A0A093HID7_STRCA Loading...

D-aspartate oxidase

Selectively catalyzes the oxidative deamination of acidic amino acids. Suppresses the level of D-aspartate in the brain, an amino acid that can act as an agonist for glutamate receptors. Protects the organism from the toxicity of D-amino acids. May also function in the intestine.

AlphaFold DB , UniProt , Accession A0A093HID7, Species STRCA (Struthio camelus australis), Gene n/a, Length 341 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
1M61.2Low91.6Very high162 Ų16240.9 Ų40.980%0.79825%0.25SC*.  0146.20-77.8-174.7-81.700107.4Q333M1-Q333 HydrophobicContact CE-CB 4.15Å; M1-Q333 HydrophobicContact CE-CG 4Å; M1-Q333 HydrophobicContact SD-CG 4.49Å
2A76.3Confident92.2Very high96 Ų9638.9 Ų38.979%0.79324%0.244SC*.PPolyproline II helixtrans-59.8143173.700000109.9
3A86.1Confident92.7Very high50 Ų5036.7 Ų36.741%0.41323%0.23SC..PPolyproline II helixtrans-54.8131.3174.300000110.3K5 A28A3-K5 PolarHBondContact O-N 3.15Å; A3-A28 WeakPolarHBondContact CB-O 3.32Å
4P93.4Very high93.1Very high18 Ų1835.1 Ų35.112%0.11722%0.22CC..PPolyproline II helixtrans-55.7131.1172.6-22.732.4000110.5C29 S30 I329P4-C29 WeakPolarHBondContact O-CA 3.45Å; P4-S30 PolarHBondContact O-N 2.91Å; P4-I329 HydrophobicContact CB-CG1 4.15Å; P4-I329 HydrophobicContact CG-CG1 4.2Å; P4-I329 HydrophobicContact CG-CG2 3.93Å
5K97.5Very high93.5Very high103 Ų10332.9 Ų32.945%0.44821%0.206SC..EExtended strand (participates in β ladder)trans-95.4124.2175.3-65.4-175.1177.2-174.60109.9A3 S30 E175 Y176 N177 I178A3-K5 PolarHBondContact O-N 3.15Å; K5-S30 CarbonylContact C-O 3.51Å; K5-S30 WeakPolarHBondContact CA-O 3.38Å; K5-E175 WeakPolarHBondContact CD-O 3.02Å; K5-Y176 HydrophobicContact CB-CD1 4.05Å; K5-N177 PolarHBondContact N-OD1 3.3Å; K5-N177 PolarHBondContact O-N 3.49Å; K5-I178 PolarHBondContact O-N 3.02Å
6V98.6Very high93.8Very high0 Ų030.8 Ų30.80%019%0.193CC..EExtended strand (participates in β ladder)trans-121.8131.3-177.1-174.70000109.7C29 S30 L31 A32 I178 V180 V325V6-C29 HydrophobicContact CG2-CB 4.44Å; V6-S30 PolarHBondContact N-O 2.98Å; V6-L31 HydrophobicContact CB-CD1 3.68Å; V6-L31 HydrophobicContact CG1-CD1 3.67Å; V6-L31 WeakPolarHBondContact O-CA 3.39Å; V6-A32 PolarHBondContact O-N 2.74Å; V6-I178 WeakPolarHBondContact CA-O 3.34Å; V6-I178 HydrophobicContact CG1-CB 4.43Å; V6-I178 HydrophobicContact CG1-CG2 4.48Å; V6-I178 HydrophobicContact CG2-CB 4.27Å; V6-I178 HydrophobicContact CG2-CD1 4.34Å; V6-V180 HydrophobicContact CG1-CG2 3.86Å; V6-V325 HydrophobicContact CG2-CG1 4.35Å
7A98.8Very high94.1Very high0 Ų029 Ų290%018%0.181CC..EExtended strand (participates in β ladder)trans-111.3127.917000000110.4A32 L172 Y176 I178 V179 V180A7-A32 CarbonylContact C-O 3.56Å; A7-A32 WeakPolarHBondContact CA-O 3.41Å; A7-L172 HydrophobicContact CB-CD1 4.11Å; A7-Y176 HydrophobicContact CB-CD1 3.66Å; A7-Y176 HydrophobicContact CB-CD2 3.67Å; A7-Y176 HydrophobicContact CB-CE1 3.88Å; A7-Y176 HydrophobicContact CB-CE2 3.9Å; A7-Y176 HydrophobicContact CB-CG 3.54Å; A7-I178 PolarHBondContact N-O 3.36Å; A7-V179 CarbonylContact O-C 3.48Å; A7-V179 WeakPolarHBondContact O-CA 3.25Å; A7-V180 PolarHBondContact O-N 3.42Å
8V98.9Very high94.4Very high0 Ų027.4 Ų27.40%017%0.171CC..EExtended strand (participates in β ladder)trans-99.5117.9169.1178.60000108.5A19 I22 L31 A32 V33 V34 V180 C182V8-A19 HydrophobicContact CB-CB 4.39Å; V8-A19 HydrophobicContact CG2-CB 4.02Å; V8-I22 HydrophobicContact CG2-CD1 4.11Å; V8-L31 HydrophobicContact CG2-CD1 3.89Å; V8-A32 PolarHBondContact N-O 2.93Å; V8-V33 HydrophobicContact CB-CG2 4.43Å; V8-V33 CarbonylContact O-C 3.54Å; V8-V33 WeakPolarHBondContact O-CA 3.49Å; V8-V34 PolarHBondContact O-N 2.9Å; V8-V180 CarbonylContact C-O 3.57Å; V8-V180 WeakPolarHBondContact CA-O 3.06Å; V8-V180 HydrophobicContact CB-CB 4.46Å; V8-V180 HydrophobicContact CG2-CB 3.98Å; V8-V180 HydrophobicContact CG2-CG2 4.23Å; V8-C182 HydrophobicContact CG1-CB 4.27Å
9V98.9Very high94.6Very high8 Ų825.9 Ų25.95%0.04816%0.162CC..EExtended strand (participates in β ladder)trans-90.7114.4179-177.30000109.7V34 V166 L169 L172 V179 V180 C182 A183 L190V9-V34 CarbonylContact C-O 3.51Å; V9-V34 VanDerWaalsContact CA-O 3.28Å; V9-V34 WeakPolarHBondContact CA-O 3.4Å; V9-V166 HydrophobicContact CG1-CB 4.45Å; V9-V166 HydrophobicContact CG1-CG2 4.44Å; V9-L169 HydrophobicContact CG2-CD2 4.33Å; V9-L172 HydrophobicContact CG2-CD1 3.6Å; V9-V179 HydrophobicContact CG2-CG1 3.86Å; V9-V180 PolarHBondContact N-O 3.21Å; V9-C182 CarbonylContact O-C 3.55Å; V9-C182 WeakPolarHBondContact O-CA 3.46Å; V9-C182 WeakPolarHBondContact O-CB 3.33Å; V9-C182 PolarHBondContact O-N 3Å; V9-A183 HydrophobicContact CG1-CB 4.36Å; V9-A183 PolarHBondContact O-N 2.89Å; V9-A183 VanDerWaalsContact O-N 3.16Å; V9-L190 HydrophobicContact CG1-CD2 3.99Å
10G98.8Very high94.8Very high11 Ų1124.7 Ų24.711%0.11315%0.154CC..  trans112.5134.7178.800000113.5G15 V34G10-G15 WeakPolarHBondContact O-CA 3.23Å; G10-V34 PolarHBondContact N-O 3.16Å
11A98.7Very high95Very high2 Ų223.7 Ų23.72%0.01715%0.148CC..  trans-114.221.4-17800000113.6L16 V33 A35 F38A11-L16 HydrophobicContact CB-CD2 4.22Å; A11-L16 HydrophobicContact CB-CG 4.49Å; A11-L16 WeakPolarHBondContact O-CD1 3.33Å; A11-V33 HydrophobicContact CB-CG1 4.23Å; A11-A35 HydrophobicContact CB-CB 3.65Å; A11-F38 HydrophobicContact CB-CD1 3.35Å; A11-F38 HydrophobicContact CB-CD2 4.4Å; A11-F38 HydrophobicContact CB-CE1 3.37Å; A11-F38 HydrophobicContact CB-CE2 4.41Å; A11-F38 HydrophobicContact CB-CG 3.89Å; A11-F38 HydrophobicContact CB-CZ 3.93Å
12G98.7Very high96.8Very high17 Ų1716 Ų1618%0.17511%0.11CC..SBendtrans-73.7178.7165.200000111.7V14 G15 L16G12-V14 PolarHBondContact O-N 3.07Å; G12-V14 VanDerWaalsContact O-N 3.1Å; G12-G15 PolarHBondContact O-N 3.26Å; G12-L16 PolarHBondContact O-N 3.16Å
13V98.8Very high97.9Very high10 Ų1012 Ų126%0.0618%0.078CC..Hα-helixtrans-52.9-40.1-174.8710000113.5S17 S44 Y146 L147 F311 H314V13-S17 VanDerWaalsContact O-CB 3.25Å; V13-S17 WeakPolarHBondContact O-CB 3.38Å; V13-S17 PolarHBondContact O-N 3.19Å; V13-S17 PolarHBondContact O-OG 2.83Å; V13-S44 WeakPolarHBondContact CG1-OG 3.39Å; V13-S44 PolarHBondContact N-OG 3.49Å; V13-Y146 HydrophobicContact CG2-CD1 4.1Å; V13-Y146 HydrophobicContact CG2-CE1 3.76Å; V13-L147 HydrophobicContact CB-CD2 3.88Å; V13-L147 HydrophobicContact CG2-CD2 4.34Å; V13-F311 HydrophobicContact CG2-CD2 4.38Å; V13-H314 HydrophobicContact CG1-CB 4.21Å; V13-H314 HydrophobicContact CG2-CB 4.09Å
14V98.8Very high98.4Very high15 Ų1512.9 Ų12.99%0.0917%0.073CC..Hα-helixtrans-70.3-39.2179.7176.30000111.8G12 S17 T18 C182 N303 H314G12-V14 PolarHBondContact O-N 3.07Å; G12-V14 VanDerWaalsContact O-N 3.1Å; V14-S17 PolarHBondContact O-OG 2.94Å; V14-S17 VanDerWaalsContact O-OG 3.12Å; V14-T18 WeakPolarHBondContact O-CB 3.27Å; V14-T18 PolarHBondContact O-N 3.38Å; V14-T18 PolarHBondContact O-OG1 2.88Å; V14-C182 HydrophobicContact CG1-CB 4.49Å; V14-N303 HydrophobicContact CG1-CB 4.4Å; V14-N303 VanDerWaalsContact CG1-ND2 3.33Å; V14-N303 WeakPolarHBondContact CG1-ND2 3.32Å; V14-H314 HydrophobicContact CG2-CB 4.3Å
15G98.9Very high98.6Very high1 Ų115.9 Ų15.91%0.019%0.091CC..Hα-helixtrans-68-49.7179.800000111.5G10 G12 T18 A19 C182G10-G15 WeakPolarHBondContact O-CA 3.23Å; G12-G15 PolarHBondContact O-N 3.26Å; G15-T18 PolarHBondContact O-N 3.03Å; G15-A19 WeakPolarHBondContact O-CB 3.24Å; G15-A19 PolarHBondContact O-N 2.96Å; G15-C182 VanDerWaalsContact CA-CB 3.48Å
16L98.9Very high98.6Very high0 Ų013.4 Ų13.40%08%0.081CC..Hα-helixtrans-65.9-39.9179.6-63.3177.9000112.2A11 G12 A19 L20 V33 L147 L150 E151 L154A11-L16 HydrophobicContact CB-CD2 4.22Å; A11-L16 HydrophobicContact CB-CG 4.49Å; A11-L16 WeakPolarHBondContact O-CD1 3.33Å; G12-L16 PolarHBondContact O-N 3.16Å; L16-A19 PolarHBondContact O-N 3.4Å; L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 PolarHBondContact O-N 3.29Å; L16-V33 HydrophobicContact CD2-CG1 4.33Å; L16-L147 HydrophobicContact CD1-CB 4.12Å; L16-L147 HydrophobicContact CD1-CD2 4.05Å; L16-L150 HydrophobicContact CB-CB 3.94Å; L16-L150 HydrophobicContact CB-CD1 3.87Å; L16-L150 HydrophobicContact CD1-CB 4.26Å; L16-E151 HydrophobicContact CD1-CG 3.9Å; L16-E151 HydrophobicContact CD2-CG 4.1Å; L16-L154 HydrophobicContact CB-CD1 4.3Å; L16-L154 HydrophobicContact CD2-CD1 3.68Å
17S98.9Very high98.3Very high0 Ų018.6 Ų18.60%011%0.114CC..Hα-helixtrans-66.2-41.7174.965.80000112.5V13 V14 L20 C21 H314V13-S17 VanDerWaalsContact O-CB 3.25Å; V13-S17 WeakPolarHBondContact O-CB 3.38Å; V13-S17 PolarHBondContact O-N 3.19Å; V13-S17 PolarHBondContact O-OG 2.83Å; V14-S17 PolarHBondContact O-OG 2.94Å; V14-S17 VanDerWaalsContact O-OG 3.12Å; S17-L20 PolarHBondContact O-N 3.12Å; S17-C21 PolarHBondContact O-N 3.27Å; S17-C21 PolarHBondContact O-SG 3.42Å; S17-H314 VanDerWaalsContact CB-CD2 3.49Å; S17-H314 WeakPolarHBondContact CB-CD2 3.26Å; S17-H314 PolarHBondContact OG-O 2.92Å; S17-H314 VanDerWaalsContact OG-O 3.13Å
18T98.9Very high97.9Very high0 Ų022.4 Ų22.40%015%0.146CC..Hα-helixtrans-62-45.2176.6-59.90000111V14 G15 L20 C21 I22 V180 N303 A321V14-T18 WeakPolarHBondContact O-CB 3.27Å; V14-T18 PolarHBondContact O-N 3.38Å; V14-T18 PolarHBondContact O-OG1 2.88Å; G15-T18 PolarHBondContact O-N 3.03Å; T18-L20 VanDerWaalsContact C-N 3.31Å; T18-L20 PolarHBondContact O-N 3.48Å; T18-C21 PolarHBondContact O-N 3.14Å; T18-I22 HydrophobicContact CG2-CD1 3.79Å; T18-I22 HydrophobicContact CG2-CG1 4.48Å; T18-I22 WeakPolarHBondContact O-CD1 3.33Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.49Å; T18-I22 PolarHBondContact O-N 3.4Å; T18-V180 HydrophobicContact CG2-CG1 3.78Å; T18-N303 PolarHBondContact OG1-ND2 3.45Å; T18-A321 HydrophobicContact CG2-CB 3.68Å
19A98.9Very high97.7Very high0 Ų023.5 Ų23.50%015%0.153CC..Hα-helixtrans-58.2-43.9174.800000111.5V8 G15 L16 I22 A23 L31 V33 L154V8-A19 HydrophobicContact CB-CB 4.39Å; V8-A19 HydrophobicContact CG2-CB 4.02Å; G15-A19 WeakPolarHBondContact O-CB 3.24Å; G15-A19 PolarHBondContact O-N 2.96Å; L16-A19 PolarHBondContact O-N 3.4Å; A19-I22 PolarHBondContact O-N 3.18Å; A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 3.14Å; A19-L31 HydrophobicContact CB-CD2 4.04Å; A19-L31 WeakPolarHBondContact O-CD2 3.41Å; A19-V33 HydrophobicContact CB-CG2 3.66Å; A19-L154 HydrophobicContact CB-CD1 4.09Å; A19-L154 HydrophobicContact CB-CD2 3.73Å
20L98.8Very high97.5Very high0 Ų026.1 Ų26.10%017%0.172CC..Hα-helixtrans-66.5-44.1-179.2-176.158.9000111.4L16 S17 T18 I22 A23 E24 L150 R153 L154 K157 W315L16-L20 WeakPolarHBondContact O-CB 3.37Å; L16-L20 PolarHBondContact O-N 3.29Å; S17-L20 PolarHBondContact O-N 3.12Å; T18-L20 VanDerWaalsContact C-N 3.31Å; T18-L20 PolarHBondContact O-N 3.48Å; L20-I22 VanDerWaalsContact C-N 3.32Å; L20-I22 PolarHBondContact O-N 3.47Å; L20-A23 PolarHBondContact O-N 3.25Å; L20-E24 HydrophobicContact CD1-CG 4.2Å; L20-E24 WeakPolarHBondContact O-CB 3.35Å; L20-E24 WeakPolarHBondContact O-CG 3.19Å; L20-E24 PolarHBondContact O-N 2.98Å; L20-L150 HydrophobicContact CD2-CD2 3.71Å; L20-R153 HydrophobicContact CD1-CB 4.11Å; L20-R153 HydrophobicContact CD2-CB 4.31Å; L20-L154 HydrophobicContact CB-CD2 4.03Å; L20-L154 HydrophobicContact CD1-CD2 4.35Å; L20-K157 HydrophobicContact CD1-CD 3.91Å; L20-W315 HydrophobicContact CD2-CH2 3.92Å; L20-W315 HydrophobicContact CD2-CZ3 4.11Å; L20-W315 HydrophobicContact CG-CH2 4.19Å
21C98.8Very high97.5Very high4 Ų426.1 Ų26.13%0.02717%0.169CC..Hα-helixtrans-60-40.7174.4-70.70000112.1S17 T18 T25 A318 A322S17-C21 PolarHBondContact O-N 3.27Å; S17-C21 PolarHBondContact O-SG 3.42Å; T18-C21 PolarHBondContact O-N 3.14Å; C21-T25 VanDerWaalsContact O-CB 3.26Å; C21-T25 WeakPolarHBondContact O-CB 3.23Å; C21-T25 PolarHBondContact O-N 2.8Å; C21-T25 PolarHBondContact O-OG1 3.1Å; C21-A318 HydrophobicContact CB-CB 4.28Å; C21-A322 HydrophobicContact CB-CB 3.98Å
22I98.8Very high97.5Very high0 Ų026.2 Ų26.20%017%0.17CC..Hα-helixtrans-64.6-47.7176.7-67.9162.3000110.5V8 T18 A19 L20 E24 T25 F26 L31 V180 A322 V325V8-I22 HydrophobicContact CG2-CD1 4.11Å; T18-I22 HydrophobicContact CG2-CD1 3.79Å; T18-I22 HydrophobicContact CG2-CG1 4.48Å; T18-I22 WeakPolarHBondContact O-CD1 3.33Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.49Å; T18-I22 PolarHBondContact O-N 3.4Å; A19-I22 PolarHBondContact O-N 3.18Å; L20-I22 VanDerWaalsContact C-N 3.32Å; L20-I22 PolarHBondContact O-N 3.47Å; I22-E24 VanDerWaalsContact C-N 3.31Å; I22-E24 PolarHBondContact O-N 3.11Å; I22-T25 PolarHBondContact O-N 3.2Å; I22-F26 HydrophobicContact CG2-CD2 4.37Å; I22-F26 PolarHBondContact O-N 3.45Å; I22-L31 HydrophobicContact CB-CD2 4.3Å; I22-L31 HydrophobicContact CG2-CD1 4.09Å; I22-L31 HydrophobicContact CG2-CD2 4.24Å; I22-V180 HydrophobicContact CD1-CG2 3.95Å; I22-A322 HydrophobicContact CG1-CB 3.91Å; I22-V325 HydrophobicContact CD1-CG2 3.9Å; I22-V325 HydrophobicContact CG1-CB 4.47Å; I22-V325 HydrophobicContact CG1-CG2 4.33Å; I22-V325 HydrophobicContact CG2-CG1 4.39Å
23A98.3Very high97.5Very high13 Ų1325.4 Ų25.411%0.10716%0.161CC..Hα-helixtrans-63.8-34.3-179.800000112.9A19 L20 L31 K157 V159A19-A23 WeakPolarHBondContact O-CB 3.48Å; A19-A23 PolarHBondContact O-N 3.14Å; L20-A23 PolarHBondContact O-N 3.25Å; A23-L31 HydrophobicContact CB-CD2 3.95Å; A23-K157 HydrophobicContact CB-CB 4.48Å; A23-K157 HydrophobicContact CB-CD 3.95Å; A23-V159 HydrophobicContact CB-CG2 4.05Å
24E97.6Very high97.5Very high68 Ų6825 Ų2532%0.31816%0.159SC..Hα-helixtrans-75.1-36.6175.6-72.7177.6167.600112.3L20 I22 R153 K157L20-E24 HydrophobicContact CD1-CG 4.2Å; L20-E24 WeakPolarHBondContact O-CB 3.35Å; L20-E24 WeakPolarHBondContact O-CG 3.19Å; L20-E24 PolarHBondContact O-N 2.98Å; I22-E24 VanDerWaalsContact C-N 3.31Å; I22-E24 PolarHBondContact O-N 3.11Å; E24-R153 IonicContact OE1-NH2 3.05Å; E24-R153 PolarHBondContact OE1-NH2 3.3Å; E24-K157 HydrophobicContact CG-CD 4.26Å; E24-K157 VanDerWaalsContact CG-CE 3.43Å
25T97.8Very high97.5Very high81 Ų8124.6 Ų24.650%0.49716%0.157SC..Hα-helixtrans-82.1-34.7-177.5-51.60000112.5C21 I22C21-T25 VanDerWaalsContact O-CB 3.26Å; C21-T25 WeakPolarHBondContact O-CB 3.23Å; C21-T25 PolarHBondContact O-N 2.8Å; C21-T25 PolarHBondContact O-OG1 3.1Å; I22-T25 PolarHBondContact O-N 3.2Å
26F96.6Very high97.5Very high52 Ų5228.9 Ų28.923%0.22818%0.18CC..  trans-128.972.1-176.9-50-74.3000111.9I22 A28 C29 A322 I329I22-F26 HydrophobicContact CG2-CD2 4.37Å; I22-F26 PolarHBondContact O-N 3.45Å; F26-A28 PolarHBondContact O-N 3.32Å; F26-C29 HydrophobicContact CB-CB 4.31Å; F26-C29 VanDerWaalsContact CB-SG 3.55Å; F26-C29 WeakPolarHBondContact O-CB 3.48Å; F26-C29 PolarHBondContact O-N 3.18Å; F26-A322 VanDerWaalsContact CE2-O 3.31Å; F26-A322 WeakPolarHBondContact CE2-O 3.47Å; F26-I329 HydrophobicContact CB-CD1 4.42Å; F26-I329 HydrophobicContact CD1-CD1 4.19Å; F26-I329 HydrophobicContact CD2-CD1 4.22Å; F26-I329 HydrophobicContact CG-CD1 4.01Å
27P92.9Very high97.4Very high109 Ų10935.3 Ų35.371%0.70820%0.204SC*.THydrogen-bonded Turntrans-59.6-21.3-177.1-24.434.4000114.7C29P27-C29 VanDerWaalsContact C-N 3.3Å
28A91.1Very high97.4Very high80 Ų8036.7 Ų36.766%0.66121%0.21SC*.THydrogen-bonded Turntrans-80.1-6.1177.400000113.7A3 F26A3-A28 WeakPolarHBondContact CB-O 3.32Å; F26-A28 PolarHBondContact O-N 3.32Å
29C93.1Very high97.3Very high23 Ų2337.8 Ų37.816%0.15522%0.217CC..SBendtrans-82.4138.7177.7-680000111.1P4 V6 F26 P27 L31 I329P4-C29 WeakPolarHBondContact O-CA 3.45Å; V6-C29 HydrophobicContact CG2-CB 4.44Å; F26-C29 HydrophobicContact CB-CB 4.31Å; F26-C29 VanDerWaalsContact CB-SG 3.55Å; F26-C29 WeakPolarHBondContact O-CB 3.48Å; F26-C29 PolarHBondContact O-N 3.18Å; P27-C29 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 3.49Å; C29-I329 WeakPolarHBondContact SG-CD1 3.28Å
30S96.3Very high97.2Very high62 Ų6241.5 Ų41.543%0.43424%0.241SC..EExtended strand (participates in β ladder)trans-82.7113166.9178.40000108.1P4 K5 V6P4-S30 PolarHBondContact O-N 2.91Å; K5-S30 CarbonylContact C-O 3.51Å; K5-S30 WeakPolarHBondContact CA-O 3.38Å; V6-S30 PolarHBondContact N-O 2.98Å
31L98.1Very high97.1Very high11 Ų1146.6 Ų46.66%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-114.7138.5-173.8-175.569000111V6 V8 A19 I22 A23 C29 V159 Q160V6-L31 HydrophobicContact CB-CD1 3.68Å; V6-L31 HydrophobicContact CG1-CD1 3.67Å; V6-L31 WeakPolarHBondContact O-CA 3.39Å; V8-L31 HydrophobicContact CG2-CD1 3.89Å; A19-L31 HydrophobicContact CB-CD2 4.04Å; A19-L31 WeakPolarHBondContact O-CD2 3.41Å; I22-L31 HydrophobicContact CB-CD2 4.3Å; I22-L31 HydrophobicContact CG2-CD1 4.09Å; I22-L31 HydrophobicContact CG2-CD2 4.24Å; A23-L31 HydrophobicContact CB-CD2 3.95Å; C29-L31 PolarHBondContact O-N 3.49Å; L31-V159 HydrophobicContact CB-CG1 4.32Å; L31-V159 HydrophobicContact CB-CG2 4.26Å; L31-V159 HydrophobicContact CD2-CG1 4.09Å; L31-V159 HydrophobicContact CD2-CG2 3.93Å; L31-V159 HydrophobicContact CG-CG1 4Å; L31-V159 HydrophobicContact CG-CG2 4.4Å; L31-Q160 PolarHBondContact O-N 2.83Å
32A98.6Very high97Very high4 Ų447.1 Ų47.13%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-132.5148.1168.200000111.1V6 A7 V8 Q160 Y162 Y176V6-A32 PolarHBondContact O-N 2.74Å; A7-A32 CarbonylContact C-O 3.56Å; A7-A32 WeakPolarHBondContact CA-O 3.41Å; V8-A32 PolarHBondContact N-O 2.93Å; A32-Q160 CarbonylContact C-O 3.58Å; A32-Q160 VanDerWaalsContact CA-O 3.28Å; A32-Q160 WeakPolarHBondContact CA-O 3.45Å; A32-Q160 HydrophobicContact CB-CB 4.3Å; A32-Y162 HydrophobicContact CB-CD2 3.95Å; A32-Y162 HydrophobicContact CB-CE2 3.82Å; A32-Y176 HydrophobicContact CB-CE1 3.96Å; A32-Y176 WeakPolarHBondContact CB-OH 3.42Å
33V98.9Very high97Very high0 Ų049.9 Ų49.90%029%0.288CS..EExtended strand (participates in β ladder)trans-102.5128.4166-178.50000108V8 A11 L16 A19 F38 L154 V159 Q160 L161 Y162V8-V33 HydrophobicContact CB-CG2 4.43Å; V8-V33 CarbonylContact O-C 3.54Å; V8-V33 WeakPolarHBondContact O-CA 3.49Å; A11-V33 HydrophobicContact CB-CG1 4.23Å; L16-V33 HydrophobicContact CD2-CG1 4.33Å; A19-V33 HydrophobicContact CB-CG2 3.66Å; V33-F38 HydrophobicContact CG1-CE1 4.36Å; V33-F38 HydrophobicContact CG1-CZ 4.41Å; V33-L154 HydrophobicContact CG2-CD1 4.27Å; V33-V159 HydrophobicContact CG2-CG1 4.22Å; V33-Q160 PolarHBondContact N-O 3.08Å; V33-L161 HydrophobicContact CB-CD2 3.63Å; V33-L161 HydrophobicContact CG1-CD2 4.48Å; V33-L161 HydrophobicContact CG2-CD2 3.74Å; V33-Y162 PolarHBondContact O-N 2.83Å
34V98.8Very high96.9Very high3 Ų350.3 Ų50.32%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-121.3119.9179.8-171.10000108.3V8 V9 G10 Y162 R164 V166V8-V34 PolarHBondContact O-N 2.9Å; V9-V34 CarbonylContact C-O 3.51Å; V9-V34 VanDerWaalsContact CA-O 3.28Å; V9-V34 WeakPolarHBondContact CA-O 3.4Å; G10-V34 PolarHBondContact N-O 3.16Å; V34-Y162 WeakPolarHBondContact CA-O 3.49Å; V34-Y162 HydrophobicContact CG2-CD2 4.39Å; V34-R164 HydrophobicContact CG1-CB 3.86Å; V34-R164 HydrophobicContact CG1-CG 4.31Å; V34-V166 HydrophobicContact CB-CG2 4.49Å; V34-V166 HydrophobicContact CG1-CG2 3.7Å
35A98.6Very high96.9Very high5 Ų547.8 Ų47.84%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-149.1151.4179.200000111.5A11 R37 F38 Y162 T163 R164A11-A35 HydrophobicContact CB-CB 3.65Å; A35-R37 WeakPolarHBondContact CB-O 3.29Å; A35-F38 HydrophobicContact CB-CD2 4.37Å; A35-F38 HydrophobicContact CB-CE2 3.84Å; A35-F38 HydrophobicContact CB-CZ 4.05Å; A35-Y162 PolarHBondContact N-O 3.24Å; A35-T163 CarbonylContact O-C 3.59Å; A35-T163 VanDerWaalsContact O-CA 3.26Å; A35-T163 WeakPolarHBondContact O-CA 3.41Å; A35-R164 CarbonylContact C-O 3.5Å; A35-R164 PolarHBondContact O-N 3.42Å
36D97.8Very high96.9Very high92 Ų9245 Ų4549%0.49226%0.262SS..SBendtrans-79.3-21.8171.765.9-27.5000112.6R164 K165D36-R164 PolarHBondContact N-O 3.04Å; D36-K165 HydrophobicContact CB-CB 4.07Å; D36-K165 HydrophobicContact CB-CG 4.39Å
37R97.8Very high96.8Very high135 Ų13544.1 Ų44.151%0.50926%0.264SS..  trans-136137.7178.7-57.5-176.2-169.3-172.2-2.4111.1A35 D41A35-R37 WeakPolarHBondContact CB-O 3.29Å; R37-D41 HydrophobicContact CB-CB 4.41Å; R37-D41 VanDerWaalsContact CD-O 3.29Å; R37-D41 WeakPolarHBondContact CD-O 3.47Å
38F98.3Very high97Very high28 Ų2839.8 Ų39.812%0.12324%0.237CC..  trans-117.7178.3169.5-74.4-97.4000109.2A11 V33 A35 D41 L161A11-F38 HydrophobicContact CB-CD1 3.35Å; A11-F38 HydrophobicContact CB-CD2 4.4Å; A11-F38 HydrophobicContact CB-CE1 3.37Å; A11-F38 HydrophobicContact CB-CE2 4.41Å; A11-F38 HydrophobicContact CB-CG 3.89Å; A11-F38 HydrophobicContact CB-CZ 3.93Å; V33-F38 HydrophobicContact CG1-CE1 4.36Å; V33-F38 HydrophobicContact CG1-CZ 4.41Å; A35-F38 HydrophobicContact CB-CD2 4.37Å; A35-F38 HydrophobicContact CB-CE2 3.84Å; A35-F38 HydrophobicContact CB-CZ 4.05Å; F38-D41 PolarHBondContact O-N 3.43Å; F38-L161 HydrophobicContact CE1-CB 4Å; F38-L161 HydrophobicContact CE1-CD1 4.26Å; F38-L161 HydrophobicContact CE1-CD2 4.49Å; F38-L161 HydrophobicContact CE1-CG 4.48Å; F38-L161 HydrophobicContact CZ-CB 4.07Å
39T97.5Very high97.2Very high24 Ų2436.1 Ų36.115%0.14721%0.208CC..THydrogen-bonded Turntrans-51.5130.3170.5-51.70000110.1D45 P144 L147 L148 E151T39-D45 WeakPolarHBondContact CG2-OD1 3.36Å; T39-P144 HydrophobicContact CG2-CB 4.03Å; T39-L147 HydrophobicContact CG2-CB 4.35Å; T39-L147 WeakPolarHBondContact OG1-CB 3.25Å; T39-L147 WeakPolarHBondContact OG1-CD1 3.47Å; T39-L148 HydrophobicContact CG2-CD2 4.18Å; T39-L148 HydrophobicContact CG2-CG 4.01Å; T39-E151 PolarHBondContact OG1-OE1 3.1Å
40P96.2Very high97.4Very high78 Ų7835.8 Ų35.851%0.50620%0.204SC..THydrogen-bonded Turncis-100.820.613.540.3-36.4000115.4D45P40-D45 WeakPolarHBondContact O-CB 3.34Å
41D96.5Very high97.5Very high107 Ų10732.9 Ų32.957%0.57218%0.184SC*.SBendtrans-106.520.3-167-62.7-48.2000114.3R37 F38 D45R37-D41 HydrophobicContact CB-CB 4.41Å; R37-D41 VanDerWaalsContact CD-O 3.29Å; R37-D41 WeakPolarHBondContact CD-O 3.47Å; F38-D41 PolarHBondContact O-N 3.43Å; D41-D45 PolarHBondContact N-OD2 2.82Å
42T97.9Very high97.4Very high14 Ų1432.7 Ų32.79%0.08618%0.183CC..SBendtrans-96160.5177.678.80000112.1S44 D45T42-S44 PolarHBondContact O-N 3.44Å; T42-S44 WeakPolarHBondContact OG1-CB 3.41Å; T42-S44 PolarHBondContact OG1-N 3.45Å; T42-S44 VanDerWaalsContact OG1-N 3.16Å; T42-D45 WeakPolarHBondContact CA-OD2 3.44Å; T42-D45 VanDerWaalsContact CB-OD2 3.31Å; T42-D45 WeakPolarHBondContact CB-OD2 3.12Å; T42-D45 PolarHBondContact N-OD2 3.01Å; T42-D45 WeakPolarHBondContact O-CB 3.38Å; T42-D45 PolarHBondContact O-N 2.97Å; T42-D45 PolarHBondContact OG1-N 3.27Å; T42-D45 PolarHBondContact OG1-OD2 3.35Å
43T97.6Very high97.1Very high59 Ų5933 Ų3336%0.36218%0.184SC..Hα-helixtrans-58.1-30.2168.2-58.80000111.8D45 V46 A47 L277T43-D45 VanDerWaalsContact C-N 3.32Å; T43-D45 PolarHBondContact O-N 3.38Å; T43-V46 PolarHBondContact O-N 3.26Å; T43-A47 PolarHBondContact O-N 3.11Å; T43-L277 VanDerWaalsContact CG2-O 3.3Å; T43-L277 WeakPolarHBondContact CG2-O 3.1Å
44S97.9Very high96.7Very high22 Ų2235.5 Ų35.515%0.15420%0.196CC..Hα-helixtrans-66.1-34179.2-660000112.1V13 T42 V46 A47 C143V13-S44 WeakPolarHBondContact CG1-OG 3.39Å; V13-S44 PolarHBondContact N-OG 3.49Å; T42-S44 PolarHBondContact O-N 3.44Å; T42-S44 WeakPolarHBondContact OG1-CB 3.41Å; T42-S44 PolarHBondContact OG1-N 3.45Å; T42-S44 VanDerWaalsContact OG1-N 3.16Å; S44-V46 PolarHBondContact O-N 2.85Å; S44-A47 VanDerWaalsContact O-CB 3.25Å; S44-A47 WeakPolarHBondContact O-CB 3.25Å; S44-A47 PolarHBondContact O-N 3.19Å; S44-A47 VanDerWaalsContact O-N 3.11Å; S44-C143 WeakPolarHBondContact O-CB 3.43Å
45D97.1Very high96.2Very high15 Ų1539.7 Ų39.78%0.0822%0.222CC..Hα-helixtrans-63.1-30.1176-67.2-68.7000113.5T39 P40 D41 T42 T43 A47 P144 L147T39-D45 WeakPolarHBondContact CG2-OD1 3.36Å; P40-D45 WeakPolarHBondContact O-CB 3.34Å; D41-D45 PolarHBondContact N-OD2 2.82Å; T42-D45 WeakPolarHBondContact CA-OD2 3.44Å; T42-D45 VanDerWaalsContact CB-OD2 3.31Å; T42-D45 WeakPolarHBondContact CB-OD2 3.12Å; T42-D45 PolarHBondContact N-OD2 3.01Å; T42-D45 WeakPolarHBondContact O-CB 3.38Å; T42-D45 PolarHBondContact O-N 2.97Å; T42-D45 PolarHBondContact OG1-N 3.27Å; T42-D45 PolarHBondContact OG1-OD2 3.35Å; T43-D45 VanDerWaalsContact C-N 3.32Å; T43-D45 PolarHBondContact O-N 3.38Å; D45-A47 VanDerWaalsContact C-N 3.34Å; D45-P144 HydrophobicContact CB-CG 4.28Å; D45-P144 WeakPolarHBondContact OD1-CA 3.36Å; D45-P144 WeakPolarHBondContact OD1-CB 3.46Å; D45-P144 WeakPolarHBondContact OD1-CG 3.28Å; D45-L147 WeakPolarHBondContact OD1-CD1 3.37Å
46V96.8Very high95.8Very high22 Ų2240.2 Ų40.213%0.13323%0.226CC..Hα-helixtrans-81.8-17.6178.9-179.10000111.9T43 S44 V203 K274T43-V46 PolarHBondContact O-N 3.26Å; S44-V46 PolarHBondContact O-N 2.85Å; V46-V203 HydrophobicContact CG1-CG2 4.15Å; V46-K274 HydrophobicContact CG1-CB 3.78Å; V46-K274 HydrophobicContact CG2-CB 4.36Å
47A95.9Very high95.4Very high33 Ų3341.3 Ų41.327%0.27324%0.239SC..SBendtrans-58.8148.6-17400000112.3T43 S44 D45 G49T43-A47 PolarHBondContact O-N 3.11Å; S44-A47 VanDerWaalsContact O-CB 3.25Å; S44-A47 WeakPolarHBondContact O-CB 3.25Å; S44-A47 PolarHBondContact O-N 3.19Å; S44-A47 VanDerWaalsContact O-N 3.11Å; D45-A47 VanDerWaalsContact C-N 3.34Å; A47-G49 PolarHBondContact O-N 2.95Å
48A96.1Very high95.2Very high18 Ų1836.7 Ų36.715%0.14923%0.232CC..  trans-64.1-28174.300000112.6M50 Y223 Y225 T232A48-M50 VanDerWaalsContact C-N 3.29Å; A48-M50 PolarHBondContact O-N 3.13Å; A48-Y223 HydrophobicContact CB-CE2 4.06Å; A48-Y225 HydrophobicContact CB-CD2 3.51Å; A48-Y225 HydrophobicContact CB-CE2 3.75Å; A48-T232 HydrophobicContact CB-CG2 4.33Å
49G95.7Very high95.1Very high4 Ų435.9 Ų35.94%0.04123%0.23CC..  trans76.47174.700000115.4A47 K140 C141 F311A47-G49 PolarHBondContact O-N 2.95Å; G49-K140 CarbonylContact O-C 3.42Å; G49-K140 WeakPolarHBondContact O-CA 3.38Å; G49-C141 WeakPolarHBondContact CA-O 3.05Å; G49-C141 PolarHBondContact O-N 2.64Å; G49-F311 WeakPolarHBondContact O-CE1 3.48Å
50M97.6Very high95Very high16 Ų1638 Ų388%0.07924%0.244CC..BIsolated β-bridgetrans-74.2135.7173.7-74.2-64.5-68.500111.7A48 I52 V92 T138 K140 F214 Y225A48-M50 VanDerWaalsContact C-N 3.29Å; A48-M50 PolarHBondContact O-N 3.13Å; M50-I52 VanDerWaalsContact C-N 3.28Å; M50-I52 HydrophobicContact CB-CD1 4.42Å; M50-I52 HydrophobicContact CB-CG1 4.44Å; M50-I52 HydrophobicContact CE-CD1 4.12Å; M50-I52 PolarHBondContact O-N 3.42Å; M50-V92 HydrophobicContact CE-CG1 3.74Å; M50-V92 HydrophobicContact SD-CG1 3.77Å; M50-T138 HydrophobicContact CE-CG2 3.6Å; M50-K140 HydrophobicContact SD-CB 3.88Å; M50-K140 HydrophobicContact SD-CD 4.01Å; M50-K140 HydrophobicContact SD-CG 3.82Å; M50-F214 HydrophobicContact CE-CB 3.84Å; M50-F214 HydrophobicContact CE-CD1 3.55Å; M50-F214 HydrophobicContact CE-CD2 4.08Å; M50-F214 HydrophobicContact CE-CE1 4.12Å; M50-F214 HydrophobicContact CE-CG 3.55Å; M50-Y225 HydrophobicContact CB-CD2 4.18Å; M50-Y225 HydrophobicContact CB-CE1 4.43Å; M50-Y225 HydrophobicContact CB-CE2 4.01Å; M50-Y225 HydrophobicContact CB-CG 4.44Å; M50-Y225 HydrophobicContact CE-CD1 4.2Å; M50-Y225 HydrophobicContact CE-CE1 4.31Å; M50-Y225 HydrophobicContact CG-CD1 3.38Å; M50-Y225 HydrophobicContact CG-CD2 3.3Å; M50-Y225 HydrophobicContact CG-CE1 3.64Å; M50-Y225 HydrophobicContact CG-CE2 3.55Å; M50-Y225 HydrophobicContact CG-CG 3.19Å; M50-Y225 HydrophobicContact SD-CD1 3.96Å; M50-Y225 HydrophobicContact SD-CE1 4.5Å; M50-Y225 HydrophobicContact SD-CG 4.02Å
