q229 V230W51-L224 HydrophobicContact CH2-CD1 4.31Å; W51-L224 HydrophobicContact CH2-CD2 4.12Å; W51-L224 HydrophobicContact CH2-CG 4.01Å; W51-L224 HydrophobicContact CZ3-CD2 4.38Å; W51-L224 HydrophobicContact CZ3-CG 3.96Å; T54-L224 HydrophobicContact CG2-CB 3.83Å; T54-L224 HydrophobicContact CG2-CD1 4.28Å; T54-L224 HydrophobicContact CG2-CG 4.01Å; W58-L224 HydrophobicContact CB-CD1 3.46Å; W58-L224 VanDerWaalsContact CB-CD1 3.46Å; W58-L224 HydrophobicContact CD2-CD1 4.19Å; W58-L224 HydrophobicContact CG-CD1 3.56Å; V133-L224 HydrophobicContact CG2-CD1 4.02Å; L224-Q229 WeakPolarHBondContact CA-O 3.42Å; L224-V230 HydrophobicContact CD2-CG2 3.82Å
225N91.1Very high85.9Confident32 Ų3241.8 Ų41.817%0.17121%0.213CC..  trans-79.1179.4171.272.35.6000110.9S227 G228 Q229 A231N225-S227 PolarHBondContact ND2-OG 2.82Å; N225-S227 PolarHBondContact O-N 3.5Å; N225-S227 PolarHBondContact OD1-N 2.98Å; N225-S227 PolarHBondContact OD1-OG 3.37Å; N225-G228 PolarHBondContact O-N 2.98Å; N225-G228 PolarHBondContact OD1-N 3.36Å; N225-Q229 PolarHBondContact N-O 2.85Å; N225-Q229 PolarHBondContact ND2-OE1 2.77Å; N225-Q229 PolarHBondContact OD1-N 3.22Å; N225-Q229 PolarHBondContact OD1-O 3.4Å; N225-A231 HydrophobicContact CB-CB 4.45Å
226E85.3Confident85.7Confident132 Ų13238.3 Ų38.362%0.61720%0.202SC*.THydrogen-bonded Turntrans-63.3-22.1-179.3-56.6-167.8161.100114.1G228 R298E226-G228 VanDerWaalsContact C-N 3.32Å; E226-R298 WeakPolarHBondContact OE1-CD 3.39Å; E226-R298 IonicContact OE1-CZ 2.83Å; E226-R298 IonicContact OE1-NH1 3.81Å; E226-R298 PolarHBondContact OE1-NH1 2.88Å
227S86.2Confident86.1Confident58 Ų5841.1 Ų41.141%0.40622%0.216SC..THydrogen-bonded Turntrans-89.32.3174.9710000113R72 N225 Q229R72-S227 PolarHBondContact NH1-O 2.68Å; N225-S227 PolarHBondContact ND2-OG 2.82Å; N225-S227 PolarHBondContact O-N 3.5Å; N225-S227 PolarHBondContact OD1-N 2.98Å; N225-S227 PolarHBondContact OD1-OG 3.37Å; S227-Q229 VanDerWaalsContact C-N 3.32Å; S227-Q229 PolarHBondContact OG-OE1 2.82Å
228G89.3Confident86.6Confident12 Ų1241.8 Ų41.812%0.12422%0.22CC..SBendtrans75.816.2-179.700000114.7N225 E226N225-G228 PolarHBondContact O-N 2.98Å; N225-G228 PolarHBondContact OD1-N 3.36Å; E226-G228 VanDerWaalsContact C-N 3.32Å
229Q91.7Very high87.7Confident18 Ų1836.6 Ų36.68%0.08420%0.195CC..  trans-86.1148.7173-63.6168.5-44.600110D129 L224 N225 S227 A231D129-Q229 PolarHBondContact OD1-NE2 2.86Å; L224-Q229 WeakPolarHBondContact CA-O 3.42Å; N225-Q229 PolarHBondContact N-O 2.85Å; N225-Q229 PolarHBondContact ND2-OE1 2.77Å; N225-Q229 PolarHBondContact OD1-N 3.22Å; N225-Q229 PolarHBondContact OD1-O 3.4Å; S227-Q229 VanDerWaalsContact C-N 3.32Å; S227-Q229 PolarHBondContact OG-OE1 2.82Å; Q229-A231 PolarHBondContact O-N 3.03Å
230V93.1Very high88.9Confident3 Ų335.4 Ų35.42%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-63.6137.5175.4175.40000110.5V139 L222 L224 N287 L329V139-V230 HydrophobicContact CG1-CG2 3.89Å; V139-V230 HydrophobicContact CG2-CG2 3.87Å; L222-V230 HydrophobicContact CD2-CG1 4.29Å; L224-V230 HydrophobicContact CD2-CG2 3.82Å; V230-N287 PolarHBondContact O-ND2 3.03Å; V230-L329 HydrophobicContact CG1-CD2 3.8Å
231A94.5Very high89.4Confident2 Ų242 Ų422%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-141.9168.1178.800000110.1L222 T223 N225 Q229 C285 V286 N287L222-A231 CarbonylContact C-O 3.6Å; L222-A231 WeakPolarHBondContact CA-O 3.5Å; T223-A231 HydrophobicContact CG2-CB 3.97Å; T223-A231 PolarHBondContact N-O 3.46Å; T223-A231 PolarHBondContact O-N 3.17Å; N225-A231 HydrophobicContact CB-CB 4.45Å; Q229-A231 PolarHBondContact O-N 3.03Å; A231-C285 WeakPolarHBondContact CB-SG 3.04Å; A231-V286 CarbonylContact C-O 3.59Å; A231-V286 WeakPolarHBondContact CA-O 3.29Å; A231-V286 WeakPolarHBondContact CB-O 3.34Å; A231-N287 HydrophobicContact CB-CB 4.11Å
232V94.3Very high89.2Confident7 Ų745.4 Ų45.44%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-108.6124177.4179.30000108.8L222 V286 V331 A333L222-V232 HydrophobicContact CD2-CG2 4.26Å; V232-V286 HydrophobicContact CB-CB 4.43Å; V232-V286 PolarHBondContact N-O 3Å; V232-V286 PolarHBondContact O-N 3.33Å; V232-V331 HydrophobicContact CG2-CB 4.08Å; V232-V331 HydrophobicContact CG2-CG1 4.43Å; V232-A333 HydrophobicContact CG1-CB 4.1Å
233R94.5Very high88.8Confident33 Ų3346 Ų4613%0.12525%0.249CC..PPolyproline II helixtrans-79.4128.7165.5-178.7179.3-74.2160.14.7108.7D50 S221 T223 P281D50-R233 IonicContact OD1-CZ 3.48Å; D50-R233 IonicContact OD1-NH1 2.71Å; D50-R233 PolarHBondContact OD1-NH1 3.16Å; D50-R233 IonicContact OD1-NH2 2.74Å; D50-R233 PolarHBondContact OD1-NH2 2.97Å; D50-R233 IonicContact OD2-CZ 3.55Å; D50-R233 IonicContact OD2-NH1 3.42Å; D50-R233 PolarHBondContact OD2-NH1 2.85Å; D50-R233 IonicContact OD2-NH2 3.78Å; D50-R233 PolarHBondContact OD2-NH2 2.81Å; S221-R233 WeakPolarHBondContact CB-O 3.04Å; S221-R233 PolarHBondContact O-N 2.83Å; T223-R233 HydrophobicContact CG2-CB 4.27Å; R233-P281 WeakPolarHBondContact CG-O 3.44Å
234P94.9Very high88.4Confident0 Ų048.4 Ų48.40%027%0.265CS..PPolyproline II helixtrans-59.5142.6173.7-23.634.9000112.1P281 L284 V286 A333 V335 L340P234-P281 WeakPolarHBondContact O-CB 3.19Å; P234-L284 WeakPolarHBondContact CD-O 3.4Å; P234-L284 HydrophobicContact CG-CB 3.75Å; P234-L284 HydrophobicContact CG-CD1 4.23Å; P234-V286 HydrophobicContact CG-CG2 4.27Å; P234-A333 WeakPolarHBondContact CA-O 3.32Å; P234-A333 HydrophobicContact CB-CB 4.24Å; P234-A333 HydrophobicContact CG-CB 4.24Å; P234-V335 HydrophobicContact CB-CG2 3.9Å; P234-L340 HydrophobicContact CB-CD1 4.08Å; P234-L340 HydrophobicContact CG-CD1 3.3Å; P234-L340 HydrophobicContact CG-CG 4.38Å
235K91.5Very high88.1Confident21 Ų2152.1 Ų52.19%0.09130%0.298CS..BIsolated β-bridgetrans-69.5141.4173.5-63.2174.5-178.2168.80111N219 Q239 I240 V243 A333 Q334 V335N219-K235 WeakPolarHBondContact O-CE 3.17Å; N219-K235 PolarHBondContact O-NZ 3.17Å; K235-Q239 HydrophobicContact CB-CB 4.05Å; K235-Q239 HydrophobicContact CG-CB 4.43Å; K235-I240 HydrophobicContact CB-CG1 3.83Å; K235-V243 HydrophobicContact CD-CG2 3.7Å; K235-A333 PolarHBondContact N-O 3.16Å; K235-Q334 HydrophobicContact CB-CG 4.21Å; K235-Q334 HydrophobicContact CD-CG 4.22Å; K235-V335 PolarHBondContact O-N 2.85Å; K235-V335 VanDerWaalsContact O-N 3.13Å
236S83.6Confident87.7Confident30 Ų3056 Ų5621%0.2133%0.327CS..PPolyproline II helixtrans-77161.5167.963.40000112.4N238 Q239 I240S236-N238 PolarHBondContact O-N 2.86Å; S236-N238 VanDerWaalsContact O-N 3.09Å; S236-Q239 PolarHBondContact O-N 3.37Å; S236-Q239 WeakPolarHBondContact OG-CG 3.31Å; S236-Q239 PolarHBondContact OG-N 3.28Å; S236-Q239 PolarHBondContact OG-OE1 2.9Å; S236-I240 VanDerWaalsContact O-CG1 3.3Å; S236-I240 WeakPolarHBondContact O-CG1 3.37Å; S236-I240 PolarHBondContact O-N 3.45Å
237D84.5Confident87.6Confident97 Ų9753.9 Ų53.952%0.51932%0.317SS..Hα-helixtrans-49.8-38175.5-72.1-22.6000113.3K241D237-K241 WeakPolarHBondContact O-CG 3.47Å; D237-K241 PolarHBondContact O-N 2.75Å
238N82.4Confident87.7Confident121 Ų12152.9 Ų52.965%0.64731%0.313SS*.Hα-helixtrans-70.6-38179.2-72.2-22.3000112.2S236 K241S236-N238 PolarHBondContact O-N 2.86Å; S236-N238 VanDerWaalsContact O-N 3.09Å; N238-K241 PolarHBondContact OD1-NZ 2.83Å
239Q85.4Confident87.9Confident84 Ų8453 Ų5339%0.39331%0.31SS..Hα-helixtrans-71.5-36.9175.5-70.2166.9-46.900111.5K235 S236 K241 A242 V243K235-Q239 HydrophobicContact CB-CB 4.05Å; K235-Q239 HydrophobicContact CG-CB 4.43Å; S236-Q239 PolarHBondContact O-N 3.37Å; S236-Q239 WeakPolarHBondContact OG-CG 3.31Å; S236-Q239 PolarHBondContact OG-N 3.28Å; S236-Q239 PolarHBondContact OG-OE1 2.9Å; Q239-K241 VanDerWaalsContact C-N 3.27Å; Q239-K241 PolarHBondContact O-N 2.78Å; Q239-A242 WeakPolarHBondContact O-CB 3.48Å; Q239-A242 PolarHBondContact O-N 3.14Å; Q239-V243 PolarHBondContact O-N 2.97Å
