A0A5K4F6D3_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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
1M36.6Very low81.3Confident239 Ų23941.4 Ų41.4100%1.17724%0.243SC*.  01330-71.5-174.7168.500107.5A3M1-A3 PolarHBondContact O-N 2.9Å
2S49.1Very low82.1Confident101 Ų10154.3 Ų54.371%0.70629%0.285SS*.  trans-52.5130.8171.3174.10000108.7S4S2-S4 PolarHBondContact O-N 2.79Å
3A64.9Low82.6Confident47 Ų4758.1 Ų58.139%0.38832%0.315SS..  trans-68.697.4178.600000108.5M1 N5M1-A3 PolarHBondContact O-N 2.9Å; A3-N5 PolarHBondContact O-N 2.66Å
4S81Confident82.9Confident22 Ų2259.6 Ų59.615%0.15435%0.351CS..  trans-56.6124.9170.7-57.50000110.2S2 L7 E202 R223S2-S4 PolarHBondContact O-N 2.79Å; S4-L7 WeakPolarHBondContact O-CD2 3.23Å; S4-E202 WeakPolarHBondContact CB-O 3.22Å; S4-E202 PolarHBondContact OG-O 3.04Å; S4-R223 VanDerWaalsContact CB-NH2 3.27Å; S4-R223 PolarHBondContact OG-NH2 2.82Å
5N89.5Confident83.5Confident41 Ų4157.1 Ų57.122%0.21934%0.335CS..SBendtrans-83.3-1.3172.7-71.1-20.6000112.6A3 I157 V173 V174 L175A3-N5 PolarHBondContact O-N 2.66Å; N5-I157 HydrophobicContact CB-CG2 3.52Å; N5-V173 WeakPolarHBondContact CB-O 3.47Å; N5-V174 HydrophobicContact CB-CG2 4.44Å; N5-V174 CarbonylContact O-C 3.53Å; N5-V174 VanDerWaalsContact O-CA 3.32Å; N5-V174 WeakPolarHBondContact O-CA 3.39Å; N5-L175 PolarHBondContact O-N 3.41Å
6I94.1Very high84Confident1 Ų154.6 Ų54.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-115.1110.7174.6-58.2171.7000107.4L8 I154 I157 L175 E202 A203 S204I6-L8 HydrophobicContact CG2-CD2 3.98Å; I6-L8 HydrophobicContact CG2-CG 4.23Å; I6-I154 HydrophobicContact CD1-CB 4.46Å; I6-I154 HydrophobicContact CD1-CG1 4.35Å; I6-I154 HydrophobicContact CD1-CG2 3.87Å; I6-I157 HydrophobicContact CD1-CG2 4.29Å; I6-I157 HydrophobicContact CG1-CD1 4.49Å; I6-I157 HydrophobicContact CG1-CG2 3.88Å; I6-L175 HydrophobicContact CG2-CD2 4.3Å; I6-E202 HydrophobicContact CD1-CB 4.38Å; I6-A203 HydrophobicContact CB-CB 4.42Å; I6-A203 HydrophobicContact CG2-CB 4Å; I6-S204 PolarHBondContact O-N 2.93Å
7L96Very high84.6Confident1 Ų152.5 Ų52.51%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-111.5119-179.8-53.8-177.6000108.7S4 V174 L175 L176 A177 V220 R223 I224S4-L7 WeakPolarHBondContact O-CD2 3.23Å; L7-V174 HydrophobicContact CD1-CG1 4.3Å; L7-V174 HydrophobicContact CG-CG1 4.42Å; L7-L175 PolarHBondContact N-O 2.68Å; L7-L176 HydrophobicContact CB-CD1 3.88Å; L7-L176 WeakPolarHBondContact O-CA 3.19Å; L7-A177 PolarHBondContact O-N 3.38Å; L7-V220 HydrophobicContact CD1-CG1 4.18Å; L7-R223 VanDerWaalsContact CD2-CZ 3.43Å; L7-I224 HydrophobicContact CD1-CD1 4.33Å; L7-I224 HydrophobicContact CD1-CG1 3.9Å
8L96.7Very high85.2Confident0 Ų051.9 Ų51.90%031%0.308CS..EExtended strand (participates in β ladder)trans-113.2111.2-179.2-54.9179.3000109.7I6 A177 V179 I197 A203 S204 I205 I206I6-L8 HydrophobicContact CG2-CD2 3.98Å; I6-L8 HydrophobicContact CG2-CG 4.23Å; L8-A177 CarbonylContact C-O 3.52Å; L8-A177 WeakPolarHBondContact CA-O 3.41Å; L8-A177 HydrophobicContact CD2-CB 4.02Å; L8-V179 HydrophobicContact CB-CG2 4.36Å; L8-V179 HydrophobicContact CD2-CG1 4.38Å; L8-I197 HydrophobicContact CD1-CG2 3.73Å; L8-I197 HydrophobicContact CD2-CG2 4.11Å; L8-A203 HydrophobicContact CD1-CB 3.88Å; L8-A203 HydrophobicContact CG-CB 4.39Å; L8-S204 PolarHBondContact N-O 3.07Å; L8-I205 HydrophobicContact CB-CG1 4.28Å; L8-I205 HydrophobicContact CD1-CG1 4.2Å; L8-I205 CarbonylContact O-C 3.57Å; L8-I205 WeakPolarHBondContact O-CA 3.48Å; L8-I206 PolarHBondContact O-N 2.99Å
9V96.7Very high85.7Confident0 Ų053.2 Ų53.20%032%0.317CS..EExtended strand (participates in β ladder)trans-89.1125.1175.61780000109.3L20 L176 A177 T178 V179 I206 I208V9-L20 HydrophobicContact CG1-CD1 4.33Å; V9-L20 HydrophobicContact CG1-CD2 4.44Å; V9-L20 HydrophobicContact CG2-CD2 4.17Å; V9-L176 HydrophobicContact CG2-CD1 3.84Å; V9-A177 PolarHBondContact N-O 3.13Å; V9-T178 HydrophobicContact CB-CG2 4.24Å; V9-T178 CarbonylContact O-C 3.47Å; V9-T178 WeakPolarHBondContact O-CA 3.17Å; V9-V179 PolarHBondContact O-N 2.73Å; V9-I206 WeakPolarHBondContact CA-O 3.19Å; V9-I208 HydrophobicContact CG1-CD1 3.92Å; V9-I208 HydrophobicContact CG1-CG1 4.19Å; V9-I208 HydrophobicContact CG1-CG2 3.99Å
10T96Very high86.2Confident2 Ų250.8 Ų50.81%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-127.7152.6179.9-176.10000110.6P180 S181 I205 I206 E207 I208T10-P180 PolarHBondContact OG1-O 3.27Å; T10-S181 WeakPolarHBondContact OG1-CA 3.25Å; T10-I205 HydrophobicContact CG2-CG2 3.52Å; T10-I206 PolarHBondContact N-O 2.98Å; T10-E207 HydrophobicContact CG2-CB 3.91Å; T10-E207 HydrophobicContact CG2-CG 4.21Å; T10-E207 CarbonylContact O-C 3.51Å; T10-E207 WeakPolarHBondContact O-CA 3.23Å; T10-I208 PolarHBondContact O-N 3.27Å
11G93.5Very high86.6Confident1 Ų148.3 Ų48.31%0.0129%0.288CS..EExtended strand (participates in β ladder)trans174.2169.4177.900000112S181G11-S181 WeakPolarHBondContact O-CB 3.35Å
12R91.8Very high89.4Confident196 Ų19638 Ų3874%0.7424%0.239SC*.  trans-59.4148.6-178.8-66.3-176.9-179.1-1791.1111.1G14 I15R12-G14 PolarHBondContact O-N 2.83Å; R12-I15 VanDerWaalsContact O-CB 3.22Å; R12-I15 WeakPolarHBondContact O-CB 3.43Å; R12-I15 WeakPolarHBondContact O-CG2 3.22Å; R12-I15 PolarHBondContact O-N 3.4Å; R12-I15 VanDerWaalsContact O-N 3.17Å
13P87.9Confident91.6Very high104 Ų10437.7 Ų37.768%0.67523%0.226SC*.THydrogen-bonded Turntrans-53.1137.1173.4-25.934.8000111.9I15P13-I15 VanDerWaalsContact C-N 3.28Å; P13-I15 PolarHBondContact O-N 2.95Å
14G87.3Confident93.1Very high80 Ų8035.4 Ų35.483%0.82521%0.207SC*.THydrogen-bonded Turntrans77.81.8-179.700000115.7R12 G16R12-G14 PolarHBondContact O-N 2.83Å; G14-G16 PolarHBondContact O-N 2.94Å
15I91.3Very high93.7Very high21 Ų2134.4 Ų34.411%0.10820%0.2CC..SBendtrans-68.9-21.5-179.3-160.960.2000114R12 P13 K17 I208 V210 R213R12-I15 VanDerWaalsContact O-CB 3.22Å; R12-I15 WeakPolarHBondContact O-CB 3.43Å; R12-I15 WeakPolarHBondContact O-CG2 3.22Å; R12-I15 PolarHBondContact O-N 3.4Å; R12-I15 VanDerWaalsContact O-N 3.17Å; P13-I15 VanDerWaalsContact C-N 3.28Å; P13-I15 PolarHBondContact O-N 2.95Å; I15-K17 HydrophobicContact CG2-CG 3.71Å; I15-I208 HydrophobicContact CG2-CD1 3.86Å; I15-I208 HydrophobicContact CG2-CG1 3.86Å; I15-V210 HydrophobicContact CD1-CG2 3.57Å; I15-R213 PolarHBondContact O-NH1 2.81Å; I15-R213 VanDerWaalsContact O-NH1 3.16Å
16G92Very high93.9Very high18 Ų1834.7 Ų34.719%0.18620%0.2CC..SBendtrans112.424.8-178.700000115.3G14 T18 T19 L20G14-G16 PolarHBondContact O-N 2.94Å; G16-T18 PolarHBondContact O-N 3.15Å; G16-T19 WeakPolarHBondContact O-CB 3.14Å; G16-T19 PolarHBondContact O-N 3.44Å; G16-T19 VanDerWaalsContact O-N 3.14Å; G16-L20 PolarHBondContact O-N 3.23Å
17K94.5Very high93.9Very high19 Ų1937.8 Ų37.88%0.08322%0.215CC..Hα-helixtrans-54.6-49.8178.3-47.2-167.2-45.7-62.70112.4I15 T19 L20 V21 E135 T178 I208I15-K17 HydrophobicContact CG2-CG 3.71Å; K17-T19 VanDerWaalsContact C-N 3.29Å; K17-T19 PolarHBondContact O-N 3.45Å; K17-L20 WeakPolarHBondContact O-CB 3.41Å; K17-L20 PolarHBondContact O-N 2.9Å; K17-L20 VanDerWaalsContact O-N 3.13Å; K17-V21 PolarHBondContact O-N 2.99Å; K17-E135 VanDerWaalsContact CE-OE2 3.29Å; K17-E135 WeakPolarHBondContact CE-OE2 3.48Å; K17-E135 IonicContact NZ-OE2 2.74Å; K17-E135 PolarHBondContact NZ-OE2 3.28Å; K17-T178 HydrophobicContact CB-CG2 4.11Å; K17-I208 HydrophobicContact CB-CD1 4.42Å; K17-I208 HydrophobicContact CG-CD1 4.02Å
18T94.4Very high93.7Very high42 Ų4237.8 Ų37.826%0.25822%0.215SC..Hα-helixtrans-58.5-40.9176.3-53.30000112.1G16 V21 S22 K39 D134G16-T18 PolarHBondContact O-N 3.15Å; T18-V21 VanDerWaalsContact O-CG2 3.3Å; T18-V21 WeakPolarHBondContact O-CG2 3.42Å; T18-S22 WeakPolarHBondContact O-CB 3.34Å; T18-S22 PolarHBondContact O-N 3.1Å; T18-S22 PolarHBondContact O-OG 3.39Å; T18-K39 HydrophobicContact CG2-CB 4.3Å; T18-D134 WeakPolarHBondContact CA-OD2 3.35Å; T18-D134 WeakPolarHBondContact CB-OD2 3.27Å; T18-D134 WeakPolarHBondContact CG2-OD2 3.37Å; T18-D134 PolarHBondContact OG1-OD2 3.4Å
19T94.5Very high93.4Very high76 Ų7639.5 Ų39.547%0.46622%0.224SC..Hα-helixtrans-63.4-45.2175.5-52.90000111G16 K17 S22 H23G16-T19 WeakPolarHBondContact O-CB 3.14Å; G16-T19 PolarHBondContact O-N 3.44Å; G16-T19 VanDerWaalsContact O-N 3.14Å; K17-T19 VanDerWaalsContact C-N 3.29Å; K17-T19 PolarHBondContact O-N 3.45Å; T19-S22 PolarHBondContact O-N 3.43Å; T19-H23 PolarHBondContact O-CD2 3.36Å; T19-H23 PolarHBondContact O-N 3.34Å
20L95.9Very high93.1Very high4 Ų446.7 Ų46.72%0.02126%0.255CS..Hα-helixtrans-58.6-52.7178-178158.3000111.3V9 G16 K17 S22 H23 V24 I208 T216 V217V9-L20 HydrophobicContact CG1-CD1 4.33Å; V9-L20 HydrophobicContact CG1-CD2 4.44Å; V9-L20 HydrophobicContact CG2-CD2 4.17Å; G16-L20 PolarHBondContact O-N 3.23Å; K17-L20 WeakPolarHBondContact O-CB 3.41Å; K17-L20 PolarHBondContact O-N 2.9Å; K17-L20 VanDerWaalsContact O-N 3.13Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.01Å; L20-H23 PolarHBondContact O-N 2.87Å; L20-H23 VanDerWaalsContact O-N 3.14Å; L20-V24 HydrophobicContact CD2-CG2 4.02Å; L20-V24 WeakPolarHBondContact O-CG2 3.34Å; L20-V24 PolarHBondContact O-N 3.35Å; L20-I208 HydrophobicContact CD1-CD1 3.85Å; L20-I208 HydrophobicContact CD1-CG2 3.86Å; L20-T216 HydrophobicContact CD1-CG2 3.81Å; L20-V217 HydrophobicContact CB-CG2 4.36Å; L20-V217 HydrophobicContact CD1-CG2 4.47Å; L20-V217 HydrophobicContact CG-CG2 3.8Å
21V95.5Very high92.8Very high0 Ų050.1 Ų50.10%027%0.273CS..Hα-helixtrans-65.8-31.4-179.3-64.50000112.6K17 T18 V24 F25 I132 D134 L176 T178K17-V21 PolarHBondContact O-N 2.99Å; T18-V21 VanDerWaalsContact O-CG2 3.3Å; T18-V21 WeakPolarHBondContact O-CG2 3.42Å; V21-V24 PolarHBondContact O-N 2.89Å; V21-F25 WeakPolarHBondContact O-CB 3.32Å; V21-F25 PolarHBondContact O-N 3.36Å; V21-I132 HydrophobicContact CB-CG2 3.87Å; V21-I132 HydrophobicContact CG1-CG2 4.39Å; V21-I132 HydrophobicContact CG2-CG2 4.49Å; V21-D134 HydrophobicContact CG2-CB 4.1Å; V21-L176 HydrophobicContact CG1-CD2 4.23Å; V21-L176 HydrophobicContact CG1-CG 4.3Å; V21-T178 HydrophobicContact CB-CG2 4.42Å; V21-T178 HydrophobicContact CG1-CG2 3.29Å; V21-T178 HydrophobicContact CG2-CG2 4.27Å
22S94.9Very high92.5Very high22 Ų2252.2 Ų52.215%0.15430%0.295CS..Hα-helixtrans-66.1-42.1173-58.70000111.6T18 T19 L20 F25 E26T18-S22 WeakPolarHBondContact O-CB 3.34Å; T18-S22 PolarHBondContact O-N 3.1Å; T18-S22 PolarHBondContact O-OG 3.39Å; T19-S22 PolarHBondContact O-N 3.43Å; L20-S22 VanDerWaalsContact C-N 3.26Å; L20-S22 PolarHBondContact O-N 3.01Å; S22-F25 WeakPolarHBondContact O-CB 3.24Å; S22-F25 PolarHBondContact O-N 3.36Å; S22-E26 PolarHBondContact O-N 2.85Å; S22-E26 VanDerWaalsContact O-N 3.1Å
23H95.2Very high92.3Very high94 Ų9443 Ų4344%0.43526%0.26SS..Hα-helixtrans-66-42.2176.2-72-170.6000111.7T19 L20 F25 E26 E27 V217T19-H23 PolarHBondContact O-CD2 3.36Å; T19-H23 PolarHBondContact O-N 3.34Å; L20-H23 PolarHBondContact O-N 2.87Å; L20-H23 VanDerWaalsContact O-N 3.14Å; H23-F25 VanDerWaalsContact C-N 3.32Å; H23-F25 PolarHBondContact O-N 3.48Å; H23-E26 PolarHBondContact O-N 2.96Å; H23-E27 WeakPolarHBondContact O-CG 3.48Å; H23-E27 PolarHBondContact O-N 2.55Å; H23-V217 HydrophobicContact CB-CG1 3.85Å; H23-V217 HydrophobicContact CB-CG2 4.1Å
24V95.9Very high92.2Very high0 Ų041.9 Ų41.90%025%0.246CC..Hα-helixtrans-59.9-44.5174.6174.20000110.5L20 V21 E26 E27 L28 L176 V217 V220 I224L20-V24 HydrophobicContact CD2-CG2 4.02Å; L20-V24 WeakPolarHBondContact O-CG2 3.34Å; L20-V24 PolarHBondContact O-N 3.35Å; V21-V24 PolarHBondContact O-N 2.89Å; V24-E26 PolarHBondContact O-N 3.19Å; V24-E27 PolarHBondContact O-N 3.23Å; V24-L28 HydrophobicContact CG1-CD1 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 WeakPolarHBondContact O-CG 3.22Å; V24-L28 PolarHBondContact O-N 2.91Å; V24-L176 HydrophobicContact CB-CD2 4.08Å; V24-L176 HydrophobicContact CG1-CD2 3.65Å; V24-L176 HydrophobicContact CG2-CD2 4.43Å; V24-V217 HydrophobicContact CG2-CG1 4.12Å; V24-V220 HydrophobicContact CG1-CG1 4.08Å; V24-V220 HydrophobicContact CG2-CB 4.23Å; V24-V220 HydrophobicContact CG2-CG1 3.99Å; V24-I224 HydrophobicContact CG1-CD1 3.98Å
25F94.8Very high92.3Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-55-48.9175.2176-104.7000112.3V21 S22 H23 E27 L28 L29 A35 F61 Y67 I132V21-F25 WeakPolarHBondContact O-CB 3.32Å; V21-F25 PolarHBondContact O-N 3.36Å; S22-F25 WeakPolarHBondContact O-CB 3.24Å; S22-F25 PolarHBondContact O-N 3.36Å; H23-F25 VanDerWaalsContact C-N 3.32Å; H23-F25 PolarHBondContact O-N 3.48Å; F25-E27 PolarHBondContact O-N 2.79Å; F25-L28 PolarHBondContact O-N 3.33Å; F25-L29 HydrophobicContact CD1-CD1 4.06Å; F25-L29 HydrophobicContact CD1-CG 4.49Å; F25-L29 HydrophobicContact CE1-CD1 3.4Å; F25-L29 VanDerWaalsContact CE1-CD1 3.4Å; F25-L29 HydrophobicContact CE1-CG 4.09Å; F25-L29 HydrophobicContact CE2-CD1 4.31Å; F25-L29 HydrophobicContact CE2-CD2 4.25Å; F25-L29 HydrophobicContact CE2-CG 4.22Å; F25-L29 HydrophobicContact CZ-CD1 3.56Å; F25-L29 HydrophobicContact CZ-CD2 4.13Å; F25-L29 HydrophobicContact CZ-CG 3.96Å; F25-L29 WeakPolarHBondContact O-CG 3.33Å; F25-L29 PolarHBondContact O-N 3.49Å; F25-A35 HydrophobicContact CD2-CB 3.7Å; F25-A35 HydrophobicContact CE2-CB 3.85Å; F25-F61 HydrophobicContact CB-CD1 4.04Å; F25-F61 HydrophobicContact CB-CE1 3.88Å; F25-F61 HydrophobicContact CB-CZ 4.32Å; F25-F61 AromaticContact CD1-CD1 3.47Å; F25-F61 HydrophobicContact CD1-CD1 3.47Å; F25-F61 VanDerWaalsContact CD1-CD1 3.47Å; F25-F61 AromaticContact CD1-CE1 3.88Å; F25-F61 HydrophobicContact CD1-CE1 3.88Å; F25-F61 HydrophobicContact CD1-CG 4.34Å; F25-F61 HydrophobicContact CD2-CB 3.91Å; F25-F61 AromaticContact CD2-CD1 3.83Å; F25-F61 HydrophobicContact CD2-CD1 3.83Å; F25-F61 AromaticContact CD2-CG 3.89Å; F25-F61 HydrophobicContact CD2-CG 3.89Å; F25-F61 HydrophobicContact CE1-CB 4.4Å; F25-F61 AromaticContact CE1-CD1 3.77Å; F25-F61 HydrophobicContact CE1-CD1 3.77Å; F25-F61 HydrophobicContact CE1-CG 4.49Å; F25-F61 HydrophobicContact CE2-CB 3.6Å; F25-F61 HydrophobicContact CE2-CD1 4.13Å; F25-F61 HydrophobicContact CE2-CG 4.08Å; F25-F61 HydrophobicContact CG-CB 4.43Å; F25-F61 AromaticContact CG-CD1 3.48Å; F25-F61 HydrophobicContact CG-CD1 3.48Å; F25-F61 VanDerWaalsContact CG-CD1 3.48Å; F25-F61 AromaticContact CG-CE1 3.83Å; F25-F61 HydrophobicContact CG-CE1 3.83Å; F25-F61 HydrophobicContact CG-CG 4.02Å; F25-F61 HydrophobicContact CZ-CB 3.86Å; F25-F61 HydrophobicContact CZ-CD1 4.08Å; F25-F61 HydrophobicContact CZ-CG 4.36Å; F25-Y67 HydrophobicContact CE1-CE1 4.18Å; F25-I132 HydrophobicContact CB-CD1 3.75Å; F25-I132 HydrophobicContact CD2-CD1 3.97Å; F25-I132 HydrophobicContact CG-CD1 4.36Å
26E94Very high92.3Very high48 Ų4838.1 Ų38.122%0.22421%0.208CC..Hα-helixtrans-63.3-40.7178.9-67.7-60.4137.500112.5S22 H23 V24 L29 K30 R65 Y67S22-E26 PolarHBondContact O-N 2.85Å; S22-E26 VanDerWaalsContact O-N 3.1Å; H23-E26 PolarHBondContact O-N 2.96Å; V24-E26 PolarHBondContact O-N 3.19Å; E26-L29 PolarHBondContact O-N 2.98Å; E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 3.01Å; E26-R65 IonicContact OE2-CZ 3.65Å; E26-R65 IonicContact OE2-NH1 3.87Å; E26-R65 IonicContact OE2-NH2 2.8Å; E26-R65 PolarHBondContact OE2-NH2 3.23Å; E26-Y67 PolarHBondContact OE1-OH 3.13Å
27E93.6Very high92.5Very high66 Ų6637.2 Ų37.231%0.30820%0.199SC..Hα-helixtrans-65-39175.7-71.1-56.1130.100112.2H23 V24 F25 K30 N31 T221H23-E27 WeakPolarHBondContact O-CG 3.48Å; H23-E27 PolarHBondContact O-N 2.55Å; V24-E27 PolarHBondContact O-N 3.23Å; F25-E27 PolarHBondContact O-N 2.79Å; E27-K30 PolarHBondContact O-N 3.48Å; E27-K30 IonicContact OE1-NZ 2.7Å; E27-K30 PolarHBondContact OE1-NZ 3.28Å; E27-N31 PolarHBondContact O-N 2.93Å; E27-N31 VanDerWaalsContact O-N 3.11Å; E27-N31 PolarHBondContact O-ND2 3.35Å; E27-T221 HydrophobicContact CB-CG2 3.83Å
28L92.1Very high92.5Very high0 Ų036.3 Ų36.30%020%0.195CC..Hα-helixtrans-62.8-43174.8-70.2173.1000111.6V24 F25 K30 N31 G32 I33 A35 V130 I132 I224 L225V24-L28 HydrophobicContact CG1-CD1 3.83Å; V24-L28 HydrophobicContact CG1-CG 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 WeakPolarHBondContact O-CG 3.22Å; V24-L28 PolarHBondContact O-N 2.91Å; F25-L28 PolarHBondContact O-N 3.33Å; L28-K30 PolarHBondContact O-N 3.34Å; L28-N31 CarbonylContact O-C 3.55Å; L28-N31 PolarHBondContact O-N 3.46Å; L28-G32 PolarHBondContact O-N 2.74Å; L28-I33 HydrophobicContact CB-CB 4.1Å; L28-I33 HydrophobicContact CD2-CB 4.22Å; L28-I33 HydrophobicContact CD2-CG1 4.16Å; L28-I33 HydrophobicContact CD2-CG2 4.25Å; L28-I33 WeakPolarHBondContact O-CB 3.47Å; L28-I33 PolarHBondContact O-N 2.91Å; L28-A35 HydrophobicContact CB-CB 4.35Å; L28-A35 HydrophobicContact CD1-CB 4.19Å; L28-V130 HydrophobicContact CD1-CB 4.11Å; L28-V130 HydrophobicContact CD1-CG1 3.79Å; L28-V130 HydrophobicContact CD1-CG2 4.12Å; L28-I132 HydrophobicContact CD1-CD1 4.15Å; L28-I224 HydrophobicContact CD1-CD1 4.18Å; L28-I224 HydrophobicContact CD1-CG2 4.48Å; L28-I224 HydrophobicContact CD2-CB 4.17Å; L28-I224 HydrophobicContact CD2-CG2 3.59Å; L28-L225 HydrophobicContact CD2-CD2 4.43Å