51L98.1Very high95Very high0 Ų038.7 Ų38.70%024%0.242CC..  trans-86.370.5176.4-159.370.7000111F68 T71 F72 L75 T138 L139 F311L51-F68 HydrophobicContact CD1-CE2 4.46Å; L51-F68 HydrophobicContact CD2-CE2 4.49Å; L51-F68 HydrophobicContact CG-CE2 3.86Å; L51-F68 HydrophobicContact CG-CZ 4.49Å; L51-T71 HydrophobicContact CD1-CG2 4.1Å; L51-F72 HydrophobicContact CD2-CB 4.15Å; L51-F72 HydrophobicContact CD2-CD2 3.55Å; L51-F72 HydrophobicContact CD2-CE2 4.28Å; L51-F72 HydrophobicContact CD2-CG 4.19Å; L51-L75 HydrophobicContact CD1-CD1 3.64Å; L51-L75 HydrophobicContact CD2-CD1 3.91Å; L51-L75 HydrophobicContact CG-CD1 4.4Å; L51-T138 PolarHBondContact O-OG1 3.09Å; L51-L139 HydrophobicContact CB-CB 4.16Å; L51-L139 WeakPolarHBondContact CB-O 3.37Å; L51-L139 HydrophobicContact CD2-CB 3.95Å; L51-L139 HydrophobicContact CD2-CD1 4Å; L51-L139 HydrophobicContact CD2-CG 4.36Å; L51-L139 PolarHBondContact N-O 3.08Å; L51-F311 HydrophobicContact CB-CE1 4.07Å; L51-F311 HydrophobicContact CD1-CD1 3.89Å; L51-F311 HydrophobicContact CD1-CE1 3.57Å; L51-F311 HydrophobicContact CD1-CZ 4.21Å; L51-F311 HydrophobicContact CG-CE1 4.43Å
52I95.6Very high95.1Very high7 Ų740.1 Ų40.14%0.03625%0.246CC..  trans-123.9120.8173.9-60.7173000106.9M50 W109 F136 T138 F214M50-I52 VanDerWaalsContact C-N 3.28Å; M50-I52 HydrophobicContact CB-CD1 4.42Å; M50-I52 HydrophobicContact CB-CG1 4.44Å; M50-I52 HydrophobicContact CE-CD1 4.12Å; M50-I52 PolarHBondContact O-N 3.42Å; I52-W109 HydrophobicContact CG2-CZ2 4.29Å; I52-F136 HydrophobicContact CD1-CE2 4.47Å; I52-F136 HydrophobicContact CD1-CZ 4.1Å; I52-F136 HydrophobicContact CG1-CE2 4.31Å; I52-F136 HydrophobicContact CG1-CZ 4.3Å; I52-T138 HydrophobicContact CG1-CG2 4.49Å; I52-F214 HydrophobicContact CD1-CE2 4.49Å
53P93.1Very high95.1Very high11 Ų1141.4 Ų41.47%0.07125%0.253CS..PPolyproline II helixtrans-73.3137.1-175.331-32.3000110.4F68 F108 W109P53-F68 HydrophobicContact CB-CB 4.33Å; P53-F68 HydrophobicContact CB-CD2 3.73Å; P53-F68 HydrophobicContact CB-CE2 4.14Å; P53-F68 HydrophobicContact CB-CG 3.96Å; P53-F68 HydrophobicContact CG-CD1 4.1Å; P53-F68 HydrophobicContact CG-CD2 3.91Å; P53-F68 HydrophobicContact CG-CE1 4.18Å; P53-F68 HydrophobicContact CG-CE2 3.96Å; P53-F68 HydrophobicContact CG-CG 3.98Å; P53-F68 HydrophobicContact CG-CZ 4.12Å; P53-F108 HydrophobicContact CB-CZ 4.15Å; P53-F108 HydrophobicContact CG-CE2 4.39Å; P53-F108 HydrophobicContact CG-CZ 4.11Å; P53-W109 HydrophobicContact CG-CB 3.72Å; P53-W109 HydrophobicContact CG-CD2 3.92Å; P53-W109 HydrophobicContact CG-CG 3.32Å
54H90.2Very high95.1Very high52 Ų5239 Ų3924%0.24124%0.238CC..PPolyproline II helixtrans-100.4131171.8-73.4-82.5000109.4A56 R237 A308H54-A56 PolarHBondContact O-N 2.92Å; H54-R237 PolarHBondContact CE1-NH2 3.47Å; H54-A308 HydrophobicContact CB-CB 4.08Å; H54-A308 PolarHBondContact CD2-O 2.95Å; H54-A308 VanDerWaalsContact CD2-O 3.25Å
55T88.1Confident95.1Very high91 Ų9140.8 Ų40.856%0.55824%0.243SC*.PPolyproline II helixtrans-64124.3178.5-46.50000110.9P57T55-P57 WeakPolarHBondContact O-CD 3.4Å
56A90.4Very high95.1Very high17 Ų1744.3 Ų44.314%0.1426%0.259CS..  trans-94.4104.5164.700000108.5H54 G58 T59 Q64 A282H54-A56 PolarHBondContact O-N 2.92Å; A56-G58 PolarHBondContact O-N 3.36Å; A56-G58 VanDerWaalsContact O-N 3.07Å; A56-T59 PolarHBondContact O-N 3.15Å; A56-Q64 PolarHBondContact O-NE2 3.26Å; A56-A282 CarbonylContact C-O 3.54Å
57P89.6Confident95.2Very high115 Ų11544.6 Ų44.675%0.74726%0.258SS*.THydrogen-bonded Turntrans-57.8-30.5-167.2-27.435.3000115.2T55T55-P57 WeakPolarHBondContact O-CD 3.4Å
58G93.4Very high95.4Very high37 Ų3743 Ų4338%0.38125%0.245SC..THydrogen-bonded Turntrans-91.71.3-179.300000114.8A56 A282 C283A56-G58 PolarHBondContact O-N 3.36Å; A56-G58 VanDerWaalsContact O-N 3.07Å; G58-A282 WeakPolarHBondContact CA-O 3.27Å; G58-A282 PolarHBondContact N-O 3.02Å; G58-C283 WeakPolarHBondContact CA-SG 3.24Å; G58-C283 PolarHBondContact O-SG 3.03Å
59T95.3Very high95.5Very high11 Ų1147.2 Ų47.27%0.06726%0.259CS..SBendtrans-103.4132.2172.9-60.10000108.9A56 I61 V63 Q64 W67 V284A56-T59 PolarHBondContact O-N 3.15Å; T59-I61 PolarHBondContact O-N 2.78Å; T59-V63 HydrophobicContact CG2-CB 4.15Å; T59-V63 HydrophobicContact CG2-CG1 4.03Å; T59-Q64 HydrophobicContact CG2-CG 3.57Å; T59-Q64 PolarHBondContact O-NE2 2.88Å; T59-W67 HydrophobicContact CG2-CE3 4.47Å; T59-W67 HydrophobicContact CG2-CH2 3.79Å; T59-W67 HydrophobicContact CG2-CZ3 3.61Å; T59-V284 PolarHBondContact OG1-N 2.86Å
60P96.6Very high95.7Very high68 Ų6849 Ų4944%0.44227%0.267SS..  trans-57.2138.8178.6-25.234000112.8H62 V63 Q64P60-H62 VanDerWaalsContact C-N 3.28Å; P60-H62 VanDerWaalsContact CB-CE1 3.42Å; P60-H62 WeakPolarHBondContact CB-CE1 3.32Å; P60-H62 PolarHBondContact O-N 2.74Å; P60-V63 HydrophobicContact CB-CB 4.48Å; P60-V63 HydrophobicContact CB-CG2 4.09Å; P60-V63 HydrophobicContact CG-CG2 4.31Å; P60-V63 WeakPolarHBondContact O-CB 3.2Å; P60-V63 PolarHBondContact O-N 2.98Å; P60-Q64 PolarHBondContact O-N 2.84Å; P60-Q64 VanDerWaalsContact O-N 3.08Å
61I96Very high95.7Very high93 Ų9348.2 Ų48.248%0.47726%0.263SS..Hα-helixtrans-56.4-41.7-176-69.3174.6000111.8T59 V63 Q64 K65 F108T59-I61 PolarHBondContact O-N 2.78Å; I61-V63 VanDerWaalsContact C-N 3.28Å; I61-V63 PolarHBondContact O-N 3.2Å; I61-Q64 PolarHBondContact O-N 2.97Å; I61-K65 VanDerWaalsContact O-CB 3.31Å; I61-K65 WeakPolarHBondContact O-CB 3.44Å; I61-K65 PolarHBondContact O-N 2.91Å; I61-F108 HydrophobicContact CG2-CB 3.64Å; I61-F108 HydrophobicContact CG2-CD1 4.11Å; I61-F108 HydrophobicContact CG2-CD2 4.07Å; I61-F108 HydrophobicContact CG2-CG 3.68Å
62H97.4Very high95.8Very high138 Ų13848.7 Ų48.764%0.63927%0.265SS*.Hα-helixtrans-62.6-34.8179.566.6-92000112.5P60 Q66P60-H62 VanDerWaalsContact C-N 3.28Å; P60-H62 VanDerWaalsContact CB-CE1 3.42Å; P60-H62 WeakPolarHBondContact CB-CE1 3.32Å; P60-H62 PolarHBondContact O-N 2.74Å; H62-Q66 WeakPolarHBondContact O-CB 3.47Å; H62-Q66 PolarHBondContact O-N 2.89Å
63V98Very high95.9Very high40 Ų4052.5 Ų52.524%0.24229%0.289CS..Hα-helixtrans-69.1-46.5175177.40000110.5T59 P60 I61 K65 Q66 W67T59-V63 HydrophobicContact CG2-CB 4.15Å; T59-V63 HydrophobicContact CG2-CG1 4.03Å; P60-V63 HydrophobicContact CB-CB 4.48Å; P60-V63 HydrophobicContact CB-CG2 4.09Å; P60-V63 HydrophobicContact CG-CG2 4.31Å; P60-V63 WeakPolarHBondContact O-CB 3.2Å; P60-V63 PolarHBondContact O-N 2.98Å; I61-V63 VanDerWaalsContact C-N 3.28Å; I61-V63 PolarHBondContact O-N 3.2Å; V63-K65 VanDerWaalsContact C-N 3.32Å; V63-K65 PolarHBondContact O-N 2.79Å; V63-Q66 PolarHBondContact O-N 3.32Å; V63-W67 HydrophobicContact CG1-CD2 3.9Å; V63-W67 VanDerWaalsContact CG1-CE2 3.4Å; V63-W67 HydrophobicContact CG1-CE3 4.22Å; V63-W67 HydrophobicContact CG1-CH2 3.69Å; V63-W67 HydrophobicContact CG1-CZ2 3.28Å; V63-W67 HydrophobicContact CG1-CZ3 4.14Å; V63-W67 PolarHBondContact O-N 2.77Å
64Q97.4Very high96.2Very high10 Ų1053.7 Ų53.75%0.04729%0.292CS..Hα-helixtrans-60.8-43.2176.7-63.1-17663.200111.8A56 T59 P60 I61 Q66 W67 F68 F108A56-Q64 PolarHBondContact O-NE2 3.26Å; T59-Q64 HydrophobicContact CG2-CG 3.57Å; T59-Q64 PolarHBondContact O-NE2 2.88Å; P60-Q64 PolarHBondContact O-N 2.84Å; P60-Q64 VanDerWaalsContact O-N 3.08Å; I61-Q64 PolarHBondContact O-N 2.97Å; Q64-Q66 VanDerWaalsContact C-N 3.33Å; Q64-Q66 PolarHBondContact O-N 3.05Å; Q64-W67 PolarHBondContact O-N 3.05Å; Q64-F68 WeakPolarHBondContact O-CB 3.39Å; Q64-F68 PolarHBondContact O-N 2.85Å; Q64-F108 HydrophobicContact CB-CE2 4.45Å
65K98.3Very high96.6Very high59 Ų5951.2 Ų51.226%0.25728%0.28SS..Hα-helixtrans-59-44.8175-173.7175.6179.8154.30111I61 V63 F68 K69 F108 D111 I112I61-K65 VanDerWaalsContact O-CB 3.31Å; I61-K65 WeakPolarHBondContact O-CB 3.44Å; I61-K65 PolarHBondContact O-N 2.91Å; V63-K65 VanDerWaalsContact C-N 3.32Å; V63-K65 PolarHBondContact O-N 2.79Å; K65-F68 PolarHBondContact O-N 3.11Å; K65-K69 WeakPolarHBondContact O-CB 3.49Å; K65-K69 PolarHBondContact O-N 3.38Å; K65-F108 HydrophobicContact CB-CD2 3.76Å; K65-F108 HydrophobicContact CB-CE2 4.13Å; K65-F108 WeakPolarHBondContact CD-O 3.49Å; K65-F108 WeakPolarHBondContact CE-O 3.38Å; K65-F108 HydrophobicContact CG-CD2 4.11Å; K65-F108 PolarHBondContact NZ-O 2.95Å; K65-D111 VanDerWaalsContact CE-OD1 3.28Å; K65-D111 WeakPolarHBondContact CE-OD1 3.39Å; K65-D111 WeakPolarHBondContact CE-OD2 3.4Å; K65-D111 IonicContact NZ-OD1 2.72Å; K65-D111 PolarHBondContact NZ-OD1 2.63Å; K65-D111 IonicContact NZ-OD2 2.79Å; K65-D111 PolarHBondContact NZ-OD2 2.7Å; K65-I112 HydrophobicContact CD-CD1 4.46Å; K65-I112 HydrophobicContact CG-CD1 3.66Å
66Q98.7Very high97.1Very high88 Ų8850.3 Ų50.341%0.41127%0.269SS..Hα-helixtrans-63.6-46.7177.8-175.260.622.500111.5H62 V63 Q64 F68 K69 E70H62-Q66 WeakPolarHBondContact O-CB 3.47Å; H62-Q66 PolarHBondContact O-N 2.89Å; V63-Q66 PolarHBondContact O-N 3.32Å; Q64-Q66 VanDerWaalsContact C-N 3.33Å; Q64-Q66 PolarHBondContact O-N 3.05Å; Q66-F68 VanDerWaalsContact C-N 3.3Å; Q66-F68 PolarHBondContact O-N 3.12Å; Q66-K69 PolarHBondContact O-N 3.06Å; Q66-E70 PolarHBondContact NE2-OE1 3.38Å; Q66-E70 WeakPolarHBondContact O-CG 3.29Å; Q66-E70 PolarHBondContact O-N 3.3Å
67W98.8Very high97.5Very high29 Ų2952.5 Ų52.511%0.1129%0.287CS..Hα-helixtrans-62.2-39.1177.1-63.7-26.5000112.8T59 V63 Q64 T71 V284 L286 T313 T317T59-W67 HydrophobicContact CG2-CE3 4.47Å; T59-W67 HydrophobicContact CG2-CH2 3.79Å; T59-W67 HydrophobicContact CG2-CZ3 3.61Å; V63-W67 HydrophobicContact CG1-CD2 3.9Å; V63-W67 VanDerWaalsContact CG1-CE2 3.4Å; V63-W67 HydrophobicContact CG1-CE3 4.22Å; V63-W67 HydrophobicContact CG1-CH2 3.69Å; V63-W67 HydrophobicContact CG1-CZ2 3.28Å; V63-W67 HydrophobicContact CG1-CZ3 4.14Å; V63-W67 PolarHBondContact O-N 2.77Å; Q64-W67 PolarHBondContact O-N 3.05Å; W67-T71 WeakPolarHBondContact O-CB 3.41Å; W67-T71 PolarHBondContact O-N 3.48Å; W67-T71 VanDerWaalsContact O-N 3.07Å; W67-T71 PolarHBondContact O-OG1 2.99Å; W67-V284 HydrophobicContact CH2-CB 4.28Å; W67-V284 HydrophobicContact CZ3-CB 4.09Å; W67-V284 HydrophobicContact CZ3-CG2 4.05Å; W67-L286 HydrophobicContact CH2-CD2 4.39Å; W67-L286 HydrophobicContact CZ2-CD2 3.78Å; W67-T313 HydrophobicContact CB-CG2 4.14Å; W67-T317 HydrophobicContact CD2-CG2 3.64Å; W67-T317 HydrophobicContact CE3-CG2 3.7Å; W67-T317 HydrophobicContact CG-CG2 4.05Å; W67-T317 HydrophobicContact CH2-CG2 4.4Å; W67-T317 HydrophobicContact CZ2-CG2 4.36Å; W67-T317 HydrophobicContact CZ3-CG2 4.07Å
68F98.8Very high97.9Very high0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-63.8-47.2174.4179.3-112.9000111.5L51 P53 Q64 K65 Q66 E70 T71 F72 W109 I112 V113 S312L51-F68 HydrophobicContact CD1-CE2 4.46Å; L51-F68 HydrophobicContact CD2-CE2 4.49Å; L51-F68 HydrophobicContact CG-CE2 3.86Å; L51-F68 HydrophobicContact CG-CZ 4.49Å; P53-F68 HydrophobicContact CB-CB 4.33Å; P53-F68 HydrophobicContact CB-CD2 3.73Å; P53-F68 HydrophobicContact CB-CE2 4.14Å; P53-F68 HydrophobicContact CB-CG 3.96Å; P53-F68 HydrophobicContact CG-CD1 4.1Å; P53-F68 HydrophobicContact CG-CD2 3.91Å; P53-F68 HydrophobicContact CG-CE1 4.18Å; P53-F68 HydrophobicContact CG-CE2 3.96Å; P53-F68 HydrophobicContact CG-CG 3.98Å; P53-F68 HydrophobicContact CG-CZ 4.12Å; Q64-F68 WeakPolarHBondContact O-CB 3.39Å; Q64-F68 PolarHBondContact O-N 2.85Å; K65-F68 PolarHBondContact O-N 3.11Å; Q66-F68 VanDerWaalsContact C-N 3.3Å; Q66-F68 PolarHBondContact O-N 3.12Å; F68-E70 VanDerWaalsContact C-N 3.35Å; F68-E70 PolarHBondContact O-N 3.5Å; F68-T71 PolarHBondContact O-N 3.2Å; F68-F72 HydrophobicContact CZ-CD2 4.23Å; F68-F72 WeakPolarHBondContact O-CB 3.42Å; F68-F72 PolarHBondContact O-N 3.06Å; F68-W109 HydrophobicContact CD1-CB 3.75Å; F68-W109 HydrophobicContact CE1-CB 3.71Å; F68-I112 HydrophobicContact CD1-CB 4.12Å; F68-I112 HydrophobicContact CD1-CD1 3.72Å; F68-I112 HydrophobicContact CD1-CG2 3.81Å; F68-I112 HydrophobicContact CE1-CB 3.87Å; F68-I112 HydrophobicContact CE1-CD1 4.34Å; F68-I112 HydrophobicContact CE1-CG2 3.57Å; F68-V113 HydrophobicContact CE1-CG1 4.15Å; F68-V113 HydrophobicContact CZ-CG1 3.98Å; F68-S312 WeakPolarHBondContact CD2-O 3.37Å
69K98.8Very high98.1Very high106 Ų10646.6 Ų46.646%0.46124%0.242SC..Hα-helixtrans-55.9-49177.3-174.4175.9178.3176.20111.5K65 Q66 T71 F72 T73 I112K65-K69 WeakPolarHBondContact O-CB 3.49Å; K65-K69 PolarHBondContact O-N 3.38Å; Q66-K69 PolarHBondContact O-N 3.06Å; K69-T71 VanDerWaalsContact C-N 3.31Å; K69-T71 PolarHBondContact O-N 3.41Å; K69-F72 PolarHBondContact O-N 3.27Å; K69-T73 PolarHBondContact O-N 2.89Å; K69-T73 PolarHBondContact O-OG1 3.31Å; K69-T73 VanDerWaalsContact O-OG1 3.07Å; K69-I112 HydrophobicContact CB-CD1 3.75Å; K69-I112 HydrophobicContact CB-CG1 4.3Å; K69-I112 HydrophobicContact CG-CD1 4.34Å; K69-I112 HydrophobicContact CG-CG1 4.38Å
70E98.8Very high98.3Very high41 Ų4151.5 Ų51.519%0.19227%0.267CS..Hα-helixtrans-63.9-38179.9-68.7-177.1-178.600112.4Q66 F68 Y74 G316 K319Q66-E70 PolarHBondContact NE2-OE1 3.38Å; Q66-E70 WeakPolarHBondContact O-CG 3.29Å; Q66-E70 PolarHBondContact O-N 3.3Å; F68-E70 VanDerWaalsContact C-N 3.35Å; F68-E70 PolarHBondContact O-N 3.5Å; E70-Y74 WeakPolarHBondContact O-CB 3.29Å; E70-Y74 PolarHBondContact O-N 2.87Å; E70-Y74 VanDerWaalsContact O-N 3.1Å; E70-G316 WeakPolarHBondContact OE2-CA 3.45Å; E70-K319 IonicContact OE1-NZ 3.5Å; E70-K319 PolarHBondContact OE1-NZ 2.91Å; E70-K319 WeakPolarHBondContact OE2-CD 3.26Å; E70-K319 IonicContact OE2-NZ 3Å; E70-K319 PolarHBondContact OE2-NZ 2.65Å
71T98.9Very high98.3Very high0 Ų050.5 Ų50.50%026%0.262CS..Hα-helixtrans-69-42.1175.8-53.50000111.7L51 W67 F68 K69 Y74 L75 S312 T313 H314 W315 G316L51-T71 HydrophobicContact CD1-CG2 4.1Å; W67-T71 WeakPolarHBondContact O-CB 3.41Å; W67-T71 PolarHBondContact O-N 3.48Å; W67-T71 VanDerWaalsContact O-N 3.07Å; W67-T71 PolarHBondContact O-OG1 2.99Å; F68-T71 PolarHBondContact O-N 3.2Å; K69-T71 VanDerWaalsContact C-N 3.31Å; K69-T71 PolarHBondContact O-N 3.41Å; T71-Y74 PolarHBondContact O-N 3.04Å; T71-L75 HydrophobicContact CG2-CD1 3.92Å; T71-L75 HydrophobicContact CG2-CG 4.4Å; T71-L75 WeakPolarHBondContact O-CB 3.4Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 2.99Å; T71-S312 WeakPolarHBondContact CB-O 3.21Å; T71-S312 PolarHBondContact OG1-O 3.08Å; T71-T313 VanDerWaalsContact OG1-C 3.3Å; T71-T313 WeakPolarHBondContact OG1-CA 3.18Å; T71-H314 VanDerWaalsContact CG2-CE1 3.47Å; T71-H314 WeakPolarHBondContact CG2-CE1 3.27Å; T71-H314 WeakPolarHBondContact CG2-ND1 3.49Å; T71-W315 HydrophobicContact CG2-CB 4.17Å; T71-W315 PolarHBondContact OG1-N 3.35Å; T71-G316 PolarHBondContact OG1-N 2.93Å
72F98.9Very high98.4Very high10 Ų1051.3 Ų51.34%0.04428%0.283CS..Hα-helixtrans-61.2-51.3175.6-170.9-79.7000111.3L51 F68 K69 Y74 L75 F76 I112 V113 L114 L139L51-F72 HydrophobicContact CD2-CB 4.15Å; L51-F72 HydrophobicContact CD2-CD2 3.55Å; L51-F72 HydrophobicContact CD2-CE2 4.28Å; L51-F72 HydrophobicContact CD2-CG 4.19Å; F68-F72 HydrophobicContact CZ-CD2 4.23Å; F68-F72 WeakPolarHBondContact O-CB 3.42Å; F68-F72 PolarHBondContact O-N 3.06Å; K69-F72 PolarHBondContact O-N 3.27Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 3.04Å; F72-L75 PolarHBondContact O-N 2.85Å; F72-F76 HydrophobicContact CD1-CB 4.3Å; F72-F76 HydrophobicContact CE1-CB 4.09Å; F72-F76 HydrophobicContact CE1-CD2 4.32Å; F72-F76 HydrophobicContact CE1-CG 4.21Å; F72-F76 WeakPolarHBondContact O-CB 3.18Å; F72-F76 PolarHBondContact O-N 2.83Å; F72-I112 HydrophobicContact CB-CG2 3.7Å; F72-I112 HydrophobicContact CD1-CG2 4.13Å; F72-I112 HydrophobicContact CD2-CG2 4.17Å; F72-I112 WeakPolarHBondContact CE1-O 3.46Å; F72-I112 HydrophobicContact CG-CG2 3.73Å; F72-V113 HydrophobicContact CE2-CG1 4.28Å; F72-L114 HydrophobicContact CE1-CD2 4.26Å; F72-L114 HydrophobicContact CZ-CD2 4.16Å; F72-L114 HydrophobicContact CZ-CG 3.96Å; F72-L139 HydrophobicContact CE2-CG 4.43Å
73T98.8Very high98.4Very high87 Ų8748.6 Ų48.653%0.53427%0.27SS..Hα-helixtrans-57.5-44.2178.7-610000111.7K69 A77K69-T73 PolarHBondContact O-N 2.89Å; K69-T73 PolarHBondContact O-OG1 3.31Å; K69-T73 VanDerWaalsContact O-OG1 3.07Å; T73-A77 PolarHBondContact O-N 3.42Å
74Y98.8Very high98.4Very high35 Ų3547.5 Ų47.514%0.13727%0.265CS..Hα-helixtrans-63.8-50.9179174.3-103000112.6E70 T71 F72 F76 A77 I78 Y146 W149 W315E70-Y74 WeakPolarHBondContact O-CB 3.29Å; E70-Y74 PolarHBondContact O-N 2.87Å; E70-Y74 VanDerWaalsContact O-N 3.1Å; T71-Y74 PolarHBondContact O-N 3.04Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 3.04Å; Y74-F76 VanDerWaalsContact C-N 3.31Å; Y74-F76 PolarHBondContact O-N 2.82Å; Y74-A77 WeakPolarHBondContact O-CB 3.39Å; Y74-A77 PolarHBondContact O-N 2.81Å; Y74-I78 HydrophobicContact CD1-CD1 4Å; Y74-I78 HydrophobicContact CE1-CD1 3.4Å; Y74-I78 HydrophobicContact CE2-CD1 4.25Å; Y74-I78 PolarHBondContact O-N 2.99Å; Y74-Y146 WeakPolarHBondContact CE1-OH 3.45Å; Y74-W149 WeakPolarHBondContact OH-CH2 3.49Å; Y74-W149 WeakPolarHBondContact OH-CZ3 3.42Å; Y74-W315 HydrophobicContact CD1-CB 4.23Å; Y74-W315 AromaticContact CD1-CD2 3.51Å; Y74-W315 HydrophobicContact CD1-CD2 3.51Å; Y74-W315 AromaticContact CD1-CE2 3.99Å; Y74-W315 AromaticContact CD1-CE3 3.68Å; Y74-W315 HydrophobicContact CD1-CE3 3.68Å; Y74-W315 AromaticContact CD1-CG 3.74Å; Y74-W315 HydrophobicContact CD1-CG 3.74Å; Y74-W315 HydrophobicContact CD1-CZ3 4.32Å; Y74-W315 AromaticContact CD2-CD2 3.79Å; Y74-W315 HydrophobicContact CD2-CD2 3.79Å; Y74-W315 AromaticContact CD2-CE2 3.32Å; Y74-W315 HydrophobicContact CD2-CE3 4.36Å; Y74-W315 HydrophobicContact CD2-CG 4.24Å; Y74-W315 HydrophobicContact CD2-CH2 4.19Å; Y74-W315 AromaticContact CD2-CZ2 3.57Å; Y74-W315 HydrophobicContact CD2-CZ2 3.57Å; Y74-W315 AromaticContact CD2-NE1 3.48Å; Y74-W315 AromaticContact CE1-CD2 3.67Å; Y74-W315 HydrophobicContact CE1-CD2 3.67Å; Y74-W315 AromaticContact CE1-CE3 3.36Å; Y74-W315 HydrophobicContact CE1-CE3 3.36Å; Y74-W315 HydrophobicContact CE1-CG 4.37Å; Y74-W315 HydrophobicContact CE1-CH2 4.09Å; Y74-W315 HydrophobicContact CE1-CZ2 4.33Å; Y74-W315 AromaticContact CE1-CZ3 3.6Å; Y74-W315 HydrophobicContact CE1-CZ3 3.6Å; Y74-W315 AromaticContact CE2-CD2 3.94Å; Y74-W315 HydrophobicContact CE2-CD2 3.94Å; Y74-W315 AromaticContact CE2-CE2 3.47Å; Y74-W315 VanDerWaalsContact CE2-CE2 3.47Å; Y74-W315 HydrophobicContact CE2-CE3 4.08Å; Y74-W315 AromaticContact CE2-CH2 3.44Å; Y74-W315 HydrophobicContact CE2-CH2 3.44Å; Y74-W315 VanDerWaalsContact CE2-CH2 3.44Å; Y74-W315 AromaticContact CE2-CZ2 3.22Å; Y74-W315 HydrophobicContact CE2-CZ2 3.22Å; Y74-W315 AromaticContact CE2-CZ3 3.86Å; Y74-W315 HydrophobicContact CE2-CZ3 3.86Å; Y74-W315 HydrophobicContact CG-CB 4.46Å; Y74-W315 AromaticContact CG-CD1 3.67Å; Y74-W315 AromaticContact CG-CD2 3.55Å; Y74-W315 HydrophobicContact CG-CD2 3.55Å; Y74-W315 AromaticContact CG-CE2 3.58Å; Y74-W315 HydrophobicContact CG-CE3 4.16Å; Y74-W315 AromaticContact CG-CG 3.65Å; Y74-W315 HydrophobicContact CG-CG 3.65Å; Y74-W315 HydrophobicContact CG-CZ2 4.24Å; Y74-W315 AromaticContact CG-NE1 3.61Å; Y74-W315 AromaticContact CZ-CD2 3.86Å; Y74-W315 AromaticContact CZ-CE2 3.86Å; Y74-W315 AromaticContact CZ-CE3 3.56Å; Y74-W315 AromaticContact CZ-CH2 3.35Å; Y74-W315 AromaticContact CZ-CZ2 3.64Å; Y74-W315 AromaticContact CZ-CZ3 3.3Å; Y74-W315 WeakPolarHBondContact OH-CH2 3.48Å; Y74-W315 VanDerWaalsContact OH-CZ3 3.28Å; Y74-W315 WeakPolarHBondContact OH-CZ3 3.47Å
75L98.8Very high98.3Very high0 Ų051.7 Ų51.70%030%0.296CS..Hα-helixtrans-68.1-31.9179.7-68.4175.3000112.3L51 T71 F72 A77 I78 S79 I89 L139 Y146 F311L51-L75 HydrophobicContact CD1-CD1 3.64Å; L51-L75 HydrophobicContact CD2-CD1 3.91Å; L51-L75 HydrophobicContact CG-CD1 4.4Å; T71-L75 HydrophobicContact CG2-CD1 3.92Å; T71-L75 HydrophobicContact CG2-CG 4.4Å; T71-L75 WeakPolarHBondContact O-CB 3.4Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 2.99Å; F72-L75 PolarHBondContact O-N 2.85Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-I78 HydrophobicContact CD2-CD1 4.32Å; L75-I78 PolarHBondContact O-N 3.24Å; L75-S79 PolarHBondContact O-N 2.89Å; L75-I89 HydrophobicContact CB-CG2 4.33Å; L75-I89 HydrophobicContact CD2-CD1 3.94Å; L75-I89 HydrophobicContact CD2-CG1 4.17Å; L75-L139 VanDerWaalsContact C-CD1 3.46Å; L75-L139 HydrophobicContact CB-CD1 3.53Å; L75-Y146 HydrophobicContact CD2-CE2 4.12Å; L75-F311 HydrophobicContact CD1-CE1 4.1Å; L75-F311 HydrophobicContact CD1-CE2 4.03Å; L75-F311 HydrophobicContact CD1-CZ 3.44Å; L75-F311 VanDerWaalsContact CD1-CZ 3.44Å
76F98.7Very high98.3Very high72 Ų7253.1 Ų53.132%0.31630%0.304SS..Hα-helixtrans-66.9-38.1175.8-171.7-111.2000111F72 Y74 I78 S79 N80 L114 L139F72-F76 HydrophobicContact CD1-CB 4.3Å; F72-F76 HydrophobicContact CE1-CB 4.09Å; F72-F76 HydrophobicContact CE1-CD2 4.32Å; F72-F76 HydrophobicContact CE1-CG 4.21Å; F72-F76 WeakPolarHBondContact O-CB 3.18Å; F72-F76 PolarHBondContact O-N 2.83Å; Y74-F76 VanDerWaalsContact C-N 3.31Å; Y74-F76 PolarHBondContact O-N 2.82Å; F76-I78 VanDerWaalsContact C-N 3.32Å; F76-I78 PolarHBondContact O-N 2.82Å; F76-S79 WeakPolarHBondContact CA-OG 3.42Å; F76-S79 PolarHBondContact O-N 2.88Å; F76-S79 PolarHBondContact O-OG 2.97Å; F76-N80 WeakPolarHBondContact CE1-ND2 3.28Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.28Å; F76-N80 VanDerWaalsContact CZ-ND2 3.35Å; F76-N80 WeakPolarHBondContact CZ-ND2 3.34Å; F76-N80 PolarHBondContact O-N 2.8Å; F76-N80 PolarHBondContact O-ND2 2.82Å; F76-L114 HydrophobicContact CD2-CD1 4.35Å; F76-L114 HydrophobicContact CE2-CD1 3.67Å; F76-L114 HydrophobicContact CZ-CD1 4.26Å; F76-L139 HydrophobicContact CB-CD1 3.98Å; F76-L139 HydrophobicContact CD2-CD2 4.31Å; F76-L139 VanDerWaalsContact N-CD1 3.29Å
77A98.7Very high98.2Very high63 Ų6348.9 Ų48.952%0.52128%0.284SS..Hα-helixtrans-61.6-41.7171.900000111.5T73 Y74 L75 N80 S81T73-A77 PolarHBondContact O-N 3.42Å; Y74-A77 WeakPolarHBondContact O-CB 3.39Å; Y74-A77 PolarHBondContact O-N 2.81Å; L75-A77 VanDerWaalsContact C-N 3.34Å; A77-N80 PolarHBondContact O-N 3.27Å; A77-S81 PolarHBondContact O-N 3.16Å
78I98.5Very high98.1Very high11 Ų1147.6 Ų47.66%0.05628%0.279CS..Hα-helixtrans-63.3-44.4175.1-65.2169.6000111.1Y74 L75 F76 N80 S81 A84 A87 I89 Y146 W149Y74-I78 HydrophobicContact CD1-CD1 4Å; Y74-I78 HydrophobicContact CE1-CD1 3.4Å; Y74-I78 HydrophobicContact CE2-CD1 4.25Å; Y74-I78 PolarHBondContact O-N 2.99Å; L75-I78 HydrophobicContact CD2-CD1 4.32Å; L75-I78 PolarHBondContact O-N 3.24Å; F76-I78 VanDerWaalsContact C-N 3.32Å; F76-I78 PolarHBondContact O-N 2.82Å; I78-N80 PolarHBondContact O-N 2.91Å; I78-N80 VanDerWaalsContact O-N 3.13Å; I78-S81 PolarHBondContact O-N 3.16Å; I78-S81 PolarHBondContact O-OG 2.91Å; I78-S81 VanDerWaalsContact O-OG 3.05Å; I78-A84 WeakPolarHBondContact O-CB 3.4Å; I78-A87 HydrophobicContact CG2-CB 3.64Å; I78-I89 HydrophobicContact CG2-CB 4.15Å; I78-I89 HydrophobicContact CG2-CG1 3.97Å; I78-Y146 HydrophobicContact CD1-CE2 4.33Å; I78-W149 HydrophobicContact CD1-CH2 3.6Å; I78-W149 HydrophobicContact CD1-CZ2 4.21Å; I78-W149 HydrophobicContact CD1-CZ3 4.01Å; I78-W149 HydrophobicContact CG1-CH2 4.23Å; I78-W149 HydrophobicContact CG1-CZ2 4.46Å
79S98.1Very high98.1Very high18 Ų1847.7 Ų47.713%0.12628%0.28CS..Hα-helixtrans-64.3-19.1-178.770.90000113.8L75 F76L75-S79 PolarHBondContact O-N 2.89Å; F76-S79 WeakPolarHBondContact CA-OG 3.42Å; F76-S79 PolarHBondContact O-N 2.88Å; F76-S79 PolarHBondContact O-OG 2.97Å
80N97.9Very high98Very high113 Ų11344.5 Ų44.560%0.60427%0.266SS*.THydrogen-bonded Turntrans-101.58.8177.1-69.8-79.3000112.8F76 A77 I78F76-N80 WeakPolarHBondContact CE1-ND2 3.28Å; F76-N80 WeakPolarHBondContact CE2-ND2 3.28Å; F76-N80 VanDerWaalsContact CZ-ND2 3.35Å; F76-N80 WeakPolarHBondContact CZ-ND2 3.34Å; F76-N80 PolarHBondContact O-N 2.8Å; F76-N80 PolarHBondContact O-ND2 2.82Å; A77-N80 PolarHBondContact O-N 3.27Å; I78-N80 PolarHBondContact O-N 2.91Å; I78-N80 VanDerWaalsContact O-N 3.13Å
81S98.3Very high98Very high48 Ų4846 Ų4634%0.33628%0.28SS..SBendtrans-105.3168.2179.187.90000111.9A77 I78 E83 A84A77-S81 PolarHBondContact O-N 3.16Å; I78-S81 PolarHBondContact O-N 3.16Å; I78-S81 PolarHBondContact O-OG 2.91Å; I78-S81 VanDerWaalsContact O-OG 3.05Å; S81-E83 PolarHBondContact O-N 2.87Å; S81-E83 PolarHBondContact OG-N 3.33Å; S81-E83 VanDerWaalsContact OG-N 3.07Å; S81-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 PolarHBondContact O-N 2.86Å
82A97.9Very high98Very high110 Ų11046.4 Ų46.491%0.90928%0.282SS*.THydrogen-bonded Turntrans-63.2-18.4172.600000113.1
83E97.6Very high98Very high80 Ų8048.3 Ų48.337%0.37430%0.297SS..THydrogen-bonded Turntrans-87-5-179.1-59179.3-172.600112.8S81 S85 E86 A87 W149 R153S81-E83 PolarHBondContact O-N 2.87Å; S81-E83 PolarHBondContact OG-N 3.33Å; S81-E83 VanDerWaalsContact OG-N 3.07Å; E83-S85 VanDerWaalsContact C-N 3.28Å; E83-S85 PolarHBondContact O-N 2.79Å; E83-E86 PolarHBondContact O-N 2.83Å; E83-A87 WeakPolarHBondContact O-CB 3.39Å; E83-A87 PolarHBondContact O-N 2.85Å; E83-W149 WeakPolarHBondContact OE2-CZ2 3.25Å; E83-W149 PolarHBondContact OE2-NE1 3.27Å; E83-R153 IonicContact OE2-NH1 2.85Å
84A97.3Very high98Very high17 Ų1744.3 Ų44.314%0.1427%0.273CS..THydrogen-bonded Turntrans-51.2-45.8-175.500000113.1I78 S81 G88 I89I78-A84 WeakPolarHBondContact O-CB 3.4Å; S81-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 PolarHBondContact O-N 2.86Å; A84-G88 PolarHBondContact O-N 3.19Å; A84-I89 PolarHBondContact O-N 3.38Å
85S95.8Very high98Very high99 Ų9943.9 Ų43.969%0.69227%0.271SS*.THydrogen-bonded Turntrans-67.9-40.4179.4-175.20000112.4E83 G88E83-S85 VanDerWaalsContact C-N 3.28Å; E83-S85 PolarHBondContact O-N 2.79Å; S85-G88 PolarHBondContact O-N 3.44Å
86E96.8Very high97.9Very high88 Ų8844.6 Ų44.641%0.41127%0.274SS..THydrogen-bonded Turntrans-67.2-42.9177.9-175.6-179-171.900110.7E83 G88 K152E83-E86 PolarHBondContact O-N 2.83Å; E86-G88 PolarHBondContact O-N 2.98Å; E86-K152 VanDerWaalsContact CD-NZ 3.28Å; E86-K152 VanDerWaalsContact OE1-CD 3.26Å; E86-K152 WeakPolarHBondContact OE1-CD 3.23Å; E86-K152 IonicContact OE1-NZ 3.88Å; E86-K152 PolarHBondContact OE1-NZ 3.39Å; E86-K152 IonicContact OE2-NZ 2.63Å; E86-K152 PolarHBondContact OE2-NZ 3.35Å; E86-K152 VanDerWaalsContact OE2-NZ 3.12Å