240I84.5Confident87.8Confident33 Ų3356.9 Ų56.917%0.16934%0.335CS..Hα-helixtrans-60.1-37.8177.7-64.5165.1000110.8K235 S236 A242 V243 Q334 V335K235-I240 HydrophobicContact CB-CG1 3.83Å; S236-I240 VanDerWaalsContact O-CG1 3.3Å; S236-I240 WeakPolarHBondContact O-CG1 3.37Å; S236-I240 PolarHBondContact O-N 3.45Å; I240-A242 PolarHBondContact O-N 3.34Å; I240-A242 VanDerWaalsContact O-N 3.13Å; I240-V243 WeakPolarHBondContact O-CB 3.34Å; I240-V243 PolarHBondContact O-N 3.31Å; I240-Q334 HydrophobicContact CD1-CB 3.84Å; I240-Q334 HydrophobicContact CD1-CG 4.35Å; I240-Q334 HydrophobicContact CG1-CB 4.22Å; I240-Q334 HydrophobicContact CG1-CG 4.18Å; I240-V335 VanDerWaalsContact CD1-O 3.31Å; I240-V335 WeakPolarHBondContact CD1-O 3.4Å
241K85.2Confident87.8Confident163 Ų16358.5 Ų58.571%0.70935%0.349SS*.THydrogen-bonded Turntrans-59.4-24.8175.7-69.4167.4-169.9166.70114D237 N238 Q239D237-K241 WeakPolarHBondContact O-CG 3.47Å; D237-K241 PolarHBondContact O-N 2.75Å; N238-K241 PolarHBondContact OD1-NZ 2.83Å; Q239-K241 VanDerWaalsContact C-N 3.27Å; Q239-K241 PolarHBondContact O-N 2.78Å
242A83.6Confident87.7Confident78 Ų7863.4 Ų63.465%0.64537%0.37SS*.THydrogen-bonded Turntrans-88.8-10.7176.600000113.1Q239 I240Q239-A242 WeakPolarHBondContact O-CB 3.48Å; Q239-A242 PolarHBondContact O-N 3.14Å; I240-A242 PolarHBondContact O-N 3.34Å; I240-A242 VanDerWaalsContact O-N 3.13Å
243V82.3Confident87.7Confident13 Ų1365.8 Ų65.88%0.07940%0.396CS..SBendtrans-80.6134.8179179.40000109.5K235 Q239 I240 A245 Q247K235-V243 HydrophobicContact CD-CG2 3.7Å; Q239-V243 PolarHBondContact O-N 2.97Å; I240-V243 WeakPolarHBondContact O-CB 3.34Å; I240-V243 PolarHBondContact O-N 3.31Å; V243-A245 PolarHBondContact O-N 3.19Å; V243-Q247 HydrophobicContact CG1-CB 3.54Å
244P86.2Confident87.6Confident62 Ų6268.3 Ų68.340%0.40342%0.415SS..  trans-54.2140171.9-25.534.2000111.5S246 Q247 A248P244-S246 PolarHBondContact O-N 3.2Å; P244-Q247 PolarHBondContact O-N 3.34Å; P244-A248 PolarHBondContact O-N 3.31Å
245A85Confident87.6Confident95 Ų9574 Ų7479%0.78544%0.441SS*.G310 helixtrans-55.1-29.3-17700000113.6V243 Q247 A248V243-A245 PolarHBondContact O-N 3.19Å; A245-Q247 PolarHBondContact O-N 2.96Å; A245-A248 PolarHBondContact O-N 3.23Å
246S83.8Confident87.8Confident113 Ų11373.6 Ų73.679%0.7944%0.443SS*.G310 helixtrans-69.3-13.1175.759.30000114.7P244P244-S246 PolarHBondContact O-N 3.2Å
247Q83.5Confident88.3Confident88 Ų8874.8 Ų74.841%0.41145%0.447SS..G310 helixtrans-114.5-3.9178.9-65.4179-2.200112.4V243 P244 A245 Q334V243-Q247 HydrophobicContact CG1-CB 3.54Å; P244-Q247 PolarHBondContact O-N 3.34Å; A245-Q247 PolarHBondContact O-N 2.96Å; Q247-Q334 PolarHBondContact O-NE2 2.93Å; Q247-Q334 VanDerWaalsContact O-NE2 3.15Å
248A88.6Confident88.8Confident37 Ų3771.4 Ų71.431%0.30643%0.431SS..  trans-69.9134.8174.900000109.8P244 A245P244-A248 PolarHBondContact O-N 3.31Å; A245-A248 PolarHBondContact O-N 3.23Å
249L92.2Very high89.3Confident15 Ų1570.5 Ų70.58%0.07942%0.419CS..  trans-88.8146.3177.3-60-176.5000109.7S332 Q334 V341 E343L249-S332 WeakPolarHBondContact CD1-O 3.25Å; L249-Q334 HydrophobicContact CB-CB 4.37Å; L249-Q334 HydrophobicContact CB-CG 4.29Å; L249-Q334 HydrophobicContact CD1-CB 4.39Å; L249-Q334 HydrophobicContact CD1-CG 4.07Å; L249-Q334 HydrophobicContact CG-CG 4.12Å; L249-V341 HydrophobicContact CB-CB 4.22Å; L249-V341 HydrophobicContact CB-CG1 3.91Å; L249-V341 HydrophobicContact CD1-CG1 4.31Å; L249-V341 WeakPolarHBondContact CD1-O 3.21Å; L249-E343 HydrophobicContact CD2-CB 3.99Å; L249-E343 HydrophobicContact CD2-CG 3.88Å
250V91.2Very high89.5Confident100 Ų10068 Ų6861%0.60641%0.409SS*.  trans-122.3128.3-178.2-178.40000109K252 H270V250-K252 PolarHBondContact O-N 3.29Å; V250-H270 PolarHBondContact O-CE1 3.27Å
251A92.5Very high89.6Confident37 Ų3771.9 Ų71.931%0.30643%0.43SS..  trans-70.8126.1169.500000109.6V341A251-V341 HydrophobicContact CB-CG2 3.87Å
252K93.1Very high89.4Confident105 Ų10567.1 Ų67.146%0.45741%0.413SS..  trans-93.8-10.6178-55.7-179.4-177.4-176.90112.2V250 E272V250-K252 PolarHBondContact O-N 3.29Å; K252-E272 VanDerWaalsContact CA-OE1 3.27Å; K252-E272 WeakPolarHBondContact CA-OE1 3.47Å; K252-E272 VanDerWaalsContact CB-OE1 3.31Å; K252-E272 WeakPolarHBondContact CB-OE1 3.27Å; K252-E272 PolarHBondContact N-OE1 2.95Å
253G93.3Very high89.2Confident57 Ų5767 Ų6759%0.58842%0.419SS*.SBendtrans82.316.1-179.700000113.3E272G253-E272 WeakPolarHBondContact CA-OE2 3.34Å; G253-E272 PolarHBondContact N-OE1 3.44Å; G253-E272 PolarHBondContact N-OE2 3.02Å
254V93Very high89Confident86 Ų8671.1 Ų71.152%0.52145%0.449SS..  trans-109.494.3176.4-176.70000108.3E272V254-E272 PolarHBondContact N-OE1 2.87Å; V254-E272 PolarHBondContact N-OE2 3.21Å
255H94.4Very high88.3Confident118 Ų11870.8 Ų70.855%0.54646%0.456SS..  trans-64.1142179.4-59.8-40.9000112.4P274H255-P274 HydrophobicContact CB-CG 4.46Å
256G95.5Very high88Confident13 Ų1366.7 Ų66.713%0.13442%0.423CS..EExtended strand (participates in β ladder)trans92.5-162.3-176.700000113.2V271 E272G256-V271 WeakPolarHBondContact O-CA 2.97Å; G256-E272 PolarHBondContact N-O 3.21Å; G256-E272 PolarHBondContact O-N 2.87Å; G256-E272 VanDerWaalsContact O-N 3.15Å
257L94.7Very high88.1Confident55 Ų5567.8 Ų67.829%0.28841%0.414SS..EExtended strand (participates in β ladder)trans-82.8130.7-175.6171.761.4000111.7L269 V271 Y320 A321 I322L257-L269 HydrophobicContact CD1-CD1 3.23Å; L257-L269 HydrophobicContact CD1-CG 3.88Å; L257-V271 HydrophobicContact CB-CG2 4.45Å; L257-V271 HydrophobicContact CD1-CG2 3.74Å; L257-Y320 HydrophobicContact CB-CD1 3.86Å; L257-Y320 HydrophobicContact CB-CG 4.3Å; L257-A321 WeakPolarHBondContact CD2-O 3.46Å; L257-I322 HydrophobicContact CD2-CG2 4.38Å
258S94.9Very high88.4Confident26 Ų2667.3 Ų67.318%0.18241%0.408CS..EExtended strand (participates in β ladder)trans-140.7178.7170.968.80000110.9H270S258-H270 CarbonylContact C-O 3.57Å; S258-H270 PolarHBondContact N-O 3.38Å; S258-H270 PolarHBondContact O-N 2.76Å; S258-H270 VanDerWaalsContact O-O 3.07Å; S258-H270 PolarHBondContact OG-CD2 3.13Å; S258-H270 PolarHBondContact OG-O 2.89Å
259Y91.8Very high88.7Confident102 Ų10265.5 Ų65.540%0.439%0.394SS..EExtended strand (participates in β ladder)trans-128.1147.8177.7-57.1-83.4000110.6R268 L269 P323 L346Y259-R268 VanDerWaalsContact CA-O 3.31Å; Y259-R268 WeakPolarHBondContact CA-O 3.35Å; Y259-L269 HydrophobicContact CE1-CD1 4.25Å; Y259-P323 HydrophobicContact CE1-CG 4.19Å; Y259-P323 WeakPolarHBondContact OH-CD 3.49Å; Y259-P323 WeakPolarHBondContact OH-CG 3.45Å; Y259-L346 HydrophobicContact CD1-CD1 3.85Å; Y259-L346 HydrophobicContact CE1-CD1 3.81Å
260V90.7Very high88.8Confident32 Ų3264.8 Ų64.819%0.19439%0.39CS..EExtended strand (participates in β ladder)trans-126.2142.1180-160.80000108.6K267 R268 H270V260-K267 CarbonylContact O-C 3.56Å; V260-K267 WeakPolarHBondContact O-CA 3.41Å; V260-R268 PolarHBondContact N-O 2.93Å; V260-R268 PolarHBondContact O-N 2.86Å; V260-H270 HydrophobicContact CG2-CB 3.39Å
261D86.9Confident89.1Confident114 Ų11460 Ų6061%0.6136%0.361SS*.EExtended strand (participates in β ladder)trans-67.7136.2170.4-158.8-51.9000109.5G263D261-G263 VanDerWaalsContact C-N 3.27Å; D261-G263 WeakPolarHBondContact OD1-CA 3.49Å; D261-G263 PolarHBondContact OD1-N 3.03Å
262D80.9Confident89.3Confident63 Ų6358.3 Ų58.334%0.33735%0.347SS..  trans-85.40.6176.871.910.4000113.6S264 G265 G266 R268D262-S264 PolarHBondContact O-N 3.42Å; D262-S264 VanDerWaalsContact OD1-CA 3.31Å; D262-S264 WeakPolarHBondContact OD1-CA 3.49Å; D262-S264 WeakPolarHBondContact OD1-CB 3.41Å; D262-S264 PolarHBondContact OD1-N 2.88Å; D262-S264 PolarHBondContact OD1-OG 3.3Å; D262-S264 PolarHBondContact OD2-OG 3.08Å; D262-G265 PolarHBondContact OD1-N 3.11Å; D262-G266 VanDerWaalsContact CG-CA 3.41Å; D262-G266 PolarHBondContact N-O 3.41Å; D262-G266 VanDerWaalsContact N-O 3.14Å; D262-G266 WeakPolarHBondContact OD1-CA 3.43Å; D262-G266 PolarHBondContact OD1-N 3.08Å; D262-G266 WeakPolarHBondContact OD2-CA 3.4Å; D262-G266 PolarHBondContact OD2-N 2.92Å; D262-R268 HydrophobicContact CB-CG 4.02Å