29L89.6Confident92.6Very high37 Ų3736 Ų3619%0.19419%0.19CC..Hα-helixtrans-60.8-43.9174.9-71-175.7000112.2F25 E26 N31 G32F25-L29 HydrophobicContact CD1-CD1 4.06Å; F25-L29 HydrophobicContact CD1-CG 4.49Å; F25-L29 HydrophobicContact CE1-CD1 3.4Å; F25-L29 VanDerWaalsContact CE1-CD1 3.4Å; F25-L29 HydrophobicContact CE1-CG 4.09Å; F25-L29 HydrophobicContact CE2-CD1 4.31Å; F25-L29 HydrophobicContact CE2-CD2 4.25Å; F25-L29 HydrophobicContact CE2-CG 4.22Å; F25-L29 HydrophobicContact CZ-CD1 3.56Å; F25-L29 HydrophobicContact CZ-CD2 4.13Å; F25-L29 HydrophobicContact CZ-CG 3.96Å; F25-L29 WeakPolarHBondContact O-CG 3.33Å; F25-L29 PolarHBondContact O-N 3.49Å; E26-L29 PolarHBondContact O-N 2.98Å; L29-N31 PolarHBondContact O-N 2.69Å; L29-G32 PolarHBondContact O-N 2.91Å
30K90.9Very high92.6Very high150 Ų15033.1 Ų33.165%0.65217%0.172SC*.Hα-helixtrans-59.5-33176.1-70.8172.7-169.4171.90112.4E26 E27 L28 G32E26-K30 WeakPolarHBondContact O-CG 3.38Å; E26-K30 PolarHBondContact O-N 3.01Å; E27-K30 PolarHBondContact O-N 3.48Å; E27-K30 IonicContact OE1-NZ 2.7Å; E27-K30 PolarHBondContact OE1-NZ 3.28Å; L28-K30 PolarHBondContact O-N 3.34Å; K30-G32 PolarHBondContact O-N 3.42Å
31N89.2Confident92.5Very high75 Ų7535.6 Ų35.640%0.40118%0.184SC..THydrogen-bonded Turntrans-84.77.4176.3-75-83.3000113.5E27 L28 L29 I33 L225E27-N31 PolarHBondContact O-N 2.93Å; E27-N31 VanDerWaalsContact O-N 3.11Å; E27-N31 PolarHBondContact O-ND2 3.35Å; L28-N31 CarbonylContact O-C 3.55Å; L28-N31 PolarHBondContact O-N 3.46Å; L29-N31 PolarHBondContact O-N 2.69Å; N31-I33 HydrophobicContact CB-CG1 4.14Å; N31-I33 PolarHBondContact O-N 2.76Å; N31-L225 HydrophobicContact CB-CD1 4.5Å; N31-L225 HydrophobicContact CB-CD2 3.85Å
32G86.8Confident92.4Very high45 Ų4539.5 Ų39.546%0.46420%0.202SC..THydrogen-bonded Turntrans67.719.7-179.800000113.8L28 L29 K30 N126L28-G32 PolarHBondContact O-N 2.74Å; L29-G32 PolarHBondContact O-N 2.91Å; K30-G32 PolarHBondContact O-N 3.42Å; G32-N126 PolarHBondContact O-ND2 2.88Å
33I87.3Confident92.4Very high3 Ų339.9 Ų39.92%0.01520%0.203CC..  trans-81.4134.2177.2-54.1-56.5000109.2L28 N31 A35 L128 V130 L225 K228L28-I33 HydrophobicContact CB-CB 4.1Å; L28-I33 HydrophobicContact CD2-CB 4.22Å; L28-I33 HydrophobicContact CD2-CG1 4.16Å; L28-I33 HydrophobicContact CD2-CG2 4.25Å; L28-I33 WeakPolarHBondContact O-CB 3.47Å; L28-I33 PolarHBondContact O-N 2.91Å; N31-I33 HydrophobicContact CB-CG1 4.14Å; N31-I33 PolarHBondContact O-N 2.76Å; I33-A35 PolarHBondContact O-N 3.44Å; I33-L128 HydrophobicContact CD1-CD2 4.32Å; I33-L128 HydrophobicContact CG2-CD2 4.2Å; I33-L128 HydrophobicContact CG2-CG 4.34Å; I33-V130 HydrophobicContact CG2-CG2 3.66Å; I33-L225 HydrophobicContact CD1-CD2 3.91Å; I33-L225 HydrophobicContact CG1-CD2 3.62Å; I33-K228 HydrophobicContact CD1-CD 3.85Å
34H86Confident92.3Very high80 Ų8041.4 Ų41.437%0.3721%0.205SC..EExtended strand (participates in β ladder)trans-76.5110.1172.7-174.359.6000109.4V36 V130H34-V36 WeakPolarHBondContact NE2-CG1 3.43Å; H34-V130 PolarHBondContact O-N 2.87Å
35A90.2Very high92.1Very high0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-119.914017600000109.7F25 L28 I33 V130 I132F25-A35 HydrophobicContact CD2-CB 3.7Å; F25-A35 HydrophobicContact CE2-CB 3.85Å; L28-A35 HydrophobicContact CB-CB 4.35Å; L28-A35 HydrophobicContact CD1-CB 4.19Å; I33-A35 PolarHBondContact O-N 3.44Å; A35-V130 VanDerWaalsContact CA-O 3.31Å; A35-V130 WeakPolarHBondContact CA-O 3.34Å; A35-V130 HydrophobicContact CB-CB 4.12Å; A35-I132 HydrophobicContact CB-CD1 4.33Å
36V91.8Very high91.8Very high21 Ų2152.2 Ų52.213%0.12725%0.253CS..EExtended strand (participates in β ladder)trans-143.6168.5-178-70.50000109.5H34 I110 I129 V130 C131 I132H34-V36 WeakPolarHBondContact NE2-CG1 3.43Å; V36-I110 HydrophobicContact CG2-CD1 3.4Å; V36-I110 HydrophobicContact CG2-CG1 3.64Å; V36-I129 HydrophobicContact CG2-CG2 4.42Å; V36-V130 PolarHBondContact N-O 3.27Å; V36-C131 CarbonylContact O-C 3.36Å; V36-C131 WeakPolarHBondContact O-CA 3.44Å; V36-I132 PolarHBondContact O-N 2.91Å
37G94.6Very high91.3Very high0 Ų056.1 Ų56.10%027%0.267CS..EExtended strand (participates in β ladder)trans130.7-145.2177.600000110.9L60 F61 C106 I132G37-L60 CarbonylContact O-C 3.54Å; G37-L60 WeakPolarHBondContact O-CA 3.32Å; G37-F61 PolarHBondContact O-N 3.35Å; G37-C106 VanDerWaalsContact CA-SG 3.57Å; G37-I132 CarbonylContact C-O 3.58Å; G37-I132 WeakPolarHBondContact CA-O 3.2Å
38F96.5Very high90.8Very high0 Ų059.5 Ų59.50%030%0.298CS..EExtended strand (participates in β ladder)trans-151.8160.5179.162.9-101.4000113.6V58 V59 L60 F61 F99 A103 I132 I133 D134 F146F38-V58 HydrophobicContact CB-CG2 3.66Å; F38-V58 HydrophobicContact CD1-CG2 4.19Å; F38-V58 HydrophobicContact CD2-CG2 3.52Å; F38-V58 HydrophobicContact CE2-CG2 4.16Å; F38-V58 HydrophobicContact CG-CG2 3.53Å; F38-V59 CarbonylContact C-O 3.56Å; F38-V59 VanDerWaalsContact CA-O 3.27Å; F38-V59 WeakPolarHBondContact CA-O 3.35Å; F38-V59 WeakPolarHBondContact CB-O 3.32Å; F38-L60 HydrophobicContact CB-CD2 3.8Å; F38-F61 VanDerWaalsContact C-CD2 3.48Å; F38-F61 VanDerWaalsContact C-CE2 3.45Å; F38-F61 WeakPolarHBondContact O-CE2 3.37Å; F38-F99 HydrophobicContact CE1-CE2 4.32Å; F38-F99 HydrophobicContact CE1-CZ 4.49Å; F38-F99 HydrophobicContact CE2-CE2 4.23Å; F38-F99 AromaticContact CZ-CE2 3.85Å; F38-F99 HydrophobicContact CZ-CE2 3.85Å; F38-F99 HydrophobicContact CZ-CZ 4.03Å; F38-A103 HydrophobicContact CD1-CB 4.21Å; F38-A103 HydrophobicContact CE1-CB 3.8Å; F38-I132 PolarHBondContact N-O 3.12Å; F38-I133 HydrophobicContact CE1-CG2 4.15Å; F38-I133 HydrophobicContact CE2-CG2 4.04Å; F38-I133 HydrophobicContact CZ-CG2 3.66Å; F38-D134 WeakPolarHBondContact CE2-O 3.42Å; F38-D134 PolarHBondContact O-N 2.67Å; F38-F146 AromaticContact CE1-CE2 3.73Å; F38-F146 HydrophobicContact CE1-CE2 3.73Å; F38-F146 HydrophobicContact CE1-CZ 4.38Å; F38-F146 AromaticContact CZ-CE2 3.65Å; F38-F146 HydrophobicContact CZ-CE2 3.65Å; F38-F146 AromaticContact CZ-CZ 3.87Å; F38-F146 HydrophobicContact CZ-CZ 3.87Å
39K95.7Very high90.4Very high35 Ų3563.5 Ų63.515%0.15234%0.339CS..EExtended strand (participates in β ladder)trans-113.4159.216559.7175.3171.11670112T18 E41 V59 F61 D134T18-K39 HydrophobicContact CG2-CB 4.3Å; K39-E41 HydrophobicContact CD-CG 4.26Å; K39-E41 WeakPolarHBondContact CE-OE1 3.42Å; K39-E41 HydrophobicContact CG-CG 4.45Å; K39-E41 IonicContact NZ-OE1 2.68Å; K39-E41 PolarHBondContact NZ-OE1 3.25Å; K39-V59 HydrophobicContact CG-CB 4.02Å; K39-V59 PolarHBondContact N-O 3.01Å; K39-V59 PolarHBondContact O-N 2.93Å; K39-F61 HydrophobicContact CB-CE1 4.38Å; K39-F61 HydrophobicContact CB-CE2 3.83Å; K39-F61 HydrophobicContact CB-CZ 3.63Å; K39-F61 HydrophobicContact CD-CE1 4.05Å; K39-F61 HydrophobicContact CD-CZ 4.06Å; K39-F61 HydrophobicContact CG-CE1 4.23Å; K39-F61 HydrophobicContact CG-CE2 4.41Å; K39-F61 HydrophobicContact CG-CZ 3.98Å; K39-D134 HydrophobicContact CB-CB 4.07Å
40T94.2Very high90.1Very high15 Ų1569.6 Ų69.69%0.09236%0.364CS..EExtended strand (participates in β ladder)trans-109123.7174.4-60.60000109.4F56 D57 L72 D134T40-F56 HydrophobicContact CG2-CB 3.99Å; T40-F56 HydrophobicContact CG2-CD1 4.26Å; T40-D57 CarbonylContact C-O 3.55Å; T40-D57 VanDerWaalsContact CA-O 3.31Å; T40-D57 WeakPolarHBondContact CA-O 3.36Å; T40-L72 HydrophobicContact CG2-CD2 3.89Å; T40-D134 PolarHBondContact N-OD2 3.08Å
41E94.4Very high90Very high57 Ų5764.8 Ų64.827%0.26635%0.349SS..EExtended strand (participates in β ladder)trans-113.3138.3-178.7-68.5-168.8167.600112K39 F56 D57 V59 R69K39-E41 HydrophobicContact CD-CG 4.26Å; K39-E41 WeakPolarHBondContact CE-OE1 3.42Å; K39-E41 HydrophobicContact CG-CG 4.45Å; K39-E41 IonicContact NZ-OE1 2.68Å; K39-E41 PolarHBondContact NZ-OE1 3.25Å; E41-F56 CarbonylContact O-C 3.57Å; E41-F56 VanDerWaalsContact O-CA 3.28Å; E41-F56 WeakPolarHBondContact O-CA 3.43Å; E41-D57 PolarHBondContact N-O 3.37Å; E41-D57 PolarHBondContact O-N 3.25Å; E41-V59 HydrophobicContact CB-CG2 4.46Å; E41-V59 HydrophobicContact CG-CG2 4.14Å; E41-R69 IonicContact OE2-CZ 3.15Å; E41-R69 IonicContact OE2-NH1 3.64Å; E41-R69 IonicContact OE2-NH2 3.57Å; E41-R69 PolarHBondContact OE2-NH2 3.1Å
42E93.4Very high90.1Very high81 Ų8163.3 Ų63.338%0.37935%0.348SS..EExtended strand (participates in β ladder)trans-72.8129.5174.7-62-170-175.100111.1R44 R53 F56E42-R44 HydrophobicContact CB-CG 4.46Å; E42-R44 IonicContact OE2-CZ 3.19Å; E42-R44 IonicContact OE2-NE 2.81Å; E42-R44 PolarHBondContact OE2-NE 2.92Å; E42-R44 IonicContact OE2-NH2 2.71Å; E42-R44 PolarHBondContact OE2-NH2 3.44Å; E42-R53 VanDerWaalsContact CD-NE 3.31Å; E42-R53 IonicContact OE1-CZ 3.22Å; E42-R53 VanDerWaalsContact OE1-CZ 3.22Å; E42-R53 IonicContact OE1-NE 3.63Å; E42-R53 IonicContact OE1-NH1 3.94Å; E42-R53 IonicContact OE1-NH2 2.66Å; E42-R53 PolarHBondContact OE1-NH2 3.37Å; E42-R53 IonicContact OE2-CZ 3.24Å; E42-R53 VanDerWaalsContact OE2-CZ 3.24Å; E42-R53 IonicContact OE2-NE 2.91Å; E42-R53 PolarHBondContact OE2-NE 2.95Å; E42-R53 IonicContact OE2-NH2 2.89Å; E42-R53 PolarHBondContact OE2-NH2 3.28Å; E42-F56 HydrophobicContact CG-CD1 4.11Å; E42-F56 HydrophobicContact CG-CE1 3.86Å
43V94.2Very high90.3Very high30 Ų3065.2 Ų65.218%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-95118.1170-176.70000108.2L54 G55 D57V43-L54 HydrophobicContact CG1-CB 4.34Å; V43-L54 PolarHBondContact O-N 3.28Å; V43-G55 PolarHBondContact N-O 3.33Å; V43-G55 PolarHBondContact O-N 3.03Å; V43-D57 HydrophobicContact CG2-CB 4.19Å; V43-D57 VanDerWaalsContact CG2-CG 3.49Å; V43-D57 VanDerWaalsContact CG2-OD2 3.27Å; V43-D57 WeakPolarHBondContact CG2-OD2 3.48Å
44R93.7Very high90.6Very high127 Ų12767.8 Ų67.848%0.47935%0.354SS..EExtended strand (participates in β ladder)trans-125.5147.2-178.3-68.5176.7172.3-150.17.6110.2E42 S51 A52 R53E42-R44 HydrophobicContact CB-CG 4.46Å; E42-R44 IonicContact OE2-CZ 3.19Å; E42-R44 IonicContact OE2-NE 2.81Å; E42-R44 PolarHBondContact OE2-NE 2.92Å; E42-R44 IonicContact OE2-NH2 2.71Å; E42-R44 PolarHBondContact OE2-NH2 3.44Å; R44-S51 WeakPolarHBondContact CD-OG 3.43Å; R44-A52 CarbonylContact C-O 3.59Å; R44-A52 VanDerWaalsContact CA-O 3.28Å; R44-A52 WeakPolarHBondContact CA-O 3.46Å; R44-R53 HydrophobicContact CG-CB 4.37Å
45Q90.4Very high91.1Very high71 Ų7164 Ų6433%0.33234%0.337SS..EExtended strand (participates in β ladder)trans-120.9134.9173.8-167.7171.221.800110.3Y47 S51 A52 L54Q45-Y47 HydrophobicContact CB-CD2 4.33Å; Q45-Y47 HydrophobicContact CB-CE2 3.81Å; Q45-Y47 HydrophobicContact CG-CD2 4.01Å; Q45-Y47 HydrophobicContact CG-CE1 4.43Å; Q45-Y47 HydrophobicContact CG-CE2 3.41Å; Q45-Y47 VanDerWaalsContact CG-CE2 3.41Å; Q45-Y47 PolarHBondContact NE2-OH 3.32Å; Q45-Y47 PolarHBondContact OE1-OH 3.11Å; Q45-S51 WeakPolarHBondContact O-CA 3.39Å; Q45-A52 PolarHBondContact N-O 3.49Å; Q45-A52 PolarHBondContact O-N 3.28Å; Q45-L54 HydrophobicContact CB-CD1 3.66Å; Q45-L54 HydrophobicContact CB-CD2 4.31Å; Q45-L54 HydrophobicContact CB-CG 3.88Å; Q45-L54 HydrophobicContact CG-CD1 4.46Å
46F88.8Confident91.4Very high156 Ų15665.2 Ų65.268%0.68434%0.342SS*.EExtended strand (participates in β ladder)trans-97.4123.7-179.8-66.9-91000110K50F46-K50 CarbonylContact C-O 3.58Å; F46-K50 WeakPolarHBondContact CA-O 3.31Å
47Y83.2Confident91.6Very high130 Ų13064.7 Ų64.751%0.5134%0.338SS..EExtended strand (participates in β ladder)trans-129.4117.5175.8-67-79.7000108.9Q45 G49 K50Q45-Y47 HydrophobicContact CB-CD2 4.33Å; Q45-Y47 HydrophobicContact CB-CE2 3.81Å; Q45-Y47 HydrophobicContact CG-CD2 4.01Å; Q45-Y47 HydrophobicContact CG-CE1 4.43Å; Q45-Y47 HydrophobicContact CG-CE2 3.41Å; Q45-Y47 VanDerWaalsContact CG-CE2 3.41Å; Q45-Y47 PolarHBondContact NE2-OH 3.32Å; Q45-Y47 PolarHBondContact OE1-OH 3.11Å; Y47-G49 VanDerWaalsContact C-N 3.27Å; Y47-G49 PolarHBondContact O-N 2.87Å; Y47-G49 VanDerWaalsContact O-N 3.12Å; Y47-K50 PolarHBondContact N-O 3.17Å; Y47-K50 PolarHBondContact O-N 2.56Å
48S83.1Confident91.7Very high136 Ų13664.7 Ų64.795%0.95134%0.338SS*.THydrogen-bonded Turntrans47.546.5171.8-520000113.9K50S48-K50 VanDerWaalsContact C-N 3.3Å; S48-K50 PolarHBondContact O-N 3.02Å
49G84.1Confident91.7Very high84 Ų8464.9 Ų64.987%0.86634%0.34SS*.THydrogen-bonded Turntrans80.3-3.7-179.100000116Y47Y47-G49 VanDerWaalsContact C-N 3.27Å; Y47-G49 PolarHBondContact O-N 2.87Å; Y47-G49 VanDerWaalsContact O-N 3.12Å
50K84.7Confident91.7Very high165 Ų16564.4 Ų64.472%0.71734%0.339SS*.EExtended strand (participates in β ladder)trans-104139.4174.5-64.4-178.7-179.1177.20110.7F46 Y47 S48F46-K50 CarbonylContact C-O 3.58Å; F46-K50 WeakPolarHBondContact CA-O 3.31Å; Y47-K50 PolarHBondContact N-O 3.17Å; Y47-K50 PolarHBondContact O-N 2.56Å; S48-K50 VanDerWaalsContact C-N 3.3Å; S48-K50 PolarHBondContact O-N 3.02Å
51S87.5Confident91.5Very high49 Ų4964 Ų6434%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-103.3119174.7164.10000110R44 Q45R44-S51 WeakPolarHBondContact CD-OG 3.43Å; Q45-S51 WeakPolarHBondContact O-CA 3.39Å
52A90.8Very high90.7Very high45 Ų4563.1 Ų63.137%0.37233%0.333SS..EExtended strand (participates in β ladder)trans-100.7128.6171.600000110.2R44 Q45 L54R44-A52 CarbonylContact C-O 3.59Å; R44-A52 VanDerWaalsContact CA-O 3.28Å; R44-A52 WeakPolarHBondContact CA-O 3.46Å; Q45-A52 PolarHBondContact N-O 3.49Å; Q45-A52 PolarHBondContact O-N 3.28Å; A52-L54 PolarHBondContact O-N 3.28Å
53R92.9Very high89.6Confident84 Ų8461.9 Ų61.932%0.31733%0.333SS..EExtended strand (participates in β ladder)trans-74.2118.5171.4-172.9-176.9-63.5166.7-0.5108.7E42 R44 I75 Y92E42-R53 VanDerWaalsContact CD-NE 3.31Å; E42-R53 IonicContact OE1-CZ 3.22Å; E42-R53 VanDerWaalsContact OE1-CZ 3.22Å; E42-R53 IonicContact OE1-NE 3.63Å; E42-R53 IonicContact OE1-NH1 3.94Å; E42-R53 IonicContact OE1-NH2 2.66Å; E42-R53 PolarHBondContact OE1-NH2 3.37Å; E42-R53 IonicContact OE2-CZ 3.24Å; E42-R53 VanDerWaalsContact OE2-CZ 3.24Å; E42-R53 IonicContact OE2-NE 2.91Å; E42-R53 PolarHBondContact OE2-NE 2.95Å; E42-R53 IonicContact OE2-NH2 2.89Å; E42-R53 PolarHBondContact OE2-NH2 3.28Å; R44-R53 HydrophobicContact CG-CB 4.37Å; R53-I75 WeakPolarHBondContact O-CD1 3.3Å; R53-Y92 WeakPolarHBondContact CD-OH 3.31Å
54L93.2Very high88.6Confident57 Ų5764.3 Ų64.330%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-91.6-22.9177.7-63.7-173.6000112.9V43 Q45 A52 R74 I75V43-L54 HydrophobicContact CG1-CB 4.34Å; V43-L54 PolarHBondContact O-N 3.28Å; Q45-L54 HydrophobicContact CB-CD1 3.66Å; Q45-L54 HydrophobicContact CB-CD2 4.31Å; Q45-L54 HydrophobicContact CB-CG 3.88Å; Q45-L54 HydrophobicContact CG-CD1 4.46Å; A52-L54 PolarHBondContact O-N 3.28Å; L54-R74 CarbonylContact O-C 3.52Å; L54-R74 WeakPolarHBondContact O-CA 3.35Å; L54-I75 PolarHBondContact O-N 3.33Å
55G95.2Very high87.5Confident0 Ų065.3 Ų65.30%036%0.355CS..EExtended strand (participates in β ladder)trans161.4-153.6-177.200000113.5V43 A73V43-G55 PolarHBondContact N-O 3.33Å; V43-G55 PolarHBondContact O-N 3.03Å; G55-A73 CarbonylContact C-O 3.57Å; G55-A73 WeakPolarHBondContact CA-O 3.37Å
56F96.7Very high86.9Confident27 Ų2766.7 Ų66.712%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-142.1143.2-174.6-55.5-90.3000110.5T40 E41 E42 L72 A73 R74 Y92 M139T40-F56 HydrophobicContact CG2-CB 3.99Å; T40-F56 HydrophobicContact CG2-CD1 4.26Å; E41-F56 CarbonylContact O-C 3.57Å; E41-F56 VanDerWaalsContact O-CA 3.28Å; E41-F56 WeakPolarHBondContact O-CA 3.43Å; E42-F56 HydrophobicContact CG-CD1 4.11Å; E42-F56 HydrophobicContact CG-CE1 3.86Å; F56-L72 HydrophobicContact CB-CB 4.42Å; F56-L72 HydrophobicContact CB-CD2 4.22Å; F56-L72 WeakPolarHBondContact O-CB 3.43Å; F56-L72 PolarHBondContact O-N 3.08Å; F56-A73 HydrophobicContact CD2-CB 4.45Å; F56-A73 PolarHBondContact N-O 3Å; F56-A73 PolarHBondContact O-N 3.24Å; F56-R74 VanDerWaalsContact C-NH1 3.31Å; F56-R74 PolarHBondContact O-NH1 3.45Å; F56-Y92 HydrophobicContact CD2-CD1 4.42Å; F56-Y92 HydrophobicContact CE2-CD1 4.13Å; F56-Y92 HydrophobicContact CE2-CD2 4.06Å; F56-Y92 AromaticContact CE2-CE1 3.94Å; F56-Y92 HydrophobicContact CE2-CE1 3.94Å; F56-Y92 AromaticContact CE2-CE2 3.88Å; F56-Y92 HydrophobicContact CE2-CE2 3.88Å; F56-Y92 HydrophobicContact CE2-CG 4.19Å; F56-Y92 AromaticContact CE2-CZ 3.82Å; F56-M139 HydrophobicContact CD2-CE 4.07Å; F56-M139 HydrophobicContact CD2-SD 3.73Å; F56-M139 HydrophobicContact CE2-CE 3.72Å; F56-M139 HydrophobicContact CE2-SD 3.98Å; F56-M139 HydrophobicContact CG-SD 4.45Å
57D97Very high86.8Confident9 Ų962.2 Ų62.25%0.04835%0.348CS..EExtended strand (participates in β ladder)trans-116.7145.1173.1-75.4-11.5000110.9T40 E41 V43 R69 A70 S71 R74T40-D57 CarbonylContact C-O 3.55Å; T40-D57 VanDerWaalsContact CA-O 3.31Å; T40-D57 WeakPolarHBondContact CA-O 3.36Å; E41-D57 PolarHBondContact N-O 3.37Å; E41-D57 PolarHBondContact O-N 3.25Å; V43-D57 HydrophobicContact CG2-CB 4.19Å; V43-D57 VanDerWaalsContact CG2-CG 3.49Å; V43-D57 VanDerWaalsContact CG2-OD2 3.27Å; V43-D57 WeakPolarHBondContact CG2-OD2 3.48Å; D57-R69 HydrophobicContact CB-CG 4.07Å; D57-R69 VanDerWaalsContact CG-NH1 3.33Å; D57-R69 WeakPolarHBondContact OD2-CD 3.44Å; D57-R69 IonicContact OD2-CZ 2.65Å; D57-R69 IonicContact OD2-NE 2.65Å; D57-R69 IonicContact OD2-NH1 3.74Å; D57-R69 PolarHBondContact OD2-NH1 3Å; D57-A70 WeakPolarHBondContact CA-O 3.39Å; D57-A70 WeakPolarHBondContact CB-O 3.42Å; D57-S71 WeakPolarHBondContact OD1-CA 3.3Å; D57-R74 VanDerWaalsContact CG-NH2 3.27Å; D57-R74 IonicContact OD1-CZ 3.06Å; D57-R74 IonicContact OD1-NH1 2.71Å; D57-R74 PolarHBondContact OD1-NH1 2.91Å; D57-R74 IonicContact OD1-NH2 2.61Å; D57-R74 PolarHBondContact OD1-NH2 3Å; D57-R74 IonicContact OD2-NH2 3.17Å; D57-R74 PolarHBondContact OD2-NH2 2.79Å
