A0A087XFF8_POEFO Loading...

F-box/WD repeat-containing protein 2

Substrate-recognition component of the SCF (SKP1-CUL1-F-box protein)-type E3 ubiquitin ligase complex.

AlphaFold DB , UniProt , Accession A0A087XFF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M55.5Low66Low152 Ų15290.5 Ų90.575%0.74947%0.472SS*.  0134.80-111.1171.6160.200107.4A5 F6 W9M1-A5 HydrophobicContact CE-CB 4.32Å; M1-A5 WeakPolarHBondContact CE-O 3.45Å; M1-A5 HydrophobicContact CG-CB 4.14Å; M1-F6 HydrophobicContact CB-CB 4.26Å; M1-F6 HydrophobicContact SD-CB 4.34Å; M1-F6 HydrophobicContact SD-CD2 4.26Å; M1-W9 HydrophobicContact CE-CB 3.77Å; M1-W9 HydrophobicContact CE-CG 4.1Å; M1-W9 HydrophobicContact SD-CB 4.45Å
2D63.7Low66.3Low100 Ų10089.2 Ų89.254%0.53548%0.476SS..  trans-65.4161.916371.347.8000109.8T4 A5 F6D2-T4 VanDerWaalsContact C-N 3.31Å; D2-T4 PolarHBondContact O-N 3.35Å; D2-T4 PolarHBondContact OD1-N 2.75Å; D2-T4 VanDerWaalsContact OD1-N 3.12Å; D2-T4 PolarHBondContact OD1-OG1 2.67Å; D2-A5 PolarHBondContact O-N 3.17Å; D2-A5 VanDerWaalsContact OD1-CB 3.29Å; D2-A5 WeakPolarHBondContact OD1-CB 3.05Å; D2-A5 PolarHBondContact OD1-N 3.06Å; D2-F6 PolarHBondContact O-N 3.37Å
3K60Low66.5Low156 Ų15684.7 Ų84.768%0.67845%0.454SS*.Hα-helixtrans-61.5-38.9-172.7-174.2177.8172.2-174.60112.5F6 E7K3-F6 PolarHBondContact O-N 3.12Å; K3-E7 WeakPolarHBondContact CE-OE1 3.29Å; K3-E7 WeakPolarHBondContact O-CG 3.38Å; K3-E7 PolarHBondContact O-N 2.99Å
4T67.6Low66.4Low104 Ų10480.4 Ų80.464%0.63843%0.434SS*.Hα-helixtrans-68.9-39.1-179.3370000112.8D2 F6 G8D2-T4 VanDerWaalsContact C-N 3.31Å; D2-T4 PolarHBondContact O-N 3.35Å; D2-T4 PolarHBondContact OD1-N 2.75Å; D2-T4 VanDerWaalsContact OD1-N 3.12Å; D2-T4 PolarHBondContact OD1-OG1 2.67Å; T4-F6 VanDerWaalsContact C-N 3.35Å; T4-G8 PolarHBondContact O-N 3.37Å
5A66.6Low66.5Low42 Ų4279.6 Ų79.635%0.34744%0.442SS..Hα-helixtrans-70-33.5174.900000111.8M1 D2 W9M1-A5 HydrophobicContact CE-CB 4.32Å; M1-A5 WeakPolarHBondContact CE-O 3.45Å; M1-A5 HydrophobicContact CG-CB 4.14Å; D2-A5 PolarHBondContact O-N 3.17Å; D2-A5 VanDerWaalsContact OD1-CB 3.29Å; D2-A5 WeakPolarHBondContact OD1-CB 3.05Å; D2-A5 PolarHBondContact OD1-N 3.06Å; A5-W9 WeakPolarHBondContact O-CB 3.35Å; A5-W9 PolarHBondContact O-N 3.13Å; A5-W9 VanDerWaalsContact O-N 3.13Å
6F66.1Low66.6Low30 Ų3079.4 Ų79.413%0.13244%0.444CS..Hα-helixtrans-69-41.9174.6-176.1-98.3000112.2M1 D2 K3 T4 W9 L10 H43 L44M1-F6 HydrophobicContact CB-CB 4.26Å; M1-F6 HydrophobicContact SD-CB 4.34Å; M1-F6 HydrophobicContact SD-CD2 4.26Å; D2-F6 PolarHBondContact O-N 3.37Å; K3-F6 PolarHBondContact O-N 3.12Å; T4-F6 VanDerWaalsContact C-N 3.35Å; F6-W9 HydrophobicContact CD2-CE3 4.12Å; F6-W9 HydrophobicContact CD2-CZ3 4.36Å; F6-W9 AromaticContact CE2-CE3 3.96Å; F6-W9 HydrophobicContact CE2-CE3 3.96Å; F6-W9 AromaticContact CE2-CZ3 3.75Å; F6-W9 HydrophobicContact CE2-CZ3 3.75Å; F6-W9 HydrophobicContact CZ-CZ3 4.19Å; F6-W9 PolarHBondContact O-N 3.05Å; F6-L10 HydrophobicContact CE1-CD2 4.45Å; F6-L10 WeakPolarHBondContact O-CB 3.32Å; F6-L10 PolarHBondContact O-N 3.21Å; F6-H43 HydrophobicContact CE1-CB 3.78Å; F6-H43 HydrophobicContact CZ-CB 3.82Å; F6-L44 HydrophobicContact CZ-CG 4.3Å
7E66.9Low66.6Low98 Ų9875.1 Ų75.146%0.45842%0.419SS..Hα-helixtrans-64.1-44.3178-75.2169.7178.600111.7K3 W9 L10 E11K3-E7 WeakPolarHBondContact CE-OE1 3.29Å; K3-E7 WeakPolarHBondContact O-CG 3.38Å; K3-E7 PolarHBondContact O-N 2.99Å; E7-W9 PolarHBondContact O-N 3.45Å; E7-L10 PolarHBondContact O-N 2.86Å; E7-E11 PolarHBondContact O-N 3.36Å
8G71Confident66.6Low43 Ų4377.1 Ų77.144%0.44343%0.428SS..Hα-helixtrans-65-35.9175.100000113.7T4 S12T4-G8 PolarHBondContact O-N 3.37Å; G8-S12 PolarHBondContact O-N 3.33Å
9W74.2Confident67Low83 Ų8378.1 Ų78.131%0.31444%0.441SS..Hα-helixtrans-66.7-41.2172172.686.3000111.9M1 A5 F6 E7 E11 S12 V13 L32 L44M1-W9 HydrophobicContact CE-CB 3.77Å; M1-W9 HydrophobicContact CE-CG 4.1Å; M1-W9 HydrophobicContact SD-CB 4.45Å; A5-W9 WeakPolarHBondContact O-CB 3.35Å; A5-W9 PolarHBondContact O-N 3.13Å; A5-W9 VanDerWaalsContact O-N 3.13Å; F6-W9 HydrophobicContact CD2-CE3 4.12Å; F6-W9 HydrophobicContact CD2-CZ3 4.36Å; F6-W9 AromaticContact CE2-CE3 3.96Å; F6-W9 HydrophobicContact CE2-CE3 3.96Å; F6-W9 AromaticContact CE2-CZ3 3.75Å; F6-W9 HydrophobicContact CE2-CZ3 3.75Å; F6-W9 HydrophobicContact CZ-CZ3 4.19Å; F6-W9 PolarHBondContact O-N 3.05Å; E7-W9 PolarHBondContact O-N 3.45Å; W9-E11 PolarHBondContact O-N 3.31Å; W9-S12 PolarHBondContact O-N 3.02Å; W9-V13 HydrophobicContact CD2-CG2 3.98Å; W9-V13 HydrophobicContact CG-CG2 4.39Å; W9-V13 HydrophobicContact CH2-CG2 4.38Å; W9-V13 HydrophobicContact CZ2-CG2 3.8Å; W9-V13 WeakPolarHBondContact O-CG2 3.35Å; W9-V13 PolarHBondContact O-N 3.08Å; W9-L32 HydrophobicContact CH2-CD2 3.41Å; W9-L32 VanDerWaalsContact CH2-CD2 3.41Å; W9-L32 HydrophobicContact CZ2-CD2 3.56Å; W9-L44 HydrophobicContact CH2-CD2 4.28Å; W9-L44 HydrophobicContact CZ3-CD2 4.23Å
10L64.5Low67.4Low33 Ų3376.5 Ų76.517%0.17343%0.431CS..Hα-helixtrans-64.2-39.9-179.7-174.367.6000112F6 E7 S14F6-L10 HydrophobicContact CE1-CD2 4.45Å; F6-L10 WeakPolarHBondContact O-CB 3.32Å; F6-L10 PolarHBondContact O-N 3.21Å; E7-L10 PolarHBondContact O-N 2.86Å; L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.25Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 3.24Å
11E69.9Low67.7Low154 Ų15475.6 Ų75.672%0.7243%0.43SS*.Hα-helixtrans-63.8-43.5174.8-74.6-166.4162.900112.1E7 W9 S14 A15E7-E11 PolarHBondContact O-N 3.36Å; W9-E11 PolarHBondContact O-N 3.31Å; E11-S14 PolarHBondContact O-N 3.2Å; E11-A15 PolarHBondContact O-N 3.3Å
12S69.8Low68.1Low75 Ų7573 Ų7352%0.52442%0.419SS..Hα-helixtrans-65-43.3178.3-179.50000112.2G8 W9 T16G8-S12 PolarHBondContact O-N 3.33Å; W9-S12 PolarHBondContact O-N 3.02Å; S12-T16 PolarHBondContact O-N 2.89Å; S12-T16 VanDerWaalsContact O-N 3.17Å; S12-T16 PolarHBondContact O-OG1 3.41Å
13V68.3Low68.2Low31 Ų3175 Ų7519%0.18843%0.426CS..Hα-helixtrans-65-41.4175.31710000110.4W9 A15 T16 F17 L32W9-V13 HydrophobicContact CD2-CG2 3.98Å; W9-V13 HydrophobicContact CG-CG2 4.39Å; W9-V13 HydrophobicContact CH2-CG2 4.38Å; W9-V13 HydrophobicContact CZ2-CG2 3.8Å; W9-V13 WeakPolarHBondContact O-CG2 3.35Å; W9-V13 PolarHBondContact O-N 3.08Å; V13-A15 PolarHBondContact O-N 3.2Å; V13-T16 PolarHBondContact O-N 3.5Å; V13-F17 WeakPolarHBondContact O-CB 3.44Å; V13-F17 PolarHBondContact O-N 3.44Å; V13-L32 HydrophobicContact CG1-CD1 4.38Å
14S65.6Low68.6Low25 Ų2572.2 Ų72.218%0.17542%0.415CS..Hα-helixtrans-63.7-43.4-179.5-61.70000112.8L10 E11 T16 F17 L18L10-S14 VanDerWaalsContact O-CB 3.25Å; L10-S14 WeakPolarHBondContact O-CB 3.25Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 3.24Å; E11-S14 PolarHBondContact O-N 3.2Å; S14-T16 VanDerWaalsContact C-N 3.32Å; S14-T16 PolarHBondContact O-N 3.12Å; S14-F17 PolarHBondContact O-N 3.23Å; S14-L18 WeakPolarHBondContact O-CG 3.17Å; S14-L18 PolarHBondContact O-N 3.27Å; S14-L18 VanDerWaalsContact O-N 3.13Å
15A67.9Low68.5Low68 Ų6870.2 Ų70.256%0.56240%0.396SS*.Hα-helixtrans-61.9-41.7175.100000111.7E11 V13E11-A15 PolarHBondContact O-N 3.3Å; V13-A15 PolarHBondContact O-N 3.2Å
16T68.6Low68.2Low77 Ų7773 Ų7347%0.47241%0.405SS..Hα-helixtrans-69.1-44.1179.3-48.60000111S12 V13 S14 L18 S19S12-T16 PolarHBondContact O-N 2.89Å; S12-T16 VanDerWaalsContact O-N 3.17Å; S12-T16 PolarHBondContact O-OG1 3.41Å; V13-T16 PolarHBondContact O-N 3.5Å; S14-T16 VanDerWaalsContact C-N 3.32Å; S14-T16 PolarHBondContact O-N 3.12Å; T16-L18 VanDerWaalsContact C-N 3.33Å; T16-L18 PolarHBondContact O-N 3.29Å; T16-S19 PolarHBondContact O-N 2.87Å; T16-S19 PolarHBondContact O-OG 3.5Å
17F66.6Low68.2Low5 Ų576.7 Ų76.72%0.02242%0.422CS..Hα-helixtrans-62.5-37-178.5-165.4-90.4000113.1V13 S14 S19 L20 R25 C28 L29 L51V13-F17 WeakPolarHBondContact O-CB 3.44Å; V13-F17 PolarHBondContact O-N 3.44Å; S14-F17 PolarHBondContact O-N 3.23Å; F17-S19 PolarHBondContact O-N 3.28Å; F17-L20 HydrophobicContact CD2-CD1 4.5Å; F17-L20 PolarHBondContact O-N 3.02Å; F17-R25 HydrophobicContact CD1-CG 4.06Å; F17-R25 HydrophobicContact CD2-CG 4.44Å; F17-R25 HydrophobicContact CE1-CB 3.94Å; F17-R25 HydrophobicContact CE1-CG 3.73Å; F17-R25 HydrophobicContact CE2-CB 3.9Å; F17-R25 HydrophobicContact CE2-CG 4.11Å; F17-R25 WeakPolarHBondContact CE2-O 3.45Å; F17-R25 HydrophobicContact CG-CG 4.42Å; F17-R25 HydrophobicContact CZ-CB 3.5Å; F17-R25 VanDerWaalsContact CZ-CB 3.5Å; F17-R25 HydrophobicContact CZ-CG 3.77Å; F17-R25 PolarHBondContact O-NE 2.91Å; F17-C28 HydrophobicContact CE2-CB 4.33Å; F17-L29 HydrophobicContact CE2-CD1 4.33Å; F17-L29 HydrophobicContact CE2-CD2 3.99Å; F17-L29 HydrophobicContact CE2-CG 3.73Å; F17-L29 HydrophobicContact CZ-CD1 3.77Å; F17-L29 HydrophobicContact CZ-CD2 4.02Å; F17-L29 HydrophobicContact CZ-CG 3.68Å; F17-L51 HydrophobicContact CB-CD1 4.21Å; F17-L51 HydrophobicContact CB-CD2 4.29Å; F17-L51 HydrophobicContact CD1-CB 3.9Å; F17-L51 HydrophobicContact CD1-CD1 3.87Å; F17-L51 HydrophobicContact CD1-CD2 3.43Å; F17-L51 VanDerWaalsContact CD1-CD2 3.43Å; F17-L51 HydrophobicContact CD1-CG 3.9Å; F17-L51 HydrophobicContact CE1-CB 3.8Å; F17-L51 HydrophobicContact CE1-CD1 4.47Å; F17-L51 HydrophobicContact CE1-CD2 4.17Å; F17-L51 HydrophobicContact CE1-CG 4.33Å; F17-L51 HydrophobicContact CG-CD1 4.1Å; F17-L51 HydrophobicContact CG-CD2 4.22Å
18L65.9Low68.2Low111 Ų11173.7 Ų73.758%0.58141%0.412SS*.Hα-helixtrans-65.6-25.3175.2-72.9168.4000112.8S14 T16 R25 L51S14-L18 WeakPolarHBondContact O-CG 3.17Å; S14-L18 PolarHBondContact O-N 3.27Å; S14-L18 VanDerWaalsContact O-N 3.13Å; T16-L18 VanDerWaalsContact C-N 3.33Å; T16-L18 PolarHBondContact O-N 3.29Å; L18-R25 PolarHBondContact O-NH2 3.48Å; L18-L51 HydrophobicContact CD2-CD2 3.78Å; L18-L51 HydrophobicContact CG-CD2 3.83Å
19S73.4Confident68Low96 Ų9672.8 Ų72.867%0.67140%0.397SS*.Hα-helixtrans-84.1-10.7177.874.50000114.7T16 F17T16-S19 PolarHBondContact O-N 2.87Å; T16-S19 PolarHBondContact O-OG 3.5Å; F17-S19 PolarHBondContact O-N 3.28Å
20L75.3Confident67.4Low46 Ų4674.1 Ų74.124%0.24141%0.41CS..SBendtrans-82.4153.7-177.2-63.3176.6000112.9F17 Q24 R25 C28F17-L20 HydrophobicContact CD2-CD1 4.5Å; F17-L20 PolarHBondContact O-N 3.02Å; L20-Q24 HydrophobicContact CB-CB 4.1Å; L20-Q24 HydrophobicContact CD2-CB 4.35Å; L20-R25 HydrophobicContact CB-CG 3.74Å; L20-R25 PolarHBondContact O-NE 3.17Å; L20-R25 PolarHBondContact O-NH2 3.46Å; L20-C28 HydrophobicContact CD1-CB 4.37Å
21S74.6Confident67.5Low59 Ų5978.6 Ų78.641%0.41343%0.43SS..  trans-69.8158.8166.665.80000111.9Q23 Q24 R25S21-Q23 VanDerWaalsContact C-N 3.27Å; S21-Q23 PolarHBondContact O-N 3.42Å; S21-Q24 VanDerWaalsContact N-OE1 3.15Å; S21-Q24 PolarHBondContact O-N 2.68Å; S21-Q24 VanDerWaalsContact OG-CG 3.31Å; S21-Q24 WeakPolarHBondContact OG-CG 3.34Å; S21-Q24 PolarHBondContact OG-OE1 2.77Å; S21-R25 WeakPolarHBondContact O-CG 3.42Å; S21-R25 PolarHBondContact O-N 3.24Å
22D63.1Low67.3Low97 Ų9772.5 Ų72.552%0.51940%0.402SS..Hα-helixtrans-57.9-36.2-176.7-73.5-12.5000113.5R25 N26D22-R25 IonicContact OD1-CZ 2.87Å; D22-R25 IonicContact OD1-NH1 3.97Å; D22-R25 PolarHBondContact OD1-NH1 2.75Å; D22-N26 PolarHBondContact O-N 3.13Å; D22-N26 PolarHBondContact O-ND2 3.44Å
23Q66.3Low67.1Low143 Ų14373.5 Ų73.567%0.66840%0.401SS*.Hα-helixtrans-69.5-38177.3-168.51750.900112.2S21 Q27S21-Q23 VanDerWaalsContact C-N 3.27Å; S21-Q23 PolarHBondContact O-N 3.42Å; Q23-Q27 WeakPolarHBondContact O-CG 3.28Å; Q23-Q27 PolarHBondContact O-N 3.19Å
24Q69.1Low67.1Low97 Ų9776.5 Ų76.545%0.45342%0.423SS..Hα-helixtrans-72.7-34.9177.4-70.6167.4-35.500112L20 S21 Q27 C28L20-Q24 HydrophobicContact CB-CB 4.1Å; L20-Q24 HydrophobicContact CD2-CB 4.35Å; S21-Q24 VanDerWaalsContact N-OE1 3.15Å; S21-Q24 PolarHBondContact O-N 2.68Å; S21-Q24 VanDerWaalsContact OG-CG 3.31Å; S21-Q24 WeakPolarHBondContact OG-CG 3.34Å; S21-Q24 PolarHBondContact OG-OE1 2.77Å; Q24-Q27 PolarHBondContact O-N 2.89Å; Q24-C28 VanDerWaalsContact O-CB 3.27Å; Q24-C28 WeakPolarHBondContact O-CB 3.4Å; Q24-C28 PolarHBondContact O-N 3.24Å
25R64.3Low67Low62 Ų6282.6 Ų82.623%0.23445%0.453CS..Hα-helixtrans-59.2-46.3173.2-75179.3-176.1149.9-1.4111.4F17 L18 L20 S21 D22 C28 L29F17-R25 HydrophobicContact CD1-CG 4.06Å; F17-R25 HydrophobicContact CD2-CG 4.44Å; F17-R25 HydrophobicContact CE1-CB 3.94Å; F17-R25 HydrophobicContact CE1-CG 3.73Å; F17-R25 HydrophobicContact CE2-CB 3.9Å; F17-R25 HydrophobicContact CE2-CG 4.11Å; F17-R25 WeakPolarHBondContact CE2-O 3.45Å; F17-R25 HydrophobicContact CG-CG 4.42Å; F17-R25 HydrophobicContact CZ-CB 3.5Å; F17-R25 VanDerWaalsContact CZ-CB 3.5Å; F17-R25 HydrophobicContact CZ-CG 3.77Å; F17-R25 PolarHBondContact O-NE 2.91Å; L18-R25 PolarHBondContact O-NH2 3.48Å; L20-R25 HydrophobicContact CB-CG 3.74Å; L20-R25 PolarHBondContact O-NE 3.17Å; L20-R25 PolarHBondContact O-NH2 3.46Å; S21-R25 WeakPolarHBondContact O-CG 3.42Å; S21-R25 PolarHBondContact O-N 3.24Å; D22-R25 IonicContact OD1-CZ 2.87Å; D22-R25 IonicContact OD1-NH1 3.97Å; D22-R25 PolarHBondContact OD1-NH1 2.75Å; R25-C28 PolarHBondContact O-N 3.5Å; R25-L29 WeakPolarHBondContact O-CG 3.22Å; R25-L29 PolarHBondContact O-N 2.92Å
26N59.9Low67.1Low100 Ų10080.8 Ų80.854%0.53544%0.436SS..Hα-helixtrans-63.6-47179-70.1-18.7000111.9D22 C28 L29 D30D22-N26 PolarHBondContact O-N 3.13Å; D22-N26 PolarHBondContact O-ND2 3.44Å; N26-C28 VanDerWaalsContact C-N 3.27Å; N26-C28 PolarHBondContact O-N 2.97Å; N26-L29 PolarHBondContact O-N 2.69Å; N26-D30 PolarHBondContact O-N 3.22Å
27Q67.3Low67.1Low107 Ų10778.7 Ų78.750%0.543%0.43SS..Hα-helixtrans-60.9-36.8176.3-72.2177.1-12.600112.7Q23 Q24 Q31Q23-Q27 WeakPolarHBondContact O-CG 3.28Å; Q23-Q27 PolarHBondContact O-N 3.19Å; Q24-Q27 PolarHBondContact O-N 2.89Å; Q27-Q31 WeakPolarHBondContact O-CG 3.47Å; Q27-Q31 PolarHBondContact O-N 3.09Å; Q27-Q31 VanDerWaalsContact O-N 3.09Å
28C66.8Low66.8Low36 Ų3682.7 Ų82.724%0.24346%0.464CS..Hα-helixtrans-68-40.6177-1710000111.9F17 L20 Q24 R25 N26 Q31 L32F17-C28 HydrophobicContact CE2-CB 4.33Å; L20-C28 HydrophobicContact CD1-CB 4.37Å; Q24-C28 VanDerWaalsContact O-CB 3.27Å; Q24-C28 WeakPolarHBondContact O-CB 3.4Å; Q24-C28 PolarHBondContact O-N 3.24Å; R25-C28 PolarHBondContact O-N 3.5Å; N26-C28 VanDerWaalsContact C-N 3.27Å; N26-C28 PolarHBondContact O-N 2.97Å; C28-Q31 PolarHBondContact O-N 3.19Å; C28-L32 VanDerWaalsContact O-CB 3.32Å; C28-L32 WeakPolarHBondContact O-CB 3.31Å; C28-L32 PolarHBondContact O-N 3.34Å
29L65.9Low66.6Low24 Ų2480.5 Ų80.513%0.12646%0.462CS..Hα-helixtrans-63.5-43.8174-73.1172.7000111.9F17 R25 N26 Q31 L32 I33 L48F17-L29 HydrophobicContact CE2-CD1 4.33Å; F17-L29 HydrophobicContact CE2-CD2 3.99Å; F17-L29 HydrophobicContact CE2-CG 3.73Å; F17-L29 HydrophobicContact CZ-CD1 3.77Å; F17-L29 HydrophobicContact CZ-CD2 4.02Å; F17-L29 HydrophobicContact CZ-CG 3.68Å; R25-L29 WeakPolarHBondContact O-CG 3.22Å; R25-L29 PolarHBondContact O-N 2.92Å; N26-L29 PolarHBondContact O-N 2.69Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.83Å; L29-L32 WeakPolarHBondContact O-CB 3.4Å; L29-L32 PolarHBondContact O-N 3.02Å; L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.27Å; L29-I33 PolarHBondContact O-N 3.04Å; L29-L48 HydrophobicContact CD2-CD1 4.24Å; L29-L48 HydrophobicContact CD2-CD2 4.07Å
30D63.1Low66.1Low110 Ų11080.1 Ų80.159%0.58845%0.45SS*.Hα-helixtrans-61.5-43.5178.7-71.7-26.7000111.4N26 I33 S34N26-D30 PolarHBondContact O-N 3.22Å; D30-I33 PolarHBondContact O-N 3.37Å; D30-S34 WeakPolarHBondContact O-CB 3.48Å; D30-S34 PolarHBondContact O-N 3.22Å; D30-S34 PolarHBondContact O-OG 2.93Å
31Q64.9Low65.5Low128 Ų12881 Ų8160%0.59845%0.454SS*.Hα-helixtrans-63.8-44.5175-74.2-179-1000111.8Q27 C28 L29 I33 S34 L35Q27-Q31 WeakPolarHBondContact O-CG 3.47Å; Q27-Q31 PolarHBondContact O-N 3.09Å; Q27-Q31 VanDerWaalsContact O-N 3.09Å; C28-Q31 PolarHBondContact O-N 3.19Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 2.83Å; Q31-I33 VanDerWaalsContact C-N 3.33Å; Q31-I33 PolarHBondContact O-N 2.95Å; Q31-S34 PolarHBondContact O-N 2.82Å; Q31-S34 PolarHBondContact O-OG 3.28Å; Q31-L35 WeakPolarHBondContact O-CG 3.34Å; Q31-L35 PolarHBondContact O-N 3.24Å; Q31-L35 VanDerWaalsContact O-N 3.13Å
32L67.1Low64.8Low25 Ų2587.4 Ų87.413%0.13147%0.469CS..Hα-helixtrans-58.1-42.6177-97.5161.8000113.2W9 V13 C28 L29 S36W9-L32 HydrophobicContact CH2-CD2 3.41Å; W9-L32 VanDerWaalsContact CH2-CD2 3.41Å; W9-L32 HydrophobicContact CZ2-CD2 3.56Å; V13-L32 HydrophobicContact CG1-CD1 4.38Å; C28-L32 VanDerWaalsContact O-CB 3.32Å; C28-L32 WeakPolarHBondContact O-CB 3.31Å; C28-L32 PolarHBondContact O-N 3.34Å; L29-L32 WeakPolarHBondContact O-CB 3.4Å; L29-L32 PolarHBondContact O-N 3.02Å; L32-S36 VanDerWaalsContact O-CB 3.28Å; L32-S36 WeakPolarHBondContact O-CB 3.39Å; L32-S36 PolarHBondContact O-N 3.37Å; L32-S36 PolarHBondContact O-OG 3.26Å
33I65.9Low64.8Low97 Ų9788.1 Ų88.150%0.49747%0.469SS..Hα-helixtrans-68.7-43.1178.8-67.6164.5000110.2L29 D30 Q31 L35 S36 L41L29-I33 VanDerWaalsContact O-CG1 3.27Å; L29-I33 WeakPolarHBondContact O-CG1 3.27Å; L29-I33 PolarHBondContact O-N 3.04Å; D30-I33 PolarHBondContact O-N 3.37Å; Q31-I33 VanDerWaalsContact C-N 3.33Å; Q31-I33 PolarHBondContact O-N 2.95Å; I33-L35 PolarHBondContact O-N 2.66Å; I33-S36 PolarHBondContact O-N 3.05Å; I33-L41 HydrophobicContact CB-CD2 4.4Å; I33-L41 HydrophobicContact CG1-CD2 4.23Å; I33-L41 HydrophobicContact CG2-CD2 4.22Å
34S66.9Low64.5Low94 Ų9481.7 Ų81.766%0.65744%0.439SS*.Hα-helixtrans-64.4-27.3-179.4730000114D30 Q31D30-S34 WeakPolarHBondContact O-CB 3.48Å; D30-S34 PolarHBondContact O-N 3.22Å; D30-S34 PolarHBondContact O-OG 2.93Å; Q31-S34 PolarHBondContact O-N 2.82Å; Q31-S34 PolarHBondContact O-OG 3.28Å
35L64.1Low64.1Low152 Ų15281 Ų8180%0.79645%0.445SS*.THydrogen-bonded Turntrans-93.9-4.6-178.8-66.8168.9000113.3Q31 I33Q31-L35 WeakPolarHBondContact O-CG 3.34Å; Q31-L35 PolarHBondContact O-N 3.24Å; Q31-L35 VanDerWaalsContact O-N 3.13Å; I33-L35 PolarHBondContact O-N 2.66Å
36S71Confident63.9Low30 Ų3083.8 Ų83.821%0.2147%0.465CS..  trans-107138.8-171.4-67.30000113.3L32 I33L32-S36 VanDerWaalsContact O-CB 3.28Å; L32-S36 WeakPolarHBondContact O-CB 3.39Å; L32-S36 PolarHBondContact O-N 3.37Å; L32-S36 PolarHBondContact O-OG 3.26Å; I33-S36 PolarHBondContact O-N 3.05Å
37G68.1Low63.7Low34 Ų3480.2 Ų80.235%0.35145%0.451SS..  trans-83.9172.1170.200000113.3A39 Q40 L41G37-A39 VanDerWaalsContact C-N 3.29Å; G37-A39 PolarHBondContact O-N 3.41Å; G37-Q40 VanDerWaalsContact C-OE1 3.29Å; G37-Q40 VanDerWaalsContact CA-OE1 3.25Å; G37-Q40 PolarHBondContact O-N 2.9Å; G37-Q40 VanDerWaalsContact O-N 3.08Å; G37-Q40 PolarHBondContact O-OE1 3.28Å; G37-L41 WeakPolarHBondContact O-CG 3.42Å; G37-L41 PolarHBondContact O-N 3.46Å
38A59.4Low63Low88 Ų8876.3 Ų76.373%0.72743%0.433SS*.Hα-helixtrans-57.8-34.5-173.500000114.7R42A38-R42 PolarHBondContact O-N 2.93Å
39A63.1Low62.4Low65 Ų6580.7 Ų80.754%0.53745%0.45SS..Hα-helixtrans-70.9-4117700000111.9G37 R42 H43G37-A39 VanDerWaalsContact C-N 3.29Å; G37-A39 PolarHBondContact O-N 3.41Å; A39-R42 PolarHBondContact O-N 3.13Å; A39-H43 PolarHBondContact O-CD2 3.3Å; A39-H43 PolarHBondContact O-N 2.75Å
40Q61.4Low61.7Low89 Ų8984.7 Ų84.742%0.41648%0.476SS..Hα-helixtrans-68-40.2177.5-64.990-15.100111.7G37 R42 H43 L44G37-Q40 VanDerWaalsContact C-OE1 3.29Å; G37-Q40 VanDerWaalsContact CA-OE1 3.25Å; G37-Q40 PolarHBondContact O-N 2.9Å; G37-Q40 VanDerWaalsContact O-N 3.08Å; G37-Q40 PolarHBondContact O-OE1 3.28Å; Q40-R42 VanDerWaalsContact C-N 3.34Å; Q40-R42 PolarHBondContact O-N 3.29Å; Q40-H43 PolarHBondContact O-N 3.09Å; Q40-L44 WeakPolarHBondContact O-CB 3.32Å; Q40-L44 PolarHBondContact O-N 3.2Å
41L62.6Low60.9Low63 Ų6380.8 Ų80.833%0.3346%0.455SS..Hα-helixtrans-62.5-38.3176.6-70.8173.1000112.5I33 G37 H43 L44 S45I33-L41 HydrophobicContact CB-CD2 4.4Å; I33-L41 HydrophobicContact CG1-CD2 4.23Å; I33-L41 HydrophobicContact CG2-CD2 4.22Å; G37-L41 WeakPolarHBondContact O-CG 3.42Å; G37-L41 PolarHBondContact O-N 3.46Å; L41-H43 VanDerWaalsContact C-N 3.35Å; L41-H43 PolarHBondContact O-N 3.45Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.24Å
42R61.5Low60.3Low194 Ų19479.7 Ų79.773%0.73245%0.453SS*.Hα-helixtrans-65-37.1175-179.4175.9-93.1164.5-6.3112.3A38 A39 Q40A38-R42 PolarHBondContact O-N 2.93Å; A39-R42 PolarHBondContact O-N 3.13Å; Q40-R42 VanDerWaalsContact C-N 3.34Å; Q40-R42 PolarHBondContact O-N 3.29Å
43H61.7Low59.6Low113 Ų11387.8 Ų87.852%0.52349%0.487SS..Hα-helixtrans-72.4-40.9175-77.5-66.8000112.4F6 A39 Q40 L41 S45 N46 G47F6-H43 HydrophobicContact CE1-CB 3.78Å; F6-H43 HydrophobicContact CZ-CB 3.82Å; A39-H43 PolarHBondContact O-CD2 3.3Å; A39-H43 PolarHBondContact O-N 2.75Å; Q40-H43 PolarHBondContact O-N 3.09Å; L41-H43 VanDerWaalsContact C-N 3.35Å; L41-H43 PolarHBondContact O-N 3.45Å; H43-S45 PolarHBondContact O-N 3.24Å; H43-N46 PolarHBondContact O-N 3.48Å; H43-G47 PolarHBondContact O-N 2.9Å
44L60.9Low59.3Low8 Ų892.4 Ų92.44%0.04250%0.498CS..Hα-helixtrans-59.7-44174.6-87.7158.5000111.9F6 W9 Q40 L41 N46 G47 L48F6-L44 HydrophobicContact CZ-CG 4.3Å; W9-L44 HydrophobicContact CH2-CD2 4.28Å; W9-L44 HydrophobicContact CZ3-CD2 4.23Å; Q40-L44 WeakPolarHBondContact O-CB 3.32Å; Q40-L44 PolarHBondContact O-N 3.2Å; L41-L44 PolarHBondContact O-N 2.97Å; L44-N46 PolarHBondContact O-N 3.3Å; L44-G47 PolarHBondContact O-N 3.42Å; L44-G47 VanDerWaalsContact O-N 3.12Å; L44-L48 HydrophobicContact CB-CD1 3.93Å; L44-L48 HydrophobicContact CD2-CD1 3.67Å; L44-L48 HydrophobicContact CD2-CG 4.03Å; L44-L48 HydrophobicContact CG-CD1 4.4Å; L44-L48 WeakPolarHBondContact O-CB 3.05Å; L44-L48 WeakPolarHBondContact O-CG 3.08Å; L44-L48 PolarHBondContact O-N 2.95Å
45S60.5Low59.2Low82 Ų8290.4 Ų90.457%0.57348%0.48SS*.Hα-helixtrans-55.7-35.1176.6162.50000113.8L41 H43L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.24Å; H43-S45 PolarHBondContact O-N 3.24Å
46N59.7Low59.2Low121 Ų12189.6 Ų89.665%0.64747%0.47SS*.Hα-helixtrans-84.3-23.3-179.5-69-18.4000112.5H43 L44H43-N46 PolarHBondContact O-N 3.48Å; L44-N46 PolarHBondContact O-N 3.3Å
47G55.8Low58.9Low24 Ų2489.3 Ų89.325%0.24747%0.466CS..Hα-helixtrans-97.8-25.5-178.300000115H43 L44 E49 T50H43-G47 PolarHBondContact O-N 2.9Å; L44-G47 PolarHBondContact O-N 3.42Å; L44-G47 VanDerWaalsContact O-N 3.12Å; G47-E49 VanDerWaalsContact C-N 3.29Å; G47-E49 PolarHBondContact O-N 2.68Å; G47-T50 PolarHBondContact O-OG1 3.27Å
48L53.1Low58.9Low25 Ų2595.6 Ų95.613%0.13148%0.479CS..G310 helixtrans-80.5-0.4-178.8-80.5166.6000114.3L29 L44 T50 L51 L52L29-L48 HydrophobicContact CD2-CD1 4.24Å; L29-L48 HydrophobicContact CD2-CD2 4.07Å; L44-L48 HydrophobicContact CB-CD1 3.93Å; L44-L48 HydrophobicContact CD2-CD1 3.67Å; L44-L48 HydrophobicContact CD2-CG 4.03Å; L44-L48 HydrophobicContact CG-CD1 4.4Å; L44-L48 WeakPolarHBondContact O-CB 3.05Å; L44-L48 WeakPolarHBondContact O-CG 3.08Å; L44-L48 PolarHBondContact O-N 2.95Å; L48-T50 PolarHBondContact O-N 3.08Å; L48-L51 HydrophobicContact CD2-CB 4.05Å; L48-L51 HydrophobicContact CD2-CD1 3.72Å; L48-L51 HydrophobicContact CD2-CG 4.46Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-L52 HydrophobicContact CB-CD1 4.32Å; L48-L52 PolarHBondContact O-N 2.86Å
49E53Low59.2Low128 Ų12896.2 Ų96.260%0.59847%0.47SS*.G310 helixtrans-56.1-21.8175.7-125.6-170.216200112.2G47 R58G47-E49 VanDerWaalsContact C-N 3.29Å; G47-E49 PolarHBondContact O-N 2.68Å; E49-R58 IonicContact OE1-NH1 2.54Å; E49-R58 PolarHBondContact OE1-NH1 3.15Å
50T50.9Low59.5Low109 Ų10995.1 Ų95.167%0.66946%0.455SS*.G310 helixtrans-81.4-19.9176.852.20000114.2G47 L48G47-T50 PolarHBondContact O-OG1 3.27Å; L48-T50 PolarHBondContact O-N 3.08Å
51L47.1Very low60.2Low27 Ų2794.2 Ų94.214%0.14146%0.457CS..THydrogen-bonded Turntrans-111.8-21.7-169.4-69.5171.1000113.9F17 L18 L48F17-L51 HydrophobicContact CB-CD1 4.21Å; F17-L51 HydrophobicContact CB-CD2 4.29Å; F17-L51 HydrophobicContact CD1-CB 3.9Å; F17-L51 HydrophobicContact CD1-CD1 3.87Å; F17-L51 HydrophobicContact CD1-CD2 3.43Å; F17-L51 VanDerWaalsContact CD1-CD2 3.43Å; F17-L51 HydrophobicContact CD1-CG 3.9Å; F17-L51 HydrophobicContact CE1-CB 3.8Å; F17-L51 HydrophobicContact CE1-CD1 4.47Å; F17-L51 HydrophobicContact CE1-CD2 4.17Å; F17-L51 HydrophobicContact CE1-CG 4.33Å; F17-L51 HydrophobicContact CG-CD1 4.1Å; F17-L51 HydrophobicContact CG-CD2 4.22Å; L18-L51 HydrophobicContact CD2-CD2 3.78Å; L18-L51 HydrophobicContact CG-CD2 3.83Å; L48-L51 HydrophobicContact CD2-CB 4.05Å; L48-L51 HydrophobicContact CD2-CD1 3.72Å; L48-L51 HydrophobicContact CD2-CG 4.46Å; L48-L51 PolarHBondContact O-N 3.43Å
52L52.6Low60.8Low105 Ų10595.5 Ų95.555%0.5546%0.464SS..SBendtrans-84.9138.3170.5-82.9143.8000109.9L48 R54L48-L52 HydrophobicContact CB-CD1 4.32Å; L48-L52 PolarHBondContact O-N 2.86Å; L52-R54 PolarHBondContact O-N 2.94Å; L52-R54 VanDerWaalsContact O-N 3.09Å
53K52.4Low61.4Low196 Ų19693 Ų9385%0.85246%0.46SS*.  trans-44.9122.5175.2-81.8-178177.6176.10109.3D55K53-D55 PolarHBondContact O-N 3.34Å