263G78.4Confident89.5Confident75 Ų7553.4 Ų53.477%0.77333%0.325SS*.SBendtrans80-6.7-178.300000114.2D261D261-G263 VanDerWaalsContact C-N 3.27Å; D261-G263 WeakPolarHBondContact OD1-CA 3.49Å; D261-G263 PolarHBondContact OD1-N 3.03Å
264S77.6Confident89.6Confident101 Ų10154.1 Ų54.171%0.70632%0.32SS*.SBendtrans-114.811.7179.2700000113.1D262 G266D262-S264 PolarHBondContact O-N 3.42Å; D262-S264 VanDerWaalsContact OD1-CA 3.31Å; D262-S264 WeakPolarHBondContact OD1-CA 3.49Å; D262-S264 WeakPolarHBondContact OD1-CB 3.41Å; D262-S264 PolarHBondContact OD1-N 2.88Å; D262-S264 PolarHBondContact OD1-OG 3.3Å; D262-S264 PolarHBondContact OD2-OG 3.08Å; S264-G266 VanDerWaalsContact C-N 3.34Å
265G73Confident89.7Confident55 Ų5550.6 Ų50.657%0.56730%0.298SS*.SBendtrans80.214.4-17700000113.8D262 K348D262-G265 PolarHBondContact OD1-N 3.11Å; G265-K348 PolarHBondContact O-NZ 3.38Å
266G77.9Confident89.8Confident9 Ų949.5 Ų49.59%0.09330%0.297CS..  trans-100.9179.4164.200000111.7D262 S264D262-G266 VanDerWaalsContact CG-CA 3.41Å; D262-G266 PolarHBondContact N-O 3.41Å; D262-G266 VanDerWaalsContact N-O 3.14Å; D262-G266 WeakPolarHBondContact OD1-CA 3.43Å; D262-G266 PolarHBondContact OD1-N 3.08Å; D262-G266 WeakPolarHBondContact OD2-CA 3.4Å; D262-G266 PolarHBondContact OD2-N 2.92Å; S264-G266 VanDerWaalsContact C-N 3.34Å
267K85.8Confident89.6Confident136 Ų13653.8 Ų53.859%0.59132%0.322SS*.EExtended strand (participates in β ladder)trans-124.8141.9-179.9-70.4-176.3-179.1-178.70109.6V260 L346V260-K267 CarbonylContact O-C 3.56Å; V260-K267 WeakPolarHBondContact O-CA 3.41Å; K267-L346 HydrophobicContact CB-CD1 4.02Å; K267-L346 PolarHBondContact O-N 2.88Å; K267-L346 VanDerWaalsContact O-N 3.12Å
268R90.6Very high89.6Confident77 Ų7753 Ų5329%0.29132%0.319SS..EExtended strand (participates in β ladder)trans-105.6139.9167.2-65.7169.872.3109.29.4109.2Y259 V260 D262 E343 A344Y259-R268 VanDerWaalsContact CA-O 3.31Å; Y259-R268 WeakPolarHBondContact CA-O 3.35Å; V260-R268 PolarHBondContact N-O 2.93Å; V260-R268 PolarHBondContact O-N 2.86Å; D262-R268 HydrophobicContact CB-CG 4.02Å; R268-E343 IonicContact CZ-OE2 3.64Å; R268-E343 IonicContact NE-OE2 2.79Å; R268-E343 PolarHBondContact NE-OE2 2.92Å; R268-E343 IonicContact NH2-OE2 3.79Å; R268-E343 PolarHBondContact NH2-OE2 2.76Å; R268-A344 CarbonylContact C-O 3.5Å; R268-A344 VanDerWaalsContact CA-O 3.28Å; R268-A344 WeakPolarHBondContact CA-O 3.5Å
269L93.3Very high89.6Confident0 Ų053.1 Ų53.10%032%0.316CS..EExtended strand (participates in β ladder)trans-61.1138.2160.3-166.981.8000109.1L257 Y259 V271 V293 I322 L342 E343 A344 L346L257-L269 HydrophobicContact CD1-CD1 3.23Å; L257-L269 HydrophobicContact CD1-CG 3.88Å; Y259-L269 HydrophobicContact CE1-CD1 4.25Å; L269-V271 HydrophobicContact CD2-CG2 4.12Å; L269-V271 HydrophobicContact CG-CG2 4.16Å; L269-V293 HydrophobicContact CD2-CG2 3.51Å; L269-I322 HydrophobicContact CD1-CB 4.24Å; L269-I322 HydrophobicContact CD1-CG2 3.39Å; L269-I322 HydrophobicContact CD2-CG2 4.12Å; L269-I322 HydrophobicContact CG-CG2 4.41Å; L269-L342 HydrophobicContact CD2-CD1 3.92Å; L269-E343 WeakPolarHBondContact O-CA 3.47Å; L269-E343 WeakPolarHBondContact O-CB 3.22Å; L269-A344 HydrophobicContact CB-CB 4.44Å; L269-A344 WeakPolarHBondContact CB-O 3.43Å; L269-A344 PolarHBondContact N-O 2.84Å; L269-A344 PolarHBondContact O-N 2.96Å; L269-L346 HydrophobicContact CB-CD2 4.31Å; L269-L346 HydrophobicContact CD1-CD2 4.36Å
270H95.4Very high89.6Confident0 Ų053.6 Ų53.60%032%0.32CS..EExtended strand (participates in β ladder)trans-138.8122.7168.7-179.497.9000109.9V250 S258 V260 E272 V341 L342 E343V250-H270 PolarHBondContact O-CE1 3.27Å; S258-H270 CarbonylContact C-O 3.57Å; S258-H270 PolarHBondContact N-O 3.38Å; S258-H270 PolarHBondContact O-N 2.76Å; S258-H270 VanDerWaalsContact O-O 3.07Å; S258-H270 PolarHBondContact OG-CD2 3.13Å; S258-H270 PolarHBondContact OG-O 2.89Å; V260-H270 HydrophobicContact CG2-CB 3.39Å; H270-E272 IonicContact NE2-OE1 3.37Å; H270-E272 PolarHBondContact NE2-OE1 3.3Å; H270-V341 VanDerWaalsContact CE1-CG1 3.45Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.26Å; H270-L342 WeakPolarHBondContact CA-O 3.43Å; H270-E343 HydrophobicContact CB-CG 4.11Å; H270-E343 IonicContact CE1-OE1 2.68Å; H270-E343 IonicContact CG-OE1 3.19Å; H270-E343 WeakPolarHBondContact ND1-CG 3.28Å; H270-E343 IonicContact ND1-OE1 2.68Å; H270-E343 PolarHBondContact ND1-OE1 3.39Å
271V96.8Very high89.7Confident0 Ų053.2 Ų53.20%032%0.318CS..EExtended strand (participates in β ladder)trans-127129.7179.9-170.70000109.9G256 L257 L269 V273 Y320 V341 L342G256-V271 WeakPolarHBondContact O-CA 2.97Å; L257-V271 HydrophobicContact CB-CG2 4.45Å; L257-V271 HydrophobicContact CD1-CG2 3.74Å; L269-V271 HydrophobicContact CD2-CG2 4.12Å; L269-V271 HydrophobicContact CG-CG2 4.16Å; V271-V273 HydrophobicContact CG1-CG2 3.97Å; V271-Y320 HydrophobicContact CG1-CD1 4.47Å; V271-Y320 HydrophobicContact CG1-CD2 3.72Å; V271-Y320 HydrophobicContact CG1-CE1 4.27Å; V271-Y320 HydrophobicContact CG1-CE2 3.47Å; V271-Y320 VanDerWaalsContact CG1-CE2 3.47Å; V271-Y320 HydrophobicContact CG1-CG 4.2Å; V271-V341 WeakPolarHBondContact O-CA 3.05Å; V271-L342 HydrophobicContact CB-CD1 4.03Å; V271-L342 HydrophobicContact CB-CD2 3.9Å; V271-L342 HydrophobicContact CB-CG 3.75Å; V271-L342 HydrophobicContact CG1-CD2 4.43Å; V271-L342 HydrophobicContact CG2-CD1 3.87Å; V271-L342 HydrophobicContact CG2-CD2 4.43Å; V271-L342 HydrophobicContact CG2-CG 4.19Å; V271-L342 PolarHBondContact N-O 2.86Å; V271-L342 PolarHBondContact O-N 3.18Å
272E97.5Very high90Very high1 Ų152.3 Ų52.31%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-112.3123171.4-69.6-177.8-14200110.5K252 G253 V254 G256 H270 T339 L340 V341K252-E272 VanDerWaalsContact CA-OE1 3.27Å; K252-E272 WeakPolarHBondContact CA-OE1 3.47Å; K252-E272 VanDerWaalsContact CB-OE1 3.31Å; K252-E272 WeakPolarHBondContact CB-OE1 3.27Å; K252-E272 PolarHBondContact N-OE1 2.95Å; G253-E272 WeakPolarHBondContact CA-OE2 3.34Å; G253-E272 PolarHBondContact N-OE1 3.44Å; G253-E272 PolarHBondContact N-OE2 3.02Å; V254-E272 PolarHBondContact N-OE1 2.87Å; V254-E272 PolarHBondContact N-OE2 3.21Å; G256-E272 PolarHBondContact N-O 3.21Å; G256-E272 PolarHBondContact O-N 2.87Å; G256-E272 VanDerWaalsContact O-N 3.15Å; H270-E272 IonicContact NE2-OE1 3.37Å; H270-E272 PolarHBondContact NE2-OE1 3.3Å; E272-T339 HydrophobicContact CB-CG2 3.83Å; E272-T339 HydrophobicContact CG-CG2 4.14Å; E272-L340 CarbonylContact C-O 3.56Å; E272-L340 WeakPolarHBondContact CA-O 3.43Å; E272-V341 HydrophobicContact CG-CG2 4.38Å
273V97Very high90.6Very high1 Ų150.9 Ų50.91%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-119.8118.4178.2-172.50000108.8V271 V275 V295 Y320 T339 L340V271-V273 HydrophobicContact CG1-CG2 3.97Å; V273-V275 WeakPolarHBondContact O-CG2 3.34Å; V273-V275 PolarHBondContact O-N 3Å; V273-V295 HydrophobicContact CG2-CB 4.37Å; V273-V295 HydrophobicContact CG2-CG1 4.42Å; V273-V295 HydrophobicContact CG2-CG2 4.02Å; V273-Y320 HydrophobicContact CG2-CE2 3.94Å; V273-T339 WeakPolarHBondContact O-CA 3.47Å; V273-L340 HydrophobicContact CB-CB 4.35Å; V273-L340 HydrophobicContact CB-CD2 4.21Å; V273-L340 HydrophobicContact CG2-CD2 4.06Å; V273-L340 PolarHBondContact N-O 3.14Å; V273-L340 PolarHBondContact O-N 2.83Å
274P96.2Very high91.4Very high73 Ų7347.5 Ų47.547%0.47427%0.267SS..EExtended strand (participates in β ladder)trans-60.3128.8168-20.732000110.1H255H255-P274 HydrophobicContact CB-CG 4.46Å