87A97.6Very high97.9Very high0 Ų041.1 Ų41.10%026%0.259CS..THydrogen-bonded Turntrans-72.8-9.8177.500000113.2I78 E83 I89 Y146 W149I78-A87 HydrophobicContact CG2-CB 3.64Å; E83-A87 WeakPolarHBondContact O-CB 3.39Å; E83-A87 PolarHBondContact O-N 2.85Å; A87-I89 VanDerWaalsContact C-N 3.27Å; A87-I89 HydrophobicContact CB-CG1 4.01Å; A87-I89 PolarHBondContact O-N 3.25Å; A87-Y146 HydrophobicContact CB-CD2 4.29Å; A87-Y146 VanDerWaalsContact O-CA 3.28Å; A87-Y146 WeakPolarHBondContact O-CA 3.46Å; A87-Y146 VanDerWaalsContact O-CB 3.25Å; A87-Y146 WeakPolarHBondContact O-CB 3.38Å; A87-Y146 PolarHBondContact O-N 3.19Å; A87-W149 HydrophobicContact CB-CB 4.31Å; A87-W149 HydrophobicContact CB-CD2 3.98Å; A87-W149 HydrophobicContact CB-CG 3.81Å
88G97.1Very high97.9Very high1 Ų139.5 Ų39.51%0.0124%0.24CC..THydrogen-bonded Turntrans6428.5-177.600000113.9A84 S85 E86 C141 D142A84-G88 PolarHBondContact O-N 3.19Å; S85-G88 PolarHBondContact O-N 3.44Å; E86-G88 PolarHBondContact O-N 2.98Å; G88-C141 CarbonylContact O-C 3.57Å; G88-C141 WeakPolarHBondContact O-CA 3.33Å; G88-D142 PolarHBondContact O-N 3Å
89I98.1Very high97.7Very high2 Ų245.2 Ų45.21%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-106.5124.9-178.9-51.5-57.4000109.7L75 I78 A84 A87 K140 C141 Y146L75-I89 HydrophobicContact CB-CG2 4.33Å; L75-I89 HydrophobicContact CD2-CD1 3.94Å; L75-I89 HydrophobicContact CD2-CG1 4.17Å; I78-I89 HydrophobicContact CG2-CB 4.15Å; I78-I89 HydrophobicContact CG2-CG1 3.97Å; A84-I89 PolarHBondContact O-N 3.38Å; A87-I89 VanDerWaalsContact C-N 3.27Å; A87-I89 HydrophobicContact CB-CG1 4.01Å; A87-I89 PolarHBondContact O-N 3.25Å; I89-K140 WeakPolarHBondContact CA-O 3.5Å; I89-C141 HydrophobicContact CD1-CB 3.48Å; I89-C141 VanDerWaalsContact CD1-CB 3.48Å; I89-Y146 HydrophobicContact CD1-CD2 3.84Å; I89-Y146 HydrophobicContact CD1-CE2 4.33Å; I89-Y146 HydrophobicContact CD1-CG 4.07Å; I89-Y146 HydrophobicContact CG1-CD2 4.14Å; I89-Y146 HydrophobicContact CG1-CE2 4.48Å
90H97.7Very high97.6Very high39 Ų3948.3 Ų48.318%0.18129%0.287CS..EExtended strand (participates in β ladder)trans-144.4151.5178.16694000112.1L139 K140 I228H90-L139 WeakPolarHBondContact O-CA 3.47Å; H90-K140 PolarHBondContact N-O 3.12Å; H90-K140 PolarHBondContact O-N 3.29Å; H90-I228 WeakPolarHBondContact CD2-CG1 3.41Å
91P98.2Very high97.4Very high73 Ų7346.5 Ų46.547%0.47428%0.28SS..EExtended strand (participates in β ladder)trans-66.4149.2169.229.2-34.1000111T137 T138 L139P91-T137 HydrophobicContact CB-CG2 4.24Å; P91-T138 CarbonylContact C-O 3.58Å; P91-T138 WeakPolarHBondContact CA-O 3.36Å; P91-L139 HydrophobicContact CB-CD2 4.35Å
92V98.6Very high97.2Very high8 Ų845.7 Ų45.75%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-146.8130174660000109.8M50 T137 T138 K140 F214 P226M50-V92 HydrophobicContact CE-CG1 3.74Å; M50-V92 HydrophobicContact SD-CG1 3.77Å; V92-T137 WeakPolarHBondContact O-CA 3.19Å; V92-T138 HydrophobicContact CG1-CG2 4.16Å; V92-T138 PolarHBondContact N-O 2.8Å; V92-T138 PolarHBondContact O-N 3.41Å; V92-K140 HydrophobicContact CB-CB 4.48Å; V92-K140 HydrophobicContact CG1-CB 3.82Å; V92-F214 HydrophobicContact CG1-CD1 4.14Å; V92-F214 HydrophobicContact CG2-CB 4.47Å; V92-F214 HydrophobicContact CG2-CD1 4.22Å; V92-P226 HydrophobicContact CG2-CG 3.82Å
93S98.8Very high96.8Very high50 Ų5050.9 Ų50.935%0.3528%0.275SS..EExtended strand (participates in β ladder)trans-96.9157.7175.4-53.30000110.3T137 N213 F214S93-T137 WeakPolarHBondContact CB-OG1 3.44Å; S93-T137 PolarHBondContact OG-OG1 3.28Å; S93-N213 CarbonylContact O-C 3.53Å; S93-N213 WeakPolarHBondContact O-CA 3.4Å; S93-F214 VanDerWaalsContact C-CE1 3.46Å; S93-F214 VanDerWaalsContact O-CD1 3.27Å; S93-F214 WeakPolarHBondContact O-CD1 3.32Å; S93-F214 PolarHBondContact O-N 3.45Å
94G98.6Very high96.3Very high3 Ų353.8 Ų53.83%0.03129%0.289CS..EExtended strand (participates in β ladder)trans166.5-161.6177.200000113.1A135 F136 F214G94-A135 WeakPolarHBondContact O-CA 3.47Å; G94-F136 PolarHBondContact N-O 3.24Å; G94-F136 VanDerWaalsContact N-O 3.09Å; G94-F136 PolarHBondContact O-N 2.95Å; G94-F214 CarbonylContact C-O 3.59Å; G94-F214 VanDerWaalsContact CA-CD1 3.49Å; G94-F214 VanDerWaalsContact CA-CE1 3.42Å; G94-F214 WeakPolarHBondContact CA-O 3.39Å
95W98.5Very high96Very high27 Ų2757.5 Ų57.510%0.10230%0.303CS..EExtended strand (participates in β ladder)trans-129.7137.5-168-54-77.1000112.2I97 M119 E123 F127 Q134 N213 F214 V215 R216W95-I97 HydrophobicContact CB-CG2 4.1Å; W95-M119 HydrophobicContact CB-CE 4.28Å; W95-M119 HydrophobicContact CB-SD 3.78Å; W95-M119 HydrophobicContact CG-CE 3.88Å; W95-M119 HydrophobicContact CG-CG 4.49Å; W95-M119 HydrophobicContact CG-SD 3.82Å; W95-E123 PolarHBondContact NE1-OE1 2.86Å; W95-F127 HydrophobicContact CB-CE2 4.42Å; W95-F127 HydrophobicContact CD2-CE2 4.33Å; W95-F127 HydrophobicContact CD2-CZ 4.5Å; W95-F127 HydrophobicContact CE3-CE2 4.32Å; W95-F127 HydrophobicContact CE3-CZ 4.06Å; W95-F127 HydrophobicContact CG-CE2 4.38Å; W95-Q134 CarbonylContact C-O 3.55Å; W95-Q134 VanDerWaalsContact CA-O 3.27Å; W95-Q134 WeakPolarHBondContact CA-O 3.33Å; W95-N213 HydrophobicContact CE3-CB 4.11Å; W95-N213 HydrophobicContact CH2-CB 3.86Å; W95-N213 HydrophobicContact CZ3-CB 3.41Å; W95-N213 VanDerWaalsContact CZ3-CB 3.41Å; W95-F214 PolarHBondContact N-O 2.92Å; W95-F214 WeakPolarHBondContact O-CE2 3.1Å; W95-V215 HydrophobicContact CE3-CG2 4.21Å; W95-V215 CarbonylContact O-C 3.57Å; W95-V215 WeakPolarHBondContact O-CA 3.44Å; W95-R216 PolarHBondContact O-N 3.26Å
96Q98.1Very high96Very high14 Ų1458.5 Ų58.57%0.06530%0.3CS..EExtended strand (participates in β ladder)trans-105.2118.1161.5-175.1173.4-23.800108.6F98 G133 Q134 F136 R216Q96-F98 HydrophobicContact CB-CE2 4.35Å; Q96-F98 HydrophobicContact CG-CE2 3.77Å; Q96-F98 HydrophobicContact CG-CZ 3.72Å; Q96-F98 WeakPolarHBondContact O-CE2 3.48Å; Q96-G133 CarbonylContact O-C 3.43Å; Q96-G133 VanDerWaalsContact O-CA 3.26Å; Q96-G133 WeakPolarHBondContact O-CA 3.32Å; Q96-Q134 HydrophobicContact CB-CB 4.47Å; Q96-Q134 PolarHBondContact N-O 2.98Å; Q96-Q134 PolarHBondContact O-N 3.19Å; Q96-F136 HydrophobicContact CB-CE1 4.04Å; Q96-R216 CarbonylContact C-O 3.52Å; Q96-R216 VanDerWaalsContact CA-O 3.29Å; Q96-R216 WeakPolarHBondContact CA-O 3.25Å; Q96-R216 HydrophobicContact CG-CB 4.46Å
97I98.1Very high95.9Very high0 Ų055.1 Ų55.10%029%0.286CS..EExtended strand (participates in β ladder)trans-113148.1-169.660178000111W95 M119 F127 H130 V215 R216 D217 G218 L261W95-I97 HydrophobicContact CB-CG2 4.1Å; I97-M119 HydrophobicContact CG2-CE 4.5Å; I97-M119 HydrophobicContact CG2-SD 3.97Å; I97-F127 HydrophobicContact CD1-CB 4.31Å; I97-F127 HydrophobicContact CD1-CD1 3.62Å; I97-F127 HydrophobicContact CD1-CE1 4.07Å; I97-F127 HydrophobicContact CD1-CG 3.95Å; I97-F127 HydrophobicContact CG2-CD2 3.77Å; I97-F127 HydrophobicContact CG2-CE2 3.96Å; I97-F127 HydrophobicContact CG2-CG 4.04Å; I97-F127 HydrophobicContact CG2-CZ 4.42Å; I97-H130 HydrophobicContact CB-CB 4.3Å; I97-H130 WeakPolarHBondContact CD1-NE2 3.45Å; I97-V215 HydrophobicContact CD1-CG1 3.74Å; I97-V215 HydrophobicContact CG1-CG1 4.3Å; I97-R216 PolarHBondContact N-O 2.95Å; I97-D217 CarbonylContact O-C 3.54Å; I97-G218 PolarHBondContact O-N 2.69Å; I97-L261 HydrophobicContact CD1-CD1 4.33Å; I97-L261 HydrophobicContact CD1-CD2 3.85Å
98F97.8Very high95.8Very high28 Ų2856.8 Ų56.812%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-136.4136.6-175.3-55.2-102.1000111.3Q96 S100 P102 H130 R131 F132 Q134Q96-F98 HydrophobicContact CB-CE2 4.35Å; Q96-F98 HydrophobicContact CG-CE2 3.77Å; Q96-F98 HydrophobicContact CG-CZ 3.72Å; Q96-F98 WeakPolarHBondContact O-CE2 3.48Å; F98-S100 WeakPolarHBondContact CB-O 3.42Å; F98-S100 PolarHBondContact O-N 3.04Å; F98-P102 HydrophobicContact CD1-CB 4.29Å; F98-P102 HydrophobicContact CD1-CG 4.28Å; F98-P102 HydrophobicContact CE1-CB 4.25Å; F98-P102 HydrophobicContact CE1-CG 4.24Å; F98-P102 HydrophobicContact CG-CG 4.45Å; F98-P102 HydrophobicContact CZ-CG 4.36Å; F98-H130 WeakPolarHBondContact O-CA 3.45Å; F98-H130 WeakPolarHBondContact O-CB 3.25Å; F98-R131 PolarHBondContact O-N 3.42Å; F98-F132 HydrophobicContact CB-CB 4.42Å; F98-F132 AromaticContact CD2-CD1 3.74Å; F98-F132 HydrophobicContact CD2-CD1 3.74Å; F98-F132 HydrophobicContact CD2-CE1 4.43Å; F98-F132 HydrophobicContact CE2-CD1 4.2Å; F98-F132 HydrophobicContact CE2-CE1 4.46Å; F98-F132 HydrophobicContact CG-CD1 4.41Å; F98-F132 PolarHBondContact N-O 3.23Å; F98-F132 PolarHBondContact O-N 3.47Å; F98-Q134 HydrophobicContact CE2-CG 4.15Å
99K96.1Very high95.7Very high131 Ų13157.4 Ų57.457%0.5730%0.295SS*.SBendtrans-63.6-29.1175.6-67.4-177.1179.5175.50112.9R131K99-R131 WeakPolarHBondContact O-CB 3.43Å; K99-R131 VanDerWaalsContact O-CG 3.27Å; K99-R131 WeakPolarHBondContact O-CG 3.45Å
100S95.3Very high95.7Very high84 Ų8458.3 Ų58.359%0.58730%0.302SS*.SBendtrans-138.7156.217559.60000109.6F98F98-S100 WeakPolarHBondContact CB-O 3.42Å; F98-S100 PolarHBondContact O-N 3.04Å
101T94.3Very high95.7Very high75 Ų7561.6 Ų61.646%0.4632%0.321SS..  trans-57.3124.3174.1-50.60000110.3E105 F132T101-E105 HydrophobicContact CG2-CG 3.95Å; T101-E105 WeakPolarHBondContact CG2-OE1 3.34Å; T101-F132 HydrophobicContact CG2-CD2 4.07Å; T101-F132 HydrophobicContact CG2-CE2 4.42Å; T101-F132 HydrophobicContact CG2-CG 4.31Å
102P92.6Very high95.7Very high30 Ų3059 Ų5920%0.19530%0.303CS..  trans-69.1155.4177.529.6-34.3000110.7F98 E104 F132F98-P102 HydrophobicContact CD1-CB 4.29Å; F98-P102 HydrophobicContact CD1-CG 4.28Å; F98-P102 HydrophobicContact CE1-CB 4.25Å; F98-P102 HydrophobicContact CE1-CG 4.24Å; F98-P102 HydrophobicContact CG-CG 4.45Å; F98-P102 HydrophobicContact CZ-CG 4.36Å; P102-E104 PolarHBondContact O-N 3.48Å; P102-F132 HydrophobicContact CG-CD1 3.98Å; P102-F132 HydrophobicContact CG-CE1 3.96Å
103K89.6Confident95.7Very high220 Ų22059.1 Ų59.196%0.95730%0.303SS*.SBendtrans-59.9-37.6175.8-67.4-172-177.7-174.70112.5
104E87.9Confident95.7Very high141 Ų14159.8 Ų59.866%0.65930%0.302SS*.  trans-110.9100.7175.6-69176-168.800108.1P102 L106P102-E104 PolarHBondContact O-N 3.48Å; E104-L106 VanDerWaalsContact C-N 3.33Å
105E91.3Very high95.7Very high95 Ų9562.7 Ų62.744%0.44433%0.333SS..SBendtrans-72.8-29.3176.6-67.6-175.4-155.200112.5T101 P107 F132 Q134T101-E105 HydrophobicContact CG2-CG 3.95Å; T101-E105 WeakPolarHBondContact CG2-OE1 3.34Å; E105-P107 WeakPolarHBondContact O-CD 3.42Å; E105-F132 HydrophobicContact CB-CZ 3.91Å; E105-F132 HydrophobicContact CG-CE1 4.39Å; E105-F132 HydrophobicContact CG-CE2 4.11Å; E105-F132 HydrophobicContact CG-CZ 3.78Å; E105-Q134 PolarHBondContact O-NE2 3.02Å
106L94.2Very high95.7Very high119 Ų11963.2 Ų63.262%0.62334%0.336SS*.SBendtrans-105.198.7175.2-66.6178.7000109.2E104 F116E104-L106 VanDerWaalsContact C-N 3.33Å; L106-F116 HydrophobicContact CD2-CD1 4.24Å; L106-F116 HydrophobicContact CD2-CE1 3.78Å
107P94.8Very high95.7Very high17 Ų1767.6 Ų67.611%0.1135%0.352CS..  trans-68.1153.6176.230-35.2000110.5E105 W109 S110 F116E105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-W109 HydrophobicContact CB-CD2 4.14Å; P107-W109 HydrophobicContact CB-CG 4.36Å; P107-W109 HydrophobicContact CB-CZ2 3.88Å; P107-W109 HydrophobicContact CG-CD2 3.94Å; P107-W109 HydrophobicContact CG-CE3 4.26Å; P107-W109 HydrophobicContact CG-CH2 3.89Å; P107-W109 HydrophobicContact CG-CZ2 3.53Å; P107-W109 HydrophobicContact CG-CZ3 4.23Å; P107-W109 PolarHBondContact O-N 3.15Å; P107-S110 WeakPolarHBondContact O-CB 3.48Å; P107-S110 PolarHBondContact O-N 3.4Å; P107-S110 PolarHBondContact O-OG 3.23Å; P107-S110 VanDerWaalsContact O-OG 3.1Å; P107-F116 VanDerWaalsContact CD-CZ 3.44Å; P107-F116 HydrophobicContact CG-CE2 3.89Å; P107-F116 HydrophobicContact CG-CZ 3.87Å
108F95.9Very high95.7Very high35 Ų3571 Ų7115%0.15437%0.374CS..THydrogen-bonded Turntrans-55.3-14.7-174.370-95000116.1P53 I61 Q64 K65P53-F108 HydrophobicContact CB-CZ 4.15Å; P53-F108 HydrophobicContact CG-CE2 4.39Å; P53-F108 HydrophobicContact CG-CZ 4.11Å; I61-F108 HydrophobicContact CG2-CB 3.64Å; I61-F108 HydrophobicContact CG2-CD1 4.11Å; I61-F108 HydrophobicContact CG2-CD2 4.07Å; I61-F108 HydrophobicContact CG2-CG 3.68Å; Q64-F108 HydrophobicContact CB-CE2 4.45Å; K65-F108 HydrophobicContact CB-CD2 3.76Å; K65-F108 HydrophobicContact CB-CE2 4.13Å; K65-F108 WeakPolarHBondContact CD-O 3.49Å; K65-F108 WeakPolarHBondContact CE-O 3.38Å; K65-F108 HydrophobicContact CG-CD2 4.11Å; K65-F108 PolarHBondContact NZ-O 2.95Å
109W96.6Very high95.7Very high14 Ų1470.4 Ų70.45%0.05337%0.372CS..THydrogen-bonded Turntrans-107.30.9-176.851-96.2000114.1I52 P53 F68 P107 D111 I112 V113 F116 F136I52-W109 HydrophobicContact CG2-CZ2 4.29Å; P53-W109 HydrophobicContact CG-CB 3.72Å; P53-W109 HydrophobicContact CG-CD2 3.92Å; P53-W109 HydrophobicContact CG-CG 3.32Å; F68-W109 HydrophobicContact CD1-CB 3.75Å; F68-W109 HydrophobicContact CE1-CB 3.71Å; P107-W109 HydrophobicContact CB-CD2 4.14Å; P107-W109 HydrophobicContact CB-CG 4.36Å; P107-W109 HydrophobicContact CB-CZ2 3.88Å; P107-W109 HydrophobicContact CG-CD2 3.94Å; P107-W109 HydrophobicContact CG-CE3 4.26Å; P107-W109 HydrophobicContact CG-CH2 3.89Å; P107-W109 HydrophobicContact CG-CZ2 3.53Å; P107-W109 HydrophobicContact CG-CZ3 4.23Å; P107-W109 PolarHBondContact O-N 3.15Å; W109-D111 PolarHBondContact O-N 3.1Å; W109-I112 WeakPolarHBondContact O-CB 3.44Å; W109-I112 PolarHBondContact O-N 3.18Å; W109-V113 HydrophobicContact CE3-CG1 3.85Å; W109-V113 HydrophobicContact CE3-CG2 3.99Å; W109-V113 HydrophobicContact CZ3-CG1 4.13Å; W109-V113 HydrophobicContact CZ3-CG2 3.92Å; W109-V113 PolarHBondContact O-N 2.98Å; W109-F116 HydrophobicContact CH2-CE2 4.02Å; W109-F116 HydrophobicContact CZ3-CD2 4.02Å; W109-F116 AromaticContact CZ3-CE2 3.88Å; W109-F116 HydrophobicContact CZ3-CE2 3.88Å; W109-F136 AromaticContact CH2-CE1 3.93Å; W109-F136 HydrophobicContact CH2-CE1 3.93Å; W109-F136 HydrophobicContact CH2-CE2 4.33Å; W109-F136 AromaticContact CH2-CZ 3.78Å; W109-F136 HydrophobicContact CH2-CZ 3.78Å; W109-F136 HydrophobicContact CZ3-CD2 4.41Å; W109-F136 HydrophobicContact CZ3-CE1 4.21Å; W109-F136 HydrophobicContact CZ3-CE2 4.09Å; W109-F136 AromaticContact CZ3-CZ 3.98Å; W109-F136 HydrophobicContact CZ3-CZ 3.98Å
110S97.4Very high95.8Very high22 Ų2266.9 Ų66.915%0.15436%0.363CS..THydrogen-bonded Turntrans-59.4-30.4-174.959.20000113.6P107 I112 F116P107-S110 WeakPolarHBondContact O-CB 3.48Å; P107-S110 PolarHBondContact O-N 3.4Å; P107-S110 PolarHBondContact O-OG 3.23Å; P107-S110 VanDerWaalsContact O-OG 3.1Å; S110-I112 VanDerWaalsContact C-N 3.3Å; S110-F116 VanDerWaalsContact O-CB 3.25Å; S110-F116 WeakPolarHBondContact O-CB 3.49Å
111D97.9Very high95.9Very high108 Ų10869.2 Ų69.258%0.57837%0.365SS*.THydrogen-bonded Turntrans-80.1-6.2178.162.6-43000114.1K65 W109K65-D111 VanDerWaalsContact CE-OD1 3.28Å; K65-D111 WeakPolarHBondContact CE-OD1 3.39Å; K65-D111 WeakPolarHBondContact CE-OD2 3.4Å; K65-D111 IonicContact NZ-OD1 2.72Å; K65-D111 PolarHBondContact NZ-OD1 2.63Å; K65-D111 IonicContact NZ-OD2 2.79Å; K65-D111 PolarHBondContact NZ-OD2 2.7Å; W109-D111 PolarHBondContact O-N 3.1Å
112I98.4Very high96Very high19 Ų1968.8 Ų68.810%0.09737%0.369CS..THydrogen-bonded Turntrans-98.5-37.9-180-65.1165.3000111K65 F68 K69 F72 W109 S110K65-I112 HydrophobicContact CD-CD1 4.46Å; K65-I112 HydrophobicContact CG-CD1 3.66Å; F68-I112 HydrophobicContact CD1-CB 4.12Å; F68-I112 HydrophobicContact CD1-CD1 3.72Å; F68-I112 HydrophobicContact CD1-CG2 3.81Å; F68-I112 HydrophobicContact CE1-CB 3.87Å; F68-I112 HydrophobicContact CE1-CD1 4.34Å; F68-I112 HydrophobicContact CE1-CG2 3.57Å; K69-I112 HydrophobicContact CB-CD1 3.75Å; K69-I112 HydrophobicContact CB-CG1 4.3Å; K69-I112 HydrophobicContact CG-CD1 4.34Å; K69-I112 HydrophobicContact CG-CG1 4.38Å; F72-I112 HydrophobicContact CB-CG2 3.7Å; F72-I112 HydrophobicContact CD1-CG2 4.13Å; F72-I112 HydrophobicContact CD2-CG2 4.17Å; F72-I112 WeakPolarHBondContact CE1-O 3.46Å; F72-I112 HydrophobicContact CG-CG2 3.73Å; W109-I112 WeakPolarHBondContact O-CB 3.44Å; W109-I112 PolarHBondContact O-N 3.18Å; S110-I112 VanDerWaalsContact C-N 3.3Å
113V98.4Very high96.3Very high9 Ų968.7 Ų68.76%0.05537%0.366CS..SBendtrans-76164.4176.5-59.60000111F68 F72 W109 F116 F136F68-V113 HydrophobicContact CE1-CG1 4.15Å; F68-V113 HydrophobicContact CZ-CG1 3.98Å; F72-V113 HydrophobicContact CE2-CG1 4.28Å; W109-V113 HydrophobicContact CE3-CG1 3.85Å; W109-V113 HydrophobicContact CE3-CG2 3.99Å; W109-V113 HydrophobicContact CZ3-CG1 4.13Å; W109-V113 HydrophobicContact CZ3-CG2 3.92Å; W109-V113 PolarHBondContact O-N 2.98Å; V113-F116 HydrophobicContact CG2-CB 3.96Å; V113-F116 HydrophobicContact CG2-CD2 3.91Å; V113-F116 HydrophobicContact CG2-CG 4.41Å; V113-F136 HydrophobicContact CB-CD2 4.15Å; V113-F136 HydrophobicContact CG1-CD2 4.38Å; V113-F136 HydrophobicContact CG2-CB 3.97Å; V113-F136 HydrophobicContact CG2-CD2 3.99Å; V113-F136 HydrophobicContact CG2-CG 4.15Å
114L98.6Very high96.6Very high64 Ų6459.4 Ų59.434%0.33533%0.326SS..EExtended strand (participates in β ladder)trans-89.8126.5-171.8-51.6176.2000110.8F72 F76 F116 T137F72-L114 HydrophobicContact CE1-CD2 4.26Å; F72-L114 HydrophobicContact CZ-CD2 4.16Å; F72-L114 HydrophobicContact CZ-CG 3.96Å; F76-L114 HydrophobicContact CD2-CD1 4.35Å; F76-L114 HydrophobicContact CE2-CD1 3.67Å; F76-L114 HydrophobicContact CZ-CD1 4.26Å; L114-F116 VanDerWaalsContact C-N 3.34Å; L114-F116 PolarHBondContact O-N 2.86Å; L114-T137 HydrophobicContact CB-CG2 4.46Å; L114-T137 HydrophobicContact CD1-CG2 4.27Å; L114-T137 PolarHBondContact N-O 3.42Å; L114-T137 PolarHBondContact O-N 3.42Å
115G98.1Very high97.1Very high65 Ų6559.2 Ų59.267%0.6733%0.326SS*.EExtended strand (participates in β ladder)trans63.735.3170.900000114.2R117G115-R117 PolarHBondContact O-N 2.8Å
116F98.6Very high97.3Very high37 Ų3760.5 Ų60.516%0.16233%0.33CS..EExtended strand (participates in β ladder)trans-60.5130.2176.3-171.2-80.8000111.5L106 P107 W109 S110 V113 L114 Q134 A135 F136L106-F116 HydrophobicContact CD2-CD1 4.24Å; L106-F116 HydrophobicContact CD2-CE1 3.78Å; P107-F116 VanDerWaalsContact CD-CZ 3.44Å; P107-F116 HydrophobicContact CG-CE2 3.89Å; P107-F116 HydrophobicContact CG-CZ 3.87Å; W109-F116 HydrophobicContact CH2-CE2 4.02Å; W109-F116 HydrophobicContact CZ3-CD2 4.02Å; W109-F116 AromaticContact CZ3-CE2 3.88Å; W109-F116 HydrophobicContact CZ3-CE2 3.88Å; S110-F116 VanDerWaalsContact O-CB 3.25Å; S110-F116 WeakPolarHBondContact O-CB 3.49Å; V113-F116 HydrophobicContact CG2-CB 3.96Å; V113-F116 HydrophobicContact CG2-CD2 3.91Å; V113-F116 HydrophobicContact CG2-CG 4.41Å; L114-F116 VanDerWaalsContact C-N 3.34Å; L114-F116 PolarHBondContact O-N 2.86Å; F116-Q134 HydrophobicContact CE1-CG 4.34Å; F116-Q134 HydrophobicContact CE2-CB 4.05Å; F116-Q134 HydrophobicContact CE2-CG 4.25Å; F116-Q134 HydrophobicContact CZ-CB 3.87Å; F116-Q134 HydrophobicContact CZ-CG 3.62Å; F116-A135 WeakPolarHBondContact CA-O 3.3Å; F116-F136 HydrophobicContact CB-CB 4.28Å; F116-F136 HydrophobicContact CD2-CB 4Å; F116-F136 AromaticContact CD2-CD1 3.99Å; F116-F136 HydrophobicContact CD2-CD1 3.99Å; F116-F136 HydrophobicContact CD2-CG 4.15Å; F116-F136 HydrophobicContact CE2-CD1 4.14Å
117R97.9Very high97.4Very high107 Ų10755.4 Ų55.440%0.40430%0.302SS..EExtended strand (participates in β ladder)trans-157.4162.8174.957.1171.5-179.377.3-0.2111.3G115 E123 Q134 A135G115-R117 PolarHBondContact O-N 2.8Å; R117-E123 IonicContact CZ-OE1 3.63Å; R117-E123 IonicContact CZ-OE2 3.48Å; R117-E123 IonicContact NH1-OE1 3.6Å; R117-E123 IonicContact NH1-OE2 2.7Å; R117-E123 PolarHBondContact NH1-OE2 2.73Å; R117-E123 IonicContact NH2-OE1 2.74Å; R117-E123 PolarHBondContact NH2-OE1 2.91Å; R117-E123 IonicContact NH2-OE2 3.35Å; R117-E123 PolarHBondContact NH2-OE2 2.95Å; R117-Q134 CarbonylContact O-C 3.56Å; R117-Q134 WeakPolarHBondContact O-CA 3.38Å; R117-A135 HydrophobicContact CG-CB 4.2Å; R117-A135 PolarHBondContact N-O 3.1Å; R117-A135 PolarHBondContact O-N 2.96Å
118P97.6Very high97.4Very high72 Ų7259.5 Ų59.547%0.46833%0.329SS..EExtended strand (participates in β ladder)trans-59.3151.5161.2-20.533.3000111.5G133P118-G133 CarbonylContact C-O 3.59Å; P118-G133 WeakPolarHBondContact CA-O 3.47Å
119M98.3Very high97.4Very high15 Ų1564.6 Ų64.67%0.07435%0.353CS..PPolyproline II helixtrans-69.3145.7169.3-75.6174.769.700110.6W95 I97 E123 L124 F127 G133 A135W95-M119 HydrophobicContact CB-CE 4.28Å; W95-M119 HydrophobicContact CB-SD 3.78Å; W95-M119 HydrophobicContact CG-CE 3.88Å; W95-M119 HydrophobicContact CG-CG 4.49Å; W95-M119 HydrophobicContact CG-SD 3.82Å; I97-M119 HydrophobicContact CG2-CE 4.5Å; I97-M119 HydrophobicContact CG2-SD 3.97Å; M119-E123 WeakPolarHBondContact CA-OE2 3.38Å; M119-E123 HydrophobicContact CB-CB 4.15Å; M119-E123 VanDerWaalsContact CE-C 3.43Å; M119-E123 HydrophobicContact CE-CB 3.57Å; M119-E123 VanDerWaalsContact CE-O 3.3Å; M119-E123 WeakPolarHBondContact CE-O 3.43Å; M119-E123 HydrophobicContact CG-CB 4.38Å; M119-L124 HydrophobicContact CB-CD2 4.09Å; M119-L124 HydrophobicContact CB-CG 3.93Å; M119-L124 HydrophobicContact CE-CD2 4.07Å; M119-L124 HydrophobicContact CE-CG 4.42Å; M119-L124 HydrophobicContact SD-CD2 4.07Å; M119-F127 HydrophobicContact CE-CD2 3.77Å; M119-F127 HydrophobicContact CE-CE2 3.71Å; M119-G133 PolarHBondContact N-O 2.89Å; M119-G133 VanDerWaalsContact SD-CA 3.54Å; M119-A135 HydrophobicContact CG-CB 4.18Å
120S97.9Very high97.4Very high56 Ų5664.4 Ų64.439%0.39235%0.353SS..PPolyproline II helixtrans-75164168.573.60000111A122 E123 L124S120-A122 VanDerWaalsContact C-N 3.27Å; S120-A122 PolarHBondContact O-N 2.9Å; S120-E123 PolarHBondContact N-OE2 3.29Å; S120-E123 PolarHBondContact O-N 2.74Å; S120-E123 VanDerWaalsContact O-N 3.08Å; S120-E123 WeakPolarHBondContact OG-CG 3.35Å; S120-E123 PolarHBondContact OG-N 3.42Å; S120-L124 PolarHBondContact O-N 3.18Å
121E96.9Very high97.4Very high134 Ų13471.2 Ų71.263%0.62638%0.375SS*.Hα-helixtrans-56.3-42.8175.7-171.359.4-153.400111.9E123 L124 Q125E121-E123 VanDerWaalsContact C-N 3.3Å; E121-E123 PolarHBondContact O-N 2.65Å; E121-L124 PolarHBondContact O-N 3.22Å; E121-L124 VanDerWaalsContact O-N 3.16Å; E121-Q125 WeakPolarHBondContact O-CG 3.4Å; E121-Q125 PolarHBondContact O-N 2.6Å
122A97.6Very high97.4Very high65 Ų6567.1 Ų67.154%0.53735%0.352SS..Hα-helixtrans-65.1-32.1177.900000112.9S120S120-A122 VanDerWaalsContact C-N 3.27Å; S120-A122 PolarHBondContact O-N 2.9Å
123E97.9Very high97.3Very high29 Ų2966.2 Ų66.214%0.13635%0.348CS..Hα-helixtrans-72.9-38.2173-69.4175.1128.600111.6W95 R117 M119 S120 E121 Q125 K126W95-E123 PolarHBondContact NE1-OE1 2.86Å; R117-E123 IonicContact CZ-OE1 3.63Å; R117-E123 IonicContact CZ-OE2 3.48Å; R117-E123 IonicContact NH1-OE1 3.6Å; R117-E123 IonicContact NH1-OE2 2.7Å; R117-E123 PolarHBondContact NH1-OE2 2.73Å; R117-E123 IonicContact NH2-OE1 2.74Å; R117-E123 PolarHBondContact NH2-OE1 2.91Å; R117-E123 IonicContact NH2-OE2 3.35Å; R117-E123 PolarHBondContact NH2-OE2 2.95Å; M119-E123 WeakPolarHBondContact CA-OE2 3.38Å; M119-E123 HydrophobicContact CB-CB 4.15Å; M119-E123 VanDerWaalsContact CE-C 3.43Å; M119-E123 HydrophobicContact CE-CB 3.57Å; M119-E123 VanDerWaalsContact CE-O 3.3Å; M119-E123 WeakPolarHBondContact CE-O 3.43Å; M119-E123 HydrophobicContact CG-CB 4.38Å; S120-E123 PolarHBondContact N-OE2 3.29Å; S120-E123 PolarHBondContact O-N 2.74Å; S120-E123 VanDerWaalsContact O-N 3.08Å; S120-E123 WeakPolarHBondContact OG-CG 3.35Å; S120-E123 PolarHBondContact OG-N 3.42Å; E121-E123 VanDerWaalsContact C-N 3.3Å; E121-E123 PolarHBondContact O-N 2.65Å; E123-Q125 VanDerWaalsContact C-N 3.31Å; E123-Q125 PolarHBondContact O-N 3.23Å; E123-K126 WeakPolarHBondContact O-CB 3.43Å; E123-K126 WeakPolarHBondContact O-CG 3.4Å; E123-K126 PolarHBondContact O-N 3.16Å
124L97.3Very high97.3Very high24 Ų2466 Ų6613%0.12635%0.346CS..Hα-helixtrans-67-29.9177.9-75.4173.1000112.9M119 S120 E121 K126 F127M119-L124 HydrophobicContact CB-CD2 4.09Å; M119-L124 HydrophobicContact CB-CG 3.93Å; M119-L124 HydrophobicContact CE-CD2 4.07Å; M119-L124 HydrophobicContact CE-CG 4.42Å; M119-L124 HydrophobicContact SD-CD2 4.07Å; S120-L124 PolarHBondContact O-N 3.18Å; E121-L124 PolarHBondContact O-N 3.22Å; E121-L124 VanDerWaalsContact O-N 3.16Å; L124-K126 PolarHBondContact O-N 2.9Å; L124-F127 CarbonylContact O-C 3.56Å; L124-F127 WeakPolarHBondContact O-CA 3.31Å; L124-F127 PolarHBondContact O-N 3.09Å
125Q96.7Very high97.3Very high137 Ų13763.1 Ų63.164%0.6433%0.332SS*.THydrogen-bonded Turntrans-56.6-21.6174-75.7174-4.600113.6E121 E123 F127E121-Q125 WeakPolarHBondContact O-CG 3.4Å; E121-Q125 PolarHBondContact O-N 2.6Å; E123-Q125 VanDerWaalsContact C-N 3.31Å; E123-Q125 PolarHBondContact O-N 3.23Å; Q125-F127 PolarHBondContact O-N 3.25Å
126K95.6Very high97.4Very high123 Ų12360.4 Ų60.454%0.53530%0.302SS..THydrogen-bonded Turntrans-68.2-21.1172.5-60.4179.7-1791790113.1E123 L124 P128E123-K126 WeakPolarHBondContact O-CB 3.43Å; E123-K126 WeakPolarHBondContact O-CG 3.4Å; E123-K126 PolarHBondContact O-N 3.16Å; L124-K126 PolarHBondContact O-N 2.9Å; K126-P128 WeakPolarHBondContact O-CD 3.47Å
127F96.9Very high97.4Very high11 Ų1160.3 Ų60.35%0.04830%0.304CS..  trans-127.172.6-174.7-51.7-75.2000110.2W95 I97 M119 L124 Q125 Q129 H130 V215W95-F127 HydrophobicContact CB-CE2 4.42Å; W95-F127 HydrophobicContact CD2-CE2 4.33Å; W95-F127 HydrophobicContact CD2-CZ 4.5Å; W95-F127 HydrophobicContact CE3-CE2 4.32Å; W95-F127 HydrophobicContact CE3-CZ 4.06Å; W95-F127 HydrophobicContact CG-CE2 4.38Å; I97-F127 HydrophobicContact CD1-CB 4.31Å; I97-F127 HydrophobicContact CD1-CD1 3.62Å; I97-F127 HydrophobicContact CD1-CE1 4.07Å; I97-F127 HydrophobicContact CD1-CG 3.95Å; I97-F127 HydrophobicContact CG2-CD2 3.77Å; I97-F127 HydrophobicContact CG2-CE2 3.96Å; I97-F127 HydrophobicContact CG2-CG 4.04Å; I97-F127 HydrophobicContact CG2-CZ 4.42Å; M119-F127 HydrophobicContact CE-CD2 3.77Å; M119-F127 HydrophobicContact CE-CE2 3.71Å; L124-F127 CarbonylContact O-C 3.56Å; L124-F127 WeakPolarHBondContact O-CA 3.31Å; L124-F127 PolarHBondContact O-N 3.09Å; Q125-F127 PolarHBondContact O-N 3.25Å; F127-Q129 PolarHBondContact O-N 2.97Å; F127-H130 HydrophobicContact CB-CB 4.06Å; F127-H130 PolarHBondContact O-N 3.38Å; F127-V215 HydrophobicContact CE1-CG1 3.79Å; F127-V215 HydrophobicContact CE1-CG2 4.09Å; F127-V215 HydrophobicContact CZ-CG1 4.12Å; F127-V215 HydrophobicContact CZ-CG2 3.95Å
128P94.8Very high97.4Very high103 Ų10355.2 Ų55.267%0.66929%0.286SS*.THydrogen-bonded Turntrans-63.7-18.5-169.724.6-35.2000114.6K126 H130 R131K126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-H130 VanDerWaalsContact C-N 3.34Å; P128-R131 PolarHBondContact O-NH1 3.05Å
129Q95.3Very high97.5Very high142 Ų14251.8 Ų51.866%0.66426%0.263SS*.THydrogen-bonded Turntrans-87.3-3176.8-61.5-174.50.400113.5F127F127-Q129 PolarHBondContact O-N 2.97Å