54R58.9Low61.8Low194 Ų19491.9 Ų91.973%0.73246%0.458SS*.  trans-48.2134.4-179.4-68.7-179.9172.9178.1-2.7110L52 F56 L59L52-R54 PolarHBondContact O-N 2.94Å; L52-R54 VanDerWaalsContact O-N 3.09Å; R54-F56 PolarHBondContact O-N 3.46Å; R54-L59 HydrophobicContact CB-CD1 3.44Å; R54-L59 VanDerWaalsContact CB-CD1 3.44Å; R54-L59 HydrophobicContact CB-CG 4.16Å; R54-L59 HydrophobicContact CG-CD1 4.3Å
55D64.4Low62.6Low52 Ų5291.6 Ų91.628%0.27846%0.456SS..  trans-51.2108.8176.2-178.4-12.7000109.9K53 L57 R58 L59 W87K53-D55 PolarHBondContact O-N 3.34Å; D55-L57 VanDerWaalsContact C-N 3.28Å; D55-L57 PolarHBondContact O-N 2.9Å; D55-L57 PolarHBondContact OD1-N 3.42Å; D55-R58 HydrophobicContact CB-CB 3.85Å; D55-R58 VanDerWaalsContact O-CB 3.31Å; D55-R58 WeakPolarHBondContact O-CB 3.35Å; D55-R58 PolarHBondContact O-N 3.3Å; D55-L59 PolarHBondContact O-N 3.15Å; D55-W87 VanDerWaalsContact CG-NE1 3.25Å; D55-W87 PolarHBondContact OD1-NE1 3.23Å; D55-W87 PolarHBondContact OD2-NE1 3.25Å
56F65.1Low63.5Low134 Ų13490.3 Ų90.359%0.58844%0.441SS*.Hα-helixtrans-59.8-38.7-171.1177.3-108.2000112.2R54 R58 L59 L60 L68R54-F56 PolarHBondContact O-N 3.46Å; F56-R58 VanDerWaalsContact C-N 3.31Å; F56-R58 PolarHBondContact O-N 2.96Å; F56-L59 PolarHBondContact O-N 3.33Å; F56-L60 HydrophobicContact CD1-CD1 3.83Å; F56-L60 HydrophobicContact CE1-CD1 3.5Å; F56-L60 VanDerWaalsContact CE1-CD1 3.5Å; F56-L60 HydrophobicContact CE1-CG 4.43Å; F56-L60 HydrophobicContact CE2-CD1 4.43Å; F56-L60 HydrophobicContact CG-CD1 4.46Å; F56-L60 HydrophobicContact CZ-CD1 3.82Å; F56-L60 HydrophobicContact CZ-CD2 4.35Å; F56-L60 HydrophobicContact CZ-CG 4.37Å; F56-L60 WeakPolarHBondContact O-CG 3.48Å; F56-L60 PolarHBondContact O-N 3.48Å; F56-L68 HydrophobicContact CE1-CD1 3.64Å; F56-L68 HydrophobicContact CZ-CD1 4.19Å
57L65.3Low64.4Low24 Ų2491.1 Ų91.113%0.12644%0.436CS..Hα-helixtrans-71.5-26.4178.1-106.6159.2000112.5D55 L59 A65 L69 W87 V90D55-L57 VanDerWaalsContact C-N 3.28Å; D55-L57 PolarHBondContact O-N 2.9Å; D55-L57 PolarHBondContact OD1-N 3.42Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-A65 HydrophobicContact CD2-CB 3.41Å; L57-A65 VanDerWaalsContact CD2-CB 3.41Å; L57-L69 HydrophobicContact CD1-CD2 4.14Å; L57-L69 HydrophobicContact CD2-CD1 4.49Å; L57-W87 HydrophobicContact CB-CD2 4.4Å; L57-W87 HydrophobicContact CB-CZ2 3.85Å; L57-W87 HydrophobicContact CD1-CD2 3.71Å; L57-W87 HydrophobicContact CD1-CE3 3.57Å; L57-W87 HydrophobicContact CD1-CH2 3.35Å; L57-W87 HydrophobicContact CD1-CZ2 3.45Å; L57-W87 VanDerWaalsContact CD1-CZ2 3.45Å; L57-W87 HydrophobicContact CD1-CZ3 3.37Å; L57-W87 HydrophobicContact CG-CH2 4.45Å; L57-W87 HydrophobicContact CG-CZ2 4.19Å; L57-V90 HydrophobicContact CD2-CG1 4.49Å
58R66.7Low65.5Low166 Ų16693.4 Ų93.463%0.62644%0.442SS*.Hα-helixtrans-72.2-24.3173.3-171.1177.9176.7-179.1-1.6112.6E49 D55 F56E49-R58 IonicContact OE1-NH1 2.54Å; E49-R58 PolarHBondContact OE1-NH1 3.15Å; D55-R58 HydrophobicContact CB-CB 3.85Å; D55-R58 VanDerWaalsContact O-CB 3.31Å; D55-R58 WeakPolarHBondContact O-CB 3.35Å; D55-R58 PolarHBondContact O-N 3.3Å; F56-R58 VanDerWaalsContact C-N 3.31Å; F56-R58 PolarHBondContact O-N 2.96Å
59L67.4Low66.9Low102 Ų10292.3 Ų92.353%0.53444%0.436SS..Hα-helixtrans-92.6-14.2-177.6-67.4178.5000113.9R54 D55 F56 L57R54-L59 HydrophobicContact CB-CD1 3.44Å; R54-L59 VanDerWaalsContact CB-CD1 3.44Å; R54-L59 HydrophobicContact CB-CG 4.16Å; R54-L59 HydrophobicContact CG-CD1 4.3Å; D55-L59 PolarHBondContact O-N 3.15Å; F56-L59 PolarHBondContact O-N 3.33Å; L57-L59 VanDerWaalsContact C-N 3.29Å
60L68.3Low68.2Low41 Ų4193 Ų9322%0.21543%0.433CS..SBendtrans-85.9144-178.4-74168.5000111.9F56 L64 A65 L68F56-L60 HydrophobicContact CD1-CD1 3.83Å; F56-L60 HydrophobicContact CE1-CD1 3.5Å; F56-L60 VanDerWaalsContact CE1-CD1 3.5Å; F56-L60 HydrophobicContact CE1-CG 4.43Å; F56-L60 HydrophobicContact CE2-CD1 4.43Å; F56-L60 HydrophobicContact CG-CD1 4.46Å; F56-L60 HydrophobicContact CZ-CD1 3.82Å; F56-L60 HydrophobicContact CZ-CD2 4.35Å; F56-L60 HydrophobicContact CZ-CG 4.37Å; F56-L60 WeakPolarHBondContact O-CG 3.48Å; F56-L60 PolarHBondContact O-N 3.48Å; L60-L64 HydrophobicContact CD2-CB 4.14Å; L60-L64 HydrophobicContact CD2-CD1 4.29Å; L60-A65 HydrophobicContact CB-CB 4.43Å; L60-L68 HydrophobicContact CD1-CD1 3.42Å; L60-L68 VanDerWaalsContact CD1-CD1 3.42Å
61P75.5Confident69.6Low70 Ų7096.4 Ų96.446%0.45543%0.434SS..  trans-52.3146.6158-22.832.9000111.1E63 L64 A65P61-E63 WeakPolarHBondContact CB-OE2 3.25Å; P61-E63 PolarHBondContact O-N 3.34Å; P61-L64 HydrophobicContact CG-CD1 4.21Å; P61-L64 PolarHBondContact O-N 3.38Å; P61-L64 VanDerWaalsContact O-N 3.13Å; P61-A65 PolarHBondContact O-N 2.72Å
62L75.8Confident71.2Confident91 Ų9198.2 Ų98.248%0.47644%0.443SS..Hα-helixtrans-58.6-34.4-175.3-79.8166.9000112.3A65 F66 V90L62-A65 WeakPolarHBondContact O-CB 3.45Å; L62-A65 PolarHBondContact O-N 3.12Å; L62-F66 HydrophobicContact CD2-CE1 4.41Å; L62-F66 HydrophobicContact CD2-CZ 4.37Å; L62-F66 WeakPolarHBondContact O-CB 3.42Å; L62-F66 WeakPolarHBondContact O-CG 3.45Å; L62-F66 PolarHBondContact O-N 3.28Å; L62-V90 HydrophobicContact CD2-CG1 4.22Å; L62-V90 HydrophobicContact CD2-CG2 4.21Å
63E73.4Confident72.6Confident140 Ų14096.9 Ų96.965%0.65444%0.437SS*.Hα-helixtrans-65.8-42.6-179.9-56.677-169.200111.3P61 F66 Y67P61-E63 WeakPolarHBondContact CB-OE2 3.25Å; P61-E63 PolarHBondContact O-N 3.34Å; E63-F66 PolarHBondContact O-N 3.28Å; E63-Y67 WeakPolarHBondContact O-CB 3.49Å; E63-Y67 PolarHBondContact O-N 2.84Å
64L71.3Confident73.9Confident91 Ų9188.7 Ų88.748%0.47640%0.403SS..Hα-helixtrans-73-35.5176.7-68.7178.8000111.6L60 P61 Y67 L68L60-L64 HydrophobicContact CD2-CB 4.14Å; L60-L64 HydrophobicContact CD2-CD1 4.29Å; P61-L64 HydrophobicContact CG-CD1 4.21Å; P61-L64 PolarHBondContact O-N 3.38Å; P61-L64 VanDerWaalsContact O-N 3.13Å; L64-Y67 PolarHBondContact O-N 3.46Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.26Å
65A77.7Confident74.8Confident2 Ų285 Ų852%0.01739%0.394CS..Hα-helixtrans-58.6-49.4171.200000111L57 L60 P61 L62 L68 L69 V90L57-A65 HydrophobicContact CD2-CB 3.41Å; L57-A65 VanDerWaalsContact CD2-CB 3.41Å; L60-A65 HydrophobicContact CB-CB 4.43Å; P61-A65 PolarHBondContact O-N 2.72Å; L62-A65 WeakPolarHBondContact O-CB 3.45Å; L62-A65 PolarHBondContact O-N 3.12Å; A65-L68 PolarHBondContact O-N 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.4Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.29Å; A65-V90 HydrophobicContact CB-CG1 4.32Å
66F80.1Confident75.7Confident55 Ų5585 Ų8524%0.24140%0.396CS..Hα-helixtrans-63.5-42.4177.8-67-13.3000112.5L62 E63 L68 L69 R70 V90 C94L62-F66 HydrophobicContact CD2-CE1 4.41Å; L62-F66 HydrophobicContact CD2-CZ 4.37Å; L62-F66 WeakPolarHBondContact O-CB 3.42Å; L62-F66 WeakPolarHBondContact O-CG 3.45Å; L62-F66 PolarHBondContact O-N 3.28Å; E63-F66 PolarHBondContact O-N 3.28Å; F66-L68 VanDerWaalsContact C-N 3.29Å; F66-L68 PolarHBondContact O-N 2.96Å; F66-L69 HydrophobicContact CD1-CD1 4.39Å; F66-L69 PolarHBondContact O-N 3.4Å; F66-R70 PolarHBondContact O-N 2.94Å; F66-R70 VanDerWaalsContact O-N 3.08Å; F66-V90 HydrophobicContact CD1-CG1 4.21Å; F66-V90 HydrophobicContact CE1-CG1 3.76Å; F66-V90 WeakPolarHBondContact CE1-O 3.31Å; F66-C94 HydrophobicContact CD1-CB 3.66Å; F66-C94 WeakPolarHBondContact CD1-SG 3.27Å; F66-C94 HydrophobicContact CE1-CB 3.66Å; F66-C94 HydrophobicContact CG-CB 4.19Å; F66-C94 WeakPolarHBondContact CG-SG 3.38Å; F66-C94 HydrophobicContact CZ-CB 4.19Å
67Y76.6Confident76.5Confident138 Ų13878.6 Ų78.654%0.54137%0.368SS..Hα-helixtrans-56.9-43.8175.2-178.6-97.7000111.9E63 L64 W71E63-Y67 WeakPolarHBondContact O-CB 3.49Å; E63-Y67 PolarHBondContact O-N 2.84Å; L64-Y67 PolarHBondContact O-N 3.46Å; Y67-W71 AromaticContact CE1-NE1 3.56Å; Y67-W71 AromaticContact CZ-NE1 3.64Å; Y67-W71 PolarHBondContact O-NE1 3.04Å
68L79.8Confident77.2Confident71 Ų7179.1 Ų79.137%0.37237%0.371SS..Hα-helixtrans-69.7-43.2178.1-72.7167.9000112.7F56 L60 L64 A65 F66 R70 W71F56-L68 HydrophobicContact CE1-CD1 3.64Å; F56-L68 HydrophobicContact CZ-CD1 4.19Å; L60-L68 HydrophobicContact CD1-CD1 3.42Å; L60-L68 VanDerWaalsContact CD1-CD1 3.42Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.26Å; A65-L68 PolarHBondContact O-N 3.31Å; F66-L68 VanDerWaalsContact C-N 3.29Å; F66-L68 PolarHBondContact O-N 2.96Å; L68-R70 PolarHBondContact O-N 2.89Å; L68-W71 PolarHBondContact O-N 3.06Å
69L82.6Confident78Confident2 Ų275.2 Ų75.21%0.0137%0.366CS..Hα-helixtrans-61.2-28.8180-71.5172.4000112.2L57 A65 F66 W71 L72 L77 V90 I91 V97L57-L69 HydrophobicContact CD1-CD2 4.14Å; L57-L69 HydrophobicContact CD2-CD1 4.49Å; A65-L69 WeakPolarHBondContact O-CB 3.4Å; A65-L69 WeakPolarHBondContact O-CG 3.49Å; A65-L69 PolarHBondContact O-N 3.29Å; F66-L69 HydrophobicContact CD1-CD1 4.39Å; F66-L69 PolarHBondContact O-N 3.4Å; L69-W71 PolarHBondContact O-N 3.06Å; L69-L72 HydrophobicContact CD2-CD1 3.81Å; L69-L72 PolarHBondContact O-N 3.21Å; L69-L72 VanDerWaalsContact O-N 3.16Å; L69-L77 HydrophobicContact CB-CD2 4.16Å; L69-L77 HydrophobicContact CD2-CD2 3.87Å; L69-V90 HydrophobicContact CD1-CG1 4.06Å; L69-I91 HydrophobicContact CD1-CG1 3.75Å; L69-I91 HydrophobicContact CD2-CD1 4.26Å; L69-I91 HydrophobicContact CD2-CG1 3.85Å; L69-I91 HydrophobicContact CG-CG1 4.46Å; L69-V97 HydrophobicContact CB-CG2 3.98Å
70R79.7Confident78.6Confident144 Ų14471.1 Ų71.154%0.54335%0.345SS..THydrogen-bonded Turntrans-60.7-24.2174.7-179177.1166.6178.9-3.3113.9F66 L68 V97F66-R70 PolarHBondContact O-N 2.94Å; F66-R70 VanDerWaalsContact O-N 3.08Å; L68-R70 PolarHBondContact O-N 2.89Å; R70-V97 HydrophobicContact CB-CG2 4.35Å
71W80.3Confident79.2Confident180 Ų18069.6 Ų69.668%0.68234%0.338SS*.THydrogen-bonded Turntrans-89.4-6.5179.9-60.394.1000113.5Y67 L68 L69Y67-W71 AromaticContact CE1-NE1 3.56Å; Y67-W71 AromaticContact CZ-NE1 3.64Å; Y67-W71 PolarHBondContact O-NE1 3.04Å; L68-W71 PolarHBondContact O-N 3.06Å; L69-W71 PolarHBondContact O-N 3.06Å
72L81.4Confident79.3Confident65 Ų6573.4 Ų73.434%0.3435%0.354SS..SBendtrans-86.8139.6178.5-62.6178000109.8L69 T76 L77L69-L72 HydrophobicContact CD2-CD1 3.81Å; L69-L72 PolarHBondContact O-N 3.21Å; L69-L72 VanDerWaalsContact O-N 3.16Å; L72-T76 HydrophobicContact CB-CG2 4.38Å; L72-T76 HydrophobicContact CD1-CG2 4.34Å; L72-T76 HydrophobicContact CD2-CG2 4.05Å; L72-L77 HydrophobicContact CB-CD2 3.92Å; L72-L77 HydrophobicContact CB-CG 3.87Å; L72-L77 HydrophobicContact CD1-CD2 4.09Å
73D81.4Confident79.5Confident77 Ų7773.5 Ų73.541%0.41236%0.358SS..  trans-67.4157.1172.973.686.2000110.9Q75 T76 L77D73-Q75 VanDerWaalsContact C-N 3.27Å; D73-Q75 PolarHBondContact O-N 3.36Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.18Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.43Å; D73-Q75 PolarHBondContact OD1-N 2.97Å; D73-T76 PolarHBondContact O-N 3.19Å; D73-T76 VanDerWaalsContact O-N 3.14Å; D73-T76 PolarHBondContact OD1-N 3.36Å; D73-T76 PolarHBondContact OD1-OG1 2.77Å; D73-T76 WeakPolarHBondContact OD2-CB 3.46Å; D73-T76 PolarHBondContact OD2-OG1 3.18Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 2.9Å
74P79.8Confident79.7Confident23 Ų2369 Ų6915%0.14934%0.342CS..Hα-helixtrans-58.2-33.4-176.4-24.933.2000114.9L77 L78 V101 Y123P74-L77 PolarHBondContact O-N 3.46Å; P74-L78 WeakPolarHBondContact O-CG 3.47Å; P74-L78 PolarHBondContact O-N 3.45Å; P74-L78 VanDerWaalsContact O-N 3.09Å; P74-V101 HydrophobicContact CB-CG1 3.8Å; P74-V101 HydrophobicContact CB-CG2 4.2Å; P74-V101 HydrophobicContact CG-CB 4.18Å; P74-V101 HydrophobicContact CG-CG1 3.5Å; P74-V101 VanDerWaalsContact CG-CG1 3.5Å; P74-V101 HydrophobicContact CG-CG2 3.73Å; P74-Y123 HydrophobicContact CB-CE1 4.28Å; P74-Y123 HydrophobicContact CB-CE2 3.86Å; P74-Y123 VanDerWaalsContact CB-CZ 3.5Å; P74-Y123 WeakPolarHBondContact CB-OH 3.47Å; P74-Y123 HydrophobicContact CG-CE2 4.42Å
75Q78.1Confident80.2Confident117 Ų11774.1 Ų74.155%0.54736%0.36SS..Hα-helixtrans-70.4-42.9179.8-171.5108.6-24.900110.1D73 L78 T79D73-Q75 VanDerWaalsContact C-N 3.27Å; D73-Q75 PolarHBondContact O-N 3.36Å; D73-Q75 WeakPolarHBondContact OD1-CA 3.18Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.43Å; D73-Q75 PolarHBondContact OD1-N 2.97Å; Q75-L78 PolarHBondContact O-N 2.87Å; Q75-T79 PolarHBondContact O-N 3.17Å; Q75-T79 PolarHBondContact O-OG1 3.13Å
76T83.4Confident80.3Confident51 Ų5178.7 Ų78.731%0.31338%0.381SS..Hα-helixtrans-62.6-44173.5-62.60000110.6L72 D73 L78 T79 C80L72-T76 HydrophobicContact CB-CG2 4.38Å; L72-T76 HydrophobicContact CD1-CG2 4.34Å; L72-T76 HydrophobicContact CD2-CG2 4.05Å; D73-T76 PolarHBondContact O-N 3.19Å; D73-T76 VanDerWaalsContact O-N 3.14Å; D73-T76 PolarHBondContact OD1-N 3.36Å; D73-T76 PolarHBondContact OD1-OG1 2.77Å; D73-T76 WeakPolarHBondContact OD2-CB 3.46Å; D73-T76 PolarHBondContact OD2-OG1 3.18Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.03Å; T76-T79 CarbonylContact O-C 3.58Å; T76-T79 WeakPolarHBondContact O-CA 3.42Å; T76-T79 WeakPolarHBondContact O-CB 3.32Å; T76-T79 PolarHBondContact O-N 3.26Å; T76-C80 VanDerWaalsContact O-CB 3.31Å; T76-C80 WeakPolarHBondContact O-CB 3.34Å; T76-C80 PolarHBondContact O-N 3.26Å; T76-C80 PolarHBondContact O-SG 3.34Å
77L82.9Confident80.4Confident1 Ų178.3 Ų78.31%0.00538%0.378CS..Hα-helixtrans-57.3-42.4176.3-73.9168.5000113.4L69 L72 D73 P74 C80 C81 I91 V97 V101L69-L77 HydrophobicContact CB-CD2 4.16Å; L69-L77 HydrophobicContact CD2-CD2 3.87Å; L72-L77 HydrophobicContact CB-CD2 3.92Å; L72-L77 HydrophobicContact CB-CG 3.87Å; L72-L77 HydrophobicContact CD1-CD2 4.09Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 2.9Å; P74-L77 PolarHBondContact O-N 3.46Å; L77-C80 WeakPolarHBondContact O-CB 3.4Å; L77-C80 PolarHBondContact O-N 2.93Å; L77-C81 PolarHBondContact O-N 2.97Å; L77-C81 PolarHBondContact O-SG 3.09Å; L77-I91 HydrophobicContact CD2-CG2 4.21Å; L77-V97 HydrophobicContact CD1-CG1 3.36Å; L77-V97 HydrophobicContact CD2-CG1 4.17Å; L77-V97 HydrophobicContact CG-CG1 4.41Å; L77-V101 HydrophobicContact CD1-CG2 4.2Å
78L79.9Confident80.7Confident34 Ų3474.7 Ų74.718%0.17837%0.368CS..Hα-helixtrans-65.7-40.5174.5-73.1177.5000112.2P74 Q75 T76 C80 C81 W98 Y123 L124 K127P74-L78 WeakPolarHBondContact O-CG 3.47Å; P74-L78 PolarHBondContact O-N 3.45Å; P74-L78 VanDerWaalsContact O-N 3.09Å; Q75-L78 PolarHBondContact O-N 2.87Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.03Å; L78-C80 VanDerWaalsContact C-N 3.33Å; L78-C81 WeakPolarHBondContact O-CB 3.37Å; L78-C81 PolarHBondContact O-N 2.76Å; L78-W98 HydrophobicContact CD2-CH2 3.89Å; L78-W98 HydrophobicContact CG-CH2 4.45Å; L78-Y123 HydrophobicContact CD1-CE1 3.87Å; L78-Y123 HydrophobicContact CG-CE1 4.3Å; L78-L124 HydrophobicContact CD1-CD2 4.21Å; L78-L124 HydrophobicContact CD2-CD2 3.87Å; L78-K127 HydrophobicContact CD1-CD 4.25Å
79T81.9Confident80.9Confident84 Ų8478.4 Ų78.452%0.51538%0.381SS..Hα-helixtrans-63.6-42.3176.4-53.20000110.7Q75 T76 C81 L82Q75-T79 PolarHBondContact O-N 3.17Å; Q75-T79 PolarHBondContact O-OG1 3.13Å; T76-T79 CarbonylContact O-C 3.58Å; T76-T79 WeakPolarHBondContact O-CA 3.42Å; T76-T79 WeakPolarHBondContact O-CB 3.32Å; T76-T79 PolarHBondContact O-N 3.26Å; T79-C81 VanDerWaalsContact C-N 3.27Å; T79-C81 PolarHBondContact O-N 2.96Å; T79-L82 WeakPolarHBondContact O-CB 3.27Å; T79-L82 PolarHBondContact O-N 3.27Å
80C81.2Confident80.9Confident16 Ų1678.9 Ų78.911%0.10838%0.384CS..Hα-helixtrans-59.1-34.8173.6-72.30000112.3T76 L77 L78 L82 V83 W87 I91T76-C80 VanDerWaalsContact O-CB 3.31Å; T76-C80 WeakPolarHBondContact O-CB 3.34Å; T76-C80 PolarHBondContact O-N 3.26Å; T76-C80 PolarHBondContact O-SG 3.34Å; L77-C80 WeakPolarHBondContact O-CB 3.4Å; L77-C80 PolarHBondContact O-N 2.93Å; L78-C80 VanDerWaalsContact C-N 3.33Å; C80-L82 PolarHBondContact O-N 3.4Å; C80-V83 WeakPolarHBondContact O-CB 3.44Å; C80-V83 PolarHBondContact O-N 3.38Å; C80-W87 HydrophobicContact CB-CE3 3.62Å; C80-W87 HydrophobicContact CB-CZ3 3.67Å; C80-W87 WeakPolarHBondContact O-CB 3.42Å; C80-W87 VanDerWaalsContact SG-CZ3 3.59Å; C80-I91 HydrophobicContact CB-CD1 3.55Å
81C79.8Confident81.1Confident10 Ų1072 Ų727%0.06836%0.358CS..Hα-helixtrans-64.2-21.6173.1-66.90000113.4L77 L78 T79 N88 I91L77-C81 PolarHBondContact O-N 2.97Å; L77-C81 PolarHBondContact O-SG 3.09Å; L78-C81 WeakPolarHBondContact O-CB 3.37Å; L78-C81 PolarHBondContact O-N 2.76Å; T79-C81 VanDerWaalsContact C-N 3.27Å; T79-C81 PolarHBondContact O-N 2.96Å; C81-N88 HydrophobicContact CB-CB 4.27Å; C81-N88 WeakPolarHBondContact O-CB 3.46Å; C81-I91 VanDerWaalsContact SG-CG2 3.55Å
82L78.4Confident81.3Confident149 Ų14965 Ų6578%0.7834%0.336SS*.Hα-helixtrans-85.9-15179.5-57.5175.5000113T79 C80T79-L82 WeakPolarHBondContact O-CB 3.27Å; T79-L82 PolarHBondContact O-N 3.27Å; C80-L82 PolarHBondContact O-N 3.4Å
83V79.4Confident81.5Confident94 Ų9464.7 Ų64.757%0.5734%0.34SS*.Hα-helixtrans-62.7-52-176.3176.10000111.2C80 W87C80-V83 WeakPolarHBondContact O-CB 3.44Å; C80-V83 PolarHBondContact O-N 3.38Å; V83-W87 HydrophobicContact CB-CD2 4.41Å; V83-W87 HydrophobicContact CB-CG 4.5Å
84C78.9Confident81.6Confident46 Ų4661.2 Ų61.231%0.31132%0.321SS..  trans-159.2166.2173.7810000112.3Q86 W87 N88C84-Q86 PolarHBondContact O-N 2.94Å; C84-W87 PolarHBondContact O-N 2.92Å; C84-W87 PolarHBondContact SG-N 3.42Å; C84-W87 VanDerWaalsContact SG-N 3.42Å; C84-N88 PolarHBondContact O-N 3.22Å; C84-N88 VanDerWaalsContact O-N 3.09Å
85K80.2Confident81.9Confident197 Ų19760.9 Ų60.986%0.85732%0.319SS*.Hα-helixtrans-58-34.9179.6-69.2-173.9179-178.40113.1K89K85-K89 WeakPolarHBondContact O-CB 3.42Å; K85-K89 PolarHBondContact O-N 3.04Å
86Q80.4Confident82.2Confident99 Ų9961.2 Ų61.246%0.46332%0.321SS..Hα-helixtrans-71.5-44.4-178.8-174.562.219.200111.5C84 N88 K89 V90C84-Q86 PolarHBondContact O-N 2.94Å; Q86-N88 VanDerWaalsContact C-N 3.33Å; Q86-N88 PolarHBondContact O-N 3.1Å; Q86-K89 WeakPolarHBondContact O-CB 3.2Å; Q86-K89 PolarHBondContact O-N 3.23Å; Q86-K89 VanDerWaalsContact O-N 3.15Å; Q86-V90 WeakPolarHBondContact O-CG2 3.23Å; Q86-V90 PolarHBondContact O-N 2.87Å
87W81.8Confident82.3Confident47 Ų4758.9 Ų58.918%0.17831%0.307CS..Hα-helixtrans-58-46.8173.5-83.955.3000111.3D55 L57 C80 V83 C84 K89 V90 I91D55-W87 VanDerWaalsContact CG-NE1 3.25Å; D55-W87 PolarHBondContact OD1-NE1 3.23Å; D55-W87 PolarHBondContact OD2-NE1 3.25Å; L57-W87 HydrophobicContact CB-CD2 4.4Å; L57-W87 HydrophobicContact CB-CZ2 3.85Å; L57-W87 HydrophobicContact CD1-CD2 3.71Å; L57-W87 HydrophobicContact CD1-CE3 3.57Å; L57-W87 HydrophobicContact CD1-CH2 3.35Å; L57-W87 HydrophobicContact CD1-CZ2 3.45Å; L57-W87 VanDerWaalsContact CD1-CZ2 3.45Å; L57-W87 HydrophobicContact CD1-CZ3 3.37Å; L57-W87 HydrophobicContact CG-CH2 4.45Å; L57-W87 HydrophobicContact CG-CZ2 4.19Å; C80-W87 HydrophobicContact CB-CE3 3.62Å; C80-W87 HydrophobicContact CB-CZ3 3.67Å; C80-W87 WeakPolarHBondContact O-CB 3.42Å; C80-W87 VanDerWaalsContact SG-CZ3 3.59Å; V83-W87 HydrophobicContact CB-CD2 4.41Å; V83-W87 HydrophobicContact CB-CG 4.5Å; C84-W87 PolarHBondContact O-N 2.92Å; C84-W87 PolarHBondContact SG-N 3.42Å; C84-W87 VanDerWaalsContact SG-N 3.42Å; W87-K89 VanDerWaalsContact C-N 3.29Å; W87-K89 PolarHBondContact O-N 3.13Å; W87-V90 PolarHBondContact O-N 3.19Å; W87-I91 HydrophobicContact CB-CD1 4.46Å; W87-I91 HydrophobicContact CE3-CD1 4.17Å; W87-I91 WeakPolarHBondContact O-CB 3.44Å; W87-I91 WeakPolarHBondContact O-CD1 3.49Å; W87-I91 VanDerWaalsContact O-CG1 3.25Å; W87-I91 WeakPolarHBondContact O-CG1 3.31Å; W87-I91 PolarHBondContact O-N 2.78Å
88N83.2Confident82.5Confident62 Ų6258.9 Ų58.933%0.33231%0.306SS..Hα-helixtrans-57.4-43.3175.6-164.9-6.5000111.8C81 C84 Q86 S92 K120C81-N88 HydrophobicContact CB-CB 4.27Å; C81-N88 WeakPolarHBondContact O-CB 3.46Å; C84-N88 PolarHBondContact O-N 3.22Å; C84-N88 VanDerWaalsContact O-N 3.09Å; Q86-N88 VanDerWaalsContact C-N 3.33Å; Q86-N88 PolarHBondContact O-N 3.1Å; N88-S92 WeakPolarHBondContact O-CB 3.2Å; N88-S92 PolarHBondContact O-N 3.26Å; N88-S92 PolarHBondContact O-OG 3.49Å; N88-S92 PolarHBondContact OD1-OG 3.46Å; N88-K120 PolarHBondContact OD1-NZ 2.96Å
89K83.7Confident82.7Confident148 Ų14857.6 Ų57.664%0.64330%0.299SS*.Hα-helixtrans-62.5-47.9178.1-172179.9179.7-177.70111.9K85 Q86 W87 S93K85-K89 WeakPolarHBondContact O-CB 3.42Å; K85-K89 PolarHBondContact O-N 3.04Å; Q86-K89 WeakPolarHBondContact O-CB 3.2Å; Q86-K89 PolarHBondContact O-N 3.23Å; Q86-K89 VanDerWaalsContact O-N 3.15Å; W87-K89 VanDerWaalsContact C-N 3.29Å; W87-K89 PolarHBondContact O-N 3.13Å; K89-S93 WeakPolarHBondContact O-CB 3.46Å; K89-S93 PolarHBondContact O-N 3.23Å; K89-S93 VanDerWaalsContact O-N 3.08Å; K89-S93 PolarHBondContact O-OG 3.33Å
90V84.1Confident82.8Confident12 Ų1254.7 Ų54.77%0.07328%0.283CS..Hα-helixtrans-63.4-50.9-179.8175.30000110.4L57 L62 A65 F66 L69 Q86 W87 S92 S93 C94L57-V90 HydrophobicContact CD2-CG1 4.49Å; L62-V90 HydrophobicContact CD2-CG1 4.22Å; L62-V90 HydrophobicContact CD2-CG2 4.21Å; A65-V90 HydrophobicContact CB-CG1 4.32Å; F66-V90 HydrophobicContact CD1-CG1 4.21Å; F66-V90 HydrophobicContact CE1-CG1 3.76Å; F66-V90 WeakPolarHBondContact CE1-O 3.31Å; L69-V90 HydrophobicContact CD1-CG1 4.06Å; Q86-V90 WeakPolarHBondContact O-CG2 3.23Å; Q86-V90 PolarHBondContact O-N 2.87Å; W87-V90 PolarHBondContact O-N 3.19Å; V90-S92 PolarHBondContact O-N 3.44Å; V90-S93 PolarHBondContact O-N 3.43Å; V90-S93 VanDerWaalsContact O-N 3.12Å; V90-S93 PolarHBondContact O-OG 2.95Å; V90-C94 PolarHBondContact O-N 2.87Å
91I84.1Confident82.9Confident1 Ų154.2 Ų54.21%0.00528%0.279CS..Hα-helixtrans-63.8-41.8-179.4-62.5163.9000111L69 L77 C80 C81 W87 S93 C94 W98L69-I91 HydrophobicContact CD1-CG1 3.75Å; L69-I91 HydrophobicContact CD2-CD1 4.26Å; L69-I91 HydrophobicContact CD2-CG1 3.85Å; L69-I91 HydrophobicContact CG-CG1 4.46Å; L77-I91 HydrophobicContact CD2-CG2 4.21Å; C80-I91 HydrophobicContact CB-CD1 3.55Å; C81-I91 VanDerWaalsContact SG-CG2 3.55Å; W87-I91 HydrophobicContact CB-CD1 4.46Å; W87-I91 HydrophobicContact CE3-CD1 4.17Å; W87-I91 WeakPolarHBondContact O-CB 3.44Å; W87-I91 WeakPolarHBondContact O-CD1 3.49Å; W87-I91 VanDerWaalsContact O-CG1 3.25Å; W87-I91 WeakPolarHBondContact O-CG1 3.31Å; W87-I91 PolarHBondContact O-N 2.78Å; I91-S93 PolarHBondContact O-N 3.44Å; I91-C94 PolarHBondContact O-N 3.28Å; I91-W98 HydrophobicContact CG2-CZ2 3.88Å; I91-W98 PolarHBondContact O-NE1 3Å
92S83.9Confident83.1Confident31 Ų3153.7 Ų53.722%0.21728%0.276CS..Hα-helixtrans-71-14178.5-56.30000113.6N88 V90 A116 K120N88-S92 WeakPolarHBondContact O-CB 3.2Å; N88-S92 PolarHBondContact O-N 3.26Å; N88-S92 PolarHBondContact O-OG 3.49Å; N88-S92 PolarHBondContact OD1-OG 3.46Å; V90-S92 PolarHBondContact O-N 3.44Å; S92-A116 WeakPolarHBondContact O-CB 3.34Å; S92-K120 PolarHBondContact OG-NZ 3.25Å
93S84.9Confident83.2Confident60 Ų6051.4 Ų51.442%0.4226%0.257SS..THydrogen-bonded Turntrans-93.9-6.9176.165.20000113.8K89 V90 I91 T95K89-S93 WeakPolarHBondContact O-CB 3.46Å; K89-S93 PolarHBondContact O-N 3.23Å; K89-S93 VanDerWaalsContact O-N 3.08Å; K89-S93 PolarHBondContact O-OG 3.33Å; V90-S93 PolarHBondContact O-N 3.43Å; V90-S93 VanDerWaalsContact O-N 3.12Å; V90-S93 PolarHBondContact O-OG 2.95Å; I91-S93 PolarHBondContact O-N 3.44Å; S93-T95 PolarHBondContact O-N 2.61Å
94C84.8Confident83.2Confident3 Ų352.4 Ų52.42%0.0226%0.255CS..  trans-91.593.3-175-165.80000111.6F66 V90 I91 E96 V97 W98F66-C94 HydrophobicContact CD1-CB 3.66Å; F66-C94 WeakPolarHBondContact CD1-SG 3.27Å; F66-C94 HydrophobicContact CE1-CB 3.66Å; F66-C94 HydrophobicContact CG-CB 4.19Å; F66-C94 WeakPolarHBondContact CG-SG 3.38Å; F66-C94 HydrophobicContact CZ-CB 4.19Å; V90-C94 PolarHBondContact O-N 2.87Å; I91-C94 PolarHBondContact O-N 3.28Å; C94-E96 PolarHBondContact O-N 2.94Å; C94-V97 HydrophobicContact CB-CB 4.11Å; C94-V97 HydrophobicContact CB-CG2 4.08Å; C94-V97 PolarHBondContact O-N 3.36Å; C94-V97 WeakPolarHBondContact SG-CG2 3.47Å; C94-W98 PolarHBondContact O-N 3.29Å
95T85.8Confident83Confident17 Ų1752.6 Ų52.610%0.10425%0.253CS..Hα-helixtrans-60.6-46.1-179.2-51.70000111.7S93 V97 W98 Q99 A116S93-T95 PolarHBondContact O-N 2.61Å; T95-V97 VanDerWaalsContact C-N 3.26Å; T95-V97 PolarHBondContact O-N 3.03Å; T95-W98 PolarHBondContact O-N 3.45Å; T95-Q99 HydrophobicContact CG2-CG 4.12Å; T95-Q99 WeakPolarHBondContact O-CB 3.45Å; T95-Q99 WeakPolarHBondContact O-CG 3.29Å; T95-Q99 PolarHBondContact O-N 2.95Å; T95-A116 PolarHBondContact OG1-N 3.28Å
96E83.6Confident82.5Confident123 Ų12344.6 Ų44.658%0.57523%0.227SC*.Hα-helixtrans-58.8-37.6-177.2-66.9-172.717800112.8C94 S100C94-E96 PolarHBondContact O-N 2.94Å; E96-S100 WeakPolarHBondContact O-CB 3.38Å; E96-S100 PolarHBondContact O-N 3.41Å
97V85.8Confident82.2Confident3 Ų341.2 Ų41.22%0.01821%0.209CC..Hα-helixtrans-63.6-53.6177167.30000109.8L69 R70 L77 C94 T95 Q99 S100 V101L69-V97 HydrophobicContact CB-CG2 3.98Å; R70-V97 HydrophobicContact CB-CG2 4.35Å; L77-V97 HydrophobicContact CD1-CG1 3.36Å; L77-V97 HydrophobicContact CD2-CG1 4.17Å; L77-V97 HydrophobicContact CG-CG1 4.41Å; C94-V97 HydrophobicContact CB-CB 4.11Å; C94-V97 HydrophobicContact CB-CG2 4.08Å; C94-V97 PolarHBondContact O-N 3.36Å; C94-V97 WeakPolarHBondContact SG-CG2 3.47Å; T95-V97 VanDerWaalsContact C-N 3.26Å; T95-V97 PolarHBondContact O-N 3.03Å; V97-Q99 VanDerWaalsContact C-N 3.31Å; V97-Q99 PolarHBondContact O-N 3.02Å; V97-S100 WeakPolarHBondContact O-CB 3.5Å; V97-S100 PolarHBondContact O-N 2.98Å; V97-S100 VanDerWaalsContact O-N 3.09Å; V97-V101 WeakPolarHBondContact O-CG2 3.49Å; V97-V101 PolarHBondContact O-N 3.08Å