275V95Very high92.2Very high11 Ų1143.5 Ų43.57%0.06724%0.239CC..  trans-116.9128.9-179.2-178.70000109.5V273 Y279 L284 N338 L340V273-V275 WeakPolarHBondContact O-CG2 3.34Å; V273-V275 PolarHBondContact O-N 3Å; V275-Y279 HydrophobicContact CG1-CD2 4.11Å; V275-Y279 HydrophobicContact CG1-CG 4.25Å; V275-L284 HydrophobicContact CG1-CD1 4.16Å; V275-L284 HydrophobicContact CG1-CD2 4.16Å; V275-L284 HydrophobicContact CG2-CD1 4.27Å; V275-N338 PolarHBondContact N-O 3.22Å; V275-L340 HydrophobicContact CG2-CB 3.67Å
276D95.1Very high93.3Very high96 Ų9641 Ų4151%0.51321%0.212SC..  trans-59.4133.8173.4-174.7-70.1000109.6V278 Y279D276-V278 HydrophobicContact CB-CG1 4.26Å; D276-V278 PolarHBondContact O-N 3.43Å; D276-V278 VanDerWaalsContact OD1-CB 3.27Å; D276-V278 WeakPolarHBondContact OD1-CB 3.24Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.07Å; D276-V278 PolarHBondContact OD1-N 2.84Å; D276-Y279 HydrophobicContact CB-CD2 3.89Å; D276-Y279 HydrophobicContact CB-CE2 4Å; D276-Y279 PolarHBondContact O-N 2.94Å
277P93.1Very high94.1Very high102 Ų10241 Ų4166%0.66221%0.21SC*.THydrogen-bonded Turntrans-54.7-16.1-178.6-18.421.8000115.5Y279 N338P277-Y279 VanDerWaalsContact C-N 3.27Å; P277-N338 WeakPolarHBondContact CG-ND2 3.43Å
278V93.4Very high94.4Very high38 Ų3834.7 Ų34.723%0.2318%0.183CC..THydrogen-bonded Turntrans-67.4-27.7175.179.30000113.1D276 H299D276-V278 HydrophobicContact CB-CG1 4.26Å; D276-V278 PolarHBondContact O-N 3.43Å; D276-V278 VanDerWaalsContact OD1-CB 3.27Å; D276-V278 WeakPolarHBondContact OD1-CB 3.24Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.07Å; D276-V278 PolarHBondContact OD1-N 2.84Å; V278-H299 PolarHBondContact O-CE1 2.53Å; V278-H299 PolarHBondContact O-ND1 3.11Å
279Y95.2Very high94.3Very high30 Ų3033.7 Ų33.712%0.11818%0.183CC..  trans-85.3125178-61-81.9000110V275 D276 P277 D283 L284 H299 A314 E315 F316V275-Y279 HydrophobicContact CG1-CD2 4.11Å; V275-Y279 HydrophobicContact CG1-CG 4.25Å; D276-Y279 HydrophobicContact CB-CD2 3.89Å; D276-Y279 HydrophobicContact CB-CE2 4Å; D276-Y279 PolarHBondContact O-N 2.94Å; P277-Y279 VanDerWaalsContact C-N 3.27Å; Y279-D283 HydrophobicContact CD1-CB 4.1Å; Y279-L284 HydrophobicContact CD1-CD2 4.47Å; Y279-L284 HydrophobicContact CG-CD2 4.3Å; Y279-H299 HydrophobicContact CD1-CB 3.8Å; Y279-H299 HydrophobicContact CE1-CB 3.91Å; Y279-A314 HydrophobicContact CE1-CB 4.45Å; Y279-A314 WeakPolarHBondContact CE1-O 3.33Å; Y279-A314 WeakPolarHBondContact OH-CB 3.48Å; Y279-A314 PolarHBondContact OH-O 3.37Å; Y279-E315 WeakPolarHBondContact OH-CA 3.27Å; Y279-E315 PolarHBondContact OH-N 3.28Å; Y279-E315 VanDerWaalsContact OH-N 3.08Å; Y279-F316 HydrophobicContact CD1-CD1 4.43Å; Y279-F316 HydrophobicContact CD1-CE1 4.18Å; Y279-F316 HydrophobicContact CD2-CD1 4.21Å; Y279-F316 AromaticContact CD2-CE1 3.97Å; Y279-F316 HydrophobicContact CD2-CE1 3.97Å; Y279-F316 AromaticContact CE1-CD1 3.93Å; Y279-F316 HydrophobicContact CE1-CD1 3.93Å; Y279-F316 HydrophobicContact CE1-CE1 4.15Å; Y279-F316 AromaticContact CE2-CD1 3.7Å; Y279-F316 HydrophobicContact CE2-CD1 3.7Å; Y279-F316 AromaticContact CE2-CE1 3.96Å; Y279-F316 HydrophobicContact CE2-CE1 3.96Å; Y279-F316 HydrophobicContact CG-CE1 4.1Å; Y279-F316 AromaticContact CZ-CD1 3.55Å
280K92.8Very high93.8Very high112 Ų11234.2 Ų34.249%0.48719%0.187SC..  trans-91.5162.7169.2-57.7-179.4-177.5177.30110E282 D283K280-E282 HydrophobicContact CB-CG 4.07Å; K280-E282 VanDerWaalsContact CB-OE2 3.29Å; K280-E282 WeakPolarHBondContact CB-OE2 3.13Å; K280-E282 WeakPolarHBondContact CD-OE1 3.41Å; K280-E282 IonicContact NZ-OE1 3.94Å; K280-E282 PolarHBondContact O-N 2.9Å; K280-E282 VanDerWaalsContact O-N 3.13Å; K280-D283 PolarHBondContact N-OD2 3.49Å; K280-D283 WeakPolarHBondContact O-CA 3.2Å; K280-D283 WeakPolarHBondContact O-CB 3.21Å; K280-D283 PolarHBondContact O-N 2.95Å
281P92.6Very high93.3Very high23 Ų2338.4 Ų38.415%0.14921%0.21CC..G310 helixtrans-52.6-35.2176.6-26.335.1000113.7R233 P234 D283 L284 V335R233-P281 WeakPolarHBondContact CG-O 3.44Å; P234-P281 WeakPolarHBondContact O-CB 3.19Å; P281-D283 VanDerWaalsContact C-N 3.27Å; P281-D283 PolarHBondContact O-N 3.22Å; P281-L284 PolarHBondContact O-N 3.39Å; P281-L284 VanDerWaalsContact O-N 3.16Å; P281-V335 HydrophobicContact CB-CG2 4.36Å; P281-V335 HydrophobicContact CG-CB 4.35Å; P281-V335 HydrophobicContact CG-CG2 4.06Å
282E91.4Very high93Very high95 Ų9543.9 Ų43.944%0.44423%0.23SC..G310 helixtrans-66.2-22.8174.960.4-94.2-147.900115K280 L284K280-E282 HydrophobicContact CB-CG 4.07Å; K280-E282 VanDerWaalsContact CB-OE2 3.29Å; K280-E282 WeakPolarHBondContact CB-OE2 3.13Å; K280-E282 WeakPolarHBondContact CD-OE1 3.41Å; K280-E282 IonicContact NZ-OE1 3.94Å; K280-E282 PolarHBondContact O-N 2.9Å; K280-E282 VanDerWaalsContact O-N 3.13Å; E282-L284 VanDerWaalsContact C-N 3.31Å
283D93.7Very high92.8Very high33 Ų3343.8 Ų43.818%0.17623%0.23CC..G310 helixtrans-82.6-10.7175.5-58.1-52.4000112.2Y279 K280 P281 G297 R298 H299Y279-D283 HydrophobicContact CD1-CB 4.1Å; K280-D283 PolarHBondContact N-OD2 3.49Å; K280-D283 WeakPolarHBondContact O-CA 3.2Å; K280-D283 WeakPolarHBondContact O-CB 3.21Å; K280-D283 PolarHBondContact O-N 2.95Å; P281-D283 VanDerWaalsContact C-N 3.27Å; P281-D283 PolarHBondContact O-N 3.22Å; D283-G297 CarbonylContact O-C 3.58Å; D283-G297 WeakPolarHBondContact O-CA 3.42Å; D283-R298 PolarHBondContact O-N 3.46Å; D283-H299 HydrophobicContact CB-CB 4.36Å; D283-H299 IonicContact OD1-ND1 3.33Å; D283-H299 PolarHBondContact OD1-ND1 2.83Å; D283-H299 IonicContact OD2-CE1 3.13Å; D283-H299 IonicContact OD2-CG 3.83Å; D283-H299 IonicContact OD2-ND1 3.54Å; D283-H299 PolarHBondContact OD2-ND1 2.92Å
284L95.6Very high92.7Very high4 Ų445 Ų452%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-103.1148.2-171.9-59.5177.4000112.6P234 V275 Y279 P281 E282 S296 F316 V335 L340P234-L284 WeakPolarHBondContact CD-O 3.4Å; P234-L284 HydrophobicContact CG-CB 3.75Å; P234-L284 HydrophobicContact CG-CD1 4.23Å; V275-L284 HydrophobicContact CG1-CD1 4.16Å; V275-L284 HydrophobicContact CG1-CD2 4.16Å; V275-L284 HydrophobicContact CG2-CD1 4.27Å; Y279-L284 HydrophobicContact CD1-CD2 4.47Å; Y279-L284 HydrophobicContact CG-CD2 4.3Å; P281-L284 PolarHBondContact O-N 3.39Å; P281-L284 VanDerWaalsContact O-N 3.16Å; E282-L284 VanDerWaalsContact C-N 3.31Å; L284-S296 WeakPolarHBondContact CA-O 3.49Å; L284-F316 HydrophobicContact CD2-CE1 3.71Å; L284-F316 HydrophobicContact CD2-CZ 3.73Å; L284-V335 HydrophobicContact CD1-CG2 3.75Å; L284-L340 HydrophobicContact CB-CD1 4.41Å; L284-L340 HydrophobicContact CD1-CD1 3.8Å
285C95.5Very high92.8Very high17 Ų1741.6 Ų41.612%0.11522%0.215CC..EExtended strand (participates in β ladder)trans-142.3128.6-178.9178.60000110.1A231 V295 S296A231-C285 WeakPolarHBondContact CB-SG 3.04Å; C285-V295 WeakPolarHBondContact O-CA 3.31Å; C285-S296 PolarHBondContact N-O 3.2Å; C285-S296 PolarHBondContact O-N 3.34Å
286V96.5Very high92.8Very high2 Ų242.7 Ų42.71%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-110.7117.7172.5-179.20000108.6A231 V232 P234 V293 V294 V295 V331 A333 L340 L342A231-V286 CarbonylContact C-O 3.59Å; A231-V286 WeakPolarHBondContact CA-O 3.29Å; A231-V286 WeakPolarHBondContact CB-O 3.34Å; V232-V286 HydrophobicContact CB-CB 4.43Å; V232-V286 PolarHBondContact N-O 3Å; V232-V286 PolarHBondContact O-N 3.33Å; P234-V286 HydrophobicContact CG-CG2 4.27Å; V286-V293 HydrophobicContact CG1-CG1 3.92Å; V286-V294 WeakPolarHBondContact CA-O 3.42Å; V286-V295 HydrophobicContact CG2-CG2 4.37Å; V286-V331 HydrophobicContact CG1-CG1 3.92Å; V286-A333 HydrophobicContact CG2-CB 3.92Å; V286-L340 HydrophobicContact CG2-CD1 4.15Å; V286-L340 HydrophobicContact CG2-CD2 4.33Å; V286-L342 HydrophobicContact CG1-CD2 3.87Å; V286-L342 HydrophobicContact CG2-CD2 4.24Å
287N94.7Very high92.9Very high9 Ų938.3 Ų38.35%0.04820%0.2CC..EExtended strand (participates in β ladder)trans-121.9146.2179.4174.1-104.4000110.4V230 A231 V293 V294V230-N287 PolarHBondContact O-ND2 3.03Å; A231-N287 HydrophobicContact CB-CB 4.11Å; N287-V293 WeakPolarHBondContact O-CA 3.13Å; N287-V294 PolarHBondContact N-O 2.56Å; N287-V294 PolarHBondContact O-N 2.92Å