130H97.3Very high97.4Very high10 Ų1051.1 Ų51.15%0.04626%0.26CS..  trans-110.8158.1-178.5-60.973.2000109.8I97 F98 F127 P128 D217I97-H130 HydrophobicContact CB-CB 4.3Å; I97-H130 WeakPolarHBondContact CD1-NE2 3.45Å; F98-H130 WeakPolarHBondContact O-CA 3.45Å; F98-H130 WeakPolarHBondContact O-CB 3.25Å; F127-H130 HydrophobicContact CB-CB 4.06Å; F127-H130 PolarHBondContact O-N 3.38Å; P128-H130 VanDerWaalsContact C-N 3.34Å; H130-D217 IonicContact CD2-OD2 3.87Å; H130-D217 IonicContact CE1-OD2 3.92Å; H130-D217 IonicContact NE2-OD1 2.65Å; H130-D217 IonicContact NE2-OD2 3.71Å; H130-D217 PolarHBondContact NE2-OD2 2.92Å
131R96.7Very high97.3Very high165 Ų16548.5 Ų48.562%0.62324%0.241SC*.SBendtrans-125-17.3-174.7-65.5-66.2-179.7-87.60.4113.3F98 K99 P128F98-R131 PolarHBondContact O-N 3.42Å; K99-R131 WeakPolarHBondContact O-CB 3.43Å; K99-R131 VanDerWaalsContact O-CG 3.27Å; K99-R131 WeakPolarHBondContact O-CG 3.45Å; P128-R131 PolarHBondContact O-NH1 3.05Å
132F97.8Very high97.2Very high22 Ų2242.7 Ų42.710%0.09622%0.215CC..EExtended strand (participates in β ladder)trans-142.9153.2177.8-176.5-96.2000109.2F98 T101 P102 E105 Q134F98-F132 HydrophobicContact CB-CB 4.42Å; F98-F132 AromaticContact CD2-CD1 3.74Å; F98-F132 HydrophobicContact CD2-CD1 3.74Å; F98-F132 HydrophobicContact CD2-CE1 4.43Å; F98-F132 HydrophobicContact CE2-CD1 4.2Å; F98-F132 HydrophobicContact CE2-CE1 4.46Å; F98-F132 HydrophobicContact CG-CD1 4.41Å; F98-F132 PolarHBondContact N-O 3.23Å; F98-F132 PolarHBondContact O-N 3.47Å; T101-F132 HydrophobicContact CG2-CD2 4.07Å; T101-F132 HydrophobicContact CG2-CE2 4.42Å; T101-F132 HydrophobicContact CG2-CG 4.31Å; P102-F132 HydrophobicContact CG-CD1 3.98Å; P102-F132 HydrophobicContact CG-CE1 3.96Å; E105-F132 HydrophobicContact CB-CZ 3.91Å; E105-F132 HydrophobicContact CG-CE1 4.39Å; E105-F132 HydrophobicContact CG-CE2 4.11Å; E105-F132 HydrophobicContact CG-CZ 3.78Å; F132-Q134 HydrophobicContact CE1-CG 3.79Å; F132-Q134 HydrophobicContact CZ-CG 4.43Å
133G97.9Very high97.1Very high1 Ų140 Ų401%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-160.8155.6177.600000112.6Q96 P118 M119Q96-G133 CarbonylContact O-C 3.43Å; Q96-G133 VanDerWaalsContact O-CA 3.26Å; Q96-G133 WeakPolarHBondContact O-CA 3.32Å; P118-G133 CarbonylContact C-O 3.59Å; P118-G133 WeakPolarHBondContact CA-O 3.47Å; M119-G133 PolarHBondContact N-O 2.89Å; M119-G133 VanDerWaalsContact SD-CA 3.54Å
134Q98.3Very high97Very high3 Ų340.8 Ų40.81%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-120.8133.1179.6-64.1161.2-18.600107.7W95 Q96 F98 E105 F116 R117 F132W95-Q134 CarbonylContact C-O 3.55Å; W95-Q134 VanDerWaalsContact CA-O 3.27Å; W95-Q134 WeakPolarHBondContact CA-O 3.33Å; Q96-Q134 HydrophobicContact CB-CB 4.47Å; Q96-Q134 PolarHBondContact N-O 2.98Å; Q96-Q134 PolarHBondContact O-N 3.19Å; F98-Q134 HydrophobicContact CE2-CG 4.15Å; E105-Q134 PolarHBondContact O-NE2 3.02Å; F116-Q134 HydrophobicContact CE1-CG 4.34Å; F116-Q134 HydrophobicContact CE2-CB 4.05Å; F116-Q134 HydrophobicContact CE2-CG 4.25Å; F116-Q134 HydrophobicContact CZ-CB 3.87Å; F116-Q134 HydrophobicContact CZ-CG 3.62Å; R117-Q134 CarbonylContact O-C 3.56Å; R117-Q134 WeakPolarHBondContact O-CA 3.38Å; F132-Q134 HydrophobicContact CE1-CG 3.79Å; F132-Q134 HydrophobicContact CZ-CG 4.43Å
135A98.6Very high97Very high5 Ų541.6 Ų41.64%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-110.6133.8173.900000109.4G94 F116 R117 M119G94-A135 WeakPolarHBondContact O-CA 3.47Å; F116-A135 WeakPolarHBondContact CA-O 3.3Å; R117-A135 HydrophobicContact CG-CB 4.2Å; R117-A135 PolarHBondContact N-O 3.1Å; R117-A135 PolarHBondContact O-N 2.96Å; M119-A135 HydrophobicContact CG-CB 4.18Å
136F98.8Very high97.1Very high7 Ų735.1 Ų35.13%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-160.9165.3176.559-84.1000111.1I52 G94 Q96 W109 V113 F116 T138 F214I52-F136 HydrophobicContact CD1-CE2 4.47Å; I52-F136 HydrophobicContact CD1-CZ 4.1Å; I52-F136 HydrophobicContact CG1-CE2 4.31Å; I52-F136 HydrophobicContact CG1-CZ 4.3Å; G94-F136 PolarHBondContact N-O 3.24Å; G94-F136 VanDerWaalsContact N-O 3.09Å; G94-F136 PolarHBondContact O-N 2.95Å; Q96-F136 HydrophobicContact CB-CE1 4.04Å; W109-F136 AromaticContact CH2-CE1 3.93Å; W109-F136 HydrophobicContact CH2-CE1 3.93Å; W109-F136 HydrophobicContact CH2-CE2 4.33Å; W109-F136 AromaticContact CH2-CZ 3.78Å; W109-F136 HydrophobicContact CH2-CZ 3.78Å; W109-F136 HydrophobicContact CZ3-CD2 4.41Å; W109-F136 HydrophobicContact CZ3-CE1 4.21Å; W109-F136 HydrophobicContact CZ3-CE2 4.09Å; W109-F136 AromaticContact CZ3-CZ 3.98Å; W109-F136 HydrophobicContact CZ3-CZ 3.98Å; V113-F136 HydrophobicContact CB-CD2 4.15Å; V113-F136 HydrophobicContact CG1-CD2 4.38Å; V113-F136 HydrophobicContact CG2-CB 3.97Å; V113-F136 HydrophobicContact CG2-CD2 3.99Å; V113-F136 HydrophobicContact CG2-CG 4.15Å; F116-F136 HydrophobicContact CB-CB 4.28Å; F116-F136 HydrophobicContact CD2-CB 4Å; F116-F136 AromaticContact CD2-CD1 3.99Å; F116-F136 HydrophobicContact CD2-CD1 3.99Å; F116-F136 HydrophobicContact CD2-CG 4.15Å; F116-F136 HydrophobicContact CE2-CD1 4.14Å; F136-T138 HydrophobicContact CD2-CG2 4.44Å; F136-T138 HydrophobicContact CE2-CG2 4Å; F136-F214 HydrophobicContact CD1-CZ 4.12Å; F136-F214 HydrophobicContact CD2-CE1 4.35Å; F136-F214 AromaticContact CD2-CZ 3.9Å; F136-F214 HydrophobicContact CD2-CZ 3.9Å; F136-F214 HydrophobicContact CE1-CE2 4.1Å; F136-F214 AromaticContact CE1-CZ 3.71Å; F136-F214 HydrophobicContact CE1-CZ 3.71Å; F136-F214 HydrophobicContact CE2-CE1 4.11Å; F136-F214 HydrophobicContact CE2-CE2 4.28Å; F136-F214 AromaticContact CE2-CZ 3.47Å; F136-F214 HydrophobicContact CE2-CZ 3.47Å; F136-F214 VanDerWaalsContact CE2-CZ 3.47Å; F136-F214 HydrophobicContact CG-CZ 4.21Å; F136-F214 HydrophobicContact CZ-CE1 4.41Å; F136-F214 AromaticContact CZ-CE2 3.79Å; F136-F214 HydrophobicContact CZ-CE2 3.79Å; F136-F214 AromaticContact CZ-CZ 3.37Å; F136-F214 HydrophobicContact CZ-CZ 3.37Å
137T98.8Very high97.2Very high35 Ų3529.3 Ų29.322%0.21515%0.151CC..EExtended strand (participates in β ladder)trans-108.3130.1168.4-62.10000109.2P91 V92 S93 L114P91-T137 HydrophobicContact CB-CG2 4.24Å; V92-T137 WeakPolarHBondContact O-CA 3.19Å; S93-T137 WeakPolarHBondContact CB-OG1 3.44Å; S93-T137 PolarHBondContact OG-OG1 3.28Å; L114-T137 HydrophobicContact CB-CG2 4.46Å; L114-T137 HydrophobicContact CD1-CG2 4.27Å; L114-T137 PolarHBondContact N-O 3.42Å; L114-T137 PolarHBondContact O-N 3.42Å
138T98.7Very high97.3Very high1 Ų133.4 Ų33.41%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-128.6-170.1173.4-167.10000109.8M50 L51 I52 P91 V92 F136 F214M50-T138 HydrophobicContact CE-CG2 3.6Å; L51-T138 PolarHBondContact O-OG1 3.09Å; I52-T138 HydrophobicContact CG1-CG2 4.49Å; P91-T138 CarbonylContact C-O 3.58Å; P91-T138 WeakPolarHBondContact CA-O 3.36Å; V92-T138 HydrophobicContact CG1-CG2 4.16Å; V92-T138 PolarHBondContact N-O 2.8Å; V92-T138 PolarHBondContact O-N 3.41Å; F136-T138 HydrophobicContact CD2-CG2 4.44Å; F136-T138 HydrophobicContact CE2-CG2 4Å; T138-F214 HydrophobicContact CG2-CE1 4.27Å
139L98.6Very high97.5Very high0 Ų028.7 Ų28.70%014%0.141CC..EExtended strand (participates in β ladder)trans-103.4148.7173.7-61.6170.7000110.4L51 F72 L75 F76 H90 P91L51-L139 HydrophobicContact CB-CB 4.16Å; L51-L139 WeakPolarHBondContact CB-O 3.37Å; L51-L139 HydrophobicContact CD2-CB 3.95Å; L51-L139 HydrophobicContact CD2-CD1 4Å; L51-L139 HydrophobicContact CD2-CG 4.36Å; L51-L139 PolarHBondContact N-O 3.08Å; F72-L139 HydrophobicContact CE2-CG 4.43Å; L75-L139 VanDerWaalsContact C-CD1 3.46Å; L75-L139 HydrophobicContact CB-CD1 3.53Å; F76-L139 HydrophobicContact CB-CD1 3.98Å; F76-L139 HydrophobicContact CD2-CD2 4.31Å; F76-L139 VanDerWaalsContact N-CD1 3.29Å; H90-L139 WeakPolarHBondContact O-CA 3.47Å; P91-L139 HydrophobicContact CB-CD2 4.35Å
140K97.9Very high97.6Very high0 Ų021.9 Ų21.90%011%0.11CC..EExtended strand (participates in β ladder)trans-122.4143.4166.6-171.4-172.9173.6-55.70109.6G49 M50 I89 H90 V92 D142 P226 G227G49-K140 CarbonylContact O-C 3.42Å; G49-K140 WeakPolarHBondContact O-CA 3.38Å; M50-K140 HydrophobicContact SD-CB 3.88Å; M50-K140 HydrophobicContact SD-CD 4.01Å; M50-K140 HydrophobicContact SD-CG 3.82Å; I89-K140 WeakPolarHBondContact CA-O 3.5Å; H90-K140 PolarHBondContact N-O 3.12Å; H90-K140 PolarHBondContact O-N 3.29Å; V92-K140 HydrophobicContact CB-CB 4.48Å; V92-K140 HydrophobicContact CG1-CB 3.82Å; K140-D142 IonicContact NZ-OD1 3.12Å; K140-D142 PolarHBondContact NZ-OD1 3.48Å; K140-P226 WeakPolarHBondContact CD-O 3.33Å; K140-G227 VanDerWaalsContact CE-CA 3.45Å
141C96.1Very high97.7Very high1 Ų122.3 Ų22.31%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-108.5133.7170173.10000110.3G49 G88 I89 C143 Y146 F311G49-C141 WeakPolarHBondContact CA-O 3.05Å; G49-C141 PolarHBondContact O-N 2.64Å; G88-C141 CarbonylContact O-C 3.57Å; G88-C141 WeakPolarHBondContact O-CA 3.33Å; I89-C141 HydrophobicContact CD1-CB 3.48Å; I89-C141 VanDerWaalsContact CD1-CB 3.48Å; C141-C143 VanDerWaalsContact SG-CA 3.56Å; C141-Y146 WeakPolarHBondContact SG-CB 3.18Å; C141-F311 HydrophobicContact CB-CD2 4.26Å; C141-F311 HydrophobicContact CB-CE1 3.72Å; C141-F311 HydrophobicContact CB-CE2 3.37Å; C141-F311 HydrophobicContact CB-CZ 3.07Å
142D94.7Very high97.8Very high13 Ų1319.9 Ų19.97%0.0711%0.105CC..  trans-84.3105.1154.1-76.91.5000106.6G88 K140 P145 Y146 I228G88-D142 PolarHBondContact O-N 3Å; K140-D142 IonicContact NZ-OD1 3.12Å; K140-D142 PolarHBondContact NZ-OD1 3.48Å; D142-P145 HydrophobicContact CB-CG 4.13Å; D142-P145 VanDerWaalsContact O-CD 3.23Å; D142-P145 WeakPolarHBondContact O-CD 3.5Å; D142-Y146 PolarHBondContact O-N 2.91Å; D142-I228 WeakPolarHBondContact OD2-CB 3.43Å; D142-I228 PolarHBondContact OD2-N 3.33Å; D142-I228 VanDerWaalsContact OD2-N 3.08Å
143C94.4Very high97.8Very high8 Ų822.4 Ų22.45%0.05411%0.114CC..Hα-helixtrans-62.7-44.3-164.4-60.90000115.1S44 C141 Y146 L147S44-C143 WeakPolarHBondContact O-CB 3.43Å; C141-C143 VanDerWaalsContact SG-CA 3.56Å; C143-Y146 WeakPolarHBondContact O-CB 3.15Å; C143-Y146 PolarHBondContact O-N 2.91Å; C143-Y146 VanDerWaalsContact O-N 3.1Å; C143-L147 WeakPolarHBondContact O-CG 3.43Å; C143-L147 PolarHBondContact O-N 3.29Å
144P95.6Very high97.9Very high45 Ų4522.4 Ų22.429%0.29211%0.114SC..Hα-helixtrans-59.5-47.1-179.8-19.629.2000113.5T39 D45 Y146 L147 L148T39-P144 HydrophobicContact CG2-CB 4.03Å; D45-P144 HydrophobicContact CB-CG 4.28Å; D45-P144 WeakPolarHBondContact OD1-CA 3.36Å; D45-P144 WeakPolarHBondContact OD1-CB 3.46Å; D45-P144 WeakPolarHBondContact OD1-CG 3.28Å; P144-Y146 VanDerWaalsContact C-N 3.3Å; P144-Y146 PolarHBondContact O-N 3.33Å; P144-L147 PolarHBondContact O-N 3.46Å; P144-L148 WeakPolarHBondContact O-CG 3.43Å; P144-L148 PolarHBondContact O-N 2.87Å; P144-L148 VanDerWaalsContact O-N 3.12Å
145P97.1Very high97.9Very high41 Ų4128 Ų2827%0.26614%0.139SC..Hα-helixtrans-53.2-43.6170.1-28.633.3000114.1D142 L147 L148 W149D142-P145 HydrophobicContact CB-CG 4.13Å; D142-P145 VanDerWaalsContact O-CD 3.23Å; D142-P145 WeakPolarHBondContact O-CD 3.5Å; P145-L147 PolarHBondContact O-N 2.91Å; P145-L148 PolarHBondContact O-N 3.34Å; P145-W149 WeakPolarHBondContact O-CB 3.49Å; P145-W149 PolarHBondContact O-N 2.75Å
146Y98.4Very high97.8Very high2 Ų231.8 Ų31.81%0.00817%0.17CC..Hα-helixtrans-65.5-39.4-178.4-175-123.8000113.3V13 Y74 L75 I78 A87 I89 C141 D142 C143 P144 W149 L150 F311 H314V13-Y146 HydrophobicContact CG2-CD1 4.1Å; V13-Y146 HydrophobicContact CG2-CE1 3.76Å; Y74-Y146 WeakPolarHBondContact CE1-OH 3.45Å; L75-Y146 HydrophobicContact CD2-CE2 4.12Å; I78-Y146 HydrophobicContact CD1-CE2 4.33Å; A87-Y146 HydrophobicContact CB-CD2 4.29Å; A87-Y146 VanDerWaalsContact O-CA 3.28Å; A87-Y146 WeakPolarHBondContact O-CA 3.46Å; A87-Y146 VanDerWaalsContact O-CB 3.25Å; A87-Y146 WeakPolarHBondContact O-CB 3.38Å; A87-Y146 PolarHBondContact O-N 3.19Å; I89-Y146 HydrophobicContact CD1-CD2 3.84Å; I89-Y146 HydrophobicContact CD1-CE2 4.33Å; I89-Y146 HydrophobicContact CD1-CG 4.07Å; I89-Y146 HydrophobicContact CG1-CD2 4.14Å; I89-Y146 HydrophobicContact CG1-CE2 4.48Å; C141-Y146 WeakPolarHBondContact SG-CB 3.18Å; D142-Y146 PolarHBondContact O-N 2.91Å; C143-Y146 WeakPolarHBondContact O-CB 3.15Å; C143-Y146 PolarHBondContact O-N 2.91Å; C143-Y146 VanDerWaalsContact O-N 3.1Å; P144-Y146 VanDerWaalsContact C-N 3.3Å; P144-Y146 PolarHBondContact O-N 3.33Å; Y146-W149 HydrophobicContact CD2-CE3 4.23Å; Y146-W149 AromaticContact CE2-CE3 3.88Å; Y146-W149 HydrophobicContact CE2-CE3 3.88Å; Y146-W149 HydrophobicContact CE2-CZ3 4Å; Y146-W149 PolarHBondContact O-N 2.96Å; Y146-L150 HydrophobicContact CD1-CD1 4.2Å; Y146-L150 HydrophobicContact CE1-CD1 3.74Å; Y146-L150 HydrophobicContact CE1-CG 4.38Å; Y146-L150 HydrophobicContact CE2-CD2 4.5Å; Y146-L150 HydrophobicContact CE2-CG 4.29Å; Y146-L150 WeakPolarHBondContact O-CG 3.44Å; Y146-L150 PolarHBondContact O-N 3.19Å; Y146-F311 HydrophobicContact CD1-CE2 4.23Å; Y146-F311 HydrophobicContact CE1-CE2 4.25Å; Y146-H314 AromaticContact CE1-NE2 3.91Å; Y146-H314 AromaticContact CZ-NE2 3.9Å; Y146-H314 PolarHBondContact OH-NE2 3.07Å
147L98.6Very high97.7Very high1 Ų135.6 Ų35.61%0.00519%0.186CC..Hα-helixtrans-66.6-42.2176-60.3177.1000111.2V13 L16 T39 D45 C143 P144 P145 W149 L150 E151V13-L147 HydrophobicContact CB-CD2 3.88Å; V13-L147 HydrophobicContact CG2-CD2 4.34Å; L16-L147 HydrophobicContact CD1-CB 4.12Å; L16-L147 HydrophobicContact CD1-CD2 4.05Å; T39-L147 HydrophobicContact CG2-CB 4.35Å; T39-L147 WeakPolarHBondContact OG1-CB 3.25Å; T39-L147 WeakPolarHBondContact OG1-CD1 3.47Å; D45-L147 WeakPolarHBondContact OD1-CD1 3.37Å; C143-L147 WeakPolarHBondContact O-CG 3.43Å; C143-L147 PolarHBondContact O-N 3.29Å; P144-L147 PolarHBondContact O-N 3.46Å; P145-L147 PolarHBondContact O-N 2.91Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-W149 PolarHBondContact O-N 3.22Å; L147-L150 PolarHBondContact O-N 3.05Å; L147-E151 WeakPolarHBondContact O-CG 3.46Å; L147-E151 PolarHBondContact O-N 3.03Å
148L98.5Very high97.7Very high96 Ų9640.5 Ų40.550%0.50321%0.211SC..Hα-helixtrans-60.9-39.7173.7-68.9173.4000112T39 P144 P145 E151 K152T39-L148 HydrophobicContact CG2-CD2 4.18Å; T39-L148 HydrophobicContact CG2-CG 4.01Å; P144-L148 WeakPolarHBondContact O-CG 3.43Å; P144-L148 PolarHBondContact O-N 2.87Å; P144-L148 VanDerWaalsContact O-N 3.12Å; P145-L148 PolarHBondContact O-N 3.34Å; L148-E151 PolarHBondContact O-N 3.38Å; L148-K152 WeakPolarHBondContact O-CB 3.31Å; L148-K152 PolarHBondContact O-N 2.88Å
149W98.6Very high97.6Very high4 Ų440.8 Ų40.82%0.01521%0.213CC..Hα-helixtrans-63.5-42.1175.3179.493.6000111.9Y74 I78 E83 A87 P145 Y146 L147 K152 R153Y74-W149 WeakPolarHBondContact OH-CH2 3.49Å; Y74-W149 WeakPolarHBondContact OH-CZ3 3.42Å; I78-W149 HydrophobicContact CD1-CH2 3.6Å; I78-W149 HydrophobicContact CD1-CZ2 4.21Å; I78-W149 HydrophobicContact CD1-CZ3 4.01Å; I78-W149 HydrophobicContact CG1-CH2 4.23Å; I78-W149 HydrophobicContact CG1-CZ2 4.46Å; E83-W149 WeakPolarHBondContact OE2-CZ2 3.25Å; E83-W149 PolarHBondContact OE2-NE1 3.27Å; A87-W149 HydrophobicContact CB-CB 4.31Å; A87-W149 HydrophobicContact CB-CD2 3.98Å; A87-W149 HydrophobicContact CB-CG 3.81Å; P145-W149 WeakPolarHBondContact O-CB 3.49Å; P145-W149 PolarHBondContact O-N 2.75Å; Y146-W149 HydrophobicContact CD2-CE3 4.23Å; Y146-W149 AromaticContact CE2-CE3 3.88Å; Y146-W149 HydrophobicContact CE2-CE3 3.88Å; Y146-W149 HydrophobicContact CE2-CZ3 4Å; Y146-W149 PolarHBondContact O-N 2.96Å; L147-W149 VanDerWaalsContact C-N 3.3Å; L147-W149 PolarHBondContact O-N 3.22Å; W149-K152 PolarHBondContact O-N 3.07Å; W149-R153 HydrophobicContact CD2-CG 4.47Å; W149-R153 HydrophobicContact CZ2-CG 4.44Å; W149-R153 VanDerWaalsContact CZ2-NH1 3.29Å; W149-R153 VanDerWaalsContact CZ3-CD 3.46Å; W149-R153 PolarHBondContact O-N 3.29Å
150L98.8Very high97.6Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-63.2-44.3174.1-72.5171.5000111.7L16 L20 Y146 L147 K152 R153 L154L16-L150 HydrophobicContact CB-CB 3.94Å; L16-L150 HydrophobicContact CB-CD1 3.87Å; L16-L150 HydrophobicContact CD1-CB 4.26Å; L20-L150 HydrophobicContact CD2-CD2 3.71Å; Y146-L150 HydrophobicContact CD1-CD1 4.2Å; Y146-L150 HydrophobicContact CE1-CD1 3.74Å; Y146-L150 HydrophobicContact CE1-CG 4.38Å; Y146-L150 HydrophobicContact CE2-CD2 4.5Å; Y146-L150 HydrophobicContact CE2-CG 4.29Å; Y146-L150 WeakPolarHBondContact O-CG 3.44Å; Y146-L150 PolarHBondContact O-N 3.19Å; L147-L150 PolarHBondContact O-N 3.05Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 3Å; L150-R153 PolarHBondContact O-N 3.4Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 2.82Å
151E98.8Very high97.6Very high18 Ų1847.3 Ų47.38%0.08424%0.244CC..Hα-helixtrans-60.1-42.6175.7-72.3179.4-148.300112.1L16 T39 L147 L148 R153 L154 K155 L161L16-E151 HydrophobicContact CD1-CG 3.9Å; L16-E151 HydrophobicContact CD2-CG 4.1Å; T39-E151 PolarHBondContact OG1-OE1 3.1Å; L147-E151 WeakPolarHBondContact O-CG 3.46Å; L147-E151 PolarHBondContact O-N 3.03Å; L148-E151 PolarHBondContact O-N 3.38Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.41Å; E151-L154 PolarHBondContact O-N 2.95Å; E151-K155 WeakPolarHBondContact O-CG 3.35Å; E151-K155 PolarHBondContact O-N 3.02Å; E151-L161 HydrophobicContact CB-CD1 3.98Å; E151-L161 HydrophobicContact CG-CD1 3.88Å
152K98.6Very high97.7Very high114 Ų11452.4 Ų52.450%0.49626%0.264SS..Hα-helixtrans-59-44.9175.5-177.7-173.7178.1-171.70111.2E86 L148 W149 L150 K155 A156E86-K152 VanDerWaalsContact CD-NZ 3.28Å; E86-K152 VanDerWaalsContact OE1-CD 3.26Å; E86-K152 WeakPolarHBondContact OE1-CD 3.23Å; E86-K152 IonicContact OE1-NZ 3.88Å; E86-K152 PolarHBondContact OE1-NZ 3.39Å; E86-K152 IonicContact OE2-NZ 2.63Å; E86-K152 PolarHBondContact OE2-NZ 3.35Å; E86-K152 VanDerWaalsContact OE2-NZ 3.12Å; L148-K152 WeakPolarHBondContact O-CB 3.31Å; L148-K152 PolarHBondContact O-N 2.88Å; W149-K152 PolarHBondContact O-N 3.07Å; L150-K152 VanDerWaalsContact C-N 3.34Å; L150-K152 PolarHBondContact O-N 3Å; K152-K155 PolarHBondContact O-N 2.97Å; K152-A156 PolarHBondContact O-N 2.71Å
153R98.5Very high97.9Very high76 Ų7657.1 Ų57.129%0.28729%0.294SS..Hα-helixtrans-66.4-36.8177.6-73.3-174.366.5129.5-3113.3L20 E24 E83 W149 L150 E151 A156 K157L20-R153 HydrophobicContact CD1-CB 4.11Å; L20-R153 HydrophobicContact CD2-CB 4.31Å; E24-R153 IonicContact OE1-NH2 3.05Å; E24-R153 PolarHBondContact OE1-NH2 3.3Å; E83-R153 IonicContact OE2-NH1 2.85Å; W149-R153 HydrophobicContact CD2-CG 4.47Å; W149-R153 HydrophobicContact CZ2-CG 4.44Å; W149-R153 VanDerWaalsContact CZ2-NH1 3.29Å; W149-R153 VanDerWaalsContact CZ3-CD 3.46Å; W149-R153 PolarHBondContact O-N 3.29Å; L150-R153 PolarHBondContact O-N 3.4Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.41Å; R153-A156 PolarHBondContact O-N 3.08Å; R153-K157 PolarHBondContact O-N 3.25Å
154L98.7Very high98Very high0 Ų061.2 Ų61.20%031%0.308CS..Hα-helixtrans-64.9-45.9174.6-74.6170.3000111.3L16 A19 L20 V33 L150 E151 A156 K157 D158 V159 L161L16-L154 HydrophobicContact CB-CD1 4.3Å; L16-L154 HydrophobicContact CD2-CD1 3.68Å; A19-L154 HydrophobicContact CB-CD1 4.09Å; A19-L154 HydrophobicContact CB-CD2 3.73Å; L20-L154 HydrophobicContact CB-CD2 4.03Å; L20-L154 HydrophobicContact CD1-CD2 4.35Å; V33-L154 HydrophobicContact CG2-CD1 4.27Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 2.82Å; E151-L154 PolarHBondContact O-N 2.95Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 2.88Å; L154-K157 CarbonylContact O-C 3.55Å; L154-K157 WeakPolarHBondContact O-CA 3.34Å; L154-K157 PolarHBondContact O-N 3.4Å; L154-D158 PolarHBondContact O-N 3.26Å; L154-V159 HydrophobicContact CB-CB 4.04Å; L154-V159 HydrophobicContact CB-CG1 4.41Å; L154-V159 HydrophobicContact CB-CG2 4.47Å; L154-V159 HydrophobicContact CD2-CB 4.22Å; L154-V159 HydrophobicContact CD2-CG1 4.21Å; L154-V159 HydrophobicContact CD2-CG2 3.98Å; L154-V159 WeakPolarHBondContact O-CB 3.47Å; L154-V159 WeakPolarHBondContact O-CG2 3.36Å; L154-V159 PolarHBondContact O-N 3.03Å; L154-V159 VanDerWaalsContact O-N 3.08Å; L154-L161 HydrophobicContact CD1-CD2 4.37Å
155K98.3Very high98Very high122 Ų12266.1 Ų66.153%0.5333%0.325SS..Hα-helixtrans-60.6-39.4175.7-71.2172-173.3170.90112.2E151 K152 K157 D158 L161E151-K155 WeakPolarHBondContact O-CG 3.35Å; E151-K155 PolarHBondContact O-N 3.02Å; K152-K155 PolarHBondContact O-N 2.97Å; K155-K157 PolarHBondContact O-N 3.36Å; K155-K157 VanDerWaalsContact O-N 3.14Å; K155-D158 PolarHBondContact O-N 3.25Å; K155-L161 HydrophobicContact CG-CD1 4.4Å
156A98Very high98.1Very high84 Ų8465 Ų6569%0.69432%0.317SS*.THydrogen-bonded Turntrans-66.1-10.3174.800000114K152 R153 L154K152-A156 PolarHBondContact O-N 2.71Å; R153-A156 PolarHBondContact O-N 3.08Å; L154-A156 VanDerWaalsContact C-N 3.31Å; L154-A156 PolarHBondContact O-N 2.88Å
157K97.1Very high98Very high87 Ų8768.3 Ų68.338%0.37835%0.345SS..THydrogen-bonded Turntrans-109.620.4173.2-67.4178.4174.6-70.60112L20 A23 E24 R153 L154 K155 V159L20-K157 HydrophobicContact CD1-CD 3.91Å; A23-K157 HydrophobicContact CB-CB 4.48Å; A23-K157 HydrophobicContact CB-CD 3.95Å; E24-K157 HydrophobicContact CG-CD 4.26Å; E24-K157 VanDerWaalsContact CG-CE 3.43Å; R153-K157 PolarHBondContact O-N 3.25Å; L154-K157 CarbonylContact O-C 3.55Å; L154-K157 WeakPolarHBondContact O-CA 3.34Å; L154-K157 PolarHBondContact O-N 3.4Å; K155-K157 PolarHBondContact O-N 3.36Å; K155-K157 VanDerWaalsContact O-N 3.14Å; K157-V159 HydrophobicContact CB-CG2 4.26Å; K157-V159 PolarHBondContact O-N 3.45Å; K157-V159 VanDerWaalsContact O-N 3.09Å
158D96.9Very high97.8Very high137 Ų13771.4 Ų71.473%0.73336%0.361SS*.THydrogen-bonded Turntrans59.518.8179.5-56-56.7000114.9L154 K155 Q160L154-D158 PolarHBondContact O-N 3.26Å; K155-D158 PolarHBondContact O-N 3.25Å; D158-Q160 PolarHBondContact O-N 3.12Å; D158-Q160 PolarHBondContact O-NE2 2.98Å; D158-Q160 VanDerWaalsContact O-NE2 3.09Å
159V98.3Very high97.8Very high7 Ų766.9 Ų66.94%0.04234%0.338CS..  trans-73.7124.9176.5-179.20000109.5A23 L31 V33 L154 K157 L161A23-V159 HydrophobicContact CB-CG2 4.05Å; L31-V159 HydrophobicContact CB-CG1 4.32Å; L31-V159 HydrophobicContact CB-CG2 4.26Å; L31-V159 HydrophobicContact CD2-CG1 4.09Å; L31-V159 HydrophobicContact CD2-CG2 3.93Å; L31-V159 HydrophobicContact CG-CG1 4Å; L31-V159 HydrophobicContact CG-CG2 4.4Å; V33-V159 HydrophobicContact CG2-CG1 4.22Å; L154-V159 HydrophobicContact CB-CB 4.04Å; L154-V159 HydrophobicContact CB-CG1 4.41Å; L154-V159 HydrophobicContact CB-CG2 4.47Å; L154-V159 HydrophobicContact CD2-CB 4.22Å; L154-V159 HydrophobicContact CD2-CG1 4.21Å; L154-V159 HydrophobicContact CD2-CG2 3.98Å; L154-V159 WeakPolarHBondContact O-CB 3.47Å; L154-V159 WeakPolarHBondContact O-CG2 3.36Å; L154-V159 PolarHBondContact O-N 3.03Å; L154-V159 VanDerWaalsContact O-N 3.08Å; K157-V159 HydrophobicContact CB-CG2 4.26Å; K157-V159 PolarHBondContact O-N 3.45Å; K157-V159 VanDerWaalsContact O-N 3.09Å; V159-L161 HydrophobicContact CG1-CD2 4.49Å
160Q96.9Very high97.7Very high99 Ų9968.8 Ų68.846%0.46335%0.345SS..EExtended strand (participates in β ladder)trans-80.3136.6179.8-56.5-57.5-56.900110.9L31 A32 V33 D158 Y162L31-Q160 PolarHBondContact O-N 2.83Å; A32-Q160 CarbonylContact C-O 3.58Å; A32-Q160 VanDerWaalsContact CA-O 3.28Å; A32-Q160 WeakPolarHBondContact CA-O 3.45Å; A32-Q160 HydrophobicContact CB-CB 4.3Å; V33-Q160 PolarHBondContact N-O 3.08Å; D158-Q160 PolarHBondContact O-N 3.12Å; D158-Q160 PolarHBondContact O-NE2 2.98Å; D158-Q160 VanDerWaalsContact O-NE2 3.09Å; Q160-Y162 HydrophobicContact CB-CD2 4.26Å; Q160-Y162 HydrophobicContact CB-CE1 4.44Å; Q160-Y162 HydrophobicContact CB-CE2 3.51Å; Q160-Y162 HydrophobicContact CG-CE2 4.38Å
161L98.5Very high97.6Very high39 Ų3972 Ų7220%0.20436%0.36CS..EExtended strand (participates in β ladder)trans-112.5113175.6-52-176.1000109V33 F38 E151 L154 K155 V159V33-L161 HydrophobicContact CB-CD2 3.63Å; V33-L161 HydrophobicContact CG1-CD2 4.48Å; V33-L161 HydrophobicContact CG2-CD2 3.74Å; F38-L161 HydrophobicContact CE1-CB 4Å; F38-L161 HydrophobicContact CE1-CD1 4.26Å; F38-L161 HydrophobicContact CE1-CD2 4.49Å; F38-L161 HydrophobicContact CE1-CG 4.48Å; F38-L161 HydrophobicContact CZ-CB 4.07Å; E151-L161 HydrophobicContact CB-CD1 3.98Å; E151-L161 HydrophobicContact CG-CD1 3.88Å; L154-L161 HydrophobicContact CD1-CD2 4.37Å; K155-L161 HydrophobicContact CG-CD1 4.4Å; V159-L161 HydrophobicContact CG1-CD2 4.49Å
162Y98.3Very high97.5Very high107 Ų10771.1 Ų71.142%0.4236%0.356SS..EExtended strand (participates in β ladder)trans-108.7124.3-178.5-63.2-65.3000111.3A32 V33 V34 A35 Q160 R164A32-Y162 HydrophobicContact CB-CD2 3.95Å; A32-Y162 HydrophobicContact CB-CE2 3.82Å; V33-Y162 PolarHBondContact O-N 2.83Å; V34-Y162 WeakPolarHBondContact CA-O 3.49Å; V34-Y162 HydrophobicContact CG2-CD2 4.39Å; A35-Y162 PolarHBondContact N-O 3.24Å; Q160-Y162 HydrophobicContact CB-CD2 4.26Å; Q160-Y162 HydrophobicContact CB-CE1 4.44Å; Q160-Y162 HydrophobicContact CB-CE2 3.51Å; Q160-Y162 HydrophobicContact CG-CE2 4.38Å; Y162-R164 PolarHBondContact O-N 3.35Å
163T98.1Very high97.4Very high113 Ų11369 Ų6969%0.69335%0.347SS*.EExtended strand (participates in β ladder)trans-82.297169-56.30000109A35A35-T163 CarbonylContact O-C 3.59Å; A35-T163 VanDerWaalsContact O-CA 3.26Å; A35-T163 WeakPolarHBondContact O-CA 3.41Å
164R96.4Very high97.2Very high93 Ų9370.5 Ų70.535%0.35137%0.369SS..  trans-151.6132-178174.2178172.2-171.9-4.1110V34 A35 D36 Y162 E171 E175V34-R164 HydrophobicContact CG1-CB 3.86Å; V34-R164 HydrophobicContact CG1-CG 4.31Å; A35-R164 CarbonylContact C-O 3.5Å; A35-R164 PolarHBondContact O-N 3.42Å; D36-R164 PolarHBondContact N-O 3.04Å; Y162-R164 PolarHBondContact O-N 3.35Å; R164-E171 IonicContact NH2-OE2 3.68Å; R164-E175 IonicContact NH1-OE1 2.87Å; R164-E175 PolarHBondContact NH1-OE1 3.3Å
165K97.3Very high97Very high148 Ų14874.7 Ų74.764%0.64339%0.389SS*.  trans-75.9125.7169.1-173.2176.2-177.7-179.90109.4D36D36-K165 HydrophobicContact CB-CB 4.07Å; D36-K165 HydrophobicContact CB-CG 4.39Å
166V97.8Very high97Very high19 Ų1970 Ų7012%0.11537%0.368CS..  trans-101.5112.7171.8-178.30000106.7V9 V34 N168 L172 L190V9-V166 HydrophobicContact CG1-CB 4.45Å; V9-V166 HydrophobicContact CG1-CG2 4.44Å; V34-V166 HydrophobicContact CB-CG2 4.49Å; V34-V166 HydrophobicContact CG1-CG2 3.7Å; V166-N168 VanDerWaalsContact CG1-O 3.24Å; V166-N168 WeakPolarHBondContact CG1-O 3.39Å; V166-L172 HydrophobicContact CG1-CD1 4.29Å; V166-L172 HydrophobicContact CG1-CG 4.37Å; V166-L172 HydrophobicContact CG2-CD1 4.33Å; V166-L172 HydrophobicContact CG2-CD2 4.38Å; V166-L190 HydrophobicContact CG1-CD1 4.05Å; V166-L190 WeakPolarHBondContact O-CD1 3.47Å
167A96.1Very high96.9Very high70 Ų7069.5 Ų69.558%0.57935%0.354SS*.SBendtrans-85.3-28.6177.600000111.4E171A167-E171 WeakPolarHBondContact CA-OE1 3.17Å; A167-E171 VanDerWaalsContact CB-OE1 3.27Å; A167-E171 WeakPolarHBondContact CB-OE1 3.5Å; A167-E171 PolarHBondContact N-OE1 3.48Å