98W86.4Confident81.6Confident0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-66.7-33-178.6-66.5108.8000112.9L78 I91 C94 T95 V101 C102 W119 K120 Y123L78-W98 HydrophobicContact CD2-CH2 3.89Å; L78-W98 HydrophobicContact CG-CH2 4.45Å; I91-W98 HydrophobicContact CG2-CZ2 3.88Å; I91-W98 PolarHBondContact O-NE1 3Å; C94-W98 PolarHBondContact O-N 3.29Å; T95-W98 PolarHBondContact O-N 3.45Å; W98-V101 PolarHBondContact O-N 3.47Å; W98-C102 PolarHBondContact O-N 3.24Å; W98-C102 PolarHBondContact O-SG 3.06Å; W98-W119 HydrophobicContact CB-CB 3.55Å; W98-K120 HydrophobicContact CD2-CB 3.73Å; W98-K120 HydrophobicContact CD2-CG 4.06Å; W98-K120 HydrophobicContact CE3-CB 4.2Å; W98-K120 HydrophobicContact CE3-CG 4.3Å; W98-K120 HydrophobicContact CG-CB 3.99Å; W98-K120 HydrophobicContact CH2-CD 4.24Å; W98-K120 HydrophobicContact CH2-CG 3.97Å; W98-K120 HydrophobicContact CZ2-CB 4.24Å; W98-K120 HydrophobicContact CZ2-CD 3.58Å; W98-K120 HydrophobicContact CZ2-CG 3.69Å; W98-K120 HydrophobicContact CZ3-CG 4.27Å; W98-Y123 HydrophobicContact CE3-CD1 4.08Å; W98-Y123 HydrophobicContact CE3-CG 4.19Å; W98-Y123 HydrophobicContact CH2-CD1 4.36Å; W98-Y123 AromaticContact CZ3-CD1 3.42Å; W98-Y123 HydrophobicContact CZ3-CD1 3.42Å; W98-Y123 VanDerWaalsContact CZ3-CD1 3.42Å; W98-Y123 AromaticContact CZ3-CE1 3.92Å; W98-Y123 HydrophobicContact CZ3-CE1 3.92Å; W98-Y123 AromaticContact CZ3-CG 3.97Å; W98-Y123 HydrophobicContact CZ3-CG 3.97Å
99Q85.7Confident81.3Confident7 Ų746.4 Ų46.43%0.03323%0.227CC..Hα-helixtrans-64.5-45.2169.2-74.3179.9-16.100111.4T95 V97 V101 C102 R103 I109 I113 W119T95-Q99 HydrophobicContact CG2-CG 4.12Å; T95-Q99 WeakPolarHBondContact O-CB 3.45Å; T95-Q99 WeakPolarHBondContact O-CG 3.29Å; T95-Q99 PolarHBondContact O-N 2.95Å; V97-Q99 VanDerWaalsContact C-N 3.31Å; V97-Q99 PolarHBondContact O-N 3.02Å; Q99-V101 VanDerWaalsContact C-N 3.28Å; Q99-V101 PolarHBondContact O-N 3.36Å; Q99-C102 PolarHBondContact O-N 3.5Å; Q99-R103 WeakPolarHBondContact O-CG 3.28Å; Q99-R103 PolarHBondContact O-N 3.4Å; Q99-I109 HydrophobicContact CB-CD1 3.83Å; Q99-I109 HydrophobicContact CB-CG2 4.26Å; Q99-I109 HydrophobicContact CG-CD1 4.25Å; Q99-I109 HydrophobicContact CG-CG2 3.83Å; Q99-I109 WeakPolarHBondContact O-CD1 3.48Å; Q99-I113 PolarHBondContact NE2-O 3.23Å; Q99-W119 HydrophobicContact CG-CD2 3.99Å; Q99-W119 HydrophobicContact CG-CG 3.94Å
100S83.6Confident80.9Confident24 Ų2443.3 Ų43.317%0.16822%0.217CC..Hα-helixtrans-57.3-44.4176.2-164.30000111.4E96 V97 C102 R103 E104E96-S100 WeakPolarHBondContact O-CB 3.38Å; E96-S100 PolarHBondContact O-N 3.41Å; V97-S100 WeakPolarHBondContact O-CB 3.5Å; V97-S100 PolarHBondContact O-N 2.98Å; V97-S100 VanDerWaalsContact O-N 3.09Å; S100-C102 PolarHBondContact O-N 3.46Å; S100-R103 WeakPolarHBondContact O-CB 3.41Å; S100-R103 PolarHBondContact O-N 2.86Å; S100-E104 WeakPolarHBondContact O-CG 3.49Å; S100-E104 PolarHBondContact O-N 3.38Å
101V83.1Confident80.6Confident5 Ų548.5 Ų48.53%0.0324%0.24CC..Hα-helixtrans-61.5-42.8176.61720000112.1P74 L77 V97 W98 Q99 E104 L105 Y123P74-V101 HydrophobicContact CB-CG1 3.8Å; P74-V101 HydrophobicContact CB-CG2 4.2Å; P74-V101 HydrophobicContact CG-CB 4.18Å; P74-V101 HydrophobicContact CG-CG1 3.5Å; P74-V101 VanDerWaalsContact CG-CG1 3.5Å; P74-V101 HydrophobicContact CG-CG2 3.73Å; L77-V101 HydrophobicContact CD1-CG2 4.2Å; V97-V101 WeakPolarHBondContact O-CG2 3.49Å; V97-V101 PolarHBondContact O-N 3.08Å; W98-V101 PolarHBondContact O-N 3.47Å; Q99-V101 VanDerWaalsContact C-N 3.28Å; Q99-V101 PolarHBondContact O-N 3.36Å; V101-E104 PolarHBondContact O-N 3.33Å; V101-L105 PolarHBondContact O-N 2.98Å; V101-Y123 HydrophobicContact CG1-CD2 3.25Å; V101-Y123 HydrophobicContact CG1-CE2 3.36Å; V101-Y123 HydrophobicContact CG1-CG 3.98Å
102C82.8Confident80.5Confident0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-67.2-35.6176.9-65.60000111.9W98 Q99 S100 L105 G106 W107 I109 W119W98-C102 PolarHBondContact O-N 3.24Å; W98-C102 PolarHBondContact O-SG 3.06Å; Q99-C102 PolarHBondContact O-N 3.5Å; S100-C102 PolarHBondContact O-N 3.46Å; C102-L105 PolarHBondContact O-N 2.96Å; C102-G106 PolarHBondContact O-N 2.96Å; C102-W107 HydrophobicContact CB-CE3 3.68Å; C102-W107 HydrophobicContact CB-CZ3 4.01Å; C102-W107 PolarHBondContact O-N 3.04Å; C102-W107 VanDerWaalsContact SG-CZ3 3.54Å; C102-I109 HydrophobicContact CB-CD1 3.59Å; C102-I109 HydrophobicContact CB-CG1 4.41Å; C102-W119 HydrophobicContact CB-CE3 4.29Å
103R81.8Confident80.4Confident101 Ų10154 Ų5438%0.38127%0.274SS..Hα-helixtrans-64.1-41.6173.1-72.2-178.5-162.1105.5-5.3111.1Q99 S100 L105 G106 I109 E111Q99-R103 WeakPolarHBondContact O-CG 3.28Å; Q99-R103 PolarHBondContact O-N 3.4Å; S100-R103 WeakPolarHBondContact O-CB 3.41Å; S100-R103 PolarHBondContact O-N 2.86Å; R103-L105 PolarHBondContact O-N 3.14Å; R103-G106 WeakPolarHBondContact O-CA 3.5Å; R103-G106 PolarHBondContact O-N 3.34Å; R103-I109 HydrophobicContact CB-CD1 4.36Å; R103-I109 HydrophobicContact CG-CD1 3.46Å; R103-I109 VanDerWaalsContact CG-CD1 3.46Å; R103-I109 HydrophobicContact CG-CG1 3.79Å; R103-E111 IonicContact CZ-OE1 2.8Å; R103-E111 IonicContact NE-OE1 3.38Å; R103-E111 IonicContact NH2-OE1 3.99Å; R103-E111 PolarHBondContact NH2-OE1 3.38Å
104E78.8Confident80.3Confident115 Ų11557.3 Ų57.354%0.53728%0.283SS..Hα-helixtrans-62.6-26.7175.6-75.6172.5-162.300112.5S100 V101 G106 R393S100-E104 WeakPolarHBondContact O-CG 3.49Å; S100-E104 PolarHBondContact O-N 3.38Å; V101-E104 PolarHBondContact O-N 3.33Å; E104-G106 PolarHBondContact O-N 3.46Å; E104-R393 PolarHBondContact O-NH1 3.37Å
105L75.8Confident80.3Confident50 Ų5061 Ų6126%0.26230%0.302SS..THydrogen-bonded Turntrans-79.8-0.9170.8-66.8175.5000113.7V101 C102 R103 W107 Y123 R393V101-L105 PolarHBondContact O-N 2.98Å; C102-L105 PolarHBondContact O-N 2.96Å; R103-L105 PolarHBondContact O-N 3.14Å; L105-W107 HydrophobicContact CB-CD2 4.2Å; L105-W107 HydrophobicContact CB-CG 4.48Å; L105-W107 HydrophobicContact CB-CH2 4.5Å; L105-W107 HydrophobicContact CB-CZ2 3.9Å; L105-W107 HydrophobicContact CD1-CH2 3.49Å; L105-W107 VanDerWaalsContact CD1-CH2 3.49Å; L105-W107 HydrophobicContact CD1-CZ2 3.46Å; L105-W107 VanDerWaalsContact CD1-CZ2 3.46Å; L105-W107 HydrophobicContact CD1-CZ3 4.23Å; L105-W107 HydrophobicContact CG-CZ2 4.31Å; L105-Y123 HydrophobicContact CD1-CD2 3.71Å; L105-Y123 HydrophobicContact CD1-CE2 3.94Å; L105-R393 VanDerWaalsContact CA-NH1 3.33Å; L105-R393 PolarHBondContact O-NH1 3.09Å
106G69.3Low80.2Confident29 Ų2960.4 Ų60.430%0.29930%0.299SS..THydrogen-bonded Turntrans85.412.3176.700000114.3C102 R103 E104C102-G106 PolarHBondContact O-N 2.96Å; R103-G106 WeakPolarHBondContact O-CA 3.5Å; R103-G106 PolarHBondContact O-N 3.34Å; E104-G106 PolarHBondContact O-N 3.46Å
107W74.4Confident80.3Confident27 Ų2757.6 Ų57.610%0.10230%0.297CS..  trans-85.7146-176.2-53.9-15.4000112.2C102 L105 I109 I122 A126 G425 L426C102-W107 HydrophobicContact CB-CE3 3.68Å; C102-W107 HydrophobicContact CB-CZ3 4.01Å; C102-W107 PolarHBondContact O-N 3.04Å; C102-W107 VanDerWaalsContact SG-CZ3 3.54Å; L105-W107 HydrophobicContact CB-CD2 4.2Å; L105-W107 HydrophobicContact CB-CG 4.48Å; L105-W107 HydrophobicContact CB-CH2 4.5Å; L105-W107 HydrophobicContact CB-CZ2 3.9Å; L105-W107 HydrophobicContact CD1-CH2 3.49Å; L105-W107 VanDerWaalsContact CD1-CH2 3.49Å; L105-W107 HydrophobicContact CD1-CZ2 3.46Å; L105-W107 VanDerWaalsContact CD1-CZ2 3.46Å; L105-W107 HydrophobicContact CD1-CZ3 4.23Å; L105-W107 HydrophobicContact CG-CZ2 4.31Å; W107-I109 PolarHBondContact O-N 3.13Å; W107-I122 HydrophobicContact CE3-CG2 3.73Å; W107-I122 HydrophobicContact CH2-CG2 4.06Å; W107-I122 HydrophobicContact CZ3-CB 4.28Å; W107-I122 HydrophobicContact CZ3-CG2 3.25Å; W107-A126 HydrophobicContact CH2-CB 3.08Å; W107-A126 HydrophobicContact CZ2-CB 3.14Å; W107-A126 HydrophobicContact CZ3-CB 4.31Å; W107-G425 VanDerWaalsContact CD1-CA 3.46Å; W107-L426 WeakPolarHBondContact CH2-O 3.46Å; W107-L426 WeakPolarHBondContact CZ2-O 3.23Å
108R68.4Low80.4Confident187 Ų18761.2 Ų61.271%0.70631%0.314SS*.  trans-70.7127.1169-66.3-173.2-176.1-159.53.5109.3E376R108-E376 IonicContact CZ-OE1 3.88Å; R108-E376 IonicContact CZ-OE2 3.63Å; R108-E376 IonicContact NE-OE1 3.1Å; R108-E376 IonicContact NE-OE2 3.64Å; R108-E376 PolarHBondContact NE-OE2 2.95Å; R108-E376 IonicContact NH2-OE1 3.69Å; R108-E376 PolarHBondContact NH2-OE1 2.93Å; R108-E376 IonicContact NH2-OE2 2.74Å
109I76.3Confident80.3Confident32 Ų3261.8 Ų61.816%0.16432%0.316CS..  trans-107.5133-178.6-57.8-150.8000109.3Q99 C102 R103 W107 E111 W119Q99-I109 HydrophobicContact CB-CD1 3.83Å; Q99-I109 HydrophobicContact CB-CG2 4.26Å; Q99-I109 HydrophobicContact CG-CD1 4.25Å; Q99-I109 HydrophobicContact CG-CG2 3.83Å; Q99-I109 WeakPolarHBondContact O-CD1 3.48Å; C102-I109 HydrophobicContact CB-CD1 3.59Å; C102-I109 HydrophobicContact CB-CG1 4.41Å; R103-I109 HydrophobicContact CB-CD1 4.36Å; R103-I109 HydrophobicContact CG-CD1 3.46Å; R103-I109 VanDerWaalsContact CG-CD1 3.46Å; R103-I109 HydrophobicContact CG-CG1 3.79Å; W107-I109 PolarHBondContact O-N 3.13Å; I109-E111 HydrophobicContact CG2-CG 4.49Å; I109-E111 PolarHBondContact O-N 2.83Å; I109-W119 HydrophobicContact CB-CH2 4.18Å; I109-W119 HydrophobicContact CD1-CZ3 4.41Å; I109-W119 HydrophobicContact CG1-CH2 4.43Å; I109-W119 HydrophobicContact CG1-CZ3 4.36Å; I109-W119 HydrophobicContact CG2-CH2 3.66Å; I109-W119 HydrophobicContact CG2-CZ2 3.6Å; I109-W119 HydrophobicContact CG2-CZ3 4.25Å
110D76.5Confident80.3Confident83 Ų8362.7 Ų62.744%0.44432%0.32SS..  trans-85.6102164.9-173.4-9.6000109.3S112 I113 W119D110-S112 PolarHBondContact O-N 3.13Å; D110-S112 WeakPolarHBondContact OD1-CB 3.31Å; D110-S112 PolarHBondContact OD1-N 2.99Å; D110-S112 PolarHBondContact OD1-OG 3.48Å; D110-S112 PolarHBondContact OD2-OG 3.18Å; D110-S112 VanDerWaalsContact OD2-OG 3.13Å; D110-I113 HydrophobicContact CB-CD1 3.91Å; D110-I113 HydrophobicContact CB-CG1 4.04Å; D110-I113 PolarHBondContact O-N 2.96Å; D110-I113 VanDerWaalsContact O-N 3.1Å; D110-W119 WeakPolarHBondContact O-CZ2 3.49Å
111E77Confident80.4Confident121 Ų12163 Ų6357%0.56533%0.326SS*.THydrogen-bonded Turntrans-67.1-12.8-179.2-58-165152.200113R103 I109 I113 Q114R103-E111 IonicContact CZ-OE1 2.8Å; R103-E111 IonicContact NE-OE1 3.38Å; R103-E111 IonicContact NH2-OE1 3.99Å; R103-E111 PolarHBondContact NH2-OE1 3.38Å; I109-E111 HydrophobicContact CG2-CG 4.49Å; I109-E111 PolarHBondContact O-N 2.83Å; E111-I113 VanDerWaalsContact C-N 3.26Å; E111-I113 PolarHBondContact O-N 3.16Å; E111-Q114 PolarHBondContact O-NE2 3.09Å
112S81.4Confident80.6Confident92 Ų9263.7 Ų63.764%0.64333%0.33SS*.THydrogen-bonded Turntrans-70.1-23.8172.577.90000112.6D110 Q114D110-S112 PolarHBondContact O-N 3.13Å; D110-S112 WeakPolarHBondContact OD1-CB 3.31Å; D110-S112 PolarHBondContact OD1-N 2.99Å; D110-S112 PolarHBondContact OD1-OG 3.48Å; D110-S112 PolarHBondContact OD2-OG 3.18Å; D110-S112 VanDerWaalsContact OD2-OG 3.13Å; S112-Q114 PolarHBondContact O-N 3.45Å; S112-Q114 VanDerWaalsContact O-N 3.13Å
113I82.5Confident80.7Confident55 Ų5564.4 Ų64.428%0.28233%0.333SS..  trans-82.794.7-179.8-54.8177.2000109.8Q99 D110 E111 D115 W119Q99-I113 PolarHBondContact NE2-O 3.23Å; D110-I113 HydrophobicContact CB-CD1 3.91Å; D110-I113 HydrophobicContact CB-CG1 4.04Å; D110-I113 PolarHBondContact O-N 2.96Å; D110-I113 VanDerWaalsContact O-N 3.1Å; E111-I113 VanDerWaalsContact C-N 3.26Å; E111-I113 PolarHBondContact O-N 3.16Å; I113-D115 VanDerWaalsContact C-N 3.27Å; I113-D115 HydrophobicContact CG2-CB 4.19Å; I113-D115 PolarHBondContact O-N 2.79Å; I113-W119 HydrophobicContact CB-CZ2 4.08Å; I113-W119 HydrophobicContact CD1-CZ2 4.37Å; I113-W119 PolarHBondContact O-NE1 3.31Å
114Q82.6Confident80.9Confident130 Ų13063.3 Ų63.361%0.60733%0.334SS*.  trans-89.847.6177.3-64.6-63-38.300112.7E111 S112E111-Q114 PolarHBondContact O-NE2 3.09Å; S112-Q114 PolarHBondContact O-N 3.45Å; S112-Q114 VanDerWaalsContact O-N 3.13Å
115D85.5Confident81.3Confident79 Ų7963.3 Ų63.342%0.42233%0.332SS..  trans-121.9104.1178.9-177.6-1.8000111.6I113 A117 H118 W119I113-D115 VanDerWaalsContact C-N 3.27Å; I113-D115 HydrophobicContact CG2-CB 4.19Å; I113-D115 PolarHBondContact O-N 2.79Å; D115-A117 VanDerWaalsContact C-N 3.32Å; D115-A117 PolarHBondContact O-N 3.28Å; D115-A117 WeakPolarHBondContact OD1-CB 3.35Å; D115-A117 PolarHBondContact OD1-N 3.06Å; D115-H118 HydrophobicContact CB-CB 3.87Å; D115-H118 WeakPolarHBondContact O-CB 3.41Å; D115-H118 PolarHBondContact O-N 3.03Å; D115-H118 PolarHBondContact OD1-N 3.24Å; D115-W119 PolarHBondContact O-N 2.94Å
116A83.6Confident81.8Confident6 Ų661 Ų615%0.0532%0.32CS..Hα-helixtrans-64.4-32.9178.800000113.5S92 T95 H118 K120S92-A116 WeakPolarHBondContact O-CB 3.34Å; T95-A116 PolarHBondContact OG1-N 3.28Å; A116-H118 VanDerWaalsContact C-N 3.35Å; A116-K120 VanDerWaalsContact O-CB 3.23Å; A116-K120 WeakPolarHBondContact O-CB 3.27Å; A116-K120 PolarHBondContact O-N 3.14Å
117A85.5Confident82.6Confident64 Ų6461.9 Ų61.953%0.52932%0.315SS..Hα-helixtrans-69.6-37.7179.900000110.9D115 G121D115-A117 VanDerWaalsContact C-N 3.32Å; D115-A117 PolarHBondContact O-N 3.28Å; D115-A117 WeakPolarHBondContact OD1-CB 3.35Å; D115-A117 PolarHBondContact OD1-N 3.06Å; A117-G121 PolarHBondContact O-N 3.26Å
118H87.1Confident83.2Confident78 Ų7863.9 Ų63.936%0.36133%0.328SS..Hα-helixtrans-57.8-56.9171.6174.680000111.6D115 A116 K120 G121 I122D115-H118 HydrophobicContact CB-CB 3.87Å; D115-H118 WeakPolarHBondContact O-CB 3.41Å; D115-H118 PolarHBondContact O-N 3.03Å; D115-H118 PolarHBondContact OD1-N 3.24Å; A116-H118 VanDerWaalsContact C-N 3.35Å; H118-K120 PolarHBondContact O-N 2.79Å; H118-G121 WeakPolarHBondContact O-CA 3.48Å; H118-G121 PolarHBondContact O-N 2.74Å; H118-I122 VanDerWaalsContact NE2-CD1 3.27Å; H118-I122 WeakPolarHBondContact NE2-CD1 3.36Å; H118-I122 WeakPolarHBondContact O-CG1 3.47Å; H118-I122 PolarHBondContact O-N 3.2Å
119W85.5Confident84.1Confident12 Ų1256.5 Ų56.55%0.04530%0.3CS..Hα-helixtrans-63.6-38.7-178.6-68.4112.1000113.1W98 Q99 C102 I109 D110 I113 D115 G121 I122 Y123W98-W119 HydrophobicContact CB-CB 3.55Å; Q99-W119 HydrophobicContact CG-CD2 3.99Å; Q99-W119 HydrophobicContact CG-CG 3.94Å; C102-W119 HydrophobicContact CB-CE3 4.29Å; I109-W119 HydrophobicContact CB-CH2 4.18Å; I109-W119 HydrophobicContact CD1-CZ3 4.41Å; I109-W119 HydrophobicContact CG1-CH2 4.43Å; I109-W119 HydrophobicContact CG1-CZ3 4.36Å; I109-W119 HydrophobicContact CG2-CH2 3.66Å; I109-W119 HydrophobicContact CG2-CZ2 3.6Å; I109-W119 HydrophobicContact CG2-CZ3 4.25Å; D110-W119 WeakPolarHBondContact O-CZ2 3.49Å; I113-W119 HydrophobicContact CB-CZ2 4.08Å; I113-W119 HydrophobicContact CD1-CZ2 4.37Å; I113-W119 PolarHBondContact O-NE1 3.31Å; D115-W119 PolarHBondContact O-N 2.94Å; W119-G121 VanDerWaalsContact C-N 3.3Å; W119-G121 PolarHBondContact O-N 3.21Å; W119-I122 HydrophobicContact CE3-CD1 3.91Å; W119-I122 HydrophobicContact CZ3-CD1 3.91Å; W119-I122 PolarHBondContact O-N 3.24Å; W119-Y123 WeakPolarHBondContact O-CB 2.85Å; W119-Y123 PolarHBondContact O-N 2.95Å
120K85.8Confident84.7Confident27 Ų2756.8 Ų56.812%0.11730%0.301CS..Hα-helixtrans-60.6-41171.8-178.4173.1177169.50111.5N88 S92 W98 A116 H118 Y123 L124N88-K120 PolarHBondContact OD1-NZ 2.96Å; S92-K120 PolarHBondContact OG-NZ 3.25Å; W98-K120 HydrophobicContact CD2-CB 3.73Å; W98-K120 HydrophobicContact CD2-CG 4.06Å; W98-K120 HydrophobicContact CE3-CB 4.2Å; W98-K120 HydrophobicContact CE3-CG 4.3Å; W98-K120 HydrophobicContact CG-CB 3.99Å; W98-K120 HydrophobicContact CH2-CD 4.24Å; W98-K120 HydrophobicContact CH2-CG 3.97Å; W98-K120 HydrophobicContact CZ2-CB 4.24Å; W98-K120 HydrophobicContact CZ2-CD 3.58Å; W98-K120 HydrophobicContact CZ2-CG 3.69Å; W98-K120 HydrophobicContact CZ3-CG 4.27Å; A116-K120 VanDerWaalsContact O-CB 3.23Å; A116-K120 WeakPolarHBondContact O-CB 3.27Å; A116-K120 PolarHBondContact O-N 3.14Å; H118-K120 PolarHBondContact O-N 2.79Å; K120-Y123 PolarHBondContact O-N 2.82Å; K120-L124 HydrophobicContact CG-CD1 4.13Å; K120-L124 WeakPolarHBondContact O-CB 3.25Å; K120-L124 VanDerWaalsContact O-CG 3.28Å; K120-L124 WeakPolarHBondContact O-CG 3.47Å; K120-L124 PolarHBondContact O-N 2.94Å
121G85.8Confident85.3Confident29 Ų2957.6 Ų57.630%0.29930%0.303SS..Hα-helixtrans-61-48.5175.900000112.4A117 H118 W119 Y123 L124 K125A117-G121 PolarHBondContact O-N 3.26Å; H118-G121 WeakPolarHBondContact O-CA 3.48Å; H118-G121 PolarHBondContact O-N 2.74Å; W119-G121 VanDerWaalsContact C-N 3.3Å; W119-G121 PolarHBondContact O-N 3.21Å; G121-Y123 PolarHBondContact O-N 3.2Å; G121-L124 PolarHBondContact O-N 3.16Å; G121-K125 WeakPolarHBondContact O-CG 3.48Å; G121-K125 PolarHBondContact O-N 2.98Å
122I85.9Confident85.9Confident21 Ų2152.6 Ų52.611%0.10828%0.28CS..Hα-helixtrans-58.4-49.5176.1-62.2177.9000110.2W107 H118 W119 L124 K125 A126 D427W107-I122 HydrophobicContact CE3-CG2 3.73Å; W107-I122 HydrophobicContact CH2-CG2 4.06Å; W107-I122 HydrophobicContact CZ3-CB 4.28Å; W107-I122 HydrophobicContact CZ3-CG2 3.25Å; H118-I122 VanDerWaalsContact NE2-CD1 3.27Å; H118-I122 WeakPolarHBondContact NE2-CD1 3.36Å; H118-I122 WeakPolarHBondContact O-CG1 3.47Å; H118-I122 PolarHBondContact O-N 3.2Å; W119-I122 HydrophobicContact CE3-CD1 3.91Å; W119-I122 HydrophobicContact CZ3-CD1 3.91Å; W119-I122 PolarHBondContact O-N 3.24Å; I122-L124 VanDerWaalsContact C-N 3.35Å; I122-L124 PolarHBondContact O-N 3.45Å; I122-K125 PolarHBondContact O-N 3.34Å; I122-A126 PolarHBondContact O-N 2.93Å; I122-D427 HydrophobicContact CG2-CB 4.1Å
123Y86.2Confident86.4Confident15 Ų1548.4 Ų48.46%0.05925%0.251CS..Hα-helixtrans-55.7-47.8178.1171.9-101.6000112.6P74 L78 W98 V101 L105 W119 K120 G121 A126 K127P74-Y123 HydrophobicContact CB-CE1 4.28Å; P74-Y123 HydrophobicContact CB-CE2 3.86Å; P74-Y123 VanDerWaalsContact CB-CZ 3.5Å; P74-Y123 WeakPolarHBondContact CB-OH 3.47Å; P74-Y123 HydrophobicContact CG-CE2 4.42Å; L78-Y123 HydrophobicContact CD1-CE1 3.87Å; L78-Y123 HydrophobicContact CG-CE1 4.3Å; W98-Y123 HydrophobicContact CE3-CD1 4.08Å; W98-Y123 HydrophobicContact CE3-CG 4.19Å; W98-Y123 HydrophobicContact CH2-CD1 4.36Å; W98-Y123 AromaticContact CZ3-CD1 3.42Å; W98-Y123 HydrophobicContact CZ3-CD1 3.42Å; W98-Y123 VanDerWaalsContact CZ3-CD1 3.42Å; W98-Y123 AromaticContact CZ3-CE1 3.92Å; W98-Y123 HydrophobicContact CZ3-CE1 3.92Å; W98-Y123 AromaticContact CZ3-CG 3.97Å; W98-Y123 HydrophobicContact CZ3-CG 3.97Å; V101-Y123 HydrophobicContact CG1-CD2 3.25Å; V101-Y123 HydrophobicContact CG1-CE2 3.36Å; V101-Y123 HydrophobicContact CG1-CG 3.98Å; L105-Y123 HydrophobicContact CD1-CD2 3.71Å; L105-Y123 HydrophobicContact CD1-CE2 3.94Å; W119-Y123 WeakPolarHBondContact O-CB 2.85Å; W119-Y123 PolarHBondContact O-N 2.95Å; K120-Y123 PolarHBondContact O-N 2.82Å; G121-Y123 PolarHBondContact O-N 3.2Å; Y123-A126 PolarHBondContact O-N 3.46Å; Y123-K127 HydrophobicContact CE1-CD 4.27Å; Y123-K127 WeakPolarHBondContact O-CB 3.44Å; Y123-K127 PolarHBondContact O-N 3.15Å
124L85.4Confident86.7Confident77 Ų7752.4 Ų52.440%0.40327%0.266SS..Hα-helixtrans-62.9-43.3179.8-73.6173000112L78 K120 G121 I122 K127 L128L78-L124 HydrophobicContact CD1-CD2 4.21Å; L78-L124 HydrophobicContact CD2-CD2 3.87Å; K120-L124 HydrophobicContact CG-CD1 4.13Å; K120-L124 WeakPolarHBondContact O-CB 3.25Å; K120-L124 VanDerWaalsContact O-CG 3.28Å; K120-L124 WeakPolarHBondContact O-CG 3.47Å; K120-L124 PolarHBondContact O-N 2.94Å; G121-L124 PolarHBondContact O-N 3.16Å; I122-L124 VanDerWaalsContact C-N 3.35Å; I122-L124 PolarHBondContact O-N 3.45Å; L124-K127 PolarHBondContact O-N 3.43Å; L124-L128 WeakPolarHBondContact O-CB 3.46Å; L124-L128 PolarHBondContact O-N 3.25Å
125K86.5Confident87.1Confident115 Ų11551.2 Ų51.250%0.526%0.264SS..Hα-helixtrans-60.1-48.2176.4-74-175.7-177.6-175.30111.4G121 I122 K127 L128 R129G121-K125 WeakPolarHBondContact O-CG 3.48Å; G121-K125 PolarHBondContact O-N 2.98Å; I122-K125 PolarHBondContact O-N 3.34Å; K125-K127 PolarHBondContact O-N 2.81Å; K125-L128 WeakPolarHBondContact O-CB 3.18Å; K125-L128 PolarHBondContact O-N 2.94Å; K125-R129 WeakPolarHBondContact O-CG 3.38Å; K125-R129 PolarHBondContact O-N 3.48Å
126A86Confident87.4Confident1 Ų151 Ų511%0.00826%0.26CS..Hα-helixtrans-67.4-37.8-179.600000112.8W107 I122 Y123 L128 R129 M130 L426W107-A126 HydrophobicContact CH2-CB 3.08Å; W107-A126 HydrophobicContact CZ2-CB 3.14Å; W107-A126 HydrophobicContact CZ3-CB 4.31Å; I122-A126 PolarHBondContact O-N 2.93Å; Y123-A126 PolarHBondContact O-N 3.46Å; A126-L128 VanDerWaalsContact C-N 3.28Å; A126-L128 PolarHBondContact O-N 3.14Å; A126-R129 PolarHBondContact O-N 2.57Å; A126-M130 WeakPolarHBondContact O-CB 3.41Å; A126-M130 WeakPolarHBondContact O-CG 3.3Å; A126-M130 PolarHBondContact O-N 3.08Å; A126-L426 HydrophobicContact CB-CB 3.88Å; A126-L426 VanDerWaalsContact CB-O 3.27Å; A126-L426 WeakPolarHBondContact CB-O 3.26Å
127K86.1Confident87.7Confident48 Ų4856.1 Ų56.121%0.20928%0.283CS..Hα-helixtrans-58.4-45.7174.5-174.9177.4-173.8167.10110.3L78 Y123 L124 K125 M130 M131L78-K127 HydrophobicContact CD1-CD 4.25Å; Y123-K127 HydrophobicContact CE1-CD 4.27Å; Y123-K127 WeakPolarHBondContact O-CB 3.44Å; Y123-K127 PolarHBondContact O-N 3.15Å; L124-K127 PolarHBondContact O-N 3.43Å; K125-K127 PolarHBondContact O-N 2.81Å; K127-M130 PolarHBondContact O-N 2.91Å; K127-M131 HydrophobicContact CG-SD 4.35Å; K127-M131 VanDerWaalsContact O-CG 3.3Å; K127-M131 WeakPolarHBondContact O-CG 3.44Å; K127-M131 PolarHBondContact O-N 3.4Å
128L87.2Confident88Confident70 Ų7053.1 Ų53.137%0.36626%0.258SS..Hα-helixtrans-59.4-46.7175.3-178.664.6000111.4L124 K125 A126 M130 M131 Q132 G454L124-L128 WeakPolarHBondContact O-CB 3.46Å; L124-L128 PolarHBondContact O-N 3.25Å; K125-L128 WeakPolarHBondContact O-CB 3.18Å; K125-L128 PolarHBondContact O-N 2.94Å; A126-L128 VanDerWaalsContact C-N 3.28Å; A126-L128 PolarHBondContact O-N 3.14Å; L128-M130 PolarHBondContact O-N 2.93Å; L128-M131 WeakPolarHBondContact O-CB 3.2Å; L128-M131 PolarHBondContact O-N 3.19Å; L128-M131 VanDerWaalsContact O-N 3.16Å; L128-Q132 WeakPolarHBondContact O-CG 3.4Å; L128-Q132 PolarHBondContact O-N 3.19Å; L128-G454 VanDerWaalsContact CD2-O 3.29Å; L128-G454 WeakPolarHBondContact CD2-O 3.3Å
129R87.9Confident88.2Confident32 Ų3249.9 Ų49.912%0.12124%0.243CC..Hα-helixtrans-61.1-41.8176.4-71.1-53.3-162.7-173.35.1113.4K125 A126 M131 Q132 L133 L426 D431 K451K125-R129 WeakPolarHBondContact O-CG 3.38Å; K125-R129 PolarHBondContact O-N 3.48Å; A126-R129 PolarHBondContact O-N 2.57Å; R129-M131 VanDerWaalsContact C-N 3.3Å; R129-M131 PolarHBondContact O-N 3.21Å; R129-Q132 VanDerWaalsContact CD-OE1 3.22Å; R129-Q132 PolarHBondContact O-N 3.19Å; R129-L133 WeakPolarHBondContact O-CB 3.41Å; R129-L133 WeakPolarHBondContact O-CG 3.27Å; R129-L133 PolarHBondContact O-N 3.17Å; R129-L426 HydrophobicContact CB-CD1 4.03Å; R129-D431 WeakPolarHBondContact CD-OD2 3.32Å; R129-D431 VanDerWaalsContact CG-OD2 3.25Å; R129-D431 WeakPolarHBondContact CG-OD2 3.31Å; R129-D431 IonicContact CZ-OD2 2.9Å; R129-D431 IonicContact NE-OD2 3.72Å; R129-D431 PolarHBondContact NE-OD2 3.47Å; R129-D431 IonicContact NH2-OD2 2.79Å; R129-K451 PolarHBondContact NH1-O 3.07Å; R129-K451 PolarHBondContact NH2-O 3.16Å
130M88.3Confident88.5Confident37 Ų3753.4 Ų53.418%0.18226%0.26CS..Hα-helixtrans-63.2-37.2175.4-67.9-82.379.900111.8A126 K127 L128 L133 K134 F378 L426A126-M130 WeakPolarHBondContact O-CB 3.41Å; A126-M130 WeakPolarHBondContact O-CG 3.3Å; A126-M130 PolarHBondContact O-N 3.08Å; K127-M130 PolarHBondContact O-N 2.91Å; L128-M130 PolarHBondContact O-N 2.93Å; M130-L133 HydrophobicContact CE-CD1 3.25Å; M130-L133 HydrophobicContact CE-CG 4.5Å; M130-K134 WeakPolarHBondContact O-CG 3.11Å; M130-K134 PolarHBondContact O-N 3.34Å; M130-F378 HydrophobicContact CE-CE1 3.95Å; M130-F378 HydrophobicContact CE-CE2 4.38Å; M130-F378 HydrophobicContact CE-CZ 3.63Å; M130-F378 HydrophobicContact SD-CE1 4.05Å; M130-F378 HydrophobicContact SD-CZ 3.66Å; M130-L426 HydrophobicContact CE-CD1 3.27Å; M130-L426 HydrophobicContact CG-CD1 4.09Å; M130-L426 HydrophobicContact SD-CD1 4.09Å
131M89.1Confident88.9Confident100 Ų10055.8 Ų55.849%0.49328%0.277SS..Hα-helixtrans-66.5-48.3173.6-67.5176.29800110.8K127 L128 R129 L133 K134 D135K127-M131 HydrophobicContact CG-SD 4.35Å; K127-M131 VanDerWaalsContact O-CG 3.3Å; K127-M131 WeakPolarHBondContact O-CG 3.44Å; K127-M131 PolarHBondContact O-N 3.4Å; L128-M131 WeakPolarHBondContact O-CB 3.2Å; L128-M131 PolarHBondContact O-N 3.19Å; L128-M131 VanDerWaalsContact O-N 3.16Å; R129-M131 VanDerWaalsContact C-N 3.3Å; R129-M131 PolarHBondContact O-N 3.21Å; M131-L133 VanDerWaalsContact C-N 3.27Å; M131-L133 PolarHBondContact O-N 3.34Å; M131-K134 WeakPolarHBondContact O-CB 3.18Å; M131-K134 PolarHBondContact O-N 2.88Å; M131-D135 WeakPolarHBondContact O-CB 3.2Å; M131-D135 PolarHBondContact O-N 3.43Å