288V92.1Very high92.9Very high4 Ų438.5 Ų38.52%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-105.5112170.4-175.90000107.6R292 V293 I322 V326 P328 V331V288-R292 WeakPolarHBondContact CA-O 3.31Å; V288-V293 HydrophobicContact CG2-CG2 4.35Å; V288-I322 HydrophobicContact CG1-CD1 4.4Å; V288-V326 HydrophobicContact CG1-CB 4.17Å; V288-V326 HydrophobicContact CG2-CG1 4.11Å; V288-P328 HydrophobicContact CB-CB 4.45Å; V288-P328 HydrophobicContact CB-CG 4.16Å; V288-V331 HydrophobicContact CG2-CG2 3.61Å
289D86.8Confident93Very high56 Ų5638.4 Ų38.430%0.29919%0.185SC..EExtended strand (participates in β ladder)trans-109.795.2176.9178.420000107.9K128 N291 R292 V294K128-D289 WeakPolarHBondContact CD-OD1 3.38Å; K128-D289 WeakPolarHBondContact CE-OD1 3.43Å; K128-D289 IonicContact NZ-OD1 4Å; K128-D289 PolarHBondContact NZ-OD1 3.33Å; D289-N291 PolarHBondContact O-N 3.33Å; D289-R292 PolarHBondContact N-O 3.46Å; D289-R292 PolarHBondContact O-N 2.83Å; D289-V294 HydrophobicContact CB-CG2 4.45Å
290S83Confident92.8Very high12 Ų1241 Ų418%0.08420%0.198CC..THydrogen-bonded Turntrans58.5-105.7178.6-760000112.4D125 K128D125-S290 WeakPolarHBondContact CA-OG 3.36Å; D125-S290 VanDerWaalsContact CB-OG 3.29Å; D125-S290 WeakPolarHBondContact CB-OG 3.35Å; D125-S290 VanDerWaalsContact CG-OG 3.26Å; D125-S290 WeakPolarHBondContact OD1-CB 3.31Å; D125-S290 PolarHBondContact OD1-OG 3.05Å; K128-S290 PolarHBondContact NZ-OG 2.88Å
291N84.5Confident92.6Very high87 Ų8739.4 Ų39.447%0.46519%0.191SC..THydrogen-bonded Turntrans-102.625-178.566.8-12000112D289 I322D289-N291 PolarHBondContact O-N 3.33Å; N291-I322 VanDerWaalsContact O-CG1 3.27Å; N291-I322 WeakPolarHBondContact O-CG1 3.42Å; N291-I322 PolarHBondContact O-N 3.46Å
292R90.9Very high92.4Very high115 Ų11544.3 Ų44.343%0.43421%0.212SC..EExtended strand (participates in β ladder)trans-138.1143.4178-63177.2-179.2-126.2-0.6111.4V288 D289 Y320V288-R292 WeakPolarHBondContact CA-O 3.31Å; D289-R292 PolarHBondContact N-O 3.46Å; D289-R292 PolarHBondContact O-N 2.83Å; R292-Y320 CarbonylContact C-O 3.55Å; R292-Y320 WeakPolarHBondContact CA-O 3.48Å
293V94.1Very high92.1Very high0 Ų047.5 Ų47.50%022%0.224CC..EExtended strand (participates in β ladder)trans-96.6129.4159.6179.10000108.2L269 V286 N287 V288 S319 Y320 I322 L342L269-V293 HydrophobicContact CD2-CG2 3.51Å; V286-V293 HydrophobicContact CG1-CG1 3.92Å; N287-V293 WeakPolarHBondContact O-CA 3.13Å; V288-V293 HydrophobicContact CG2-CG2 4.35Å; V293-S319 CarbonylContact O-C 3.58Å; V293-S319 VanDerWaalsContact O-CA 3.32Å; V293-S319 WeakPolarHBondContact O-CA 3.39Å; V293-Y320 PolarHBondContact N-O 2.92Å; V293-Y320 PolarHBondContact O-N 2.87Å; V293-I322 HydrophobicContact CG2-CD1 4.12Å; V293-I322 HydrophobicContact CG2-CG2 4.05Å; V293-L342 HydrophobicContact CG1-CD1 4.12Å; V293-L342 HydrophobicContact CG1-CD2 3.98Å
294V95.7Very high91.7Very high27 Ų2750.3 Ų50.316%0.16425%0.247CC..EExtended strand (participates in β ladder)trans-113.9123.9177.4-175.20000108.2V286 N287 D289 Q318V286-V294 WeakPolarHBondContact CA-O 3.42Å; N287-V294 PolarHBondContact N-O 2.56Å; N287-V294 PolarHBondContact O-N 2.92Å; D289-V294 HydrophobicContact CB-CG2 4.45Å; V294-Q318 CarbonylContact C-O 3.57Å; V294-Q318 WeakPolarHBondContact CA-O 3.5Å
295V96.8Very high91Very high0 Ų052.5 Ų52.50%027%0.27CS..EExtended strand (participates in β ladder)trans-107.7120.9170.8-177.90000107.1V273 C285 V286 F316 S317 Q318 L340 L342V273-V295 HydrophobicContact CG2-CB 4.37Å; V273-V295 HydrophobicContact CG2-CG1 4.42Å; V273-V295 HydrophobicContact CG2-CG2 4.02Å; C285-V295 WeakPolarHBondContact O-CA 3.31Å; V286-V295 HydrophobicContact CG2-CG2 4.37Å; V295-F316 HydrophobicContact CG1-CE2 4.08Å; V295-F316 HydrophobicContact CG1-CZ 4.32Å; V295-S317 CarbonylContact O-C 3.56Å; V295-S317 WeakPolarHBondContact O-CA 3.36Å; V295-Q318 PolarHBondContact N-O 3.41Å; V295-Q318 PolarHBondContact O-N 3.46Å; V295-L340 HydrophobicContact CG1-CD1 4.02Å; V295-L340 HydrophobicContact CG1-CD2 3.89Å; V295-L340 HydrophobicContact CG2-CD2 3.98Å; V295-L342 HydrophobicContact CG2-CD2 3.72Å
296S96.6Very high90.5Very high35 Ų3560.6 Ų60.625%0.24531%0.306CS..EExtended strand (participates in β ladder)trans-125.4156.5175.259.10000111.1L284 C285 F316L284-S296 WeakPolarHBondContact CA-O 3.49Å; C285-S296 PolarHBondContact N-O 3.2Å; C285-S296 PolarHBondContact O-N 3.34Å; S296-F316 VanDerWaalsContact CA-O 3.26Å; S296-F316 WeakPolarHBondContact CA-O 2.96Å; S296-F316 WeakPolarHBondContact CB-O 3.33Å
297G95.4Very high89.7Confident3 Ų371.5 Ų71.53%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-144.4138.1172.900000111.2D283 E315 F316D283-G297 CarbonylContact O-C 3.58Å; D283-G297 WeakPolarHBondContact O-CA 3.42Å; G297-E315 CarbonylContact O-C 3.49Å; G297-E315 WeakPolarHBondContact O-CA 3.39Å; G297-F316 PolarHBondContact N-O 2.74Å; G297-F316 PolarHBondContact O-N 3.33Å
298R94.5Very high89.1Confident107 Ų10773.1 Ų73.140%0.40437%0.368SS..EExtended strand (participates in β ladder)trans-139111179.2-173.2175.2-178.5173.63.8110.3E226 D283 F313 A314 E315E226-R298 WeakPolarHBondContact OE1-CD 3.39Å; E226-R298 IonicContact OE1-CZ 2.83Å; E226-R298 IonicContact OE1-NH1 3.81Å; E226-R298 PolarHBondContact OE1-NH1 2.88Å; D283-R298 PolarHBondContact O-N 3.46Å; R298-F313 HydrophobicContact CG-CD1 4.24Å; R298-A314 WeakPolarHBondContact CA-O 3.21Å; R298-E315 HydrophobicContact CB-CG 4.44Å
299H94.4Very high88.9Confident36 Ų3680.9 Ų80.917%0.16740%0.402CS..EExtended strand (participates in β ladder)trans-114126.1-178.2-178.380000111.3V278 Y279 D283 F313 A314V278-H299 PolarHBondContact O-CE1 2.53Å; V278-H299 PolarHBondContact O-ND1 3.11Å; Y279-H299 HydrophobicContact CD1-CB 3.8Å; Y279-H299 HydrophobicContact CE1-CB 3.91Å; D283-H299 HydrophobicContact CB-CB 4.36Å; D283-H299 IonicContact OD1-ND1 3.33Å; D283-H299 PolarHBondContact OD1-ND1 2.83Å; D283-H299 IonicContact OD2-CE1 3.13Å; D283-H299 IonicContact OD2-CG 3.83Å; D283-H299 IonicContact OD2-ND1 3.54Å; D283-H299 PolarHBondContact OD2-ND1 2.92Å; H299-F313 CarbonylContact O-C 3.49Å; H299-F313 VanDerWaalsContact O-CA 3.32Å; H299-F313 WeakPolarHBondContact O-CA 3.5Å; H299-A314 PolarHBondContact N-O 3.41Å; H299-A314 PolarHBondContact O-N 2.86Å
300H91.6Very high89Confident85 Ų8581.9 Ų81.939%0.39441%0.413SS..EExtended strand (participates in β ladder)trans-82.9125.8178.1-178.5-127.9000111.7S311 S312 F313H300-S311 PolarHBondContact NE2-OG 3.33Å; H300-S312 PolarHBondContact CD2-O 2.94Å; H300-F313 HydrophobicContact CB-CD1 3.98Å; H300-F313 HydrophobicContact CB-CE1 3.77Å; H300-F313 AromaticContact CD2-CD1 3.91Å; H300-F313 AromaticContact CD2-CE1 3.39Å; H300-F313 WeakPolarHBondContact CD2-CE1 3.49Å; H300-F313 AromaticContact CD2-CZ 3.54Å; H300-F313 AromaticContact CG-CE1 3.84Å
301K89.2Confident89.3Confident78 Ų7884.7 Ų84.734%0.33943%0.432SS..EExtended strand (participates in β ladder)trans-112.5112.2177.7-63.7-178.9-177.9-178.90109.5S311 S312K301-S311 WeakPolarHBondContact O-CA 3.42Å; K301-S312 PolarHBondContact N-O 3.48Å; K301-S312 PolarHBondContact O-N 2.8Å
302Q88.4Confident89.7Confident126 Ų12683.3 Ų83.359%0.58943%0.43SS*.EExtended strand (participates in β ladder)trans-105.8124.2172.9-158.3173.121.400110.4
303K84.8Confident89.7Confident161 Ų16182.9 Ų82.970%0.743%0.431SS*.EExtended strand (participates in β ladder)trans-116.9120.1173.9-73.2-175.3178.7-1790109.3S310K303-S310 PolarHBondContact N-O 3.25Å; K303-S310 PolarHBondContact O-N 2.97Å
304S84.6Confident89.7Confident92 Ų9283.8 Ų83.864%0.64344%0.438SS*.EExtended strand (participates in β ladder)trans-96.9113.9169.2-61.10000108.5