58V96.6Very high87.2Confident0 Ų058.2 Ų58.20%034%0.337CS..EExtended strand (participates in β ladder)trans-89.8133.3164.361.70000108.4F38 R69 A70 F99 L102F38-V58 HydrophobicContact CB-CG2 3.66Å; F38-V58 HydrophobicContact CD1-CG2 4.19Å; F38-V58 HydrophobicContact CD2-CG2 3.52Å; F38-V58 HydrophobicContact CE2-CG2 4.16Å; F38-V58 HydrophobicContact CG-CG2 3.53Å; V58-R69 WeakPolarHBondContact O-CA 3.5Å; V58-A70 HydrophobicContact CG1-CB 3.89Å; V58-A70 PolarHBondContact N-O 3.11Å; V58-A70 PolarHBondContact O-N 3.29Å; V58-F99 HydrophobicContact CB-CD2 4.09Å; V58-F99 HydrophobicContact CG1-CD2 3.99Å; V58-F99 HydrophobicContact CG2-CD2 4.26Å; V58-F99 HydrophobicContact CG2-CE2 4.26Å; V58-L102 HydrophobicContact CG1-CD1 4.29Å
59V96.3Very high87.8Confident4 Ų457.5 Ų57.52%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-128.6116.1179.9-177.40000107.7F38 K39 E41 F61 Y67 P68 R69F38-V59 CarbonylContact C-O 3.56Å; F38-V59 VanDerWaalsContact CA-O 3.27Å; F38-V59 WeakPolarHBondContact CA-O 3.35Å; F38-V59 WeakPolarHBondContact CB-O 3.32Å; K39-V59 HydrophobicContact CG-CB 4.02Å; K39-V59 PolarHBondContact N-O 3.01Å; K39-V59 PolarHBondContact O-N 2.93Å; E41-V59 HydrophobicContact CB-CG2 4.46Å; E41-V59 HydrophobicContact CG-CG2 4.14Å; V59-F61 PolarHBondContact O-N 3.02Å; V59-Y67 HydrophobicContact CG1-CD1 4.33Å; V59-Y67 HydrophobicContact CG1-CG 4.47Å; V59-P68 WeakPolarHBondContact CA-O 3.49Å; V59-R69 HydrophobicContact CG2-CB 4.46Å; V59-R69 HydrophobicContact CG2-CG 4.44Å
60L94.9Very high88.4Confident25 Ų2554 Ų5413%0.13128%0.277CS..EExtended strand (participates in β ladder)trans-67.2138.1179.6-62-172000110.4G37 F38 D62 Y67 P68 L102 C106G37-L60 CarbonylContact O-C 3.54Å; G37-L60 WeakPolarHBondContact O-CA 3.32Å; F38-L60 HydrophobicContact CB-CD2 3.8Å; L60-D62 PolarHBondContact O-N 3.31Å; L60-Y67 VanDerWaalsContact O-CD1 3.3Å; L60-Y67 WeakPolarHBondContact O-CD1 3.23Å; L60-P68 HydrophobicContact CB-CG 3.82Å; L60-P68 HydrophobicContact CD1-CG 3.84Å; L60-P68 HydrophobicContact CG-CG 4Å; L60-P68 PolarHBondContact N-O 2.84Å; L60-L102 HydrophobicContact CD1-CB 4.19Å; L60-L102 HydrophobicContact CD1-CD2 4.07Å; L60-L102 HydrophobicContact CD2-CB 3.92Å; L60-L102 HydrophobicContact CG-CB 4.02Å; L60-L102 HydrophobicContact CG-CD1 4.27Å; L60-L102 HydrophobicContact CG-CD2 4.4Å; L60-L102 HydrophobicContact CG-CG 4.48Å; L60-C106 HydrophobicContact CD1-CB 4.46Å; L60-C106 HydrophobicContact CD2-CB 4.12Å
61F91.3Very high88.9Confident8 Ų847.4 Ų47.44%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-72.5109.8161.9-75.8-59.5000108F25 G37 F38 K39 V59 Y67 I132F25-F61 HydrophobicContact CB-CD1 4.04Å; F25-F61 HydrophobicContact CB-CE1 3.88Å; F25-F61 HydrophobicContact CB-CZ 4.32Å; F25-F61 AromaticContact CD1-CD1 3.47Å; F25-F61 HydrophobicContact CD1-CD1 3.47Å; F25-F61 VanDerWaalsContact CD1-CD1 3.47Å; F25-F61 AromaticContact CD1-CE1 3.88Å; F25-F61 HydrophobicContact CD1-CE1 3.88Å; F25-F61 HydrophobicContact CD1-CG 4.34Å; F25-F61 HydrophobicContact CD2-CB 3.91Å; F25-F61 AromaticContact CD2-CD1 3.83Å; F25-F61 HydrophobicContact CD2-CD1 3.83Å; F25-F61 AromaticContact CD2-CG 3.89Å; F25-F61 HydrophobicContact CD2-CG 3.89Å; F25-F61 HydrophobicContact CE1-CB 4.4Å; F25-F61 AromaticContact CE1-CD1 3.77Å; F25-F61 HydrophobicContact CE1-CD1 3.77Å; F25-F61 HydrophobicContact CE1-CG 4.49Å; F25-F61 HydrophobicContact CE2-CB 3.6Å; F25-F61 HydrophobicContact CE2-CD1 4.13Å; F25-F61 HydrophobicContact CE2-CG 4.08Å; F25-F61 HydrophobicContact CG-CB 4.43Å; F25-F61 AromaticContact CG-CD1 3.48Å; F25-F61 HydrophobicContact CG-CD1 3.48Å; F25-F61 VanDerWaalsContact CG-CD1 3.48Å; F25-F61 AromaticContact CG-CE1 3.83Å; F25-F61 HydrophobicContact CG-CE1 3.83Å; F25-F61 HydrophobicContact CG-CG 4.02Å; F25-F61 HydrophobicContact CZ-CB 3.86Å; F25-F61 HydrophobicContact CZ-CD1 4.08Å; F25-F61 HydrophobicContact CZ-CG 4.36Å; G37-F61 PolarHBondContact O-N 3.35Å; F38-F61 VanDerWaalsContact C-CD2 3.48Å; F38-F61 VanDerWaalsContact C-CE2 3.45Å; F38-F61 WeakPolarHBondContact O-CE2 3.37Å; K39-F61 HydrophobicContact CB-CE1 4.38Å; K39-F61 HydrophobicContact CB-CE2 3.83Å; K39-F61 HydrophobicContact CB-CZ 3.63Å; K39-F61 HydrophobicContact CD-CE1 4.05Å; K39-F61 HydrophobicContact CD-CZ 4.06Å; K39-F61 HydrophobicContact CG-CE1 4.23Å; K39-F61 HydrophobicContact CG-CE2 4.41Å; K39-F61 HydrophobicContact CG-CZ 3.98Å; V59-F61 PolarHBondContact O-N 3.02Å; F61-Y67 HydrophobicContact CD1-CE1 4.34Å; F61-I132 HydrophobicContact CD2-CB 4Å; F61-I132 HydrophobicContact CD2-CG2 4.07Å; F61-I132 HydrophobicContact CE2-CB 4.05Å; F61-I132 HydrophobicContact CE2-CG2 3.58Å; F61-I132 HydrophobicContact CZ-CG2 4.42Å
62D77.1Confident89.4Confident37 Ų3745 Ų4520%0.19824%0.235CC..  trans-121.7125.8-179.2169.326.9000109.6L60 S64 R65 T66L60-D62 PolarHBondContact O-N 3.31Å; D62-S64 VanDerWaalsContact CG-OG 3.26Å; D62-S64 PolarHBondContact O-N 3.07Å; D62-S64 PolarHBondContact OD1-N 3.28Å; D62-S64 PolarHBondContact OD1-OG 3.5Å; D62-S64 PolarHBondContact OD2-OG 2.94Å; D62-R65 WeakPolarHBondContact O-CA 3.25Å; D62-R65 PolarHBondContact O-N 3.48Å; D62-T66 WeakPolarHBondContact OD2-CB 3.3Å; D62-T66 PolarHBondContact OD2-N 3.14Å; D62-T66 PolarHBondContact OD2-OG1 3.43Å
63S70.1Confident89.6Confident55 Ų5542.9 Ų42.939%0.38522%0.217SC..THydrogen-bonded Turntrans-62.1-27177.1-480000112.4R65S63-R65 PolarHBondContact O-N 3.39Å
64S74Confident89.7Confident82 Ų8242.1 Ų42.157%0.57321%0.214SC*.THydrogen-bonded Turntrans-77.7-2.2174.188.60000113.3D62 T66D62-S64 VanDerWaalsContact CG-OG 3.26Å; D62-S64 PolarHBondContact O-N 3.07Å; D62-S64 PolarHBondContact OD1-N 3.28Å; D62-S64 PolarHBondContact OD1-OG 3.5Å; D62-S64 PolarHBondContact OD2-OG 2.94Å; S64-T66 PolarHBondContact O-N 3.36Å; S64-T66 WeakPolarHBondContact OG-CG2 3.38Å
65R70Confident89.6Confident148 Ų14842.4 Ų42.456%0.55822%0.215SC*.SBendtrans60.822.6178-57.8-178.2172.9-122.7-16.1113.8E26 D62 S63 Y67E26-R65 IonicContact OE2-CZ 3.65Å; E26-R65 IonicContact OE2-NH1 3.87Å; E26-R65 IonicContact OE2-NH2 2.8Å; E26-R65 PolarHBondContact OE2-NH2 3.23Å; D62-R65 WeakPolarHBondContact O-CA 3.25Å; D62-R65 PolarHBondContact O-N 3.48Å; S63-R65 PolarHBondContact O-N 3.39Å; R65-Y67 VanDerWaalsContact C-N 3.29Å; R65-Y67 HydrophobicContact CB-CD2 4.28Å; R65-Y67 HydrophobicContact CB-CE2 3.74Å; R65-Y67 HydrophobicContact CG-CE2 4.14Å; R65-Y67 WeakPolarHBondContact O-CD2 3.42Å
66T78.6Confident88.9Confident100 Ų10046 Ų4661%0.61323%0.234SC*.  trans-76.1-22.4172.566.30000112.1D62 S64D62-T66 WeakPolarHBondContact OD2-CB 3.3Å; D62-T66 PolarHBondContact OD2-N 3.14Å; D62-T66 PolarHBondContact OD2-OG1 3.43Å; S64-T66 PolarHBondContact O-N 3.36Å; S64-T66 WeakPolarHBondContact OG-CG2 3.38Å
67Y85.3Confident87.5Confident62 Ų6250.5 Ų50.524%0.24327%0.269CS..  trans41.961177.4-63.6-77.9000112.9F25 E26 V59 L60 F61 R65 R69F25-Y67 HydrophobicContact CE1-CE1 4.18Å; E26-Y67 PolarHBondContact OE1-OH 3.13Å; V59-Y67 HydrophobicContact CG1-CD1 4.33Å; V59-Y67 HydrophobicContact CG1-CG 4.47Å; L60-Y67 VanDerWaalsContact O-CD1 3.3Å; L60-Y67 WeakPolarHBondContact O-CD1 3.23Å; F61-Y67 HydrophobicContact CD1-CE1 4.34Å; R65-Y67 VanDerWaalsContact C-N 3.29Å; R65-Y67 HydrophobicContact CB-CD2 4.28Å; R65-Y67 HydrophobicContact CB-CE2 3.74Å; R65-Y67 HydrophobicContact CG-CE2 4.14Å; R65-Y67 WeakPolarHBondContact O-CD2 3.42Å; Y67-R69 PolarHBondContact O-N 3.3Å
68P92.7Very high85.7Confident45 Ų4557.5 Ų57.529%0.29230%0.301SS..  trans-58.2140.3-17926.4-34000110.2V59 L60 L102V59-P68 WeakPolarHBondContact CA-O 3.49Å; L60-P68 HydrophobicContact CB-CG 3.82Å; L60-P68 HydrophobicContact CD1-CG 3.84Å; L60-P68 HydrophobicContact CG-CG 4Å; L60-P68 PolarHBondContact N-O 2.84Å; P68-L102 HydrophobicContact CB-CD2 4.25Å
69R95.4Very high83.8Confident121 Ų12162.2 Ų62.246%0.45733%0.334SS..EExtended strand (participates in β ladder)trans-122.5141.8-169.5169.3-177.3-67.5-96.7-6.9110.6E41 D57 V58 V59 Y67 L102E41-R69 IonicContact OE2-CZ 3.15Å; E41-R69 IonicContact OE2-NH1 3.64Å; E41-R69 IonicContact OE2-NH2 3.57Å; E41-R69 PolarHBondContact OE2-NH2 3.1Å; D57-R69 HydrophobicContact CB-CG 4.07Å; D57-R69 VanDerWaalsContact CG-NH1 3.33Å; D57-R69 WeakPolarHBondContact OD2-CD 3.44Å; D57-R69 IonicContact OD2-CZ 2.65Å; D57-R69 IonicContact OD2-NE 2.65Å; D57-R69 IonicContact OD2-NH1 3.74Å; D57-R69 PolarHBondContact OD2-NH1 3Å; V58-R69 WeakPolarHBondContact O-CA 3.5Å; V59-R69 HydrophobicContact CG2-CB 4.46Å; V59-R69 HydrophobicContact CG2-CG 4.44Å; Y67-R69 PolarHBondContact O-N 3.3Å; R69-L102 VanDerWaalsContact C-CD1 3.43Å
70A96.1Very high81.9Confident11 Ų1165 Ų659%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-140.4154.2169.800000110.7D57 V58 L72 S98 L102D57-A70 WeakPolarHBondContact CA-O 3.39Å; D57-A70 WeakPolarHBondContact CB-O 3.42Å; V58-A70 HydrophobicContact CG1-CB 3.89Å; V58-A70 PolarHBondContact N-O 3.11Å; V58-A70 PolarHBondContact O-N 3.29Å; A70-L72 PolarHBondContact O-N 2.78Å; A70-S98 WeakPolarHBondContact CB-O 3.32Å; A70-S98 WeakPolarHBondContact CB-OG 3.35Å; A70-L102 HydrophobicContact CB-CD1 3.39Å; A70-L102 HydrophobicContact CB-CG 3.78Å
71S95.7Very high80.2Confident26 Ų2671.7 Ų71.718%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-65.9128.7173.2178.80000109.8D57 S98 F99D57-S71 WeakPolarHBondContact OD1-CA 3.3Å; S71-S98 WeakPolarHBondContact CA-OG 3.47Å; S71-S98 PolarHBondContact N-OG 3.15Å; S71-S98 WeakPolarHBondContact O-CB 3.48Å; S71-S98 PolarHBondContact O-OG 2.8Å; S71-F99 PolarHBondContact O-N 3.27Å
72L96.7Very high78.6Confident0 Ų079.5 Ų79.50%042%0.421CS..EExtended strand (participates in β ladder)trans-95.6-49.9168.8169.463.1000110.1T40 F56 A70 V94 D95 F99 M139 E140T40-L72 HydrophobicContact CG2-CD2 3.89Å; F56-L72 HydrophobicContact CB-CB 4.42Å; F56-L72 HydrophobicContact CB-CD2 4.22Å; F56-L72 WeakPolarHBondContact O-CB 3.43Å; F56-L72 PolarHBondContact O-N 3.08Å; A70-L72 PolarHBondContact O-N 2.78Å; L72-V94 HydrophobicContact CD1-CG1 4.4Å; L72-V94 WeakPolarHBondContact O-CA 3.32Å; L72-D95 PolarHBondContact O-N 3.48Å; L72-F99 HydrophobicContact CD1-CB 3.93Å; L72-F99 HydrophobicContact CD1-CD1 4.48Å; L72-F99 HydrophobicContact CD1-CD2 3.68Å; L72-F99 HydrophobicContact CD1-CE2 4.3Å; L72-F99 HydrophobicContact CD1-CG 3.78Å; L72-M139 HydrophobicContact CD1-CB 4.45Å; L72-M139 HydrophobicContact CD2-CB 4.27Å; L72-M139 HydrophobicContact CG-CB 4.43Å; L72-E140 HydrophobicContact CD2-CG 4.33Å; L72-E140 VanDerWaalsContact CD2-OE1 3.27Å; L72-E140 WeakPolarHBondContact CD2-OE1 3.42Å
73A96Very high77.8Confident0 Ų078.2 Ų78.20%041%0.414CS..EExtended strand (participates in β ladder)trans-153.2151.217900000112.3G55 F56 L93 V94 M139G55-A73 CarbonylContact C-O 3.57Å; G55-A73 WeakPolarHBondContact CA-O 3.37Å; F56-A73 HydrophobicContact CD2-CB 4.45Å; F56-A73 PolarHBondContact N-O 3Å; F56-A73 PolarHBondContact O-N 3.24Å; A73-L93 CarbonylContact C-O 3.53Å; A73-L93 WeakPolarHBondContact CA-O 3.48Å; A73-L93 WeakPolarHBondContact CB-O 3.38Å; A73-V94 HydrophobicContact CB-CG2 4.41Å; A73-M139 HydrophobicContact CB-SD 3.94Å
74R94.5Very high77.4Confident68 Ų6882.8 Ų82.826%0.25743%0.43SS..EExtended strand (participates in β ladder)trans-140.4150.6178.8-68.6-65.1-174.4-93.70.4112.1L54 F56 D57 L93L54-R74 CarbonylContact O-C 3.52Å; L54-R74 WeakPolarHBondContact O-CA 3.35Å; F56-R74 VanDerWaalsContact C-NH1 3.31Å; F56-R74 PolarHBondContact O-NH1 3.45Å; D57-R74 VanDerWaalsContact CG-NH2 3.27Å; D57-R74 IonicContact OD1-CZ 3.06Å; D57-R74 IonicContact OD1-NH1 2.71Å; D57-R74 PolarHBondContact OD1-NH1 2.91Å; D57-R74 IonicContact OD1-NH2 2.61Å; D57-R74 PolarHBondContact OD1-NH2 3Å; D57-R74 IonicContact OD2-NH2 3.17Å; D57-R74 PolarHBondContact OD2-NH2 2.79Å; R74-L93 PolarHBondContact N-O 2.88Å; R74-L93 PolarHBondContact O-N 3.06Å
75I90.8Very high77.5Confident62 Ų6290.1 Ų90.132%0.31845%0.445SS..EExtended strand (participates in β ladder)trans-73.7129.3162.3-59.1178.9000107.1R53 L54 Q91 Y92R53-I75 WeakPolarHBondContact O-CD1 3.3Å; L54-I75 PolarHBondContact O-N 3.33Å; I75-Q91 HydrophobicContact CD1-CG 4.19Å; I75-Q91 HydrophobicContact CG1-CG 4.11Å; I75-Y92 HydrophobicContact CD1-CE1 3.91Å; I75-Y92 HydrophobicContact CG1-CD1 3.67Å; I75-Y92 HydrophobicContact CG1-CE1 3.52Å
76I81.3Confident78.1Confident76 Ų7686.1 Ų86.139%0.3943%0.433SS..  trans-120.9126.9174.6-54.8-166.7000108.4Q78 V83 L93I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 WeakPolarHBondContact CG2-O 3.46Å; I76-V83 HydrophobicContact CD1-CG2 3.98Å; I76-V83 HydrophobicContact CG2-CG2 4.42Å; I76-L93 HydrophobicContact CD1-CB 4.26Å; I76-L93 HydrophobicContact CD1-CD2 3.42Å; I76-L93 VanDerWaalsContact CD1-CD2 3.42Å; I76-L93 HydrophobicContact CG1-CB 4.37Å; I76-L93 HydrophobicContact CG1-CD2 4.3Å
77S67.6Low78.8Confident121 Ų12183.4 Ų83.485%0.84642%0.417SS*.SBendtrans-79-16.4-179.3-530000113.5
78Q59.2Low79Confident156 Ų15687.8 Ų87.873%0.72943%0.433SS*.SBendtrans-128.8132-167.8-64.2-177.1-8.600112.5I76 S80I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 WeakPolarHBondContact CG2-O 3.46Å; Q78-S80 PolarHBondContact O-N 2.84Å; Q78-S80 VanDerWaalsContact O-N 3.12Å
79S56.9Low78.9Confident100 Ų10087.2 Ų87.270%0.69943%0.428SS*.  trans-81.673176.256.60000110.9
80S55.5Low78.7Confident63 Ų6385 Ų8544%0.44144%0.443SS..  trans-69.2146.516153.20000109.1Q78 Q82 V83Q78-S80 PolarHBondContact O-N 2.84Å; Q78-S80 VanDerWaalsContact O-N 3.12Å; S80-Q82 PolarHBondContact O-N 3.37Å; S80-V83 VanDerWaalsContact O-CB 3.28Å; S80-V83 WeakPolarHBondContact O-CB 3.22Å; S80-V83 PolarHBondContact O-N 3.38Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.44Å
81Q58.9Low78.4Confident165 Ų16590.2 Ų90.277%0.77147%0.466SS*.G310 helixtrans-58.7-31.3-179.1-68.7-177.66.500112.9V83 Q84Q81-V83 PolarHBondContact O-N 2.95Å; Q81-Q84 WeakPolarHBondContact O-CB 3.47Å; Q81-Q84 PolarHBondContact O-N 2.85Å
82Q57.7Low78.3Confident172 Ų17290.2 Ų90.280%0.80446%0.462SS*.G310 helixtrans-60.5-30.9174.2-72.5-173.1-15.300112.7S80 Q84S80-Q82 PolarHBondContact O-N 3.37Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 3.44Å
83V60.2Low78.2Confident9 Ų990.6 Ų90.66%0.05546%0.464CS..G310 helixtrans-70.7-22.7176.5162.60000112.1I76 S80 Q81 R85 Q86 R88 L93I76-V83 HydrophobicContact CD1-CG2 3.98Å; I76-V83 HydrophobicContact CG2-CG2 4.42Å; S80-V83 VanDerWaalsContact O-CB 3.28Å; S80-V83 WeakPolarHBondContact O-CB 3.22Å; S80-V83 PolarHBondContact O-N 3.38Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.44Å; Q81-V83 PolarHBondContact O-N 2.95Å; V83-R85 PolarHBondContact O-N 3.44Å; V83-Q86 PolarHBondContact O-N 3.36Å; V83-R88 VanDerWaalsContact CG1-NH2 3.33Å; V83-L93 HydrophobicContact CB-CD2 3.94Å; V83-L93 HydrophobicContact CG1-CD1 4.03Å; V83-L93 HydrophobicContact CG1-CD2 3.49Å; V83-L93 VanDerWaalsContact CG1-CD2 3.49Å; V83-L93 HydrophobicContact CG1-CG 4.4Å; V83-L93 HydrophobicContact CG2-CD2 3.74Å
84Q62.2Low78.1Confident152 Ų15290.7 Ų90.771%0.7146%0.464SS*.G310 helixtrans-68.3-20.5-178.8-71.4-172.6-9.600113.6Q81 Q82Q81-Q84 WeakPolarHBondContact O-CB 3.47Å; Q81-Q84 PolarHBondContact O-N 2.85Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 3.44Å
85R76.4Confident78.1Confident235 Ų23589.6 Ų89.689%0.88746%0.464SS*.G310 helixtrans-90.9-16.9-179.2-66.3-172179.9-178.90.7114V83V83-R85 PolarHBondContact O-N 3.44Å
86Q83.2Confident78.3Confident64 Ų6488.7 Ų88.730%0.29946%0.459SS..SBendtrans-83.1139-179.7-76.2177.3-41.400110.4V83 L93V83-Q86 PolarHBondContact O-N 3.36Å; Q86-L93 HydrophobicContact CB-CD1 3.61Å; Q86-L93 HydrophobicContact CB-CD2 3.98Å; Q86-L93 HydrophobicContact CB-CG 3.66Å; Q86-L93 WeakPolarHBondContact O-CD1 3.47Å
87P91.8Very high79Confident43 Ų4389.4 Ų89.428%0.27947%0.471SS..  trans-67.7151179.719.9-21.2000111.2V94 I96 C142P87-V94 HydrophobicContact CG-CB 4.2Å; P87-V94 PolarHBondContact O-N 3.18Å; P87-I96 HydrophobicContact CG-CD1 3.44Å; P87-I96 VanDerWaalsContact CG-CD1 3.44Å; P87-I96 HydrophobicContact CG-CG1 4.06Å; P87-C142 HydrophobicContact CB-CB 4.3Å; P87-C142 HydrophobicContact CG-CB 3.76Å
88R90.4Very high80.3Confident155 Ų15584.9 Ų84.959%0.58544%0.439SS*.EExtended strand (participates in β ladder)trans-117.4136.1179.6-69-179176.8-162-5110.6V83 Y92 L93V83-R88 VanDerWaalsContact CG1-NH2 3.33Å; R88-Y92 CarbonylContact C-O 3.52Å; R88-Y92 VanDerWaalsContact CA-O 3.32Å; R88-Y92 WeakPolarHBondContact CA-O 3.33Å; R88-L93 HydrophobicContact CG-CD1 3.47Å; R88-L93 VanDerWaalsContact CG-CD1 3.47Å