168N95.8Very high97Very high66 Ų6665.3 Ų65.335%0.35334%0.336SS..  trans-143.5139.4175-175.7-22.4000110.7V166 W170 E171V166-N168 VanDerWaalsContact CG1-O 3.24Å; V166-N168 WeakPolarHBondContact CG1-O 3.39Å; N168-W170 PolarHBondContact O-N 3.28Å; N168-W170 VanDerWaalsContact O-N 3.14Å; N168-W170 VanDerWaalsContact OD1-CD1 3.3Å; N168-W170 PolarHBondContact OD1-N 2.83Å; N168-E171 PolarHBondContact N-OE1 2.93Å; N168-E171 WeakPolarHBondContact O-CB 3.44Å; N168-E171 WeakPolarHBondContact O-CG 3.45Å; N168-E171 PolarHBondContact O-N 3.33Å
169L97.6Very high97.1Very high2 Ų258.8 Ų58.81%0.0130%0.301CS..G310 helixtrans-56.7-28.3176-59.7-175.2000113.3V9 E171 L172 V179 L190 V191 L291 L298 V300V9-L169 HydrophobicContact CG2-CD2 4.33Å; L169-E171 PolarHBondContact O-N 2.86Å; L169-L172 WeakPolarHBondContact O-CB 3.4Å; L169-L172 PolarHBondContact O-N 2.71Å; L169-L172 VanDerWaalsContact O-N 3.12Å; L169-V179 HydrophobicContact CD2-CG1 3.91Å; L169-L190 HydrophobicContact CD2-CD1 4.02Å; L169-L190 HydrophobicContact CD2-CD2 3.69Å; L169-L190 HydrophobicContact CD2-CG 3.88Å; L169-L190 HydrophobicContact CG-CD1 4.35Å; L169-L190 HydrophobicContact CG-CG 4.25Å; L169-V191 HydrophobicContact CD1-CG1 3.58Å; L169-V191 HydrophobicContact CG-CG1 4.06Å; L169-L291 HydrophobicContact CD1-CD1 4.21Å; L169-L298 HydrophobicContact CB-CD2 4.11Å; L169-V300 HydrophobicContact CD1-CG1 3.85Å; L169-V300 HydrophobicContact CD1-CG2 4.13Å
170W97.3Very high97.1Very high44 Ų4458.5 Ų58.517%0.16730%0.299CS..G310 helixtrans-64.7-19.8177.4-76.2100.6000114.2N168 L172 H173 L291 S292 Q293 A296 L298N168-W170 PolarHBondContact O-N 3.28Å; N168-W170 VanDerWaalsContact O-N 3.14Å; N168-W170 VanDerWaalsContact OD1-CD1 3.3Å; N168-W170 PolarHBondContact OD1-N 2.83Å; W170-L172 PolarHBondContact O-N 3.27Å; W170-L172 VanDerWaalsContact O-N 3.16Å; W170-H173 HydrophobicContact CE3-CB 3.87Å; W170-H173 AromaticContact CE3-CG 3.91Å; W170-H173 HydrophobicContact CZ3-CB 4.3Å; W170-H173 AromaticContact CZ3-CD2 3.63Å; W170-H173 AromaticContact CZ3-CG 3.86Å; W170-H173 WeakPolarHBondContact O-CB 3.45Å; W170-H173 PolarHBondContact O-N 2.96Å; W170-L291 HydrophobicContact CZ2-CB 3.69Å; W170-S292 VanDerWaalsContact CZ2-C 3.43Å; W170-Q293 HydrophobicContact CD2-CB 3.85Å; W170-Q293 HydrophobicContact CE3-CB 4.14Å; W170-Q293 VanDerWaalsContact CG-OE1 3.26Å; W170-Q293 HydrophobicContact CH2-CB 3.66Å; W170-Q293 VanDerWaalsContact CH2-N 3.28Å; W170-Q293 HydrophobicContact CZ2-CB 3.3Å; W170-Q293 HydrophobicContact CZ3-CB 4.06Å; W170-A296 WeakPolarHBondContact CH2-O 3.39Å; W170-A296 HydrophobicContact CZ3-CB 4.11Å; W170-L298 HydrophobicContact CD2-CD2 4.46Å; W170-L298 HydrophobicContact CE3-CB 4.37Å; W170-L298 HydrophobicContact CH2-CB 3.86Å; W170-L298 HydrophobicContact CZ2-CB 4.19Å; W170-L298 HydrophobicContact CZ3-CB 3.97Å
171E96.8Very high97.2Very high67 Ų6753.8 Ų53.831%0.31328%0.277SS..G310 helixtrans-61.1-21.6172.3-67175.1-136.200113R164 A167 N168 L169R164-E171 IonicContact NH2-OE2 3.68Å; A167-E171 WeakPolarHBondContact CA-OE1 3.17Å; A167-E171 VanDerWaalsContact CB-OE1 3.27Å; A167-E171 WeakPolarHBondContact CB-OE1 3.5Å; A167-E171 PolarHBondContact N-OE1 3.48Å; N168-E171 PolarHBondContact N-OE1 2.93Å; N168-E171 WeakPolarHBondContact O-CB 3.44Å; N168-E171 WeakPolarHBondContact O-CG 3.45Å; N168-E171 PolarHBondContact O-N 3.33Å; L169-E171 PolarHBondContact O-N 2.86Å
172L97.2Very high97.2Very high0 Ų052.2 Ų52.20%027%0.269CS..G310 helixtrans-95.7-9.9-177.4-58.7179.3000112.6A7 V9 V166 L169 W170 S174 E175 Y176 V179A7-L172 HydrophobicContact CB-CD1 4.11Å; V9-L172 HydrophobicContact CG2-CD1 3.6Å; V166-L172 HydrophobicContact CG1-CD1 4.29Å; V166-L172 HydrophobicContact CG1-CG 4.37Å; V166-L172 HydrophobicContact CG2-CD1 4.33Å; V166-L172 HydrophobicContact CG2-CD2 4.38Å; L169-L172 WeakPolarHBondContact O-CB 3.4Å; L169-L172 PolarHBondContact O-N 2.71Å; L169-L172 VanDerWaalsContact O-N 3.12Å; W170-L172 PolarHBondContact O-N 3.27Å; W170-L172 VanDerWaalsContact O-N 3.16Å; L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 2.89Å; L172-E175 PolarHBondContact O-N 2.98Å; L172-E175 VanDerWaalsContact O-N 3.1Å; L172-Y176 HydrophobicContact CB-CD2 3.96Å; L172-Y176 HydrophobicContact CD2-CD2 4.24Å; L172-Y176 HydrophobicContact CD2-CE2 4.11Å; L172-Y176 PolarHBondContact O-N 2.98Å; L172-V179 HydrophobicContact CB-CG2 3.86Å; L172-V179 HydrophobicContact CD1-CG1 4Å; L172-V179 HydrophobicContact CD1-CG2 4.07Å
173H95.8Very high97.2Very high69 Ų6948.4 Ų48.432%0.31926%0.26SS..THydrogen-bonded Turntrans-62.1-34-172.7172.2-91.3000113.3W170 E175 K297 L298W170-H173 HydrophobicContact CE3-CB 3.87Å; W170-H173 AromaticContact CE3-CG 3.91Å; W170-H173 HydrophobicContact CZ3-CB 4.3Å; W170-H173 AromaticContact CZ3-CD2 3.63Å; W170-H173 AromaticContact CZ3-CG 3.86Å; W170-H173 WeakPolarHBondContact O-CB 3.45Å; W170-H173 PolarHBondContact O-N 2.96Å; H173-E175 VanDerWaalsContact C-N 3.29Å; H173-E175 PolarHBondContact O-N 3.31Å; H173-K297 PolarHBondContact NE2-O 3.44Å; H173-L298 HydrophobicContact CB-CD1 4.23Å
174S93.5Very high97.2Very high107 Ų10744 Ų4475%0.74824%0.236SC*.THydrogen-bonded Turntrans-72.7-22.7178.450.10000113.5L172L172-S174 VanDerWaalsContact C-N 3.3Å; L172-S174 PolarHBondContact O-N 2.89Å
175E95.4Very high97.3Very high88 Ų8840.8 Ų40.841%0.41123%0.226SC..THydrogen-bonded Turntrans-104.6-31.4-172.2-62.1-177.6-11200112.2K5 R164 L172 H173K5-E175 WeakPolarHBondContact CD-O 3.02Å; R164-E175 IonicContact NH1-OE1 2.87Å; R164-E175 PolarHBondContact NH1-OE1 3.3Å; L172-E175 PolarHBondContact O-N 2.98Å; L172-E175 VanDerWaalsContact O-N 3.1Å; H173-E175 VanDerWaalsContact C-N 3.29Å; H173-E175 PolarHBondContact O-N 3.31Å
176Y97.3Very high97.4Very high23 Ų2335.4 Ų35.49%0.0921%0.213CC..  trans-128.8143.8-170.4-57.8-83.5000112.2K5 A7 A32 L172K5-Y176 HydrophobicContact CB-CD1 4.05Å; A7-Y176 HydrophobicContact CB-CD1 3.66Å; A7-Y176 HydrophobicContact CB-CD2 3.67Å; A7-Y176 HydrophobicContact CB-CE1 3.88Å; A7-Y176 HydrophobicContact CB-CE2 3.9Å; A7-Y176 HydrophobicContact CB-CG 3.54Å; A32-Y176 HydrophobicContact CB-CE1 3.96Å; A32-Y176 WeakPolarHBondContact CB-OH 3.42Å; L172-Y176 HydrophobicContact CB-CD2 3.96Å; L172-Y176 HydrophobicContact CD2-CD2 4.24Å; L172-Y176 HydrophobicContact CD2-CE2 4.11Å; L172-Y176 PolarHBondContact O-N 2.98Å
177N96.8Very high97.4Very high74 Ų7434.5 Ų34.540%0.39621%0.207SC..SBendtrans-84.4-30177.4-49.9121000112.2K5 L332K5-N177 PolarHBondContact N-OD1 3.3Å; K5-N177 PolarHBondContact O-N 3.49Å; N177-L332 HydrophobicContact CB-CD1 3.68Å
178I98.6Very high97.5Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-134134.8-177.9-56.8165.4000108.6K5 V6 A7 L299 V325 C328 I329 L332K5-I178 PolarHBondContact O-N 3.02Å; V6-I178 WeakPolarHBondContact CA-O 3.34Å; V6-I178 HydrophobicContact CG1-CB 4.43Å; V6-I178 HydrophobicContact CG1-CG2 4.48Å; V6-I178 HydrophobicContact CG2-CB 4.27Å; V6-I178 HydrophobicContact CG2-CD1 4.34Å; A7-I178 PolarHBondContact N-O 3.36Å; I178-L299 WeakPolarHBondContact CA-O 3.47Å; I178-L299 HydrophobicContact CG1-CB 4.21Å; I178-L299 HydrophobicContact CG1-CD1 4.23Å; I178-V325 HydrophobicContact CD1-CG1 4.31Å; I178-V325 HydrophobicContact CG2-CG2 4.45Å; I178-C328 HydrophobicContact CD1-CB 3.56Å; I178-C328 HydrophobicContact CG1-CB 3.96Å; I178-C328 HydrophobicContact CG2-CB 4.42Å; I178-I329 HydrophobicContact CD1-CG1 3.71Å; I178-L332 HydrophobicContact CD1-CD1 4.03Å; I178-L332 HydrophobicContact CG1-CD1 4.02Å
179V98.8Very high97.5Very high0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-115.9127.7173.7178.50000109.8A7 V9 L169 L172 L298 L299 V300 V301A7-V179 CarbonylContact O-C 3.48Å; A7-V179 WeakPolarHBondContact O-CA 3.25Å; V9-V179 HydrophobicContact CG2-CG1 3.86Å; L169-V179 HydrophobicContact CD2-CG1 3.91Å; L172-V179 HydrophobicContact CB-CG2 3.86Å; L172-V179 HydrophobicContact CD1-CG1 4Å; L172-V179 HydrophobicContact CD1-CG2 4.07Å; V179-L298 HydrophobicContact CG2-CD1 3.96Å; V179-L298 HydrophobicContact CG2-CD2 4.36Å; V179-L299 PolarHBondContact N-O 2.76Å; V179-V300 CarbonylContact O-C 3.45Å; V179-V300 WeakPolarHBondContact O-CA 3.41Å; V179-V301 PolarHBondContact O-N 3.37Å
180V98.9Very high97.5Very high0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-105.1109.3176.1-1700000108.2V6 A7 V8 V9 T18 I22 C182 V301 V325V6-V180 HydrophobicContact CG1-CG2 3.86Å; A7-V180 PolarHBondContact O-N 3.42Å; V8-V180 CarbonylContact C-O 3.57Å; V8-V180 WeakPolarHBondContact CA-O 3.06Å; V8-V180 HydrophobicContact CB-CB 4.46Å; V8-V180 HydrophobicContact CG2-CB 3.98Å; V8-V180 HydrophobicContact CG2-CG2 4.23Å; V9-V180 PolarHBondContact N-O 3.21Å; T18-V180 HydrophobicContact CG2-CG1 3.78Å; I22-V180 HydrophobicContact CD1-CG2 3.95Å; V180-C182 PolarHBondContact O-N 3.14Å; V180-V301 CarbonylContact C-O 3.29Å; V180-V301 VanDerWaalsContact CA-O 3.24Å; V180-V301 WeakPolarHBondContact CA-O 3.42Å; V180-V301 HydrophobicContact CG1-CB 4.3Å; V180-V301 HydrophobicContact CG1-CG1 4.43Å; V180-V301 HydrophobicContact CG2-CB 4.44Å; V180-V325 HydrophobicContact CG2-CG2 3.6Å
181N98.9Very high97.6Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-86.7100.8-177.8175.44.3000110.6A183 V191 V300 V301 H302 N303N181-A183 WeakPolarHBondContact OD1-CB 3.43Å; N181-A183 PolarHBondContact OD1-N 3.3Å; N181-A183 VanDerWaalsContact OD1-N 3.15Å; N181-V191 WeakPolarHBondContact ND2-CG1 3.3Å; N181-V300 HydrophobicContact CB-CG1 4.38Å; N181-V301 PolarHBondContact N-O 2.92Å; N181-H302 PolarHBondContact ND2-ND1 2.94Å; N181-N303 PolarHBondContact O-N 3.47Å
182C98.9Very high97.6Very high7 Ų737.1 Ų37.15%0.04722%0.222CC..  trans-112.927.1174.5-62.40000111.9V8 V9 V14 G15 V180 G184V8-C182 HydrophobicContact CG1-CB 4.27Å; V9-C182 CarbonylContact O-C 3.55Å; V9-C182 WeakPolarHBondContact O-CA 3.46Å; V9-C182 WeakPolarHBondContact O-CB 3.33Å; V9-C182 PolarHBondContact O-N 3Å; V14-C182 HydrophobicContact CG1-CB 4.49Å; G15-C182 VanDerWaalsContact CA-CB 3.48Å; V180-C182 PolarHBondContact O-N 3.14Å; C182-G184 PolarHBondContact O-N 2.85Å
183A98.6Very high97.6Very high26 Ų2637.7 Ų37.722%0.21523%0.225CC..  trans-69.75-169.600000115.1V9 N181 I185 G186 A187 L190V9-A183 HydrophobicContact CG1-CB 4.36Å; V9-A183 PolarHBondContact O-N 2.89Å; V9-A183 VanDerWaalsContact O-N 3.16Å; N181-A183 WeakPolarHBondContact OD1-CB 3.43Å; N181-A183 PolarHBondContact OD1-N 3.3Å; N181-A183 VanDerWaalsContact OD1-N 3.15Å; A183-I185 PolarHBondContact O-N 3.19Å; A183-G186 WeakPolarHBondContact O-CA 3.29Å; A183-G186 PolarHBondContact O-N 3Å; A183-A187 HydrophobicContact CB-CB 4.46Å; A183-L190 HydrophobicContact CB-CD2 3.76Å
184G98.4Very high97.7Very high20 Ų2041.2 Ų41.221%0.20624%0.241CC..G310 helixtrans57.2-124.8179.200000111.5C182 G186 A187 L196C182-G184 PolarHBondContact O-N 2.85Å; G184-G186 PolarHBondContact O-N 3.25Å; G184-A187 WeakPolarHBondContact O-CB 3.49Å; G184-A187 PolarHBondContact O-N 3.4Å; G184-L196 WeakPolarHBondContact O-CD2 3.36Å
185I98.3Very high97.8Very high27 Ų2743.1 Ų43.114%0.13824%0.236CC..G310 helixtrans-69.5-24.6179-171.260.9000111.9A183 A187 H188 L196 P198 W242 P279A183-I185 PolarHBondContact O-N 3.19Å; I185-A187 PolarHBondContact O-N 3.11Å; I185-H188 VanDerWaalsContact O-CB 3.29Å; I185-H188 WeakPolarHBondContact O-CB 3.38Å; I185-H188 PolarHBondContact O-N 3.43Å; I185-H188 VanDerWaalsContact O-N 3.11Å; I185-L196 HydrophobicContact CD1-CG 4.26Å; I185-P198 HydrophobicContact CD1-CB 4.04Å; I185-P198 HydrophobicContact CG1-CB 4.41Å; I185-W242 HydrophobicContact CD1-CH2 3.94Å; I185-W242 HydrophobicContact CD1-CZ3 4.13Å; I185-W242 HydrophobicContact CG1-CH2 3.97Å; I185-W242 HydrophobicContact CG1-CZ3 3.66Å; I185-P279 HydrophobicContact CB-CB 4.05Å
186G98.1Very high98Very high35 Ų3539 Ų3936%0.36122%0.217SC..G310 helixtrans-63-21.3176.600000113.5A183 G184 H188 Q189 L190A183-G186 WeakPolarHBondContact O-CA 3.29Å; A183-G186 PolarHBondContact O-N 3Å; G184-G186 PolarHBondContact O-N 3.25Å; G186-H188 PolarHBondContact O-N 2.95Å; G186-H188 VanDerWaalsContact O-N 3.13Å; G186-Q189 PolarHBondContact O-N 3.4Å; G186-Q189 VanDerWaalsContact O-N 3.14Å; G186-L190 WeakPolarHBondContact O-CB 3.25Å; G186-L190 PolarHBondContact O-N 3.36Å
187A98.3Very high98Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-60.1-22.3174.100000113.3A183 G184 I185 Q189 V191 L196 Y304A183-A187 HydrophobicContact CB-CB 4.46Å; G184-A187 WeakPolarHBondContact O-CB 3.49Å; G184-A187 PolarHBondContact O-N 3.4Å; I185-A187 PolarHBondContact O-N 3.11Å; A187-Q189 VanDerWaalsContact C-N 3.29Å; A187-Q189 PolarHBondContact O-N 3.39Å; A187-V191 HydrophobicContact CB-CG2 4.37Å; A187-V191 VanDerWaalsContact O-CG2 3.23Å; A187-V191 WeakPolarHBondContact O-CG2 3.47Å; A187-V191 PolarHBondContact O-N 3.23Å; A187-L196 HydrophobicContact CB-CD2 3.83Å; A187-Y304 HydrophobicContact CB-CD1 3.77Å; A187-Y304 HydrophobicContact CB-CD2 3.63Å; A187-Y304 HydrophobicContact CB-CE1 3.77Å; A187-Y304 HydrophobicContact CB-CE2 3.67Å; A187-Y304 HydrophobicContact CB-CG 3.68Å
188H97.7Very high98.1Very high38 Ų3837.1 Ų37.118%0.17621%0.206CC..Hα-helixtrans-57.4-44.3175.3178.889.7000111I185 G186 G192 D193 L196 W242I185-H188 VanDerWaalsContact O-CB 3.29Å; I185-H188 WeakPolarHBondContact O-CB 3.38Å; I185-H188 PolarHBondContact O-N 3.43Å; I185-H188 VanDerWaalsContact O-N 3.11Å; G186-H188 PolarHBondContact O-N 2.95Å; G186-H188 VanDerWaalsContact O-N 3.13Å; H188-G192 CarbonylContact O-C 3.56Å; H188-G192 WeakPolarHBondContact O-CA 3.44Å; H188-G192 PolarHBondContact O-N 3.43Å; H188-D193 PolarHBondContact O-N 3.25Å; H188-L196 HydrophobicContact CB-CD2 4.16Å; H188-L196 PolarHBondContact ND1-O 2.97Å; H188-W242 HydrophobicContact CB-CH2 4.06Å; H188-W242 AromaticContact CD2-CH2 3.87Å; H188-W242 AromaticContact CG-CH2 3.84Å
189Q97.1Very high98.1Very high158 Ų15837.7 Ų37.774%0.73821%0.209SC*.Hα-helixtrans-87.8-46.5177.1-66.2-178.6-9.400111.5G186 A187 V191 G192G186-Q189 PolarHBondContact O-N 3.4Å; G186-Q189 VanDerWaalsContact O-N 3.14Å; A187-Q189 VanDerWaalsContact C-N 3.29Å; A187-Q189 PolarHBondContact O-N 3.39Å; Q189-V191 VanDerWaalsContact C-N 3.27Å; Q189-V191 PolarHBondContact O-N 3.47Å; Q189-G192 PolarHBondContact O-N 3.01Å
190L97.9Very high98Very high21 Ų2138 Ų3811%0.1121%0.211CC..Hα-helixtrans-58.8-34.2-171.8179.561.6000113.9V9 V166 L169 A183 G186V9-L190 HydrophobicContact CG1-CD2 3.99Å; V166-L190 HydrophobicContact CG1-CD1 4.05Å; V166-L190 WeakPolarHBondContact O-CD1 3.47Å; L169-L190 HydrophobicContact CD2-CD1 4.02Å; L169-L190 HydrophobicContact CD2-CD2 3.69Å; L169-L190 HydrophobicContact CD2-CG 3.88Å; L169-L190 HydrophobicContact CG-CD1 4.35Å; L169-L190 HydrophobicContact CG-CG 4.25Å; A183-L190 HydrophobicContact CB-CD2 3.76Å; G186-L190 WeakPolarHBondContact O-CB 3.25Å; G186-L190 PolarHBondContact O-N 3.36Å
191V97.6Very high98Very high46 Ų4638.2 Ų38.228%0.27921%0.213SC..THydrogen-bonded Turntrans-129.512.5178.2-59.10000113.3L169 N181 A187 Q189 D193 Y304L169-V191 HydrophobicContact CD1-CG1 3.58Å; L169-V191 HydrophobicContact CG-CG1 4.06Å; N181-V191 WeakPolarHBondContact ND2-CG1 3.3Å; A187-V191 HydrophobicContact CB-CG2 4.37Å; A187-V191 VanDerWaalsContact O-CG2 3.23Å; A187-V191 WeakPolarHBondContact O-CG2 3.47Å; A187-V191 PolarHBondContact O-N 3.23Å; Q189-V191 VanDerWaalsContact C-N 3.27Å; Q189-V191 PolarHBondContact O-N 3.47Å; V191-D193 VanDerWaalsContact C-N 3.28Å; V191-D193 HydrophobicContact CG2-CB 4.33Å; V191-D193 PolarHBondContact O-N 2.95Å; V191-Y304 HydrophobicContact CG2-CE1 4.35Å; V191-Y304 WeakPolarHBondContact CG2-OH 3.4Å
192G97.2Very high98Very high41 Ų4138.2 Ų38.242%0.42321%0.213SC..  trans63.523.9176.300000115.4H188 Q189 Q194H188-G192 CarbonylContact O-C 3.56Å; H188-G192 WeakPolarHBondContact O-CA 3.44Å; H188-G192 PolarHBondContact O-N 3.43Å; Q189-G192 PolarHBondContact O-N 3.01Å; G192-Q194 PolarHBondContact O-N 3.35Å; G192-Q194 PolarHBondContact O-NE2 3.42Å
193D97.9Very high97.9Very high12 Ų1238.1 Ų38.16%0.06421%0.212CC..  trans-74.193.9-177.5-168.3-14.2000111.6H188 V191 K195 L196 R281 R285 Y304H188-D193 PolarHBondContact O-N 3.25Å; V191-D193 VanDerWaalsContact C-N 3.28Å; V191-D193 HydrophobicContact CG2-CB 4.33Å; V191-D193 PolarHBondContact O-N 2.95Å; D193-K195 PolarHBondContact O-N 3.13Å; D193-K195 VanDerWaalsContact OD1-CB 3.28Å; D193-K195 WeakPolarHBondContact OD1-CB 3.42Å; D193-K195 PolarHBondContact OD1-N 3.43Å; D193-L196 HydrophobicContact CB-CB 4.46Å; D193-L196 WeakPolarHBondContact O-CB 3.09Å; D193-L196 PolarHBondContact O-N 3.03Å; D193-L196 VanDerWaalsContact O-N 3.11Å; D193-R281 IonicContact OD1-NE 3.87Å; D193-R281 IonicContact OD2-CZ 3.51Å; D193-R281 IonicContact OD2-NE 3.86Å; D193-R281 PolarHBondContact OD2-NE 2.81Å; D193-R281 IonicContact OD2-NH2 2.63Å; D193-R285 IonicContact OD2-NH1 3.9Å; D193-R285 PolarHBondContact OD2-NH1 2.85Å; D193-R285 VanDerWaalsContact OD2-NH1 3.08Å; D193-Y304 HydrophobicContact CB-CE2 4.31Å; D193-Y304 WeakPolarHBondContact CB-OH 3.47Å; D193-Y304 PolarHBondContact OD2-OH 3.22Å; D193-Y304 VanDerWaalsContact OD2-OH 3.05Å
194Q96.9Very high97.9Very high142 Ų14237 Ų3766%0.66420%0.202SC*.THydrogen-bonded Turntrans-67-12.5178.7-59.1-55-51.900114G192 L196G192-Q194 PolarHBondContact O-N 3.35Å; G192-Q194 PolarHBondContact O-NE2 3.42Å; Q194-L196 PolarHBondContact O-N 3Å
195K97.2Very high97.9Very high147 Ų14737.3 Ų37.364%0.63920%0.198SC*.THydrogen-bonded Turntrans-78.4-11.8174.1-57.8178.4179.4177.90112.1D193 R281D193-K195 PolarHBondContact O-N 3.13Å; D193-K195 VanDerWaalsContact OD1-CB 3.28Å; D193-K195 WeakPolarHBondContact OD1-CB 3.42Å; D193-K195 PolarHBondContact OD1-N 3.43Å; K195-R281 HydrophobicContact CB-CG 4.23Å
196L98.3Very high97.9Very high1 Ų136 Ų361%0.00519%0.191CC..  trans-96.6124.5178.3-177.672.1000109.8G184 I185 A187 H188 D193 Q194 P279 T280 R281 Y304G184-L196 WeakPolarHBondContact O-CD2 3.36Å; I185-L196 HydrophobicContact CD1-CG 4.26Å; A187-L196 HydrophobicContact CB-CD2 3.83Å; H188-L196 HydrophobicContact CB-CD2 4.16Å; H188-L196 PolarHBondContact ND1-O 2.97Å; D193-L196 HydrophobicContact CB-CB 4.46Å; D193-L196 WeakPolarHBondContact O-CB 3.09Å; D193-L196 PolarHBondContact O-N 3.03Å; D193-L196 VanDerWaalsContact O-N 3.11Å; Q194-L196 PolarHBondContact O-N 3Å; L196-P279 HydrophobicContact CD1-CB 4.03Å; L196-T280 WeakPolarHBondContact CA-O 3.26Å; L196-R281 HydrophobicContact CD1-CB 4.04Å; L196-Y304 HydrophobicContact CD1-CD2 4.35Å; L196-Y304 HydrophobicContact CD2-CD2 3.89Å; L196-Y304 HydrophobicContact CD2-CE2 4.01Å
197F98.2Very high97.9Very high58 Ų5838.1 Ų38.125%0.25419%0.191SC..EExtended strand (participates in β ladder)trans-139.6156179.561.8-86.8000110.9V199 E240 T280F197-V199 HydrophobicContact CD2-CG2 4.23Å; F197-V199 HydrophobicContact CE2-CG2 3.77Å; F197-E240 HydrophobicContact CB-CG 4.48Å; F197-E240 HydrophobicContact CD2-CG 4.19Å; F197-T280 WeakPolarHBondContact CD1-O 3.37Å; F197-T280 HydrophobicContact CE1-CG2 4.14Å; F197-T280 HydrophobicContact CE2-CG2 3.85Å; F197-T280 HydrophobicContact CZ-CG2 3.55Å; F197-T280 PolarHBondContact N-O 2.91Å; F197-T280 WeakPolarHBondContact O-CA 3.29Å; F197-T280 WeakPolarHBondContact O-CB 3.43Å; F197-T280 PolarHBondContact O-N 2.85Å
198P98.3Very high97.9Very high1 Ų138.1 Ų38.11%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-77.614317933.3-37.1000110.7I185 E240 S241 W242 L277 R278I185-P198 HydrophobicContact CD1-CB 4.04Å; I185-P198 HydrophobicContact CG1-CB 4.41Å; P198-E240 WeakPolarHBondContact O-CA 3.34Å; P198-E240 PolarHBondContact O-N 3.05Å; P198-S241 WeakPolarHBondContact CB-O 3.37Å; P198-S241 WeakPolarHBondContact CG-O 3.37Å; P198-W242 HydrophobicContact CB-CD2 4.46Å; P198-W242 VanDerWaalsContact CD-CZ2 3.45Å; P198-W242 HydrophobicContact CG-CD2 3.63Å; P198-W242 VanDerWaalsContact CG-CE2 3.5Å; P198-W242 HydrophobicContact CG-CE3 4.13Å; P198-W242 HydrophobicContact CG-CG 3.94Å; P198-W242 HydrophobicContact CG-CH2 4.39Å; P198-W242 HydrophobicContact CG-CZ2 3.92Å; P198-W242 HydrophobicContact CG-CZ3 4.48Å; P198-L277 HydrophobicContact CB-CB 4.01Å; P198-L277 HydrophobicContact CB-CD1 4.34Å; P198-L277 HydrophobicContact CB-CD2 4.32Å; P198-L277 HydrophobicContact CB-CG 4.44Å; P198-R278 WeakPolarHBondContact CA-O 3.48Å
199V98.2Very high97.9Very high12 Ų1239.2 Ų39.27%0.07320%0.202CC..EExtended strand (participates in β ladder)trans-116.4102.1157.21760000107.3F197 R237 E238 K239 R278 T280F197-V199 HydrophobicContact CD2-CG2 4.23Å; F197-V199 HydrophobicContact CE2-CG2 3.77Å; V199-R237 HydrophobicContact CG1-CB 4.03Å; V199-E238 CarbonylContact C-O 3.17Å; V199-E238 WeakPolarHBondContact CA-O 3.35Å; V199-K239 HydrophobicContact CG2-CG 4.23Å; V199-R278 HydrophobicContact CB-CB 4.24Å; V199-R278 PolarHBondContact N-O 2.9Å; V199-R278 WeakPolarHBondContact O-CB 3.31Å; V199-R278 WeakPolarHBondContact O-CG 3.42Å; V199-R278 PolarHBondContact O-N 2.83Å; V199-R278 PolarHBondContact O-NH1 2.61Å; V199-T280 HydrophobicContact CG2-CG2 4.08Å; V199-T280 VanDerWaalsContact CG2-OG1 3.25Å; V199-T280 WeakPolarHBondContact CG2-OG1 3.49Å
200R98.1Very high97.9Very high6 Ų636.3 Ų36.32%0.02319%0.185CC..EExtended strand (participates in β ladder)trans-62.9137.4179.7174-176.6-176.4-82.7-4.8109.8E238 S241 S243 S245 V275 G276 L277 R278R200-E238 HydrophobicContact CB-CB 4.14Å; R200-E238 WeakPolarHBondContact CD-OE2 3.4Å; R200-E238 IonicContact CZ-OE1 2.83Å; R200-E238 IonicContact CZ-OE2 3.46Å; R200-E238 PolarHBondContact N-O 2.8Å; R200-E238 IonicContact NE-OE2 2.7Å; R200-E238 IonicContact NH1-OE1 3.31Å; R200-E238 PolarHBondContact NH1-OE1 2.99Å; R200-E238 IonicContact NH1-OE2 3.94Å; R200-E238 PolarHBondContact NH1-OE2 3.38Å; R200-E238 PolarHBondContact O-N 3.09Å; R200-S241 VanDerWaalsContact CD-OG 3.29Å; R200-S241 WeakPolarHBondContact CD-OG 3.36Å; R200-S243 WeakPolarHBondContact CD-O 3.1Å; R200-S243 PolarHBondContact NE-O 2.84Å; R200-S245 PolarHBondContact NH2-O 2.99Å; R200-V275 HydrophobicContact CG-CG1 3.82Å; R200-G276 WeakPolarHBondContact CA-O 3.43Å; R200-L277 HydrophobicContact CB-CD2 3.88Å; R200-L277 HydrophobicContact CG-CD2 4.25Å; R200-R278 PolarHBondContact O-NH1 3.08Å
201G97.9Very high98Very high4 Ų435.9 Ų35.94%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-134.8126.7173.300000110.3T236 V275 G276 R278G201-T236 WeakPolarHBondContact CA-O 3.39Å; G201-V275 WeakPolarHBondContact O-CA 3.38Å; G201-G276 PolarHBondContact N-O 2.68Å; G201-G276 PolarHBondContact O-N 3.32Å; G201-R278 VanDerWaalsContact CA-NH1 3.27Å
202Q98.1Very high98Very high1 Ų140.4 Ų40.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-101.1135.2169.3-173.4166.2-5300109.6G235 T236 D247 T250 T251 V273 K274 V275Q202-G235 WeakPolarHBondContact O-CA 3.36Å; Q202-T236 PolarHBondContact N-OG1 3.04Å; Q202-D247 PolarHBondContact NE2-O 3.1Å; Q202-T250 HydrophobicContact CB-CG2 3.9Å; Q202-T250 HydrophobicContact CG-CG2 4.14Å; Q202-T251 PolarHBondContact NE2-OG1 2.74Å; Q202-V273 HydrophobicContact CG-CG1 3.62Å; Q202-K274 WeakPolarHBondContact CA-O 3.45Å; Q202-V275 HydrophobicContact CB-CG2 4.3Å; Q202-V275 HydrophobicContact CG-CG2 4.05Å
203V97.9Very high98Very high5 Ų541.6 Ų41.63%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-133.2154177.7-60.70000110.3V46 Y223 T232 L233 K274V46-V203 HydrophobicContact CG1-CG2 4.15Å; V203-Y223 HydrophobicContact CG1-CE2 4.37Å; V203-Y223 WeakPolarHBondContact CG1-OH 3.45Å; V203-T232 HydrophobicContact CB-CG2 4.08Å; V203-T232 HydrophobicContact CG1-CG2 4.46Å; V203-T232 HydrophobicContact CG2-CG2 4.37Å; V203-L233 CarbonylContact C-O 3.57Å; V203-L233 WeakPolarHBondContact CA-O 3.43Å; V203-L233 WeakPolarHBondContact CB-O 3.33Å; V203-K274 HydrophobicContact CG2-CB 3.96Å; V203-K274 PolarHBondContact N-O 3.17Å; V203-K274 PolarHBondContact O-N 3.13Å
204L98.4Very high98.1Very high1 Ų141 Ų411%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-109.1134.8173.3-41.2178.3000108.6V206 T232 L233 T251 V254 F255 I271 R272 V273L204-V206 HydrophobicContact CB-CG1 4.27Å; L204-T232 CarbonylContact O-C 3.57Å; L204-T232 WeakPolarHBondContact O-CA 3.38Å; L204-L233 HydrophobicContact CB-CB 4.13Å; L204-L233 PolarHBondContact N-O 2.58Å; L204-L233 PolarHBondContact O-N 3.14Å; L204-T251 HydrophobicContact CD1-CG2 4.31Å; L204-T251 HydrophobicContact CD2-CG2 3.75Å; L204-V254 HydrophobicContact CD1-CB 4.39Å; L204-V254 HydrophobicContact CD1-CG1 4.03Å; L204-V254 HydrophobicContact CG-CG1 4.05Å; L204-F255 HydrophobicContact CD1-CB 3.8Å; L204-F255 HydrophobicContact CD1-CD2 4.19Å; L204-F255 HydrophobicContact CD1-CG 4.5Å; L204-I271 HydrophobicContact CB-CG2 4.29Å; L204-I271 HydrophobicContact CD1-CG2 4.39Å; L204-R272 CarbonylContact C-O 3.55Å; L204-R272 WeakPolarHBondContact CA-O 3.39Å; L204-V273 HydrophobicContact CD2-CB 4.4Å; L204-V273 HydrophobicContact CD2-CG1 4.15Å; L204-V273 HydrophobicContact CD2-CG2 3.88Å
205K97.8Very high98.2Very high28 Ų2834.5 Ų34.512%0.12216%0.162CC..EExtended strand (participates in β ladder)trans-104123.3166.9-61.7-72.9-176.6171.90106.7V231 T232 R272K205-V231 WeakPolarHBondContact CA-O 3.47Å; K205-T232 HydrophobicContact CD-CG2 4.13Å; K205-T232 WeakPolarHBondContact CD-OG1 3.23Å; K205-T232 WeakPolarHBondContact CE-OG1 3.49Å; K205-T232 PolarHBondContact NZ-OG1 3.03Å; K205-R272 HydrophobicContact CB-CB 4.36Å; K205-R272 PolarHBondContact N-O 2.9Å; K205-R272 PolarHBondContact O-N 3.28Å
206V98.4Very high98.2Very high0 Ų028.5 Ų28.50%014%0.135CC..EExtended strand (participates in β ladder)trans-128.7152.4-177.1-51.90000111L204 A208 S230 V231 L233 L265 A268 I271L204-V206 HydrophobicContact CB-CG1 4.27Å; V206-A208 HydrophobicContact CG2-CB 4.27Å; V206-S230 WeakPolarHBondContact O-CA 3.39Å; V206-S230 WeakPolarHBondContact O-CB 3.47Å; V206-V231 HydrophobicContact CG2-CB 3.93Å; V206-V231 PolarHBondContact N-O 2.99Å; V206-V231 PolarHBondContact O-N 3.41Å; V206-L233 HydrophobicContact CG1-CD1 3.79Å; V206-L233 HydrophobicContact CG1-CG 4.28Å; V206-L233 HydrophobicContact CG2-CD1 3.95Å; V206-L233 HydrophobicContact CG2-CD2 4.42Å; V206-L233 HydrophobicContact CG2-CG 4.04Å; V206-L265 HydrophobicContact CG2-CD2 4.32Å; V206-A268 HydrophobicContact CB-CB 4.02Å; V206-A268 HydrophobicContact CG2-CB 3.98Å; V206-I271 HydrophobicContact CG1-CB 4.31Å; V206-I271 HydrophobicContact CG1-CG1 3.92Å; V206-I271 HydrophobicContact CG1-CG2 4.18Å
207H98.4Very high98.1Very high78 Ų7829 Ų2936%0.36114%0.138SC..EExtended strand (participates in β ladder)trans-87.3107.4169.5-172.274.3000109.7P209 A268 Q269 D270H207-P209 WeakPolarHBondContact NE2-CD 3.44Å; H207-A268 WeakPolarHBondContact O-CA 3.46Å; H207-Q269 HydrophobicContact CB-CB 4.44Å; H207-Q269 PolarHBondContact N-O 3.35Å; H207-Q269 PolarHBondContact O-N 3.31Å; H207-Q269 VanDerWaalsContact O-N 3.09Å; H207-D270 HydrophobicContact CB-CB 4.28Å
208A98.3Very high97.7Very high1 Ų127.4 Ų27.41%0.00814%0.138CC..  trans-149.768.5177.800000110.2V206 W210 V211 V231 L265 A268V206-A208 HydrophobicContact CG2-CB 4.27Å; A208-W210 HydrophobicContact CB-CH2 4.33Å; A208-W210 HydrophobicContact CB-CZ2 3.87Å; A208-W210 PolarHBondContact O-N 3.23Å; A208-V211 HydrophobicContact CB-CG2 4.19Å; A208-V211 PolarHBondContact O-N 3.38Å; A208-V211 VanDerWaalsContact O-N 3.07Å; A208-V231 HydrophobicContact CB-CG2 3.94Å; A208-V231 WeakPolarHBondContact O-CG2 3.37Å; A208-L265 HydrophobicContact CB-CD2 3.91Å; A208-A268 HydrophobicContact CB-CB 4.08Å