132Q90.8Very high89.3Confident16 Ų1656.5 Ų56.58%0.07528%0.277CS..Hα-helixtrans-59-35.9176.5-70170.7-5.200113.1L128 R129 D135 Q136 E137 A138L128-Q132 WeakPolarHBondContact O-CG 3.4Å; L128-Q132 PolarHBondContact O-N 3.19Å; R129-Q132 VanDerWaalsContact CD-OE1 3.22Å; R129-Q132 PolarHBondContact O-N 3.19Å; Q132-D135 PolarHBondContact O-N 3.46Å; Q132-Q136 PolarHBondContact O-N 3.17Å; Q132-E137 PolarHBondContact O-N 3.39Å; Q132-A138 HydrophobicContact CB-CB 3.86Å; Q132-A138 PolarHBondContact O-N 2.77Å
133L90.8Very high89.6Confident5 Ų558.8 Ų58.83%0.02630%0.295CS..Hα-helixtrans-67.4-38175.6-80.2167.9000112.2R129 M130 M131 A138 F139 V389 G399 L426 W450R129-L133 WeakPolarHBondContact O-CB 3.41Å; R129-L133 WeakPolarHBondContact O-CG 3.27Å; R129-L133 PolarHBondContact O-N 3.17Å; M130-L133 HydrophobicContact CE-CD1 3.25Å; M130-L133 HydrophobicContact CE-CG 4.5Å; M131-L133 VanDerWaalsContact C-N 3.27Å; M131-L133 PolarHBondContact O-N 3.34Å; L133-A138 HydrophobicContact CB-CB 4.46Å; L133-A138 HydrophobicContact CD2-CB 3.65Å; L133-A138 HydrophobicContact CG-CB 3.76Å; L133-F139 HydrophobicContact CD2-CE1 3.95Å; L133-F139 HydrophobicContact CD2-CE2 3.91Å; L133-F139 HydrophobicContact CD2-CZ 3.4Å; L133-V389 HydrophobicContact CD2-CG2 4Å; L133-G399 WeakPolarHBondContact O-CA 3.48Å; L133-L426 HydrophobicContact CD1-CD1 4.41Å; L133-W450 HydrophobicContact CD1-CH2 4.19Å; L133-W450 HydrophobicContact CD2-CH2 4.39Å; L133-W450 HydrophobicContact CG-CH2 4.46Å
134K90.4Very high90.1Very high138 Ų13858.2 Ų58.260%0.629%0.293SS*.Hα-helixtrans-67.4-41.5174.5-73.8174.1-179.5-175.10111.6M130 M131 Q136 S398M130-K134 WeakPolarHBondContact O-CG 3.11Å; M130-K134 PolarHBondContact O-N 3.34Å; M131-K134 WeakPolarHBondContact O-CB 3.18Å; M131-K134 PolarHBondContact O-N 2.88Å; K134-Q136 VanDerWaalsContact C-N 3.27Å; K134-Q136 PolarHBondContact O-N 2.92Å; K134-S398 WeakPolarHBondContact CG-O 3.27Å
135D90.9Very high90.6Very high106 Ų10660.9 Ų60.957%0.56731%0.307SS*.Hα-helixtrans-83.6-2.1-175.4-62.9-24.4000113.1M131 Q132 E137M131-D135 WeakPolarHBondContact O-CB 3.2Å; M131-D135 PolarHBondContact O-N 3.43Å; Q132-D135 PolarHBondContact O-N 3.46Å; D135-E137 VanDerWaalsContact C-N 3.33Å; D135-E137 HydrophobicContact CB-CG 4.29Å
136Q90.2Very high90.9Very high74 Ų7457.3 Ų57.335%0.34630%0.302SS..THydrogen-bonded Turntrans60.842-177.6-39.5-179.322.400112.1Q132 K134 R400 W401Q132-Q136 PolarHBondContact O-N 3.17Å; K134-Q136 VanDerWaalsContact C-N 3.27Å; K134-Q136 PolarHBondContact O-N 2.92Å; Q136-R400 VanDerWaalsContact CG-O 3.31Å; Q136-R400 WeakPolarHBondContact CG-O 2.87Å; Q136-W401 VanDerWaalsContact C-CZ3 3.4Å; Q136-W401 HydrophobicContact CB-CE3 4.25Å; Q136-W401 HydrophobicContact CB-CZ3 4.33Å; Q136-W401 WeakPolarHBondContact O-CZ3 3.18Å
137E90.8Very high91.3Very high113 Ų11358 Ų5853%0.52831%0.305SS..  trans-122.6-1.3178.2-60.2-166.5159.900113.2Q132 D135 F139 K451Q132-E137 PolarHBondContact O-N 3.39Å; D135-E137 VanDerWaalsContact C-N 3.33Å; D135-E137 HydrophobicContact CB-CG 4.29Å; E137-F139 VanDerWaalsContact C-N 3.29Å; E137-F139 PolarHBondContact O-N 3.43Å; E137-K451 WeakPolarHBondContact O-CD 3.49Å
138A90.6Very high91.8Very high1 Ų160.4 Ų60.41%0.00833%0.328CS..SBendtrans-69.4-26.5-17700000113.8Q132 L133 W450 K451Q132-A138 HydrophobicContact CB-CB 3.86Å; Q132-A138 PolarHBondContact O-N 2.77Å; L133-A138 HydrophobicContact CB-CB 4.46Å; L133-A138 HydrophobicContact CD2-CB 3.65Å; L133-A138 HydrophobicContact CG-CB 3.76Å; A138-W450 HydrophobicContact CB-CE3 4.43Å; A138-W450 HydrophobicContact CB-CZ3 3.95Å; A138-K451 WeakPolarHBondContact O-CB 3.18Å; A138-K451 PolarHBondContact O-N 3.27Å
139F92.4Very high92.1Very high11 Ų1158.2 Ų58.25%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-116.2158-172-51.6-39.5000112.3L133 E137 L387 W401 V435 V448 L449 W450L133-F139 HydrophobicContact CD2-CE1 3.95Å; L133-F139 HydrophobicContact CD2-CE2 3.91Å; L133-F139 HydrophobicContact CD2-CZ 3.4Å; E137-F139 VanDerWaalsContact C-N 3.29Å; E137-F139 PolarHBondContact O-N 3.43Å; F139-L387 HydrophobicContact CE2-CD2 4.24Å; F139-W401 HydrophobicContact CB-CD2 4.03Å; F139-W401 HydrophobicContact CB-CE3 3.91Å; F139-W401 HydrophobicContact CB-CH2 3.94Å; F139-W401 HydrophobicContact CB-CZ2 4.06Å; F139-W401 HydrophobicContact CB-CZ3 3.82Å; F139-W401 HydrophobicContact CD2-CB 4.02Å; F139-W401 AromaticContact CD2-CD2 3.71Å; F139-W401 HydrophobicContact CD2-CD2 3.71Å; F139-W401 AromaticContact CD2-CE3 3.68Å; F139-W401 HydrophobicContact CD2-CE3 3.68Å; F139-W401 AromaticContact CD2-CG 3.83Å; F139-W401 HydrophobicContact CD2-CG 3.83Å; F139-W401 HydrophobicContact CD2-CZ3 4.39Å; F139-W401 HydrophobicContact CE2-CB 4.29Å; F139-W401 HydrophobicContact CG-CD2 4.36Å; F139-W401 HydrophobicContact CG-CE3 4.18Å; F139-W401 HydrophobicContact CG-CZ3 4.47Å; F139-W401 WeakPolarHBondContact O-CH2 3.47Å; F139-V435 HydrophobicContact CD1-CG2 3.74Å; F139-V435 HydrophobicContact CE1-CG1 4.28Å; F139-V435 HydrophobicContact CE1-CG2 3.63Å; F139-V435 HydrophobicContact CZ-CG1 4.11Å; F139-V435 HydrophobicContact CZ-CG2 4.3Å; F139-V448 HydrophobicContact CB-CG1 3.58Å; F139-V448 HydrophobicContact CD2-CG1 4Å; F139-V448 HydrophobicContact CG-CG1 3.85Å; F139-L449 CarbonylContact C-O 3.53Å; F139-L449 WeakPolarHBondContact CA-O 3.2Å; F139-L449 WeakPolarHBondContact CB-O 3.48Å; F139-W450 HydrophobicContact CD1-CD2 4.2Å; F139-W450 HydrophobicContact CD1-CE3 4.03Å; F139-W450 HydrophobicContact CD1-CZ3 4.34Å; F139-W450 AromaticContact CE1-CD2 3.91Å; F139-W450 HydrophobicContact CE1-CD2 3.91Å; F139-W450 AromaticContact CE1-CE2 3.94Å; F139-W450 AromaticContact CE1-CE3 3.8Å; F139-W450 HydrophobicContact CE1-CE3 3.8Å; F139-W450 AromaticContact CE1-CH2 3.84Å; F139-W450 HydrophobicContact CE1-CH2 3.84Å; F139-W450 AromaticContact CE1-CZ2 3.92Å; F139-W450 HydrophobicContact CE1-CZ2 3.92Å; F139-W450 AromaticContact CE1-CZ3 3.78Å; F139-W450 HydrophobicContact CE1-CZ3 3.78Å
140E92.5Very high92.3Very high86 Ų8659 Ų5940%0.40232%0.323SS..EExtended strand (participates in β ladder)trans-128.8162.6167.565.3-177-159.200109.3V448 L449E140-V448 WeakPolarHBondContact O-CA 3.49Å; E140-L449 HydrophobicContact CG-CB 3.91Å; E140-L449 PolarHBondContact N-O 2.6Å; E140-L449 PolarHBondContact O-N 3.14Å
141T92.9Very high92.6Very high77 Ų7757.4 Ų57.447%0.47232%0.315SS..EExtended strand (participates in β ladder)trans-123.6139.8-175.667.20000111.5W401 L447 V448T141-W401 HydrophobicContact CG2-CZ2 4.22Å; T141-L447 CarbonylContact C-O 3.48Å; T141-L447 VanDerWaalsContact CA-O 3.25Å; T141-L447 WeakPolarHBondContact CA-O 3.42Å; T141-V448 HydrophobicContact CG2-CG2 4.09Å
142S93.6Very high92.7Very high43 Ų4354 Ų5430%0.30130%0.297SS..EExtended strand (participates in β ladder)trans-134.2168171.4670000110.6L447 L449S142-L447 PolarHBondContact N-O 2.92Å; S142-L447 PolarHBondContact O-N 3.33Å; S142-L447 WeakPolarHBondContact OG-CB 3.45Å; S142-L447 WeakPolarHBondContact OG-CD1 3.43Å; S142-L449 WeakPolarHBondContact OG-CD1 3.49Å
143S94.1Very high92.8Very high70 Ų7053.4 Ų53.449%0.4930%0.295SS..EExtended strand (participates in β ladder)trans-131.9140.6178.359.90000111.8I445S143-I445 CarbonylContact C-O 3.55Å; S143-I445 VanDerWaalsContact CA-O 3.25Å; S143-I445 WeakPolarHBondContact CA-O 3.31Å
144L95.8Very high93Very high3 Ų354 Ų542%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-106.5128171.3-50.5175.8000108.8L161 W173 S444 I445 L447L144-L161 HydrophobicContact CD1-CD2 3.97Å; L144-W173 HydrophobicContact CB-CD2 4.28Å; L144-W173 HydrophobicContact CB-CE3 4.05Å; L144-W173 HydrophobicContact CB-CH2 4.38Å; L144-W173 HydrophobicContact CB-CZ3 4.11Å; L144-W173 HydrophobicContact CD1-CB 3.75Å; L144-W173 HydrophobicContact CD1-CD2 3.81Å; L144-W173 HydrophobicContact CD1-CE3 4.12Å; L144-W173 HydrophobicContact CD1-CG 3.65Å; L144-W173 HydrophobicContact CD2-CE3 4.27Å; L144-W173 HydrophobicContact CG-CE3 4.39Å; L144-S444 WeakPolarHBondContact O-CA 3.44Å; L144-S444 WeakPolarHBondContact O-CB 3.24Å; L144-I445 HydrophobicContact CB-CB 4.16Å; L144-I445 HydrophobicContact CB-CD1 3.97Å; L144-I445 HydrophobicContact CD1-CD1 4.45Å; L144-I445 PolarHBondContact N-O 2.86Å; L144-I445 PolarHBondContact O-N 2.79Å; L144-L447 HydrophobicContact CD1-CD1 3.85Å; L144-L447 HydrophobicContact CD1-CD2 4.29Å; L144-L447 HydrophobicContact CD1-CG 4.37Å; L144-L447 HydrophobicContact CD2-CD1 3.96Å; L144-L447 HydrophobicContact CG-CD1 3.72Å; L144-L447 HydrophobicContact CG-CG 4.21Å
145I95.1Very high93.2Very high133 Ų13350.2 Ų50.268%0.68228%0.28SS*.  trans-120.6131-177.5-55.6173.2000108W173I145-W173 WeakPolarHBondContact O-CH2 3.26Å
146G92.9Very high93.4Very high39 Ų3946.9 Ų46.940%0.40226%0.26SS..  trans168.6-13.1173.100000116.2K171G146-K171 VanDerWaalsContact O-CE 3.23Å; G146-K171 WeakPolarHBondContact O-CE 3.46Å
147H95.9Very high93.6Very high15 Ų1547.3 Ų47.37%0.06926%0.261CS..  trans-82.1147.4169.2-77.5-64.7000111.1V151 T163 S165 D167 S169H147-V151 HydrophobicContact CB-CG2 3.86Å; H147-V151 VanDerWaalsContact CD2-CG2 3.44Å; H147-V151 WeakPolarHBondContact CD2-CG2 3.38Å; H147-T163 PolarHBondContact NE2-OG1 3.34Å; H147-S165 VanDerWaalsContact CE1-CB 3.46Å; H147-S165 WeakPolarHBondContact CE1-CB 3.36Å; H147-S165 WeakPolarHBondContact ND1-CB 3.34Å; H147-D167 WeakPolarHBondContact CA-OD2 3.08Å; H147-D167 VanDerWaalsContact CB-OD2 3.23Å; H147-D167 WeakPolarHBondContact CB-OD2 3.37Å; H147-D167 IonicContact CE1-OD1 3.76Å; H147-D167 IonicContact CE1-OD2 3.9Å; H147-D167 IonicContact CG-OD2 2.81Å; H147-D167 IonicContact ND1-OD1 2.64Å; H147-D167 PolarHBondContact ND1-OD1 3.44Å; H147-D167 IonicContact ND1-OD2 3.61Å; H147-D167 PolarHBondContact ND1-OD2 3.44Å; H147-S169 PolarHBondContact CE1-OG 3.1Å; H147-S169 VanDerWaalsContact CE1-OG 3.25Å; H147-S169 PolarHBondContact ND1-OG 3.04Å
148S95.3Very high93.6Very high99 Ų9948 Ų4869%0.69227%0.268SS*.SBendtrans-104.5-3.617962.70000113.2D167S148-D167 PolarHBondContact N-OD2 2.82Å; S148-D167 WeakPolarHBondContact OG-CB 3.44Å
149A94Very high93.7Very high24 Ų2449.3 Ų49.320%0.19828%0.282CS..SBendtrans-143.2-175.317500000110.6V151 S165 D166 D167 H443A149-V151 PolarHBondContact O-N 3.45Å; A149-S165 PolarHBondContact O-OG 2.91Å; A149-D166 HydrophobicContact CB-CB 3.94Å; A149-D167 HydrophobicContact CB-CB 3.81Å; A149-H443 VanDerWaalsContact O-CB 3.29Å; A149-H443 WeakPolarHBondContact O-CB 3.31Å
150R91.9Very high93.8Very high50 Ų5050.6 Ų50.619%0.18929%0.289CS..  trans-61.9124.3-172.9-176.1172.4-177.8-176.12.4112Y152 S165 D166R150-Y152 VanDerWaalsContact CD-CZ 3.46Å; R150-Y152 WeakPolarHBondContact CD-OH 3.47Å; R150-Y152 HydrophobicContact CG-CE1 4.29Å; R150-Y152 HydrophobicContact CG-CE2 4.37Å; R150-Y152 VanDerWaalsContact NE-CE1 3.25Å; R150-Y152 PolarHBondContact NH1-OH 3.07Å; R150-S165 WeakPolarHBondContact O-CA 3.41Å; R150-S165 PolarHBondContact O-OG 3.47Å; R150-D166 PolarHBondContact O-N 2.89Å
151V94.1Very high94Very high2 Ų246.5 Ų46.51%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-76.8120.5167.5-174.40000109H147 A149 L154 S439 I445H147-V151 HydrophobicContact CB-CG2 3.86Å; H147-V151 VanDerWaalsContact CD2-CG2 3.44Å; H147-V151 WeakPolarHBondContact CD2-CG2 3.38Å; A149-V151 PolarHBondContact O-N 3.45Å; V151-L154 HydrophobicContact CG1-CD2 3.84Å; V151-S439 WeakPolarHBondContact O-CB 3.33Å; V151-S439 PolarHBondContact O-OG 2.93Å; V151-I445 HydrophobicContact CG1-CG1 4.5Å; V151-I445 HydrophobicContact CG2-CG1 4.4Å
152Y91.6Very high94.2Very high30 Ų3042.9 Ų42.912%0.11825%0.247CC..EExtended strand (participates in β ladder)trans-106.5-26-179.9-88.8-58.6000113.8R150 G164 D166 C189 F204 S413R150-Y152 VanDerWaalsContact CD-CZ 3.46Å; R150-Y152 WeakPolarHBondContact CD-OH 3.47Å; R150-Y152 HydrophobicContact CG-CE1 4.29Å; R150-Y152 HydrophobicContact CG-CE2 4.37Å; R150-Y152 VanDerWaalsContact NE-CE1 3.25Å; R150-Y152 PolarHBondContact NH1-OH 3.07Å; Y152-G164 PolarHBondContact N-O 3.17Å; Y152-D166 WeakPolarHBondContact CD2-OD1 3.29Å; Y152-D166 WeakPolarHBondContact CE2-OD1 3.36Å; Y152-D166 WeakPolarHBondContact CE2-OD2 3.36Å; Y152-C189 WeakPolarHBondContact CB-O 3.27Å; Y152-F204 HydrophobicContact CD1-CZ 4.41Å; Y152-F204 AromaticContact CD2-CE2 3.47Å; Y152-F204 HydrophobicContact CD2-CE2 3.47Å; Y152-F204 VanDerWaalsContact CD2-CE2 3.47Å; Y152-F204 AromaticContact CD2-CZ 3.75Å; Y152-F204 HydrophobicContact CD2-CZ 3.75Å; Y152-F204 HydrophobicContact CE1-CZ 4.33Å; Y152-F204 AromaticContact CE2-CE2 3.53Å; Y152-F204 HydrophobicContact CE2-CE2 3.53Å; Y152-F204 AromaticContact CE2-CZ 3.56Å; Y152-F204 HydrophobicContact CE2-CZ 3.56Å; Y152-F204 HydrophobicContact CG-CE2 4.16Å; Y152-F204 HydrophobicContact CG-CZ 4.16Å; Y152-F204 AromaticContact CZ-CZ 3.95Å; Y152-S413 CarbonylContact O-C 3.56Å; Y152-S413 WeakPolarHBondContact O-CB 3.2Å; Y152-S413 PolarHBondContact O-OG 3.02Å
153A93.1Very high94.4Very high3 Ų340.8 Ų40.83%0.02523%0.233CC..EExtended strand (participates in β ladder)trans-125.5131.7-169.600000109.5T163 G164 V192A153-T163 CarbonylContact O-C 3.58Å; A153-T163 VanDerWaalsContact O-CA 3.3Å; A153-T163 WeakPolarHBondContact O-CA 3.49Å; A153-G164 PolarHBondContact N-O 2.88Å; A153-G164 VanDerWaalsContact N-O 3.15Å; A153-G164 PolarHBondContact O-N 2.94Å; A153-V192 HydrophobicContact CB-CB 4.26Å; A153-V192 HydrophobicContact CB-CG1 3.83Å; A153-V192 HydrophobicContact CB-CG2 3.85Å
154L95.2Very high94.5Very high18 Ų1837.5 Ų37.59%0.09421%0.209CC..EExtended strand (participates in β ladder)trans-130.5134175.1-59.5175000107.4V151 C162 T163 S414 L416 A437 I445V151-L154 HydrophobicContact CG1-CD2 3.84Å; L154-C162 WeakPolarHBondContact CA-O 3.35Å; L154-T163 HydrophobicContact CD2-CG2 3.49Å; L154-T163 VanDerWaalsContact CD2-CG2 3.49Å; L154-S414 WeakPolarHBondContact CD1-O 3.36Å; L154-L416 HydrophobicContact CB-CB 3.84Å; L154-L416 HydrophobicContact CB-CD2 3.85Å; L154-L416 HydrophobicContact CB-CG 4.46Å; L154-L416 HydrophobicContact CD1-CB 4.32Å; L154-A437 HydrophobicContact CD1-CB 4.38Å; L154-I445 HydrophobicContact CD2-CG1 4.41Å; L154-I445 HydrophobicContact CD2-CG2 4.28Å
155Y95.2Very high94.5Very high58 Ų5837.3 Ų37.323%0.22721%0.209CC..EExtended strand (participates in β ladder)trans-142.1139.2169.3-174.7-99.1000109.7K157 L161 C162 V192 K193 F194 L416Y155-K157 HydrophobicContact CE1-CB 3.96Å; Y155-L161 CarbonylContact O-C 3.6Å; Y155-C162 PolarHBondContact N-O 3.2Å; Y155-C162 PolarHBondContact O-N 2.91Å; Y155-V192 WeakPolarHBondContact CB-O 3.43Å; Y155-K193 HydrophobicContact CD1-CG 4.39Å; Y155-K193 HydrophobicContact CD2-CG 4.45Å; Y155-K193 HydrophobicContact CE1-CG 4Å; Y155-K193 HydrophobicContact CE2-CD 4.44Å; Y155-K193 HydrophobicContact CE2-CG 4.11Å; Y155-K193 WeakPolarHBondContact OH-CE 3.5Å; Y155-F194 AromaticContact CD1-CD1 3.45Å; Y155-F194 HydrophobicContact CD1-CD1 3.45Å; Y155-F194 VanDerWaalsContact CD1-CD1 3.45Å; Y155-F194 AromaticContact CD1-CE1 3.51Å; Y155-F194 HydrophobicContact CD1-CE1 3.51Å; Y155-F194 HydrophobicContact CD1-CG 4.42Å; Y155-F194 HydrophobicContact CE1-CD1 4.14Å; Y155-F194 HydrophobicContact CE1-CE1 4.19Å; Y155-F194 HydrophobicContact CG-CD1 4.44Å; Y155-F194 WeakPolarHBondContact O-CE1 3.5Å; Y155-L416 VanDerWaalsContact C-CD2 3.48Å
156Y94.7Very high94.4Very high36 Ų3633.6 Ų33.614%0.14119%0.19CC..EExtended strand (participates in β ladder)trans-128.7134.1-172.8171.8-97.6000108.4G159 L160 V175 L416 V419 L434Y156-G159 WeakPolarHBondContact OH-CA 3.42Å; Y156-G159 PolarHBondContact OH-N 3.43Å; Y156-L160 WeakPolarHBondContact CA-O 3.45Å; Y156-L160 WeakPolarHBondContact CD2-O 3.42Å; Y156-V175 HydrophobicContact CD2-CG2 4.19Å; Y156-V175 HydrophobicContact CE2-CG2 3.97Å; Y156-L416 VanDerWaalsContact CB-CD2 3.47Å; Y156-V419 HydrophobicContact CE1-CG2 3.81Å; Y156-V419 WeakPolarHBondContact OH-CG2 3.01Å; Y156-L434 HydrophobicContact CD1-CD2 4.47Å; Y156-L434 HydrophobicContact CD2-CB 4.39Å; Y156-L434 HydrophobicContact CD2-CD2 3.43Å; Y156-L434 VanDerWaalsContact CD2-CD2 3.43Å; Y156-L434 HydrophobicContact CE2-CB 3.88Å; Y156-L434 HydrophobicContact CE2-CD2 3.79Å; Y156-L434 HydrophobicContact CG-CD2 3.81Å
157K93.5Very high94.5Very high83 Ų8333 Ų3336%0.36118%0.178SC..EExtended strand (participates in β ladder)trans-156.9132.6176.6-171.6-178.5175.1-168.10109Y155 G159 L160 F194Y155-K157 HydrophobicContact CE1-CB 3.96Å; K157-G159 VanDerWaalsContact C-N 3.33Å; K157-G159 PolarHBondContact O-N 2.85Å; K157-L160 PolarHBondContact N-O 3.34Å; K157-L160 WeakPolarHBondContact O-CA 3.5Å; K157-L160 WeakPolarHBondContact O-CB 3.45Å; K157-L160 PolarHBondContact O-N 3.15Å; K157-F194 HydrophobicContact CB-CE1 4.44Å; K157-F194 HydrophobicContact CB-CE2 4.38Å; K157-F194 HydrophobicContact CB-CZ 3.9Å
158D90.7Very high94.5Very high128 Ų12835.8 Ų35.868%0.68419%0.193SC*.THydrogen-bonded Turntrans51.443.5169.8-53.5-31.1000115L160D158-L160 PolarHBondContact O-N 2.83Å
159G92.4Very high94.6Very high28 Ų2831.7 Ų31.729%0.28916%0.164SC..THydrogen-bonded Turntrans81.3-3.1-179.900000115Y156 K157 V175Y156-G159 WeakPolarHBondContact OH-CA 3.42Å; Y156-G159 PolarHBondContact OH-N 3.43Å; K157-G159 VanDerWaalsContact C-N 3.33Å; K157-G159 PolarHBondContact O-N 2.85Å; G159-V175 VanDerWaalsContact O-CB 3.31Å; G159-V175 WeakPolarHBondContact O-CB 3.46Å; G159-V175 WeakPolarHBondContact O-CG2 3.25Å; G159-V175 PolarHBondContact O-N 2.87Å; G159-V175 VanDerWaalsContact O-N 3.07Å
160L95.8Very high94.8Very high38 Ų3830.6 Ų30.620%0.19916%0.155CC..EExtended strand (participates in β ladder)trans-105.4139.2178.2-58.5178.3000110.8Y156 K157 D158 L172 W173 D174 I181 F194Y156-L160 WeakPolarHBondContact CA-O 3.45Å; Y156-L160 WeakPolarHBondContact CD2-O 3.42Å; K157-L160 PolarHBondContact N-O 3.34Å; K157-L160 WeakPolarHBondContact O-CA 3.5Å; K157-L160 WeakPolarHBondContact O-CB 3.45Å; K157-L160 PolarHBondContact O-N 3.15Å; D158-L160 PolarHBondContact O-N 2.83Å; L160-L172 HydrophobicContact CB-CD1 4.12Å; L160-L172 HydrophobicContact CD1-CD2 4.25Å; L160-W173 WeakPolarHBondContact CA-O 3.26Å; L160-D174 HydrophobicContact CD2-CB 4.36Å; L160-I181 HydrophobicContact CD2-CD1 3.42Å; L160-I181 VanDerWaalsContact CD2-CD1 3.42Å; L160-F194 HydrophobicContact CB-CE2 3.92Å; L160-F194 HydrophobicContact CB-CZ 3.69Å; L160-F194 HydrophobicContact CD1-CE2 4.25Å
161L97Very high95.1Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-114.8125.5173.9-178.372.4000108.8L144 Y155 T163 W173 V175 L416 A437 I445 L447L144-L161 HydrophobicContact CD1-CD2 3.97Å; Y155-L161 CarbonylContact O-C 3.6Å; L161-T163 HydrophobicContact CD2-CG2 4.06Å; L161-T163 HydrophobicContact CG-CG2 4.05Å; L161-W173 HydrophobicContact CB-CB 4.46Å; L161-W173 PolarHBondContact N-O 2.86Å; L161-W173 VanDerWaalsContact O-CD1 3.23Å; L161-W173 PolarHBondContact O-N 3.46Å; L161-V175 HydrophobicContact CB-CG2 3.7Å; L161-L416 HydrophobicContact CD1-CD2 3.65Å; L161-A437 HydrophobicContact CD1-CB 4.2Å; L161-A437 HydrophobicContact CD2-CB 4.07Å; L161-I445 HydrophobicContact CD2-CG2 3.93Å; L161-L447 HydrophobicContact CD2-CD2 3.73Å
162C97.1Very high95.3Very high0 Ų030.3 Ų30.30%016%0.155CC..EExtended strand (participates in β ladder)trans-101135.7168.8-1790000109.9L154 Y155 K171 L172 V192 F194 L199L154-C162 WeakPolarHBondContact CA-O 3.35Å; Y155-C162 PolarHBondContact N-O 3.2Å; Y155-C162 PolarHBondContact O-N 2.91Å; C162-K171 CarbonylContact C-O 3.32Å; C162-K171 WeakPolarHBondContact CA-O 3.39Å; C162-L172 HydrophobicContact CB-CD1 3.96Å; C162-V192 HydrophobicContact CB-CG2 4.27Å; C162-F194 HydrophobicContact CB-CD1 3.13Å; C162-F194 HydrophobicContact CB-CE1 3.45Å; C162-F194 VanDerWaalsContact CB-CE1 3.45Å; C162-F194 HydrophobicContact CB-CG 4.02Å; C162-L199 VanDerWaalsContact SG-CD1 3.54Å
163T97.1Very high95.5Very high0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-125138.9178.663.50000110.8H147 A153 L154 L161 A170 K171 W173 I445H147-T163 PolarHBondContact NE2-OG1 3.34Å; A153-T163 CarbonylContact O-C 3.58Å; A153-T163 VanDerWaalsContact O-CA 3.3Å; A153-T163 WeakPolarHBondContact O-CA 3.49Å; L154-T163 HydrophobicContact CD2-CG2 3.49Å; L154-T163 VanDerWaalsContact CD2-CG2 3.49Å; L161-T163 HydrophobicContact CD2-CG2 4.06Å; L161-T163 HydrophobicContact CG-CG2 4.05Å; T163-A170 CarbonylContact O-C 3.51Å; T163-A170 WeakPolarHBondContact O-CA 3.28Å; T163-K171 PolarHBondContact N-O 3.32Å; T163-K171 PolarHBondContact O-N 2.7Å; T163-K171 PolarHBondContact OG1-O 3.44Å; T163-W173 PolarHBondContact OG1-NE1 3.29Å; T163-I445 HydrophobicContact CG2-CD1 3.59Å; T163-I445 HydrophobicContact CG2-CG1 3.97Å
164G96.1Very high95.7Very high0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-123.4136.717600000111Y152 A153 C189Y152-G164 PolarHBondContact N-O 3.17Å; A153-G164 PolarHBondContact N-O 2.88Å; A153-G164 VanDerWaalsContact N-O 3.15Å; A153-G164 PolarHBondContact O-N 2.94Å; G164-C189 VanDerWaalsContact CA-CB 3.47Å
165S95.3Very high95.6Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-131162.8-169.2175.80000113.3H147 A149 R150 D167 S169 C189H147-S165 VanDerWaalsContact CE1-CB 3.46Å; H147-S165 WeakPolarHBondContact CE1-CB 3.36Å; H147-S165 WeakPolarHBondContact ND1-CB 3.34Å; A149-S165 PolarHBondContact O-OG 2.91Å; R150-S165 WeakPolarHBondContact O-CA 3.41Å; R150-S165 PolarHBondContact O-OG 3.47Å; S165-D167 WeakPolarHBondContact CB-OD1 3.5Å; S165-D167 PolarHBondContact O-N 3.26Å; S165-D167 PolarHBondContact OG-N 3.31Å; S165-D167 PolarHBondContact OG-OD1 3.05Å; S165-D167 PolarHBondContact OG-OD2 3.19Å; S165-D167 VanDerWaalsContact OG-OD2 3.06Å; S165-S169 PolarHBondContact N-O 3.22Å; S165-S169 VanDerWaalsContact N-O 3.11Å; S165-C189 PolarHBondContact O-N 3.05Å
166D93.6Very high95.4Very high55 Ų5538.5 Ų38.529%0.29419%0.188SC..THydrogen-bonded Turntrans-69.1-13.8168.6-82.6-13.8000113.3A149 R150 Y152 L168A149-D166 HydrophobicContact CB-CB 3.94Å; R150-D166 PolarHBondContact O-N 2.89Å; Y152-D166 WeakPolarHBondContact CD2-OD1 3.29Å; Y152-D166 WeakPolarHBondContact CE2-OD1 3.36Å; Y152-D166 WeakPolarHBondContact CE2-OD2 3.36Å; D166-L168 PolarHBondContact O-N 3.01Å
167D95.6Very high95.3Very high26 Ų2640.5 Ų40.514%0.13920%0.204CC..THydrogen-bonded Turntrans-74.210.7176.16322.2000113.3H147 S148 A149 S165 S169H147-D167 WeakPolarHBondContact CA-OD2 3.08Å; H147-D167 VanDerWaalsContact CB-OD2 3.23Å; H147-D167 WeakPolarHBondContact CB-OD2 3.37Å; H147-D167 IonicContact CE1-OD1 3.76Å; H147-D167 IonicContact CE1-OD2 3.9Å; H147-D167 IonicContact CG-OD2 2.81Å; H147-D167 IonicContact ND1-OD1 2.64Å; H147-D167 PolarHBondContact ND1-OD1 3.44Å; H147-D167 IonicContact ND1-OD2 3.61Å; H147-D167 PolarHBondContact ND1-OD2 3.44Å; S148-D167 PolarHBondContact N-OD2 2.82Å; S148-D167 WeakPolarHBondContact OG-CB 3.44Å; A149-D167 HydrophobicContact CB-CB 3.81Å; S165-D167 WeakPolarHBondContact CB-OD1 3.5Å; S165-D167 PolarHBondContact O-N 3.26Å; S165-D167 PolarHBondContact OG-N 3.31Å; S165-D167 PolarHBondContact OG-OD1 3.05Å; S165-D167 PolarHBondContact OG-OD2 3.19Å; S165-D167 VanDerWaalsContact OG-OD2 3.06Å; D167-S169 PolarHBondContact O-N 2.9Å; D167-S169 VanDerWaalsContact OD1-CB 3.31Å; D167-S169 WeakPolarHBondContact OD1-CB 3.37Å; D167-S169 PolarHBondContact OD1-N 3.26Å; D167-S169 PolarHBondContact OD1-OG 3.2Å
168L96.6Very high95.2Very high74 Ų7438.1 Ų38.139%0.38720%0.203SC..SBendtrans62.133-178.5-50.2175.9000111.9D166 Q185 T186 T188D166-L168 PolarHBondContact O-N 3.01Å; L168-Q185 VanDerWaalsContact CB-NE2 3.32Å; L168-Q185 CarbonylContact O-C 3.56Å; L168-Q185 PolarHBondContact O-NE2 2.91Å; L168-T186 PolarHBondContact O-N 2.85Å; L168-T186 PolarHBondContact O-OG1 2.84Å; L168-T188 HydrophobicContact CD2-CG2 3.46Å; L168-T188 VanDerWaalsContact CD2-CG2 3.46Å; L168-T188 VanDerWaalsContact CD2-N 3.34Å
169S96.9Very high95.5Very high13 Ų1338.5 Ų38.59%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-131.6152.8172.577.10000113H147 S165 D167 I184H147-S169 PolarHBondContact CE1-OG 3.1Å; H147-S169 VanDerWaalsContact CE1-OG 3.25Å; H147-S169 PolarHBondContact ND1-OG 3.04Å; S165-S169 PolarHBondContact N-O 3.22Å; S165-S169 VanDerWaalsContact N-O 3.11Å; D167-S169 PolarHBondContact O-N 2.9Å; D167-S169 VanDerWaalsContact OD1-CB 3.31Å; D167-S169 WeakPolarHBondContact OD1-CB 3.37Å; D167-S169 PolarHBondContact OD1-N 3.26Å; D167-S169 PolarHBondContact OD1-OG 3.2Å; S169-I184 VanDerWaalsContact CA-O 3.24Å; S169-I184 WeakPolarHBondContact CA-O 3.36Å; S169-I184 WeakPolarHBondContact CB-O 3.33Å
170A97.7Very high95.7Very high0 Ų039.8 Ų39.80%021%0.205CC..EExtended strand (participates in β ladder)trans-120.3139164.500000109.6T163 G183 I184 T186 L199T163-A170 CarbonylContact O-C 3.51Å; T163-A170 WeakPolarHBondContact O-CA 3.28Å; A170-G183 WeakPolarHBondContact O-CA 3.49Å; A170-I184 PolarHBondContact N-O 3.26Å; A170-I184 PolarHBondContact O-N 2.78Å; A170-T186 HydrophobicContact CB-CG2 3.93Å; A170-L199 HydrophobicContact CB-CD2 3.36Å