89V90.4Very high82.1Confident32 Ų3277.5 Ų77.519%0.19440%0.404CS..EExtended strand (participates in β ladder)trans-122.8100.4171.5-179.50000108Q91 Y92 V94 K138 M139V89-Q91 PolarHBondContact O-N 3.33Å; V89-Y92 PolarHBondContact N-O 3.22Å; V89-Y92 PolarHBondContact O-N 2.84Å; V89-V94 HydrophobicContact CG2-CG2 3.97Å; V89-K138 HydrophobicContact CG1-CB 3.96Å; V89-K138 HydrophobicContact CG1-CD 4.47Å; V89-K138 HydrophobicContact CG2-CB 4.31Å; V89-M139 HydrophobicContact CB-CE 4.08Å; V89-M139 HydrophobicContact CB-CG 3.95Å; V89-M139 HydrophobicContact CG1-CE 3.98Å; V89-M139 HydrophobicContact CG1-CG 4.05Å; V89-M139 HydrophobicContact CG2-CG 4.04Å
90G90.2Very high84Confident74 Ų7474 Ų7476%0.76338%0.377SS*.THydrogen-bonded Turntrans62.8-126.8-169.400000110.8Y92G90-Y92 VanDerWaalsContact C-N 3.31Å
91Q90.8Very high85.9Confident122 Ų12274.5 Ų74.557%0.5738%0.381SS*.THydrogen-bonded Turntrans-82.8-4.6177.866.8-177.74.100114.5I75 V89I75-Q91 HydrophobicContact CD1-CG 4.19Å; I75-Q91 HydrophobicContact CG1-CG 4.11Å; V89-Q91 PolarHBondContact O-N 3.33Å
92Y93.6Very high87.6Confident26 Ų2668 Ų6810%0.10235%0.351CS..EExtended strand (participates in β ladder)trans-99.1131.2-173.3-54.3-79.9000110.9R53 F56 I75 R88 V89 G90 M139R53-Y92 WeakPolarHBondContact CD-OH 3.31Å; F56-Y92 HydrophobicContact CD2-CD1 4.42Å; F56-Y92 HydrophobicContact CE2-CD1 4.13Å; F56-Y92 HydrophobicContact CE2-CD2 4.06Å; F56-Y92 AromaticContact CE2-CE1 3.94Å; F56-Y92 HydrophobicContact CE2-CE1 3.94Å; F56-Y92 AromaticContact CE2-CE2 3.88Å; F56-Y92 HydrophobicContact CE2-CE2 3.88Å; F56-Y92 HydrophobicContact CE2-CG 4.19Å; F56-Y92 AromaticContact CE2-CZ 3.82Å; I75-Y92 HydrophobicContact CD1-CE1 3.91Å; I75-Y92 HydrophobicContact CG1-CD1 3.67Å; I75-Y92 HydrophobicContact CG1-CE1 3.52Å; R88-Y92 CarbonylContact C-O 3.52Å; R88-Y92 VanDerWaalsContact CA-O 3.32Å; R88-Y92 WeakPolarHBondContact CA-O 3.33Å; V89-Y92 PolarHBondContact N-O 3.22Å; V89-Y92 PolarHBondContact O-N 2.84Å; G90-Y92 VanDerWaalsContact C-N 3.31Å; Y92-M139 HydrophobicContact CD2-CE 3.49Å; Y92-M139 VanDerWaalsContact CD2-CE 3.49Å; Y92-M139 HydrophobicContact CE2-CE 4.28Å; Y92-M139 HydrophobicContact CG-CE 3.91Å
93L93.7Very high89.3Confident8 Ų859.8 Ų59.84%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-87127167.7-165.271.8000108.9A73 R74 I76 V83 Q86 R88A73-L93 CarbonylContact C-O 3.53Å; A73-L93 WeakPolarHBondContact CA-O 3.48Å; A73-L93 WeakPolarHBondContact CB-O 3.38Å; R74-L93 PolarHBondContact N-O 2.88Å; R74-L93 PolarHBondContact O-N 3.06Å; I76-L93 HydrophobicContact CD1-CB 4.26Å; I76-L93 HydrophobicContact CD1-CD2 3.42Å; I76-L93 VanDerWaalsContact CD1-CD2 3.42Å; I76-L93 HydrophobicContact CG1-CB 4.37Å; I76-L93 HydrophobicContact CG1-CD2 4.3Å; V83-L93 HydrophobicContact CB-CD2 3.94Å; V83-L93 HydrophobicContact CG1-CD1 4.03Å; V83-L93 HydrophobicContact CG1-CD2 3.49Å; V83-L93 VanDerWaalsContact CG1-CD2 3.49Å; V83-L93 HydrophobicContact CG1-CG 4.4Å; V83-L93 HydrophobicContact CG2-CD2 3.74Å; Q86-L93 HydrophobicContact CB-CD1 3.61Å; Q86-L93 HydrophobicContact CB-CD2 3.98Å; Q86-L93 HydrophobicContact CB-CG 3.66Å; Q86-L93 WeakPolarHBondContact O-CD1 3.47Å; R88-L93 HydrophobicContact CG-CD1 3.47Å; R88-L93 VanDerWaalsContact CG-CD1 3.47Å
94V94.7Very high91.1Very high1 Ų160.1 Ų60.11%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-87.7123.7-177.9-177.90000109.4L72 A73 P87 V89 I96 M139 C142L72-V94 HydrophobicContact CD1-CG1 4.4Å; L72-V94 WeakPolarHBondContact O-CA 3.32Å; A73-V94 HydrophobicContact CB-CG2 4.41Å; P87-V94 HydrophobicContact CG-CB 4.2Å; P87-V94 PolarHBondContact O-N 3.18Å; V89-V94 HydrophobicContact CG2-CG2 3.97Å; V94-I96 HydrophobicContact CG1-CG1 4.14Å; V94-I96 PolarHBondContact O-N 3.29Å; V94-M139 HydrophobicContact CG2-CB 4.32Å; V94-M139 HydrophobicContact CG2-CG 4.29Å; V94-C142 HydrophobicContact CG1-CB 4.09Å
95D94.5Very high92.6Very high46 Ų4656.2 Ų56.225%0.24630%0.302CS..  trans-90.581.1174.6-169.5-14.1000109.8L72 S97 S98 F99L72-D95 PolarHBondContact O-N 3.48Å; D95-S97 VanDerWaalsContact C-N 3.26Å; D95-S97 PolarHBondContact O-N 2.92Å; D95-S97 PolarHBondContact OD1-N 2.94Å; D95-S98 PolarHBondContact O-N 3.12Å; D95-S98 WeakPolarHBondContact OD1-CB 3.26Å; D95-S98 PolarHBondContact OD1-N 2.95Å; D95-S98 VanDerWaalsContact OD1-N 3.08Å; D95-S98 VanDerWaalsContact OD2-CB 3.23Å; D95-S98 WeakPolarHBondContact OD2-CB 3.32Å; D95-F99 WeakPolarHBondContact O-CB 3.36Å; D95-F99 PolarHBondContact O-N 3.02Å
96I94.9Very high93.3Very high42 Ų4245.8 Ų45.822%0.21527%0.265CS..Hα-helixtrans-56.5-42.2-179.6-67.5172.3000111P87 V94 F99 E100 C142P87-I96 HydrophobicContact CG-CD1 3.44Å; P87-I96 VanDerWaalsContact CG-CD1 3.44Å; P87-I96 HydrophobicContact CG-CG1 4.06Å; V94-I96 HydrophobicContact CG1-CG1 4.14Å; V94-I96 PolarHBondContact O-N 3.29Å; I96-F99 PolarHBondContact O-N 2.7Å; I96-E100 HydrophobicContact CG2-CG 3.88Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.27Å; I96-E100 VanDerWaalsContact O-CB 3.27Å; I96-E100 WeakPolarHBondContact O-CB 3.4Å; I96-E100 VanDerWaalsContact O-CG 3.28Å; I96-E100 WeakPolarHBondContact O-CG 3.34Å; I96-E100 PolarHBondContact O-N 2.79Å; I96-C142 HydrophobicContact CD1-CB 4.29Å; I96-C142 WeakPolarHBondContact CD1-O 3.44Å; I96-C142 HydrophobicContact CG1-CB 4.36Å
97S95.2Very high93.8Very high92 Ų9242.8 Ų42.864%0.64325%0.251SS*.Hα-helixtrans-65-45.6-174.6-172.20000111.3D95 S101D95-S97 VanDerWaalsContact C-N 3.26Å; D95-S97 PolarHBondContact O-N 2.92Å; D95-S97 PolarHBondContact OD1-N 2.94Å; S97-S101 PolarHBondContact O-N 2.99Å; S97-S101 VanDerWaalsContact O-N 3.1Å
98S95.5Very high93.9Very high25 Ų2544.9 Ų44.918%0.17526%0.257CS..Hα-helixtrans-64.4-46.7177.3170.90000111.1A70 S71 D95 E100 S101A70-S98 WeakPolarHBondContact CB-O 3.32Å; A70-S98 WeakPolarHBondContact CB-OG 3.35Å; S71-S98 WeakPolarHBondContact CA-OG 3.47Å; S71-S98 PolarHBondContact N-OG 3.15Å; S71-S98 WeakPolarHBondContact O-CB 3.48Å; S71-S98 PolarHBondContact O-OG 2.8Å; D95-S98 PolarHBondContact O-N 3.12Å; D95-S98 WeakPolarHBondContact OD1-CB 3.26Å; D95-S98 PolarHBondContact OD1-N 2.95Å; D95-S98 VanDerWaalsContact OD1-N 3.08Å; D95-S98 VanDerWaalsContact OD2-CB 3.23Å; D95-S98 WeakPolarHBondContact OD2-CB 3.32Å; S98-E100 PolarHBondContact O-N 3.36Å; S98-S101 PolarHBondContact O-N 3.5Å; S98-S101 PolarHBondContact O-OG 3.27Å
99F96.7Very high93.8Very high1 Ų140.1 Ų40.10%0.00425%0.247CC..Hα-helixtrans-58.5-49.1175.1171.5-112.4000112.6F38 V58 S71 L72 D95 I96 S101 L102 A103 E140 F146F38-F99 HydrophobicContact CE1-CE2 4.32Å; F38-F99 HydrophobicContact CE1-CZ 4.49Å; F38-F99 HydrophobicContact CE2-CE2 4.23Å; F38-F99 AromaticContact CZ-CE2 3.85Å; F38-F99 HydrophobicContact CZ-CE2 3.85Å; F38-F99 HydrophobicContact CZ-CZ 4.03Å; V58-F99 HydrophobicContact CB-CD2 4.09Å; V58-F99 HydrophobicContact CG1-CD2 3.99Å; V58-F99 HydrophobicContact CG2-CD2 4.26Å; V58-F99 HydrophobicContact CG2-CE2 4.26Å; S71-F99 PolarHBondContact O-N 3.27Å; L72-F99 HydrophobicContact CD1-CB 3.93Å; L72-F99 HydrophobicContact CD1-CD1 4.48Å; L72-F99 HydrophobicContact CD1-CD2 3.68Å; L72-F99 HydrophobicContact CD1-CE2 4.3Å; L72-F99 HydrophobicContact CD1-CG 3.78Å; D95-F99 WeakPolarHBondContact O-CB 3.36Å; D95-F99 PolarHBondContact O-N 3.02Å; I96-F99 PolarHBondContact O-N 2.7Å; F99-S101 VanDerWaalsContact C-N 3.25Å; F99-S101 PolarHBondContact O-N 3.47Å; F99-L102 PolarHBondContact O-N 3.36Å; F99-A103 HydrophobicContact CD2-CB 4.08Å; F99-A103 HydrophobicContact CE1-CB 4.1Å; F99-A103 HydrophobicContact CE2-CB 3.61Å; F99-A103 HydrophobicContact CZ-CB 3.63Å; F99-A103 WeakPolarHBondContact O-CB 3.45Å; F99-A103 PolarHBondContact O-N 3.42Å; F99-E140 HydrophobicContact CE1-CB 4.44Å; F99-E140 HydrophobicContact CE2-CG 4.26Å; F99-E140 HydrophobicContact CZ-CB 3.95Å; F99-E140 HydrophobicContact CZ-CG 4.17Å; F99-F146 HydrophobicContact CE1-CB 3.78Å; F99-F146 HydrophobicContact CE1-CD1 4.23Å; F99-F146 AromaticContact CE1-CD2 3.97Å; F99-F146 HydrophobicContact CE1-CD2 3.97Å; F99-F146 AromaticContact CE1-CG 3.73Å; F99-F146 HydrophobicContact CE1-CG 3.73Å; F99-F146 HydrophobicContact CZ-CB 4.37Å; F99-F146 HydrophobicContact CZ-CD1 4.21Å; F99-F146 AromaticContact CZ-CD2 3.68Å; F99-F146 HydrophobicContact CZ-CD2 3.68Å; F99-F146 HydrophobicContact CZ-CE1 4.46Å; F99-F146 AromaticContact CZ-CE2 3.95Å; F99-F146 HydrophobicContact CZ-CE2 3.95Å; F99-F146 AromaticContact CZ-CG 3.82Å; F99-F146 HydrophobicContact CZ-CG 3.82Å; F99-F146 HydrophobicContact CZ-CZ 4.33Å
100E96.9Very high93.6Very high28 Ų2838.8 Ų38.813%0.13124%0.239CC..Hα-helixtrans-61.6-34.2-178.5-77.8-173.3179.700112.3I96 S98 L102 I104 P105 S143 K145I96-E100 HydrophobicContact CG2-CG 3.88Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.27Å; I96-E100 VanDerWaalsContact O-CB 3.27Å; I96-E100 WeakPolarHBondContact O-CB 3.4Å; I96-E100 VanDerWaalsContact O-CG 3.28Å; I96-E100 WeakPolarHBondContact O-CG 3.34Å; I96-E100 PolarHBondContact O-N 2.79Å; S98-E100 PolarHBondContact O-N 3.36Å; E100-L102 PolarHBondContact O-N 3.43Å; E100-L102 VanDerWaalsContact O-N 3.14Å; E100-I104 HydrophobicContact CB-CG1 3.77Å; E100-I104 HydrophobicContact CG-CD1 4.36Å; E100-I104 HydrophobicContact CG-CG1 3.83Å; E100-I104 VanDerWaalsContact O-CB 3.25Å; E100-I104 WeakPolarHBondContact O-CB 3.45Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 3.27Å; E100-I104 VanDerWaalsContact O-N 3.11Å; E100-P105 WeakPolarHBondContact O-CD 3.27Å; E100-S143 WeakPolarHBondContact CG-OG 3.34Å; E100-S143 WeakPolarHBondContact OE1-CB 3.14Å; E100-S143 PolarHBondContact OE1-OG 3.49Å; E100-K145 WeakPolarHBondContact OE2-CD 3.49Å; E100-K145 WeakPolarHBondContact OE2-CE 3.21Å; E100-K145 IonicContact OE2-NZ 2.78Å; E100-K145 PolarHBondContact OE2-NZ 3.13Å
101S96Very high93.5Very high73 Ų7335.6 Ų35.651%0.5120%0.204SC..Hα-helixtrans-59.2-26.3-179.876.70000114S97 S98 F99 P105S97-S101 PolarHBondContact O-N 2.99Å; S97-S101 VanDerWaalsContact O-N 3.1Å; S98-S101 PolarHBondContact O-N 3.5Å; S98-S101 PolarHBondContact O-OG 3.27Å; F99-S101 VanDerWaalsContact C-N 3.25Å; F99-S101 PolarHBondContact O-N 3.47Å; S101-P105 WeakPolarHBondContact O-CG 3.21Å
102L94.4Very high93.2Very high28 Ų2834.1 Ų34.115%0.14720%0.2CC..Hα-helixtrans-104.5-48.9176.4-68.8-171.2000112.6V58 L60 P68 R69 A70 F99 E100 I104 C106V58-L102 HydrophobicContact CG1-CD1 4.29Å; L60-L102 HydrophobicContact CD1-CB 4.19Å; L60-L102 HydrophobicContact CD1-CD2 4.07Å; L60-L102 HydrophobicContact CD2-CB 3.92Å; L60-L102 HydrophobicContact CG-CB 4.02Å; L60-L102 HydrophobicContact CG-CD1 4.27Å; L60-L102 HydrophobicContact CG-CD2 4.4Å; L60-L102 HydrophobicContact CG-CG 4.48Å; P68-L102 HydrophobicContact CB-CD2 4.25Å; R69-L102 VanDerWaalsContact C-CD1 3.43Å; A70-L102 HydrophobicContact CB-CD1 3.39Å; A70-L102 HydrophobicContact CB-CG 3.78Å; F99-L102 PolarHBondContact O-N 3.36Å; E100-L102 PolarHBondContact O-N 3.43Å; E100-L102 VanDerWaalsContact O-N 3.14Å; L102-I104 PolarHBondContact O-N 3.1Å; L102-C106 WeakPolarHBondContact O-CB 3.24Å; L102-C106 PolarHBondContact O-N 3.26Å
103A94.5Very high92.6Very high0 Ų034.7 Ų34.70%021%0.205CC..Hα-helixtrans-68.4-38.2-172.200000112.7F38 F99 L107 F146F38-A103 HydrophobicContact CD1-CB 4.21Å; F38-A103 HydrophobicContact CE1-CB 3.8Å; F99-A103 HydrophobicContact CD2-CB 4.08Å; F99-A103 HydrophobicContact CE1-CB 4.1Å; F99-A103 HydrophobicContact CE2-CB 3.61Å; F99-A103 HydrophobicContact CZ-CB 3.63Å; F99-A103 WeakPolarHBondContact O-CB 3.45Å; F99-A103 PolarHBondContact O-N 3.42Å; A103-L107 WeakPolarHBondContact O-CG 3.39Å; A103-L107 PolarHBondContact O-N 2.91Å; A103-L107 VanDerWaalsContact O-N 3.08Å; A103-F146 HydrophobicContact CB-CD2 4.3Å
104I96Very high91.7Very high16 Ų1635.1 Ų35.18%0.08221%0.207CC..Hα-helixtrans-69.8-52.9-175.1-59.9-59.5000111.7E100 L102 C106 L107 Q108 K145 F146 L149E100-I104 HydrophobicContact CB-CG1 3.77Å; E100-I104 HydrophobicContact CG-CD1 4.36Å; E100-I104 HydrophobicContact CG-CG1 3.83Å; E100-I104 VanDerWaalsContact O-CB 3.25Å; E100-I104 WeakPolarHBondContact O-CB 3.45Å; E100-I104 WeakPolarHBondContact O-CG1 3.46Å; E100-I104 PolarHBondContact O-N 3.27Å; E100-I104 VanDerWaalsContact O-N 3.11Å; L102-I104 PolarHBondContact O-N 3.1Å; I104-C106 PolarHBondContact O-N 3.36Å; I104-L107 PolarHBondContact O-N 3.22Å; I104-Q108 HydrophobicContact CG2-CG 4.18Å; I104-Q108 WeakPolarHBondContact O-CB 3.28Å; I104-Q108 WeakPolarHBondContact O-CG 3.45Å; I104-Q108 PolarHBondContact O-N 2.87Å; I104-K145 HydrophobicContact CD1-CB 3.73Å; I104-K145 HydrophobicContact CG1-CB 4.47Å; I104-F146 HydrophobicContact CD1-CB 4.16Å; I104-L149 HydrophobicContact CB-CD1 4.35Å; I104-L149 HydrophobicContact CD1-CD1 3.54Å; I104-L149 HydrophobicContact CG2-CD1 3.95Å
105P94.1Very high90.7Very high70 Ų7040.7 Ų40.746%0.45523%0.233SC..Hα-helixtrans-59.6-37.7177.5-24.435.6000112.4E100 S101 Q108 S109E100-P105 WeakPolarHBondContact O-CD 3.27Å; S101-P105 WeakPolarHBondContact O-CG 3.21Å; P105-Q108 PolarHBondContact O-N 2.9Å; P105-S109 PolarHBondContact O-N 3.45Å
106C92Very high89.3Confident16 Ų1641.1 Ų41.111%0.10824%0.24CC..Hα-helixtrans-58.4-53.3176.7-175.60000111.3G37 L60 L102 I104 S109G37-C106 VanDerWaalsContact CA-SG 3.57Å; L60-C106 HydrophobicContact CD1-CB 4.46Å; L60-C106 HydrophobicContact CD2-CB 4.12Å; L102-C106 WeakPolarHBondContact O-CB 3.24Å; L102-C106 PolarHBondContact O-N 3.26Å; I104-C106 PolarHBondContact O-N 3.36Å; C106-S109 PolarHBondContact O-N 2.93Å; C106-S109 PolarHBondContact O-OG 2.85Å
107L93.2Very high87.5Confident1 Ų140.4 Ų40.41%0.00524%0.237CC..Hα-helixtrans-69-37.3-179.3-68.6178.8000113A103 I104 S109 I110 I111 I133 F146 L149 I150 L153A103-L107 WeakPolarHBondContact O-CG 3.39Å; A103-L107 PolarHBondContact O-N 2.91Å; A103-L107 VanDerWaalsContact O-N 3.08Å; I104-L107 PolarHBondContact O-N 3.22Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-S109 PolarHBondContact O-N 2.95Å; L107-I110 HydrophobicContact CD2-CD1 4.42Å; L107-I110 PolarHBondContact O-N 3Å; L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 3.38Å; L107-I111 VanDerWaalsContact O-N 3.12Å; L107-I133 HydrophobicContact CD2-CD1 3.74Å; L107-F146 HydrophobicContact CD1-CD2 3.65Å; L107-F146 HydrophobicContact CD1-CE2 3.64Å; L107-L149 HydrophobicContact CB-CB 4.27Å; L107-L149 HydrophobicContact CB-CD1 4.03Å; L107-L149 HydrophobicContact CD1-CB 4Å; L107-L149 HydrophobicContact CD1-CD1 4.45Å; L107-I150 HydrophobicContact CD1-CD1 3.8Å; L107-I150 HydrophobicContact CD1-CG1 4.48Å; L107-I150 HydrophobicContact CD2-CD1 4.49Å; L107-L153 HydrophobicContact CD2-CD2 4.35Å
108Q93.3Very high85.5Confident87 Ų8739.9 Ų39.941%0.40723%0.234SC..Hα-helixtrans-61.9-39.5177-77.1178.6-23.500111.9I104 P105 I110 I111 N112 L149I104-Q108 HydrophobicContact CG2-CG 4.18Å; I104-Q108 WeakPolarHBondContact O-CB 3.28Å; I104-Q108 WeakPolarHBondContact O-CG 3.45Å; I104-Q108 PolarHBondContact O-N 2.87Å; P105-Q108 PolarHBondContact O-N 2.9Å; Q108-I110 VanDerWaalsContact C-N 3.28Å; Q108-I110 PolarHBondContact O-N 3.3Å; Q108-I111 PolarHBondContact O-N 2.96Å; Q108-N112 WeakPolarHBondContact O-CB 3.47Å; Q108-N112 PolarHBondContact O-N 2.98Å; Q108-N112 PolarHBondContact O-ND2 2.9Å; Q108-N112 PolarHBondContact O-OD1 3.49Å; Q108-L149 HydrophobicContact CG-CD1 4.02Å; Q108-L149 HydrophobicContact CG-CD2 4.05Å
109S88.6Confident83.1Confident55 Ų5543.9 Ų43.939%0.38526%0.262SS..Hα-helixtrans-58-41.6177.372.30000112.3P105 C106 L107 N112 D113P105-S109 PolarHBondContact O-N 3.45Å; C106-S109 PolarHBondContact O-N 2.93Å; C106-S109 PolarHBondContact O-OG 2.85Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-S109 PolarHBondContact O-N 2.95Å; S109-N112 PolarHBondContact O-N 3.49Å; S109-D113 WeakPolarHBondContact O-CB 3.5Å; S109-D113 PolarHBondContact O-N 2.81Å
110I86.6Confident80.5Confident3 Ų348.3 Ų48.32%0.01529%0.285CS..Hα-helixtrans-67-45.2178.9-57.2167.3000110.9V36 L107 Q108 D113 L114 I129 C131 L153V36-I110 HydrophobicContact CG2-CD1 3.4Å; V36-I110 HydrophobicContact CG2-CG1 3.64Å; L107-I110 HydrophobicContact CD2-CD1 4.42Å; L107-I110 PolarHBondContact O-N 3Å; Q108-I110 VanDerWaalsContact C-N 3.28Å; Q108-I110 PolarHBondContact O-N 3.3Å; I110-D113 PolarHBondContact O-N 3.33Å; I110-L114 WeakPolarHBondContact O-CG 3.1Å; I110-L114 PolarHBondContact O-N 2.97Å; I110-I129 HydrophobicContact CG2-CG2 4.38Å; I110-C131 HydrophobicContact CD1-CB 3.91Å; I110-C131 VanDerWaalsContact CD1-SG 3.53Å; I110-L153 HydrophobicContact CG2-CD1 4.13Å
111I87.5Confident78Confident7 Ų752.5 Ų52.54%0.03631%0.308CS..Hα-helixtrans-65.7-41.1179.4-66.9167.9000110.4L107 Q108 L114 E115 L149 K152L107-I111 WeakPolarHBondContact O-CG1 3.23Å; L107-I111 PolarHBondContact O-N 3.38Å; L107-I111 VanDerWaalsContact O-N 3.12Å; Q108-I111 PolarHBondContact O-N 2.96Å; I111-L114 WeakPolarHBondContact O-CB 3.33Å; I111-L114 PolarHBondContact O-N 3.25Å; I111-E115 WeakPolarHBondContact O-CG 3.44Å; I111-E115 PolarHBondContact O-N 3.44Å; I111-L149 HydrophobicContact CD1-CB 4.32Å; I111-L149 HydrophobicContact CD1-CD2 3.79Å; I111-K152 HydrophobicContact CD1-CB 4.11Å