209P97.6Very high97.3Very high61 Ų6131.2 Ų31.240%0.39616%0.158SC..THydrogen-bonded Turntrans-64.7-15.8-169.126.1-36.2000114.2H207 V211 K212H207-P209 WeakPolarHBondContact NE2-CD 3.44Å; P209-V211 VanDerWaalsContact C-N 3.32Å; P209-K212 WeakPolarHBondContact O-CE 3.29Å; P209-K212 PolarHBondContact O-NZ 3.31Å
210W98.3Very high96.7Very high97 Ų9730.7 Ų30.737%0.36716%0.155SC..THydrogen-bonded Turntrans-74.6-18.4175.654.685.4000113.5A208 K212 S264 R267A208-W210 HydrophobicContact CB-CH2 4.33Å; A208-W210 HydrophobicContact CB-CZ2 3.87Å; A208-W210 PolarHBondContact O-N 3.23Å; W210-K212 PolarHBondContact O-N 3.41Å; W210-S264 VanDerWaalsContact CD1-OG 3.28Å; W210-S264 WeakPolarHBondContact CZ2-O 3.33Å; W210-S264 PolarHBondContact NE1-O 3.35Å; W210-S264 PolarHBondContact NE1-OG 2.8Å; W210-R267 HydrophobicContact CH2-CB 4.05Å; W210-R267 HydrophobicContact CZ2-CB 3.96Å
211V98.4Very high96.3Very high11 Ų1133.3 Ų33.37%0.06717%0.17CC..  trans-79.6111.1175.2-178.30000108.6A208 P209 I224 P226 V231 E262 L265A208-V211 HydrophobicContact CB-CG2 4.19Å; A208-V211 PolarHBondContact O-N 3.38Å; A208-V211 VanDerWaalsContact O-N 3.07Å; P209-V211 VanDerWaalsContact C-N 3.32Å; V211-I224 HydrophobicContact CG1-CG2 3.91Å; V211-P226 HydrophobicContact CG1-CB 4.38Å; V211-P226 WeakPolarHBondContact O-CB 3.45Å; V211-V231 HydrophobicContact CB-CG2 4.08Å; V211-V231 HydrophobicContact CG1-CG1 4.48Å; V211-E262 HydrophobicContact CG2-CG 4.16Å; V211-L265 HydrophobicContact CG2-CD2 4.05Å
212K98Very high96.3Very high141 Ų14133.6 Ų33.661%0.61317%0.17SC*.  trans-112.2-20.2-176.8-60.2-52.2-167.1-170.50114.5P209 W210P209-K212 WeakPolarHBondContact O-CE 3.29Å; P209-K212 PolarHBondContact O-NZ 3.31Å; W210-K212 PolarHBondContact O-N 3.41Å
213N98.4Very high96.3Very high66 Ų6634.2 Ų34.235%0.35317%0.173SC..SBendtrans-106143.9-179.8-60-62.9000110.3S93 W95S93-N213 CarbonylContact O-C 3.53Å; S93-N213 WeakPolarHBondContact O-CA 3.4Å; W95-N213 HydrophobicContact CE3-CB 4.11Å; W95-N213 HydrophobicContact CH2-CB 3.86Å; W95-N213 HydrophobicContact CZ3-CB 3.41Å; W95-N213 VanDerWaalsContact CZ3-CB 3.41Å
214F98.7Very high96.4Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-77.7150.6170.576.6-97.9000111.5M50 I52 V92 S93 G94 W95 F136 T138 I224 Y225M50-F214 HydrophobicContact CE-CB 3.84Å; M50-F214 HydrophobicContact CE-CD1 3.55Å; M50-F214 HydrophobicContact CE-CD2 4.08Å; M50-F214 HydrophobicContact CE-CE1 4.12Å; M50-F214 HydrophobicContact CE-CG 3.55Å; I52-F214 HydrophobicContact CD1-CE2 4.49Å; V92-F214 HydrophobicContact CG1-CD1 4.14Å; V92-F214 HydrophobicContact CG2-CB 4.47Å; V92-F214 HydrophobicContact CG2-CD1 4.22Å; S93-F214 VanDerWaalsContact C-CE1 3.46Å; S93-F214 VanDerWaalsContact O-CD1 3.27Å; S93-F214 WeakPolarHBondContact O-CD1 3.32Å; S93-F214 PolarHBondContact O-N 3.45Å; G94-F214 CarbonylContact C-O 3.59Å; G94-F214 VanDerWaalsContact CA-CD1 3.49Å; G94-F214 VanDerWaalsContact CA-CE1 3.42Å; G94-F214 WeakPolarHBondContact CA-O 3.39Å; W95-F214 PolarHBondContact N-O 2.92Å; W95-F214 WeakPolarHBondContact O-CE2 3.1Å; F136-F214 HydrophobicContact CD1-CZ 4.12Å; F136-F214 HydrophobicContact CD2-CE1 4.35Å; F136-F214 AromaticContact CD2-CZ 3.9Å; F136-F214 HydrophobicContact CD2-CZ 3.9Å; F136-F214 HydrophobicContact CE1-CE2 4.1Å; F136-F214 AromaticContact CE1-CZ 3.71Å; F136-F214 HydrophobicContact CE1-CZ 3.71Å; F136-F214 HydrophobicContact CE2-CE1 4.11Å; F136-F214 HydrophobicContact CE2-CE2 4.28Å; F136-F214 AromaticContact CE2-CZ 3.47Å; F136-F214 HydrophobicContact CE2-CZ 3.47Å; F136-F214 VanDerWaalsContact CE2-CZ 3.47Å; F136-F214 HydrophobicContact CG-CZ 4.21Å; F136-F214 HydrophobicContact CZ-CE1 4.41Å; F136-F214 AromaticContact CZ-CE2 3.79Å; F136-F214 HydrophobicContact CZ-CE2 3.79Å; F136-F214 AromaticContact CZ-CZ 3.37Å; F136-F214 HydrophobicContact CZ-CZ 3.37Å; T138-F214 HydrophobicContact CG2-CE1 4.27Å; F214-I224 CarbonylContact C-O 3.03Å; F214-I224 VanDerWaalsContact CA-O 3.22Å; F214-I224 WeakPolarHBondContact CA-O 3.46Å; F214-Y225 HydrophobicContact CB-CD1 3.93Å; F214-Y225 HydrophobicContact CB-CE1 4.46Å
215V98.6Very high96.4Very high5 Ų534.4 Ų34.43%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-131.5131.2167.9-176.60000108W95 I97 F127 Y223 I224 L261W95-V215 HydrophobicContact CE3-CG2 4.21Å; W95-V215 CarbonylContact O-C 3.57Å; W95-V215 WeakPolarHBondContact O-CA 3.44Å; I97-V215 HydrophobicContact CD1-CG1 3.74Å; I97-V215 HydrophobicContact CG1-CG1 4.3Å; F127-V215 HydrophobicContact CE1-CG1 3.79Å; F127-V215 HydrophobicContact CE1-CG2 4.09Å; F127-V215 HydrophobicContact CZ-CG1 4.12Å; F127-V215 HydrophobicContact CZ-CG2 3.95Å; V215-Y223 CarbonylContact O-C 3.39Å; V215-Y223 VanDerWaalsContact O-CA 3.25Å; V215-Y223 WeakPolarHBondContact O-CA 3.49Å; V215-I224 HydrophobicContact CB-CB 4.43Å; V215-I224 HydrophobicContact CB-CD1 4.46Å; V215-I224 PolarHBondContact N-O 2.94Å; V215-I224 PolarHBondContact O-N 3.34Å; V215-L261 HydrophobicContact CG1-CD1 4.07Å
216R97.9Very high96.4Very high22 Ų2233.4 Ų33.48%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-133.6120.8176.4-177-175.5-177-76.6-3.3109.8W95 Q96 I97 Y225W95-R216 PolarHBondContact O-N 3.26Å; Q96-R216 CarbonylContact C-O 3.52Å; Q96-R216 VanDerWaalsContact CA-O 3.29Å; Q96-R216 WeakPolarHBondContact CA-O 3.25Å; Q96-R216 HydrophobicContact CG-CB 4.46Å; I97-R216 PolarHBondContact N-O 2.95Å; R216-Y225 HydrophobicContact CB-CE1 4.17Å; R216-Y225 VanDerWaalsContact CD-OH 3.27Å; R216-Y225 WeakPolarHBondContact CD-OH 3.47Å; R216-Y225 WeakPolarHBondContact CG-OH 3.18Å
217D96Very high96.3Very high12 Ų1234.2 Ų34.26%0.06418%0.178CC..EExtended strand (participates in β ladder)trans-70.8142.8169.2-155.7-43.9000109.9I97 H130 D219 G220 T222I97-D217 CarbonylContact O-C 3.54Å; H130-D217 IonicContact CD2-OD2 3.87Å; H130-D217 IonicContact CE1-OD2 3.92Å; H130-D217 IonicContact NE2-OD1 2.65Å; H130-D217 IonicContact NE2-OD2 3.71Å; H130-D217 PolarHBondContact NE2-OD2 2.92Å; D217-D219 PolarHBondContact O-N 2.9Å; D217-G220 WeakPolarHBondContact O-CA 3.28Å; D217-G220 PolarHBondContact O-N 3.48Å; D217-T222 PolarHBondContact N-O 3.23Å
218G90.6Very high95.9Very high24 Ų2434 Ų3425%0.24718%0.178CC..THydrogen-bonded Turntrans-57.6-32.6-173.800000113.3I97 G220I97-G218 PolarHBondContact O-N 2.69Å; G218-G220 PolarHBondContact O-N 3.35Å
219D88.5Confident95.5Very high80 Ų8040.7 Ų40.743%0.42821%0.209SC..THydrogen-bonded Turntrans-67.2-16.4175.368.212.6000113.5D217 L221D217-D219 PolarHBondContact O-N 2.9Å; D219-L221 HydrophobicContact CB-CG 4.37Å; D219-L221 PolarHBondContact O-N 2.81Å; D219-L221 WeakPolarHBondContact OD1-CB 3.47Å; D219-L221 PolarHBondContact OD1-N 2.81Å
220G86.4Confident95.4Very high2 Ų238.6 Ų38.62%0.02120%0.196CC..SBendtrans66.220.3-178.300000114.2D217 G218 R237D217-G220 WeakPolarHBondContact O-CA 3.28Å; D217-G220 PolarHBondContact O-N 3.48Å; G218-G220 PolarHBondContact O-N 3.35Å; G220-R237 PolarHBondContact O-NE 3.22Å
221L90.9Very high95.4Very high61 Ų6134.2 Ų34.232%0.31918%0.18SC..SBendtrans-94.9-23.6172.2-61.3179000112.2D219 G234 G235 R237 R257D219-L221 HydrophobicContact CB-CG 4.37Å; D219-L221 PolarHBondContact O-N 2.81Å; D219-L221 WeakPolarHBondContact OD1-CB 3.47Å; D219-L221 PolarHBondContact OD1-N 2.81Å; L221-G234 CarbonylContact O-C 3.52Å; L221-G235 PolarHBondContact O-N 3.44Å; L221-R237 HydrophobicContact CD2-CB 4.41Å; L221-R237 HydrophobicContact CD2-CG 4.22Å; L221-R257 PolarHBondContact O-NH2 2.74Å
222T97.6Very high95.4Very high9 Ų933.7 Ų33.76%0.05518%0.177CC..  trans-123.7125.8174.3-50.60000110.8D217 G234 R257 L261D217-T222 PolarHBondContact N-O 3.23Å; T222-G234 CarbonylContact C-O 3.07Å; T222-G234 VanDerWaalsContact CA-O 3.29Å; T222-G234 WeakPolarHBondContact CA-O 3.47Å; T222-R257 HydrophobicContact CG2-CB 3.95Å; T222-R257 PolarHBondContact OG1-NE 3.47Å; T222-L261 HydrophobicContact CG2-CD1 3.53Å; T222-L261 HydrophobicContact CG2-CG 4.36Å
223Y98.4Very high95.4Very high14 Ų1427 Ų276%0.05515%0.147CC..EExtended strand (participates in β ladder)trans-152.4146.6176.955.1-101.6000112.8A48 V203 V215 Y225 L233 G234A48-Y223 HydrophobicContact CB-CE2 4.06Å; V203-Y223 HydrophobicContact CG1-CE2 4.37Å; V203-Y223 WeakPolarHBondContact CG1-OH 3.45Å; V215-Y223 CarbonylContact O-C 3.39Å; V215-Y223 VanDerWaalsContact O-CA 3.25Å; V215-Y223 WeakPolarHBondContact O-CA 3.49Å; Y223-Y225 WeakPolarHBondContact CB-OH 3.27Å; Y223-Y225 HydrophobicContact CD1-CE2 4.24Å; Y223-Y225 AromaticContact CD2-CD2 3.32Å; Y223-Y225 HydrophobicContact CD2-CD2 3.32Å; Y223-Y225 HydrophobicContact CD2-CE1 4.42Å; Y223-Y225 AromaticContact CD2-CE2 3.16Å; Y223-Y225 HydrophobicContact CD2-CE2 3.16Å; Y223-Y225 HydrophobicContact CD2-CG 4.06Å; Y223-Y225 AromaticContact CD2-CZ 3.78Å; Y223-Y225 AromaticContact CE2-CD2 3.84Å; Y223-Y225 HydrophobicContact CE2-CD2 3.84Å; Y223-Y225 AromaticContact CE2-CE2 3.73Å; Y223-Y225 HydrophobicContact CE2-CE2 3.73Å; Y223-Y225 HydrophobicContact CG-CD2 4.05Å; Y223-Y225 HydrophobicContact CG-CE1 4.28Å; Y223-Y225 AromaticContact CG-CE2 3.46Å; Y223-Y225 HydrophobicContact CG-CE2 3.46Å; Y223-Y225 VanDerWaalsContact CG-CE2 3.46Å; Y223-Y225 AromaticContact CG-CZ 3.6Å; Y223-L233 WeakPolarHBondContact O-CA 3.28Å; Y223-G234 VanDerWaalsContact CZ-CA 3.46Å; Y223-G234 PolarHBondContact N-O 2.89Å; Y223-G234 PolarHBondContact O-N 3.26Å
224I98.8Very high95.3Very high1 Ų123.8 Ų23.81%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-129110.8179.9-57.3168.2000106.7V211 F214 V215 V231 L233 C258 L261 E262 L265V211-I224 HydrophobicContact CG1-CG2 3.91Å; F214-I224 CarbonylContact C-O 3.03Å; F214-I224 VanDerWaalsContact CA-O 3.22Å; F214-I224 WeakPolarHBondContact CA-O 3.46Å; V215-I224 HydrophobicContact CB-CB 4.43Å; V215-I224 HydrophobicContact CB-CD1 4.46Å; V215-I224 PolarHBondContact N-O 2.94Å; V215-I224 PolarHBondContact O-N 3.34Å; I224-V231 HydrophobicContact CG2-CG1 3.73Å; I224-L233 HydrophobicContact CB-CD2 4.33Å; I224-L233 HydrophobicContact CG1-CD2 4.1Å; I224-L233 HydrophobicContact CG2-CD2 3.91Å; I224-C258 HydrophobicContact CD1-CB 4.25Å; I224-C258 HydrophobicContact CG1-CB 4.03Å; I224-L261 HydrophobicContact CD1-CB 4.02Å; I224-E262 HydrophobicContact CD1-CB 3.61Å; I224-L265 HydrophobicContact CD1-CD1 3.83Å; I224-L265 HydrophobicContact CG1-CD1 4.2Å; I224-L265 HydrophobicContact CG2-CD1 4.33Å
225Y98.6Very high94.3Very high9 Ų923.9 Ų23.94%0.03513%0.132CC..EExtended strand (participates in β ladder)trans-122.9101.7-172.2-60.8-31.1000111A48 M50 F214 R216 Y223 G227 T232A48-Y225 HydrophobicContact CB-CD2 3.51Å; A48-Y225 HydrophobicContact CB-CE2 3.75Å; M50-Y225 HydrophobicContact CB-CD2 4.18Å; M50-Y225 HydrophobicContact CB-CE1 4.43Å; M50-Y225 HydrophobicContact CB-CE2 4.01Å; M50-Y225 HydrophobicContact CB-CG 4.44Å; M50-Y225 HydrophobicContact CE-CD1 4.2Å; M50-Y225 HydrophobicContact CE-CE1 4.31Å; M50-Y225 HydrophobicContact CG-CD1 3.38Å; M50-Y225 HydrophobicContact CG-CD2 3.3Å; M50-Y225 HydrophobicContact CG-CE1 3.64Å; M50-Y225 HydrophobicContact CG-CE2 3.55Å; M50-Y225 HydrophobicContact CG-CG 3.19Å; M50-Y225 HydrophobicContact SD-CD1 3.96Å; M50-Y225 HydrophobicContact SD-CE1 4.5Å; M50-Y225 HydrophobicContact SD-CG 4.02Å; F214-Y225 HydrophobicContact CB-CD1 3.93Å; F214-Y225 HydrophobicContact CB-CE1 4.46Å; R216-Y225 HydrophobicContact CB-CE1 4.17Å; R216-Y225 VanDerWaalsContact CD-OH 3.27Å; R216-Y225 WeakPolarHBondContact CD-OH 3.47Å; R216-Y225 WeakPolarHBondContact CG-OH 3.18Å; Y223-Y225 WeakPolarHBondContact CB-OH 3.27Å; Y223-Y225 HydrophobicContact CD1-CE2 4.24Å; Y223-Y225 AromaticContact CD2-CD2 3.32Å; Y223-Y225 HydrophobicContact CD2-CD2 3.32Å; Y223-Y225 HydrophobicContact CD2-CE1 4.42Å; Y223-Y225 AromaticContact CD2-CE2 3.16Å; Y223-Y225 HydrophobicContact CD2-CE2 3.16Å; Y223-Y225 HydrophobicContact CD2-CG 4.06Å; Y223-Y225 AromaticContact CD2-CZ 3.78Å; Y223-Y225 AromaticContact CE2-CD2 3.84Å; Y223-Y225 HydrophobicContact CE2-CD2 3.84Å; Y223-Y225 AromaticContact CE2-CE2 3.73Å; Y223-Y225 HydrophobicContact CE2-CE2 3.73Å; Y223-Y225 HydrophobicContact CG-CD2 4.05Å; Y223-Y225 HydrophobicContact CG-CE1 4.28Å; Y223-Y225 AromaticContact CG-CE2 3.46Å; Y223-Y225 HydrophobicContact CG-CE2 3.46Å; Y223-Y225 VanDerWaalsContact CG-CE2 3.46Å; Y223-Y225 AromaticContact CG-CZ 3.6Å; Y225-G227 PolarHBondContact O-N 3.19Å; Y225-T232 PolarHBondContact N-O 2.86Å; Y225-T232 PolarHBondContact O-N 3.07Å
226P98.3Very high94.2Very high7 Ų724.4 Ų24.45%0.04514%0.135CC..EExtended strand (participates in β ladder)trans-73.4120-17929.2-32.4000110.8V92 K140 V211 V231V92-P226 HydrophobicContact CG2-CG 3.82Å; K140-P226 WeakPolarHBondContact CD-O 3.33Å; V211-P226 HydrophobicContact CG1-CB 4.38Å; V211-P226 WeakPolarHBondContact O-CB 3.45Å; P226-V231 HydrophobicContact CB-CG2 4.38Å
227G95.5Very high94.1Very high17 Ų1727.6 Ų27.618%0.17515%0.147CC..  trans-99.7-173.2171.900000112.6K140 Y225 S230K140-G227 VanDerWaalsContact CE-CA 3.45Å; Y225-G227 PolarHBondContact O-N 3.19Å; G227-S230 VanDerWaalsContact CA-O 3.26Å; G227-S230 WeakPolarHBondContact CA-O 3.34Å; G227-S230 PolarHBondContact N-O 2.98Å
228I90.9Very high94.1Very high74 Ų7430 Ų3038%0.37916%0.158SC..SBendtrans-68.1-47.3-177.1-56.8177.5000110.1H90 D142H90-I228 WeakPolarHBondContact CD2-CG1 3.41Å; D142-I228 WeakPolarHBondContact OD2-CB 3.43Å; D142-I228 PolarHBondContact OD2-N 3.33Å; D142-I228 VanDerWaalsContact OD2-N 3.08Å
229H88.9Confident94.4Very high142 Ų14236.8 Ų36.866%0.65718%0.18SC*.SBendtrans-107.3-20.1-175.3-58.3-62000114.5
230S95.8Very high94.8Very high17 Ų1739.6 Ų39.612%0.11919%0.191CC..  trans-153.1154.4-177.461.60000111.8V206 G227V206-S230 WeakPolarHBondContact O-CA 3.39Å; V206-S230 WeakPolarHBondContact O-CB 3.47Å; G227-S230 VanDerWaalsContact CA-O 3.26Å; G227-S230 WeakPolarHBondContact CA-O 3.34Å; G227-S230 PolarHBondContact N-O 2.98Å
231V98.4Very high95.3Very high4 Ų441 Ų412%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-89.8132170.6-175.50000108.2K205 V206 A208 V211 I224 P226 L233K205-V231 WeakPolarHBondContact CA-O 3.47Å; V206-V231 HydrophobicContact CG2-CB 3.93Å; V206-V231 PolarHBondContact N-O 2.99Å; V206-V231 PolarHBondContact O-N 3.41Å; A208-V231 HydrophobicContact CB-CG2 3.94Å; A208-V231 WeakPolarHBondContact O-CG2 3.37Å; V211-V231 HydrophobicContact CB-CG2 4.08Å; V211-V231 HydrophobicContact CG1-CG1 4.48Å; I224-V231 HydrophobicContact CG2-CG1 3.73Å; P226-V231 HydrophobicContact CB-CG2 4.38Å; V231-L233 HydrophobicContact CG1-CD2 3.82Å
232T98.5Very high95.6Very high0 Ų043.8 Ų43.80%021%0.207CC..EExtended strand (participates in β ladder)trans-94.8118.5173.2-49.20000109.5A48 V203 L204 K205 Y225A48-T232 HydrophobicContact CB-CG2 4.33Å; V203-T232 HydrophobicContact CB-CG2 4.08Å; V203-T232 HydrophobicContact CG1-CG2 4.46Å; V203-T232 HydrophobicContact CG2-CG2 4.37Å; L204-T232 CarbonylContact O-C 3.57Å; L204-T232 WeakPolarHBondContact O-CA 3.38Å; K205-T232 HydrophobicContact CD-CG2 4.13Å; K205-T232 WeakPolarHBondContact CD-OG1 3.23Å; K205-T232 WeakPolarHBondContact CE-OG1 3.49Å; K205-T232 PolarHBondContact NZ-OG1 3.03Å; Y225-T232 PolarHBondContact N-O 2.86Å; Y225-T232 PolarHBondContact O-N 3.07Å
233L98.7Very high95.6Very high0 Ų045.9 Ų45.90%022%0.222CC..EExtended strand (participates in β ladder)trans-100.5136.1172.3-47.7-178000108.6V203 L204 V206 Y223 I224 V231 V254 F255 C258 L265V203-L233 CarbonylContact C-O 3.57Å; V203-L233 WeakPolarHBondContact CA-O 3.43Å; V203-L233 WeakPolarHBondContact CB-O 3.33Å; L204-L233 HydrophobicContact CB-CB 4.13Å; L204-L233 PolarHBondContact N-O 2.58Å; L204-L233 PolarHBondContact O-N 3.14Å; V206-L233 HydrophobicContact CG1-CD1 3.79Å; V206-L233 HydrophobicContact CG1-CG 4.28Å; V206-L233 HydrophobicContact CG2-CD1 3.95Å; V206-L233 HydrophobicContact CG2-CD2 4.42Å; V206-L233 HydrophobicContact CG2-CG 4.04Å; Y223-L233 WeakPolarHBondContact O-CA 3.28Å; I224-L233 HydrophobicContact CB-CD2 4.33Å; I224-L233 HydrophobicContact CG1-CD2 4.1Å; I224-L233 HydrophobicContact CG2-CD2 3.91Å; V231-L233 HydrophobicContact CG1-CD2 3.82Å; L233-V254 HydrophobicContact CB-CG1 4.39Å; L233-F255 HydrophobicContact CD1-CD2 3.9Å; L233-F255 HydrophobicContact CD1-CE2 4.25Å; L233-C258 HydrophobicContact CB-CB 4.36Å; L233-C258 HydrophobicContact CD1-CB 4.21Å; L233-C258 HydrophobicContact CD2-CB 4.18Å; L233-C258 HydrophobicContact CG-CB 4.49Å; L233-L265 HydrophobicContact CD1-CD1 4.27Å; L233-L265 HydrophobicContact CD2-CD1 3.68Å; L233-L265 HydrophobicContact CD2-CD2 4.11Å
234G95.6Very high95.5Very high0 Ų049.2 Ų49.20%024%0.24CC..EExtended strand (participates in β ladder)trans-160179172.300000112L221 T222 Y223L221-G234 CarbonylContact O-C 3.52Å; T222-G234 CarbonylContact C-O 3.07Å; T222-G234 VanDerWaalsContact CA-O 3.29Å; T222-G234 WeakPolarHBondContact CA-O 3.47Å; Y223-G234 VanDerWaalsContact CZ-CA 3.46Å; Y223-G234 PolarHBondContact N-O 2.89Å; Y223-G234 PolarHBondContact O-N 3.26Å
235G78.2Confident95.5Very high2 Ų253 Ų532%0.02127%0.266CS..  cis-162-162.2-4.100000112.9Q202 L221 R257Q202-G235 WeakPolarHBondContact O-CA 3.36Å; L221-G235 PolarHBondContact O-N 3.44Å; G235-R257 PolarHBondContact O-NH2 3.25Å
236T95.3Very high95.4Very high15 Ų1556 Ų569%0.09229%0.288CS..  trans-127.3160.8176.764.80000112.2G201 Q202 E238 T250 V254 R278G201-T236 WeakPolarHBondContact CA-O 3.39Å; Q202-T236 PolarHBondContact N-OG1 3.04Å; T236-E238 WeakPolarHBondContact CB-OE1 3.42Å; T236-E238 PolarHBondContact OG1-OE1 3.32Å; T236-T250 HydrophobicContact CG2-CG2 3.29Å; T236-V254 HydrophobicContact CG2-CG2 4.23Å; T236-R278 PolarHBondContact O-NH1 3.3Å; T236-R278 PolarHBondContact O-NH2 3.12Å
237R95.7Very high95.4Very high90 Ų9058.3 Ų58.334%0.3430%0.299SS..  trans-140.772.6179.6-65.8179.4179.5-94.2-7.4109.6H54 V199 G220 L221H54-R237 PolarHBondContact CE1-NH2 3.47Å; V199-R237 HydrophobicContact CG1-CB 4.03Å; G220-R237 PolarHBondContact O-NE 3.22Å; L221-R237 HydrophobicContact CD2-CB 4.41Å; L221-R237 HydrophobicContact CD2-CG 4.22Å
238E96.8Very high95.5Very high62 Ų6262.5 Ų62.529%0.2932%0.323SS..EExtended strand (participates in β ladder)trans-91107.4178.4-64.3146.4-104.800109.1V199 R200 T236V199-E238 CarbonylContact C-O 3.17Å; V199-E238 WeakPolarHBondContact CA-O 3.35Å; R200-E238 HydrophobicContact CB-CB 4.14Å; R200-E238 WeakPolarHBondContact CD-OE2 3.4Å; R200-E238 IonicContact CZ-OE1 2.83Å; R200-E238 IonicContact CZ-OE2 3.46Å; R200-E238 PolarHBondContact N-O 2.8Å; R200-E238 IonicContact NE-OE2 2.7Å; R200-E238 IonicContact NH1-OE1 3.31Å; R200-E238 PolarHBondContact NH1-OE1 2.99Å; R200-E238 IonicContact NH1-OE2 3.94Å; R200-E238 PolarHBondContact NH1-OE2 3.38Å; R200-E238 PolarHBondContact O-N 3.09Å; T236-E238 WeakPolarHBondContact CB-OE1 3.42Å; T236-E238 PolarHBondContact OG1-OE1 3.32Å
239K96.8Very high95.8Very high166 Ų16662.8 Ų62.872%0.72233%0.332SS*.EExtended strand (participates in β ladder)trans-68142.3179.4-63.9-177.9-180177.70110.4V199 S241V199-K239 HydrophobicContact CG2-CG 4.23Å; K239-S241 PolarHBondContact O-N 3.37Å
240E96.1Very high96.2Very high139 Ų13956.9 Ų56.965%0.6531%0.306SS*.THydrogen-bonded Turntrans62.56.4173.9-56.9-175.1166.200115.5F197 P198 W242F197-E240 HydrophobicContact CB-CG 4.48Å; F197-E240 HydrophobicContact CD2-CG 4.19Å; P198-E240 WeakPolarHBondContact O-CA 3.34Å; P198-E240 PolarHBondContact O-N 3.05Å; E240-W242 VanDerWaalsContact O-CD1 3.27Å
241S97.6Very high96.3Very high32 Ų3257.6 Ų57.622%0.22431%0.309CS..  trans-80.5123.2173.6-178.70000111P198 R200 K239 L277P198-S241 WeakPolarHBondContact CB-O 3.37Å; P198-S241 WeakPolarHBondContact CG-O 3.37Å; R200-S241 VanDerWaalsContact CD-OG 3.29Å; R200-S241 WeakPolarHBondContact CD-OG 3.36Å; K239-S241 PolarHBondContact O-N 3.37Å; S241-L277 WeakPolarHBondContact O-CD2 3.36Å
242W97.7Very high96.3Very high119 Ų11963.3 Ų63.345%0.45133%0.334SS..  trans-96.7-3.7176.3-66.688.6000113.3I185 H188 P198 E240 L244 L277I185-W242 HydrophobicContact CD1-CH2 3.94Å; I185-W242 HydrophobicContact CD1-CZ3 4.13Å; I185-W242 HydrophobicContact CG1-CH2 3.97Å; I185-W242 HydrophobicContact CG1-CZ3 3.66Å; H188-W242 HydrophobicContact CB-CH2 4.06Å; H188-W242 AromaticContact CD2-CH2 3.87Å; H188-W242 AromaticContact CG-CH2 3.84Å; P198-W242 HydrophobicContact CB-CD2 4.46Å; P198-W242 VanDerWaalsContact CD-CZ2 3.45Å; P198-W242 HydrophobicContact CG-CD2 3.63Å; P198-W242 VanDerWaalsContact CG-CE2 3.5Å; P198-W242 HydrophobicContact CG-CE3 4.13Å; P198-W242 HydrophobicContact CG-CG 3.94Å; P198-W242 HydrophobicContact CG-CH2 4.39Å; P198-W242 HydrophobicContact CG-CZ2 3.92Å; P198-W242 HydrophobicContact CG-CZ3 4.48Å; E240-W242 VanDerWaalsContact O-CD1 3.27Å; W242-L244 PolarHBondContact O-N 2.79Å; W242-L277 HydrophobicContact CE3-CD1 4.09Å
243S97.3Very high96.2Very high53 Ų5366.5 Ų66.537%0.37135%0.351SS..  trans-70.3126.7-176.9-178.10000111.6R200 S245R200-S243 WeakPolarHBondContact CD-O 3.1Å; R200-S243 PolarHBondContact NE-O 2.84Å; S243-S245 PolarHBondContact OG-N 2.79Å
244L96.9Very high96.2Very high84 Ų8466.6 Ų66.644%0.4435%0.352SS..  trans-94.2-3170.2-69.7175000112.8W242 V275 L277W242-L244 PolarHBondContact O-N 2.79Å; L244-V275 HydrophobicContact CD2-CG1 4.33Å; L244-V275 WeakPolarHBondContact O-CB 3.15Å; L244-L277 HydrophobicContact CD2-CD1 4.27Å; L244-L277 HydrophobicContact CD2-CD2 4.14Å; L244-L277 HydrophobicContact CD2-CG 3.79Å
245S97.6Very high96.4Very high80 Ų8068.6 Ų68.656%0.55936%0.36SS*.SBendtrans-70.4129.5178.2-59.50000110.2R200 S243R200-S245 PolarHBondContact NH2-O 2.99Å; S243-S245 PolarHBondContact OG-N 2.79Å
246P97.2Very high97.3Very high74 Ų7471.8 Ų71.848%0.48138%0.377SS..  trans-60.5144.2170.4-24.134.9000112.1V273 V275P246-V273 HydrophobicContact CB-CB 4.36Å; P246-V273 HydrophobicContact CB-CG1 3.82Å; P246-V273 HydrophobicContact CG-CG1 4.24Å; P246-V275 HydrophobicContact CB-CG2 4.33Å; P246-V275 HydrophobicContact CG-CG2 4.12Å
247D97.6Very high97.4Very high54 Ų5474.3 Ų74.329%0.28939%0.385SS..  trans-107.8117.8171.816717.9000109.5Q202 S249 T250 T251Q202-D247 PolarHBondContact NE2-O 3.1Å; D247-S249 VanDerWaalsContact C-N 3.28Å; D247-S249 PolarHBondContact O-N 3.34Å; D247-S249 WeakPolarHBondContact OD1-CB 3.34Å; D247-S249 PolarHBondContact OD1-N 3.32Å; D247-S249 PolarHBondContact OD1-OG 3.33Å; D247-S249 PolarHBondContact OD2-OG 2.91Å; D247-T250 WeakPolarHBondContact O-CB 3.28Å; D247-T250 PolarHBondContact O-N 3.37Å; D247-T250 WeakPolarHBondContact OD2-CB 3.36Å; D247-T250 PolarHBondContact OD2-N 3.32Å; D247-T250 PolarHBondContact OD2-OG1 3.12Å; D247-T251 PolarHBondContact O-N 3.36Å; D247-T251 PolarHBondContact O-OG1 2.96Å
248P97.6Very high97.6Very high105 Ų10570 Ų7068%0.68237%0.369SS*.Hα-helixtrans-58.9-34.5178.6-25.334.8000114.2T251 K252P248-T251 WeakPolarHBondContact O-CB 3.43Å; P248-T251 PolarHBondContact O-N 3.23Å; P248-K252 PolarHBondContact O-N 3.36Å
249S97.5Very high97.6Very high80 Ų8067.6 Ų67.656%0.55936%0.359SS*.Hα-helixtrans-68.2-44.4179.472.20000110.9D247 T251 K252 D253D247-S249 VanDerWaalsContact C-N 3.28Å; D247-S249 PolarHBondContact O-N 3.34Å; D247-S249 WeakPolarHBondContact OD1-CB 3.34Å; D247-S249 PolarHBondContact OD1-N 3.32Å; D247-S249 PolarHBondContact OD1-OG 3.33Å; D247-S249 PolarHBondContact OD2-OG 2.91Å; S249-T251 VanDerWaalsContact C-N 3.32Å; S249-T251 PolarHBondContact O-N 3.45Å; S249-K252 PolarHBondContact O-N 3.47Å; S249-D253 PolarHBondContact O-N 2.9Å
250T97.2Very high97.6Very high19 Ų1964.1 Ų64.112%0.11736%0.355CS..Hα-helixtrans-58.1-41.1169.8-68.10000112.3Q202 T236 D247 K252 D253 V254Q202-T250 HydrophobicContact CB-CG2 3.9Å; Q202-T250 HydrophobicContact CG-CG2 4.14Å; T236-T250 HydrophobicContact CG2-CG2 3.29Å; D247-T250 WeakPolarHBondContact O-CB 3.28Å; D247-T250 PolarHBondContact O-N 3.37Å; D247-T250 WeakPolarHBondContact OD2-CB 3.36Å; D247-T250 PolarHBondContact OD2-N 3.32Å; D247-T250 PolarHBondContact OD2-OG1 3.12Å; T250-K252 VanDerWaalsContact C-N 3.34Å; T250-K252 PolarHBondContact O-N 3.38Å; T250-D253 PolarHBondContact O-N 3.46Å; T250-V254 HydrophobicContact CG2-CG2 4.29Å; T250-V254 WeakPolarHBondContact O-CB 3.44Å; T250-V254 WeakPolarHBondContact O-CG2 3.26Å; T250-V254 PolarHBondContact O-N 3.36Å
251T97.8Very high97.7Very high31 Ų3158.7 Ų58.719%0.1933%0.33CS..Hα-helixtrans-59.3-47.2176.9-68.80000111Q202 L204 D247 P248 S249 F255 V273Q202-T251 PolarHBondContact NE2-OG1 2.74Å; L204-T251 HydrophobicContact CD1-CG2 4.31Å; L204-T251 HydrophobicContact CD2-CG2 3.75Å; D247-T251 PolarHBondContact O-N 3.36Å; D247-T251 PolarHBondContact O-OG1 2.96Å; P248-T251 WeakPolarHBondContact O-CB 3.43Å; P248-T251 PolarHBondContact O-N 3.23Å; S249-T251 VanDerWaalsContact C-N 3.32Å; S249-T251 PolarHBondContact O-N 3.45Å; T251-F255 WeakPolarHBondContact O-CB 3.34Å; T251-F255 PolarHBondContact O-N 2.78Å; T251-F255 VanDerWaalsContact O-N 3.09Å; T251-V273 HydrophobicContact CG2-CG2 4.15Å
252K97.9Very high97.7Very high125 Ų12560.1 Ų60.154%0.54333%0.333SS..Hα-helixtrans-62.5-49.3178.9-167.2-164-177.8-46.40111.3P248 S249 T250 V254 F255 D256P248-K252 PolarHBondContact O-N 3.36Å; S249-K252 PolarHBondContact O-N 3.47Å; T250-K252 VanDerWaalsContact C-N 3.34Å; T250-K252 PolarHBondContact O-N 3.38Å; K252-V254 PolarHBondContact O-N 2.97Å; K252-F255 PolarHBondContact O-N 3.07Å; K252-D256 VanDerWaalsContact NZ-CG 3.32Å; K252-D256 IonicContact NZ-OD1 2.61Å; K252-D256 PolarHBondContact NZ-OD1 3.26Å; K252-D256 IonicContact NZ-OD2 3.21Å; K252-D256 PolarHBondContact NZ-OD2 2.89Å; K252-D256 WeakPolarHBondContact O-CB 3.42Å; K252-D256 PolarHBondContact O-N 2.85Å
253D98.1Very high97.7Very high66 Ų6658.2 Ų58.235%0.35334%0.337SS..Hα-helixtrans-57.5-49.5179.617366.6000112.2S249 T250 F255 D256 R257S249-D253 PolarHBondContact O-N 2.9Å; T250-D253 PolarHBondContact O-N 3.46Å; D253-F255 VanDerWaalsContact C-N 3.32Å; D253-F255 PolarHBondContact O-N 2.79Å; D253-D256 PolarHBondContact O-N 3.06Å; D253-R257 WeakPolarHBondContact O-CG 3.46Å; D253-R257 PolarHBondContact O-N 3.21Å; D253-R257 IonicContact OD1-NH1 3.26Å; D253-R257 IonicContact OD2-CZ 2.81Å; D253-R257 IonicContact OD2-NE 3.71Å; D253-R257 IonicContact OD2-NH1 3.76Å; D253-R257 PolarHBondContact OD2-NH1 3.35Å; D253-R257 IonicContact OD2-NH2 2.58Å
254V98.3Very high97.7Very high2 Ų257 Ų571%0.01233%0.328CS..Hα-helixtrans-59-44.4177.5168.60000111.1L204 L233 T236 T250 K252 C258L204-V254 HydrophobicContact CD1-CB 4.39Å; L204-V254 HydrophobicContact CD1-CG1 4.03Å; L204-V254 HydrophobicContact CG-CG1 4.05Å; L233-V254 HydrophobicContact CB-CG1 4.39Å; T236-V254 HydrophobicContact CG2-CG2 4.23Å; T250-V254 HydrophobicContact CG2-CG2 4.29Å; T250-V254 WeakPolarHBondContact O-CB 3.44Å; T250-V254 WeakPolarHBondContact O-CG2 3.26Å; T250-V254 PolarHBondContact O-N 3.36Å; K252-V254 PolarHBondContact O-N 2.97Å; V254-C258 WeakPolarHBondContact O-CB 3.48Å; V254-C258 PolarHBondContact O-N 3.06Å; V254-C258 PolarHBondContact O-SG 2.78Å; V254-C258 VanDerWaalsContact O-SG 3.37Å