305G82Confident89.7Confident50 Ų5088 Ų8852%0.51546%0.457SS..EExtended strand (participates in β ladder)trans-113.3171.9175.200000111.7Y307 G308G305-Y307 PolarHBondContact O-N 3.34Å; G305-Y307 VanDerWaalsContact O-N 3.1Å; G305-G308 PolarHBondContact N-O 3.38Å; G305-G308 PolarHBondContact O-N 2.94Å; G305-G308 VanDerWaalsContact O-N 3.13Å
306Q83.5Confident89.7Confident187 Ų18790.3 Ų90.387%0.87447%0.467SS*.THydrogen-bonded Turntrans-60.7-22.1-177.5-152173.64.500113.6
307Y79.6Confident89.6Confident231 Ų23192.7 Ų92.791%0.90648%0.483SS*.THydrogen-bonded Turntrans-106.56.8-179.5-61.9-77.9000114.4G305G305-Y307 PolarHBondContact O-N 3.34Å; G305-Y307 VanDerWaalsContact O-N 3.1Å
308G83.5Confident89.6Confident44 Ų4496.3 Ų96.345%0.45450%0.499SS..EExtended strand (participates in β ladder)trans142.5179.3176.700000114.5G305G305-G308 PolarHBondContact N-O 3.38Å; G305-G308 PolarHBondContact O-N 2.94Å; G305-G308 VanDerWaalsContact O-N 3.13Å
309K87.1Confident89.7Confident167 Ų16794 Ų9473%0.72650%0.499SS*.EExtended strand (participates in β ladder)trans-96.4126.3175.4-62.2-177.7-178.2178.80109.1
310S87.8Confident89.7Confident77 Ų7793.5 Ų93.554%0.53850%0.496SS..EExtended strand (participates in β ladder)trans-109.4139.3170.2-176.40000109.4K303K303-S310 PolarHBondContact N-O 3.25Å; K303-S310 PolarHBondContact O-N 2.97Å
311S90.6Very high89.7Confident70 Ų7092.5 Ų92.549%0.4950%0.503SS..EExtended strand (participates in β ladder)trans-126.2125.2178.9168.30000107.8H300 K301H300-S311 PolarHBondContact NE2-OG 3.33Å; K301-S311 WeakPolarHBondContact O-CA 3.42Å
312S92.6Very high89.7Confident59 Ų5989.1 Ų89.141%0.41349%0.488SS..EExtended strand (participates in β ladder)trans-133.4169.6172.865.40000110.7H300 K301H300-S312 PolarHBondContact CD2-O 2.94Å; K301-S312 PolarHBondContact N-O 3.48Å; K301-S312 PolarHBondContact O-N 2.8Å
313F91.4Very high89.2Confident106 Ų10687.1 Ų87.147%0.46549%0.486SS..EExtended strand (participates in β ladder)trans-123.8143.8173.5-61-90.3000108.8R298 H299 H300R298-F313 HydrophobicContact CG-CD1 4.24Å; H299-F313 CarbonylContact O-C 3.49Å; H299-F313 VanDerWaalsContact O-CA 3.32Å; H299-F313 WeakPolarHBondContact O-CA 3.5Å; H300-F313 HydrophobicContact CB-CD1 3.98Å; H300-F313 HydrophobicContact CB-CE1 3.77Å; H300-F313 AromaticContact CD2-CD1 3.91Å; H300-F313 AromaticContact CD2-CE1 3.39Å; H300-F313 WeakPolarHBondContact CD2-CE1 3.49Å; H300-F313 AromaticContact CD2-CZ 3.54Å; H300-F313 AromaticContact CG-CE1 3.84Å
314A94Very high88.8Confident18 Ų1882.2 Ų82.215%0.14947%0.466CS..EExtended strand (participates in β ladder)trans-101132.1159.400000107.4Y279 R298 H299Y279-A314 HydrophobicContact CE1-CB 4.45Å; Y279-A314 WeakPolarHBondContact CE1-O 3.33Å; Y279-A314 WeakPolarHBondContact OH-CB 3.48Å; Y279-A314 PolarHBondContact OH-O 3.37Å; R298-A314 WeakPolarHBondContact CA-O 3.21Å; H299-A314 PolarHBondContact N-O 3.41Å; H299-A314 PolarHBondContact O-N 2.86Å
315E95.4Very high88.4Confident117 Ų11778.7 Ų78.755%0.54744%0.44SS..EExtended strand (participates in β ladder)trans-140.1143-175.3-169.6177.5172.400111Y279 G297 R298Y279-E315 WeakPolarHBondContact OH-CA 3.27Å; Y279-E315 PolarHBondContact OH-N 3.28Å; Y279-E315 VanDerWaalsContact OH-N 3.08Å; G297-E315 CarbonylContact O-C 3.49Å; G297-E315 WeakPolarHBondContact O-CA 3.39Å; R298-E315 HydrophobicContact CB-CG 4.44Å
316F95.8Very high88.7Confident48 Ų4876.3 Ų76.321%0.21142%0.416CS..EExtended strand (participates in β ladder)trans-142.8157.5168.377.7-85.7000110.8Y279 L284 V295 S296 G297Y279-F316 HydrophobicContact CD1-CD1 4.43Å; Y279-F316 HydrophobicContact CD1-CE1 4.18Å; Y279-F316 HydrophobicContact CD2-CD1 4.21Å; Y279-F316 AromaticContact CD2-CE1 3.97Å; Y279-F316 HydrophobicContact CD2-CE1 3.97Å; Y279-F316 AromaticContact CE1-CD1 3.93Å; Y279-F316 HydrophobicContact CE1-CD1 3.93Å; Y279-F316 HydrophobicContact CE1-CE1 4.15Å; Y279-F316 AromaticContact CE2-CD1 3.7Å; Y279-F316 HydrophobicContact CE2-CD1 3.7Å; Y279-F316 AromaticContact CE2-CE1 3.96Å; Y279-F316 HydrophobicContact CE2-CE1 3.96Å; Y279-F316 HydrophobicContact CG-CE1 4.1Å; Y279-F316 AromaticContact CZ-CD1 3.55Å; L284-F316 HydrophobicContact CD2-CE1 3.71Å; L284-F316 HydrophobicContact CD2-CZ 3.73Å; V295-F316 HydrophobicContact CG1-CE2 4.08Å; V295-F316 HydrophobicContact CG1-CZ 4.32Å; S296-F316 VanDerWaalsContact CA-O 3.26Å; S296-F316 WeakPolarHBondContact CA-O 2.96Å; S296-F316 WeakPolarHBondContact CB-O 3.33Å; G297-F316 PolarHBondContact N-O 2.74Å; G297-F316 PolarHBondContact O-N 3.33Å
317S95.7Very high89Confident85 Ų8567.5 Ų67.559%0.59438%0.375SS*.EExtended strand (participates in β ladder)trans-145.1129.7170.2-178.90000109.2V295V295-S317 CarbonylContact O-C 3.56Å; V295-S317 WeakPolarHBondContact O-CA 3.36Å
318Q95.4Very high89.5Confident78 Ų7856.9 Ų56.936%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-129.6134.4178-167.6161.74.900109.1V294 V295 Y320V294-Q318 CarbonylContact C-O 3.57Å; V294-Q318 WeakPolarHBondContact CA-O 3.5Å; V295-Q318 PolarHBondContact N-O 3.41Å; V295-Q318 PolarHBondContact O-N 3.46Å; Q318-Y320 HydrophobicContact CB-CE2 4.46Å; Q318-Y320 HydrophobicContact CG-CE2 3.82Å; Q318-Y320 PolarHBondContact NE2-OH 3.2Å
319S95.4Very high89.9Confident58 Ų5855.1 Ų55.141%0.40631%0.314SS..EExtended strand (participates in β ladder)trans-124.4144.4-178.669.90000111.6V293V293-S319 CarbonylContact O-C 3.58Å; V293-S319 VanDerWaalsContact O-CA 3.32Å; V293-S319 WeakPolarHBondContact O-CA 3.39Å
320Y95Very high90Very high27 Ų2748.5 Ų48.511%0.10629%0.289CS..EExtended strand (participates in β ladder)trans-127.9123178.5-59.1-86.6000108.9L257 V271 V273 R292 V293 Q318L257-Y320 HydrophobicContact CB-CD1 3.86Å; L257-Y320 HydrophobicContact CB-CG 4.3Å; V271-Y320 HydrophobicContact CG1-CD1 4.47Å; V271-Y320 HydrophobicContact CG1-CD2 3.72Å; V271-Y320 HydrophobicContact CG1-CE1 4.27Å; V271-Y320 HydrophobicContact CG1-CE2 3.47Å; V271-Y320 VanDerWaalsContact CG1-CE2 3.47Å; V271-Y320 HydrophobicContact CG1-CG 4.2Å; V273-Y320 HydrophobicContact CG2-CE2 3.94Å; R292-Y320 CarbonylContact C-O 3.55Å; R292-Y320 WeakPolarHBondContact CA-O 3.48Å; V293-Y320 PolarHBondContact N-O 2.92Å; V293-Y320 PolarHBondContact O-N 2.87Å; Q318-Y320 HydrophobicContact CB-CE2 4.46Å; Q318-Y320 HydrophobicContact CG-CE2 3.82Å; Q318-Y320 PolarHBondContact NE2-OH 3.2Å
321A92Very high90.2Very high64 Ų6444.9 Ų44.953%0.52926%0.264SS..EExtended strand (participates in β ladder)trans-69.5130.6173.100000109.9L257L257-A321 WeakPolarHBondContact CD2-O 3.46Å
322I88.3Confident90.3Very high7 Ų743.5 Ų43.54%0.03625%0.254CS..  trans-114.9144178.258171000109.6L257 L269 V288 N291 V293 E324 V326L257-I322 HydrophobicContact CD2-CG2 4.38Å; L269-I322 HydrophobicContact CD1-CB 4.24Å; L269-I322 HydrophobicContact CD1-CG2 3.39Å; L269-I322 HydrophobicContact CD2-CG2 4.12Å; L269-I322 HydrophobicContact CG-CG2 4.41Å; V288-I322 HydrophobicContact CG1-CD1 4.4Å; N291-I322 VanDerWaalsContact O-CG1 3.27Å; N291-I322 WeakPolarHBondContact O-CG1 3.42Å; N291-I322 PolarHBondContact O-N 3.46Å; V293-I322 HydrophobicContact CG2-CD1 4.12Å; V293-I322 HydrophobicContact CG2-CG2 4.05Å; I322-E324 WeakPolarHBondContact CD1-O 3.46Å; I322-V326 HydrophobicContact CD1-CB 3.99Å; I322-V326 HydrophobicContact CD1-CG2 3.69Å
323P77.7Confident90.5Very high84 Ų8440.8 Ų40.855%0.54524%0.235SC..SBendtrans-78-24.8-170.829.8-35.5000112.9Y259Y259-P323 HydrophobicContact CE1-CG 4.19Å; Y259-P323 WeakPolarHBondContact OH-CD 3.49Å; Y259-P323 WeakPolarHBondContact OH-CG 3.45Å
324E76.8Confident90.6Very high57 Ų5735.8 Ų35.827%0.26621%0.213SC..SBendtrans-131.3156.7-175-65.8178-172.600109.2I322 L346 K348I322-E324 WeakPolarHBondContact CD1-O 3.46Å; E324-L346 HydrophobicContact CB-CD2 4.47Å; E324-K348 WeakPolarHBondContact OE2-CA 3.24Å
325T76.7Confident90.6Very high18 Ų1835.7 Ų35.711%0.1121%0.211CC..  trans-64.2136.4175.4-56.10000109.5S124 L127 E347S124-T325 PolarHBondContact O-OG1 2.9Å; L127-T325 HydrophobicContact CD1-CG2 3.6Å; L127-T325 HydrophobicContact CG-CG2 4.34Å; T325-E347 PolarHBondContact O-N 2.87Å