112N85.6Confident75.6Confident92 Ų9254.2 Ų54.249%0.49231%0.311SS..Hα-helixtrans-65.9-39176.5-65.8-12000111.8Q108 S109 L114 E115 S116Q108-N112 WeakPolarHBondContact O-CB 3.47Å; Q108-N112 PolarHBondContact O-N 2.98Å; Q108-N112 PolarHBondContact O-ND2 2.9Å; Q108-N112 PolarHBondContact O-OD1 3.49Å; S109-N112 PolarHBondContact O-N 3.49Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.66Å; N112-E115 PolarHBondContact O-N 2.71Å; N112-S116 VanDerWaalsContact O-CB 3.23Å; N112-S116 WeakPolarHBondContact O-CB 3.45Å; N112-S116 PolarHBondContact O-N 2.88Å; N112-S116 PolarHBondContact O-OG 2.86Å
113D79.7Confident73.2Confident37 Ų3762 Ų6220%0.19835%0.347CS..Hα-helixtrans-61.4-39172.8-91.8-38.5000111.1S109 I110 S116 V117 R124 I129S109-D113 WeakPolarHBondContact O-CB 3.5Å; S109-D113 PolarHBondContact O-N 2.81Å; I110-D113 PolarHBondContact O-N 3.33Å; D113-S116 PolarHBondContact O-OG 2.84Å; D113-V117 VanDerWaalsContact O-CG2 3.22Å; D113-V117 WeakPolarHBondContact O-CG2 3.27Å; D113-V117 PolarHBondContact O-N 2.78Å; D113-R124 IonicContact OD1-CZ 3.44Å; D113-R124 IonicContact OD1-NH1 2.87Å; D113-R124 PolarHBondContact OD1-NH1 3.39Å; D113-R124 IonicContact OD1-NH2 3.01Å; D113-R124 PolarHBondContact OD1-NH2 3.28Å; D113-R124 IonicContact OD2-NH1 3.92Å; D113-R124 IonicContact OD2-NH2 3.43Å; D113-R124 PolarHBondContact OD2-NH2 3.26Å; D113-I129 HydrophobicContact CB-CD1 4.34Å
114L76.3Confident71.1Confident17 Ų1767.3 Ų67.39%0.08937%0.367CS..Hα-helixtrans-64.4-44.8174.7-78.3173.9000112.7I110 I111 N112 L153 P171 V173I110-L114 WeakPolarHBondContact O-CG 3.1Å; I110-L114 PolarHBondContact O-N 2.97Å; I111-L114 WeakPolarHBondContact O-CB 3.33Å; I111-L114 PolarHBondContact O-N 3.25Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.66Å; L114-L153 HydrophobicContact CD1-CD1 4.27Å; L114-P171 HydrophobicContact CD2-CG 3.96Å; L114-V173 HydrophobicContact CD1-CB 4.46Å; L114-V173 HydrophobicContact CD1-CG2 3.91Å; L114-V173 HydrophobicContact CD2-CB 4.21Å; L114-V173 HydrophobicContact CD2-CG2 3.17Å; L114-V173 HydrophobicContact CG-CG2 3.75Å
115E73.8Confident68.9Low118 Ų11876.7 Ų76.755%0.55141%0.407SS*.Hα-helixtrans-72.2-41.9-177.1-71.2176.7-177.200112I111 N112 S118I111-E115 WeakPolarHBondContact O-CG 3.44Å; I111-E115 PolarHBondContact O-N 3.44Å; N112-E115 PolarHBondContact O-N 2.71Å; E115-S118 WeakPolarHBondContact O-CB 3.4Å; E115-S118 PolarHBondContact O-N 2.81Å; E115-S118 PolarHBondContact O-OG 2.81Å
116S65.4Low67.2Low56 Ų5675.7 Ų75.739%0.39240%0.398SS..Hα-helixtrans-72-28.2-174.562.40000114.8N112 D113 S118 S119N112-S116 VanDerWaalsContact O-CB 3.23Å; N112-S116 WeakPolarHBondContact O-CB 3.45Å; N112-S116 PolarHBondContact O-N 2.88Å; N112-S116 PolarHBondContact O-OG 2.86Å; D113-S116 PolarHBondContact O-OG 2.84Å; S116-S118 PolarHBondContact O-N 3.34Å; S116-S118 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-N 3.41Å
117V57.3Low66.5Low26 Ų2678.4 Ų78.416%0.15841%0.411CS..THydrogen-bonded Turntrans-66.1-17.5179.2177.10000112.2D113 S119 K169 P171D113-V117 VanDerWaalsContact O-CG2 3.22Å; D113-V117 WeakPolarHBondContact O-CG2 3.27Å; D113-V117 PolarHBondContact O-N 2.78Å; V117-S119 PolarHBondContact O-N 3Å; V117-K169 WeakPolarHBondContact CG1-O 3.4Å; V117-P171 HydrophobicContact CB-CG 4.29Å; V117-P171 HydrophobicContact CG2-CG 4.16Å
118S51.8Low66.1Low82 Ų8278.4 Ų78.457%0.57341%0.411SS*.THydrogen-bonded Turntrans-55.3-16.2167.2-43.60000113.3E115 S116E115-S118 WeakPolarHBondContact O-CB 3.4Å; E115-S118 PolarHBondContact O-N 2.81Å; E115-S118 PolarHBondContact O-OG 2.81Å; S116-S118 PolarHBondContact O-N 3.34Å; S116-S118 VanDerWaalsContact O-N 3.15Å
119S45.3Very low65.8Low108 Ų10874.6 Ų74.676%0.75539%0.394SS*.THydrogen-bonded Turntrans-119.8-17.8-176.5-65.70000116.6S116 V117S116-S119 PolarHBondContact O-N 3.41Å; V117-S119 PolarHBondContact O-N 3Å
120I42.6Very low65.9Low95 Ų9572 Ų7249%0.48738%0.375SS..  trans-131.1125.8-166.9-64.8173.9000113N122I120-N122 HydrophobicContact CG2-CB 4.12Å; I120-N122 VanDerWaalsContact CG2-CG 3.48Å; I120-N122 PolarHBondContact O-N 3.08Å
121N44.8Very low66.3Low115 Ų11571.8 Ų71.862%0.61538%0.375SS*.  trans-62.133.6172.3-71.9-24.7000114.6Q123 K169N121-Q123 PolarHBondContact O-N 3.4Å; N121-K169 VanDerWaalsContact OD1-CE 3.23Å; N121-K169 WeakPolarHBondContact OD1-CE 3.28Å; N121-K169 PolarHBondContact OD1-NZ 3.25Å
122N44.6Very low66.7Low110 Ų11071.5 Ų71.559%0.58837%0.373SS*.  trans-69.6101.2177.4-85.1-18.9000108.3I120 R124I120-N122 HydrophobicContact CG2-CB 4.12Å; I120-N122 VanDerWaalsContact CG2-CG 3.48Å; I120-N122 PolarHBondContact O-N 3.08Å; N122-R124 PolarHBondContact O-N 3.33Å
123Q43.9Very low67.3Low191 Ų19167.1 Ų67.189%0.89335%0.349SS*.  trans-61.765.5166.3-73-172.7-43.700110.1N121 K125N121-Q123 PolarHBondContact O-N 3.4Å; Q123-K125 PolarHBondContact O-N 2.92Å; Q123-K125 VanDerWaalsContact O-N 3.1Å
124R50.7Low68Low112 Ų11265.3 Ų65.342%0.42334%0.34SS..  trans-60.5118.4160.9-83.8-176.5170.8130.6-11.3105.5D113 N122 N126 N127D113-R124 IonicContact OD1-CZ 3.44Å; D113-R124 IonicContact OD1-NH1 2.87Å; D113-R124 PolarHBondContact OD1-NH1 3.39Å; D113-R124 IonicContact OD1-NH2 3.01Å; D113-R124 PolarHBondContact OD1-NH2 3.28Å; D113-R124 IonicContact OD2-NH1 3.92Å; D113-R124 IonicContact OD2-NH2 3.43Å; D113-R124 PolarHBondContact OD2-NH2 3.26Å; N122-R124 PolarHBondContact O-N 3.33Å; R124-N126 PolarHBondContact O-N 3.07Å; R124-N127 PolarHBondContact O-OD1 2.62Å
125K50.7Low68.7Low212 Ų21266.7 Ų66.792%0.92235%0.346SS*.SBendtrans-52.2-24.7177.8-89.4-179.3174.8175.60112.7Q123Q123-K125 PolarHBondContact O-N 2.92Å; Q123-K125 VanDerWaalsContact O-N 3.1Å
126N58.4Low69.7Low50 Ų5061 Ų6127%0.26732%0.319SS..  trans-125.6110.7175.6-66-29.9000109.2G32 R124 L128 K228G32-N126 PolarHBondContact O-ND2 2.88Å; R124-N126 PolarHBondContact O-N 3.07Å; N126-L128 PolarHBondContact O-N 3.42Å; N126-K228 VanDerWaalsContact OD1-CE 3.24Å; N126-K228 WeakPolarHBondContact OD1-CE 3Å; N126-K228 PolarHBondContact OD1-NZ 3.19Å
127N76Confident71Confident72 Ų7258.5 Ų58.539%0.38530%0.302SS..  trans-783.4174.9-80.5-1.8000113.3R124 P171 T172R124-N127 PolarHBondContact O-OD1 2.62Å; N127-P171 CarbonylContact O-C 3.52Å; N127-P171 WeakPolarHBondContact O-CA 3.19Å; N127-P171 WeakPolarHBondContact O-CB 3.21Å; N127-T172 PolarHBondContact O-N 3.21Å
128L84.7Confident72.7Confident2 Ų263 Ų631%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-98.6120.2-179.4179.963.4000110.4I33 N126 V130 T172 V174 I224 C227 K228I33-L128 HydrophobicContact CD1-CD2 4.32Å; I33-L128 HydrophobicContact CG2-CD2 4.2Å; I33-L128 HydrophobicContact CG2-CG 4.34Å; N126-L128 PolarHBondContact O-N 3.42Å; L128-V130 HydrophobicContact CD2-CG2 4.47Å; L128-V130 HydrophobicContact CG-CG2 4.22Å; L128-T172 WeakPolarHBondContact CA-O 3.47Å; L128-T172 HydrophobicContact CD1-CG2 3.93Å; L128-V174 HydrophobicContact CD1-CG2 3.8Å; L128-I224 HydrophobicContact CD2-CG2 4.08Å; L128-I224 WeakPolarHBondContact CD2-O 3.42Å; L128-C227 HydrophobicContact CD1-CB 4.07Å; L128-K228 HydrophobicContact CD2-CB 4.06Å
129I87.9Confident74.7Confident6 Ų660.2 Ų60.23%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-112.3129.8171.3-58.2169.3000107.9V36 I110 D113 P171 T172 V173 V174V36-I129 HydrophobicContact CG2-CG2 4.42Å; I110-I129 HydrophobicContact CG2-CG2 4.38Å; D113-I129 HydrophobicContact CB-CD1 4.34Å; I129-P171 HydrophobicContact CD1-CB 4.31Å; I129-T172 PolarHBondContact N-O 3.49Å; I129-V173 HydrophobicContact CB-CG2 4.19Å; I129-V173 WeakPolarHBondContact O-CA 3.49Å; I129-V174 PolarHBondContact O-N 3.49Å
130V91.5Very high77.1Confident0 Ų055.3 Ų55.30%026%0.263CS..EExtended strand (participates in β ladder)trans-110.3120.1177.5-1730000109.3L28 I33 H34 A35 V36 L128 I132 V174 I224L28-V130 HydrophobicContact CD1-CB 4.11Å; L28-V130 HydrophobicContact CD1-CG1 3.79Å; L28-V130 HydrophobicContact CD1-CG2 4.12Å; I33-V130 HydrophobicContact CG2-CG2 3.66Å; H34-V130 PolarHBondContact O-N 2.87Å; A35-V130 VanDerWaalsContact CA-O 3.31Å; A35-V130 WeakPolarHBondContact CA-O 3.34Å; A35-V130 HydrophobicContact CB-CB 4.12Å; V36-V130 PolarHBondContact N-O 3.27Å; L128-V130 HydrophobicContact CD2-CG2 4.47Å; L128-V130 HydrophobicContact CG-CG2 4.22Å; V130-I132 HydrophobicContact CG1-CD1 4.46Å; V130-I132 HydrophobicContact CG1-CG1 3.92Å; V130-V174 CarbonylContact C-O 3.52Å; V130-V174 WeakPolarHBondContact CA-O 3.09Å; V130-I224 HydrophobicContact CG1-CD1 4.31Å; V130-I224 HydrophobicContact CG2-CG2 3.51Å
131C94.4Very high79.6Confident0 Ų052.2 Ų52.20%025%0.247CC..EExtended strand (participates in β ladder)trans-97.2117.2172.6-174.90000108.9V36 I110 L153 V174 L175 L176V36-C131 CarbonylContact O-C 3.36Å; V36-C131 WeakPolarHBondContact O-CA 3.44Å; I110-C131 HydrophobicContact CD1-CB 3.91Å; I110-C131 VanDerWaalsContact CD1-SG 3.53Å; C131-L153 HydrophobicContact CB-CD2 4.21Å; C131-V174 PolarHBondContact N-O 3.03Å; C131-L175 HydrophobicContact CB-CD1 4.26Å; C131-L175 WeakPolarHBondContact O-CA 3.39Å; C131-L176 PolarHBondContact O-N 3.33Å
132I96.4Very high82Confident0 Ų048.5 Ų48.50%023%0.23CC..EExtended strand (participates in β ladder)trans-108.7118179.9-53.6-178.7000109.6V21 F25 L28 A35 V36 G37 F38 F61 V130 L176V21-I132 HydrophobicContact CB-CG2 3.87Å; V21-I132 HydrophobicContact CG1-CG2 4.39Å; V21-I132 HydrophobicContact CG2-CG2 4.49Å; F25-I132 HydrophobicContact CB-CD1 3.75Å; F25-I132 HydrophobicContact CD2-CD1 3.97Å; F25-I132 HydrophobicContact CG-CD1 4.36Å; L28-I132 HydrophobicContact CD1-CD1 4.15Å; A35-I132 HydrophobicContact CB-CD1 4.33Å; V36-I132 PolarHBondContact O-N 2.91Å; G37-I132 CarbonylContact C-O 3.58Å; G37-I132 WeakPolarHBondContact CA-O 3.2Å; F38-I132 PolarHBondContact N-O 3.12Å; F61-I132 HydrophobicContact CD2-CB 4Å; F61-I132 HydrophobicContact CD2-CG2 4.07Å; F61-I132 HydrophobicContact CE2-CB 4.05Å; F61-I132 HydrophobicContact CE2-CG2 3.58Å; F61-I132 HydrophobicContact CZ-CG2 4.42Å; V130-I132 HydrophobicContact CG1-CD1 4.46Å; V130-I132 HydrophobicContact CG1-CG1 3.92Å; I132-L176 CarbonylContact C-O 3.51Å; I132-L176 VanDerWaalsContact CA-O 3.24Å; I132-L176 WeakPolarHBondContact CA-O 3.33Å; I132-L176 HydrophobicContact CG1-CB 4.39Å; I132-L176 HydrophobicContact CG1-CD2 4.42Å; I132-L176 HydrophobicContact CG2-CD2 4.41Å
133I96.9Very high84.5Confident0 Ų043.3 Ų43.30%020%0.202CC..EExtended strand (participates in β ladder)trans-124.398.1-178.4-54.3-173.7000108.8F38 L107 E135 I136 F146 I150 L175 L176 A177 T178F38-I133 HydrophobicContact CE1-CG2 4.15Å; F38-I133 HydrophobicContact CE2-CG2 4.04Å; F38-I133 HydrophobicContact CZ-CG2 3.66Å; L107-I133 HydrophobicContact CD2-CD1 3.74Å; I133-E135 PolarHBondContact O-N 3.31Å; I133-I136 HydrophobicContact CB-CG1 4.49Å; I133-I136 HydrophobicContact CG2-CD1 4.36Å; I133-I136 HydrophobicContact CG2-CG1 3.77Å; I133-F146 HydrophobicContact CG2-CZ 4.04Å; I133-I150 HydrophobicContact CD1-CD1 3.19Å; I133-L175 HydrophobicContact CD1-CD1 3.81Å; I133-L175 HydrophobicContact CG1-CD1 3.96Å; I133-L176 PolarHBondContact N-O 3.06Å; I133-A177 HydrophobicContact CB-CB 4.25Å; I133-A177 CarbonylContact O-C 3.6Å; I133-A177 WeakPolarHBondContact O-CA 3.39Å; I133-T178 PolarHBondContact O-N 2.87Å
134D95.7Very high86.9Confident0 Ų038.7 Ų38.70%019%0.191CC..SBendtrans-70.2130.8170.7-16224000110.3T18 V21 F38 K39 T40 T178T18-D134 WeakPolarHBondContact CA-OD2 3.35Å; T18-D134 WeakPolarHBondContact CB-OD2 3.27Å; T18-D134 WeakPolarHBondContact CG2-OD2 3.37Å; T18-D134 PolarHBondContact OG1-OD2 3.4Å; V21-D134 HydrophobicContact CG2-CB 4.1Å; F38-D134 WeakPolarHBondContact CE2-O 3.42Å; F38-D134 PolarHBondContact O-N 2.67Å; K39-D134 HydrophobicContact CB-CB 4.07Å; T40-D134 PolarHBondContact N-OD2 3.08Å; D134-T178 WeakPolarHBondContact OD1-CB 3.49Å; D134-T178 WeakPolarHBondContact OD1-CG2 3.29Å; D134-T178 PolarHBondContact OD1-OG1 3.38Å
135E90.4Very high89.1Confident45 Ų4539 Ų3921%0.2120%0.195CC..  trans59.283.8173.4-157.278.8-156.700113.6K17 I133 G137 E140 T178K17-E135 VanDerWaalsContact CE-OE2 3.29Å; K17-E135 WeakPolarHBondContact CE-OE2 3.48Å; K17-E135 IonicContact NZ-OE2 2.74Å; K17-E135 PolarHBondContact NZ-OE2 3.28Å; I133-E135 PolarHBondContact O-N 3.31Å; E135-G137 VanDerWaalsContact C-N 3.25Å; E135-G137 PolarHBondContact O-N 3.35Å; E135-E140 WeakPolarHBondContact O-CG 3.23Å; E135-T178 CarbonylContact C-O 3.54Å; E135-T178 VanDerWaalsContact CA-O 3.31Å; E135-T178 WeakPolarHBondContact CA-O 3.21Å; E135-T178 WeakPolarHBondContact CA-OG1 3.42Å; E135-T178 PolarHBondContact N-O 2.94Å; E135-T178 PolarHBondContact N-OG1 3.04Å
136I94Very high91.3Very high0 Ų029 Ų290%015%0.151CC..  trans-78.684.5158.9-56.6178000107.2I133 L141 I150 A177 T178 V179 P180 F193 V194I133-I136 HydrophobicContact CB-CG1 4.49Å; I133-I136 HydrophobicContact CG2-CD1 4.36Å; I133-I136 HydrophobicContact CG2-CG1 3.77Å; I136-L141 HydrophobicContact CG2-CD1 4.26Å; I136-L141 HydrophobicContact CG2-CD2 4.1Å; I136-L141 HydrophobicContact CG2-CG 4.32Å; I136-I150 HydrophobicContact CD1-CG2 4.27Å; I136-A177 HydrophobicContact CD1-CB 3.56Å; I136-A177 HydrophobicContact CG1-CB 4.11Å; I136-T178 PolarHBondContact N-O 3.32Å; I136-V179 HydrophobicContact CB-CG1 4.33Å; I136-P180 WeakPolarHBondContact O-CD 3.27Å; I136-F193 HydrophobicContact CG2-CD1 4.16Å; I136-F193 HydrophobicContact CG2-CE1 4.08Å; I136-V194 HydrophobicContact CG2-CG2 4.21Å; I136-V194 WeakPolarHBondContact O-CG2 3.3Å
137G93.4Very high93.1Very high2 Ų227.8 Ų27.82%0.02115%0.146CC..SBendtrans-125.2-171.7-170.900000114.1E135 M139 E140 L141E135-G137 VanDerWaalsContact C-N 3.25Å; E135-G137 PolarHBondContact O-N 3.35Å; G137-M139 PolarHBondContact O-N 2.93Å; G137-E140 VanDerWaalsContact C-OE2 3.27Å; G137-E140 VanDerWaalsContact CA-OE2 3.25Å; G137-E140 WeakPolarHBondContact CA-OE2 3.32Å; G137-E140 PolarHBondContact N-OE2 2.65Å; G137-E140 VanDerWaalsContact N-OE2 3.14Å; G137-L141 VanDerWaalsContact O-CB 3.24Å; G137-L141 WeakPolarHBondContact O-CB 3.18Å; G137-L141 WeakPolarHBondContact O-CD1 3.41Å; G137-L141 WeakPolarHBondContact O-CG 3.34Å; G137-L141 PolarHBondContact O-N 2.65Å; G137-L141 VanDerWaalsContact O-N 3.1Å
138K92.8Very high94.1Very high121 Ų12127 Ų2753%0.52615%0.145SC..THydrogen-bonded Turntrans-62.7-30.8-177.3-65.9-172.1178.8-174.60112.9V89 C142 I191V89-K138 HydrophobicContact CG1-CB 3.96Å; V89-K138 HydrophobicContact CG1-CD 4.47Å; V89-K138 HydrophobicContact CG2-CB 4.31Å; K138-C142 PolarHBondContact O-SG 3.14Å; K138-I191 HydrophobicContact CD-CD1 4.4Å; K138-I191 HydrophobicContact CD-CG1 4.42Å; K138-I191 HydrophobicContact CG-CD1 3.46Å; K138-I191 VanDerWaalsContact CG-CD1 3.46Å; K138-I191 HydrophobicContact CG-CG1 3.78Å
139M94Very high94.6Very high24 Ų2427.6 Ų27.612%0.11815%0.149CC..THydrogen-bonded Turntrans-78.4-46.2-174.5-67.2-174.2-177.500110.7F56 L72 A73 V89 Y92 V94 G137 C142F56-M139 HydrophobicContact CD2-CE 4.07Å; F56-M139 HydrophobicContact CD2-SD 3.73Å; F56-M139 HydrophobicContact CE2-CE 3.72Å; F56-M139 HydrophobicContact CE2-SD 3.98Å; F56-M139 HydrophobicContact CG-SD 4.45Å; L72-M139 HydrophobicContact CD1-CB 4.45Å; L72-M139 HydrophobicContact CD2-CB 4.27Å; L72-M139 HydrophobicContact CG-CB 4.43Å; A73-M139 HydrophobicContact CB-SD 3.94Å; V89-M139 HydrophobicContact CB-CE 4.08Å; V89-M139 HydrophobicContact CB-CG 3.95Å; V89-M139 HydrophobicContact CG1-CE 3.98Å; V89-M139 HydrophobicContact CG1-CG 4.05Å; V89-M139 HydrophobicContact CG2-CG 4.04Å; Y92-M139 HydrophobicContact CD2-CE 3.49Å; Y92-M139 VanDerWaalsContact CD2-CE 3.49Å; Y92-M139 HydrophobicContact CE2-CE 4.28Å; Y92-M139 HydrophobicContact CG-CE 3.91Å; V94-M139 HydrophobicContact CG2-CB 4.32Å; V94-M139 HydrophobicContact CG2-CG 4.29Å; G137-M139 PolarHBondContact O-N 2.93Å; M139-C142 VanDerWaalsContact O-CB 3.26Å; M139-C142 WeakPolarHBondContact O-CB 3.46Å; M139-C142 PolarHBondContact O-N 2.67Å
140E94.9Very high95Very high5 Ų527.3 Ų27.32%0.02315%0.147CC..G310 helixtrans-66.8-39.7179.7-58.276.3-163.200110.6L72 F99 E135 G137 C142 S143 F146L72-E140 HydrophobicContact CD2-CG 4.33Å; L72-E140 VanDerWaalsContact CD2-OE1 3.27Å; L72-E140 WeakPolarHBondContact CD2-OE1 3.42Å; F99-E140 HydrophobicContact CE1-CB 4.44Å; F99-E140 HydrophobicContact CE2-CG 4.26Å; F99-E140 HydrophobicContact CZ-CB 3.95Å; F99-E140 HydrophobicContact CZ-CG 4.17Å; E135-E140 WeakPolarHBondContact O-CG 3.23Å; G137-E140 VanDerWaalsContact C-OE2 3.27Å; G137-E140 VanDerWaalsContact CA-OE2 3.25Å; G137-E140 WeakPolarHBondContact CA-OE2 3.32Å; G137-E140 PolarHBondContact N-OE2 2.65Å; G137-E140 VanDerWaalsContact N-OE2 3.14Å; E140-C142 PolarHBondContact O-N 2.9Å; E140-S143 PolarHBondContact O-N 2.72Å; E140-S143 VanDerWaalsContact O-N 3.12Å; E140-F146 HydrophobicContact CB-CD1 4.12Å; E140-F146 HydrophobicContact CB-CE1 3.72Å; E140-F146 HydrophobicContact CB-CZ 4.3Å; E140-F146 WeakPolarHBondContact O-CD1 3.26Å