171K97.8Very high95.7Very high42 Ų4241.6 Ų41.618%0.18321%0.214CC..EExtended strand (participates in β ladder)trans-127139.2-177.2-68.5175.6-175-75.20110.7G146 C162 T163 W173 Y182G146-K171 VanDerWaalsContact O-CE 3.23Å; G146-K171 WeakPolarHBondContact O-CE 3.46Å; C162-K171 CarbonylContact C-O 3.32Å; C162-K171 WeakPolarHBondContact CA-O 3.39Å; T163-K171 PolarHBondContact N-O 3.32Å; T163-K171 PolarHBondContact O-N 2.7Å; T163-K171 PolarHBondContact OG1-O 3.44Å; K171-W173 HydrophobicContact CB-CZ2 3.8Å; K171-W173 HydrophobicContact CD-CH2 3.99Å; K171-W173 HydrophobicContact CD-CZ2 3.43Å; K171-W173 VanDerWaalsContact CD-CZ2 3.43Å; K171-W173 HydrophobicContact CG-CZ2 4.25Å; K171-Y182 CarbonylContact C-O 3.5Å; K171-Y182 VanDerWaalsContact CA-O 3.25Å; K171-Y182 WeakPolarHBondContact CA-O 3.42Å
172L97.9Very high95.7Very high5 Ų545.7 Ų45.73%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-106.7130.3172.4-168.967.9000109L160 C162 C180 I181 Y182 F194 W213L160-L172 HydrophobicContact CB-CD1 4.12Å; L160-L172 HydrophobicContact CD1-CD2 4.25Å; C162-L172 HydrophobicContact CB-CD1 3.96Å; L172-C180 CarbonylContact O-C 3.56Å; L172-C180 WeakPolarHBondContact O-CA 3.27Å; L172-I181 HydrophobicContact CD2-CD1 4.48Å; L172-I181 PolarHBondContact O-N 2.89Å; L172-Y182 HydrophobicContact CB-CD2 4.38Å; L172-Y182 HydrophobicContact CD2-CD2 3.78Å; L172-Y182 HydrophobicContact CD2-CE2 4.4Å; L172-Y182 PolarHBondContact N-O 2.83Å; L172-Y182 PolarHBondContact O-N 2.94Å; L172-F194 HydrophobicContact CD1-CD1 4.21Å; L172-F194 HydrophobicContact CD1-CD2 3.86Å; L172-F194 HydrophobicContact CD1-CE1 4Å; L172-F194 HydrophobicContact CD1-CE2 3.69Å; L172-F194 HydrophobicContact CD1-CG 4.16Å; L172-F194 HydrophobicContact CD1-CZ 3.77Å; L172-W213 HydrophobicContact CB-CH2 3.98Å; L172-W213 HydrophobicContact CB-CZ2 4.23Å; L172-W213 HydrophobicContact CB-CZ3 4.15Å; L172-W213 HydrophobicContact CD1-CZ2 4.19Å; L172-W213 HydrophobicContact CD2-CZ2 4.41Å
173W97.2Very high95.6Very high9 Ų948.1 Ų48.13%0.03426%0.255CS..EExtended strand (participates in β ladder)trans-123.7136.7-173.7-49.286.2000110.2L144 I145 L160 L161 T163 K171 Q179 C180 I445L144-W173 HydrophobicContact CB-CD2 4.28Å; L144-W173 HydrophobicContact CB-CE3 4.05Å; L144-W173 HydrophobicContact CB-CH2 4.38Å; L144-W173 HydrophobicContact CB-CZ3 4.11Å; L144-W173 HydrophobicContact CD1-CB 3.75Å; L144-W173 HydrophobicContact CD1-CD2 3.81Å; L144-W173 HydrophobicContact CD1-CE3 4.12Å; L144-W173 HydrophobicContact CD1-CG 3.65Å; L144-W173 HydrophobicContact CD2-CE3 4.27Å; L144-W173 HydrophobicContact CG-CE3 4.39Å; I145-W173 WeakPolarHBondContact O-CH2 3.26Å; L160-W173 WeakPolarHBondContact CA-O 3.26Å; L161-W173 HydrophobicContact CB-CB 4.46Å; L161-W173 PolarHBondContact N-O 2.86Å; L161-W173 VanDerWaalsContact O-CD1 3.23Å; L161-W173 PolarHBondContact O-N 3.46Å; T163-W173 PolarHBondContact OG1-NE1 3.29Å; K171-W173 HydrophobicContact CB-CZ2 3.8Å; K171-W173 HydrophobicContact CD-CH2 3.99Å; K171-W173 HydrophobicContact CD-CZ2 3.43Å; K171-W173 VanDerWaalsContact CD-CZ2 3.43Å; K171-W173 HydrophobicContact CG-CZ2 4.25Å; W173-Q179 CarbonylContact C-O 3.58Å; W173-Q179 VanDerWaalsContact CA-O 3.31Å; W173-Q179 WeakPolarHBondContact CA-O 3.25Å; W173-C180 HydrophobicContact CD2-CB 4.32Å; W173-C180 HydrophobicContact CE3-CB 3.68Å; W173-C180 HydrophobicContact CH2-CB 4.25Å; W173-C180 HydrophobicContact CZ3-CB 3.64Å; W173-I445 HydrophobicContact CZ2-CD1 4.1Å
174D95.8Very high95.6Very high47 Ų4748.5 Ų48.525%0.25126%0.257SS..EExtended strand (participates in β ladder)trans-79.6117.6162.7-179.6-63.6000108.2L160 R176 T177 G178 Q179 I181L160-D174 HydrophobicContact CD2-CB 4.36Å; D174-R176 VanDerWaalsContact C-N 3.32Å; D174-R176 PolarHBondContact O-N 3.29Å; D174-R176 WeakPolarHBondContact OD1-CA 3.25Å; D174-R176 WeakPolarHBondContact OD1-CB 3.46Å; D174-R176 PolarHBondContact OD1-N 3.27Å; D174-T177 VanDerWaalsContact CB-OG1 3.27Å; D174-T177 WeakPolarHBondContact CB-OG1 3.48Å; D174-T177 VanDerWaalsContact CG-OG1 3.25Å; D174-T177 PolarHBondContact OD1-N 2.85Å; D174-T177 PolarHBondContact OD1-OG1 2.86Å; D174-G178 VanDerWaalsContact O-CA 3.26Å; D174-G178 WeakPolarHBondContact O-CA 3.49Å; D174-G178 PolarHBondContact O-N 2.98Å; D174-Q179 PolarHBondContact N-O 3.16Å; D174-I181 HydrophobicContact CB-CD1 4.03Å; D174-I181 HydrophobicContact CB-CG1 4.21Å
175V93.9Very high95.7Very high10 Ų1054.7 Ų54.76%0.06129%0.286CS..THydrogen-bonded Turntrans-69.6-30.8-173.9172.10000112.4Y156 G159 L161 L434 L447 L449Y156-V175 HydrophobicContact CD2-CG2 4.19Å; Y156-V175 HydrophobicContact CE2-CG2 3.97Å; G159-V175 VanDerWaalsContact O-CB 3.31Å; G159-V175 WeakPolarHBondContact O-CB 3.46Å; G159-V175 WeakPolarHBondContact O-CG2 3.25Å; G159-V175 PolarHBondContact O-N 2.87Å; G159-V175 VanDerWaalsContact O-N 3.07Å; L161-V175 HydrophobicContact CB-CG2 3.7Å; V175-L434 HydrophobicContact CG1-CB 4.2Å; V175-L434 HydrophobicContact CG1-CD1 4.14Å; V175-L447 HydrophobicContact CG1-CD1 4.27Å; V175-L449 HydrophobicContact CG1-CD2 3.53Å
176R90.6Very high95.7Very high215 Ų21555.3 Ų55.381%0.81129%0.29SS*.THydrogen-bonded Turntrans-74.5-43.4-177.7-179.8-179.2-70.2159.51.3111.3D174D174-R176 VanDerWaalsContact C-N 3.32Å; D174-R176 PolarHBondContact O-N 3.29Å; D174-R176 WeakPolarHBondContact OD1-CA 3.25Å; D174-R176 WeakPolarHBondContact OD1-CB 3.46Å; D174-R176 PolarHBondContact OD1-N 3.27Å
177T92.1Very high95.8Very high78 Ų7853.5 Ų53.548%0.47928%0.28SS..THydrogen-bonded Turntrans-90.4-18.6-177.3650000112.8D174 Q179D174-T177 VanDerWaalsContact CB-OG1 3.27Å; D174-T177 WeakPolarHBondContact CB-OG1 3.48Å; D174-T177 VanDerWaalsContact CG-OG1 3.25Å; D174-T177 PolarHBondContact OD1-N 2.85Å; D174-T177 PolarHBondContact OD1-OG1 2.86Å; T177-Q179 PolarHBondContact O-N 2.63Å; T177-Q179 PolarHBondContact OG1-N 2.85Å
178G93.3Very high95.7Very high33 Ų3353.7 Ų53.734%0.3428%0.282SS..  trans70.68.4-172.500000114D174D174-G178 VanDerWaalsContact O-CA 3.26Å; D174-G178 WeakPolarHBondContact O-CA 3.49Å; D174-G178 PolarHBondContact O-N 2.98Å
179Q95.5Very high95.5Very high135 Ų13550.2 Ų50.263%0.63126%0.264SS*.  trans-81.6140.7-176.8-66.7-173-8.100111.7W173 D174 T177 I181W173-Q179 CarbonylContact C-O 3.58Å; W173-Q179 VanDerWaalsContact CA-O 3.31Å; W173-Q179 WeakPolarHBondContact CA-O 3.25Å; D174-Q179 PolarHBondContact N-O 3.16Å; T177-Q179 PolarHBondContact O-N 2.63Å; T177-Q179 PolarHBondContact OG1-N 2.85Å; Q179-I181 PolarHBondContact O-N 2.95Å
180C96.6Very high95.4Very high56 Ų5649.7 Ų49.738%0.37826%0.26SS..EExtended strand (participates in β ladder)trans-79.5112.7168.4-169.10000108.8L172 W173 Y182L172-C180 CarbonylContact O-C 3.56Å; L172-C180 WeakPolarHBondContact O-CA 3.27Å; W173-C180 HydrophobicContact CD2-CB 4.32Å; W173-C180 HydrophobicContact CE3-CB 3.68Å; W173-C180 HydrophobicContact CH2-CB 4.25Å; W173-C180 HydrophobicContact CZ3-CB 3.64Å; C180-Y182 PolarHBondContact SG-O 2.79Å
181I96.1Very high95.3Very high76 Ų7650.5 Ų50.539%0.3927%0.265SS..EExtended strand (participates in β ladder)trans-77.7-50.4179.1-54.2174.8000109.9L160 L172 D174 Q179L160-I181 HydrophobicContact CD2-CD1 3.42Å; L160-I181 VanDerWaalsContact CD2-CD1 3.42Å; L172-I181 HydrophobicContact CD2-CD1 4.48Å; L172-I181 PolarHBondContact O-N 2.89Å; D174-I181 HydrophobicContact CB-CD1 4.03Å; D174-I181 HydrophobicContact CB-CG1 4.21Å; Q179-I181 PolarHBondContact O-N 2.95Å
182Y96.3Very high95.3Very high85 Ų8548.8 Ų48.833%0.33326%0.258SS..EExtended strand (participates in β ladder)trans-131.4146.2-179.7-65.8-65.3000110.9K171 L172 C180 W213K171-Y182 CarbonylContact C-O 3.5Å; K171-Y182 VanDerWaalsContact CA-O 3.25Å; K171-Y182 WeakPolarHBondContact CA-O 3.42Å; L172-Y182 HydrophobicContact CB-CD2 4.38Å; L172-Y182 HydrophobicContact CD2-CD2 3.78Å; L172-Y182 HydrophobicContact CD2-CE2 4.4Å; L172-Y182 PolarHBondContact N-O 2.83Å; L172-Y182 PolarHBondContact O-N 2.94Å; C180-Y182 PolarHBondContact SG-O 2.79Å; Y182-W213 WeakPolarHBondContact CD1-O 3.33Å; Y182-W213 HydrophobicContact CD2-CB 3.78Å; Y182-W213 HydrophobicContact CD2-CD2 4.1Å; Y182-W213 HydrophobicContact CD2-CE3 4.07Å; Y182-W213 AromaticContact CD2-CG 4Å; Y182-W213 HydrophobicContact CD2-CG 4Å; Y182-W213 HydrophobicContact CE1-CB 4.49Å; Y182-W213 HydrophobicContact CE2-CB 3.74Å; Y182-W213 HydrophobicContact CE2-CG 4.27Å; Y182-W213 HydrophobicContact CG-CB 4.2Å; Y182-W213 HydrophobicContact CG-CD2 4.47Å; Y182-W213 HydrophobicContact CG-CE3 4.01Å
183G96.4Very high95.2Very high52 Ų5250 Ų5054%0.53626%0.263SS..EExtended strand (participates in β ladder)trans-136.7114.2167.700000109.4A170A170-G183 WeakPolarHBondContact O-CA 3.49Å
184I97.3Very high95.1Very high8 Ų849.8 Ų49.84%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-109.2137.7-178.6-60.4178.8000109.4S169 A170 T186 W211 W213S169-I184 VanDerWaalsContact CA-O 3.24Å; S169-I184 WeakPolarHBondContact CA-O 3.36Å; S169-I184 WeakPolarHBondContact CB-O 3.33Å; A170-I184 PolarHBondContact N-O 3.26Å; A170-I184 PolarHBondContact O-N 2.78Å; I184-T186 HydrophobicContact CB-CG2 4.21Å; I184-T186 HydrophobicContact CG2-CG2 3.85Å; I184-T186 PolarHBondContact O-N 2.83Å; I184-W211 HydrophobicContact CD1-CB 4.22Å; I184-W211 HydrophobicContact CG2-CD2 4.43Å; I184-W211 HydrophobicContact CG2-CE3 4.06Å; I184-W213 HydrophobicContact CD1-CD2 4.19Å; I184-W213 HydrophobicContact CD1-CE3 3.3Å; I184-W213 HydrophobicContact CD1-CZ3 3.64Å; I184-W213 HydrophobicContact CG1-CE3 3.94Å; I184-W213 HydrophobicContact CG1-CZ3 4.03Å
185Q97.2Very high95.1Very high130 Ų13048.7 Ų48.761%0.60726%0.257SS*.EExtended strand (participates in β ladder)trans-76.2114.6166.9-171.570.634.500109.6L168 W211L168-Q185 VanDerWaalsContact CB-NE2 3.32Å; L168-Q185 CarbonylContact O-C 3.56Å; L168-Q185 PolarHBondContact O-NE2 2.91Å; Q185-W211 WeakPolarHBondContact O-CZ3 3.41Å
186T96.1Very high95Very high13 Ų1356 Ų568%0.0829%0.29CS..  trans-118.1-165.9-175.359.90000111.3L168 A170 I184 C189 L199 T201 W211L168-T186 PolarHBondContact O-N 2.85Å; L168-T186 PolarHBondContact O-OG1 2.84Å; A170-T186 HydrophobicContact CB-CG2 3.93Å; I184-T186 HydrophobicContact CB-CG2 4.21Å; I184-T186 HydrophobicContact CG2-CG2 3.85Å; I184-T186 PolarHBondContact O-N 2.83Å; T186-C189 PolarHBondContact OG1-SG 2.86Å; T186-L199 HydrophobicContact CG2-CD2 4.31Å; T186-T201 HydrophobicContact CG2-CG2 4.44Å; T186-W211 HydrophobicContact CG2-CD2 4.12Å; T186-W211 HydrophobicContact CG2-CH2 4.39Å; T186-W211 HydrophobicContact CG2-CZ2 3.98Å
187H94.6Very high95.1Very high17 Ų1753 Ų538%0.07929%0.285CS..SBendtrans-84-173.4156.454.1-154.2000110.7C189 T201 D205 T207H187-C189 PolarHBondContact O-N 3.21Å; H187-C189 PolarHBondContact O-SG 3.05Å; H187-C189 VanDerWaalsContact O-SG 3.38Å; H187-T201 PolarHBondContact CD2-OG1 3.05Å; H187-T201 PolarHBondContact CE1-OG1 2.97Å; H187-T201 WeakPolarHBondContact NE2-CB 3.02Å; H187-T201 PolarHBondContact NE2-OG1 2.87Å; H187-D205 VanDerWaalsContact CB-OD2 3.32Å; H187-D205 WeakPolarHBondContact CB-OD2 3.2Å; H187-D205 IonicContact CG-OD2 3.87Å; H187-D205 IonicContact ND1-OD2 3.51Å; H187-T207 PolarHBondContact ND1-OG1 2.85Å
188T94.2Very high95.3Very high30 Ų3050.4 Ų50.418%0.18427%0.268CS..  trans-61138.1169.961.40000109.8L168 S203 F204L168-T188 HydrophobicContact CD2-CG2 3.46Å; L168-T188 VanDerWaalsContact CD2-CG2 3.46Å; L168-T188 VanDerWaalsContact CD2-N 3.34Å; T188-S203 VanDerWaalsContact O-CA 3.24Å; T188-S203 WeakPolarHBondContact O-CA 3.31Å; T188-S203 WeakPolarHBondContact O-CB 3.08Å; T188-S203 PolarHBondContact O-OG 2.7Å; T188-S203 PolarHBondContact OG1-OG 2.87Å; T188-F204 PolarHBondContact OG1-N 2.84Å
189C93.3Very high95.5Very high0 Ų048.9 Ų48.90%025%0.251CS..  trans-113.398-175.8-64.50000111Y152 G164 S165 T186 H187 V192Y152-C189 WeakPolarHBondContact CB-O 3.27Å; G164-C189 VanDerWaalsContact CA-CB 3.47Å; S165-C189 PolarHBondContact O-N 3.05Å; T186-C189 PolarHBondContact OG1-SG 2.86Å; H187-C189 PolarHBondContact O-N 3.21Å; H187-C189 PolarHBondContact O-SG 3.05Å; H187-C189 VanDerWaalsContact O-SG 3.38Å; C189-V192 HydrophobicContact CB-CG1 4.06Å
190A94Very high95.6Very high2 Ų242.4 Ų42.42%0.01722%0.221CC..SBendtrans-77.5-25.3170.600000112.2G202 F204 V229A190-G202 PolarHBondContact N-O 3.43Å; A190-F204 HydrophobicContact CB-CD2 3.99Å; A190-F204 HydrophobicContact CB-CE1 4.37Å; A190-F204 HydrophobicContact CB-CE2 3.78Å; A190-F204 HydrophobicContact CB-CG 4.38Å; A190-F204 HydrophobicContact CB-CZ 4.01Å; A190-V229 VanDerWaalsContact CB-O 3.28Å; A190-V229 WeakPolarHBondContact CB-O 3.46Å
191T95.4Very high95.7Very high18 Ų1839.8 Ų39.811%0.1120%0.203CC..EExtended strand (participates in β ladder)trans-150.5150.2176.6-172.50000110.6T201 G202 F230 V232T191-T201 WeakPolarHBondContact O-CA 3.39Å; T191-G202 PolarHBondContact N-O 3.06Å; T191-G202 PolarHBondContact O-N 2.91Å; T191-F230 WeakPolarHBondContact CB-O 3.17Å; T191-V232 HydrophobicContact CG2-CB 4.25Å; T191-V232 HydrophobicContact CG2-CG1 3.82Å; T191-V232 HydrophobicContact CG2-CG2 3.79Å
192V96.7Very high95.8Very high5 Ų536.1 Ų36.13%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-137.7144.9177.5-61.60000109.6A153 Y155 C162 C189 L199 V200 T201A153-V192 HydrophobicContact CB-CB 4.26Å; A153-V192 HydrophobicContact CB-CG1 3.83Å; A153-V192 HydrophobicContact CB-CG2 3.85Å; Y155-V192 WeakPolarHBondContact CB-O 3.43Å; C162-V192 HydrophobicContact CB-CG2 4.27Å; C189-V192 HydrophobicContact CB-CG1 4.06Å; V192-L199 HydrophobicContact CB-CD1 4.09Å; V192-L199 HydrophobicContact CG1-CD1 4.36Å; V192-V200 CarbonylContact C-O 3.52Å; V192-V200 WeakPolarHBondContact CA-O 3.42Å; V192-T201 HydrophobicContact CG1-CG2 4.18Å
193K96.6Very high95.8Very high30 Ų3032.1 Ų32.113%0.1317%0.169CC..EExtended strand (participates in β ladder)trans-142.6141.8165.9-170.2169-179.2161.90108.2Y155 V200 V232 D233 Y234Y155-K193 HydrophobicContact CD1-CG 4.39Å; Y155-K193 HydrophobicContact CD2-CG 4.45Å; Y155-K193 HydrophobicContact CE1-CG 4Å; Y155-K193 HydrophobicContact CE2-CD 4.44Å; Y155-K193 HydrophobicContact CE2-CG 4.11Å; Y155-K193 WeakPolarHBondContact OH-CE 3.5Å; K193-V200 PolarHBondContact N-O 3.37Å; K193-V200 PolarHBondContact O-N 2.98Å; K193-V232 HydrophobicContact CB-CG2 4.27Å; K193-D233 WeakPolarHBondContact CE-OD1 3.31Å; K193-D233 IonicContact NZ-OD1 3.89Å; K193-D233 PolarHBondContact NZ-OD1 3.25Å; K193-D233 IonicContact NZ-OD2 3.36Å; K193-D233 PolarHBondContact NZ-OD2 3.21Å; K193-Y234 HydrophobicContact CB-CD1 4.37Å; K193-Y234 HydrophobicContact CB-CE1 4.11Å; K193-Y234 HydrophobicContact CD-CD1 3.89Å; K193-Y234 HydrophobicContact CD-CE1 3.93Å; K193-Y234 HydrophobicContact CG-CD1 4.12Å; K193-Y234 HydrophobicContact CG-CE1 3.72Å
194F96.3Very high95.7Very high5 Ų532.8 Ų32.82%0.02216%0.157CC..EExtended strand (participates in β ladder)trans-141.5162.6-177.576.9-87000112.5Y155 K157 L160 C162 L172 K198 L199 W213Y155-F194 AromaticContact CD1-CD1 3.45Å; Y155-F194 HydrophobicContact CD1-CD1 3.45Å; Y155-F194 VanDerWaalsContact CD1-CD1 3.45Å; Y155-F194 AromaticContact CD1-CE1 3.51Å; Y155-F194 HydrophobicContact CD1-CE1 3.51Å; Y155-F194 HydrophobicContact CD1-CG 4.42Å; Y155-F194 HydrophobicContact CE1-CD1 4.14Å; Y155-F194 HydrophobicContact CE1-CE1 4.19Å; Y155-F194 HydrophobicContact CG-CD1 4.44Å; Y155-F194 WeakPolarHBondContact O-CE1 3.5Å; K157-F194 HydrophobicContact CB-CE1 4.44Å; K157-F194 HydrophobicContact CB-CE2 4.38Å; K157-F194 HydrophobicContact CB-CZ 3.9Å; L160-F194 HydrophobicContact CB-CE2 3.92Å; L160-F194 HydrophobicContact CB-CZ 3.69Å; L160-F194 HydrophobicContact CD1-CE2 4.25Å; C162-F194 HydrophobicContact CB-CD1 3.13Å; C162-F194 HydrophobicContact CB-CE1 3.45Å; C162-F194 VanDerWaalsContact CB-CE1 3.45Å; C162-F194 HydrophobicContact CB-CG 4.02Å; L172-F194 HydrophobicContact CD1-CD1 4.21Å; L172-F194 HydrophobicContact CD1-CD2 3.86Å; L172-F194 HydrophobicContact CD1-CE1 4Å; L172-F194 HydrophobicContact CD1-CE2 3.69Å; L172-F194 HydrophobicContact CD1-CG 4.16Å; L172-F194 HydrophobicContact CD1-CZ 3.77Å; F194-K198 VanDerWaalsContact CA-O 3.31Å; F194-K198 WeakPolarHBondContact CA-O 3.34Å; F194-K198 WeakPolarHBondContact CB-O 3.19Å; F194-L199 HydrophobicContact CB-CD1 4.31Å; F194-W213 HydrophobicContact CB-CZ2 3.78Å; F194-W213 HydrophobicContact CG-CZ2 4.27Å
195D94.6Very high95.6Very high24 Ų2435.9 Ų35.913%0.12817%0.174CC..  trans-129.7-171.3158.259.844000109.3Q197 K198 W213 Y234D195-Q197 PolarHBondContact O-N 3.19Å; D195-Q197 VanDerWaalsContact O-N 3.15Å; D195-Q197 PolarHBondContact OD1-N 2.53Å; D195-K198 PolarHBondContact N-O 2.63Å; D195-K198 PolarHBondContact OD1-N 3.31Å; D195-K198 WeakPolarHBondContact OD2-CE 3.31Å; D195-W213 PolarHBondContact O-NE1 3.25Å; D195-Y234 WeakPolarHBondContact CB-OH 3.43Å; D195-Y234 PolarHBondContact N-OH 2.97Å; D195-Y234 PolarHBondContact OD2-OH 3.33Å
196E91.1Very high95.6Very high165 Ų16532.1 Ų32.177%0.77116%0.158SC*.SBendtrans-58-26.5-177.6-59.9-177.6172.800114
197Q93Very high95.7Very high150 Ų15032.5 Ų32.570%0.70116%0.16SC*.SBendtrans-107.7-36.4-172-63.8-173.1-6.400113.1D195 W213D195-Q197 PolarHBondContact O-N 3.19Å; D195-Q197 VanDerWaalsContact O-N 3.15Å; D195-Q197 PolarHBondContact OD1-N 2.53Å; Q197-W213 VanDerWaalsContact C-CD1 3.4Å; Q197-W213 PolarHBondContact O-N 2.88Å
198K96.1Very high95.9Very high25 Ų2531.7 Ų31.711%0.10916%0.157CC..EExtended strand (participates in β ladder)trans-134.7158.1-171.173.9-167.2173.1-176.40114.2F194 D195 W211 W213 D236F194-K198 VanDerWaalsContact CA-O 3.31Å; F194-K198 WeakPolarHBondContact CA-O 3.34Å; F194-K198 WeakPolarHBondContact CB-O 3.19Å; D195-K198 PolarHBondContact N-O 2.63Å; D195-K198 PolarHBondContact OD1-N 3.31Å; D195-K198 WeakPolarHBondContact OD2-CE 3.31Å; K198-W211 CarbonylContact C-O 3.54Å; K198-W211 WeakPolarHBondContact CA-O 3.32Å; K198-W211 VanDerWaalsContact CB-O 3.27Å; K198-W211 WeakPolarHBondContact CB-O 3.49Å; K198-W213 PolarHBondContact O-NE1 2.56Å; K198-D236 VanDerWaalsContact NZ-CG 3.29Å; K198-D236 IonicContact NZ-OD1 3.61Å; K198-D236 PolarHBondContact NZ-OD1 3.29Å; K198-D236 IonicContact NZ-OD2 3.96Å; K198-D236 PolarHBondContact NZ-OD2 2.96Å
199L98.3Very high96.1Very high0 Ų030.3 Ų30.30%015%0.148CC..EExtended strand (participates in β ladder)trans-115.3135.1171.8173.264.9000109.1C162 A170 T186 V192 F194 T201 C210 W211 W213C162-L199 VanDerWaalsContact SG-CD1 3.54Å; A170-L199 HydrophobicContact CB-CD2 3.36Å; T186-L199 HydrophobicContact CG2-CD2 4.31Å; V192-L199 HydrophobicContact CB-CD1 4.09Å; V192-L199 HydrophobicContact CG1-CD1 4.36Å; F194-L199 HydrophobicContact CB-CD1 4.31Å; L199-T201 HydrophobicContact CD1-CG2 4.04Å; L199-T201 HydrophobicContact CD2-CG2 3.56Å; L199-T201 HydrophobicContact CG-CG2 3.63Å; L199-C210 CarbonylContact O-C 3.53Å; L199-C210 VanDerWaalsContact O-CA 3.27Å; L199-C210 WeakPolarHBondContact O-CA 3.18Å; L199-W211 HydrophobicContact CB-CB 4.26Å; L199-W211 PolarHBondContact N-O 3.44Å; L199-W211 PolarHBondContact O-N 3.18Å; L199-W213 HydrophobicContact CB-CD2 4.33Å; L199-W213 HydrophobicContact CB-CH2 3.82Å; L199-W213 HydrophobicContact CB-CZ2 3.56Å; L199-W213 HydrophobicContact CB-CZ3 4.32Å; L199-W213 HydrophobicContact CD1-CH2 3.88Å; L199-W213 HydrophobicContact CD1-CZ2 3.82Å; L199-W213 HydrophobicContact CD2-CH2 3.68Å; L199-W213 HydrophobicContact CD2-CZ2 4.27Å; L199-W213 HydrophobicContact CD2-CZ3 4.03Å; L199-W213 HydrophobicContact CG-CH2 3.98Å; L199-W213 HydrophobicContact CG-CZ2 4.06Å
200V98.4Very high96.3Very high0 Ų030.4 Ų30.40%015%0.149CC..EExtended strand (participates in β ladder)trans-111.5127.3166.5178.30000108.5V192 K193 I208 A209 C210 V232 Y234 L241V192-V200 CarbonylContact C-O 3.52Å; V192-V200 WeakPolarHBondContact CA-O 3.42Å; K193-V200 PolarHBondContact N-O 3.37Å; K193-V200 PolarHBondContact O-N 2.98Å; V200-I208 HydrophobicContact CG1-CG2 3.88Å; V200-A209 WeakPolarHBondContact CA-O 3.33Å; V200-C210 HydrophobicContact CG2-CB 4.43Å; V200-V232 HydrophobicContact CG1-CB 4.29Å; V200-V232 HydrophobicContact CG1-CG2 3.97Å; V200-Y234 HydrophobicContact CB-CD1 4.3Å; V200-Y234 HydrophobicContact CB-CE1 4.39Å; V200-Y234 HydrophobicContact CG2-CD1 3.75Å; V200-Y234 HydrophobicContact CG2-CE1 3.83Å; V200-Y234 HydrophobicContact CG2-CG 4.45Å; V200-L241 HydrophobicContact CG1-CD1 3.55Å; V200-L241 HydrophobicContact CG2-CD1 4.38Å
201T98.1Very high96.5Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-121.7135.7179.360.40000111T186 H187 T191 V192 L199 I208 A209 W211T186-T201 HydrophobicContact CG2-CG2 4.44Å; H187-T201 PolarHBondContact CD2-OG1 3.05Å; H187-T201 PolarHBondContact CE1-OG1 2.97Å; H187-T201 WeakPolarHBondContact NE2-CB 3.02Å; H187-T201 PolarHBondContact NE2-OG1 2.87Å; T191-T201 WeakPolarHBondContact O-CA 3.39Å; V192-T201 HydrophobicContact CG1-CG2 4.18Å; L199-T201 HydrophobicContact CD1-CG2 4.04Å; L199-T201 HydrophobicContact CD2-CG2 3.56Å; L199-T201 HydrophobicContact CG-CG2 3.63Å; T201-I208 CarbonylContact O-C 3.57Å; T201-I208 WeakPolarHBondContact O-CA 3.14Å; T201-I208 VanDerWaalsContact O-CG2 3.27Å; T201-I208 WeakPolarHBondContact O-CG2 3.42Å; T201-A209 PolarHBondContact N-O 2.86Å; T201-A209 PolarHBondContact O-N 3.25Å; T201-W211 PolarHBondContact OG1-NE1 3.02Å
202G97.4Very high96.6Very high0 Ų033.6 Ų33.60%016%0.162CC..EExtended strand (participates in β ladder)trans-109.6141.4166.800000110.6A190 T191A190-G202 PolarHBondContact N-O 3.43Å; T191-G202 PolarHBondContact N-O 3.06Å; T191-G202 PolarHBondContact O-N 2.91Å
203S96.3Very high96.6Very high0 Ų033.6 Ų33.60%016%0.161CC..  trans-123.4160.4-165.6178.40000114T188 D205 N206 T207 V229T188-S203 VanDerWaalsContact O-CA 3.24Å; T188-S203 WeakPolarHBondContact O-CA 3.31Å; T188-S203 WeakPolarHBondContact O-CB 3.08Å; T188-S203 PolarHBondContact O-OG 2.7Å; T188-S203 PolarHBondContact OG1-OG 2.87Å; S203-D205 WeakPolarHBondContact CB-OD1 3.3Å; S203-D205 PolarHBondContact O-N 2.83Å; S203-D205 PolarHBondContact OG-N 2.99Å; S203-D205 PolarHBondContact OG-OD1 2.82Å; S203-D205 PolarHBondContact OG-OD2 2.72Å; S203-N206 PolarHBondContact O-N 2.72Å; S203-T207 WeakPolarHBondContact CB-O 3.12Å; S203-T207 PolarHBondContact N-O 2.83Å; S203-V229 PolarHBondContact O-N 3.11Å
204F95Very high96.5Very high66 Ų6636.1 Ų36.129%0.28918%0.182SC..THydrogen-bonded Turntrans-71-12.2166.7-64.3-83.6000113.3Y152 T188 A190 N206 A228 F230Y152-F204 HydrophobicContact CD1-CZ 4.41Å; Y152-F204 AromaticContact CD2-CE2 3.47Å; Y152-F204 HydrophobicContact CD2-CE2 3.47Å; Y152-F204 VanDerWaalsContact CD2-CE2 3.47Å; Y152-F204 AromaticContact CD2-CZ 3.75Å; Y152-F204 HydrophobicContact CD2-CZ 3.75Å; Y152-F204 HydrophobicContact CE1-CZ 4.33Å; Y152-F204 AromaticContact CE2-CE2 3.53Å; Y152-F204 HydrophobicContact CE2-CE2 3.53Å; Y152-F204 AromaticContact CE2-CZ 3.56Å; Y152-F204 HydrophobicContact CE2-CZ 3.56Å; Y152-F204 HydrophobicContact CG-CE2 4.16Å; Y152-F204 HydrophobicContact CG-CZ 4.16Å; Y152-F204 AromaticContact CZ-CZ 3.95Å; T188-F204 PolarHBondContact OG1-N 2.84Å; A190-F204 HydrophobicContact CB-CD2 3.99Å; A190-F204 HydrophobicContact CB-CE1 4.37Å; A190-F204 HydrophobicContact CB-CE2 3.78Å; A190-F204 HydrophobicContact CB-CG 4.38Å; A190-F204 HydrophobicContact CB-CZ 4.01Å; F204-N206 PolarHBondContact O-N 3.23Å; F204-N206 PolarHBondContact O-OD1 2.64Å; F204-A228 HydrophobicContact CB-CB 4.46Å; F204-A228 HydrophobicContact CD1-CB 3.9Å; F204-F230 HydrophobicContact CD1-CE1 4.48Å; F204-F230 HydrophobicContact CE1-CE1 4.26Å
205D95.7Very high96.5Very high73 Ų7340.2 Ų40.239%0.3921%0.208SC..THydrogen-bonded Turntrans-81.410173.869.723.6000113.7H187 S203 T207H187-D205 VanDerWaalsContact CB-OD2 3.32Å; H187-D205 WeakPolarHBondContact CB-OD2 3.2Å; H187-D205 IonicContact CG-OD2 3.87Å; H187-D205 IonicContact ND1-OD2 3.51Å; S203-D205 WeakPolarHBondContact CB-OD1 3.3Å; S203-D205 PolarHBondContact O-N 2.83Å; S203-D205 PolarHBondContact OG-N 2.99Å; S203-D205 PolarHBondContact OG-OD1 2.82Å; S203-D205 PolarHBondContact OG-OD2 2.72Å; D205-T207 PolarHBondContact O-N 3.03Å; D205-T207 WeakPolarHBondContact OD1-CA 3.34Å; D205-T207 WeakPolarHBondContact OD1-CB 3.21Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.26Å; D205-T207 PolarHBondContact OD1-N 2.98Å; D205-T207 PolarHBondContact OD1-OG1 2.84Å
206N97.4Very high96.6Very high51 Ų5140.3 Ų40.327%0.27321%0.214SC..SBendtrans69.68.3-179.1-42.6-21.7000114.6S203 F204 H225 T226 G227 A228S203-N206 PolarHBondContact O-N 2.72Å; F204-N206 PolarHBondContact O-N 3.23Å; F204-N206 PolarHBondContact O-OD1 2.64Å; N206-H225 HydrophobicContact CB-CB 4.49Å; N206-H225 WeakPolarHBondContact CB-O 3.43Å; N206-T226 PolarHBondContact ND2-O 2.79Å; N206-G227 WeakPolarHBondContact CA-O 3.16Å; N206-G227 WeakPolarHBondContact CB-O 3.31Å; N206-G227 VanDerWaalsContact CG-C 3.46Å; N206-G227 VanDerWaalsContact OD1-CA 3.32Å; N206-G227 WeakPolarHBondContact OD1-CA 3.39Å; N206-G227 PolarHBondContact OD1-O 2.94Å; N206-A228 PolarHBondContact OD1-N 2.92Å; N206-A228 VanDerWaalsContact OD1-N 3.13Å