326V88.1Confident90.5Very high0 Ų032.8 Ų32.80%020%0.201CC..  trans-112.4133.9171.51670000107.2V288 I322 P328 V331 A344 L346V288-V326 HydrophobicContact CG1-CB 4.17Å; V288-V326 HydrophobicContact CG2-CG1 4.11Å; I322-V326 HydrophobicContact CD1-CB 3.99Å; I322-V326 HydrophobicContact CD1-CG2 3.69Å; V326-P328 WeakPolarHBondContact O-CD 3.45Å; V326-V331 HydrophobicContact CG1-CG2 3.87Å; V326-A344 HydrophobicContact CG1-CB 3.49Å; V326-A344 VanDerWaalsContact CG1-CB 3.49Å; V326-A344 HydrophobicContact CG2-CB 4.45Å; V326-L346 HydrophobicContact CG2-CD2 3.87Å
327D89.3Confident90.2Very high3 Ų333 Ų332%0.01622%0.217CC..  trans-66.5118.8168.7175.911.9000109.2Y131 P190 S192 L329 S330Y131-D327 VanDerWaalsContact CE2-OD1 3.31Å; Y131-D327 WeakPolarHBondContact CE2-OD1 3.37Å; Y131-D327 VanDerWaalsContact CZ-OD1 3.26Å; Y131-D327 VanDerWaalsContact OH-CG 3.28Å; Y131-D327 PolarHBondContact OH-OD1 3.04Å; Y131-D327 PolarHBondContact OH-OD2 2.9Å; P190-D327 HydrophobicContact CB-CB 4.41Å; S192-D327 WeakPolarHBondContact CB-OD2 3.39Å; S192-D327 PolarHBondContact OG-OD2 2.82Å; D327-L329 PolarHBondContact O-N 2.79Å; D327-L329 VanDerWaalsContact O-N 3.09Å; D327-L329 PolarHBondContact OD1-N 2.89Å; D327-L329 VanDerWaalsContact OD1-N 3.07Å; D327-S330 WeakPolarHBondContact O-CB 3.36Å; D327-S330 PolarHBondContact O-N 3.24Å; D327-S330 PolarHBondContact O-OG 3.25Å
328P91.2Very high90Very high8 Ų833.2 Ų33.25%0.05221%0.211CC..G310 helixtrans-47.7-36.5174.8-25.928.7000113.9Y131 V288 V326 S330 V331Y131-P328 HydrophobicContact CD2-CB 4.24Å; Y131-P328 HydrophobicContact CD2-CG 3.97Å; Y131-P328 HydrophobicContact CE2-CB 4.33Å; Y131-P328 HydrophobicContact CE2-CG 3.96Å; V288-P328 HydrophobicContact CB-CB 4.45Å; V288-P328 HydrophobicContact CB-CG 4.16Å; V326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-S330 VanDerWaalsContact C-N 3.28Å; P328-S330 PolarHBondContact O-N 3.35Å; P328-V331 PolarHBondContact O-N 3.17Å
329L91.1Very high90Very high7 Ų730.7 Ų30.74%0.03720%0.201CC..G310 helixtrans-83.82.8179.4-60.3-170.1000113.7Y131 V214 Q220 L222 V230 D327Y131-L329 HydrophobicContact CD1-CD1 3.58Å; Y131-L329 HydrophobicContact CD1-CG 4.04Å; Y131-L329 HydrophobicContact CD2-CG 4.41Å; Y131-L329 HydrophobicContact CE1-CD1 3.36Å; Y131-L329 HydrophobicContact CE1-CG 3.85Å; Y131-L329 HydrophobicContact CE2-CG 4.24Å; Y131-L329 HydrophobicContact CG-CD1 4.3Å; Y131-L329 HydrophobicContact CG-CG 4.29Å; V214-L329 HydrophobicContact CB-CD1 3.61Å; V214-L329 HydrophobicContact CG1-CD1 3.52Å; V214-L329 HydrophobicContact CG2-CD1 3.89Å; Q220-L329 PolarHBondContact NE2-O 2.77Å; L222-L329 HydrophobicContact CD1-CD2 3.71Å; L222-L329 HydrophobicContact CD2-CD2 3.54Å; L222-L329 HydrophobicContact CG-CD2 4.3Å; V230-L329 HydrophobicContact CG1-CD2 3.8Å; D327-L329 PolarHBondContact O-N 2.79Å; D327-L329 VanDerWaalsContact O-N 3.09Å; D327-L329 PolarHBondContact OD1-N 2.89Å; D327-L329 VanDerWaalsContact OD1-N 3.07Å
330S90.2Very high90.1Very high27 Ų2727.9 Ų27.919%0.18918%0.182CC..G310 helixtrans-96.7-9.4171.174.30000112.9D327 P328 S332D327-S330 WeakPolarHBondContact O-CB 3.36Å; D327-S330 PolarHBondContact O-N 3.24Å; D327-S330 PolarHBondContact O-OG 3.25Å; P328-S330 VanDerWaalsContact C-N 3.28Å; P328-S330 PolarHBondContact O-N 3.35Å; S330-S332 PolarHBondContact O-N 3.08Å
331V92.7Very high90.1Very high2 Ų226.6 Ų26.61%0.01218%0.177CC..  trans-72127.7-178.1-179.30000110.4V232 V286 V288 V326 P328 L342 A344V232-V331 HydrophobicContact CG2-CB 4.08Å; V232-V331 HydrophobicContact CG2-CG1 4.43Å; V286-V331 HydrophobicContact CG1-CG1 3.92Å; V288-V331 HydrophobicContact CG2-CG2 3.61Å; V326-V331 HydrophobicContact CG1-CG2 3.87Å; P328-V331 PolarHBondContact O-N 3.17Å; V331-L342 HydrophobicContact CG1-CB 4.48Å; V331-L342 HydrophobicContact CG1-CD1 4.5Å; V331-A344 HydrophobicContact CB-CB 4.5Å; V331-A344 HydrophobicContact CG2-CB 3.96Å
332S92.5Very high90.3Very high40 Ų4023.6 Ų23.628%0.2815%0.151SC..EExtended strand (participates in β ladder)trans-105.7133.7166.3-65.90000108.8L249 S330 L342 E343L249-S332 WeakPolarHBondContact CD1-O 3.25Å; S330-S332 PolarHBondContact O-N 3.08Å; S332-L342 CarbonylContact O-C 3.59Å; S332-L342 WeakPolarHBondContact O-CA 3.47Å; S332-L342 WeakPolarHBondContact O-CB 3.33Å; S332-E343 PolarHBondContact N-O 3.31Å; S332-E343 PolarHBondContact O-N 2.98Å
333A95.1Very high90.6Very high3 Ų324.3 Ų24.33%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-138.3139.3178.100000111.5V232 P234 K235 V286 V341 L342V232-A333 HydrophobicContact CG1-CB 4.1Å; P234-A333 WeakPolarHBondContact CA-O 3.32Å; P234-A333 HydrophobicContact CB-CB 4.24Å; P234-A333 HydrophobicContact CG-CB 4.24Å; K235-A333 PolarHBondContact N-O 3.16Å; V286-A333 HydrophobicContact CG2-CB 3.92Å; A333-V341 CarbonylContact C-O 3.55Å; A333-V341 WeakPolarHBondContact CA-O 3.27Å; A333-L342 HydrophobicContact CB-CB 4.02Å
334Q94.8Very high91.3Very high1 Ų120.3 Ų20.31%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-146.4142.7-176.1-59.7-175.717.300109.6K235 I240 Q247 L249 V341K235-Q334 HydrophobicContact CB-CG 4.21Å; K235-Q334 HydrophobicContact CD-CG 4.22Å; I240-Q334 HydrophobicContact CD1-CB 3.84Å; I240-Q334 HydrophobicContact CD1-CG 4.35Å; I240-Q334 HydrophobicContact CG1-CB 4.22Å; I240-Q334 HydrophobicContact CG1-CG 4.18Å; Q247-Q334 PolarHBondContact O-NE2 2.93Å; Q247-Q334 VanDerWaalsContact O-NE2 3.15Å; L249-Q334 HydrophobicContact CB-CB 4.37Å; L249-Q334 HydrophobicContact CB-CG 4.29Å; L249-Q334 HydrophobicContact CD1-CB 4.39Å; L249-Q334 HydrophobicContact CD1-CG 4.07Å; L249-Q334 HydrophobicContact CG-CG 4.12Å; Q334-V341 PolarHBondContact N-O 3.06Å; Q334-V341 PolarHBondContact O-N 2.75Å
335V94.4Very high91.8Very high16 Ų1619.9 Ų19.910%0.09713%0.131CC..EExtended strand (participates in β ladder)trans-92.8119.5166.9-178.60000107.9P234 K235 I240 P281 L284 G337P234-V335 HydrophobicContact CB-CG2 3.9Å; K235-V335 PolarHBondContact O-N 2.85Å; K235-V335 VanDerWaalsContact O-N 3.13Å; I240-V335 VanDerWaalsContact CD1-O 3.31Å; I240-V335 WeakPolarHBondContact CD1-O 3.4Å; P281-V335 HydrophobicContact CB-CG2 4.36Å; P281-V335 HydrophobicContact CG-CB 4.35Å; P281-V335 HydrophobicContact CG-CG2 4.06Å; L284-V335 HydrophobicContact CD1-CG2 3.75Å; V335-G337 WeakPolarHBondContact CG1-O 3.01Å
336V91.9Very high92.2Very high55 Ų5520.1 Ų20.133%0.33313%0.131SC..EExtended strand (participates in β ladder)trans-112.4101.1176.7-176.70000107.6N338 T339 V341V336-N338 PolarHBondContact O-N 2.95Å; V336-N338 VanDerWaalsContact O-N 3.13Å; V336-T339 PolarHBondContact N-O 3.31Å; V336-T339 PolarHBondContact O-N 2.97Å; V336-T339 VanDerWaalsContact O-N 3.13Å; V336-V341 HydrophobicContact CB-CG2 4.37Å; V336-V341 HydrophobicContact CG2-CG2 4.13Å
337G89.9Confident91.3Very high53 Ų5322.1 Ų22.155%0.54614%0.141SC..THydrogen-bonded Turntrans64-110-170.800000111.2V335V335-G337 WeakPolarHBondContact CG1-O 3.01Å
338N92Very high90Very high90 Ų9028.5 Ų28.548%0.48117%0.168SC..THydrogen-bonded Turntrans-111.717.3178.6-74.382.9000112.9V275 P277 V336V275-N338 PolarHBondContact N-O 3.22Å; P277-N338 WeakPolarHBondContact CG-ND2 3.43Å; V336-N338 PolarHBondContact O-N 2.95Å; V336-N338 VanDerWaalsContact O-N 3.13Å
339T95Very high88.3Confident24 Ų2432.5 Ų32.515%0.14719%0.186CC..EExtended strand (participates in β ladder)trans-121.3122.7-179.9-59.80000109.3E272 V273 V336 V341E272-T339 HydrophobicContact CB-CG2 3.83Å; E272-T339 HydrophobicContact CG-CG2 4.14Å; V273-T339 WeakPolarHBondContact O-CA 3.47Å; V336-T339 PolarHBondContact N-O 3.31Å; V336-T339 PolarHBondContact O-N 2.97Å; V336-T339 VanDerWaalsContact O-N 3.13Å; T339-V341 HydrophobicContact CG2-CG2 4.15Å