141L96.4Very high95.1Very high30 Ų3030.9 Ų30.916%0.15716%0.164CC..G310 helixtrans-74.40.5177.3-62.8173.1000114.1I136 G137 S143 F146 T147 I191 F193 V194I136-L141 HydrophobicContact CG2-CD1 4.26Å; I136-L141 HydrophobicContact CG2-CD2 4.1Å; I136-L141 HydrophobicContact CG2-CG 4.32Å; G137-L141 VanDerWaalsContact O-CB 3.24Å; G137-L141 WeakPolarHBondContact O-CB 3.18Å; G137-L141 WeakPolarHBondContact O-CD1 3.41Å; G137-L141 WeakPolarHBondContact O-CG 3.34Å; G137-L141 PolarHBondContact O-N 2.65Å; G137-L141 VanDerWaalsContact O-N 3.1Å; L141-S143 PolarHBondContact O-N 3.29Å; L141-F146 HydrophobicContact CD2-CD1 4.33Å; L141-F146 HydrophobicContact CD2-CE1 4.3Å; L141-T147 HydrophobicContact CD2-CG2 4.16Å; L141-T147 WeakPolarHBondContact CD2-OG1 3.31Å; L141-I191 HydrophobicContact CD1-CG2 3.61Å; L141-F193 HydrophobicContact CD1-CB 3.98Å; L141-F193 HydrophobicContact CD1-CD1 3.79Å; L141-F193 HydrophobicContact CD1-CG 4.21Å; L141-F193 HydrophobicContact CD2-CD1 3.44Å; L141-F193 VanDerWaalsContact CD2-CD1 3.44Å; L141-F193 HydrophobicContact CD2-CE1 3.68Å; L141-F193 HydrophobicContact CD2-CG 4.05Å; L141-F193 HydrophobicContact CD2-CZ 4.49Å; L141-F193 HydrophobicContact CG-CD1 4.28Å; L141-V194 HydrophobicContact CD1-CG2 3.82Å
142C95.3Very high95Very high37 Ų3736.1 Ų36.125%0.2519%0.187CC..G310 helixtrans-68.1-22.7164.6-69.90000111.7P87 V94 I96 K138 M139 E140P87-C142 HydrophobicContact CB-CB 4.3Å; P87-C142 HydrophobicContact CG-CB 3.76Å; V94-C142 HydrophobicContact CG1-CB 4.09Å; I96-C142 HydrophobicContact CD1-CB 4.29Å; I96-C142 WeakPolarHBondContact CD1-O 3.44Å; I96-C142 HydrophobicContact CG1-CB 4.36Å; K138-C142 PolarHBondContact O-SG 3.14Å; M139-C142 VanDerWaalsContact O-CB 3.26Å; M139-C142 WeakPolarHBondContact O-CB 3.46Å; M139-C142 PolarHBondContact O-N 2.67Å; E140-C142 PolarHBondContact O-N 2.9Å
143S95.7Very high94.8Very high1 Ų136.2 Ų36.21%0.00719%0.187CC..  trans-85.3113.6169.9172.10000110.2E100 E140 L141 K145 F146 T147E100-S143 WeakPolarHBondContact CG-OG 3.34Å; E100-S143 WeakPolarHBondContact OE1-CB 3.14Å; E100-S143 PolarHBondContact OE1-OG 3.49Å; E140-S143 PolarHBondContact O-N 2.72Å; E140-S143 VanDerWaalsContact O-N 3.12Å; L141-S143 PolarHBondContact O-N 3.29Å; S143-K145 VanDerWaalsContact C-N 3.3Å; S143-K145 PolarHBondContact O-N 3.02Å; S143-K145 PolarHBondContact OG-N 2.71Å; S143-F146 PolarHBondContact O-N 3.02Å; S143-F146 WeakPolarHBondContact OG-CB 3.44Å; S143-F146 PolarHBondContact OG-N 2.98Å; S143-T147 PolarHBondContact O-N 3.34Å; S143-T147 PolarHBondContact O-OG1 2.92Å
144S95Very high94.6Very high94 Ų9436.6 Ų36.666%0.65719%0.189SC*.Hα-helixtrans-65.7-34.1173.457.40000112.1T147 C148S144-T147 PolarHBondContact O-N 3.43Å; S144-C148 WeakPolarHBondContact O-CB 3.35Å; S144-C148 PolarHBondContact O-N 3.15Å
145K96.5Very high94.3Very high119 Ų11939.5 Ų39.552%0.51721%0.21SC..Hα-helixtrans-63.4-46.7175.5-64-174.4-163150.90111.1E100 I104 S143 C148 L149E100-K145 WeakPolarHBondContact OE2-CD 3.49Å; E100-K145 WeakPolarHBondContact OE2-CE 3.21Å; E100-K145 IonicContact OE2-NZ 2.78Å; E100-K145 PolarHBondContact OE2-NZ 3.13Å; I104-K145 HydrophobicContact CD1-CB 3.73Å; I104-K145 HydrophobicContact CG1-CB 4.47Å; S143-K145 VanDerWaalsContact C-N 3.3Å; S143-K145 PolarHBondContact O-N 3.02Å; S143-K145 PolarHBondContact OG-N 2.71Å; K145-C148 PolarHBondContact O-N 3.44Å; K145-L149 WeakPolarHBondContact O-CG 3.1Å; K145-L149 PolarHBondContact O-N 2.68Å
146F97.1Very high94Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-58.9-49.8175.7173.3-103.2000110.6F38 F99 A103 I104 L107 I133 E140 L141 S143 C148 L149 I150F38-F146 AromaticContact CE1-CE2 3.73Å; F38-F146 HydrophobicContact CE1-CE2 3.73Å; F38-F146 HydrophobicContact CE1-CZ 4.38Å; F38-F146 AromaticContact CZ-CE2 3.65Å; F38-F146 HydrophobicContact CZ-CE2 3.65Å; F38-F146 AromaticContact CZ-CZ 3.87Å; F38-F146 HydrophobicContact CZ-CZ 3.87Å; F99-F146 HydrophobicContact CE1-CB 3.78Å; F99-F146 HydrophobicContact CE1-CD1 4.23Å; F99-F146 AromaticContact CE1-CD2 3.97Å; F99-F146 HydrophobicContact CE1-CD2 3.97Å; F99-F146 AromaticContact CE1-CG 3.73Å; F99-F146 HydrophobicContact CE1-CG 3.73Å; F99-F146 HydrophobicContact CZ-CB 4.37Å; F99-F146 HydrophobicContact CZ-CD1 4.21Å; F99-F146 AromaticContact CZ-CD2 3.68Å; F99-F146 HydrophobicContact CZ-CD2 3.68Å; F99-F146 HydrophobicContact CZ-CE1 4.46Å; F99-F146 AromaticContact CZ-CE2 3.95Å; F99-F146 HydrophobicContact CZ-CE2 3.95Å; F99-F146 AromaticContact CZ-CG 3.82Å; F99-F146 HydrophobicContact CZ-CG 3.82Å; F99-F146 HydrophobicContact CZ-CZ 4.33Å; A103-F146 HydrophobicContact CB-CD2 4.3Å; I104-F146 HydrophobicContact CD1-CB 4.16Å; L107-F146 HydrophobicContact CD1-CD2 3.65Å; L107-F146 HydrophobicContact CD1-CE2 3.64Å; I133-F146 HydrophobicContact CG2-CZ 4.04Å; E140-F146 HydrophobicContact CB-CD1 4.12Å; E140-F146 HydrophobicContact CB-CE1 3.72Å; E140-F146 HydrophobicContact CB-CZ 4.3Å; E140-F146 WeakPolarHBondContact O-CD1 3.26Å; L141-F146 HydrophobicContact CD2-CD1 4.33Å; L141-F146 HydrophobicContact CD2-CE1 4.3Å; S143-F146 PolarHBondContact O-N 3.02Å; S143-F146 WeakPolarHBondContact OG-CB 3.44Å; S143-F146 PolarHBondContact OG-N 2.98Å; F146-C148 VanDerWaalsContact C-N 3.32Å; F146-C148 PolarHBondContact O-N 3.4Å; F146-L149 PolarHBondContact O-N 3.17Å; F146-I150 HydrophobicContact CD1-CG1 4.23Å; F146-I150 HydrophobicContact CD2-CG1 4.34Å; F146-I150 HydrophobicContact CE1-CD1 4.39Å; F146-I150 HydrophobicContact CE1-CG1 3.82Å; F146-I150 HydrophobicContact CE2-CD1 3.79Å; F146-I150 HydrophobicContact CE2-CG1 3.93Å; F146-I150 HydrophobicContact CG-CG1 4.48Å; F146-I150 HydrophobicContact CZ-CD1 3.72Å; F146-I150 HydrophobicContact CZ-CG1 3.66Å; F146-I150 WeakPolarHBondContact O-CG1 3.5Å; F146-I150 PolarHBondContact O-N 3.26Å
147T96.5Very high93.7Very high26 Ų2639.6 Ų39.616%0.1621%0.214CC..Hα-helixtrans-53.2-48177.3-54.90000111.8L141 S143 S144 L149 I150 E151 F193L141-T147 HydrophobicContact CD2-CG2 4.16Å; L141-T147 WeakPolarHBondContact CD2-OG1 3.31Å; S143-T147 PolarHBondContact O-N 3.34Å; S143-T147 PolarHBondContact O-OG1 2.92Å; S144-T147 PolarHBondContact O-N 3.43Å; T147-L149 PolarHBondContact O-N 2.61Å; T147-I150 PolarHBondContact O-N 2.71Å; T147-E151 WeakPolarHBondContact O-CG 3.41Å; T147-E151 PolarHBondContact O-N 2.86Å; T147-F193 HydrophobicContact CG2-CD2 3.53Å; T147-F193 HydrophobicContact CG2-CE1 4.4Å; T147-F193 HydrophobicContact CG2-CE2 3.34Å; T147-F193 HydrophobicContact CG2-CG 4.17Å; T147-F193 HydrophobicContact CG2-CZ 3.83Å
148C96.5Very high93.2Very high54 Ų5441.4 Ų41.437%0.36523%0.227SC..Hα-helixtrans-62.7-39.2177.6-177.20000112.6S144 K145 F146 E151 K152S144-C148 WeakPolarHBondContact O-CB 3.35Å; S144-C148 PolarHBondContact O-N 3.15Å; K145-C148 PolarHBondContact O-N 3.44Å; F146-C148 VanDerWaalsContact C-N 3.32Å; F146-C148 PolarHBondContact O-N 3.4Å; C148-E151 PolarHBondContact O-N 3.33Å; C148-K152 WeakPolarHBondContact O-CG 3.46Å; C148-K152 PolarHBondContact O-N 3.44Å
149L95.6Very high92.4Very high16 Ų1642 Ų428%0.08424%0.236CC..Hα-helixtrans-68.3-36.6176.8-68.7175.1000112.4I104 L107 Q108 I111 K145 F146 T147 E151 K152 L153I104-L149 HydrophobicContact CB-CD1 4.35Å; I104-L149 HydrophobicContact CD1-CD1 3.54Å; I104-L149 HydrophobicContact CG2-CD1 3.95Å; L107-L149 HydrophobicContact CB-CB 4.27Å; L107-L149 HydrophobicContact CB-CD1 4.03Å; L107-L149 HydrophobicContact CD1-CB 4Å; L107-L149 HydrophobicContact CD1-CD1 4.45Å; Q108-L149 HydrophobicContact CG-CD1 4.02Å; Q108-L149 HydrophobicContact CG-CD2 4.05Å; I111-L149 HydrophobicContact CD1-CB 4.32Å; I111-L149 HydrophobicContact CD1-CD2 3.79Å; K145-L149 WeakPolarHBondContact O-CG 3.1Å; K145-L149 PolarHBondContact O-N 2.68Å; F146-L149 PolarHBondContact O-N 3.17Å; T147-L149 PolarHBondContact O-N 2.61Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-K152 PolarHBondContact O-N 2.93Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.49Å
150I95.6Very high91.2Very high0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-63.5-42.7173.2-62.3-58.5000110.7L107 I133 I136 F146 T147 L153 I154 F193 I197L107-I150 HydrophobicContact CD1-CD1 3.8Å; L107-I150 HydrophobicContact CD1-CG1 4.48Å; L107-I150 HydrophobicContact CD2-CD1 4.49Å; I133-I150 HydrophobicContact CD1-CD1 3.19Å; I136-I150 HydrophobicContact CD1-CG2 4.27Å; F146-I150 HydrophobicContact CD1-CG1 4.23Å; F146-I150 HydrophobicContact CD2-CG1 4.34Å; F146-I150 HydrophobicContact CE1-CD1 4.39Å; F146-I150 HydrophobicContact CE1-CG1 3.82Å; F146-I150 HydrophobicContact CE2-CD1 3.79Å; F146-I150 HydrophobicContact CE2-CG1 3.93Å; F146-I150 HydrophobicContact CG-CG1 4.48Å; F146-I150 HydrophobicContact CZ-CD1 3.72Å; F146-I150 HydrophobicContact CZ-CG1 3.66Å; F146-I150 WeakPolarHBondContact O-CG1 3.5Å; F146-I150 PolarHBondContact O-N 3.26Å; T147-I150 PolarHBondContact O-N 2.71Å; I150-L153 PolarHBondContact O-N 2.92Å; I150-I154 HydrophobicContact CG2-CD1 3.68Å; I150-I154 HydrophobicContact CG2-CG1 4.37Å; I150-I154 WeakPolarHBondContact O-CB 3.24Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.4Å; I150-I154 PolarHBondContact O-N 3.43Å; I150-F193 HydrophobicContact CB-CE1 4.26Å; I150-F193 HydrophobicContact CB-CZ 3.96Å; I150-F193 HydrophobicContact CG2-CE1 3.81Å; I150-F193 HydrophobicContact CG2-CZ 3.74Å; I150-I197 HydrophobicContact CG2-CD1 4.04Å
151E94.4Very high89.4Confident75 Ų7545 Ų4535%0.3526%0.255SS..Hα-helixtrans-59.4-49.1174.5-69.1177158.300111.3T147 C148 L149 L153 I154 S155 F193 R196T147-E151 WeakPolarHBondContact O-CG 3.41Å; T147-E151 PolarHBondContact O-N 2.86Å; C148-E151 PolarHBondContact O-N 3.33Å; L149-E151 VanDerWaalsContact C-N 3.34Å; E151-L153 VanDerWaalsContact C-N 3.35Å; E151-L153 PolarHBondContact O-N 2.96Å; E151-I154 PolarHBondContact O-N 2.79Å; E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.41Å; E151-S155 PolarHBondContact O-OG 3Å; E151-S155 VanDerWaalsContact O-OG 3.12Å; E151-F193 HydrophobicContact CG-CE2 3.44Å; E151-F193 VanDerWaalsContact CG-CE2 3.44Å; E151-F193 HydrophobicContact CG-CZ 3.88Å; E151-F193 WeakPolarHBondContact OE1-CE2 3.43Å; E151-R196 IonicContact OE1-CZ 3.7Å; E151-R196 IonicContact OE1-NH1 2.67Å; E151-R196 IonicContact OE1-NH2 3.92Å; E151-R196 PolarHBondContact OE1-NH2 2.89Å
152K92.4Very high87.4Confident110 Ų11049 Ų4948%0.47828%0.281SS..Hα-helixtrans-58.9-45.7177.2-73.7-179.2178.4-169.80112I111 C148 L149 I154 S155 S156I111-K152 HydrophobicContact CD1-CB 4.11Å; C148-K152 WeakPolarHBondContact O-CG 3.46Å; C148-K152 PolarHBondContact O-N 3.44Å; L149-K152 PolarHBondContact O-N 2.93Å; K152-I154 PolarHBondContact O-N 3.4Å; K152-S155 PolarHBondContact O-N 2.81Å; K152-S156 WeakPolarHBondContact O-CB 3.5Å; K152-S156 PolarHBondContact O-N 3.04Å; K152-S156 PolarHBondContact O-OG 2.83Å; K152-S156 VanDerWaalsContact O-OG 3.08Å
153L91.8Very high85.4Confident1 Ų152.4 Ų52.41%0.00530%0.297CS..Hα-helixtrans-59.9-47.5178.217962000111.1L107 I110 L114 C131 L149 I150 E151 S156 I157 V173 L175L107-L153 HydrophobicContact CD2-CD2 4.35Å; I110-L153 HydrophobicContact CG2-CD1 4.13Å; L114-L153 HydrophobicContact CD1-CD1 4.27Å; C131-L153 HydrophobicContact CB-CD2 4.21Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.49Å; I150-L153 PolarHBondContact O-N 2.92Å; E151-L153 VanDerWaalsContact C-N 3.35Å; E151-L153 PolarHBondContact O-N 2.96Å; L153-S156 PolarHBondContact O-N 2.81Å; L153-I157 HydrophobicContact CD1-CD1 4.03Å; L153-I157 HydrophobicContact CD1-CG1 4.42Å; L153-I157 HydrophobicContact CG-CD1 3.94Å; L153-I157 VanDerWaalsContact O-CG1 3.23Å; L153-I157 WeakPolarHBondContact O-CG1 3.44Å; L153-I157 PolarHBondContact O-N 2.95Å; L153-V173 HydrophobicContact CD1-CG1 4.2Å; L153-L175 HydrophobicContact CD2-CD1 4.1Å; L153-L175 HydrophobicContact CD2-CD2 4.47Å
154I92.1Very high83.2Confident8 Ų856.3 Ų56.34%0.04134%0.337CS..Hα-helixtrans-61.9-47.1177.7-72.3169.2000110.7I6 I150 E151 K152 S156 I157 S158 L175 I197 M200I6-I154 HydrophobicContact CD1-CB 4.46Å; I6-I154 HydrophobicContact CD1-CG1 4.35Å; I6-I154 HydrophobicContact CD1-CG2 3.87Å; I150-I154 HydrophobicContact CG2-CD1 3.68Å; I150-I154 HydrophobicContact CG2-CG1 4.37Å; I150-I154 WeakPolarHBondContact O-CB 3.24Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.4Å; I150-I154 PolarHBondContact O-N 3.43Å; E151-I154 PolarHBondContact O-N 2.79Å; K152-I154 PolarHBondContact O-N 3.4Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 2.83Å; I154-I157 PolarHBondContact O-N 2.79Å; I154-S158 WeakPolarHBondContact O-CB 3.37Å; I154-S158 PolarHBondContact O-N 2.86Å; I154-S158 PolarHBondContact O-OG 3.3Å; I154-L175 HydrophobicContact CD1-CD2 4.44Å; I154-L175 HydrophobicContact CG1-CD2 3.9Å; I154-I197 HydrophobicContact CD1-CD1 3.56Å; I154-I197 HydrophobicContact CD1-CG1 3.73Å; I154-I197 HydrophobicContact CD1-CG2 3.95Å; I154-M200 HydrophobicContact CG2-CE 3.55Å; I154-M200 HydrophobicContact CG2-SD 3.65Å
155S89.5Confident80.9Confident62 Ų6259.5 Ų59.543%0.43434%0.341SS..Hα-helixtrans-60.5-42.3177.3-66.10000112.2E151 K152 I157 S158 N159E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.41Å; E151-S155 PolarHBondContact O-OG 3Å; E151-S155 VanDerWaalsContact O-OG 3.12Å; K152-S155 PolarHBondContact O-N 2.81Å; S155-I157 VanDerWaalsContact C-N 3.34Å; S155-I157 PolarHBondContact O-N 3.42Å; S155-S158 PolarHBondContact O-N 3.27Å; S155-N159 WeakPolarHBondContact O-CB 3.37Å; S155-N159 PolarHBondContact O-N 3.12Å; S155-N159 PolarHBondContact O-ND2 2.82Å; S155-N159 VanDerWaalsContact O-ND2 3.15Å
156S85.6Confident78.8Confident37 Ų3757.2 Ų57.226%0.25933%0.329SS..Hα-helixtrans-63.4-40.5175.3-64.60000111.5K152 L153 I154 L160K152-S156 WeakPolarHBondContact O-CB 3.5Å; K152-S156 PolarHBondContact O-N 3.04Å; K152-S156 PolarHBondContact O-OG 2.83Å; K152-S156 VanDerWaalsContact O-OG 3.08Å; L153-S156 PolarHBondContact O-N 2.81Å; I154-S156 VanDerWaalsContact C-N 3.34Å; I154-S156 PolarHBondContact O-N 2.83Å; S156-L160 WeakPolarHBondContact O-CG 3.5Å; S156-L160 PolarHBondContact O-N 3.48Å
157I85.9Confident76.5Confident9 Ų964.6 Ų64.65%0.04637%0.369CS..Hα-helixtrans-65.5-42.6176.5-67164.4000111.4N5 I6 L153 I154 S155 V173 L175N5-I157 HydrophobicContact CB-CG2 3.52Å; I6-I157 HydrophobicContact CD1-CG2 4.29Å; I6-I157 HydrophobicContact CG1-CD1 4.49Å; I6-I157 HydrophobicContact CG1-CG2 3.88Å; L153-I157 HydrophobicContact CD1-CD1 4.03Å; L153-I157 HydrophobicContact CD1-CG1 4.42Å; L153-I157 HydrophobicContact CG-CD1 3.94Å; L153-I157 VanDerWaalsContact O-CG1 3.23Å; L153-I157 WeakPolarHBondContact O-CG1 3.44Å; L153-I157 PolarHBondContact O-N 2.95Å; I154-I157 PolarHBondContact O-N 2.79Å; S155-I157 VanDerWaalsContact C-N 3.34Å; S155-I157 PolarHBondContact O-N 3.42Å; I157-V173 HydrophobicContact CD1-CG1 3.93Å; I157-V173 HydrophobicContact CG1-CB 4.09Å; I157-V173 HydrophobicContact CG1-CG1 3.95Å; I157-L175 HydrophobicContact CD1-CB 3.65Å
158S83.1Confident74.3Confident40 Ų4070.6 Ų70.628%0.2840%0.398SS..Hα-helixtrans-70.1-32.4-179.3-68.90000113.6I154 S155 L160I154-S158 WeakPolarHBondContact O-CB 3.37Å; I154-S158 PolarHBondContact O-N 2.86Å; I154-S158 PolarHBondContact O-OG 3.3Å; S155-S158 PolarHBondContact O-N 3.27Å; S158-L160 VanDerWaalsContact C-N 3.35Å
159N76.8Confident72.3Confident134 Ų13473.2 Ų73.272%0.71740%0.404SS*.Hα-helixtrans-84.5-7.2-179.3-69.1-27.1000113.5S155S155-N159 WeakPolarHBondContact O-CB 3.37Å; S155-N159 PolarHBondContact O-N 3.12Å; S155-N159 PolarHBondContact O-ND2 2.82Å; S155-N159 VanDerWaalsContact O-ND2 3.15Å
160L68.6Low70.7Confident38 Ų3876.4 Ų76.420%0.19942%0.418CS..SBendtrans-64.6132.7175.7-80.4161.4000109.9S156 S158 T162 H170S156-L160 WeakPolarHBondContact O-CG 3.5Å; S156-L160 PolarHBondContact O-N 3.48Å; S158-L160 VanDerWaalsContact C-N 3.35Å; L160-T162 PolarHBondContact O-N 3.19Å; L160-H170 HydrophobicContact CD2-CB 4.15Å
161P56.6Low69.4Low55 Ų5576.9 Ų76.936%0.35742%0.421SS..PPolyproline II helixtrans-57.9128.2179.719.7-29.1000110.5Q165P161-Q165 HydrophobicContact CB-CB 4.44Å
162T54.6Low68.8Low113 Ų11374 Ų7469%0.69341%0.409SS*.PPolyproline II helixtrans-67.8155.5175.7540000110.5L160 G164 Q165L160-T162 PolarHBondContact O-N 3.19Å; T162-G164 PolarHBondContact O-N 3.2Å; T162-Q165 PolarHBondContact O-N 3.1Å; T162-Q165 VanDerWaalsContact O-N 3.13Å
163N53.5Low68.5Low109 Ų10968.8 Ų68.858%0.58339%0.386SS*.THydrogen-bonded Turntrans-36.2-20.2-166.8-64.4-8.2000119.3R166N163-R166 PolarHBondContact OD1-NH2 2.89Å
164G49.7Very low68.5Low82 Ų8268.8 Ų68.885%0.84539%0.386SS*.THydrogen-bonded Turntrans-87.6-9.4-178.700000116.4T162T162-G164 PolarHBondContact O-N 3.2Å
165Q47.4Very low68.7Low162 Ų16268.4 Ų68.476%0.75738%0.384SS*.SBendtrans-129.929.8-175.2-145.8171.113.500112.4P161 T162 D167P161-Q165 HydrophobicContact CB-CB 4.44Å; T162-Q165 PolarHBondContact O-N 3.1Å; T162-Q165 VanDerWaalsContact O-N 3.13Å; Q165-D167 PolarHBondContact O-N 3.41Å
166R51.9Low69Low70 Ų7065.5 Ų65.526%0.26436%0.364SS..  trans-87.386.8176.5-73.9-167.2-79.6172.70.4109.5N163 I168 T172 S230N163-R166 PolarHBondContact OD1-NH2 2.89Å; R166-I168 PolarHBondContact O-N 3.37Å; R166-T172 PolarHBondContact NH1-OG1 3.04Å; R166-S230 PolarHBondContact NH1-OXT 3.37Å; R166-S230 VanDerWaalsContact NH2-CB 3.27Å; R166-S230 PolarHBondContact NH2-O 3.12Å; R166-S230 PolarHBondContact NH2-OXT 2.83Å
167D49.1Very low69.6Low156 Ų15663.7 Ų63.783%0.83435%0.351SS*.  trans-61.5120.8149.2-83.5-38.7000107.1Q165 K169Q165-D167 PolarHBondContact O-N 3.41Å; D167-K169 PolarHBondContact O-N 3.16Å