255F98.5Very high97.8Very high42 Ų4253 Ų5318%0.18431%0.307CS..Hα-helixtrans-64.8-45.1179.8-171.5-102.4000112.1L204 L233 T251 K252 D253 C258 C259 I271L204-F255 HydrophobicContact CD1-CB 3.8Å; L204-F255 HydrophobicContact CD1-CD2 4.19Å; L204-F255 HydrophobicContact CD1-CG 4.5Å; L233-F255 HydrophobicContact CD1-CD2 3.9Å; L233-F255 HydrophobicContact CD1-CE2 4.25Å; T251-F255 WeakPolarHBondContact O-CB 3.34Å; T251-F255 PolarHBondContact O-N 2.78Å; T251-F255 VanDerWaalsContact O-N 3.09Å; K252-F255 PolarHBondContact O-N 3.07Å; D253-F255 VanDerWaalsContact C-N 3.32Å; D253-F255 PolarHBondContact O-N 2.79Å; F255-C258 PolarHBondContact O-N 3.24Å; F255-C259 WeakPolarHBondContact CE1-SG 3.26Å; F255-C259 VanDerWaalsContact CZ-SG 3.59Å; F255-C259 WeakPolarHBondContact O-CB 3.45Å; F255-C259 PolarHBondContact O-N 3.2Å; F255-C259 PolarHBondContact O-SG 3.41Å; F255-I271 HydrophobicContact CD2-CD1 4.19Å; F255-I271 HydrophobicContact CE2-CD1 3.86Å; F255-I271 HydrophobicContact CZ-CD1 4.26Å
256D98.1Very high97.8Very high69 Ų6956.2 Ų56.237%0.36931%0.313SS..Hα-helixtrans-62.6-44.8179.7-68.7-17.1000111.7K252 D253 C259 S260K252-D256 VanDerWaalsContact NZ-CG 3.32Å; K252-D256 IonicContact NZ-OD1 2.61Å; K252-D256 PolarHBondContact NZ-OD1 3.26Å; K252-D256 IonicContact NZ-OD2 3.21Å; K252-D256 PolarHBondContact NZ-OD2 2.89Å; K252-D256 WeakPolarHBondContact O-CB 3.42Å; K252-D256 PolarHBondContact O-N 2.85Å; D253-D256 PolarHBondContact O-N 3.06Å; D256-C259 PolarHBondContact O-N 3Å; D256-S260 PolarHBondContact O-N 3.38Å; D256-S260 PolarHBondContact O-OG 3.42Å
257R97.8Very high97.8Very high68 Ų6860.3 Ų60.326%0.25732%0.319SS..Hα-helixtrans-63.7-42.1176.1-66.6-168.3-44.3-138.71.8111.9L221 T222 G235 D253 S260 L261L221-R257 PolarHBondContact O-NH2 2.74Å; T222-R257 HydrophobicContact CG2-CB 3.95Å; T222-R257 PolarHBondContact OG1-NE 3.47Å; G235-R257 PolarHBondContact O-NH2 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.46Å; D253-R257 PolarHBondContact O-N 3.21Å; D253-R257 IonicContact OD1-NH1 3.26Å; D253-R257 IonicContact OD2-CZ 2.81Å; D253-R257 IonicContact OD2-NE 3.71Å; D253-R257 IonicContact OD2-NH1 3.76Å; D253-R257 PolarHBondContact OD2-NH1 3.35Å; D253-R257 IonicContact OD2-NH2 2.58Å; R257-S260 WeakPolarHBondContact O-CB 3.22Å; R257-S260 PolarHBondContact O-N 3.38Å; R257-L261 PolarHBondContact O-N 2.78Å
258C98.4Very high97.8Very high0 Ų058.4 Ų58.40%031%0.311CS..Hα-helixtrans-65.3-42.1175.2-73.40000112I224 L233 V254 F255 S260 L261 E262 L265I224-C258 HydrophobicContact CD1-CB 4.25Å; I224-C258 HydrophobicContact CG1-CB 4.03Å; L233-C258 HydrophobicContact CB-CB 4.36Å; L233-C258 HydrophobicContact CD1-CB 4.21Å; L233-C258 HydrophobicContact CD2-CB 4.18Å; L233-C258 HydrophobicContact CG-CB 4.49Å; V254-C258 WeakPolarHBondContact O-CB 3.48Å; V254-C258 PolarHBondContact O-N 3.06Å; V254-C258 PolarHBondContact O-SG 2.78Å; V254-C258 VanDerWaalsContact O-SG 3.37Å; F255-C258 PolarHBondContact O-N 3.24Å; C258-S260 PolarHBondContact O-N 3.07Å; C258-L261 PolarHBondContact O-N 2.83Å; C258-L261 VanDerWaalsContact O-N 3.13Å; C258-E262 PolarHBondContact O-N 2.79Å; C258-L265 HydrophobicContact CB-CD1 3.91Å
259C98.1Very high97.8Very high12 Ų1259.3 Ų59.38%0.08131%0.306CS..Hα-helixtrans-64.7-28.9175.2-70.60000112.9F255 D256 L261 E262 P263 Q266F255-C259 WeakPolarHBondContact CE1-SG 3.26Å; F255-C259 VanDerWaalsContact CZ-SG 3.59Å; F255-C259 WeakPolarHBondContact O-CB 3.45Å; F255-C259 PolarHBondContact O-N 3.2Å; F255-C259 PolarHBondContact O-SG 3.41Å; D256-C259 PolarHBondContact O-N 3Å; C259-L261 VanDerWaalsContact C-N 3.3Å; C259-E262 CarbonylContact O-C 3.26Å; C259-E262 VanDerWaalsContact O-C 3.29Å; C259-P263 WeakPolarHBondContact O-CA 3.25Å; C259-P263 VanDerWaalsContact O-N 3.15Å; C259-Q266 HydrophobicContact CB-CG 4.33Å
260S96.8Very high97.7Very high93 Ų9360.7 Ų60.765%0.6531%0.307SS*.Hα-helixtrans-67.5-31.3174.3-59.40000112.2D256 R257 C258D256-S260 PolarHBondContact O-N 3.38Å; D256-S260 PolarHBondContact O-OG 3.42Å; R257-S260 WeakPolarHBondContact O-CB 3.22Å; R257-S260 PolarHBondContact O-N 3.38Å; C258-S260 PolarHBondContact O-N 3.07Å
261L96.9Very high97.7Very high24 Ų2463.5 Ų63.513%0.12632%0.321CS..Hα-helixtrans-85.7-34175.4-65.6-177.3000113.2I97 V215 T222 I224 R257 C258 C259I97-L261 HydrophobicContact CD1-CD1 4.33Å; I97-L261 HydrophobicContact CD1-CD2 3.85Å; V215-L261 HydrophobicContact CG1-CD1 4.07Å; T222-L261 HydrophobicContact CG2-CD1 3.53Å; T222-L261 HydrophobicContact CG2-CG 4.36Å; I224-L261 HydrophobicContact CD1-CB 4.02Å; R257-L261 PolarHBondContact O-N 2.78Å; C258-L261 PolarHBondContact O-N 2.83Å; C258-L261 VanDerWaalsContact O-N 3.13Å; C259-L261 VanDerWaalsContact C-N 3.3Å
262E97.7Very high97.6Very high62 Ų6268.9 Ų68.929%0.2934%0.338SS..  trans-135.487.4179.3179.351-114.600109.4V211 I224 C258 C259 S264 L265V211-E262 HydrophobicContact CG2-CG 4.16Å; I224-E262 HydrophobicContact CD1-CB 3.61Å; C258-E262 PolarHBondContact O-N 2.79Å; C259-E262 CarbonylContact O-C 3.26Å; C259-E262 VanDerWaalsContact O-C 3.29Å; E262-S264 PolarHBondContact O-N 2.96Å; E262-S264 WeakPolarHBondContact OE1-CB 2.96Å; E262-S264 PolarHBondContact OE1-N 3.21Å; E262-S264 PolarHBondContact OE1-OG 2.92Å; E262-L265 HydrophobicContact CB-CD1 3.95Å; E262-L265 HydrophobicContact CB-CG 4.15Å; E262-L265 HydrophobicContact CG-CD1 4.26Å; E262-L265 HydrophobicContact CG-CG 3.94Å; E262-L265 VanDerWaalsContact O-CB 3.32Å; E262-L265 WeakPolarHBondContact O-CB 3.42Å; E262-L265 PolarHBondContact O-N 2.82Å
263P97.7Very high97.6Very high80 Ų8065.1 Ų65.152%0.51933%0.325SS..G310 helixtrans-57.3-25.8-175.3-29.136.8000114.3C259 L265 Q266C259-P263 WeakPolarHBondContact O-CA 3.25Å; C259-P263 VanDerWaalsContact O-N 3.15Å; P263-L265 PolarHBondContact O-N 3.28Å; P263-L265 VanDerWaalsContact O-N 3.12Å; P263-Q266 WeakPolarHBondContact O-CG 3.16Å; P263-Q266 PolarHBondContact O-N 2.86Å; P263-Q266 VanDerWaalsContact O-N 3.17Å
264S98.1Very high97.6Very high27 Ų2766.9 Ų66.919%0.18933%0.329CS..G310 helixtrans-64-16.8178.376.50000113.7W210 E262 Q266 R267W210-S264 VanDerWaalsContact CD1-OG 3.28Å; W210-S264 WeakPolarHBondContact CZ2-O 3.33Å; W210-S264 PolarHBondContact NE1-O 3.35Å; W210-S264 PolarHBondContact NE1-OG 2.8Å; E262-S264 PolarHBondContact O-N 2.96Å; E262-S264 WeakPolarHBondContact OE1-CB 2.96Å; E262-S264 PolarHBondContact OE1-N 3.21Å; E262-S264 PolarHBondContact OE1-OG 2.92Å; S264-Q266 PolarHBondContact O-N 2.91Å; S264-R267 PolarHBondContact O-N 2.83Å
265L98.4Very high97.6Very high0 Ų067.5 Ų67.50%033%0.333CS..G310 helixtrans-65.6-16.5174.8-74.4173.5000113.7V206 A208 V211 I224 L233 C258 E262 P263 R267 A268V206-L265 HydrophobicContact CG2-CD2 4.32Å; A208-L265 HydrophobicContact CB-CD2 3.91Å; V211-L265 HydrophobicContact CG2-CD2 4.05Å; I224-L265 HydrophobicContact CD1-CD1 3.83Å; I224-L265 HydrophobicContact CG1-CD1 4.2Å; I224-L265 HydrophobicContact CG2-CD1 4.33Å; L233-L265 HydrophobicContact CD1-CD1 4.27Å; L233-L265 HydrophobicContact CD2-CD1 3.68Å; L233-L265 HydrophobicContact CD2-CD2 4.11Å; C258-L265 HydrophobicContact CB-CD1 3.91Å; E262-L265 HydrophobicContact CB-CD1 3.95Å; E262-L265 HydrophobicContact CB-CG 4.15Å; E262-L265 HydrophobicContact CG-CD1 4.26Å; E262-L265 HydrophobicContact CG-CG 3.94Å; E262-L265 VanDerWaalsContact O-CB 3.32Å; E262-L265 WeakPolarHBondContact O-CB 3.42Å; E262-L265 PolarHBondContact O-N 2.82Å; P263-L265 PolarHBondContact O-N 3.28Å; P263-L265 VanDerWaalsContact O-N 3.12Å; L265-R267 PolarHBondContact O-N 2.93Å; L265-R267 VanDerWaalsContact O-N 3.08Å; L265-A268 HydrophobicContact CD2-CB 4.45Å; L265-A268 WeakPolarHBondContact O-CB 3.41Å; L265-A268 PolarHBondContact O-N 2.81Å
266Q97.9Very high97.5Very high148 Ų14865.9 Ų65.969%0.69233%0.328SS*.G310 helixtrans-58.3-22.9173.4-69.4-177.5-200112.8C259 P263 S264C259-Q266 HydrophobicContact CB-CG 4.33Å; P263-Q266 WeakPolarHBondContact O-CG 3.16Å; P263-Q266 PolarHBondContact O-N 2.86Å; P263-Q266 VanDerWaalsContact O-N 3.17Å; S264-Q266 PolarHBondContact O-N 2.91Å
267R97.8Very high97.5Very high159 Ų15963.2 Ų63.260%0.631%0.314SS*.G310 helixtrans-91.81.3176.7-57.6-179.6-60.9154.53.9113.5W210 S264 L265W210-R267 HydrophobicContact CH2-CB 4.05Å; W210-R267 HydrophobicContact CZ2-CB 3.96Å; S264-R267 PolarHBondContact O-N 2.83Å; L265-R267 PolarHBondContact O-N 2.93Å; L265-R267 VanDerWaalsContact O-N 3.08Å
268A97.8Very high97.5Very high14 Ų1461.6 Ų61.612%0.11631%0.308CS..  trans-65.7145.8-177.200000111.3V206 H207 A208 L265V206-A268 HydrophobicContact CB-CB 4.02Å; V206-A268 HydrophobicContact CG2-CB 3.98Å; H207-A268 WeakPolarHBondContact O-CA 3.46Å; A208-A268 HydrophobicContact CB-CB 4.08Å; L265-A268 HydrophobicContact CD2-CB 4.45Å; L265-A268 WeakPolarHBondContact O-CB 3.41Å; L265-A268 PolarHBondContact O-N 2.81Å
269Q96.6Very high97.5Very high124 Ų12462.3 Ų62.358%0.57931%0.313SS*.EExtended strand (participates in β ladder)trans-117.2176-178.5-64.5178.1-9.800110.8H207 I271H207-Q269 HydrophobicContact CB-CB 4.44Å; H207-Q269 PolarHBondContact N-O 3.35Å; H207-Q269 PolarHBondContact O-N 3.31Å; H207-Q269 VanDerWaalsContact O-N 3.09Å; Q269-I271 PolarHBondContact O-N 3.36Å
270D96.1Very high97.5Very high110 Ų11063.2 Ų63.259%0.58832%0.317SS*.EExtended strand (participates in β ladder)trans51.647.7172.9-57.7-27.4000114.7H207 R272H207-D270 HydrophobicContact CB-CB 4.28Å; D270-R272 PolarHBondContact O-N 2.85Å
271I96.4Very high97.6Very high78 Ų7860.3 Ų60.340%0.429%0.292SS..EExtended strand (participates in β ladder)trans-67.8108-179.8-52.2-179000109.6L204 V206 F255 Q269L204-I271 HydrophobicContact CB-CG2 4.29Å; L204-I271 HydrophobicContact CD1-CG2 4.39Å; V206-I271 HydrophobicContact CG1-CB 4.31Å; V206-I271 HydrophobicContact CG1-CG1 3.92Å; V206-I271 HydrophobicContact CG1-CG2 4.18Å; F255-I271 HydrophobicContact CD2-CD1 4.19Å; F255-I271 HydrophobicContact CE2-CD1 3.86Å; F255-I271 HydrophobicContact CZ-CD1 4.26Å; Q269-I271 PolarHBondContact O-N 3.36Å
272R97Very high97.5Very high143 Ų14362.1 Ų62.154%0.5431%0.31SS..EExtended strand (participates in β ladder)trans-111.1129.9176.6-66.6173.9-69-179.5-0.9110L204 K205 D270L204-R272 CarbonylContact C-O 3.55Å; L204-R272 WeakPolarHBondContact CA-O 3.39Å; K205-R272 HydrophobicContact CB-CB 4.36Å; K205-R272 PolarHBondContact N-O 2.9Å; K205-R272 PolarHBondContact O-N 3.28Å; D270-R272 PolarHBondContact O-N 2.85Å
273V97.7Very high97.4Very high46 Ų4661.2 Ų61.228%0.27931%0.311SS..EExtended strand (participates in β ladder)trans-95.3135.3-179.9-167.90000110.3Q202 L204 P246 T251Q202-V273 HydrophobicContact CG-CG1 3.62Å; L204-V273 HydrophobicContact CD2-CB 4.4Å; L204-V273 HydrophobicContact CD2-CG1 4.15Å; L204-V273 HydrophobicContact CD2-CG2 3.88Å; P246-V273 HydrophobicContact CB-CB 4.36Å; P246-V273 HydrophobicContact CB-CG1 3.82Å; P246-V273 HydrophobicContact CG-CG1 4.24Å; T251-V273 HydrophobicContact CG2-CG2 4.15Å
274K97Very high97.4Very high103 Ų10358.2 Ų58.245%0.44829%0.291SS..EExtended strand (participates in β ladder)trans-130.9144.9172.6-67.6-72.4-172.21700109.9V46 Q202 V203V46-K274 HydrophobicContact CG1-CB 3.78Å; V46-K274 HydrophobicContact CG2-CB 4.36Å; Q202-K274 WeakPolarHBondContact CA-O 3.45Å; V203-K274 HydrophobicContact CG2-CB 3.96Å; V203-K274 PolarHBondContact N-O 3.17Å; V203-K274 PolarHBondContact O-N 3.13Å
275V97.9Very high97.4Very high16 Ų1658.5 Ų58.510%0.09729%0.288CS..EExtended strand (participates in β ladder)trans-127.7134.5179-176.60000108.8R200 G201 Q202 L244 P246R200-V275 HydrophobicContact CG-CG1 3.82Å; G201-V275 WeakPolarHBondContact O-CA 3.38Å; Q202-V275 HydrophobicContact CB-CG2 4.3Å; Q202-V275 HydrophobicContact CG-CG2 4.05Å; L244-V275 HydrophobicContact CD2-CG1 4.33Å; L244-V275 WeakPolarHBondContact O-CB 3.15Å; P246-V275 HydrophobicContact CB-CG2 4.33Å; P246-V275 HydrophobicContact CG-CG2 4.12Å
276G97.4Very high97.4Very high7 Ų759.8 Ų59.87%0.07230%0.295CS..EExtended strand (participates in β ladder)trans-140.6152.4179.600000112R200 G201R200-G276 WeakPolarHBondContact CA-O 3.43Å; G201-G276 PolarHBondContact N-O 2.68Å; G201-G276 PolarHBondContact O-N 3.32Å
277L98.4Very high97.4Very high13 Ų1356.9 Ų56.97%0.06828%0.281CS..EExtended strand (participates in β ladder)trans-105.5106.9-179.4-55.1-176.3000109.7T43 P198 R200 S241 W242 L244 P279T43-L277 VanDerWaalsContact CG2-O 3.3Å; T43-L277 WeakPolarHBondContact CG2-O 3.1Å; P198-L277 HydrophobicContact CB-CB 4.01Å; P198-L277 HydrophobicContact CB-CD1 4.34Å; P198-L277 HydrophobicContact CB-CD2 4.32Å; P198-L277 HydrophobicContact CB-CG 4.44Å; R200-L277 HydrophobicContact CB-CD2 3.88Å; R200-L277 HydrophobicContact CG-CD2 4.25Å; S241-L277 WeakPolarHBondContact O-CD2 3.36Å; W242-L277 HydrophobicContact CE3-CD1 4.09Å; L244-L277 HydrophobicContact CD2-CD1 4.27Å; L244-L277 HydrophobicContact CD2-CD2 4.14Å; L244-L277 HydrophobicContact CD2-CG 3.79Å; L277-P279 WeakPolarHBondContact O-CD 3.47Å
278R98.1Very high97.4Very high35 Ų3554.7 Ų54.713%0.13228%0.276CS..EExtended strand (participates in β ladder)trans-70123.6177.9-59.9178.4-172.192.7-7.4109.3P198 V199 R200 G201 T236 T280P198-R278 WeakPolarHBondContact CA-O 3.48Å; V199-R278 HydrophobicContact CB-CB 4.24Å; V199-R278 PolarHBondContact N-O 2.9Å; V199-R278 WeakPolarHBondContact O-CB 3.31Å; V199-R278 WeakPolarHBondContact O-CG 3.42Å; V199-R278 PolarHBondContact O-N 2.83Å; V199-R278 PolarHBondContact O-NH1 2.61Å; R200-R278 PolarHBondContact O-NH1 3.08Å; G201-R278 VanDerWaalsContact CA-NH1 3.27Å; T236-R278 PolarHBondContact O-NH1 3.3Å; T236-R278 PolarHBondContact O-NH2 3.12Å; R278-T280 VanDerWaalsContact C-N 3.35Å; R278-T280 PolarHBondContact O-N 2.97Å; R278-T280 PolarHBondContact O-OG1 2.8Å
279P98.2Very high97.4Very high15 Ų1557 Ų5710%0.09728%0.284CS..EExtended strand (participates in β ladder)trans-75.782.7-177.531.3-35.7000110.8I185 L196 L277 G305 H306 G307I185-P279 HydrophobicContact CB-CB 4.05Å; L196-P279 HydrophobicContact CD1-CB 4.03Å; L277-P279 WeakPolarHBondContact O-CD 3.47Å; P279-G305 CarbonylContact O-C 3.51Å; P279-G305 VanDerWaalsContact O-CA 3.23Å; P279-G305 WeakPolarHBondContact O-CA 3.42Å; P279-H306 PolarHBondContact O-N 2.63Å; P279-G307 WeakPolarHBondContact O-CA 3.5Å; P279-G307 PolarHBondContact O-N 3.33Å
280T98.1Very high97.5Very high30 Ų3054.8 Ų54.818%0.18428%0.279CS..EExtended strand (participates in β ladder)trans-90.4128.6-166.8-56.60000110.9L196 F197 V199 R278L196-T280 WeakPolarHBondContact CA-O 3.26Å; F197-T280 WeakPolarHBondContact CD1-O 3.37Å; F197-T280 HydrophobicContact CE1-CG2 4.14Å; F197-T280 HydrophobicContact CE2-CG2 3.85Å; F197-T280 HydrophobicContact CZ-CG2 3.55Å; F197-T280 PolarHBondContact N-O 2.91Å; F197-T280 WeakPolarHBondContact O-CA 3.29Å; F197-T280 WeakPolarHBondContact O-CB 3.43Å; F197-T280 PolarHBondContact O-N 2.85Å; V199-T280 HydrophobicContact CG2-CG2 4.08Å; V199-T280 VanDerWaalsContact CG2-OG1 3.25Å; V199-T280 WeakPolarHBondContact CG2-OG1 3.49Å; R278-T280 VanDerWaalsContact C-N 3.35Å; R278-T280 PolarHBondContact O-N 2.97Å; R278-T280 PolarHBondContact O-OG1 2.8Å
281R97.3Very high97.5Very high33 Ų3351.2 Ų51.213%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-144150.1176-168.3174.5-177.5-86.44.2108D193 K195 L196 C283D193-R281 IonicContact OD1-NE 3.87Å; D193-R281 IonicContact OD2-CZ 3.51Å; D193-R281 IonicContact OD2-NE 3.86Å; D193-R281 PolarHBondContact OD2-NE 2.81Å; D193-R281 IonicContact OD2-NH2 2.63Å; K195-R281 HydrophobicContact CB-CG 4.23Å; L196-R281 HydrophobicContact CD1-CB 4.04Å; R281-C283 VanDerWaalsContact C-N 3.31Å; R281-C283 VanDerWaalsContact CD-O 3.28Å; R281-C283 WeakPolarHBondContact CD-O 3.14Å; R281-C283 VanDerWaalsContact CG-O 3.25Å; R281-C283 WeakPolarHBondContact CG-O 3.49Å; R281-C283 PolarHBondContact NH1-O 2.98Å; R281-C283 PolarHBondContact O-N 2.85Å
282A95.4Very high97.4Very high61 Ų6151.7 Ų51.750%0.50427%0.27SS..EExtended strand (participates in β ladder)trans-58.7-43.6-179.100000112.3A56 G58A56-A282 CarbonylContact C-O 3.54Å; G58-A282 WeakPolarHBondContact CA-O 3.27Å; G58-A282 PolarHBondContact N-O 3.02Å
283C95.6Very high97.3Very high44 Ų4450 Ų5030%0.29727%0.268SS..EExtended strand (participates in β ladder)trans-118143.2171.3-320000108.8G58 R281 R285G58-C283 WeakPolarHBondContact CA-SG 3.24Å; G58-C283 PolarHBondContact O-SG 3.03Å; R281-C283 VanDerWaalsContact C-N 3.31Å; R281-C283 VanDerWaalsContact CD-O 3.28Å; R281-C283 WeakPolarHBondContact CD-O 3.14Å; R281-C283 VanDerWaalsContact CG-O 3.25Å; R281-C283 WeakPolarHBondContact CG-O 3.49Å; R281-C283 PolarHBondContact NH1-O 2.98Å; R281-C283 PolarHBondContact O-N 2.85Å; C283-R285 PolarHBondContact O-N 3.37Å
284V97.6Very high96.9Very high16 Ų1652.1 Ų52.110%0.09730%0.299CS..EExtended strand (participates in β ladder)trans-56.4128.4162.4-179.20000108T59 W67 L286 Y304 H306T59-V284 PolarHBondContact OG1-N 2.86Å; W67-V284 HydrophobicContact CH2-CB 4.28Å; W67-V284 HydrophobicContact CZ3-CB 4.09Å; W67-V284 HydrophobicContact CZ3-CG2 4.05Å; V284-L286 HydrophobicContact CG1-CB 4.31Å; V284-L286 PolarHBondContact O-N 2.91Å; V284-Y304 WeakPolarHBondContact CG1-O 3.4Å; V284-H306 WeakPolarHBondContact CG1-NE2 3.39Å
285R98.3Very high96.5Very high33 Ų3351.1 Ų51.113%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-8694.7174.6-164.7-176.7-178.2163.3-11.4107.6D193 C283 Q287 E289 H302 N303 Y304D193-R285 IonicContact OD2-NH1 3.9Å; D193-R285 PolarHBondContact OD2-NH1 2.85Å; D193-R285 VanDerWaalsContact OD2-NH1 3.08Å; C283-R285 PolarHBondContact O-N 3.37Å; R285-Q287 HydrophobicContact CG-CG 4.1Å; R285-E289 IonicContact CZ-OE2 3.51Å; R285-E289 IonicContact NH2-OE2 3.03Å; R285-E289 PolarHBondContact NH2-OE2 2.83Å; R285-H302 HydrophobicContact CG-CB 4.05Å; R285-H302 CarbonylContact O-C 3.47Å; R285-H302 VanDerWaalsContact O-C 3.26Å; R285-H302 VanDerWaalsContact O-O 3.13Å; R285-N303 VanDerWaalsContact O-CA 3.32Å; R285-N303 WeakPolarHBondContact O-CA 3.48Å; R285-N303 PolarHBondContact O-N 3Å; R285-Y304 HydrophobicContact CB-CD2 4.43Å; R285-Y304 HydrophobicContact CB-CE1 4.39Å; R285-Y304 HydrophobicContact CB-CE2 4.11Å; R285-Y304 WeakPolarHBondContact CD-OH 3.35Å; R285-Y304 PolarHBondContact N-O 3.07Å; R285-Y304 PolarHBondContact NH1-OH 2.93Å; R285-Y304 PolarHBondContact O-N 3.1Å
286L98.6Very high96.3Very high28 Ų2851.9 Ų51.915%0.14733%0.326CS..EExtended strand (participates in β ladder)trans-123.192.3176.9-177.653.1000109.4W67 V284 H302 N303 T317 E320 A321 L324W67-L286 HydrophobicContact CH2-CD2 4.39Å; W67-L286 HydrophobicContact CZ2-CD2 3.78Å; V284-L286 HydrophobicContact CG1-CB 4.31Å; V284-L286 PolarHBondContact O-N 2.91Å; L286-H302 VanDerWaalsContact CA-O 3.25Å; L286-H302 WeakPolarHBondContact CA-O 3.21Å; L286-H302 WeakPolarHBondContact CD1-O 3.32Å; L286-N303 HydrophobicContact CD1-CB 3.96Å; L286-T317 HydrophobicContact CD2-CG2 4.19Å; L286-E320 HydrophobicContact CD2-CB 3.76Å; L286-E320 HydrophobicContact CD2-CG 3.55Å; L286-E320 HydrophobicContact CG-CG 4.01Å; L286-A321 HydrophobicContact CD1-CB 3.83Å; L286-L324 HydrophobicContact CD1-CD1 4.16Å; L286-L324 HydrophobicContact CG-CD1 4.44Å
287Q98.3Very high96.2Very high86 Ų8657.6 Ų57.640%0.40235%0.349SS..EExtended strand (participates in β ladder)trans-161.8156.7-173.462.6-177.496.100111.7R285 H302R285-Q287 HydrophobicContact CG-CG 4.1Å; Q287-H302 PolarHBondContact N-O 3.27Å; Q287-H302 PolarHBondContact O-N 2.97Å
288K98Very high96.2Very high113 Ų11357 Ų5749%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-82.5149.7166.766.3-175.4173.6-172.40111.5V300 E327K288-V300 CarbonylContact C-O 3.55Å; K288-V300 VanDerWaalsContact CA-O 3.32Å; K288-V300 WeakPolarHBondContact CA-O 3.11Å; K288-E327 WeakPolarHBondContact CE-OE2 3.21Å; K288-E327 IonicContact NZ-OE2 2.97Å; K288-E327 PolarHBondContact NZ-OE2 2.85Å
289E98.1Very high96.2Very high63 Ų6355.9 Ų55.929%0.29434%0.343SS..EExtended strand (participates in β ladder)trans-145.9144.4175.9-173167169.600109.1R285 L291 V300 H302R285-E289 IonicContact CZ-OE2 3.51Å; R285-E289 IonicContact NH2-OE2 3.03Å; R285-E289 PolarHBondContact NH2-OE2 2.83Å; E289-L291 HydrophobicContact CG-CD2 3.88Å; E289-L291 VanDerWaalsContact OE1-CD2 3.23Å; E289-L291 WeakPolarHBondContact OE1-CD2 3.36Å; E289-V300 PolarHBondContact N-O 2.8Å; E289-V300 PolarHBondContact O-N 3.43Å; E289-H302 IonicContact OE2-CD2 3.08Å; E289-H302 IonicContact OE2-NE2 2.74Å; E289-H302 PolarHBondContact OE2-NE2 3.35Å
290V97.4Very high96.2Very high77 Ų7755.2 Ų55.247%0.46734%0.338SS..EExtended strand (participates in β ladder)trans-112.6103.5173.3-1760000107.5K297 L299V290-K297 HydrophobicContact CG1-CB 4.08Å; V290-K297 HydrophobicContact CG1-CD 4.19Å; V290-K297 HydrophobicContact CG1-CG 4.24Å; V290-L299 HydrophobicContact CG1-CD2 4.23Å; V290-L299 HydrophobicContact CG2-CD2 3.76Å
291L96.3Very high96.2Very high36 Ų3653.8 Ų53.819%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-78.3144175.5-57.2-178.3000109.3L169 W170 E289 K297 L298 V300L169-L291 HydrophobicContact CD1-CD1 4.21Å; W170-L291 HydrophobicContact CZ2-CB 3.69Å; E289-L291 HydrophobicContact CG-CD2 3.88Å; E289-L291 VanDerWaalsContact OE1-CD2 3.23Å; E289-L291 WeakPolarHBondContact OE1-CD2 3.36Å; L291-K297 CarbonylContact O-C 3.58Å; L291-K297 WeakPolarHBondContact O-CA 3.32Å; L291-L298 HydrophobicContact CB-CB 4.33Å; L291-L298 PolarHBondContact N-O 2.84Å; L291-L298 PolarHBondContact O-N 3.24Å; L291-V300 HydrophobicContact CD1-CG2 3.73Å; L291-V300 HydrophobicContact CG-CG2 3.92Å
292S94.8Very high96.3Very high87 Ų8752.2 Ų52.261%0.60832%0.323SS*.EExtended strand (participates in β ladder)trans-127.6129175.6-59.60000110.9W170 A296W170-S292 VanDerWaalsContact CZ2-C 3.43Å; S292-A296 VanDerWaalsContact CA-O 3.32Å; S292-A296 WeakPolarHBondContact CA-O 3.48Å
293Q94Very high96.5Very high108 Ų10849.4 Ų49.451%0.50530%0.3SS..EExtended strand (participates in β ladder)trans-147.5128.2176.9-177.8173.9-29.800108.9W170 G295 A296W170-Q293 HydrophobicContact CD2-CB 3.85Å; W170-Q293 HydrophobicContact CE3-CB 4.14Å; W170-Q293 VanDerWaalsContact CG-OE1 3.26Å; W170-Q293 HydrophobicContact CH2-CB 3.66Å; W170-Q293 VanDerWaalsContact CH2-N 3.28Å; W170-Q293 HydrophobicContact CZ2-CB 3.3Å; W170-Q293 HydrophobicContact CZ3-CB 4.06Å; Q293-G295 PolarHBondContact O-N 3.26Å; Q293-G295 VanDerWaalsContact O-N 3.16Å; Q293-A296 PolarHBondContact N-O 2.9Å; Q293-A296 VanDerWaalsContact N-O 3.15Å; Q293-A296 PolarHBondContact O-N 3.36Å
294G89.8Confident96.6Very high90 Ų9047.3 Ų47.393%0.92829%0.286SS*.THydrogen-bonded Turntrans5731.517800000114.5A296G294-A296 PolarHBondContact O-N 2.89Å
295G89.7Confident96.7Very high83 Ų8346.6 Ų46.686%0.85628%0.281SS*.THydrogen-bonded Turntrans80.2-9.3-177.200000115.3Q293Q293-G295 PolarHBondContact O-N 3.26Å; Q293-G295 VanDerWaalsContact O-N 3.16Å
296A93.4Very high96.7Very high32 Ų3245.8 Ų45.826%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-84.6156.6172.800000111.5W170 S292 Q293 G294W170-A296 WeakPolarHBondContact CH2-O 3.39Å; W170-A296 HydrophobicContact CZ3-CB 4.11Å; S292-A296 VanDerWaalsContact CA-O 3.32Å; S292-A296 WeakPolarHBondContact CA-O 3.48Å; Q293-A296 PolarHBondContact N-O 2.9Å; Q293-A296 VanDerWaalsContact N-O 3.15Å; Q293-A296 PolarHBondContact O-N 3.36Å; G294-A296 PolarHBondContact O-N 2.89Å
297K94.9Very high96.6Very high127 Ų12745.2 Ų45.255%0.55228%0.28SS*.EExtended strand (participates in β ladder)trans-121.6132.9178.5-67.9-178.9-179.7177.90110.4H173 V290 L291H173-K297 PolarHBondContact NE2-O 3.44Å; V290-K297 HydrophobicContact CG1-CB 4.08Å; V290-K297 HydrophobicContact CG1-CD 4.19Å; V290-K297 HydrophobicContact CG1-CG 4.24Å; L291-K297 CarbonylContact O-C 3.58Å; L291-K297 WeakPolarHBondContact O-CA 3.32Å
298L97.2Very high96.4Very high1 Ų142.8 Ų42.81%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-116.3122.7173.1-178.661.8000109.9L169 W170 H173 V179 L291 V300L169-L298 HydrophobicContact CB-CD2 4.11Å; W170-L298 HydrophobicContact CD2-CD2 4.46Å; W170-L298 HydrophobicContact CE3-CB 4.37Å; W170-L298 HydrophobicContact CH2-CB 3.86Å; W170-L298 HydrophobicContact CZ2-CB 4.19Å; W170-L298 HydrophobicContact CZ3-CB 3.97Å; H173-L298 HydrophobicContact CB-CD1 4.23Å; V179-L298 HydrophobicContact CG2-CD1 3.96Å; V179-L298 HydrophobicContact CG2-CD2 4.36Å; L291-L298 HydrophobicContact CB-CB 4.33Å; L291-L298 PolarHBondContact N-O 2.84Å; L291-L298 PolarHBondContact O-N 3.24Å; L298-V300 HydrophobicContact CD2-CG2 4.13Å; L298-V300 HydrophobicContact CG-CG2 3.94Å
299L98.3Very high96.3Very high11 Ų1137.6 Ų37.66%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-81.3123174.6-57.7-179.7000109.3I178 V179 V290 C328 Y331 L332I178-L299 WeakPolarHBondContact CA-O 3.47Å; I178-L299 HydrophobicContact CG1-CB 4.21Å; I178-L299 HydrophobicContact CG1-CD1 4.23Å; V179-L299 PolarHBondContact N-O 2.76Å; V290-L299 HydrophobicContact CG1-CD2 4.23Å; V290-L299 HydrophobicContact CG2-CD2 3.76Å; L299-C328 HydrophobicContact CB-CB 4.46Å; L299-C328 HydrophobicContact CD1-CB 3.92Å; L299-Y331 HydrophobicContact CD1-CD1 3.99Å; L299-Y331 HydrophobicContact CD2-CD1 4.15Å; L299-Y331 HydrophobicContact CD2-CE1 4.21Å; L299-L332 HydrophobicContact CD1-CD1 4.09Å; L299-L332 HydrophobicContact CD1-CD2 3.77Å; L299-L332 HydrophobicContact CD1-CG 3.73Å
300V98.8Very high96.2Very high0 Ų035.1 Ų35.10%025%0.245CC..EExtended strand (participates in β ladder)trans-123.9135.7-178.8-174.70000110.5L169 V179 N181 K288 E289 L291 L298 H302L169-V300 HydrophobicContact CD1-CG1 3.85Å; L169-V300 HydrophobicContact CD1-CG2 4.13Å; V179-V300 CarbonylContact O-C 3.45Å; V179-V300 WeakPolarHBondContact O-CA 3.41Å; N181-V300 HydrophobicContact CB-CG1 4.38Å; K288-V300 CarbonylContact C-O 3.55Å; K288-V300 VanDerWaalsContact CA-O 3.32Å; K288-V300 WeakPolarHBondContact CA-O 3.11Å; E289-V300 PolarHBondContact N-O 2.8Å; E289-V300 PolarHBondContact O-N 3.43Å; L291-V300 HydrophobicContact CD1-CG2 3.73Å; L291-V300 HydrophobicContact CG-CG2 3.92Å; L298-V300 HydrophobicContact CD2-CG2 4.13Å; L298-V300 HydrophobicContact CG-CG2 3.94Å; V300-H302 VanDerWaalsContact CG1-CE1 3.4Å; V300-H302 WeakPolarHBondContact CG1-CE1 3.38Å
301V98.9Very high96.2Very high0 Ų032.3 Ų32.30%023%0.226CC..EExtended strand (participates in β ladder)trans-113.9116.4166.4177.80000108V179 V180 N181 A321 L324 V325V179-V301 PolarHBondContact O-N 3.37Å; V180-V301 CarbonylContact C-O 3.29Å; V180-V301 VanDerWaalsContact CA-O 3.24Å; V180-V301 WeakPolarHBondContact CA-O 3.42Å; V180-V301 HydrophobicContact CG1-CB 4.3Å; V180-V301 HydrophobicContact CG1-CG1 4.43Å; V180-V301 HydrophobicContact CG2-CB 4.44Å; N181-V301 PolarHBondContact N-O 2.92Å; V301-A321 HydrophobicContact CG1-CB 4.32Å; V301-L324 HydrophobicContact CG1-CB 3.89Å; V301-L324 HydrophobicContact CG1-CD1 4Å; V301-L324 HydrophobicContact CG2-CB 4Å; V301-V325 HydrophobicContact CB-CG2 4.33Å; V301-V325 HydrophobicContact CG2-CG2 3.94Å