207T97.5Very high96.8Very high21 Ų2134.6 Ų34.613%0.12920%0.196CC..  trans-107.8158.8178.976.30000112.3H187 S203 D205 R223H187-T207 PolarHBondContact ND1-OG1 2.85Å; S203-T207 WeakPolarHBondContact CB-O 3.12Å; S203-T207 PolarHBondContact N-O 2.83Å; D205-T207 PolarHBondContact O-N 3.03Å; D205-T207 WeakPolarHBondContact OD1-CA 3.34Å; D205-T207 WeakPolarHBondContact OD1-CB 3.21Å; D205-T207 WeakPolarHBondContact OD1-CG2 3.26Å; D205-T207 PolarHBondContact OD1-N 2.98Å; D205-T207 PolarHBondContact OD1-OG1 2.84Å; T207-R223 HydrophobicContact CG2-CG 4.28Å
208I98.6Very high97.1Very high1 Ų132.3 Ų32.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-119.3145.7169.1-54.5160000106.6V200 T201 F222 V229 V232 L241 S243 W253V200-I208 HydrophobicContact CG1-CG2 3.88Å; T201-I208 CarbonylContact O-C 3.57Å; T201-I208 WeakPolarHBondContact O-CA 3.14Å; T201-I208 VanDerWaalsContact O-CG2 3.27Å; T201-I208 WeakPolarHBondContact O-CG2 3.42Å; I208-F222 HydrophobicContact CB-CB 4.03Å; I208-F222 HydrophobicContact CB-CD2 3.82Å; I208-F222 HydrophobicContact CB-CG 4.26Å; I208-F222 HydrophobicContact CG2-CD2 3.72Å; I208-F222 HydrophobicContact CG2-CE2 4.26Å; I208-F222 HydrophobicContact CG2-CG 4.45Å; I208-F222 PolarHBondContact N-O 2.98Å; I208-F222 VanDerWaalsContact N-O 3.16Å; I208-F222 PolarHBondContact O-N 3.01Å; I208-V229 HydrophobicContact CD1-CG1 4.05Å; I208-V229 HydrophobicContact CD1-CG2 4.37Å; I208-V229 HydrophobicContact CG1-CB 4.3Å; I208-V229 HydrophobicContact CG1-CG1 3.91Å; I208-V229 HydrophobicContact CG1-CG2 3.97Å; I208-V232 HydrophobicContact CD1-CG1 4.19Å; I208-V232 HydrophobicContact CG1-CG1 4.25Å; I208-V232 HydrophobicContact CG2-CG1 4.2Å; I208-L241 HydrophobicContact CD1-CD2 3.94Å; I208-L241 HydrophobicContact CG2-CD1 4.03Å; I208-L241 HydrophobicContact CG2-CD2 4.27Å; I208-S243 WeakPolarHBondContact CD1-OG 3.44Å; I208-W253 HydrophobicContact CD1-CZ2 4.25Å
209A98.3Very high97.1Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-136.8147.5175.100000110.6V200 T201 W211 K218 Q220V200-A209 WeakPolarHBondContact CA-O 3.33Å; T201-A209 PolarHBondContact N-O 2.86Å; T201-A209 PolarHBondContact O-N 3.25Å; A209-W211 HydrophobicContact CB-CZ2 3.65Å; A209-K218 HydrophobicContact CB-CD 4.23Å; A209-K218 HydrophobicContact CB-CG 4.27Å; A209-Q220 WeakPolarHBondContact CA-O 3.44Å
210C98.4Very high97.1Very high3 Ų337.8 Ų37.82%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-109.6138.1168.2-167.20000109.1L199 V200 K218 I219 Q220 F222L199-C210 CarbonylContact O-C 3.53Å; L199-C210 VanDerWaalsContact O-CA 3.27Å; L199-C210 WeakPolarHBondContact O-CA 3.18Å; V200-C210 HydrophobicContact CG2-CB 4.43Å; C210-K218 CarbonylContact O-C 3.57Å; C210-I219 HydrophobicContact CB-CD1 4.37Å; C210-I219 HydrophobicContact CB-CG1 3.87Å; C210-I219 WeakPolarHBondContact O-CG1 3.37Å; C210-I219 PolarHBondContact O-N 3.3Å; C210-Q220 HydrophobicContact CB-CB 3.96Å; C210-Q220 PolarHBondContact N-O 2.86Å; C210-Q220 PolarHBondContact O-N 2.95Å; C210-F222 HydrophobicContact CB-CE2 4.33Å
211W98.3Very high97Very high14 Ų1440.2 Ų40.25%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-131145.5-173.9-43.680.7000109.7I184 Q185 T186 K198 L199 T201 A209 A217 K218I184-W211 HydrophobicContact CD1-CB 4.22Å; I184-W211 HydrophobicContact CG2-CD2 4.43Å; I184-W211 HydrophobicContact CG2-CE3 4.06Å; Q185-W211 WeakPolarHBondContact O-CZ3 3.41Å; T186-W211 HydrophobicContact CG2-CD2 4.12Å; T186-W211 HydrophobicContact CG2-CH2 4.39Å; T186-W211 HydrophobicContact CG2-CZ2 3.98Å; K198-W211 CarbonylContact C-O 3.54Å; K198-W211 WeakPolarHBondContact CA-O 3.32Å; K198-W211 VanDerWaalsContact CB-O 3.27Å; K198-W211 WeakPolarHBondContact CB-O 3.49Å; L199-W211 HydrophobicContact CB-CB 4.26Å; L199-W211 PolarHBondContact N-O 3.44Å; L199-W211 PolarHBondContact O-N 3.18Å; T201-W211 PolarHBondContact OG1-NE1 3.02Å; A209-W211 HydrophobicContact CB-CZ2 3.65Å; W211-A217 CarbonylContact C-O 3.55Å; W211-A217 VanDerWaalsContact CA-O 3.24Å; W211-A217 WeakPolarHBondContact CA-O 3.47Å; W211-K218 HydrophobicContact CD2-CB 4.36Å; W211-K218 HydrophobicContact CD2-CG 4.5Å; W211-K218 HydrophobicContact CE3-CB 3.69Å; W211-K218 HydrophobicContact CE3-CG 4.26Å; W211-K218 HydrophobicContact CH2-CB 4.32Å; W211-K218 HydrophobicContact CH2-CD 4.35Å; W211-K218 HydrophobicContact CH2-CG 4.43Å; W211-K218 HydrophobicContact CZ3-CB 3.69Å; W211-K218 HydrophobicContact CZ3-CG 4.24Å
212E97.5Very high97.1Very high73 Ų7340.2 Ų40.234%0.34122%0.223SC..EExtended strand (participates in β ladder)trans-91.8130.5172.2-179.7178.3-127.500110.3S214 T215 G216 A217 I219E212-S214 WeakPolarHBondContact CG-OG 3.39Å; E212-T215 WeakPolarHBondContact OE2-CB 3.31Å; E212-T215 WeakPolarHBondContact OE2-CG2 3.23Å; E212-T215 PolarHBondContact OE2-OG1 3.49Å; E212-G216 VanDerWaalsContact O-CA 3.26Å; E212-G216 WeakPolarHBondContact O-CA 3.21Å; E212-G216 PolarHBondContact O-N 2.88Å; E212-A217 PolarHBondContact N-O 2.88Å; E212-I219 HydrophobicContact CB-CG2 3.92Å
213W95.7Very high97.1Very high5 Ų548.7 Ų48.72%0.01926%0.255CS..THydrogen-bonded Turntrans-63.1-45.1-176.8-75.8127.1000113.5L172 Y182 I184 F194 D195 Q197 K198 L199 T215L172-W213 HydrophobicContact CB-CH2 3.98Å; L172-W213 HydrophobicContact CB-CZ2 4.23Å; L172-W213 HydrophobicContact CB-CZ3 4.15Å; L172-W213 HydrophobicContact CD1-CZ2 4.19Å; L172-W213 HydrophobicContact CD2-CZ2 4.41Å; Y182-W213 WeakPolarHBondContact CD1-O 3.33Å; Y182-W213 HydrophobicContact CD2-CB 3.78Å; Y182-W213 HydrophobicContact CD2-CD2 4.1Å; Y182-W213 HydrophobicContact CD2-CE3 4.07Å; Y182-W213 AromaticContact CD2-CG 4Å; Y182-W213 HydrophobicContact CD2-CG 4Å; Y182-W213 HydrophobicContact CE1-CB 4.49Å; Y182-W213 HydrophobicContact CE2-CB 3.74Å; Y182-W213 HydrophobicContact CE2-CG 4.27Å; Y182-W213 HydrophobicContact CG-CB 4.2Å; Y182-W213 HydrophobicContact CG-CD2 4.47Å; Y182-W213 HydrophobicContact CG-CE3 4.01Å; I184-W213 HydrophobicContact CD1-CD2 4.19Å; I184-W213 HydrophobicContact CD1-CE3 3.3Å; I184-W213 HydrophobicContact CD1-CZ3 3.64Å; I184-W213 HydrophobicContact CG1-CE3 3.94Å; I184-W213 HydrophobicContact CG1-CZ3 4.03Å; F194-W213 HydrophobicContact CB-CZ2 3.78Å; F194-W213 HydrophobicContact CG-CZ2 4.27Å; D195-W213 PolarHBondContact O-NE1 3.25Å; Q197-W213 VanDerWaalsContact C-CD1 3.4Å; Q197-W213 PolarHBondContact O-N 2.88Å; K198-W213 PolarHBondContact O-NE1 2.56Å; L199-W213 HydrophobicContact CB-CD2 4.33Å; L199-W213 HydrophobicContact CB-CH2 3.82Å; L199-W213 HydrophobicContact CB-CZ2 3.56Å; L199-W213 HydrophobicContact CB-CZ3 4.32Å; L199-W213 HydrophobicContact CD1-CH2 3.88Å; L199-W213 HydrophobicContact CD1-CZ2 3.82Å; L199-W213 HydrophobicContact CD2-CH2 3.68Å; L199-W213 HydrophobicContact CD2-CZ2 4.27Å; L199-W213 HydrophobicContact CD2-CZ3 4.03Å; L199-W213 HydrophobicContact CG-CH2 3.98Å; L199-W213 HydrophobicContact CG-CZ2 4.06Å; W213-T215 PolarHBondContact O-N 3.21Å
214S95Very high97.1Very high83 Ų8350.6 Ų50.658%0.5827%0.274SS*.THydrogen-bonded Turntrans-66.8-35.5-172.757.60000113.3E212E212-S214 WeakPolarHBondContact CG-OG 3.39Å
215T95.8Very high97.3Very high90 Ų9048 Ų4855%0.55226%0.263SS*.THydrogen-bonded Turntrans-105.1-19.7-176.762.30000113.2E212 W213 A217E212-T215 WeakPolarHBondContact OE2-CB 3.31Å; E212-T215 WeakPolarHBondContact OE2-CG2 3.23Å; E212-T215 PolarHBondContact OE2-OG1 3.49Å; W213-T215 PolarHBondContact O-N 3.21Å; T215-A217 PolarHBondContact O-N 2.79Å; T215-A217 VanDerWaalsContact OG1-CB 3.27Å; T215-A217 WeakPolarHBondContact OG1-CB 3.49Å; T215-A217 PolarHBondContact OG1-N 3.34Å; T215-A217 VanDerWaalsContact OG1-N 3.16Å
216G95.9Very high97.4Very high26 Ų2650.1 Ų50.127%0.26828%0.278SS..  trans68.57.7-168.200000113.6E212E212-G216 VanDerWaalsContact O-CA 3.26Å; E212-G216 WeakPolarHBondContact O-CA 3.21Å; E212-G216 PolarHBondContact O-N 2.88Å
217A97.2Very high97.4Very high46 Ų4648.2 Ų48.238%0.3827%0.271SS..  trans-74.2141.1-17700000111.2W211 E212 T215 I219W211-A217 CarbonylContact C-O 3.55Å; W211-A217 VanDerWaalsContact CA-O 3.24Å; W211-A217 WeakPolarHBondContact CA-O 3.47Å; E212-A217 PolarHBondContact N-O 2.88Å; T215-A217 PolarHBondContact O-N 2.79Å; T215-A217 VanDerWaalsContact OG1-CB 3.27Å; T215-A217 WeakPolarHBondContact OG1-CB 3.49Å; T215-A217 PolarHBondContact OG1-N 3.34Å; T215-A217 VanDerWaalsContact OG1-N 3.16Å; A217-I219 PolarHBondContact O-N 2.81Å
218K97.6Very high97.3Very high102 Ų10247.9 Ų47.944%0.44327%0.27SS..EExtended strand (participates in β ladder)trans-75.8109.2167.8-173.5-178-63.7174.80108.8A209 C210 W211 Q221A209-K218 HydrophobicContact CB-CD 4.23Å; A209-K218 HydrophobicContact CB-CG 4.27Å; C210-K218 CarbonylContact O-C 3.57Å; W211-K218 HydrophobicContact CD2-CB 4.36Å; W211-K218 HydrophobicContact CD2-CG 4.5Å; W211-K218 HydrophobicContact CE3-CB 3.69Å; W211-K218 HydrophobicContact CE3-CG 4.26Å; W211-K218 HydrophobicContact CH2-CB 4.32Å; W211-K218 HydrophobicContact CH2-CD 4.35Å; W211-K218 HydrophobicContact CH2-CG 4.43Å; W211-K218 HydrophobicContact CZ3-CB 3.69Å; W211-K218 HydrophobicContact CZ3-CG 4.24Å; K218-Q221 HydrophobicContact CD-CB 4.48Å
219I97.1Very high97.3Very high89 Ų8947.8 Ų47.846%0.45627%0.27SS..EExtended strand (participates in β ladder)trans-88.6-29.3-178.160.9174.1000112.7C210 E212 A217C210-I219 HydrophobicContact CB-CD1 4.37Å; C210-I219 HydrophobicContact CB-CG1 3.87Å; C210-I219 WeakPolarHBondContact O-CG1 3.37Å; C210-I219 PolarHBondContact O-N 3.3Å; E212-I219 HydrophobicContact CB-CG2 3.92Å; A217-I219 PolarHBondContact O-N 2.81Å
220Q97.8Very high97.1Very high50 Ų5048.9 Ų48.923%0.23428%0.275CS..EExtended strand (participates in β ladder)trans-146.4151.6177.8-166.653.356.800111.8A209 C210 F222 S256 G258A209-Q220 WeakPolarHBondContact CA-O 3.44Å; C210-Q220 HydrophobicContact CB-CB 3.96Å; C210-Q220 PolarHBondContact N-O 2.86Å; C210-Q220 PolarHBondContact O-N 2.95Å; Q220-F222 HydrophobicContact CB-CE2 4.1Å; Q220-F222 HydrophobicContact CB-CZ 4.12Å; Q220-F222 HydrophobicContact CG-CD2 4.49Å; Q220-F222 HydrophobicContact CG-CE1 4.03Å; Q220-F222 HydrophobicContact CG-CE2 3.8Å; Q220-F222 HydrophobicContact CG-CZ 3.51Å; Q220-S256 PolarHBondContact OE1-O 2.86Å; Q220-G258 VanDerWaalsContact NE2-CA 3.34Å
221Q97.4Very high97Very high51 Ų5148.9 Ų48.924%0.23828%0.275CS..EExtended strand (participates in β ladder)trans-130.8142.6169.8-168.3176.812.200110.3K218 R223K218-Q221 HydrophobicContact CD-CB 4.48Å; Q221-R223 VanDerWaalsContact CD-NE 3.3Å; Q221-R223 HydrophobicContact CG-CG 4.23Å; Q221-R223 VanDerWaalsContact NE2-NE 3.15Å
222F98.4Very high97Very high1 Ų148.6 Ų48.60%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-122.2120.8177.5-43.5-103000108.8I208 C210 Q220 L241 W253 S254 L255I208-F222 HydrophobicContact CB-CB 4.03Å; I208-F222 HydrophobicContact CB-CD2 3.82Å; I208-F222 HydrophobicContact CB-CG 4.26Å; I208-F222 HydrophobicContact CG2-CD2 3.72Å; I208-F222 HydrophobicContact CG2-CE2 4.26Å; I208-F222 HydrophobicContact CG2-CG 4.45Å; I208-F222 PolarHBondContact N-O 2.98Å; I208-F222 VanDerWaalsContact N-O 3.16Å; I208-F222 PolarHBondContact O-N 3.01Å; C210-F222 HydrophobicContact CB-CE2 4.33Å; Q220-F222 HydrophobicContact CB-CE2 4.1Å; Q220-F222 HydrophobicContact CB-CZ 4.12Å; Q220-F222 HydrophobicContact CG-CD2 4.49Å; Q220-F222 HydrophobicContact CG-CE1 4.03Å; Q220-F222 HydrophobicContact CG-CE2 3.8Å; Q220-F222 HydrophobicContact CG-CZ 3.51Å; F222-L241 HydrophobicContact CD2-CD1 4.37Å; F222-L241 HydrophobicContact CE1-CD1 4.28Å; F222-L241 HydrophobicContact CE2-CD1 3.86Å; F222-L241 HydrophobicContact CZ-CD1 3.82Å; F222-W253 HydrophobicContact CB-CD2 3.94Å; F222-W253 HydrophobicContact CB-CE3 3.76Å; F222-W253 HydrophobicContact CB-CH2 4.34Å; F222-W253 HydrophobicContact CB-CZ2 4.48Å; F222-W253 HydrophobicContact CB-CZ3 3.98Å; F222-W253 HydrophobicContact CD1-CB 3.62Å; F222-W253 HydrophobicContact CD1-CD2 4.02Å; F222-W253 HydrophobicContact CD1-CE3 4.09Å; F222-W253 AromaticContact CD1-CG 3.85Å; F222-W253 HydrophobicContact CD1-CG 3.85Å; F222-W253 HydrophobicContact CE1-CB 3.94Å; F222-W253 HydrophobicContact CG-CD2 4.39Å; F222-W253 HydrophobicContact CG-CE3 4.44Å; F222-S254 WeakPolarHBondContact CE1-O 3.45Å; F222-L255 HydrophobicContact CZ-CD1 4.25Å
223R97.4Very high96.9Very high178 Ų17845.8 Ų45.867%0.67226%0.262SS*.  trans-124136.6-179-62.7-173.2-175.1-175.74.8109.6T207 Q221 W253T207-R223 HydrophobicContact CG2-CG 4.28Å; Q221-R223 VanDerWaalsContact CD-NE 3.3Å; Q221-R223 HydrophobicContact CG-CG 4.23Å; Q221-R223 VanDerWaalsContact NE2-NE 3.15Å; R223-W253 WeakPolarHBondContact O-CZ3 3.2Å
224G97.1Very high96.9Very high40 Ų4046.4 Ų46.441%0.41227%0.265SS..  trans153.9-17.9176.400000114.6K251G224-K251 VanDerWaalsContact O-CE 3.26Å; G224-K251 WeakPolarHBondContact O-CE 3.42Å
225H98.3Very high96.8Very high12 Ų1243.8 Ų43.86%0.05624%0.244CC..  trans-67.7147165.2-81.8-57.8000110.5N206 V229 S243 S245 D247 W253N206-H225 HydrophobicContact CB-CB 4.49Å; N206-H225 WeakPolarHBondContact CB-O 3.43Å; H225-V229 HydrophobicContact CB-CG2 4.21Å; H225-S243 PolarHBondContact CD2-OG 3.43Å; H225-S243 PolarHBondContact NE2-OG 2.84Å; H225-S245 WeakPolarHBondContact CE1-CB 3.14Å; H225-S245 WeakPolarHBondContact ND1-CB 3.28Å; H225-S245 PolarHBondContact ND1-OG 3.49Å; H225-D247 VanDerWaalsContact CA-OD2 3.23Å; H225-D247 WeakPolarHBondContact CA-OD2 3.24Å; H225-D247 VanDerWaalsContact CB-OD2 3.31Å; H225-D247 WeakPolarHBondContact CB-OD2 3.45Å; H225-D247 IonicContact CE1-OD1 3.75Å; H225-D247 IonicContact CE1-OD2 2.8Å; H225-D247 IonicContact CG-OD2 2.72Å; H225-D247 IonicContact ND1-OD1 3.8Å; H225-D247 PolarHBondContact ND1-OD1 2.84Å; H225-D247 IonicContact ND1-OD2 3.5Å; H225-D247 PolarHBondContact ND1-OD2 3.25Å; H225-W253 AromaticContact CD2-CZ2 3.74Å
226T98.1Very high96.7Very high116 Ų11643.6 Ų43.671%0.71224%0.24SC*.SBendtrans-109.21.617856.10000112.6N206 D247N206-T226 PolarHBondContact ND2-O 2.79Å; T226-D247 PolarHBondContact N-OD2 3.09Å; T226-D247 VanDerWaalsContact OG1-CB 3.24Å; T226-D247 WeakPolarHBondContact OG1-CB 3.22Å
227G97.8Very high96.4Very high12 Ų1248.9 Ų48.912%0.12426%0.257CS..SBendtrans-138.2171.9173.800000111.8N206 S245N206-G227 WeakPolarHBondContact CA-O 3.16Å; N206-G227 WeakPolarHBondContact CB-O 3.31Å; N206-G227 VanDerWaalsContact CG-C 3.46Å; N206-G227 VanDerWaalsContact OD1-CA 3.32Å; N206-G227 WeakPolarHBondContact OD1-CA 3.39Å; N206-G227 PolarHBondContact OD1-O 2.94Å; G227-S245 PolarHBondContact O-OG 2.78Å; G227-S245 VanDerWaalsContact O-OG 3.07Å
228A96.4Very high96Very high13 Ų1350 Ų5011%0.10726%0.257CS..  trans-57.9137.2-178.100000111.7F204 N206 F230 S245 A246F204-A228 HydrophobicContact CB-CB 4.46Å; F204-A228 HydrophobicContact CD1-CB 3.9Å; N206-A228 PolarHBondContact OD1-N 2.92Å; N206-A228 VanDerWaalsContact OD1-N 3.13Å; A228-F230 HydrophobicContact CB-CD1 4.23Å; A228-F230 HydrophobicContact CB-CE1 3.53Å; A228-F230 HydrophobicContact CB-CZ 3.92Å; A228-S245 CarbonylContact O-C 3.57Å; A228-S245 WeakPolarHBondContact O-CA 3.45Å; A228-S245 PolarHBondContact O-OG 2.8Å; A228-A246 HydrophobicContact CB-CB 4.27Å; A228-A246 PolarHBondContact O-N 2.88Å
229V97.5Very high95.8Very high0 Ų047.6 Ų47.60%025%0.249CC..EExtended strand (participates in β ladder)trans-89.4113.6179.8-175.90000109.4A190 S203 I208 H225 V232A190-V229 VanDerWaalsContact CB-O 3.28Å; A190-V229 WeakPolarHBondContact CB-O 3.46Å; S203-V229 PolarHBondContact O-N 3.11Å; I208-V229 HydrophobicContact CD1-CG1 4.05Å; I208-V229 HydrophobicContact CD1-CG2 4.37Å; I208-V229 HydrophobicContact CG1-CB 4.3Å; I208-V229 HydrophobicContact CG1-CG1 3.91Å; I208-V229 HydrophobicContact CG1-CG2 3.97Å; H225-V229 HydrophobicContact CB-CG2 4.21Å; V229-V232 HydrophobicContact CG1-CG1 3.86Å
230F95.5Very high95.7Very high22 Ų2243.9 Ų43.910%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-98.2-20.5-173.1-63.9-36.2000114.4T191 F204 A228 G244 A246 W270 R411T191-F230 WeakPolarHBondContact CB-O 3.17Å; F204-F230 HydrophobicContact CD1-CE1 4.48Å; F204-F230 HydrophobicContact CE1-CE1 4.26Å; A228-F230 HydrophobicContact CB-CD1 4.23Å; A228-F230 HydrophobicContact CB-CE1 3.53Å; A228-F230 HydrophobicContact CB-CZ 3.92Å; F230-G244 PolarHBondContact N-O 3.29Å; F230-A246 HydrophobicContact CD2-CB 4.42Å; F230-A246 HydrophobicContact CE2-CB 3.57Å; F230-A246 HydrophobicContact CZ-CB 3.77Å; F230-W270 HydrophobicContact CD2-CB 4.22Å; F230-W270 HydrophobicContact CE2-CB 3.88Å; F230-W270 AromaticContact CE2-CD2 3.79Å; F230-W270 HydrophobicContact CE2-CD2 3.79Å; F230-W270 AromaticContact CE2-CE3 3.79Å; F230-W270 HydrophobicContact CE2-CE3 3.79Å; F230-W270 AromaticContact CE2-CG 3.83Å; F230-W270 HydrophobicContact CE2-CG 3.83Å; F230-W270 HydrophobicContact CZ-CD2 4.35Å; F230-W270 HydrophobicContact CZ-CE3 4.18Å; F230-R411 VanDerWaalsContact CD1-NH1 3.34Å
231S95.8Very high95.7Very high4 Ų441.5 Ų41.53%0.02822%0.219CC..EExtended strand (participates in β ladder)trans-148.6140.2178.9-169.20000110.1S243 G244 V274S231-S243 CarbonylContact O-C 3.54Å; S231-S243 VanDerWaalsContact O-CA 3.27Å; S231-S243 WeakPolarHBondContact O-CA 3.18Å; S231-G244 PolarHBondContact N-O 3.44Å; S231-G244 PolarHBondContact O-N 2.91Å; S231-V274 WeakPolarHBondContact OG-CG2 3.44Å; S231-V274 PolarHBondContact OG-N 2.77Å; S231-V274 PolarHBondContact OG-O 2.7Å
232V97.4Very high95.7Very high8 Ų839.1 Ų39.15%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-131.1147.4172.1-64.20000109.5T191 K193 V200 I208 V229 V242T191-V232 HydrophobicContact CG2-CB 4.25Å; T191-V232 HydrophobicContact CG2-CG1 3.82Å; T191-V232 HydrophobicContact CG2-CG2 3.79Å; K193-V232 HydrophobicContact CB-CG2 4.27Å; V200-V232 HydrophobicContact CG1-CB 4.29Å; V200-V232 HydrophobicContact CG1-CG2 3.97Å; I208-V232 HydrophobicContact CD1-CG1 4.19Å; I208-V232 HydrophobicContact CG1-CG1 4.25Å; I208-V232 HydrophobicContact CG2-CG1 4.2Å; V229-V232 HydrophobicContact CG1-CG1 3.86Å; V232-V242 VanDerWaalsContact CA-O 3.32Å; V232-V242 WeakPolarHBondContact CA-O 3.43Å
233D96.6Very high95.7Very high13 Ų1339 Ų397%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-142.1156167.7-156.7-28.9000108K193 L241 V242 V274 L276K193-D233 WeakPolarHBondContact CE-OD1 3.31Å; K193-D233 IonicContact NZ-OD1 3.89Å; K193-D233 PolarHBondContact NZ-OD1 3.25Å; K193-D233 IonicContact NZ-OD2 3.36Å; K193-D233 PolarHBondContact NZ-OD2 3.21Å; D233-L241 CarbonylContact O-C 3.48Å; D233-L241 WeakPolarHBondContact O-CA 3.36Å; D233-V242 HydrophobicContact CB-CG2 3.57Å; D233-V242 PolarHBondContact N-O 3.07Å; D233-V242 WeakPolarHBondContact O-CG2 3.24Å; D233-V242 PolarHBondContact O-N 2.83Å; D233-V274 HydrophobicContact CB-CG2 4.3Å; D233-L276 HydrophobicContact CB-CB 3.96Å; D233-L276 PolarHBondContact OD2-N 2.88Å
234Y95.6Very high95.7Very high19 Ų1930.6 Ų30.68%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-149.8160177.771.8-91.1000111.8K193 D195 V200 D236 V240 L255K193-Y234 HydrophobicContact CB-CD1 4.37Å; K193-Y234 HydrophobicContact CB-CE1 4.11Å; K193-Y234 HydrophobicContact CD-CD1 3.89Å; K193-Y234 HydrophobicContact CD-CE1 3.93Å; K193-Y234 HydrophobicContact CG-CD1 4.12Å; K193-Y234 HydrophobicContact CG-CE1 3.72Å; D195-Y234 WeakPolarHBondContact CB-OH 3.43Å; D195-Y234 PolarHBondContact N-OH 2.97Å; D195-Y234 PolarHBondContact OD2-OH 3.33Å; V200-Y234 HydrophobicContact CB-CD1 4.3Å; V200-Y234 HydrophobicContact CB-CE1 4.39Å; V200-Y234 HydrophobicContact CG2-CD1 3.75Å; V200-Y234 HydrophobicContact CG2-CE1 3.83Å; V200-Y234 HydrophobicContact CG2-CG 4.45Å; Y234-D236 WeakPolarHBondContact CE2-OD2 3.3Å; Y234-V240 CarbonylContact C-O 3.5Å; Y234-V240 VanDerWaalsContact CA-O 3.22Å; Y234-V240 WeakPolarHBondContact CA-O 3.41Å; Y234-V240 WeakPolarHBondContact CB-O 3.4Å; Y234-L255 HydrophobicContact CD2-CD2 3.94Å; Y234-L255 HydrophobicContact CG-CD2 4.49Å
235N93.1Very high95.7Very high27 Ų2728.7 Ų28.714%0.14416%0.156CC..EExtended strand (participates in β ladder)trans-140123.4172.5-175.3-85.6000109.9E237 L238 D239 V240 L276 Y291N235-E237 WeakPolarHBondContact OD1-CB 3.4Å; N235-E237 PolarHBondContact OD1-N 2.79Å; N235-L238 HydrophobicContact CB-CB 4.28Å; N235-L238 HydrophobicContact CB-CD1 4.37Å; N235-L238 HydrophobicContact CB-CG 4.41Å; N235-L238 WeakPolarHBondContact OD1-CG 3.32Å; N235-L238 PolarHBondContact OD1-N 2.77Å; N235-D239 PolarHBondContact O-N 2.75Å; N235-V240 PolarHBondContact N-O 2.9Å; N235-V240 PolarHBondContact O-N 3.23Å; N235-V240 VanDerWaalsContact O-N 3.07Å; N235-L276 HydrophobicContact CB-CD2 3.63Å; N235-L276 HydrophobicContact CB-CG 4.48Å; N235-Y291 HydrophobicContact CB-CE1 4.43Å; N235-Y291 WeakPolarHBondContact ND2-CE1 3.45Å; N235-Y291 PolarHBondContact ND2-OH 2.9Å
236D92.4Very high95.7Very high87 Ų8729 Ų2947%0.46516%0.161SC..THydrogen-bonded Turntrans-69.6-38.9-178.9-78.8-58.3000113.7K198 Y234 L238 D239 L255K198-D236 VanDerWaalsContact NZ-CG 3.29Å; K198-D236 IonicContact NZ-OD1 3.61Å; K198-D236 PolarHBondContact NZ-OD1 3.29Å; K198-D236 IonicContact NZ-OD2 3.96Å; K198-D236 PolarHBondContact NZ-OD2 2.96Å; Y234-D236 WeakPolarHBondContact CE2-OD2 3.3Å; D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.47Å; D236-D239 PolarHBondContact O-N 3.08Å; D236-D239 VanDerWaalsContact O-N 3.11Å; D236-L255 VanDerWaalsContact OD1-CD2 3.3Å; D236-L255 WeakPolarHBondContact OD1-CD2 3.24Å
237E90Very high95.7Very high137 Ų13724.8 Ų24.864%0.6413%0.134SC*.THydrogen-bonded Turntrans-64.5-35.2-178.7-57.4175160.900111.9N235 R278 Y291N235-E237 WeakPolarHBondContact OD1-CB 3.4Å; N235-E237 PolarHBondContact OD1-N 2.79Å; E237-R278 VanDerWaalsContact CD-NH2 3.26Å; E237-R278 IonicContact OE1-NH2 3.52Å; E237-R278 PolarHBondContact OE1-NH2 3.03Å; E237-R278 VanDerWaalsContact OE1-NH2 3.1Å; E237-R278 IonicContact OE2-CZ 2.72Å; E237-R278 IonicContact OE2-NH2 3.38Å; E237-R278 PolarHBondContact OE2-NH2 3.4Å; E237-Y291 PolarHBondContact OE2-OH 2.77Å
238L89.5Confident95.6Very high69 Ų6928.2 Ų28.236%0.36115%0.145SC..THydrogen-bonded Turntrans-83.4-10.5176.8-65.7-175.7000113.5N235 D236 V240 Y291N235-L238 HydrophobicContact CB-CB 4.28Å; N235-L238 HydrophobicContact CB-CD1 4.37Å; N235-L238 HydrophobicContact CB-CG 4.41Å; N235-L238 WeakPolarHBondContact OD1-CG 3.32Å; N235-L238 PolarHBondContact OD1-N 2.77Å; D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.47Å; L238-V240 HydrophobicContact CB-CB 4.02Å; L238-V240 HydrophobicContact CB-CG2 4.03Å; L238-V240 WeakPolarHBondContact O-CG2 3.27Å; L238-V240 PolarHBondContact O-N 3.42Å; L238-Y291 HydrophobicContact CD1-CD1 4.03Å; L238-Y291 HydrophobicContact CD1-CD2 3.45Å; L238-Y291 VanDerWaalsContact CD1-CD2 3.45Å; L238-Y291 HydrophobicContact CD1-CE1 4.47Å; L238-Y291 HydrophobicContact CD1-CE2 3.91Å; L238-Y291 HydrophobicContact CD1-CG 3.48Å; L238-Y291 VanDerWaalsContact CD1-CG 3.48Å; L238-Y291 HydrophobicContact CD2-CD2 3.91Å; L238-Y291 HydrophobicContact CD2-CE2 4.01Å; L238-Y291 HydrophobicContact CG-CD2 3.84Å; L238-Y291 HydrophobicContact CG-CE2 3.83Å; L238-Y291 HydrophobicContact CG-CG 4.33Å
239D93.3Very high95.7Very high52 Ų5228.6 Ų28.628%0.27815%0.146SC..THydrogen-bonded Turntrans51.838.9-165.5-171.246.3000112.7N235 D236 S254 L255 S256N235-D239 PolarHBondContact O-N 2.75Å; D236-D239 PolarHBondContact O-N 3.08Å; D236-D239 VanDerWaalsContact O-N 3.11Å; D239-S254 CarbonylContact O-C 3.51Å; D239-S254 WeakPolarHBondContact O-CA 3.36Å; D239-S254 PolarHBondContact OD2-OG 3.46Å; D239-L255 PolarHBondContact O-N 2.85Å; D239-L255 WeakPolarHBondContact OD1-CB 3.35Å; D239-L255 PolarHBondContact OD1-N 2.74Å; D239-S256 VanDerWaalsContact CG-OG 3.24Å; D239-S256 WeakPolarHBondContact OD1-CB 3.47Å; D239-S256 PolarHBondContact OD1-N 2.77Å; D239-S256 PolarHBondContact OD1-OG 2.99Å; D239-S256 PolarHBondContact OD2-OG 3.06Å
240V94.3Very high95.7Very high11 Ų1128.6 Ų28.67%0.06715%0.146CC..EExtended strand (participates in β ladder)trans-120.2133.4-173.81670000111.7Y234 N235 L238 V242 V252 W253 L276Y234-V240 CarbonylContact C-O 3.5Å; Y234-V240 VanDerWaalsContact CA-O 3.22Å; Y234-V240 WeakPolarHBondContact CA-O 3.41Å; Y234-V240 WeakPolarHBondContact CB-O 3.4Å; N235-V240 PolarHBondContact N-O 2.9Å; N235-V240 PolarHBondContact O-N 3.23Å; N235-V240 VanDerWaalsContact O-N 3.07Å; L238-V240 HydrophobicContact CB-CB 4.02Å; L238-V240 HydrophobicContact CB-CG2 4.03Å; L238-V240 WeakPolarHBondContact O-CG2 3.27Å; L238-V240 PolarHBondContact O-N 3.42Å; V240-V242 HydrophobicContact CG1-CG1 3.83Å; V240-V252 HydrophobicContact CG1-CG1 3.73Å; V240-V252 HydrophobicContact CG2-CG1 4.39Å; V240-W253 WeakPolarHBondContact CA-O 3.02Å; V240-L276 HydrophobicContact CG1-CD2 4.44Å