168I49.1Very low70.1Confident151 Ų15163.3 Ų63.377%0.77435%0.349SS*.THydrogen-bonded Turntrans-47.9104.5-170.7-59.9156.3000110.1R166R166-I168 PolarHBondContact O-N 3.37Å
169K55.9Low70.7Confident110 Ų11061.4 Ų61.448%0.47834%0.336SS..THydrogen-bonded Turntrans175.1-9.9148.1-100156.4-162173.20118.8V117 N121 D167V117-K169 WeakPolarHBondContact CG1-O 3.4Å; N121-K169 VanDerWaalsContact OD1-CE 3.23Å; N121-K169 WeakPolarHBondContact OD1-CE 3.28Å; N121-K169 PolarHBondContact OD1-NZ 3.25Å; D167-K169 PolarHBondContact O-N 3.16Å
170H60.6Low71.5Confident83 Ų8355.9 Ų55.938%0.38431%0.307SS..PPolyproline II helixtrans-79.6137.4-179.8-70.3-68.6000112.6L160L160-H170 HydrophobicContact CD2-CB 4.15Å
171P68.8Low72.6Confident9 Ų954.9 Ų54.96%0.05830%0.304CS..PPolyproline II helixtrans-67.1137.2173.529.2-33.2000109.6L114 V117 N127 I129L114-P171 HydrophobicContact CD2-CG 3.96Å; V117-P171 HydrophobicContact CB-CG 4.29Å; V117-P171 HydrophobicContact CG2-CG 4.16Å; N127-P171 CarbonylContact O-C 3.52Å; N127-P171 WeakPolarHBondContact O-CA 3.19Å; N127-P171 WeakPolarHBondContact O-CB 3.21Å; I129-P171 HydrophobicContact CD1-CB 4.31Å
172T81.2Confident74.1Confident16 Ų1654.5 Ų54.510%0.09830%0.301CS..EExtended strand (participates in β ladder)trans-80.4126.2169.5-58.30000108.3N127 L128 I129 R166 C227N127-T172 PolarHBondContact O-N 3.21Å; L128-T172 WeakPolarHBondContact CA-O 3.47Å; L128-T172 HydrophobicContact CD1-CG2 3.93Å; I129-T172 PolarHBondContact N-O 3.49Å; R166-T172 PolarHBondContact NH1-OG1 3.04Å; T172-C227 HydrophobicContact CG2-CB 4.18Å
173V86.6Confident75.4Confident0 Ų056.7 Ų56.70%030%0.301CS..EExtended strand (participates in β ladder)trans-111.1129174.4178.20000109.7N5 L114 I129 L153 I157N5-V173 WeakPolarHBondContact CB-O 3.47Å; L114-V173 HydrophobicContact CD1-CB 4.46Å; L114-V173 HydrophobicContact CD1-CG2 3.91Å; L114-V173 HydrophobicContact CD2-CB 4.21Å; L114-V173 HydrophobicContact CD2-CG2 3.17Å; L114-V173 HydrophobicContact CG-CG2 3.75Å; I129-V173 HydrophobicContact CB-CG2 4.19Å; I129-V173 WeakPolarHBondContact O-CA 3.49Å; L153-V173 HydrophobicContact CD1-CG1 4.2Å; I157-V173 HydrophobicContact CD1-CG1 3.93Å; I157-V173 HydrophobicContact CG1-CB 4.09Å; I157-V173 HydrophobicContact CG1-CG1 3.95Å
174V92.1Very high76.8Confident1 Ų157.9 Ų57.91%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-113.4125.4172.1179.10000108.8N5 L7 L128 I129 V130 C131 I224 C227N5-V174 HydrophobicContact CB-CG2 4.44Å; N5-V174 CarbonylContact O-C 3.53Å; N5-V174 VanDerWaalsContact O-CA 3.32Å; N5-V174 WeakPolarHBondContact O-CA 3.39Å; L7-V174 HydrophobicContact CD1-CG1 4.3Å; L7-V174 HydrophobicContact CG-CG1 4.42Å; L128-V174 HydrophobicContact CD1-CG2 3.8Å; I129-V174 PolarHBondContact O-N 3.49Å; V130-V174 CarbonylContact C-O 3.52Å; V130-V174 WeakPolarHBondContact CA-O 3.09Å; C131-V174 PolarHBondContact N-O 3.03Å; V174-I224 HydrophobicContact CG1-CG1 4.04Å; V174-C227 HydrophobicContact CG2-CB 4.15Å
175L95.3Very high78.3Confident0 Ų060.9 Ų60.90%030%0.302CS..EExtended strand (participates in β ladder)trans-94.2116.5170.6173.660.2000108.8N5 I6 L7 C131 I133 L153 I154 I157 A177N5-L175 PolarHBondContact O-N 3.41Å; I6-L175 HydrophobicContact CG2-CD2 4.3Å; L7-L175 PolarHBondContact N-O 2.68Å; C131-L175 HydrophobicContact CB-CD1 4.26Å; C131-L175 WeakPolarHBondContact O-CA 3.39Å; I133-L175 HydrophobicContact CD1-CD1 3.81Å; I133-L175 HydrophobicContact CG1-CD1 3.96Å; L153-L175 HydrophobicContact CD2-CD1 4.1Å; L153-L175 HydrophobicContact CD2-CD2 4.47Å; I154-L175 HydrophobicContact CD1-CD2 4.44Å; I154-L175 HydrophobicContact CG1-CD2 3.9Å; I157-L175 HydrophobicContact CD1-CB 3.65Å; L175-A177 HydrophobicContact CD1-CB 4.25Å; L175-A177 HydrophobicContact CG-CB 4.38Å
176L97Very high80.1Confident0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-105.4112.4165.6174.462.8000108L7 V9 V21 V24 C131 I132 I133 V220 I224L7-L176 HydrophobicContact CB-CD1 3.88Å; L7-L176 WeakPolarHBondContact O-CA 3.19Å; V9-L176 HydrophobicContact CG2-CD1 3.84Å; V21-L176 HydrophobicContact CG1-CD2 4.23Å; V21-L176 HydrophobicContact CG1-CG 4.3Å; V24-L176 HydrophobicContact CB-CD2 4.08Å; V24-L176 HydrophobicContact CG1-CD2 3.65Å; V24-L176 HydrophobicContact CG2-CD2 4.43Å; C131-L176 PolarHBondContact O-N 3.33Å; I132-L176 CarbonylContact C-O 3.51Å; I132-L176 VanDerWaalsContact CA-O 3.24Å; I132-L176 WeakPolarHBondContact CA-O 3.33Å; I132-L176 HydrophobicContact CG1-CB 4.39Å; I132-L176 HydrophobicContact CG1-CD2 4.42Å; I132-L176 HydrophobicContact CG2-CD2 4.41Å; I133-L176 PolarHBondContact N-O 3.06Å; L176-V220 HydrophobicContact CD1-CG1 3.85Å; L176-V220 HydrophobicContact CD2-CG1 3.92Å; L176-I224 HydrophobicContact CD2-CD1 4.31Å
177A97.5Very high81.5Confident0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-125151.3178.700000111.7L7 L8 V9 I133 I136 L175L7-A177 PolarHBondContact O-N 3.38Å; L8-A177 CarbonylContact C-O 3.52Å; L8-A177 WeakPolarHBondContact CA-O 3.41Å; L8-A177 HydrophobicContact CD2-CB 4.02Å; V9-A177 PolarHBondContact N-O 3.13Å; I133-A177 HydrophobicContact CB-CB 4.25Å; I133-A177 CarbonylContact O-C 3.6Å; I133-A177 WeakPolarHBondContact O-CA 3.39Å; I136-A177 HydrophobicContact CD1-CB 3.56Å; I136-A177 HydrophobicContact CG1-CB 4.11Å; L175-A177 HydrophobicContact CD1-CB 4.25Å; L175-A177 HydrophobicContact CG-CB 4.38Å
178T97.1Very high83.2Confident0 Ų051.1 Ų51.10%027%0.271CS..EExtended strand (participates in β ladder)trans-100.6142.5166.587.10000110.4V9 K17 V21 I133 D134 E135 I136V9-T178 HydrophobicContact CB-CG2 4.24Å; V9-T178 CarbonylContact O-C 3.47Å; V9-T178 WeakPolarHBondContact O-CA 3.17Å; K17-T178 HydrophobicContact CB-CG2 4.11Å; V21-T178 HydrophobicContact CB-CG2 4.42Å; V21-T178 HydrophobicContact CG1-CG2 3.29Å; V21-T178 HydrophobicContact CG2-CG2 4.27Å; I133-T178 PolarHBondContact O-N 2.87Å; D134-T178 WeakPolarHBondContact OD1-CB 3.49Å; D134-T178 WeakPolarHBondContact OD1-CG2 3.29Å; D134-T178 PolarHBondContact OD1-OG1 3.38Å; E135-T178 CarbonylContact C-O 3.54Å; E135-T178 VanDerWaalsContact CA-O 3.31Å; E135-T178 WeakPolarHBondContact CA-O 3.21Å; E135-T178 WeakPolarHBondContact CA-OG1 3.42Å; E135-T178 PolarHBondContact N-O 2.94Å; E135-T178 PolarHBondContact N-OG1 3.04Å; I136-T178 PolarHBondContact N-O 3.32Å
179V96.2Very high85.1Confident1 Ų145.2 Ų45.21%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-130.5154.9179.9-64.10000110.2L8 V9 I136 V194L8-V179 HydrophobicContact CB-CG2 4.36Å; L8-V179 HydrophobicContact CD2-CG1 4.38Å; V9-V179 PolarHBondContact O-N 2.73Å; I136-V179 HydrophobicContact CB-CG1 4.33Å; V179-V194 HydrophobicContact CB-CG1 3.79Å; V179-V194 HydrophobicContact CG1-CG1 3.84Å
180P93.6Very high86.6Confident18 Ų1840.8 Ų40.812%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-57.6149.2173.4-26.534.6000112.4T10 I136 R189 I191T10-P180 PolarHBondContact OG1-O 3.27Å; I136-P180 WeakPolarHBondContact O-CD 3.27Å; P180-R189 WeakPolarHBondContact O-CD 3.16Å; P180-R189 WeakPolarHBondContact O-CG 3.39Å; P180-R189 PolarHBondContact O-NE 3.35Å; P180-I191 HydrophobicContact CG-CD1 3.94Å
181S91.2Very high88.2Confident17 Ų1737.6 Ų37.612%0.11921%0.21CC..PPolyproline II helixtrans-63.6147.7169.265.70000111.3T10 G11 K183T10-S181 WeakPolarHBondContact OG1-CA 3.25Å; G11-S181 WeakPolarHBondContact O-CB 3.35Å; S181-K183 PolarHBondContact O-N 3.38Å
182P87.6Confident89.3Confident47 Ų4742.4 Ų42.431%0.30524%0.241SC..PPolyproline II helixtrans-57.1137.3168.127.9-34.6000109.5G187 R189P182-G187 VanDerWaalsContact CB-O 3.23Å; P182-G187 WeakPolarHBondContact CB-O 3.31Å; P182-R189 HydrophobicContact CB-CG 4.43Å
183K82Confident90Very high159 Ų15942.6 Ų42.669%0.69124%0.241SC*.  trans-120.2-16-178-69.8-174.4-179-178.80112.5S181 T188S181-K183 PolarHBondContact O-N 3.38Å; K183-T188 PolarHBondContact N-O 3.38Å
184R82.8Confident90.4Very high133 Ų13342.6 Ų42.650%0.50224%0.241SC..SBendtrans-100.7152.6-176-71.6170172.2173.62.5110.6D186 G187 T188R184-D186 WeakPolarHBondContact CB-OD1 3.38Å; R184-D186 PolarHBondContact O-N 2.86Å; R184-G187 PolarHBondContact O-N 3Å; R184-T188 WeakPolarHBondContact CB-O 3.34Å; R184-T188 WeakPolarHBondContact CD-OG1 3.28Å; R184-T188 PolarHBondContact N-O 3.14Å; R184-T188 VanDerWaalsContact N-O 3.09Å
185P81.8Confident90.5Very high145 Ų14543.9 Ų43.994%0.94225%0.248SC*.THydrogen-bonded Turntrans-59.3-26.5178.8-24.134.1000114G187P185-G187 PolarHBondContact O-N 2.86Å
186D84.4Confident90.4Very high108 Ų10849.6 Ų49.658%0.57827%0.269SS*.THydrogen-bonded Turntrans-76.32.4176.765.2-0.5000113.7R184 T188R184-D186 WeakPolarHBondContact CB-OD1 3.38Å; R184-D186 PolarHBondContact O-N 2.86Å; D186-T188 VanDerWaalsContact C-N 3.27Å; D186-T188 PolarHBondContact O-N 2.82Å; D186-T188 VanDerWaalsContact OD1-CB 3.3Å; D186-T188 WeakPolarHBondContact OD1-CB 3.19Å; D186-T188 WeakPolarHBondContact OD1-CG2 3.25Å; D186-T188 PolarHBondContact OD1-N 2.65Å; D186-T188 PolarHBondContact OD1-OG1 3.42Å; D186-T188 PolarHBondContact OD2-OG1 2.83Å; D186-T188 VanDerWaalsContact OD2-OG1 3.07Å
187G81.6Confident90.2Very high42 Ų4249.8 Ų49.843%0.43327%0.27SS..SBendtrans78.95.5-176.600000114.2P182 R184 P185P182-G187 VanDerWaalsContact CB-O 3.23Å; P182-G187 WeakPolarHBondContact CB-O 3.31Å; R184-G187 PolarHBondContact O-N 3Å; P185-G187 PolarHBondContact O-N 2.86Å
188T85Confident90Very high34 Ų3450.7 Ų50.721%0.20928%0.276CS..  trans-86.8156.6176.870.40000112.3K183 R184 D186K183-T188 PolarHBondContact N-O 3.38Å; R184-T188 WeakPolarHBondContact CB-O 3.34Å; R184-T188 WeakPolarHBondContact CD-OG1 3.28Å; R184-T188 PolarHBondContact N-O 3.14Å; R184-T188 VanDerWaalsContact N-O 3.09Å; D186-T188 VanDerWaalsContact C-N 3.27Å; D186-T188 PolarHBondContact O-N 2.82Å; D186-T188 VanDerWaalsContact OD1-CB 3.3Å; D186-T188 WeakPolarHBondContact OD1-CB 3.19Å; D186-T188 WeakPolarHBondContact OD1-CG2 3.25Å; D186-T188 PolarHBondContact OD1-N 2.65Å; D186-T188 PolarHBondContact OD1-OG1 3.42Å; D186-T188 PolarHBondContact OD2-OG1 2.83Å; D186-T188 VanDerWaalsContact OD2-OG1 3.07Å
189R88.6Confident89.7Confident27 Ų2755 Ų5510%0.10231%0.307CS..  trans-91.7-16.2178.4-66153.3178.777.30.5111.3P180 P182 I191 D195 C198P180-R189 WeakPolarHBondContact O-CD 3.16Å; P180-R189 WeakPolarHBondContact O-CG 3.39Å; P180-R189 PolarHBondContact O-NE 3.35Å; P182-R189 HydrophobicContact CB-CG 4.43Å; R189-I191 VanDerWaalsContact C-N 3.35Å; R189-D195 WeakPolarHBondContact CB-OD1 3.35Å; R189-D195 PolarHBondContact N-OD1 2.89Å; R189-C198 VanDerWaalsContact CZ-SG 3.56Å
190G88.5Confident89.4Confident16 Ų1657.4 Ų57.417%0.16532%0.318CS..SBendtrans74.529.7-177.200000113.2D195G190-D195 PolarHBondContact N-OD2 3.04Å; G190-D195 VanDerWaalsContact N-OD2 3.1Å
191I92.5Very high89.1Confident17 Ų1766 Ų669%0.08735%0.354CS..  trans-131.598.4173.6-52.3171.9000104.9K138 L141 P180 R189 F193 V194 D195K138-I191 HydrophobicContact CD-CD1 4.4Å; K138-I191 HydrophobicContact CD-CG1 4.42Å; K138-I191 HydrophobicContact CG-CD1 3.46Å; K138-I191 VanDerWaalsContact CG-CD1 3.46Å; K138-I191 HydrophobicContact CG-CG1 3.78Å; L141-I191 HydrophobicContact CD1-CG2 3.61Å; P180-I191 HydrophobicContact CG-CD1 3.94Å; R189-I191 VanDerWaalsContact C-N 3.35Å; I191-F193 PolarHBondContact O-N 2.86Å; I191-V194 HydrophobicContact CB-CB 4.07Å; I191-V194 HydrophobicContact CB-CG2 3.89Å; I191-V194 HydrophobicContact CD1-CG2 4.24Å; I191-V194 HydrophobicContact CG2-CB 4.27Å; I191-V194 HydrophobicContact CG2-CG2 3.65Å; I191-V194 PolarHBondContact O-N 3.01Å; I191-D195 PolarHBondContact N-OD2 2.64Å; I191-D195 VanDerWaalsContact N-OD2 3.12Å; I191-D195 PolarHBondContact O-N 2.74Å
192P93.1Very high88.9Confident109 Ų10969.4 Ų69.471%0.70837%0.368SS*.Hα-helixtrans-51.6-39-168.2-30.535.4000113.9R196P192-R196 WeakPolarHBondContact O-CB 3.45Å; P192-R196 PolarHBondContact O-N 2.9Å
193F94.6Very high89.2Confident20 Ų2067.8 Ų67.89%0.08836%0.359CS..Hα-helixtrans-61-49.4176.4-173.2-99.4000112.9I136 L141 T147 I150 E151 I191 R196 I197I136-F193 HydrophobicContact CG2-CD1 4.16Å; I136-F193 HydrophobicContact CG2-CE1 4.08Å; L141-F193 HydrophobicContact CD1-CB 3.98Å; L141-F193 HydrophobicContact CD1-CD1 3.79Å; L141-F193 HydrophobicContact CD1-CG 4.21Å; L141-F193 HydrophobicContact CD2-CD1 3.44Å; L141-F193 VanDerWaalsContact CD2-CD1 3.44Å; L141-F193 HydrophobicContact CD2-CE1 3.68Å; L141-F193 HydrophobicContact CD2-CG 4.05Å; L141-F193 HydrophobicContact CD2-CZ 4.49Å; L141-F193 HydrophobicContact CG-CD1 4.28Å; T147-F193 HydrophobicContact CG2-CD2 3.53Å; T147-F193 HydrophobicContact CG2-CE1 4.4Å; T147-F193 HydrophobicContact CG2-CE2 3.34Å; T147-F193 HydrophobicContact CG2-CG 4.17Å; T147-F193 HydrophobicContact CG2-CZ 3.83Å; I150-F193 HydrophobicContact CB-CE1 4.26Å; I150-F193 HydrophobicContact CB-CZ 3.96Å; I150-F193 HydrophobicContact CG2-CE1 3.81Å; I150-F193 HydrophobicContact CG2-CZ 3.74Å; E151-F193 HydrophobicContact CG-CE2 3.44Å; E151-F193 VanDerWaalsContact CG-CE2 3.44Å; E151-F193 HydrophobicContact CG-CZ 3.88Å; E151-F193 WeakPolarHBondContact OE1-CE2 3.43Å; I191-F193 PolarHBondContact O-N 2.86Å; F193-R196 WeakPolarHBondContact O-CB 3.4Å; F193-R196 PolarHBondContact O-N 2.81Å; F193-I197 HydrophobicContact CD1-CD1 3.67Å; F193-I197 HydrophobicContact CD1-CG1 4.46Å; F193-I197 HydrophobicContact CE1-CD1 3.2Å; F193-I197 HydrophobicContact CE1-CG1 4.23Å; F193-I197 HydrophobicContact CZ-CD1 3.75Å; F193-I197 WeakPolarHBondContact O-CG1 3.28Å; F193-I197 PolarHBondContact O-N 2.87Å
194V94.9Very high89.8Confident0 Ų061.5 Ų61.50%033%0.334CS..Hα-helixtrans-67.2-42.2-179.8-177.40000110.5I136 L141 V179 I191 R196 I197 C198I136-V194 HydrophobicContact CG2-CG2 4.21Å; I136-V194 WeakPolarHBondContact O-CG2 3.3Å; L141-V194 HydrophobicContact CD1-CG2 3.82Å; V179-V194 HydrophobicContact CB-CG1 3.79Å; V179-V194 HydrophobicContact CG1-CG1 3.84Å; I191-V194 HydrophobicContact CB-CB 4.07Å; I191-V194 HydrophobicContact CB-CG2 3.89Å; I191-V194 HydrophobicContact CD1-CG2 4.24Å; I191-V194 HydrophobicContact CG2-CB 4.27Å; I191-V194 HydrophobicContact CG2-CG2 3.65Å; I191-V194 PolarHBondContact O-N 3.01Å; V194-R196 VanDerWaalsContact C-N 3.26Å; V194-R196 PolarHBondContact O-N 3.14Å; V194-I197 PolarHBondContact O-N 3.17Å; V194-C198 WeakPolarHBondContact O-CB 3.39Å; V194-C198 PolarHBondContact O-N 3.16Å; V194-C198 PolarHBondContact O-SG 3.06Å
195D94.2Very high90.3Very high29 Ų2958.5 Ų58.516%0.15533%0.328CS..Hα-helixtrans-59.6-40.6177.1-68.4-40.6000110.7R189 G190 I191 C198 S199R189-D195 WeakPolarHBondContact CB-OD1 3.35Å; R189-D195 PolarHBondContact N-OD1 2.89Å; G190-D195 PolarHBondContact N-OD2 3.04Å; G190-D195 VanDerWaalsContact N-OD2 3.1Å; I191-D195 PolarHBondContact N-OD2 2.64Å; I191-D195 VanDerWaalsContact N-OD2 3.12Å; I191-D195 PolarHBondContact O-N 2.74Å; D195-C198 PolarHBondContact O-N 3.39Å; D195-S199 PolarHBondContact O-N 2.94Å; D195-S199 VanDerWaalsContact O-N 3.07Å
196R93.8Very high90.9Very high120 Ų12052.4 Ų52.445%0.45329%0.287SS..Hα-helixtrans-63.4-49.2174-173.4-179.164-151.62.9112.5E151 P192 F193 V194 C198 S199 M200E151-R196 IonicContact OE1-CZ 3.7Å; E151-R196 IonicContact OE1-NH1 2.67Å; E151-R196 IonicContact OE1-NH2 3.92Å; E151-R196 PolarHBondContact OE1-NH2 2.89Å; P192-R196 WeakPolarHBondContact O-CB 3.45Å; P192-R196 PolarHBondContact O-N 2.9Å; F193-R196 WeakPolarHBondContact O-CB 3.4Å; F193-R196 PolarHBondContact O-N 2.81Å; V194-R196 VanDerWaalsContact C-N 3.26Å; V194-R196 PolarHBondContact O-N 3.14Å; R196-C198 VanDerWaalsContact C-N 3.27Å; R196-C198 PolarHBondContact O-N 3.26Å; R196-S199 PolarHBondContact O-N 3.29Å; R196-S199 PolarHBondContact O-OG 3.42Å; R196-M200 WeakPolarHBondContact O-CG 3.31Å; R196-M200 PolarHBondContact O-N 3.27Å
197I93.4Very high91.4Very high4 Ų453.3 Ų53.32%0.02129%0.288CS..Hα-helixtrans-59.2-42.6177.6-62.4174000110.2L8 I150 I154 F193 V194 S199 M200 A203L8-I197 HydrophobicContact CD1-CG2 3.73Å; L8-I197 HydrophobicContact CD2-CG2 4.11Å; I150-I197 HydrophobicContact CG2-CD1 4.04Å; I154-I197 HydrophobicContact CD1-CD1 3.56Å; I154-I197 HydrophobicContact CD1-CG1 3.73Å; I154-I197 HydrophobicContact CD1-CG2 3.95Å; F193-I197 HydrophobicContact CD1-CD1 3.67Å; F193-I197 HydrophobicContact CD1-CG1 4.46Å; F193-I197 HydrophobicContact CE1-CD1 3.2Å; F193-I197 HydrophobicContact CE1-CG1 4.23Å; F193-I197 HydrophobicContact CZ-CD1 3.75Å; F193-I197 WeakPolarHBondContact O-CG1 3.28Å; F193-I197 PolarHBondContact O-N 2.87Å; V194-I197 PolarHBondContact O-N 3.17Å; I197-S199 PolarHBondContact O-N 3.16Å; I197-M200 WeakPolarHBondContact O-CB 3.11Å; I197-M200 PolarHBondContact O-N 3.29Å; I197-A203 WeakPolarHBondContact O-CB 3.34Å
198C92.5Very high92Very high18 Ų1851.5 Ų51.512%0.12227%0.268CS..Hα-helixtrans-64.1-23.5177.4-68.10000113.4R189 V194 D195 R196 I205R189-C198 VanDerWaalsContact CZ-SG 3.56Å; V194-C198 WeakPolarHBondContact O-CB 3.39Å; V194-C198 PolarHBondContact O-N 3.16Å; V194-C198 PolarHBondContact O-SG 3.06Å; D195-C198 PolarHBondContact O-N 3.39Å; R196-C198 VanDerWaalsContact C-N 3.27Å; R196-C198 PolarHBondContact O-N 3.26Å; C198-I205 HydrophobicContact CB-CD1 3.69Å; C198-I205 WeakPolarHBondContact O-CD1 3.36Å