302H98.9Very high96.3Very high1 Ų130.7 Ų30.71%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-85.4138.7175.2-62.9-68.1000110.2N181 R285 L286 Q287 E289 V300 Y304N181-H302 PolarHBondContact ND2-ND1 2.94Å; R285-H302 HydrophobicContact CG-CB 4.05Å; R285-H302 CarbonylContact O-C 3.47Å; R285-H302 VanDerWaalsContact O-C 3.26Å; R285-H302 VanDerWaalsContact O-O 3.13Å; L286-H302 VanDerWaalsContact CA-O 3.25Å; L286-H302 WeakPolarHBondContact CA-O 3.21Å; L286-H302 WeakPolarHBondContact CD1-O 3.32Å; Q287-H302 PolarHBondContact N-O 3.27Å; Q287-H302 PolarHBondContact O-N 2.97Å; E289-H302 IonicContact OE2-CD2 3.08Å; E289-H302 IonicContact OE2-NE2 2.74Å; E289-H302 PolarHBondContact OE2-NE2 3.35Å; V300-H302 VanDerWaalsContact CG1-CE1 3.4Å; V300-H302 WeakPolarHBondContact CG1-CE1 3.38Å; H302-Y304 HydrophobicContact CB-CD1 4.13Å; H302-Y304 HydrophobicContact CB-CE1 3.8Å; H302-Y304 AromaticContact CG-CE1 3.9Å; H302-Y304 AromaticContact ND1-CE1 3.56Å
303N98.9Very high96.5Very high1 Ų127.1 Ų27.11%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-146.577.7170.4-171.512.7000110.3V14 T18 N181 R285 L286 H306 A321V14-N303 HydrophobicContact CG1-CB 4.4Å; V14-N303 VanDerWaalsContact CG1-ND2 3.33Å; V14-N303 WeakPolarHBondContact CG1-ND2 3.32Å; T18-N303 PolarHBondContact OG1-ND2 3.45Å; N181-N303 PolarHBondContact O-N 3.47Å; R285-N303 VanDerWaalsContact O-CA 3.32Å; R285-N303 WeakPolarHBondContact O-CA 3.48Å; R285-N303 PolarHBondContact O-N 3Å; L286-N303 HydrophobicContact CD1-CB 3.96Å; N303-H306 PolarHBondContact OD1-CE1 3.07Å; N303-H306 PolarHBondContact OD1-NE2 2.88Å; N303-A321 HydrophobicContact CB-CB 4.25Å
304Y98.8Very high96.7Very high0 Ų022 Ų220%017%0.169CC..EExtended strand (participates in β ladder)trans-149.7179.7-179.565.8-97.4000112.7A187 V191 D193 L196 V284 R285 H302A187-Y304 HydrophobicContact CB-CD1 3.77Å; A187-Y304 HydrophobicContact CB-CD2 3.63Å; A187-Y304 HydrophobicContact CB-CE1 3.77Å; A187-Y304 HydrophobicContact CB-CE2 3.67Å; A187-Y304 HydrophobicContact CB-CG 3.68Å; V191-Y304 HydrophobicContact CG2-CE1 4.35Å; V191-Y304 WeakPolarHBondContact CG2-OH 3.4Å; D193-Y304 HydrophobicContact CB-CE2 4.31Å; D193-Y304 WeakPolarHBondContact CB-OH 3.47Å; D193-Y304 PolarHBondContact OD2-OH 3.22Å; D193-Y304 VanDerWaalsContact OD2-OH 3.05Å; L196-Y304 HydrophobicContact CD1-CD2 4.35Å; L196-Y304 HydrophobicContact CD2-CD2 3.89Å; L196-Y304 HydrophobicContact CD2-CE2 4.01Å; V284-Y304 WeakPolarHBondContact CG1-O 3.4Å; R285-Y304 HydrophobicContact CB-CD2 4.43Å; R285-Y304 HydrophobicContact CB-CE1 4.39Å; R285-Y304 HydrophobicContact CB-CE2 4.11Å; R285-Y304 WeakPolarHBondContact CD-OH 3.35Å; R285-Y304 PolarHBondContact N-O 3.07Å; R285-Y304 PolarHBondContact NH1-OH 2.93Å; R285-Y304 PolarHBondContact O-N 3.1Å; H302-Y304 HydrophobicContact CB-CD1 4.13Å; H302-Y304 HydrophobicContact CB-CE1 3.8Å; H302-Y304 AromaticContact CG-CE1 3.9Å; H302-Y304 AromaticContact ND1-CE1 3.56Å
305G98.3Very high97.1Very high1 Ų118.7 Ų18.71%0.0113%0.128CC..EExtended strand (participates in β ladder)trans86.529.817900000114P279 G307P279-G305 CarbonylContact O-C 3.51Å; P279-G305 VanDerWaalsContact O-CA 3.23Å; P279-G305 WeakPolarHBondContact O-CA 3.42Å; G305-G307 VanDerWaalsContact C-N 3.28Å; G305-G307 PolarHBondContact O-N 2.76Å
306H98.2Very high97.5Very high17 Ų1714.8 Ų14.88%0.0799%0.088CC..EExtended strand (participates in β ladder)trans-76.8-6.1-173.4-64.187.5000115.4P279 V284 N303 A308 G309 G310P279-H306 PolarHBondContact O-N 2.63Å; V284-H306 WeakPolarHBondContact CG1-NE2 3.39Å; N303-H306 PolarHBondContact OD1-CE1 3.07Å; N303-H306 PolarHBondContact OD1-NE2 2.88Å; H306-A308 PolarHBondContact O-N 3.1Å; H306-G309 PolarHBondContact O-N 3.48Å; H306-G310 VanDerWaalsContact CB-CA 3.47Å; H306-G310 PolarHBondContact O-N 3.29Å
307G97.2Very high97.8Very high15 Ų1513.2 Ų13.216%0.1558%0.075CC..G310 helixtrans51.1-128.5-177.700000112.4P279 G305 G309P279-G307 WeakPolarHBondContact O-CA 3.5Å; P279-G307 PolarHBondContact O-N 3.33Å; G305-G307 VanDerWaalsContact C-N 3.28Å; G305-G307 PolarHBondContact O-N 2.76Å; G307-G309 VanDerWaalsContact C-N 3.34Å
308A95.4Very high98Very high35 Ų357.2 Ų7.229%0.2895%0.049SC..G310 helixtrans-80.6-12.9176.200000113.8H54 H306H54-A308 HydrophobicContact CB-CB 4.08Å; H54-A308 PolarHBondContact CD2-O 2.95Å; H54-A308 VanDerWaalsContact CD2-O 3.25Å; H306-A308 PolarHBondContact O-N 3.1Å
309G94.9Very high98.1Very high4 Ų411.5 Ų11.54%0.0417%0.067CC..G310 helixtrans-93.65.1-171.800000115.1H306 G307 F311 S312 T313H306-G309 PolarHBondContact O-N 3.48Å; G307-G309 VanDerWaalsContact C-N 3.34Å; G309-F311 PolarHBondContact O-N 3.09Å; G309-S312 VanDerWaalsContact C-OG 3.31Å; G309-S312 VanDerWaalsContact CA-OG 3.3Å; G309-S312 WeakPolarHBondContact CA-OG 3.27Å; G309-S312 PolarHBondContact O-N 3Å; G309-S312 PolarHBondContact O-OG 3.31Å; G309-T313 PolarHBondContact O-N 2.72Å; G309-T313 VanDerWaalsContact O-N 3.14Å; G309-T313 PolarHBondContact O-OG1 3.2Å
310G96.4Very high98.1Very high12 Ų1213.8 Ų13.812%0.1248%0.078CC..Hα-helixtrans-53.7-50.8-174.100000113.9H306 S312 T313 H314H306-G310 VanDerWaalsContact CB-CA 3.47Å; H306-G310 PolarHBondContact O-N 3.29Å; G310-S312 VanDerWaalsContact C-N 3.32Å; G310-S312 PolarHBondContact O-N 2.79Å; G310-T313 PolarHBondContact O-N 3.3Å; G310-H314 WeakPolarHBondContact O-CA 3.37Å; G310-H314 VanDerWaalsContact O-CB 3.29Å; G310-H314 WeakPolarHBondContact O-CB 3.46Å; G310-H314 PolarHBondContact O-N 3.06Å
311F97.3Very high98.1Very high17 Ų1713.8 Ų13.88%0.0758%0.078CC..Hα-helixtrans-63.2-38.4177.2178.6-109000112.3V13 G49 L51 L75 C141 Y146 G309 T313 H314V13-F311 HydrophobicContact CG2-CD2 4.38Å; G49-F311 WeakPolarHBondContact O-CE1 3.48Å; L51-F311 HydrophobicContact CB-CE1 4.07Å; L51-F311 HydrophobicContact CD1-CD1 3.89Å; L51-F311 HydrophobicContact CD1-CE1 3.57Å; L51-F311 HydrophobicContact CD1-CZ 4.21Å; L51-F311 HydrophobicContact CG-CE1 4.43Å; L75-F311 HydrophobicContact CD1-CE1 4.1Å; L75-F311 HydrophobicContact CD1-CE2 4.03Å; L75-F311 HydrophobicContact CD1-CZ 3.44Å; L75-F311 VanDerWaalsContact CD1-CZ 3.44Å; C141-F311 HydrophobicContact CB-CD2 4.26Å; C141-F311 HydrophobicContact CB-CE1 3.72Å; C141-F311 HydrophobicContact CB-CE2 3.37Å; C141-F311 HydrophobicContact CB-CZ 3.07Å; Y146-F311 HydrophobicContact CD1-CE2 4.23Å; Y146-F311 HydrophobicContact CE1-CE2 4.25Å; G309-F311 PolarHBondContact O-N 3.09Å; F311-T313 VanDerWaalsContact C-N 3.28Å; F311-T313 PolarHBondContact O-N 3.17Å; F311-H314 PolarHBondContact O-ND1 3.06Å
312S97.9Very high98.1Very high2 Ų213.9 Ų13.91%0.0148%0.079CC..Hα-helixtrans-70.3-17.4-178.555.40000115.6F68 T71 G309 G310F68-S312 WeakPolarHBondContact CD2-O 3.37Å; T71-S312 WeakPolarHBondContact CB-O 3.21Å; T71-S312 PolarHBondContact OG1-O 3.08Å; G309-S312 VanDerWaalsContact C-OG 3.31Å; G309-S312 VanDerWaalsContact CA-OG 3.3Å; G309-S312 WeakPolarHBondContact CA-OG 3.27Å; G309-S312 PolarHBondContact O-N 3Å; G309-S312 PolarHBondContact O-OG 3.31Å; G310-S312 VanDerWaalsContact C-N 3.32Å; G310-S312 PolarHBondContact O-N 2.79Å
313T98.4Very high98.1Very high13 Ų1319.2 Ų19.28%0.0810%0.099CC..Hα-helixtrans-126.74.1-176.563.10000113.5W67 T71 G309 G310 F311 W315 G316 T317W67-T313 HydrophobicContact CB-CG2 4.14Å; T71-T313 VanDerWaalsContact OG1-C 3.3Å; T71-T313 WeakPolarHBondContact OG1-CA 3.18Å; G309-T313 PolarHBondContact O-N 2.72Å; G309-T313 VanDerWaalsContact O-N 3.14Å; G309-T313 PolarHBondContact O-OG1 3.2Å; G310-T313 PolarHBondContact O-N 3.3Å; F311-T313 VanDerWaalsContact C-N 3.28Å; F311-T313 PolarHBondContact O-N 3.17Å; T313-W315 VanDerWaalsContact C-N 3.28Å; T313-W315 PolarHBondContact O-N 2.9Å; T313-G316 PolarHBondContact O-N 3.12Å; T313-T317 WeakPolarHBondContact O-CB 3.46Å; T313-T317 WeakPolarHBondContact O-CG2 3.45Å; T313-T317 PolarHBondContact O-N 3.02Å; T313-T317 PolarHBondContact O-OG1 3.2Å
314H98.8Very high98.1Very high0 Ų019.6 Ų19.60%010%0.101CC..Hα-helixtrans-60.2-34.7-168.674-86.5000113.4V13 V14 S17 T71 Y146 G310 F311 T317 A318V13-H314 HydrophobicContact CG1-CB 4.21Å; V13-H314 HydrophobicContact CG2-CB 4.09Å; V14-H314 HydrophobicContact CG2-CB 4.3Å; S17-H314 VanDerWaalsContact CB-CD2 3.49Å; S17-H314 WeakPolarHBondContact CB-CD2 3.26Å; S17-H314 PolarHBondContact OG-O 2.92Å; S17-H314 VanDerWaalsContact OG-O 3.13Å; T71-H314 VanDerWaalsContact CG2-CE1 3.47Å; T71-H314 WeakPolarHBondContact CG2-CE1 3.27Å; T71-H314 WeakPolarHBondContact CG2-ND1 3.49Å; Y146-H314 AromaticContact CE1-NE2 3.91Å; Y146-H314 AromaticContact CZ-NE2 3.9Å; Y146-H314 PolarHBondContact OH-NE2 3.07Å; G310-H314 WeakPolarHBondContact O-CA 3.37Å; G310-H314 VanDerWaalsContact O-CB 3.29Å; G310-H314 WeakPolarHBondContact O-CB 3.46Å; G310-H314 PolarHBondContact O-N 3.06Å; F311-H314 PolarHBondContact O-ND1 3.06Å; H314-T317 WeakPolarHBondContact CA-OG1 3.42Å; H314-T317 PolarHBondContact O-OG1 3.07Å; H314-A318 WeakPolarHBondContact O-CB 3.45Å; H314-A318 PolarHBondContact O-N 3.03Å
315W98.9Very high98.1Very high20 Ų2019.6 Ų19.68%0.07610%0.101CC..Hα-helixtrans-81.1-44-176.5-162.5-103.3000111.3L20 T71 Y74 T313 T317 A318 K319L20-W315 HydrophobicContact CD2-CH2 3.92Å; L20-W315 HydrophobicContact CD2-CZ3 4.11Å; L20-W315 HydrophobicContact CG-CH2 4.19Å; T71-W315 HydrophobicContact CG2-CB 4.17Å; T71-W315 PolarHBondContact OG1-N 3.35Å; Y74-W315 HydrophobicContact CD1-CB 4.23Å; Y74-W315 AromaticContact CD1-CD2 3.51Å; Y74-W315 HydrophobicContact CD1-CD2 3.51Å; Y74-W315 AromaticContact CD1-CE2 3.99Å; Y74-W315 AromaticContact CD1-CE3 3.68Å; Y74-W315 HydrophobicContact CD1-CE3 3.68Å; Y74-W315 AromaticContact CD1-CG 3.74Å; Y74-W315 HydrophobicContact CD1-CG 3.74Å; Y74-W315 HydrophobicContact CD1-CZ3 4.32Å; Y74-W315 AromaticContact CD2-CD2 3.79Å; Y74-W315 HydrophobicContact CD2-CD2 3.79Å; Y74-W315 AromaticContact CD2-CE2 3.32Å; Y74-W315 HydrophobicContact CD2-CE3 4.36Å; Y74-W315 HydrophobicContact CD2-CG 4.24Å; Y74-W315 HydrophobicContact CD2-CH2 4.19Å; Y74-W315 AromaticContact CD2-CZ2 3.57Å; Y74-W315 HydrophobicContact CD2-CZ2 3.57Å; Y74-W315 AromaticContact CD2-NE1 3.48Å; Y74-W315 AromaticContact CE1-CD2 3.67Å; Y74-W315 HydrophobicContact CE1-CD2 3.67Å; Y74-W315 AromaticContact CE1-CE3 3.36Å; Y74-W315 HydrophobicContact CE1-CE3 3.36Å; Y74-W315 HydrophobicContact CE1-CG 4.37Å; Y74-W315 HydrophobicContact CE1-CH2 4.09Å; Y74-W315 HydrophobicContact CE1-CZ2 4.33Å; Y74-W315 AromaticContact CE1-CZ3 3.6Å; Y74-W315 HydrophobicContact CE1-CZ3 3.6Å; Y74-W315 AromaticContact CE2-CD2 3.94Å; Y74-W315 HydrophobicContact CE2-CD2 3.94Å; Y74-W315 AromaticContact CE2-CE2 3.47Å; Y74-W315 VanDerWaalsContact CE2-CE2 3.47Å; Y74-W315 HydrophobicContact CE2-CE3 4.08Å; Y74-W315 AromaticContact CE2-CH2 3.44Å; Y74-W315 HydrophobicContact CE2-CH2 3.44Å; Y74-W315 VanDerWaalsContact CE2-CH2 3.44Å; Y74-W315 AromaticContact CE2-CZ2 3.22Å; Y74-W315 HydrophobicContact CE2-CZ2 3.22Å; Y74-W315 AromaticContact CE2-CZ3 3.86Å; Y74-W315 HydrophobicContact CE2-CZ3 3.86Å; Y74-W315 HydrophobicContact CG-CB 4.46Å; Y74-W315 AromaticContact CG-CD1 3.67Å; Y74-W315 AromaticContact CG-CD2 3.55Å; Y74-W315 HydrophobicContact CG-CD2 3.55Å; Y74-W315 AromaticContact CG-CE2 3.58Å; Y74-W315 HydrophobicContact CG-CE3 4.16Å; Y74-W315 AromaticContact CG-CG 3.65Å; Y74-W315 HydrophobicContact CG-CG 3.65Å; Y74-W315 HydrophobicContact CG-CZ2 4.24Å; Y74-W315 AromaticContact CG-NE1 3.61Å; Y74-W315 AromaticContact CZ-CD2 3.86Å; Y74-W315 AromaticContact CZ-CE2 3.86Å; Y74-W315 AromaticContact CZ-CE3 3.56Å; Y74-W315 AromaticContact CZ-CH2 3.35Å; Y74-W315 AromaticContact CZ-CZ2 3.64Å; Y74-W315 AromaticContact CZ-CZ3 3.3Å; Y74-W315 WeakPolarHBondContact OH-CH2 3.48Å; Y74-W315 VanDerWaalsContact OH-CZ3 3.28Å; Y74-W315 WeakPolarHBondContact OH-CZ3 3.47Å; T313-W315 VanDerWaalsContact C-N 3.28Å; T313-W315 PolarHBondContact O-N 2.9Å; W315-T317 VanDerWaalsContact C-N 3.34Å; W315-T317 PolarHBondContact O-N 3.05Å; W315-A318 WeakPolarHBondContact O-CB 3.4Å; W315-A318 PolarHBondContact O-N 2.91Å; W315-K319 PolarHBondContact O-N 3.33Å
316G98.8Very high98.1Very high1 Ų120.3 Ų20.31%0.0111%0.108CC..Hα-helixtrans-62.5-40.6176.300000112.7E70 T71 T313 E320E70-G316 WeakPolarHBondContact OE2-CA 3.45Å; T71-G316 PolarHBondContact OG1-N 2.93Å; T313-G316 PolarHBondContact O-N 3.12Å; G316-E320 PolarHBondContact O-N 2.84Å
317T98.9Very high98Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-69.7-36174530000112.4W67 L286 T313 H314 W315 E320 A321W67-T317 HydrophobicContact CD2-CG2 3.64Å; W67-T317 HydrophobicContact CE3-CG2 3.7Å; W67-T317 HydrophobicContact CG-CG2 4.05Å; W67-T317 HydrophobicContact CH2-CG2 4.4Å; W67-T317 HydrophobicContact CZ2-CG2 4.36Å; W67-T317 HydrophobicContact CZ3-CG2 4.07Å; L286-T317 HydrophobicContact CD2-CG2 4.19Å; T313-T317 WeakPolarHBondContact O-CB 3.46Å; T313-T317 WeakPolarHBondContact O-CG2 3.45Å; T313-T317 PolarHBondContact O-N 3.02Å; T313-T317 PolarHBondContact O-OG1 3.2Å; H314-T317 WeakPolarHBondContact CA-OG1 3.42Å; H314-T317 PolarHBondContact O-OG1 3.07Å; W315-T317 VanDerWaalsContact C-N 3.34Å; W315-T317 PolarHBondContact O-N 3.05Å; T317-E320 PolarHBondContact O-N 3.2Å; T317-A321 WeakPolarHBondContact O-CB 3.5Å; T317-A321 PolarHBondContact O-N 3.24Å
318A98.9Very high98.1Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-62.9-41.8173.800000113.1C21 H314 W315 A321 A322C21-A318 HydrophobicContact CB-CB 4.28Å; H314-A318 WeakPolarHBondContact O-CB 3.45Å; H314-A318 PolarHBondContact O-N 3.03Å; W315-A318 WeakPolarHBondContact O-CB 3.4Å; W315-A318 PolarHBondContact O-N 2.91Å; A318-A321 PolarHBondContact O-N 2.94Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.09Å
319K98.9Very high98.1Very high91 Ų9121 Ų2140%0.39610%0.102SC..Hα-helixtrans-60.9-44.6174.9-77.8178.664-145.40112E70 W315 A322 R323E70-K319 IonicContact OE1-NZ 3.5Å; E70-K319 PolarHBondContact OE1-NZ 2.91Å; E70-K319 WeakPolarHBondContact OE2-CD 3.26Å; E70-K319 IonicContact OE2-NZ 3Å; E70-K319 PolarHBondContact OE2-NZ 2.65Å; W315-K319 PolarHBondContact O-N 3.33Å; K319-A322 PolarHBondContact O-N 2.9Å; K319-R323 PolarHBondContact O-N 3.32Å
320E98.8Very high98Very high60 Ų6023.6 Ų23.628%0.2812%0.123SC..Hα-helixtrans-69-37.4177.6177.261.4-164.300111.9L286 G316 T317 R323 L324L286-E320 HydrophobicContact CD2-CB 3.76Å; L286-E320 HydrophobicContact CD2-CG 3.55Å; L286-E320 HydrophobicContact CG-CG 4.01Å; G316-E320 PolarHBondContact O-N 2.84Å; T317-E320 PolarHBondContact O-N 3.2Å; E320-R323 VanDerWaalsContact CD-NE 3.31Å; E320-R323 WeakPolarHBondContact O-CB 3.25Å; E320-R323 PolarHBondContact O-N 3.05Å; E320-R323 IonicContact OE1-CZ 2.71Å; E320-R323 VanDerWaalsContact OE1-CZ 3.31Å; E320-R323 IonicContact OE1-NE 3.17Å; E320-R323 PolarHBondContact OE1-NE 3.13Å; E320-R323 VanDerWaalsContact OE1-NE 3.12Å; E320-R323 IonicContact OE1-NH2 3.52Å; E320-R323 PolarHBondContact OE1-NH2 3.01Å; E320-R323 IonicContact OE2-CZ 3.12Å; E320-R323 IonicContact OE2-NE 3.78Å; E320-R323 PolarHBondContact OE2-NE 3.24Å; E320-R323 IonicContact OE2-NH2 3.65Å; E320-L324 WeakPolarHBondContact O-CG 3Å; E320-L324 PolarHBondContact O-N 3.47Å
321A98.9Very high97.8Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-61.8-43171.800000112T18 L286 V301 N303 T317 A318 R323 L324 V325T18-A321 HydrophobicContact CG2-CB 3.68Å; L286-A321 HydrophobicContact CD1-CB 3.83Å; V301-A321 HydrophobicContact CG1-CB 4.32Å; N303-A321 HydrophobicContact CB-CB 4.25Å; T317-A321 WeakPolarHBondContact O-CB 3.5Å; T317-A321 PolarHBondContact O-N 3.24Å; A318-A321 PolarHBondContact O-N 2.94Å; A321-R323 VanDerWaalsContact C-N 3.33Å; A321-R323 PolarHBondContact O-N 3.33Å; A321-L324 PolarHBondContact O-N 3.19Å; A321-V325 WeakPolarHBondContact O-CG2 3.46Å; A321-V325 PolarHBondContact O-N 2.92Å
322A98.8Very high97.5Very high2 Ų230.1 Ų30.12%0.01715%0.148CC..Hα-helixtrans-61.9-40.6174.800000111.6C21 I22 F26 A318 K319 L324 V325 G326C21-A322 HydrophobicContact CB-CB 3.98Å; I22-A322 HydrophobicContact CG1-CB 3.91Å; F26-A322 VanDerWaalsContact CE2-O 3.31Å; F26-A322 WeakPolarHBondContact CE2-O 3.47Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.09Å; K319-A322 PolarHBondContact O-N 2.9Å; A322-L324 VanDerWaalsContact C-N 3.34Å; A322-L324 PolarHBondContact O-N 3.4Å; A322-V325 WeakPolarHBondContact O-CB 3.16Å; A322-V325 PolarHBondContact O-N 2.82Å; A322-G326 PolarHBondContact O-N 3.2Å
323R98.7Very high97Very high112 Ų11234.3 Ų34.342%0.42317%0.167SC..Hα-helixtrans-57.1-46173.5-165.9-168.769.268.78.8111.7K319 E320 A321 G326 E327K319-R323 PolarHBondContact O-N 3.32Å; E320-R323 VanDerWaalsContact CD-NE 3.31Å; E320-R323 WeakPolarHBondContact O-CB 3.25Å; E320-R323 PolarHBondContact O-N 3.05Å; E320-R323 IonicContact OE1-CZ 2.71Å; E320-R323 VanDerWaalsContact OE1-CZ 3.31Å; E320-R323 IonicContact OE1-NE 3.17Å; E320-R323 PolarHBondContact OE1-NE 3.13Å; E320-R323 VanDerWaalsContact OE1-NE 3.12Å; E320-R323 IonicContact OE1-NH2 3.52Å; E320-R323 PolarHBondContact OE1-NH2 3.01Å; E320-R323 IonicContact OE2-CZ 3.12Å; E320-R323 IonicContact OE2-NE 3.78Å; E320-R323 PolarHBondContact OE2-NE 3.24Å; E320-R323 IonicContact OE2-NH2 3.65Å; A321-R323 VanDerWaalsContact C-N 3.33Å; A321-R323 PolarHBondContact O-N 3.33Å; R323-G326 WeakPolarHBondContact O-CA 3.34Å; R323-G326 PolarHBondContact O-N 2.84Å; R323-G326 VanDerWaalsContact O-N 3.15Å; R323-E327 IonicContact CZ-OE1 3.8Å; R323-E327 IonicContact NH1-OE1 2.73Å; R323-E327 PolarHBondContact NH1-OE1 3.39Å; R323-E327 IonicContact NH2-OE1 3.89Å; R323-E327 PolarHBondContact O-N 2.81Å
324L98.8Very high96.3Very high10 Ų1035.2 Ų35.25%0.05218%0.179CC..Hα-helixtrans-64.5-37.5176.6-67.2172.4000112.6L286 V301 E320 A321 A322 G326 E327 C328L286-L324 HydrophobicContact CD1-CD1 4.16Å; L286-L324 HydrophobicContact CG-CD1 4.44Å; V301-L324 HydrophobicContact CG1-CB 3.89Å; V301-L324 HydrophobicContact CG1-CD1 4Å; V301-L324 HydrophobicContact CG2-CB 4Å; E320-L324 WeakPolarHBondContact O-CG 3Å; E320-L324 PolarHBondContact O-N 3.47Å; A321-L324 PolarHBondContact O-N 3.19Å; A322-L324 VanDerWaalsContact C-N 3.34Å; A322-L324 PolarHBondContact O-N 3.4Å; L324-G326 VanDerWaalsContact C-N 3.3Å; L324-G326 PolarHBondContact O-N 2.91Å; L324-E327 WeakPolarHBondContact O-CB 3.18Å; L324-E327 PolarHBondContact O-N 3Å; L324-C328 PolarHBondContact O-N 3.47Å; L324-C328 VanDerWaalsContact O-N 3.12Å; L324-C328 PolarHBondContact O-SG 3.33Å
325V98.7Very high95Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-61.9-39.7172.1170.10000111V6 I22 I178 V180 V301 A321 A322 E327 C328 I329V6-V325 HydrophobicContact CG2-CG1 4.35Å; I22-V325 HydrophobicContact CD1-CG2 3.9Å; I22-V325 HydrophobicContact CG1-CB 4.47Å; I22-V325 HydrophobicContact CG1-CG2 4.33Å; I22-V325 HydrophobicContact CG2-CG1 4.39Å; I178-V325 HydrophobicContact CD1-CG1 4.31Å; I178-V325 HydrophobicContact CG2-CG2 4.45Å; V180-V325 HydrophobicContact CG2-CG2 3.6Å; V301-V325 HydrophobicContact CB-CG2 4.33Å; V301-V325 HydrophobicContact CG2-CG2 3.94Å; A321-V325 WeakPolarHBondContact O-CG2 3.46Å; A321-V325 PolarHBondContact O-N 2.92Å; A322-V325 WeakPolarHBondContact O-CB 3.16Å; A322-V325 PolarHBondContact O-N 2.82Å; V325-E327 VanDerWaalsContact C-N 3.31Å; V325-E327 PolarHBondContact O-N 2.87Å; V325-C328 WeakPolarHBondContact O-CB 3.49Å; V325-C328 PolarHBondContact O-N 2.54Å; V325-C328 VanDerWaalsContact O-N 3.11Å; V325-I329 HydrophobicContact CG1-CD1 3.94Å; V325-I329 HydrophobicContact CG1-CG1 4.41Å; V325-I329 WeakPolarHBondContact O-CG1 3.5Å; V325-I329 PolarHBondContact O-N 2.71Å
326G97.9Very high93.3Very high15 Ų1538.6 Ų38.616%0.15521%0.206CC..Hα-helixtrans-57.1-41.7173.100000113.2A322 R323 L324 C328 I329 A330A322-G326 PolarHBondContact O-N 3.2Å; R323-G326 WeakPolarHBondContact O-CA 3.34Å; R323-G326 PolarHBondContact O-N 2.84Å; R323-G326 VanDerWaalsContact O-N 3.15Å; L324-G326 VanDerWaalsContact C-N 3.3Å; L324-G326 PolarHBondContact O-N 2.91Å; G326-C328 PolarHBondContact O-N 2.98Å; G326-I329 PolarHBondContact O-N 3.39Å; G326-A330 PolarHBondContact O-N 2.73Å
327E97.8Very high91.5Very high63 Ų6341.8 Ų41.829%0.29423%0.228SC..Hα-helixtrans-63.5-40.2174-61.4-179.3-174.900112.2K288 R323 L324 V325 A330 Y331K288-E327 WeakPolarHBondContact CE-OE2 3.21Å; K288-E327 IonicContact NZ-OE2 2.97Å; K288-E327 PolarHBondContact NZ-OE2 2.85Å; R323-E327 IonicContact CZ-OE1 3.8Å; R323-E327 IonicContact NH1-OE1 2.73Å; R323-E327 PolarHBondContact NH1-OE1 3.39Å; R323-E327 IonicContact NH2-OE1 3.89Å; R323-E327 PolarHBondContact O-N 2.81Å; L324-E327 WeakPolarHBondContact O-CB 3.18Å; L324-E327 PolarHBondContact O-N 3Å; V325-E327 VanDerWaalsContact C-N 3.31Å; V325-E327 PolarHBondContact O-N 2.87Å; E327-A330 PolarHBondContact O-N 2.8Å; E327-Y331 WeakPolarHBondContact O-CB 3.48Å; E327-Y331 PolarHBondContact O-N 2.95Å
328C97.4Very high89.6Confident7 Ų751.7 Ų51.75%0.04727%0.266CS..Hα-helixtrans-64.1-41.3175.2-67.70000111.8I178 L299 L324 V325 G326 Y331 L332I178-C328 HydrophobicContact CD1-CB 3.56Å; I178-C328 HydrophobicContact CG1-CB 3.96Å; I178-C328 HydrophobicContact CG2-CB 4.42Å; L299-C328 HydrophobicContact CB-CB 4.46Å; L299-C328 HydrophobicContact CD1-CB 3.92Å; L324-C328 PolarHBondContact O-N 3.47Å; L324-C328 VanDerWaalsContact O-N 3.12Å; L324-C328 PolarHBondContact O-SG 3.33Å; V325-C328 WeakPolarHBondContact O-CB 3.49Å; V325-C328 PolarHBondContact O-N 2.54Å; V325-C328 VanDerWaalsContact O-N 3.11Å; G326-C328 PolarHBondContact O-N 2.98Å; C328-Y331 WeakPolarHBondContact O-CB 3.3Å; C328-Y331 PolarHBondContact O-N 3.37Å; C328-L332 WeakPolarHBondContact O-CG 3.35Å; C328-L332 PolarHBondContact O-N 3.47Å
329I95.8Very high87.6Confident13 Ų1355.8 Ų55.87%0.06730%0.299CS..Hα-helixtrans-61-47.1175.3-68.8163.9000110.5P4 F26 C29 I178 V325 G326 Y331 L332 Q333P4-I329 HydrophobicContact CB-CG1 4.15Å; P4-I329 HydrophobicContact CG-CG1 4.2Å; P4-I329 HydrophobicContact CG-CG2 3.93Å; F26-I329 HydrophobicContact CB-CD1 4.42Å; F26-I329 HydrophobicContact CD1-CD1 4.19Å; F26-I329 HydrophobicContact CD2-CD1 4.22Å; F26-I329 HydrophobicContact CG-CD1 4.01Å; C29-I329 WeakPolarHBondContact SG-CD1 3.28Å; I178-I329 HydrophobicContact CD1-CG1 3.71Å; V325-I329 HydrophobicContact CG1-CD1 3.94Å; V325-I329 HydrophobicContact CG1-CG1 4.41Å; V325-I329 WeakPolarHBondContact O-CG1 3.5Å; V325-I329 PolarHBondContact O-N 2.71Å; G326-I329 PolarHBondContact O-N 3.39Å; I329-Y331 VanDerWaalsContact C-N 3.29Å; I329-Y331 PolarHBondContact O-N 2.83Å; I329-L332 PolarHBondContact O-N 2.97Å; I329-Q333 WeakPolarHBondContact O-CG 3.35Å; I329-Q333 PolarHBondContact O-N 3.05Å
330A94.1Very high85.3Confident58 Ų5859.4 Ų59.448%0.47932%0.315SS..Hα-helixtrans-60.2-39.8177.600000111.9G326 E327 Q333 G334G326-A330 PolarHBondContact O-N 2.73Å; E327-A330 PolarHBondContact O-N 2.8Å; A330-Q333 PolarHBondContact O-N 2.74Å; A330-G334 PolarHBondContact O-N 3.27Å
331Y92.5Very high82.5Confident112 Ų11266.6 Ų66.644%0.43935%0.354SS..Hα-helixtrans-61.9-42.7175.3176-99.1000112.9L299 E327 C328 I329 S335L299-Y331 HydrophobicContact CD1-CD1 3.99Å; L299-Y331 HydrophobicContact CD2-CD1 4.15Å; L299-Y331 HydrophobicContact CD2-CE1 4.21Å; E327-Y331 WeakPolarHBondContact O-CB 3.48Å; E327-Y331 PolarHBondContact O-N 2.95Å; C328-Y331 WeakPolarHBondContact O-CB 3.3Å; C328-Y331 PolarHBondContact O-N 3.37Å; I329-Y331 VanDerWaalsContact C-N 3.29Å; I329-Y331 PolarHBondContact O-N 2.83Å; Y331-S335 WeakPolarHBondContact O-CB 3.39Å; Y331-S335 PolarHBondContact O-N 2.99Å; Y331-S335 PolarHBondContact O-OG 2.87Å
332L90.9Very high81.7Confident53 Ų5370 Ų7028%0.27737%0.372SS..Hα-helixtrans-63.5-43.4176.8-68.9170.7000111.7N177 I178 L299 C328 I329 S335 S336N177-L332 HydrophobicContact CB-CD1 3.68Å; I178-L332 HydrophobicContact CD1-CD1 4.03Å; I178-L332 HydrophobicContact CG1-CD1 4.02Å; L299-L332 HydrophobicContact CD1-CD1 4.09Å; L299-L332 HydrophobicContact CD1-CD2 3.77Å; L299-L332 HydrophobicContact CD1-CG 3.73Å; C328-L332 WeakPolarHBondContact O-CG 3.35Å; C328-L332 PolarHBondContact O-N 3.47Å; I329-L332 PolarHBondContact O-N 2.97Å; L332-S335 PolarHBondContact O-N 3.16Å; L332-S336 PolarHBondContact O-N 3.39Å; L332-S336 VanDerWaalsContact O-N 3.1Å
333Q87.5Confident80.8Confident90 Ų9073.5 Ų73.542%0.42139%0.391SS..Hα-helixtrans-66.7-42.8179.2-68.6174.2-7.300112M1 I329 A330 S335 S336 S337M1-Q333 HydrophobicContact CE-CB 4.15Å; M1-Q333 HydrophobicContact CE-CG 4Å; M1-Q333 HydrophobicContact SD-CG 4.49Å; I329-Q333 WeakPolarHBondContact O-CG 3.35Å; I329-Q333 PolarHBondContact O-N 3.05Å; A330-Q333 PolarHBondContact O-N 2.74Å; Q333-S335 VanDerWaalsContact C-N 3.34Å; Q333-S335 PolarHBondContact O-N 2.68Å; Q333-S336 PolarHBondContact O-N 2.7Å; Q333-S337 PolarHBondContact O-N 3.35Å
334G82.3Confident79.8Confident32 Ų3271.4 Ų71.433%0.3339%0.389SS..Hα-helixtrans-69.7-26.7177.200000114.2A330 S337A330-G334 PolarHBondContact O-N 3.27Å; G334-S337 PolarHBondContact O-OG 3.33Å
335S72.4Confident78.7Confident51 Ų5175 Ų7536%0.35741%0.409SS..Hα-helixtrans-76.1-35.7173.3-57.80000111.6Y331 L332 Q333 S337 R338 A339Y331-S335 WeakPolarHBondContact O-CB 3.39Å; Y331-S335 PolarHBondContact O-N 2.99Å; Y331-S335 PolarHBondContact O-OG 2.87Å; L332-S335 PolarHBondContact O-N 3.16Å; Q333-S335 VanDerWaalsContact C-N 3.34Å; Q333-S335 PolarHBondContact O-N 2.68Å; S335-S337 VanDerWaalsContact C-N 3.32Å; S335-S337 PolarHBondContact O-N 3.4Å; S335-R338 PolarHBondContact O-N 3.37Å; S335-A339 PolarHBondContact O-N 3.29Å
336S63.1Low77.4Confident41 Ų4179.7 Ų79.729%0.28743%0.434SS..Hα-helixtrans-67.8-28.1176.2-1790000113.5L332 Q333 K340L332-S336 PolarHBondContact O-N 3.39Å; L332-S336 VanDerWaalsContact O-N 3.1Å; Q333-S336 PolarHBondContact O-N 2.7Å; S336-K340 WeakPolarHBondContact O-CG 3.43Å
337S61Low76.1Confident67 Ų6784 Ų8447%0.46945%0.453SS..Hα-helixtrans-76.5-34.2177.257.20000112.3Q333 G334 S335Q333-S337 PolarHBondContact O-N 3.35Å; G334-S337 PolarHBondContact O-OG 3.33Å; S335-S337 VanDerWaalsContact C-N 3.32Å; S335-S337 PolarHBondContact O-N 3.4Å
338R59Low74.5Confident209 Ų20985.5 Ų85.579%0.78946%0.464SS*.Hα-helixtrans-73.4-28.9176.5-69.3-177.7-172.4-173.11.6114S335 K340S335-R338 PolarHBondContact O-N 3.37Å; R338-K340 PolarHBondContact O-N 3.08Å
339A57.1Low72.8Confident86 Ų8691.5 Ų91.571%0.71150%0.497SS*.THydrogen-bonded Turntrans-78.4-4.8177.500000114.1S335S335-A339 PolarHBondContact O-N 3.29Å
340K49.2Very low70.9Confident167 Ų16798.1 Ų98.173%0.72653%0.532SS*.THydrogen-bonded Turntrans-106.70.4-179-73.2-175.9176.2-171.60114S336 R338S336-K340 WeakPolarHBondContact O-CG 3.43Å; R338-K340 PolarHBondContact O-N 3.08Å
341L41.2Very low68.7Low211 Ų211101.7 Ų101.7100%1.10554%0.537SS*.  trans-104.60174.4-75.5163.4000109.1

Retrieved 341 of 341 residues in 177.7 ms (Link to these results)

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