241L97.3Very high95.8Very high0 Ų028.6 Ų28.60%015%0.146CC..EExtended strand (participates in β ladder)trans-112.4140.6160.8-173.7154.1000108.7V200 I208 F222 D233 V252 W253 L255V200-L241 HydrophobicContact CG1-CD1 3.55Å; V200-L241 HydrophobicContact CG2-CD1 4.38Å; I208-L241 HydrophobicContact CD1-CD2 3.94Å; I208-L241 HydrophobicContact CG2-CD1 4.03Å; I208-L241 HydrophobicContact CG2-CD2 4.27Å; F222-L241 HydrophobicContact CD2-CD1 4.37Å; F222-L241 HydrophobicContact CE1-CD1 4.28Å; F222-L241 HydrophobicContact CE2-CD1 3.86Å; F222-L241 HydrophobicContact CZ-CD1 3.82Å; D233-L241 CarbonylContact O-C 3.48Å; D233-L241 WeakPolarHBondContact O-CA 3.36Å; L241-V252 CarbonylContact O-C 3.5Å; L241-V252 WeakPolarHBondContact O-CA 3.28Å; L241-W253 HydrophobicContact CB-CB 4.25Å; L241-W253 HydrophobicContact CD2-CG 4.17Å; L241-W253 PolarHBondContact N-O 2.82Å; L241-W253 VanDerWaalsContact O-CD1 3.3Å; L241-W253 PolarHBondContact O-N 3.37Å; L241-L255 HydrophobicContact CB-CD1 4.09Å; L241-L255 HydrophobicContact CD1-CD1 3.98Å
242V97.3Very high95.8Very high0 Ų028.4 Ų28.40%015%0.145CC..EExtended strand (participates in β ladder)trans-121.3145.4173.2-62.30000110.2V232 D233 V240 K251 V252 V274 L276 L293 L306V232-V242 VanDerWaalsContact CA-O 3.32Å; V232-V242 WeakPolarHBondContact CA-O 3.43Å; D233-V242 HydrophobicContact CB-CG2 3.57Å; D233-V242 PolarHBondContact N-O 3.07Å; D233-V242 WeakPolarHBondContact O-CG2 3.24Å; D233-V242 PolarHBondContact O-N 2.83Å; V240-V242 HydrophobicContact CG1-CG1 3.83Å; V242-K251 CarbonylContact C-O 3.58Å; V242-K251 VanDerWaalsContact CA-O 3.28Å; V242-K251 WeakPolarHBondContact CA-O 3.19Å; V242-V252 HydrophobicContact CG1-CG1 4.47Å; V242-V252 HydrophobicContact CG1-CG2 4.28Å; V242-V274 HydrophobicContact CG2-CB 4.39Å; V242-V274 HydrophobicContact CG2-CG2 4.06Å; V242-L276 HydrophobicContact CG2-CB 4.16Å; V242-L293 HydrophobicContact CB-CD1 4.02Å; V242-L293 HydrophobicContact CG1-CD1 4.1Å; V242-L293 HydrophobicContact CG1-CD2 4.03Å; V242-L293 HydrophobicContact CG2-CD1 3.84Å; V242-L306 HydrophobicContact CG1-CD1 4.48Å
243S98.3Very high95.8Very high0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-144.5139.1-17957.70000113.1I208 H225 S231 V250 K251 W253I208-S243 WeakPolarHBondContact CD1-OG 3.44Å; H225-S243 PolarHBondContact CD2-OG 3.43Å; H225-S243 PolarHBondContact NE2-OG 2.84Å; S231-S243 CarbonylContact O-C 3.54Å; S231-S243 VanDerWaalsContact O-CA 3.27Å; S231-S243 WeakPolarHBondContact O-CA 3.18Å; S243-V250 CarbonylContact O-C 3.42Å; S243-V250 WeakPolarHBondContact O-CA 3.17Å; S243-V250 WeakPolarHBondContact O-CG1 3.49Å; S243-K251 PolarHBondContact N-O 2.64Å; S243-K251 PolarHBondContact O-N 3.39Å; S243-W253 PolarHBondContact OG-NE1 2.81Å
244G97.6Very high95.8Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-108.1137.317300000111.3F230 S231 V271F230-G244 PolarHBondContact N-O 3.29Å; S231-G244 PolarHBondContact N-O 3.44Å; S231-G244 PolarHBondContact O-N 2.91Å; G244-V271 CarbonylContact C-O 3.59Å
245S97.9Very high95.7Very high0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-133.2160.9-169171.60000114.1H225 G227 A228 D247 F248 T249 V271H225-S245 WeakPolarHBondContact CE1-CB 3.14Å; H225-S245 WeakPolarHBondContact ND1-CB 3.28Å; H225-S245 PolarHBondContact ND1-OG 3.49Å; G227-S245 PolarHBondContact O-OG 2.78Å; G227-S245 VanDerWaalsContact O-OG 3.07Å; A228-S245 CarbonylContact O-C 3.57Å; A228-S245 WeakPolarHBondContact O-CA 3.45Å; A228-S245 PolarHBondContact O-OG 2.8Å; S245-D247 VanDerWaalsContact CB-OD1 3.26Å; S245-D247 WeakPolarHBondContact CB-OD1 3.44Å; S245-D247 PolarHBondContact O-N 2.54Å; S245-D247 PolarHBondContact OG-N 2.91Å; S245-D247 VanDerWaalsContact OG-N 3.1Å; S245-D247 PolarHBondContact OG-OD1 2.92Å; S245-D247 PolarHBondContact OG-OD2 2.89Å; S245-F248 PolarHBondContact O-N 3.49Å; S245-T249 PolarHBondContact N-O 2.89Å; S245-V271 PolarHBondContact O-N 2.79Å
246A97.3Very high95.8Very high19 Ų1930.2 Ų30.216%0.15716%0.163CC..THydrogen-bonded Turntrans-64.6-10.6168.200000113.7A228 F230 F248 W270A228-A246 HydrophobicContact CB-CB 4.27Å; A228-A246 PolarHBondContact O-N 2.88Å; F230-A246 HydrophobicContact CD2-CB 4.42Å; F230-A246 HydrophobicContact CE2-CB 3.57Å; F230-A246 HydrophobicContact CZ-CB 3.77Å; A246-F248 WeakPolarHBondContact O-CD1 3.43Å; A246-F248 PolarHBondContact O-N 3.42Å; A246-W270 HydrophobicContact CB-CD2 4.45Å; A246-W270 HydrophobicContact CB-CG 4.15Å; A246-W270 PolarHBondContact O-NE1 3.21Å
247D98.2Very high96Very high27 Ų2729.1 Ų29.114%0.14417%0.166CC..THydrogen-bonded Turntrans-81.89.2171.963.928.6000114.2H225 T226 S245 T249H225-D247 VanDerWaalsContact CA-OD2 3.23Å; H225-D247 WeakPolarHBondContact CA-OD2 3.24Å; H225-D247 VanDerWaalsContact CB-OD2 3.31Å; H225-D247 WeakPolarHBondContact CB-OD2 3.45Å; H225-D247 IonicContact CE1-OD1 3.75Å; H225-D247 IonicContact CE1-OD2 2.8Å; H225-D247 IonicContact CG-OD2 2.72Å; H225-D247 IonicContact ND1-OD1 3.8Å; H225-D247 PolarHBondContact ND1-OD1 2.84Å; H225-D247 IonicContact ND1-OD2 3.5Å; H225-D247 PolarHBondContact ND1-OD2 3.25Å; T226-D247 PolarHBondContact N-OD2 3.09Å; T226-D247 VanDerWaalsContact OG1-CB 3.24Å; T226-D247 WeakPolarHBondContact OG1-CB 3.22Å; S245-D247 VanDerWaalsContact CB-OD1 3.26Å; S245-D247 WeakPolarHBondContact CB-OD1 3.44Å; S245-D247 PolarHBondContact O-N 2.54Å; S245-D247 PolarHBondContact OG-N 2.91Å; S245-D247 VanDerWaalsContact OG-N 3.1Å; S245-D247 PolarHBondContact OG-OD1 2.92Å; S245-D247 PolarHBondContact OG-OD2 2.89Å; D247-T249 PolarHBondContact O-N 2.78Å; D247-T249 WeakPolarHBondContact OD1-CB 3.46Å; D247-T249 PolarHBondContact OD1-N 3.35Å; D247-T249 PolarHBondContact OD1-OG1 2.78Å
248F97.6Very high96.3Very high84 Ų8423.1 Ų23.137%0.36814%0.141SC..SBendtrans66.914179-42.4-33.8000114.1S245 A246 H267 E269 W270S245-F248 PolarHBondContact O-N 3.49Å; A246-F248 WeakPolarHBondContact O-CD1 3.43Å; A246-F248 PolarHBondContact O-N 3.42Å; F248-H267 WeakPolarHBondContact O-CB 3.48Å; F248-E269 WeakPolarHBondContact CD1-O 3.46Å; F248-W270 AromaticContact CD1-CD1 3.79Å; F248-W270 AromaticContact CE1-CD1 3.35Å; F248-W270 HydrophobicContact CE1-CG 4.35Å; F248-W270 AromaticContact CE1-NE1 3.85Å
249T97.6Very high96.6Very high21 Ų2122.2 Ų22.213%0.12914%0.143CC..  trans-113.2154.7177.672.70000112.2S245 D247 T263 T265S245-T249 PolarHBondContact N-O 2.89Å; D247-T249 PolarHBondContact O-N 2.78Å; D247-T249 WeakPolarHBondContact OD1-CB 3.46Å; D247-T249 PolarHBondContact OD1-N 3.35Å; D247-T249 PolarHBondContact OD1-OG1 2.78Å; T249-T263 HydrophobicContact CG2-CG2 3.97Å; T249-T265 HydrophobicContact CG2-CG2 4.3Å
250V97.7Very high96.7Very high0 Ų022.3 Ų22.30%015%0.147CC..EExtended strand (participates in β ladder)trans-104133160.6178.40000108S243 L264 V271 V274 L293S243-V250 CarbonylContact O-C 3.42Å; S243-V250 WeakPolarHBondContact O-CA 3.17Å; S243-V250 WeakPolarHBondContact O-CG1 3.49Å; V250-L264 HydrophobicContact CB-CB 4.11Å; V250-L264 HydrophobicContact CB-CD1 4.24Å; V250-L264 HydrophobicContact CB-CG 4.49Å; V250-L264 HydrophobicContact CG1-CD1 4.06Å; V250-L264 PolarHBondContact N-O 3.33Å; V250-L264 PolarHBondContact O-N 3.08Å; V250-V271 HydrophobicContact CG2-CG1 3.85Å; V250-V271 HydrophobicContact CG2-CG2 4.18Å; V250-V274 HydrophobicContact CG1-CG1 4.16Å; V250-V274 HydrophobicContact CG2-CG1 4.09Å; V250-L293 HydrophobicContact CG1-CD2 4.04Å
251K97Very high96.7Very high23 Ų2325.3 Ų25.310%0.116%0.162CC..EExtended strand (participates in β ladder)trans-112.5141.9174-72.4179-175.1-77.20110.8G224 V242 S243 W253 N262 T263G224-K251 VanDerWaalsContact O-CE 3.26Å; G224-K251 WeakPolarHBondContact O-CE 3.42Å; V242-K251 CarbonylContact C-O 3.58Å; V242-K251 VanDerWaalsContact CA-O 3.28Å; V242-K251 WeakPolarHBondContact CA-O 3.19Å; S243-K251 PolarHBondContact N-O 2.64Å; S243-K251 PolarHBondContact O-N 3.39Å; K251-W253 HydrophobicContact CB-CD2 4.39Å; K251-W253 VanDerWaalsContact CB-CE2 3.5Å; K251-W253 HydrophobicContact CB-CH2 4.4Å; K251-W253 HydrophobicContact CB-CZ2 3.52Å; K251-W253 HydrophobicContact CD-CH2 3.59Å; K251-W253 HydrophobicContact CD-CZ2 3.36Å; K251-W253 HydrophobicContact CG-CZ2 4.06Å; K251-N262 WeakPolarHBondContact CA-O 3.47Å; K251-T263 HydrophobicContact CG-CG2 4.23Å; K251-T263 PolarHBondContact NZ-OG1 2.83Å
252V96.5Very high96.5Very high0 Ų026.9 Ų26.90%017%0.171CC..EExtended strand (participates in β ladder)trans-109.5128.7173.4-173.60000106.9V240 L241 V242 L261 N262 L264 L293 L306 I310V240-V252 HydrophobicContact CG1-CG1 3.73Å; V240-V252 HydrophobicContact CG2-CG1 4.39Å; L241-V252 CarbonylContact O-C 3.5Å; L241-V252 WeakPolarHBondContact O-CA 3.28Å; V242-V252 HydrophobicContact CG1-CG1 4.47Å; V242-V252 HydrophobicContact CG1-CG2 4.28Å; V252-L261 PolarHBondContact O-N 3.27Å; V252-N262 HydrophobicContact CB-CB 4.38Å; V252-N262 PolarHBondContact N-O 3.5Å; V252-N262 PolarHBondContact O-N 3.16Å; V252-N262 VanDerWaalsContact O-N 3.14Å; V252-L264 HydrophobicContact CG2-CD1 4.08Å; V252-L264 HydrophobicContact CG2-CG 4.3Å; V252-L293 HydrophobicContact CG2-CD2 4.47Å; V252-L306 HydrophobicContact CG1-CD2 4.29Å; V252-I310 HydrophobicContact CG1-CG2 4.41Å
253W96.9Very high96.4Very high2 Ų229.2 Ų29.21%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-125.5150.4-174.4-42.781.3000110.6I208 F222 R223 H225 V240 L241 S243 K251 L255 A259 C260I208-W253 HydrophobicContact CD1-CZ2 4.25Å; F222-W253 HydrophobicContact CB-CD2 3.94Å; F222-W253 HydrophobicContact CB-CE3 3.76Å; F222-W253 HydrophobicContact CB-CH2 4.34Å; F222-W253 HydrophobicContact CB-CZ2 4.48Å; F222-W253 HydrophobicContact CB-CZ3 3.98Å; F222-W253 HydrophobicContact CD1-CB 3.62Å; F222-W253 HydrophobicContact CD1-CD2 4.02Å; F222-W253 HydrophobicContact CD1-CE3 4.09Å; F222-W253 AromaticContact CD1-CG 3.85Å; F222-W253 HydrophobicContact CD1-CG 3.85Å; F222-W253 HydrophobicContact CE1-CB 3.94Å; F222-W253 HydrophobicContact CG-CD2 4.39Å; F222-W253 HydrophobicContact CG-CE3 4.44Å; R223-W253 WeakPolarHBondContact O-CZ3 3.2Å; H225-W253 AromaticContact CD2-CZ2 3.74Å; V240-W253 WeakPolarHBondContact CA-O 3.02Å; L241-W253 HydrophobicContact CB-CB 4.25Å; L241-W253 HydrophobicContact CD2-CG 4.17Å; L241-W253 PolarHBondContact N-O 2.82Å; L241-W253 VanDerWaalsContact O-CD1 3.3Å; L241-W253 PolarHBondContact O-N 3.37Å; S243-W253 PolarHBondContact OG-NE1 2.81Å; K251-W253 HydrophobicContact CB-CD2 4.39Å; K251-W253 VanDerWaalsContact CB-CE2 3.5Å; K251-W253 HydrophobicContact CB-CH2 4.4Å; K251-W253 HydrophobicContact CB-CZ2 3.52Å; K251-W253 HydrophobicContact CD-CH2 3.59Å; K251-W253 HydrophobicContact CD-CZ2 3.36Å; K251-W253 HydrophobicContact CG-CZ2 4.06Å; W253-L255 PolarHBondContact O-N 2.88Å; W253-A259 CarbonylContact C-O 3.58Å; W253-A259 WeakPolarHBondContact CA-O 3.4Å; W253-C260 HydrophobicContact CD2-CB 4.5Å; W253-C260 HydrophobicContact CE3-CB 3.64Å; W253-C260 HydrophobicContact CH2-CB 4.39Å; W253-C260 HydrophobicContact CZ3-CB 3.58Å
254S95.8Very high96.3Very high10 Ų1029.5 Ų29.57%0.0719%0.186CC..EExtended strand (participates in β ladder)trans-74119.7162.7161.80000107.6F222 D239 S256 A257 G258 A259F222-S254 WeakPolarHBondContact CE1-O 3.45Å; D239-S254 CarbonylContact O-C 3.51Å; D239-S254 WeakPolarHBondContact O-CA 3.36Å; D239-S254 PolarHBondContact OD2-OG 3.46Å; S254-S256 VanDerWaalsContact C-N 3.32Å; S254-S256 PolarHBondContact O-N 2.66Å; S254-S256 PolarHBondContact OG-OG 2.8Å; S254-A257 VanDerWaalsContact OG-CB 3.3Å; S254-A257 WeakPolarHBondContact OG-CB 3.37Å; S254-A257 PolarHBondContact OG-N 2.91Å; S254-A257 VanDerWaalsContact OG-N 3.08Å; S254-G258 WeakPolarHBondContact O-CA 3.1Å; S254-G258 PolarHBondContact O-N 3.17Å; S254-A259 PolarHBondContact N-O 2.71Å
255L95.3Very high96.1Very high12 Ų1234.3 Ų34.36%0.06322%0.216CC..THydrogen-bonded Turntrans-63.2-40.8-176.4-179.363.1000111.1F222 Y234 D236 D239 L241 W253F222-L255 HydrophobicContact CZ-CD1 4.25Å; Y234-L255 HydrophobicContact CD2-CD2 3.94Å; Y234-L255 HydrophobicContact CG-CD2 4.49Å; D236-L255 VanDerWaalsContact OD1-CD2 3.3Å; D236-L255 WeakPolarHBondContact OD1-CD2 3.24Å; D239-L255 PolarHBondContact O-N 2.85Å; D239-L255 WeakPolarHBondContact OD1-CB 3.35Å; D239-L255 PolarHBondContact OD1-N 2.74Å; L241-L255 HydrophobicContact CB-CD1 4.09Å; L241-L255 HydrophobicContact CD1-CD1 3.98Å; W253-L255 PolarHBondContact O-N 2.88Å
256S95.1Very high95.9Very high81 Ų8136.4 Ų36.457%0.56624%0.237SC*.THydrogen-bonded Turntrans-77.5-39.3179.665.30000114Q220 D239 S254Q220-S256 PolarHBondContact OE1-O 2.86Å; D239-S256 VanDerWaalsContact CG-OG 3.24Å; D239-S256 WeakPolarHBondContact OD1-CB 3.47Å; D239-S256 PolarHBondContact OD1-N 2.77Å; D239-S256 PolarHBondContact OD1-OG 2.99Å; D239-S256 PolarHBondContact OD2-OG 3.06Å; S254-S256 VanDerWaalsContact C-N 3.32Å; S254-S256 PolarHBondContact O-N 2.66Å; S254-S256 PolarHBondContact OG-OG 2.8Å
257A95.4Very high95.8Very high64 Ų6436 Ų3653%0.52923%0.233SC..THydrogen-bonded Turntrans-91.3-18.5-175.800000113.6S254 A259S254-A257 VanDerWaalsContact OG-CB 3.3Å; S254-A257 WeakPolarHBondContact OG-CB 3.37Å; S254-A257 PolarHBondContact OG-N 2.91Å; S254-A257 VanDerWaalsContact OG-N 3.08Å; A257-A259 HydrophobicContact CB-CB 4.39Å; A257-A259 PolarHBondContact O-N 3.41Å
258G95.9Very high95.7Very high11 Ų1137.5 Ų37.511%0.11324%0.243CC..  trans71.35.7-172.900000115.3Q220 S254Q220-G258 VanDerWaalsContact NE2-CA 3.34Å; S254-G258 WeakPolarHBondContact O-CA 3.1Å; S254-G258 PolarHBondContact O-N 3.17Å
259A96.3Very high95.6Very high49 Ų4936.5 Ų36.541%0.40524%0.239SC..  trans-80.5139.2-176.800000111.2W253 S254 A257 L261W253-A259 CarbonylContact C-O 3.58Å; W253-A259 WeakPolarHBondContact CA-O 3.4Å; S254-A259 PolarHBondContact N-O 2.71Å; A257-A259 HydrophobicContact CB-CB 4.39Å; A257-A259 PolarHBondContact O-N 3.41Å; A259-L261 PolarHBondContact O-N 3.26Å
260C95.9Very high95.5Very high55 Ų5541.6 Ų41.637%0.37226%0.256SS..EExtended strand (participates in β ladder)trans-72.7112.8170.3-171.90000108.9W253W253-C260 HydrophobicContact CD2-CB 4.5Å; W253-C260 HydrophobicContact CE3-CB 3.64Å; W253-C260 HydrophobicContact CH2-CB 4.39Å; W253-C260 HydrophobicContact CZ3-CB 3.58Å
261L93.9Very high95.4Very high73 Ų7341.6 Ų41.638%0.38226%0.256SS..EExtended strand (participates in β ladder)trans-84.2-38.3179.7-57.8175000111.5V252 A259 I310V252-L261 PolarHBondContact O-N 3.27Å; A259-L261 PolarHBondContact O-N 3.26Å; L261-I310 HydrophobicContact CB-CD1 4.25Å; L261-I310 HydrophobicContact CB-CG2 3.75Å; L261-I310 HydrophobicContact CD1-CD1 3.9Å; L261-I310 HydrophobicContact CG-CD1 4.48Å
262N93.6Very high95.3Very high34 Ų3441.6 Ų41.618%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-153.3156.6175.6-1624.1000112.5K251 V252 L264 I310K251-N262 WeakPolarHBondContact CA-O 3.47Å; V252-N262 HydrophobicContact CB-CB 4.38Å; V252-N262 PolarHBondContact N-O 3.5Å; V252-N262 PolarHBondContact O-N 3.16Å; V252-N262 VanDerWaalsContact O-N 3.14Å; N262-L264 WeakPolarHBondContact ND2-CD2 3.48Å; N262-I310 HydrophobicContact CB-CG2 3.73Å; N262-I310 PolarHBondContact ND2-O 2.95Å
263T95.2Very high95.2Very high49 Ų4945.5 Ų45.530%0.30128%0.275SS..EExtended strand (participates in β ladder)trans-120.4110.4169.8-590000108.8T249 K251 T265T249-T263 HydrophobicContact CG2-CG2 3.97Å; K251-T263 HydrophobicContact CG-CG2 4.23Å; K251-T263 PolarHBondContact NZ-OG1 2.83Å; T263-T265 HydrophobicContact CG2-CG2 4.22Å
264L95.2Very high95.2Very high5 Ų545.5 Ų45.53%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-86.4115.9177.7-46.1178.1000108.8V250 V252 N262 L293 W304 C312V250-L264 HydrophobicContact CB-CB 4.11Å; V250-L264 HydrophobicContact CB-CD1 4.24Å; V250-L264 HydrophobicContact CB-CG 4.49Å; V250-L264 HydrophobicContact CG1-CD1 4.06Å; V250-L264 PolarHBondContact N-O 3.33Å; V250-L264 PolarHBondContact O-N 3.08Å; V252-L264 HydrophobicContact CG2-CD1 4.08Å; V252-L264 HydrophobicContact CG2-CG 4.3Å; N262-L264 WeakPolarHBondContact ND2-CD2 3.48Å; L264-L293 HydrophobicContact CD1-CD2 3.55Å; L264-W304 HydrophobicContact CB-CD2 4.38Å; L264-W304 HydrophobicContact CB-CE3 4.07Å; L264-W304 HydrophobicContact CB-CH2 3.83Å; L264-W304 HydrophobicContact CB-CZ2 4.13Å; L264-W304 HydrophobicContact CB-CZ3 3.79Å; L264-W304 HydrophobicContact CD1-CB 4.28Å; L264-W304 HydrophobicContact CD1-CD2 3.75Å; L264-W304 HydrophobicContact CD1-CE3 3.91Å; L264-W304 HydrophobicContact CD1-CG 3.91Å; L264-W304 HydrophobicContact CD1-CZ3 4.49Å; L264-W304 HydrophobicContact CD2-CE3 4.26Å; L264-W304 HydrophobicContact CD2-CZ3 4.47Å; L264-W304 HydrophobicContact CG-CE3 4.31Å; L264-W304 HydrophobicContact CG-CZ3 4.48Å; L264-C312 HydrophobicContact CD2-CB 3.95Å
265T94.6Very high95.1Very high102 Ų10245.8 Ų45.863%0.62628%0.276SS*.  trans-107.9153.1-179.259.10000110.9T249 T263T249-T265 HydrophobicContact CG2-CG2 4.3Å; T263-T265 HydrophobicContact CG2-CG2 4.22Å
266G93.1Very high95Very high43 Ų4345.9 Ų45.944%0.44328%0.276SS..  trans140.5-14.5171.300000114.4K302G266-K302 VanDerWaalsContact C-CE 3.41Å; G266-K302 VanDerWaalsContact O-CE 3.3Å; G266-K302 WeakPolarHBondContact O-CE 3.36Å
267H96Very high94.8Very high12 Ų1245 Ų456%0.05626%0.263CS..  trans-67.6148.6168.5-80.1-67.2000110.6F248 V271 S295 D297 E300F248-H267 WeakPolarHBondContact O-CB 3.48Å; H267-V271 HydrophobicContact CB-CG2 4.03Å; H267-S295 PolarHBondContact NE2-OG 2.88Å; H267-D297 HydrophobicContact CB-CB 4.45Å; H267-D297 WeakPolarHBondContact CB-OD2 3.34Å; H267-D297 IonicContact CE1-OD2 3.51Å; H267-D297 IonicContact CG-OD2 3.34Å; H267-D297 IonicContact ND1-OD2 3.95Å; H267-D297 PolarHBondContact ND1-OD2 3.25Å; H267-E300 IonicContact ND1-OE1 3.03Å
268T95.1Very high94.5Very high58 Ų5847.4 Ų47.436%0.35626%0.258SS..SBendtrans-108.7-2.6-179.560.20000113.3D297 R324T268-D297 PolarHBondContact N-OD2 2.75Å; T268-R324 PolarHBondContact OG1-NH1 3.47Å
269E95.4Very high94Very high63 Ų6347 Ų4729%0.29425%0.254SS..SBendtrans-141.3175.9179.9-77.7-65.6163.600110.5F248 V271 D297 K298 Y299F248-E269 WeakPolarHBondContact CD1-O 3.46Å; E269-V271 PolarHBondContact O-N 3.3Å; E269-D297 HydrophobicContact CB-CB 4.01Å; E269-K298 HydrophobicContact CB-CB 4.11Å; E269-K298 HydrophobicContact CG-CB 4.15Å; E269-Y299 HydrophobicContact CG-CD2 3.84Å; E269-Y299 HydrophobicContact CG-CE2 3.48Å; E269-Y299 VanDerWaalsContact CG-CE2 3.48Å
270W95.8Very high93.3Very high127 Ų12751.2 Ų51.248%0.48127%0.265SS..  trans-53.7128.3176.7-64.7-18.8000111.4F230 A246 F248 T272 D297F230-W270 HydrophobicContact CD2-CB 4.22Å; F230-W270 HydrophobicContact CE2-CB 3.88Å; F230-W270 AromaticContact CE2-CD2 3.79Å; F230-W270 HydrophobicContact CE2-CD2 3.79Å; F230-W270 AromaticContact CE2-CE3 3.79Å; F230-W270 HydrophobicContact CE2-CE3 3.79Å; F230-W270 AromaticContact CE2-CG 3.83Å; F230-W270 HydrophobicContact CE2-CG 3.83Å; F230-W270 HydrophobicContact CZ-CD2 4.35Å; F230-W270 HydrophobicContact CZ-CE3 4.18Å; A246-W270 HydrophobicContact CB-CD2 4.45Å; A246-W270 HydrophobicContact CB-CG 4.15Å; A246-W270 PolarHBondContact O-NE1 3.21Å; F248-W270 AromaticContact CD1-CD1 3.79Å; F248-W270 AromaticContact CE1-CD1 3.35Å; F248-W270 HydrophobicContact CE1-CG 4.35Å; F248-W270 AromaticContact CE1-NE1 3.85Å; W270-T272 PolarHBondContact O-N 2.77Å; W270-T272 VanDerWaalsContact O-N 3.14Å; W270-D297 WeakPolarHBondContact O-CA 2.97Å; W270-D297 WeakPolarHBondContact O-CB 3.27Å
271V96.4Very high92.6Very high0 Ų050 Ų500%026%0.256CS..  trans-76.8106.3172.9-173.50000107.9G244 S245 V250 H267 E269 V274 A296G244-V271 CarbonylContact C-O 3.59Å; S245-V271 PolarHBondContact O-N 2.79Å; V250-V271 HydrophobicContact CG2-CG1 3.85Å; V250-V271 HydrophobicContact CG2-CG2 4.18Å; H267-V271 HydrophobicContact CB-CG2 4.03Å; E269-V271 PolarHBondContact O-N 3.3Å; V271-V274 HydrophobicContact CG1-CG1 4.11Å; V271-A296 CarbonylContact C-O 3.53Å
272T94Very high91.9Very high24 Ų2453.6 Ų53.615%0.14727%0.271CS..  trans-88.7-25.1-172.461.50000113W270 A296W270-T272 PolarHBondContact O-N 2.77Å; W270-T272 VanDerWaalsContact O-N 3.14Å; T272-A296 PolarHBondContact N-O 2.89Å; T272-A296 PolarHBondContact OG1-O 2.88Å
273K94.3Very high90.9Very high82 Ų8252.6 Ų52.636%0.35727%0.267SS..EExtended strand (participates in β ladder)trans-144.8139.2-177.9-164.869.1174.3-175.90110.7I275 S295 A296 L332K273-I275 HydrophobicContact CG-CG1 4.27Å; K273-S295 CarbonylContact O-C 3.54Å; K273-S295 VanDerWaalsContact O-CA 3.3Å; K273-S295 WeakPolarHBondContact O-CA 3.23Å; K273-A296 HydrophobicContact CB-CB 4.41Å; K273-A296 PolarHBondContact N-O 3.11Å; K273-A296 PolarHBondContact O-N 2.96Å; K273-L332 HydrophobicContact CB-CB 4.37Å; K273-L332 HydrophobicContact CG-CB 4.02Å
274V95.9Very high89.6Confident2 Ų258.6 Ų58.61%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-125.2144.8163.3-63.40000108.9S231 D233 V242 V250 V271 L293 L294S231-V274 WeakPolarHBondContact OG-CG2 3.44Å; S231-V274 PolarHBondContact OG-N 2.77Å; S231-V274 PolarHBondContact OG-O 2.7Å; D233-V274 HydrophobicContact CB-CG2 4.3Å; V242-V274 HydrophobicContact CG2-CB 4.39Å; V242-V274 HydrophobicContact CG2-CG2 4.06Å; V250-V274 HydrophobicContact CG1-CG1 4.16Å; V250-V274 HydrophobicContact CG2-CG1 4.09Å; V271-V274 HydrophobicContact CG1-CG1 4.11Å; V274-L293 HydrophobicContact CB-CD1 4.25Å; V274-L294 CarbonylContact C-O 3.53Å; V274-L294 VanDerWaalsContact CA-O 3.24Å; V274-L294 WeakPolarHBondContact CA-O 3.22Å
275I95.1Very high88.4Confident15 Ų1562.3 Ų62.38%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-134.2129176-56.8176.8000107.9K273 Q277 L293 L294 L332 F334K273-I275 HydrophobicContact CG-CG1 4.27Å; I275-Q277 HydrophobicContact CG2-CB 4.22Å; I275-L293 WeakPolarHBondContact O-CA 3.42Å; I275-L294 HydrophobicContact CB-CB 4.42Å; I275-L294 PolarHBondContact N-O 2.96Å; I275-L294 PolarHBondContact O-N 3.06Å; I275-L332 HydrophobicContact CD1-CB 4.07Å; I275-L332 HydrophobicContact CD1-CD2 3.82Å; I275-L332 HydrophobicContact CD1-CG 3.74Å; I275-L332 WeakPolarHBondContact CD1-O 3.29Å; I275-L332 HydrophobicContact CG1-CD2 4.37Å; I275-F334 HydrophobicContact CD1-CB 4.11Å; I275-F334 HydrophobicContact CG2-CB 4.31Å; I275-F334 HydrophobicContact CG2-CD1 4.49Å
276L93.3Very high87.5Confident15 Ų1557.9 Ų57.98%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-114.5111.6172.7-179.859.2000109.3D233 N235 V240 V242 Y291 L306D233-L276 HydrophobicContact CB-CB 3.96Å; D233-L276 PolarHBondContact OD2-N 2.88Å; N235-L276 HydrophobicContact CB-CD2 3.63Å; N235-L276 HydrophobicContact CB-CG 4.48Å; V240-L276 HydrophobicContact CG1-CD2 4.44Å; V242-L276 HydrophobicContact CG2-CB 4.16Å; L276-Y291 HydrophobicContact CD1-CD1 4.23Å; L276-Y291 HydrophobicContact CG-CD1 4.36Å; L276-L306 HydrophobicContact CD1-CD1 3.23Å
277Q90.9Very high86.6Confident62 Ų6258.9 Ų58.929%0.2929%0.289SS..EExtended strand (participates in β ladder)trans-149.6152.9-174.7-173.6161.1-4.900112I275 I292 F334 D335I275-Q277 HydrophobicContact CG2-CB 4.22Å; Q277-I292 PolarHBondContact N-O 3.22Å; Q277-I292 VanDerWaalsContact N-O 3.09Å; Q277-I292 PolarHBondContact O-N 2.93Å; Q277-F334 HydrophobicContact CB-CD1 3.86Å; Q277-F334 HydrophobicContact CB-CE1 4.08Å; Q277-F334 HydrophobicContact CG-CD1 4.3Å; Q277-F334 HydrophobicContact CG-CE1 4.43Å; Q277-F334 PolarHBondContact OE1-O 3.33Å; Q277-D335 PolarHBondContact NE2-O 3.44Å
278R88.4Confident85.7Confident114 Ų11462.1 Ų62.143%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-73.8143.9175.4-65.8-176.1-178.8173-1.8111E237 D290 Y291 G336E237-R278 VanDerWaalsContact CD-NH2 3.26Å; E237-R278 IonicContact OE1-NH2 3.52Å; E237-R278 PolarHBondContact OE1-NH2 3.03Å; E237-R278 VanDerWaalsContact OE1-NH2 3.1Å; E237-R278 IonicContact OE2-CZ 2.72Å; E237-R278 IonicContact OE2-NH2 3.38Å; E237-R278 PolarHBondContact OE2-NH2 3.4Å; R278-D290 CarbonylContact C-O 3.55Å; R278-D290 WeakPolarHBondContact CA-O 3.33Å; R278-Y291 HydrophobicContact CG-CD1 3.83Å; R278-Y291 HydrophobicContact CG-CD2 4.36Å; R278-Y291 HydrophobicContact CG-CE1 3.51Å; R278-Y291 HydrophobicContact CG-CE2 4.14Å; R278-Y291 HydrophobicContact CG-CG 4.26Å; R278-Y291 VanDerWaalsContact NE-CZ 3.32Å; R278-Y291 PolarHBondContact NE-OH 3.49Å; R278-Y291 PolarHBondContact NH2-OH 3.04Å; R278-G336 WeakPolarHBondContact O-CA 3.03Å
279S84.8Confident84.8Confident4 Ų461.1 Ų61.13%0.02831%0.312CS..  trans-68131.7168.4-156.20000110.3V281 G289 D290 I292S279-V281 PolarHBondContact OG-O 3.18Å; S279-G289 PolarHBondContact O-N 3.5Å; S279-D290 PolarHBondContact N-O 3.15Å; S279-I292 VanDerWaalsContact CB-CD1 3.46Å
280E82.7Confident84.3Confident136 Ų13661.3 Ų61.364%0.63632%0.315SS*.SBendtrans-90.4-17.3167.6-69-168168.200112G336E280-G336 PolarHBondContact N-O 3.25Å
281V80.9Confident83.8Confident29 Ų2956.4 Ų56.418%0.17630%0.297CS..SBendtrans-117153.8-176.1-63.10000111.7S279 R337 F352 A353S279-V281 PolarHBondContact OG-O 3.18Å; V281-R337 HydrophobicContact CG1-CB 4.05Å; V281-R337 HydrophobicContact CG1-CG 3.78Å; V281-F352 HydrophobicContact CG2-CD1 3.93Å; V281-A353 HydrophobicContact CG2-CB 4.09Å
282E79.6Confident83.5Confident149 Ų14956.4 Ų56.470%0.69630%0.297SS*.  trans-75.4130.3165.1-166.9173.1-168.900108.6P288E282-P288 HydrophobicContact CB-CG 4.25Å
283S73.3Confident83.4Confident14 Ų1455.3 Ų55.310%0.09829%0.29CS..  trans-119.5171.8175.2176.40000108.7V285 H286 A353S283-V285 PolarHBondContact O-N 3.11Å; S283-H286 PolarHBondContact N-O 2.69Å; S283-H286 PolarHBondContact O-N 2.86Å; S283-A353 PolarHBondContact OG-O 2.84Å