199S91.1Very high92.4Very high91 Ų9153.3 Ų53.364%0.63628%0.277SS*.THydrogen-bonded Turntrans-87-7.2178.672.40000114.4D195 R196 I197D195-S199 PolarHBondContact O-N 2.94Å; D195-S199 VanDerWaalsContact O-N 3.07Å; R196-S199 PolarHBondContact O-N 3.29Å; R196-S199 PolarHBondContact O-OG 3.42Å; I197-S199 PolarHBondContact O-N 3.16Å
200M91Very high92.4Very high51 Ų5156.9 Ų56.925%0.25130%0.301SS..  trans-69.9138.2-179.5-63.9-175.570.800110.9I154 R196 I197 E202 A203I154-M200 HydrophobicContact CG2-CE 3.55Å; I154-M200 HydrophobicContact CG2-SD 3.65Å; R196-M200 WeakPolarHBondContact O-CG 3.31Å; R196-M200 PolarHBondContact O-N 3.27Å; I197-M200 WeakPolarHBondContact O-CB 3.11Å; I197-M200 PolarHBondContact O-N 3.29Å; M200-E202 PolarHBondContact O-N 2.92Å; M200-A203 HydrophobicContact CB-CB 4.13Å; M200-A203 PolarHBondContact O-N 2.95Å; M200-A203 VanDerWaalsContact O-N 3.16Å
201K87Confident92.5Very high199 Ų19961.2 Ų61.287%0.86533%0.329SS*.THydrogen-bonded Turntrans-67.5-26.3179.8-67.2-179.4179.6177.30112.2A203K201-A203 VanDerWaalsContact C-N 3.31Å
202E87.5Confident92.5Very high88 Ų8862.5 Ų62.541%0.41134%0.336SS..THydrogen-bonded Turntrans-78.3-18.1179-56.578.5-175.400111.8S4 I6 M200S4-E202 WeakPolarHBondContact CB-O 3.22Å; S4-E202 PolarHBondContact OG-O 3.04Å; I6-E202 HydrophobicContact CD1-CB 4.38Å; M200-E202 PolarHBondContact O-N 2.92Å
203A92.3Very high92.4Very high14 Ų1461.6 Ų61.612%0.11632%0.319CS..EExtended strand (participates in β ladder)trans-87.8127.318000000111.4I6 L8 I197 M200 K201I6-A203 HydrophobicContact CB-CB 4.42Å; I6-A203 HydrophobicContact CG2-CB 4Å; L8-A203 HydrophobicContact CD1-CB 3.88Å; L8-A203 HydrophobicContact CG-CB 4.39Å; I197-A203 WeakPolarHBondContact O-CB 3.34Å; M200-A203 HydrophobicContact CB-CB 4.13Å; M200-A203 PolarHBondContact O-N 2.95Å; M200-A203 VanDerWaalsContact O-N 3.16Å; K201-A203 VanDerWaalsContact C-N 3.31Å
204S94.6Very high92.2Very high26 Ų2665.8 Ų65.818%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-101.1116.7170.6-1730000109.5I6 L8 R223I6-S204 PolarHBondContact O-N 2.93Å; L8-S204 PolarHBondContact N-O 3.07Å; S204-R223 VanDerWaalsContact CB-NH2 3.27Å; S204-R223 PolarHBondContact OG-NH1 3.45Å; S204-R223 PolarHBondContact OG-NH2 2.85Å
205I93.9Very high92.1Very high71 Ų7172.9 Ų72.936%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-90.6132.3176.1-56.6173.5000109.3L8 T10 C198L8-I205 HydrophobicContact CB-CG1 4.28Å; L8-I205 HydrophobicContact CD1-CG1 4.2Å; L8-I205 CarbonylContact O-C 3.57Å; L8-I205 WeakPolarHBondContact O-CA 3.48Å; T10-I205 HydrophobicContact CG2-CG2 3.52Å; C198-I205 HydrophobicContact CB-CD1 3.69Å; C198-I205 WeakPolarHBondContact O-CD1 3.36Å
206I94.7Very high92.1Very high17 Ų1771.7 Ų71.79%0.08737%0.366CS..EExtended strand (participates in β ladder)trans-121.8111.8176.2-53.5170.4000107.4L8 V9 T10 I208 T216 V220L8-I206 PolarHBondContact O-N 2.99Å; V9-I206 WeakPolarHBondContact CA-O 3.19Å; T10-I206 PolarHBondContact N-O 2.98Å; I206-I208 HydrophobicContact CG2-CG2 4.47Å; I206-T216 HydrophobicContact CG2-CG2 3.58Å; I206-V220 HydrophobicContact CD1-CG2 3.63Å
207E94.5Very high92.1Very high126 Ų12666.7 Ų66.759%0.58935%0.349SS*.EExtended strand (participates in β ladder)trans-87.2128.1176.3-174.1166.1-168.200110.8T10 N212T10-E207 HydrophobicContact CG2-CB 3.91Å; T10-E207 HydrophobicContact CG2-CG 4.21Å; T10-E207 CarbonylContact O-C 3.51Å; T10-E207 WeakPolarHBondContact O-CA 3.23Å; E207-N212 PolarHBondContact O-ND2 3.37Å
208I94.3Very high92.1Very high4 Ų472.7 Ų72.72%0.02138%0.377CS..EExtended strand (participates in β ladder)trans-111.4143.4-179.969.7170.4000112.7V9 T10 I15 K17 L20 I206 N212 T216V9-I208 HydrophobicContact CG1-CD1 3.92Å; V9-I208 HydrophobicContact CG1-CG1 4.19Å; V9-I208 HydrophobicContact CG1-CG2 3.99Å; T10-I208 PolarHBondContact O-N 3.27Å; I15-I208 HydrophobicContact CG2-CD1 3.86Å; I15-I208 HydrophobicContact CG2-CG1 3.86Å; K17-I208 HydrophobicContact CB-CD1 4.42Å; K17-I208 HydrophobicContact CG-CD1 4.02Å; L20-I208 HydrophobicContact CD1-CD1 3.85Å; L20-I208 HydrophobicContact CD1-CG2 3.86Å; I206-I208 HydrophobicContact CG2-CG2 4.47Å; I208-N212 VanDerWaalsContact CA-OD1 3.22Å; I208-N212 WeakPolarHBondContact CA-OD1 3.18Å; I208-T216 HydrophobicContact CG2-CG2 3.78Å
209D93.4Very high92.1Very high73 Ų7376.2 Ų76.239%0.3939%0.392SS..  trans-137.1-173.8172.866.235.9000110.5S211 N212 R213D209-S211 PolarHBondContact O-N 3.17Å; D209-S211 WeakPolarHBondContact OD1-CA 3.34Å; D209-S211 VanDerWaalsContact OD1-CB 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.38Å; D209-S211 PolarHBondContact OD1-N 3.03Å; D209-S211 PolarHBondContact OD1-OG 3.06Å; D209-N212 PolarHBondContact N-OD1 2.86Å; D209-N212 PolarHBondContact O-OD1 3.24Å; D209-N212 PolarHBondContact OD1-N 2.61Å; D209-N212 PolarHBondContact OD1-OD1 2.86Å; D209-R213 VanDerWaalsContact O-CB 3.31Å; D209-R213 WeakPolarHBondContact O-CB 3.38Å; D209-R213 PolarHBondContact O-N 2.71Å
210V89.8Confident92.3Very high101 Ų10171.9 Ų71.961%0.61236%0.362SS*.THydrogen-bonded Turntrans-65.9-30-178.3-178.90000111.8I15I15-V210 HydrophobicContact CD1-CG2 3.57Å
211S90.2Very high92.4Very high107 Ų10770 Ų7075%0.74835%0.353SS*.THydrogen-bonded Turntrans-79.9-28.9-175.2760000113.2D209D209-S211 PolarHBondContact O-N 3.17Å; D209-S211 WeakPolarHBondContact OD1-CA 3.34Å; D209-S211 VanDerWaalsContact OD1-CB 3.31Å; D209-S211 WeakPolarHBondContact OD1-CB 3.38Å; D209-S211 PolarHBondContact OD1-N 3.03Å; D209-S211 PolarHBondContact OD1-OG 3.06Å
212N92.6Very high92.7Very high44 Ų4465.3 Ų65.324%0.23533%0.334CS..THydrogen-bonded Turntrans-112.7-19-171.773.95000115E207 I208 D209 D214 K215 T216E207-N212 PolarHBondContact O-ND2 3.37Å; I208-N212 VanDerWaalsContact CA-OD1 3.22Å; I208-N212 WeakPolarHBondContact CA-OD1 3.18Å; D209-N212 PolarHBondContact N-OD1 2.86Å; D209-N212 PolarHBondContact O-OD1 3.24Å; D209-N212 PolarHBondContact OD1-N 2.61Å; D209-N212 PolarHBondContact OD1-OD1 2.86Å; N212-D214 VanDerWaalsContact C-N 3.27Å; N212-D214 PolarHBondContact O-N 2.89Å; N212-K215 WeakPolarHBondContact O-CA 3.32Å; N212-K215 WeakPolarHBondContact O-CB 3.39Å; N212-K215 PolarHBondContact O-N 2.91Å; N212-T216 PolarHBondContact O-N 2.66Å; N212-T216 PolarHBondContact O-OG1 2.77Å
213R89.6Confident92.9Very high91 Ų9163.7 Ų63.734%0.34332%0.324SS..Hα-helixtrans-51.7-39.4-169.362.6-176-173.5-177.9-0114.9I15 D209 T216 V217I15-R213 PolarHBondContact O-NH1 2.81Å; I15-R213 VanDerWaalsContact O-NH1 3.16Å; D209-R213 VanDerWaalsContact O-CB 3.31Å; D209-R213 WeakPolarHBondContact O-CB 3.38Å; D209-R213 PolarHBondContact O-N 2.71Å; R213-T216 PolarHBondContact O-N 3.31Å; R213-V217 PolarHBondContact O-N 3.27Å
214D90.4Very high92.8Very high108 Ų10863 Ų6358%0.57832%0.318SS*.Hα-helixtrans-73.6-39.5-177.9-62.5-35.8000111.2N212 T216 V217N212-D214 VanDerWaalsContact C-N 3.27Å; N212-D214 PolarHBondContact O-N 2.89Å; D214-T216 VanDerWaalsContact C-N 3.31Å; D214-V217 WeakPolarHBondContact O-CB 3.23Å; D214-V217 PolarHBondContact O-N 2.8Å
215K93.2Very high92.5Very high148 Ų14863.7 Ų63.764%0.64332%0.32SS*.Hα-helixtrans-65-37.6172.1-176.4-178176-175.50111.1N212 V217 Q218 E219N212-K215 WeakPolarHBondContact O-CA 3.32Å; N212-K215 WeakPolarHBondContact O-CB 3.39Å; N212-K215 PolarHBondContact O-N 2.91Å; K215-V217 VanDerWaalsContact C-N 3.27Å; K215-V217 PolarHBondContact O-N 3.45Å; K215-Q218 PolarHBondContact O-N 3.03Å; K215-Q218 VanDerWaalsContact O-N 3.13Å; K215-E219 PolarHBondContact O-N 3.21Å
216T93.6Very high92.1Very high4 Ų468 Ų683%0.02533%0.332CS..Hα-helixtrans-63.1-32.7179.3-55.10000112.3L20 I206 I208 N212 R213 D214 Q218 E219 V220L20-T216 HydrophobicContact CD1-CG2 3.81Å; I206-T216 HydrophobicContact CG2-CG2 3.58Å; I208-T216 HydrophobicContact CG2-CG2 3.78Å; N212-T216 PolarHBondContact O-N 2.66Å; N212-T216 PolarHBondContact O-OG1 2.77Å; R213-T216 PolarHBondContact O-N 3.31Å; D214-T216 VanDerWaalsContact C-N 3.31Å; T216-Q218 VanDerWaalsContact C-N 3.32Å; T216-Q218 PolarHBondContact O-N 2.81Å; T216-E219 PolarHBondContact O-N 3.41Å; T216-V220 HydrophobicContact CG2-CG2 3.86Å; T216-V220 WeakPolarHBondContact O-CB 3.07Å; T216-V220 VanDerWaalsContact O-CG2 3.23Å; T216-V220 WeakPolarHBondContact O-CG2 3.46Å; T216-V220 PolarHBondContact O-N 3.28Å
217V94.1Very high91.4Very high15 Ų1567.8 Ų67.89%0.09133%0.331CS..Hα-helixtrans-56.4-49.1172.6174.20000110.6L20 H23 V24 R213 D214 K215 T221L20-V217 HydrophobicContact CB-CG2 4.36Å; L20-V217 HydrophobicContact CD1-CG2 4.47Å; L20-V217 HydrophobicContact CG-CG2 3.8Å; H23-V217 HydrophobicContact CB-CG1 3.85Å; H23-V217 HydrophobicContact CB-CG2 4.1Å; V24-V217 HydrophobicContact CG2-CG1 4.12Å; R213-V217 PolarHBondContact O-N 3.27Å; D214-V217 WeakPolarHBondContact O-CB 3.23Å; D214-V217 PolarHBondContact O-N 2.8Å; K215-V217 VanDerWaalsContact C-N 3.27Å; K215-V217 PolarHBondContact O-N 3.45Å; V217-T221 WeakPolarHBondContact O-CB 3.3Å; V217-T221 PolarHBondContact O-N 2.96Å; V217-T221 PolarHBondContact O-OG1 3.1Å
218Q93.6Very high90.3Very high130 Ų13066.3 Ų66.361%0.60732%0.323SS*.Hα-helixtrans-65.6-47.1-179.8-64.7177.7-13.200111K215 T216 V220 T221 E222K215-Q218 PolarHBondContact O-N 3.03Å; K215-Q218 VanDerWaalsContact O-N 3.13Å; T216-Q218 VanDerWaalsContact C-N 3.32Å; T216-Q218 PolarHBondContact O-N 2.81Å; Q218-V220 PolarHBondContact O-N 2.83Å; Q218-T221 PolarHBondContact O-N 2.86Å; Q218-E222 WeakPolarHBondContact O-CB 3.39Å; Q218-E222 WeakPolarHBondContact O-CG 3.46Å; Q218-E222 PolarHBondContact O-N 2.65Å
219E93.4Very high88.5Confident93 Ų9371.4 Ų71.444%0.43536%0.359SS..Hα-helixtrans-57.8-48.1179.1-175.7-172.9159.500112.3K215 T216 R223K215-E219 PolarHBondContact O-N 3.21Å; T216-E219 PolarHBondContact O-N 3.41Å; E219-R223 VanDerWaalsContact O-CB 3.32Å; E219-R223 WeakPolarHBondContact O-CB 3.31Å; E219-R223 PolarHBondContact O-N 2.85Å
220V94.3Very high86.3Confident0 Ų072.2 Ų72.20%037%0.37CS..Hα-helixtrans-63.8-45.2178.7170.40000110.4L7 V24 L176 I206 T216 Q218 R223 I224L7-V220 HydrophobicContact CD1-CG1 4.18Å; V24-V220 HydrophobicContact CG1-CG1 4.08Å; V24-V220 HydrophobicContact CG2-CB 4.23Å; V24-V220 HydrophobicContact CG2-CG1 3.99Å; L176-V220 HydrophobicContact CD1-CG1 3.85Å; L176-V220 HydrophobicContact CD2-CG1 3.92Å; I206-V220 HydrophobicContact CD1-CG2 3.63Å; T216-V220 HydrophobicContact CG2-CG2 3.86Å; T216-V220 WeakPolarHBondContact O-CB 3.07Å; T216-V220 VanDerWaalsContact O-CG2 3.23Å; T216-V220 WeakPolarHBondContact O-CG2 3.46Å; T216-V220 PolarHBondContact O-N 3.28Å; Q218-V220 PolarHBondContact O-N 2.83Å; V220-R223 PolarHBondContact O-N 2.83Å; V220-I224 HydrophobicContact CG1-CD1 3.78Å; V220-I224 HydrophobicContact CG1-CG1 4.49Å; V220-I224 VanDerWaalsContact O-CG1 3.26Å; V220-I224 WeakPolarHBondContact O-CG1 3.22Å; V220-I224 PolarHBondContact O-N 3.12Å
221T94Very high86.1Confident10 Ų1070.8 Ų70.86%0.06136%0.358CS..Hα-helixtrans-61-49.5179.4-57.10000111.1E27 V217 Q218 R223 I224 L225E27-T221 HydrophobicContact CB-CG2 3.83Å; V217-T221 WeakPolarHBondContact O-CB 3.3Å; V217-T221 PolarHBondContact O-N 2.96Å; V217-T221 PolarHBondContact O-OG1 3.1Å; Q218-T221 PolarHBondContact O-N 2.86Å; T221-R223 VanDerWaalsContact C-N 3.31Å; T221-R223 PolarHBondContact O-N 2.9Å; T221-I224 PolarHBondContact O-N 2.75Å; T221-L225 HydrophobicContact CG2-CD1 4Å; T221-L225 HydrophobicContact CG2-CG 4.39Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.04Å; T221-L225 PolarHBondContact O-N 3.12Å
222E92.5Very high85.9Confident101 Ų10168.8 Ų68.847%0.47234%0.338SS..Hα-helixtrans-59.3-42.4177.1-76.1-176.5-162.200112.1Q218 I224 L225 R226Q218-E222 WeakPolarHBondContact O-CB 3.39Å; Q218-E222 WeakPolarHBondContact O-CG 3.46Å; Q218-E222 PolarHBondContact O-N 2.65Å; E222-I224 VanDerWaalsContact C-N 3.31Å; E222-I224 PolarHBondContact O-N 3.16Å; E222-L225 PolarHBondContact O-N 2.75Å; E222-R226 WeakPolarHBondContact O-CG 3.47Å; E222-R226 PolarHBondContact O-N 3.37Å; E222-R226 IonicContact OE2-NH2 3.88Å; E222-R226 PolarHBondContact OE2-NH2 3.07Å; E222-R226 VanDerWaalsContact OE2-NH2 3.15Å
223R91.6Very high85.5Confident54 Ų5470.2 Ų70.220%0.20434%0.343CS..Hα-helixtrans-61-42.6178.6-173.4174.6-178169.80.3111.5S4 L7 S204 E219 V220 T221 R226S4-R223 VanDerWaalsContact CB-NH2 3.27Å; S4-R223 PolarHBondContact OG-NH2 2.82Å; L7-R223 VanDerWaalsContact CD2-CZ 3.43Å; S204-R223 VanDerWaalsContact CB-NH2 3.27Å; S204-R223 PolarHBondContact OG-NH1 3.45Å; S204-R223 PolarHBondContact OG-NH2 2.85Å; E219-R223 VanDerWaalsContact O-CB 3.32Å; E219-R223 WeakPolarHBondContact O-CB 3.31Å; E219-R223 PolarHBondContact O-N 2.85Å; V220-R223 PolarHBondContact O-N 2.83Å; T221-R223 VanDerWaalsContact C-N 3.31Å; T221-R223 PolarHBondContact O-N 2.9Å; R223-R226 PolarHBondContact O-N 3.4Å
224I91.1Very high85.3Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-65.5-44.3175.8-65.8167.5000110.5L7 V24 L28 L128 V130 V174 L176 V220 T221 E222 R226 C227L7-I224 HydrophobicContact CD1-CD1 4.33Å; L7-I224 HydrophobicContact CD1-CG1 3.9Å; V24-I224 HydrophobicContact CG1-CD1 3.98Å; L28-I224 HydrophobicContact CD1-CD1 4.18Å; L28-I224 HydrophobicContact CD1-CG2 4.48Å; L28-I224 HydrophobicContact CD2-CB 4.17Å; L28-I224 HydrophobicContact CD2-CG2 3.59Å; L128-I224 HydrophobicContact CD2-CG2 4.08Å; L128-I224 WeakPolarHBondContact CD2-O 3.42Å; V130-I224 HydrophobicContact CG1-CD1 4.31Å; V130-I224 HydrophobicContact CG2-CG2 3.51Å; V174-I224 HydrophobicContact CG1-CG1 4.04Å; L176-I224 HydrophobicContact CD2-CD1 4.31Å; V220-I224 HydrophobicContact CG1-CD1 3.78Å; V220-I224 HydrophobicContact CG1-CG1 4.49Å; V220-I224 VanDerWaalsContact O-CG1 3.26Å; V220-I224 WeakPolarHBondContact O-CG1 3.22Å; V220-I224 PolarHBondContact O-N 3.12Å; T221-I224 PolarHBondContact O-N 2.75Å; E222-I224 VanDerWaalsContact C-N 3.31Å; E222-I224 PolarHBondContact O-N 3.16Å; I224-R226 VanDerWaalsContact C-N 3.3Å; I224-R226 PolarHBondContact O-N 3.17Å; I224-C227 VanDerWaalsContact O-CB 3.3Å; I224-C227 WeakPolarHBondContact O-CB 3.33Å; I224-C227 PolarHBondContact O-N 3.4Å; I224-C227 VanDerWaalsContact O-N 3.07Å
225L88.3Confident85Confident41 Ų4166.6 Ų66.622%0.21533%0.329CS..Hα-helixtrans-65-31.5-179.8-69.2175.9000112.9L28 N31 I33 T221 E222 C227 K228L28-L225 HydrophobicContact CD2-CD2 4.43Å; N31-L225 HydrophobicContact CB-CD1 4.5Å; N31-L225 HydrophobicContact CB-CD2 3.85Å; I33-L225 HydrophobicContact CD1-CD2 3.91Å; I33-L225 HydrophobicContact CG1-CD2 3.62Å; T221-L225 HydrophobicContact CG2-CD1 4Å; T221-L225 HydrophobicContact CG2-CG 4.39Å; T221-L225 VanDerWaalsContact O-CG 3.31Å; T221-L225 WeakPolarHBondContact O-CG 3.04Å; T221-L225 PolarHBondContact O-N 3.12Å; E222-L225 PolarHBondContact O-N 2.75Å; L225-C227 PolarHBondContact O-N 3.38Å; L225-K228 WeakPolarHBondContact O-CB 3.49Å; L225-K228 PolarHBondContact O-N 3.09Å
226R85.6Confident84.4Confident162 Ų16261.1 Ų61.161%0.61131%0.308SS*.Hα-helixtrans-63-27.4173.5-72.3174.6-160.7-179.89112.8E222 R223 I224 K228 S229 S230E222-R226 WeakPolarHBondContact O-CG 3.47Å; E222-R226 PolarHBondContact O-N 3.37Å; E222-R226 IonicContact OE2-NH2 3.88Å; E222-R226 PolarHBondContact OE2-NH2 3.07Å; E222-R226 VanDerWaalsContact OE2-NH2 3.15Å; R223-R226 PolarHBondContact O-N 3.4Å; I224-R226 VanDerWaalsContact C-N 3.3Å; I224-R226 PolarHBondContact O-N 3.17Å; R226-K228 PolarHBondContact O-N 3.04Å; R226-S229 PolarHBondContact O-N 3.3Å; R226-S230 PolarHBondContact O-OG 2.6Å
227C80.1Confident83.8Confident11 Ų1165.2 Ų65.27%0.07433%0.328CS..THydrogen-bonded Turntrans-69.7-17.1174.1-59.90000112.9L128 T172 V174 I224 L225L128-C227 HydrophobicContact CD1-CB 4.07Å; T172-C227 HydrophobicContact CG2-CB 4.18Å; V174-C227 HydrophobicContact CG2-CB 4.15Å; I224-C227 VanDerWaalsContact O-CB 3.3Å; I224-C227 WeakPolarHBondContact O-CB 3.33Å; I224-C227 PolarHBondContact O-N 3.4Å; I224-C227 VanDerWaalsContact O-N 3.07Å; L225-C227 PolarHBondContact O-N 3.38Å
228K70.4Confident83Confident95 Ų9569.1 Ų69.141%0.41335%0.346SS..THydrogen-bonded Turntrans-73.8-38.2173.3-174.3-174.7-179.2174.10112.1I33 N126 L128 L225 R226 S230I33-K228 HydrophobicContact CD1-CD 3.85Å; N126-K228 VanDerWaalsContact OD1-CE 3.24Å; N126-K228 WeakPolarHBondContact OD1-CE 3Å; N126-K228 PolarHBondContact OD1-NZ 3.19Å; L128-K228 HydrophobicContact CD2-CB 4.06Å; L225-K228 WeakPolarHBondContact O-CB 3.49Å; L225-K228 PolarHBondContact O-N 3.09Å; R226-K228 PolarHBondContact O-N 3.04Å; K228-S230 VanDerWaalsContact C-N 3.3Å; K228-S230 PolarHBondContact O-N 3.01Å
229S56.1Low82.1Confident112 Ų11264 Ų6478%0.78332%0.324SS*.  trans-82.1-6.6-173-52.30000114R226R226-S229 PolarHBondContact O-N 3.3Å
230S47.9Very low81.1Confident89 Ų8961.4 Ų61.462%0.62231%0.314SS*.  trans-104.50-178.3-54.50000110.3R166 R226 K228R166-S230 PolarHBondContact NH1-OXT 3.37Å; R166-S230 VanDerWaalsContact NH2-CB 3.27Å; R166-S230 PolarHBondContact NH2-O 3.12Å; R166-S230 PolarHBondContact NH2-OXT 2.83Å; R226-S230 PolarHBondContact O-OG 2.6Å; K228-S230 VanDerWaalsContact C-N 3.3Å; K228-S230 PolarHBondContact O-N 3.01Å

Retrieved 230 of 230 residues in 135.1 ms (Link to these results)

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