340L96.8Very high86.5Confident0 Ų033.5 Ų33.50%019%0.191CC..EExtended strand (participates in β ladder)trans-75.8122.2165.1174.3141.2000108.2P234 E272 V273 V275 L284 V286 V295 L342P234-L340 HydrophobicContact CB-CD1 4.08Å; P234-L340 HydrophobicContact CG-CD1 3.3Å; P234-L340 HydrophobicContact CG-CG 4.38Å; E272-L340 CarbonylContact C-O 3.56Å; E272-L340 WeakPolarHBondContact CA-O 3.43Å; V273-L340 HydrophobicContact CB-CB 4.35Å; V273-L340 HydrophobicContact CB-CD2 4.21Å; V273-L340 HydrophobicContact CG2-CD2 4.06Å; V273-L340 PolarHBondContact N-O 3.14Å; V273-L340 PolarHBondContact O-N 2.83Å; V275-L340 HydrophobicContact CG2-CB 3.67Å; L284-L340 HydrophobicContact CB-CD1 4.41Å; L284-L340 HydrophobicContact CD1-CD1 3.8Å; V286-L340 HydrophobicContact CG2-CD1 4.15Å; V286-L340 HydrophobicContact CG2-CD2 4.33Å; V295-L340 HydrophobicContact CG1-CD1 4.02Å; V295-L340 HydrophobicContact CG1-CD2 3.89Å; V295-L340 HydrophobicContact CG2-CD2 3.98Å; L340-L342 HydrophobicContact CD2-CD2 3.81Å
341V96.2Very high84.1Confident0 Ų035.9 Ų35.90%021%0.212CC..EExtended strand (participates in β ladder)trans-111.9129175.2-1710000107.6L249 A251 H270 V271 E272 A333 Q334 V336 T339L249-V341 HydrophobicContact CB-CB 4.22Å; L249-V341 HydrophobicContact CB-CG1 3.91Å; L249-V341 HydrophobicContact CD1-CG1 4.31Å; L249-V341 WeakPolarHBondContact CD1-O 3.21Å; A251-V341 HydrophobicContact CB-CG2 3.87Å; H270-V341 VanDerWaalsContact CE1-CG1 3.45Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.26Å; V271-V341 WeakPolarHBondContact O-CA 3.05Å; E272-V341 HydrophobicContact CG-CG2 4.38Å; A333-V341 CarbonylContact C-O 3.55Å; A333-V341 WeakPolarHBondContact CA-O 3.27Å; Q334-V341 PolarHBondContact N-O 3.06Å; Q334-V341 PolarHBondContact O-N 2.75Å; V336-V341 HydrophobicContact CB-CG2 4.37Å; V336-V341 HydrophobicContact CG2-CG2 4.13Å; T339-V341 HydrophobicContact CG2-CG2 4.15Å
342L95.5Very high81.5Confident0 Ų039.5 Ų39.50%023%0.23CC..EExtended strand (participates in β ladder)trans-130.6145.2171.272.196000111.1L269 H270 V271 V286 V293 V295 V331 S332 A333 L340L269-L342 HydrophobicContact CD2-CD1 3.92Å; H270-L342 WeakPolarHBondContact CA-O 3.43Å; V271-L342 HydrophobicContact CB-CD1 4.03Å; V271-L342 HydrophobicContact CB-CD2 3.9Å; V271-L342 HydrophobicContact CB-CG 3.75Å; V271-L342 HydrophobicContact CG1-CD2 4.43Å; V271-L342 HydrophobicContact CG2-CD1 3.87Å; V271-L342 HydrophobicContact CG2-CD2 4.43Å; V271-L342 HydrophobicContact CG2-CG 4.19Å; V271-L342 PolarHBondContact N-O 2.86Å; V271-L342 PolarHBondContact O-N 3.18Å; V286-L342 HydrophobicContact CG1-CD2 3.87Å; V286-L342 HydrophobicContact CG2-CD2 4.24Å; V293-L342 HydrophobicContact CG1-CD1 4.12Å; V293-L342 HydrophobicContact CG1-CD2 3.98Å; V295-L342 HydrophobicContact CG2-CD2 3.72Å; V331-L342 HydrophobicContact CG1-CB 4.48Å; V331-L342 HydrophobicContact CG1-CD1 4.5Å; S332-L342 CarbonylContact O-C 3.59Å; S332-L342 WeakPolarHBondContact O-CA 3.47Å; S332-L342 WeakPolarHBondContact O-CB 3.33Å; A333-L342 HydrophobicContact CB-CB 4.02Å; L340-L342 HydrophobicContact CD2-CD2 3.81Å
343E94.5Very high78.6Confident22 Ų2244 Ų4410%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-136.1148.6171.9-68.4-164.6174.800111.9L249 R268 L269 H270 S332L249-E343 HydrophobicContact CD2-CB 3.99Å; L249-E343 HydrophobicContact CD2-CG 3.88Å; R268-E343 IonicContact CZ-OE2 3.64Å; R268-E343 IonicContact NE-OE2 2.79Å; R268-E343 PolarHBondContact NE-OE2 2.92Å; R268-E343 IonicContact NH2-OE2 3.79Å; R268-E343 PolarHBondContact NH2-OE2 2.76Å; L269-E343 WeakPolarHBondContact O-CA 3.47Å; L269-E343 WeakPolarHBondContact O-CB 3.22Å; H270-E343 HydrophobicContact CB-CG 4.11Å; H270-E343 IonicContact CE1-OE1 2.68Å; H270-E343 IonicContact CG-OE1 3.19Å; H270-E343 WeakPolarHBondContact ND1-CG 3.28Å; H270-E343 IonicContact ND1-OE1 2.68Å; H270-E343 PolarHBondContact ND1-OE1 3.39Å; S332-E343 PolarHBondContact N-O 3.31Å; S332-E343 PolarHBondContact O-N 2.98Å
344A92.2Very high75.6Confident0 Ų055.1 Ų55.10%031%0.307CS..EExtended strand (participates in β ladder)trans-150.2145172.800000110.6R268 L269 V326 V331R268-A344 CarbonylContact C-O 3.5Å; R268-A344 VanDerWaalsContact CA-O 3.28Å; R268-A344 WeakPolarHBondContact CA-O 3.5Å; L269-A344 HydrophobicContact CB-CB 4.44Å; L269-A344 WeakPolarHBondContact CB-O 3.43Å; L269-A344 PolarHBondContact N-O 2.84Å; L269-A344 PolarHBondContact O-N 2.96Å; V326-A344 HydrophobicContact CG1-CB 3.49Å; V326-A344 VanDerWaalsContact CG1-CB 3.49Å; V326-A344 HydrophobicContact CG2-CB 4.45Å; V331-A344 HydrophobicContact CB-CB 4.5Å; V331-A344 HydrophobicContact CG2-CB 3.96Å
345P88.9Confident74.6Confident49 Ų4957.8 Ų57.832%0.31832%0.323SS..EExtended strand (participates in β ladder)trans-62.9137.716928.6-33.6000110.2
346L83.1Confident73.6Confident23 Ų2360 Ų6012%0.1233%0.334CS..  trans-79.5125.2167-65.5177.4000108.8Y259 K267 L269 E324 V326 K348Y259-L346 HydrophobicContact CD1-CD1 3.85Å; Y259-L346 HydrophobicContact CE1-CD1 3.81Å; K267-L346 HydrophobicContact CB-CD1 4.02Å; K267-L346 PolarHBondContact O-N 2.88Å; K267-L346 VanDerWaalsContact O-N 3.12Å; L269-L346 HydrophobicContact CB-CD2 4.31Å; L269-L346 HydrophobicContact CD1-CD2 4.36Å; E324-L346 HydrophobicContact CB-CD2 4.47Å; V326-L346 HydrophobicContact CG2-CD2 3.87Å; L346-K348 PolarHBondContact O-N 2.99Å
347E70.9Confident72.6Confident42 Ų4260.3 Ų60.320%0.19633%0.334CS..  trans-79.2107.6171.5-64.4-137.7151.100108.8T325 Q349T325-E347 PolarHBondContact O-N 2.87Å; E347-Q349 PolarHBondContact O-N 3.35Å
348K62.3Low71.6Confident136 Ų13660.7 Ų60.759%0.59132%0.322SS*.  trans-54112.7173.5-72.1-175.7-178.5176.60108.6G265 E324 L346 H350G265-K348 PolarHBondContact O-NZ 3.38Å; E324-K348 WeakPolarHBondContact OE2-CA 3.24Å; L346-K348 PolarHBondContact O-N 2.99Å; K348-H350 PolarHBondContact O-N 2.97Å
349Q54.8Low70.3Confident92 Ų9258.9 Ų58.943%0.4331%0.312SS..  trans-56.6135.1166.4-71.9-168.8-2700107.9S124 E347 A351S124-Q349 PolarHBondContact OG-NE2 3.24Å; E347-Q349 PolarHBondContact O-N 3.35Å; Q349-A351 PolarHBondContact O-N 2.79Å
350H52Low68.7Low29 Ų2961.2 Ų61.213%0.13432%0.323CS..  trans-36.2101.2-172.3-57.2108.3000111.9F95 H99 Q188 K348 I352F95-H350 HydrophobicContact CB-CB 4.1Å; F95-H350 HydrophobicContact CD1-CB 4.21Å; F95-H350 AromaticContact CD1-CD2 2.89Å; F95-H350 WeakPolarHBondContact CD1-CD2 3.46Å; F95-H350 AromaticContact CD1-CE1 3.91Å; F95-H350 AromaticContact CD1-CG 3.53Å; F95-H350 AromaticContact CD1-NE2 3.15Å; F95-H350 WeakPolarHBondContact CD1-NE2 3.32Å; F95-H350 AromaticContact CE1-CD2 3.08Å; F95-H350 WeakPolarHBondContact CE1-CD2 3.38Å; F95-H350 AromaticContact CE1-NE2 3.15Å; F95-H350 WeakPolarHBondContact CE1-NE2 3.39Å; F95-H350 HydrophobicContact CG-CB 4.31Å; F95-H350 AromaticContact CG-CD2 3.74Å; H99-H350 PolarHBondContact NE2-O 3.29Å; Q188-H350 VanDerWaalsContact CD-NE2 3.32Å; Q188-H350 PolarHBondContact OE1-CE1 2.68Å; Q188-H350 PolarHBondContact OE1-NE2 2.85Å; K348-H350 PolarHBondContact O-N 2.97Å; H350-I352 PolarHBondContact O-N 2.86Å
351A40.2Very low66.6Low77 Ų7765.6 Ų65.664%0.63635%0.346SS*.  trans-68109172.900000105.6Q349 T353Q349-A351 PolarHBondContact O-N 2.79Å; A351-T353 VanDerWaalsContact C-N 3.25Å; A351-T353 PolarHBondContact O-N 2.91Å; A351-T353 PolarHBondContact O-OG1 2.98Å
352I38Very low64.4Low77 Ų7770.6 Ų70.640%0.39537%0.373SS..  trans-60.7100.8167.2-57.5175.1000104.3H350 H354H350-I352 PolarHBondContact O-N 2.86Å; I352-H354 PolarHBondContact O-N 3.05Å; I352-H354 VanDerWaalsContact O-N 3.13Å
353T32.8Very low61.8Low135 Ų13576.5 Ų76.583%0.82840%0.404SS*.  trans-76.7104.6173.8-38.90000104.2A351A351-T353 VanDerWaalsContact C-N 3.25Å; A351-T353 PolarHBondContact O-N 2.91Å; A351-T353 PolarHBondContact O-OG1 2.98Å
354H31.6Very low58.8Low236 Ų23681.5 Ų81.5100%1.09343%0.431SS*.  trans-65.10-177.3-85.3-74.6000112.8I352I352-H354 PolarHBondContact O-N 3.05Å; I352-H354 VanDerWaalsContact O-N 3.13Å

Retrieved 354 of 354 residues in 75.6 ms (Link to these results)

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