284M66.4Low83.5Confident174 Ų17451.4 Ų51.486%0.85727%0.273SS*.SBendtrans-55.3-23.6178.8-63-170.9-17700114
285V70.9Confident83.5Confident84 Ų8451.3 Ų51.351%0.50927%0.272SS..SBendtrans-132.40.2-177.6-640000114.4S283 L315S283-V285 PolarHBondContact O-N 3.11Å; V285-L315 HydrophobicContact CB-CD1 4.28Å; V285-L315 HydrophobicContact CG1-CD1 3.94Å; V285-L315 HydrophobicContact CG2-CD1 3.56Å; V285-L315 HydrophobicContact CG2-CD2 3.34Å; V285-L315 HydrophobicContact CG2-CG 4.07Å
286H75.6Confident83.5Confident8 Ų850.9 Ų50.94%0.03727%0.271CS..  trans-129.7135-177.5-54.7111.2000110.1S283 D290 F352S283-H286 PolarHBondContact N-O 2.69Å; S283-H286 PolarHBondContact O-N 2.86Å; H286-D290 HydrophobicContact CB-CB 4.26Å; H286-F352 AromaticContact CE1-CZ 3.86Å; H286-F352 AromaticContact ND1-CE1 3.86Å; H286-F352 AromaticContact ND1-CZ 3.53Å
287S74.6Confident83.6Confident65 Ų6550.2 Ų50.246%0.45527%0.267SS..  trans-86.8154.2167.5-59.20000110.2G289 D290S287-G289 PolarHBondContact O-N 3.49Å; S287-D290 PolarHBondContact N-OD2 2.88Å; S287-D290 WeakPolarHBondContact O-CB 3.21Å; S287-D290 PolarHBondContact O-N 3.38Å
288P76.5Confident83.7Confident80 Ų8051.6 Ų51.652%0.51927%0.272SS..THydrogen-bonded Turntrans-52.5128.8168.6-24.233.6000110.6E282E282-P288 HydrophobicContact CB-CG 4.25Å
289G76.6Confident83.9Confident36 Ų3648 Ų4837%0.37126%0.259SS..THydrogen-bonded Turntrans96.6-14.3-175.200000115.5S279 S287S279-G289 PolarHBondContact O-N 3.5Å; S287-G289 PolarHBondContact O-N 3.49Å
290D83.9Confident84.4Confident67 Ų6749 Ų4936%0.35826%0.263SS..  trans-66.3141.3173.2-73.3-19.8000110.6R278 S279 H286 S287R278-D290 CarbonylContact C-O 3.55Å; R278-D290 WeakPolarHBondContact CA-O 3.33Å; S279-D290 PolarHBondContact N-O 3.15Å; H286-D290 HydrophobicContact CB-CB 4.26Å; S287-D290 PolarHBondContact N-OD2 2.88Å; S287-D290 WeakPolarHBondContact O-CB 3.21Å; S287-D290 PolarHBondContact O-N 3.38Å
291Y86.4Confident85Confident25 Ų2542.5 Ų42.510%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-81.6133177-75.7-87.6000111.2N235 E237 L238 L276 R278 L306N235-Y291 HydrophobicContact CB-CE1 4.43Å; N235-Y291 WeakPolarHBondContact ND2-CE1 3.45Å; N235-Y291 PolarHBondContact ND2-OH 2.9Å; E237-Y291 PolarHBondContact OE2-OH 2.77Å; L238-Y291 HydrophobicContact CD1-CD1 4.03Å; L238-Y291 HydrophobicContact CD1-CD2 3.45Å; L238-Y291 VanDerWaalsContact CD1-CD2 3.45Å; L238-Y291 HydrophobicContact CD1-CE1 4.47Å; L238-Y291 HydrophobicContact CD1-CE2 3.91Å; L238-Y291 HydrophobicContact CD1-CG 3.48Å; L238-Y291 VanDerWaalsContact CD1-CG 3.48Å; L238-Y291 HydrophobicContact CD2-CD2 3.91Å; L238-Y291 HydrophobicContact CD2-CE2 4.01Å; L238-Y291 HydrophobicContact CG-CD2 3.84Å; L238-Y291 HydrophobicContact CG-CE2 3.83Å; L238-Y291 HydrophobicContact CG-CG 4.33Å; L276-Y291 HydrophobicContact CD1-CD1 4.23Å; L276-Y291 HydrophobicContact CG-CD1 4.36Å; R278-Y291 HydrophobicContact CG-CD1 3.83Å; R278-Y291 HydrophobicContact CG-CD2 4.36Å; R278-Y291 HydrophobicContact CG-CE1 3.51Å; R278-Y291 HydrophobicContact CG-CE2 4.14Å; R278-Y291 HydrophobicContact CG-CG 4.26Å; R278-Y291 VanDerWaalsContact NE-CZ 3.32Å; R278-Y291 PolarHBondContact NE-OH 3.49Å; R278-Y291 PolarHBondContact NH2-OH 3.04Å; Y291-L306 PolarHBondContact O-N 2.95Å
292I89.3Confident85.7Confident0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-116.8134.2179.8-58.5149.9000108Q277 S279 L294 V303 F334 F352Q277-I292 PolarHBondContact N-O 3.22Å; Q277-I292 VanDerWaalsContact N-O 3.09Å; Q277-I292 PolarHBondContact O-N 2.93Å; S279-I292 VanDerWaalsContact CB-CD1 3.46Å; I292-L294 HydrophobicContact CG2-CD2 3.98Å; I292-L294 HydrophobicContact CG2-CG 4.23Å; I292-V303 HydrophobicContact CG2-CG1 4.05Å; I292-F334 HydrophobicContact CB-CE1 4.23Å; I292-F334 HydrophobicContact CD1-CE1 3.93Å; I292-F334 HydrophobicContact CD1-CZ 3.72Å; I292-F334 HydrophobicContact CG2-CE1 4.44Å; I292-F352 HydrophobicContact CB-CZ 4.36Å; I292-F352 HydrophobicContact CD1-CD1 4.03Å; I292-F352 HydrophobicContact CD1-CE1 3.19Å; I292-F352 HydrophobicContact CD1-CE2 3.96Å; I292-F352 HydrophobicContact CD1-CZ 3.15Å; I292-F352 HydrophobicContact CG1-CE1 4.11Å; I292-F352 HydrophobicContact CG1-CE2 4.45Å; I292-F352 HydrophobicContact CG1-CZ 3.65Å; I292-F352 HydrophobicContact CG2-CE2 3.86Å; I292-F352 HydrophobicContact CG2-CZ 3.86Å
293L93.1Very high86.4Confident1 Ų134.6 Ų34.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-103.1123.5168.5169.463.1000108.9V242 V250 V252 L264 V274 I275 W304 L306V242-L293 HydrophobicContact CB-CD1 4.02Å; V242-L293 HydrophobicContact CG1-CD1 4.1Å; V242-L293 HydrophobicContact CG1-CD2 4.03Å; V242-L293 HydrophobicContact CG2-CD1 3.84Å; V250-L293 HydrophobicContact CG1-CD2 4.04Å; V252-L293 HydrophobicContact CG2-CD2 4.47Å; L264-L293 HydrophobicContact CD1-CD2 3.55Å; V274-L293 HydrophobicContact CB-CD1 4.25Å; I275-L293 WeakPolarHBondContact O-CA 3.42Å; L293-W304 HydrophobicContact CB-CB 4.05Å; L293-W304 HydrophobicContact CD2-CB 4.16Å; L293-W304 HydrophobicContact CD2-CG 4.26Å; L293-W304 HydrophobicContact CG-CB 4.19Å; L293-W304 HydrophobicContact CG-CG 4.28Å; L293-W304 PolarHBondContact N-O 2.78Å; L293-W304 VanDerWaalsContact N-O 3.07Å; L293-W304 PolarHBondContact O-N 2.86Å; L293-L306 HydrophobicContact CB-CD1 3.58Å; L293-L306 HydrophobicContact CB-CG 4.15Å; L293-L306 HydrophobicContact CD2-CD1 4.36Å
294L95.4Very high87.2Confident0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-108.3141.3167.4-59.2-179.3000109.5V274 I275 I292 K302 V303 L332 F334 I339V274-L294 CarbonylContact C-O 3.53Å; V274-L294 VanDerWaalsContact CA-O 3.24Å; V274-L294 WeakPolarHBondContact CA-O 3.22Å; I275-L294 HydrophobicContact CB-CB 4.42Å; I275-L294 PolarHBondContact N-O 2.96Å; I275-L294 PolarHBondContact O-N 3.06Å; I292-L294 HydrophobicContact CG2-CD2 3.98Å; I292-L294 HydrophobicContact CG2-CG 4.23Å; L294-K302 WeakPolarHBondContact CA-O 3.3Å; L294-V303 HydrophobicContact CD2-CB 4Å; L294-V303 HydrophobicContact CD2-CG1 3.92Å; L294-V303 HydrophobicContact CD2-CG2 3.63Å; L294-L332 HydrophobicContact CB-CD2 3.89Å; L294-L332 HydrophobicContact CD1-CD2 4.37Å; L294-F334 HydrophobicContact CD1-CB 3.61Å; L294-F334 HydrophobicContact CD1-CD1 3.75Å; L294-F334 HydrophobicContact CD1-CD2 3.87Å; L294-F334 HydrophobicContact CD1-CE1 4.39Å; L294-F334 HydrophobicContact CD1-CE2 4.5Å; L294-F334 HydrophobicContact CD1-CG 3.47Å; L294-F334 VanDerWaalsContact CD1-CG 3.47Å; L294-F334 HydrophobicContact CG-CD1 4.41Å; L294-I339 HydrophobicContact CD1-CD1 3.83Å; L294-I339 HydrophobicContact CD1-CG1 3.79Å; L294-I339 HydrophobicContact CD2-CD1 4.04Å
295S95.9Very high88Confident0 Ų027.7 Ų27.70%016%0.161CC..EExtended strand (participates in β ladder)trans-133.8142.717062.20000111.1H267 K273 I301 K302 W304H267-S295 PolarHBondContact NE2-OG 2.88Å; K273-S295 CarbonylContact O-C 3.54Å; K273-S295 VanDerWaalsContact O-CA 3.3Å; K273-S295 WeakPolarHBondContact O-CA 3.23Å; S295-I301 CarbonylContact O-C 3.53Å; S295-I301 VanDerWaalsContact O-CA 3.29Å; S295-I301 WeakPolarHBondContact O-CA 3.38Å; S295-K302 PolarHBondContact N-O 2.78Å; S295-K302 PolarHBondContact O-N 2.75Å; S295-W304 PolarHBondContact OG-NE1 3.38Å
296A95.9Very high88.3Confident5 Ų524.7 Ų24.74%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-125.5133.3179.700000111.5V271 T272 K273 E300 I301 L332V271-A296 CarbonylContact C-O 3.53Å; T272-A296 PolarHBondContact N-O 2.89Å; T272-A296 PolarHBondContact OG1-O 2.88Å; K273-A296 HydrophobicContact CB-CB 4.41Å; K273-A296 PolarHBondContact N-O 3.11Å; K273-A296 PolarHBondContact O-N 2.96Å; A296-E300 WeakPolarHBondContact CA-O 3.35Å; A296-I301 HydrophobicContact CB-CG1 4.05Å; A296-L332 HydrophobicContact CB-CB 4.45Å; A296-L332 HydrophobicContact CB-CD2 4.17Å
297D94.4Very high87.8Confident2 Ų226.7 Ų26.71%0.01117%0.165CC..  trans-107.5-165.5162.374.522.4000110.5H267 T268 E269 W270 Y299 E300H267-D297 HydrophobicContact CB-CB 4.45Å; H267-D297 WeakPolarHBondContact CB-OD2 3.34Å; H267-D297 IonicContact CE1-OD2 3.51Å; H267-D297 IonicContact CG-OD2 3.34Å; H267-D297 IonicContact ND1-OD2 3.95Å; H267-D297 PolarHBondContact ND1-OD2 3.25Å; T268-D297 PolarHBondContact N-OD2 2.75Å; E269-D297 HydrophobicContact CB-CB 4.01Å; W270-D297 WeakPolarHBondContact O-CA 2.97Å; W270-D297 WeakPolarHBondContact O-CB 3.27Å; D297-Y299 PolarHBondContact O-N 2.94Å; D297-Y299 PolarHBondContact OD1-N 2.61Å; D297-E300 PolarHBondContact N-O 2.99Å; D297-E300 WeakPolarHBondContact OD1-CG 3.13Å; D297-E300 PolarHBondContact OD1-N 2.91Å; D297-E300 WeakPolarHBondContact OD2-CG 3.11Å
298K92.1Very high87Confident90 Ų9035.8 Ų35.839%0.39119%0.189SC..SBendtrans-64.3-22.6-178.9-173.6-179.8171.1-154.80114E269 S327 L328E269-K298 HydrophobicContact CB-CB 4.11Å; E269-K298 HydrophobicContact CG-CB 4.15Å; K298-S327 CarbonylContact O-C 3.39Å; K298-S327 WeakPolarHBondContact O-CA 3.37Å; K298-L328 PolarHBondContact O-N 2.92Å
299Y93.3Very high86Confident39 Ų3939.9 Ų39.915%0.15320%0.201CC..SBendtrans-124.7-26.3-170.6-56-60.5000113.4E269 D297 R324E269-Y299 HydrophobicContact CG-CD2 3.84Å; E269-Y299 HydrophobicContact CG-CE2 3.48Å; E269-Y299 VanDerWaalsContact CG-CE2 3.48Å; D297-Y299 PolarHBondContact O-N 2.94Å; D297-Y299 PolarHBondContact OD1-N 2.61Å; Y299-R324 HydrophobicContact CD1-CB 4.47Å; Y299-R324 HydrophobicContact CE1-CB 4.26Å; Y299-R324 WeakPolarHBondContact CE1-O 3.49Å
300E94.6Very high85.2Confident25 Ų2541.2 Ų41.212%0.11720%0.199CC..EExtended strand (participates in β ladder)trans-141.1148.6-170.151.1176.5-165.200113.1H267 A296 D297 K302 T317 L318H267-E300 IonicContact ND1-OE1 3.03Å; A296-E300 WeakPolarHBondContact CA-O 3.35Å; D297-E300 PolarHBondContact N-O 2.99Å; D297-E300 WeakPolarHBondContact OD1-CG 3.13Å; D297-E300 PolarHBondContact OD1-N 2.91Å; D297-E300 WeakPolarHBondContact OD2-CG 3.11Å; E300-K302 VanDerWaalsContact CD-CE 3.46Å; E300-K302 WeakPolarHBondContact OE1-CE 3.33Å; E300-K302 IonicContact OE1-NZ 2.81Å; E300-K302 PolarHBondContact OE1-NZ 2.63Å; E300-K302 IonicContact OE2-NZ 3.44Å; E300-K302 PolarHBondContact OE2-NZ 3.25Å; E300-T317 HydrophobicContact CB-CG2 3.75Å; E300-T317 HydrophobicContact CG-CG2 4.44Å; E300-T317 WeakPolarHBondContact OE2-CG2 3.21Å; E300-L318 CarbonylContact C-O 3.59Å; E300-L318 WeakPolarHBondContact CA-O 3.15Å
301I96.4Very high84Confident0 Ų044.6 Ų44.60%022%0.217CC..EExtended strand (participates in β ladder)trans-107.6126.6168-58.4154.8000107S295 A296 T317 L318 L328 L332 I339 C341 W350S295-I301 CarbonylContact O-C 3.53Å; S295-I301 VanDerWaalsContact O-CA 3.29Å; S295-I301 WeakPolarHBondContact O-CA 3.38Å; A296-I301 HydrophobicContact CB-CG1 4.05Å; I301-T317 CarbonylContact O-C 3.55Å; I301-T317 WeakPolarHBondContact O-CA 3.27Å; I301-L318 HydrophobicContact CB-CB 4.25Å; I301-L318 PolarHBondContact N-O 2.88Å; I301-L318 PolarHBondContact O-N 3.35Å; I301-L328 HydrophobicContact CD1-CD1 4.15Å; I301-L328 HydrophobicContact CG1-CD1 3.8Å; I301-L332 HydrophobicContact CD1-CD1 3.54Å; I301-L332 HydrophobicContact CG1-CD1 3.95Å; I301-L332 HydrophobicContact CG2-CD1 4.22Å; I301-L332 HydrophobicContact CG2-CD2 4.05Å; I301-I339 HydrophobicContact CD1-CG2 4.25Å; I301-C341 HydrophobicContact CD1-CB 3.97Å; I301-W350 HydrophobicContact CD1-CH2 4.3Å; I301-W350 HydrophobicContact CD1-CZ3 4.17Å
302K95.3Very high83Confident11 Ų1144 Ų445%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-107138.7176.1-67.2-174.8-168.3-60.10110.6G266 L294 S295 E300 W304 K316 T317G266-K302 VanDerWaalsContact C-CE 3.41Å; G266-K302 VanDerWaalsContact O-CE 3.3Å; G266-K302 WeakPolarHBondContact O-CE 3.36Å; L294-K302 WeakPolarHBondContact CA-O 3.3Å; S295-K302 PolarHBondContact N-O 2.78Å; S295-K302 PolarHBondContact O-N 2.75Å; E300-K302 VanDerWaalsContact CD-CE 3.46Å; E300-K302 WeakPolarHBondContact OE1-CE 3.33Å; E300-K302 IonicContact OE1-NZ 2.81Å; E300-K302 PolarHBondContact OE1-NZ 2.63Å; E300-K302 IonicContact OE2-NZ 3.44Å; E300-K302 PolarHBondContact OE2-NZ 3.25Å; K302-W304 HydrophobicContact CB-CZ2 3.74Å; K302-W304 HydrophobicContact CD-CH2 3.97Å; K302-W304 HydrophobicContact CD-CZ2 3.49Å; K302-W304 VanDerWaalsContact CD-CZ2 3.49Å; K302-W304 HydrophobicContact CG-CZ2 4.27Å; K302-K316 WeakPolarHBondContact CA-O 3.35Å; K302-T317 PolarHBondContact NZ-OG1 3.26Å
303V93.6Very high82.5Confident0 Ų052.7 Ų52.70%025%0.254CS..EExtended strand (participates in β ladder)trans-105.1126.2176.9-173.20000108.4I292 L294 L315 K316 L318 F352 F355I292-V303 HydrophobicContact CG2-CG1 4.05Å; L294-V303 HydrophobicContact CD2-CB 4Å; L294-V303 HydrophobicContact CD2-CG1 3.92Å; L294-V303 HydrophobicContact CD2-CG2 3.63Å; V303-L315 HydrophobicContact CG1-CD2 4.01Å; V303-L315 WeakPolarHBondContact O-CB 3.48Å; V303-L315 PolarHBondContact O-N 3.5Å; V303-K316 HydrophobicContact CB-CB 4.23Å; V303-K316 HydrophobicContact CG2-CB 4.17Å; V303-K316 PolarHBondContact N-O 2.99Å; V303-L318 HydrophobicContact CG2-CD1 4.35Å; V303-F352 HydrophobicContact CG1-CE2 3.83Å; V303-F352 HydrophobicContact CG1-CZ 4.38Å; V303-F355 HydrophobicContact CG1-CE1 4.28Å; V303-F355 HydrophobicContact CG1-CZ 4.42Å; V303-F355 HydrophobicContact CG2-CD1 4.46Å; V303-F355 HydrophobicContact CG2-CE1 3.9Å
304W90.7Very high82.3Confident4 Ų454.9 Ų54.92%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-123.8129.1-179-44.986.5000109.5L264 L293 S295 K302 C314L264-W304 HydrophobicContact CB-CD2 4.38Å; L264-W304 HydrophobicContact CB-CE3 4.07Å; L264-W304 HydrophobicContact CB-CH2 3.83Å; L264-W304 HydrophobicContact CB-CZ2 4.13Å; L264-W304 HydrophobicContact CB-CZ3 3.79Å; L264-W304 HydrophobicContact CD1-CB 4.28Å; L264-W304 HydrophobicContact CD1-CD2 3.75Å; L264-W304 HydrophobicContact CD1-CE3 3.91Å; L264-W304 HydrophobicContact CD1-CG 3.91Å; L264-W304 HydrophobicContact CD1-CZ3 4.49Å; L264-W304 HydrophobicContact CD2-CE3 4.26Å; L264-W304 HydrophobicContact CD2-CZ3 4.47Å; L264-W304 HydrophobicContact CG-CE3 4.31Å; L264-W304 HydrophobicContact CG-CZ3 4.48Å; L293-W304 HydrophobicContact CB-CB 4.05Å; L293-W304 HydrophobicContact CD2-CB 4.16Å; L293-W304 HydrophobicContact CD2-CG 4.26Å; L293-W304 HydrophobicContact CG-CB 4.19Å; L293-W304 HydrophobicContact CG-CG 4.28Å; L293-W304 PolarHBondContact N-O 2.78Å; L293-W304 VanDerWaalsContact N-O 3.07Å; L293-W304 PolarHBondContact O-N 2.86Å; S295-W304 PolarHBondContact OG-NE1 3.38Å; K302-W304 HydrophobicContact CB-CZ2 3.74Å; K302-W304 HydrophobicContact CD-CH2 3.97Å; K302-W304 HydrophobicContact CD-CZ2 3.49Å; K302-W304 VanDerWaalsContact CD-CZ2 3.49Å; K302-W304 HydrophobicContact CG-CZ2 4.27Å; W304-C314 HydrophobicContact CE3-CB 3.91Å; W304-C314 HydrophobicContact CH2-CB 3.89Å; W304-C314 HydrophobicContact CZ3-CB 3.52Å
305P83.1Confident81.9Confident39 Ų3957.8 Ų57.825%0.25329%0.285SS..EExtended strand (participates in β ladder)trans-74.8131.2172.730.5-30.6000108.8C312 K313P305-C312 WeakPolarHBondContact O-CB 3.37Å; P305-C312 PolarHBondContact O-SG 2.88Å; P305-K313 WeakPolarHBondContact CD-O 3.46Å
306L77.9Confident81.7Confident22 Ų2262.3 Ų62.312%0.11530%0.304CS..  trans-104.784.9167-86.4163000108.5V242 V252 L276 Y291 L293V242-L306 HydrophobicContact CG1-CD1 4.48Å; V252-L306 HydrophobicContact CG1-CD2 4.29Å; L276-L306 HydrophobicContact CD1-CD1 3.23Å; Y291-L306 PolarHBondContact O-N 2.95Å; L293-L306 HydrophobicContact CB-CD1 3.58Å; L293-L306 HydrophobicContact CB-CG 4.15Å; L293-L306 HydrophobicContact CD2-CD1 4.36Å
307G64.8Low81.6Confident49 Ų4965 Ų6551%0.50532%0.32SS..  trans-92.4-175.4173.600000112.7E309G307-E309 PolarHBondContact O-N 2.79Å
308R56.8Low81.6Confident257 Ų25765.3 Ų65.397%0.9732%0.322SS*.SBendtrans-62.2-24.9174.5-69.7-176.6-179.8-173-0113.4
309E56.4Low81.6Confident165 Ų16563.6 Ų63.677%0.77132%0.321SS*.SBendtrans-97.6115.5171.9-67.8-175.2-176.300109.3G307 N311G307-E309 PolarHBondContact O-N 2.79Å; E309-N311 PolarHBondContact O-N 2.89Å
310I59.2Low81.4Confident65 Ų6563 Ų6333%0.33332%0.321SS..  trans-7310-175-60.7153.8000111.9V252 L261 N262 C312V252-I310 HydrophobicContact CG1-CG2 4.41Å; L261-I310 HydrophobicContact CB-CD1 4.25Å; L261-I310 HydrophobicContact CB-CG2 3.75Å; L261-I310 HydrophobicContact CD1-CD1 3.9Å; L261-I310 HydrophobicContact CG-CD1 4.48Å; N262-I310 HydrophobicContact CB-CG2 3.73Å; N262-I310 PolarHBondContact ND2-O 2.95Å; I310-C312 PolarHBondContact O-N 2.78Å
311N59.5Low81Confident138 Ų13864 Ų6474%0.73833%0.331SS*.  trans-91.567.3-179.2-155.13.3000111.5E309 K313E309-N311 PolarHBondContact O-N 2.89Å; N311-K313 PolarHBondContact O-N 2.9Å
312C64.5Low80.5Confident12 Ų1273.3 Ų73.38%0.08138%0.375CS..  trans-83.2107.1-170-45.20000111L264 P305 I310L264-C312 HydrophobicContact CD2-CB 3.95Å; P305-C312 WeakPolarHBondContact O-CB 3.37Å; P305-C312 PolarHBondContact O-SG 2.88Å; I310-C312 PolarHBondContact O-N 2.78Å
313K80Confident80.1Confident183 Ų18376.8 Ų76.880%0.79639%0.394SS*.  trans-75148.5161.4-70.8-174.6-179.8178.60109.4P305 N311 L315P305-K313 WeakPolarHBondContact CD-O 3.46Å; N311-K313 PolarHBondContact O-N 2.9Å; K313-L315 PolarHBondContact O-N 2.88Å
314C88Confident79.8Confident47 Ų4783.5 Ų83.532%0.31842%0.419SS..  trans-58.1120.9173.4-176.70000109.2W304 K316W304-C314 HydrophobicContact CE3-CB 3.91Å; W304-C314 HydrophobicContact CH2-CB 3.89Å; W304-C314 HydrophobicContact CZ3-CB 3.52Å; C314-K316 PolarHBondContact SG-O 2.92Å
315L87.8Confident79.5Confident61 Ų6187.4 Ų87.432%0.31945%0.447SS..  trans-75.6-48.6179.9177.373.8000110.7V285 V303 K313 F355V285-L315 HydrophobicContact CB-CD1 4.28Å; V285-L315 HydrophobicContact CG1-CD1 3.94Å; V285-L315 HydrophobicContact CG2-CD1 3.56Å; V285-L315 HydrophobicContact CG2-CD2 3.34Å; V285-L315 HydrophobicContact CG2-CG 4.07Å; V303-L315 HydrophobicContact CG1-CD2 4.01Å; V303-L315 WeakPolarHBondContact O-CB 3.48Å; V303-L315 PolarHBondContact O-N 3.5Å; K313-L315 PolarHBondContact O-N 2.88Å; L315-F355 HydrophobicContact CD2-CE2 4.3Å; L315-F355 HydrophobicContact CD2-CZ 3.88Å
316K91.2Very high79.7Confident95 Ų9586.9 Ų86.941%0.41344%0.442SS..EExtended strand (participates in β ladder)trans-149.1141.4-175-16770.1173.9-172.60110.2K302 V303 C314 L318 F355K302-K316 WeakPolarHBondContact CA-O 3.35Å; V303-K316 HydrophobicContact CB-CB 4.23Å; V303-K316 HydrophobicContact CG2-CB 4.17Å; V303-K316 PolarHBondContact N-O 2.99Å; C314-K316 PolarHBondContact SG-O 2.92Å; K316-L318 HydrophobicContact CG-CD2 3.68Å; K316-F355 HydrophobicContact CB-CD2 4.42Å; K316-F355 HydrophobicContact CB-CE1 4.45Å; K316-F355 HydrophobicContact CB-CE2 4.34Å; K316-F355 HydrophobicContact CB-CZ 4.35Å; K316-F355 HydrophobicContact CD-CD2 4.34Å; K316-F355 HydrophobicContact CG-CB 4.27Å; K316-F355 HydrophobicContact CG-CD1 4.22Å; K316-F355 HydrophobicContact CG-CD2 4.04Å; K316-F355 HydrophobicContact CG-CE2 4.45Å; K316-F355 HydrophobicContact CG-CG 3.91Å
317T94.3Very high80.2Confident62 Ų6286.9 Ų86.938%0.3844%0.444SS..EExtended strand (participates in β ladder)trans-108.4125.3167.5-590000107.5E300 I301 K302E300-T317 HydrophobicContact CB-CG2 3.75Å; E300-T317 HydrophobicContact CG-CG2 4.44Å; E300-T317 WeakPolarHBondContact OE2-CG2 3.21Å; I301-T317 CarbonylContact O-C 3.55Å; I301-T317 WeakPolarHBondContact O-CA 3.27Å; K302-T317 PolarHBondContact NZ-OG1 3.26Å
318L93.9Very high81.4Confident7 Ų785.2 Ų85.24%0.03742%0.423CS..EExtended strand (participates in β ladder)trans-106.7132.8174.4-47.2176.2000108.1E300 I301 V303 K316 I339 W350 F355E300-L318 CarbonylContact C-O 3.59Å; E300-L318 WeakPolarHBondContact CA-O 3.15Å; I301-L318 HydrophobicContact CB-CB 4.25Å; I301-L318 PolarHBondContact N-O 2.88Å; I301-L318 PolarHBondContact O-N 3.35Å; V303-L318 HydrophobicContact CG2-CD1 4.35Å; K316-L318 HydrophobicContact CG-CD2 3.68Å; L318-I339 HydrophobicContact CD1-CD1 3.65Å; L318-W350 HydrophobicContact CD1-CG 4.33Å; L318-F355 HydrophobicContact CD2-CB 3.85Å; L318-F355 HydrophobicContact CD2-CD1 4.05Å; L318-F355 HydrophobicContact CD2-CG 4.25Å
319S92.3Very high82.9Confident55 Ų5573.7 Ų73.739%0.38538%0.38SS..EExtended strand (participates in β ladder)trans-136.5155.617260.10000109.3
320V89.3Confident83.8Confident25 Ų2567.3 Ų67.315%0.15235%0.353CS..SBendtrans-83.4-31.4176.1164.60000111.5I326 L328 Y348 W350V320-I326 HydrophobicContact CG1-CG2 4.34Å; V320-L328 HydrophobicContact CB-CD2 4.23Å; V320-L328 HydrophobicContact CG2-CD2 3.54Å; V320-Y348 HydrophobicContact CB-CE1 4.36Å; V320-Y348 HydrophobicContact CB-CE2 4.46Å; V320-Y348 HydrophobicContact CG1-CD1 4.16Å; V320-Y348 HydrophobicContact CG1-CD2 4.08Å; V320-Y348 HydrophobicContact CG1-CE1 3.55Å; V320-Y348 HydrophobicContact CG1-CE2 3.51Å; V320-Y348 HydrophobicContact CG1-CG 4.4Å; V320-Y348 VanDerWaalsContact CG1-OH 3.31Å; V320-Y348 WeakPolarHBondContact CG1-OH 3.28Å; V320-Y348 HydrophobicContact CG2-CD1 3.93Å; V320-Y348 HydrophobicContact CG2-CD2 3.75Å; V320-Y348 HydrophobicContact CG2-CE1 4.19Å; V320-Y348 HydrophobicContact CG2-CE2 4.07Å; V320-Y348 HydrophobicContact CG2-CG 3.71Å; V320-W350 HydrophobicContact CG2-CH2 3.55Å; V320-W350 HydrophobicContact CG2-CZ2 3.67Å
321S86.2Confident85Confident47 Ų4765.9 Ų65.933%0.32934%0.344SS..  trans-151.3156-179.6-173.60000109.8D323 I326S321-D323 VanDerWaalsContact C-N 3.29Å; S321-D323 PolarHBondContact OG-N 2.98Å; S321-I326 WeakPolarHBondContact OG-CD1 3.43Å
322E85.1Confident86.5Confident195 Ų19559.9 Ų59.991%0.91131%0.312SS*.SBendtrans-77.3-20.9165.8-63.4-173.2169.900111.7R324E322-R324 PolarHBondContact O-N 3.07Å
323D87.6Confident87.8Confident85 Ų8561.3 Ų61.346%0.45532%0.317SS..  trans-75.1112.5175.9-179.210.9000110.9S321 S325 I326S321-D323 VanDerWaalsContact C-N 3.29Å; S321-D323 PolarHBondContact OG-N 2.98Å; D323-S325 PolarHBondContact O-N 3.01Å; D323-S325 VanDerWaalsContact O-N 3.16Å; D323-S325 VanDerWaalsContact OD1-CB 3.3Å; D323-S325 WeakPolarHBondContact OD1-CB 3.45Å; D323-S325 PolarHBondContact OD1-N 2.82Å; D323-S325 PolarHBondContact OD1-OG 3.34Å; D323-S325 WeakPolarHBondContact OD2-CB 3.39Å; D323-S325 PolarHBondContact OD2-OG 2.85Å; D323-I326 HydrophobicContact CB-CD1 4.3Å; D323-I326 PolarHBondContact O-N 3.44Å; D323-I326 VanDerWaalsContact O-N 3.14Å
324R86.3Confident88.4Confident141 Ų14153.1 Ų53.153%0.53228%0.281SS..THydrogen-bonded Turntrans-71.20.8177.2-68.1-169.2172.8-130.9-3.8114T268 Y299 E322 I326T268-R324 PolarHBondContact OG1-NH1 3.47Å; Y299-R324 HydrophobicContact CD1-CB 4.47Å; Y299-R324 HydrophobicContact CE1-CB 4.26Å; Y299-R324 WeakPolarHBondContact CE1-O 3.49Å; E322-R324 PolarHBondContact O-N 3.07Å; R324-I326 VanDerWaalsContact C-N 3.25Å
325S86.3Confident88.3Confident85 Ų8553.4 Ų53.459%0.59428%0.28SS*.THydrogen-bonded Turntrans-69.5-27.716684.10000112D323D323-S325 PolarHBondContact O-N 3.01Å; D323-S325 VanDerWaalsContact O-N 3.16Å; D323-S325 VanDerWaalsContact OD1-CB 3.3Å; D323-S325 WeakPolarHBondContact OD1-CB 3.45Å; D323-S325 PolarHBondContact OD1-N 2.82Å; D323-S325 PolarHBondContact OD1-OG 3.34Å; D323-S325 WeakPolarHBondContact OD2-CB 3.39Å; D323-S325 PolarHBondContact OD2-OG 2.85Å
326I86.8Confident88.2Confident29 Ų2950.5 Ų50.515%0.14927%0.265CS..SBendtrans-90.7123.4-179.8-62.8153.8000108.9V320 S321 D323 R324 L345V320-I326 HydrophobicContact CG1-CG2 4.34Å; S321-I326 WeakPolarHBondContact OG-CD1 3.43Å; D323-I326 HydrophobicContact CB-CD1 4.3Å; D323-I326 PolarHBondContact O-N 3.44Å; D323-I326 VanDerWaalsContact O-N 3.14Å; R324-I326 VanDerWaalsContact C-N 3.25Å; I326-L345 HydrophobicContact CD1-CD1 3.51Å; I326-L345 HydrophobicContact CD1-CG 4.15Å; I326-L345 HydrophobicContact CG1-CD1 4.06Å; I326-L345 HydrophobicContact CG1-CG 4.14Å; I326-L345 HydrophobicContact CG2-CD1 4.21Å; I326-L345 HydrophobicContact CG2-CG 4.05Å
327S88.6Confident88Confident22 Ų2250.7 Ų50.715%0.15426%0.263CS..  trans-108.8145.4178.5670000112.8K298 S343 D344K298-S327 CarbonylContact O-C 3.39Å; K298-S327 WeakPolarHBondContact O-CA 3.37Å; S327-S343 CarbonylContact O-C 3.6Å; S327-S343 WeakPolarHBondContact O-CA 3.21Å; S327-S343 VanDerWaalsContact O-CB 3.31Å; S327-S343 WeakPolarHBondContact O-CB 3.44Å; S327-D344 WeakPolarHBondContact CA-OD2 3.24Å; S327-D344 WeakPolarHBondContact CB-OD2 3.49Å; S327-D344 PolarHBondContact N-OD2 2.81Å; S327-D344 PolarHBondContact O-N 2.66Å; S327-D344 PolarHBondContact OG-OD1 3.45Å; S327-D344 PolarHBondContact OG-OD2 2.86Å
328L90.1Very high88Confident13 Ų1349.7 Ų49.77%0.06825%0.252CS..EExtended strand (participates in β ladder)trans-72.9137.2162.7-61-179.4000108.9K298 I301 V320K298-L328 PolarHBondContact O-N 2.92Å; I301-L328 HydrophobicContact CD1-CD1 4.15Å; I301-L328 HydrophobicContact CG1-CD1 3.8Å; V320-L328 HydrophobicContact CB-CD2 4.23Å; V320-L328 HydrophobicContact CG2-CD2 3.54Å
329Q86.9Confident88Confident16 Ų1649.4 Ų49.48%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-81.3151.1172-64.5-176.2-6.600109.7R331 S342 L369 S370Q329-R331 PolarHBondContact O-N 3.43Å; Q329-S342 WeakPolarHBondContact CB-OG 3.27Å; Q329-S342 PolarHBondContact N-O 3Å; Q329-S342 PolarHBondContact OE1-OG 3.29Å; Q329-L369 PolarHBondContact NE2-O 2.81Å; Q329-L369 PolarHBondContact OE1-O 2.93Å; Q329-L369 VanDerWaalsContact OE1-O 3.13Å; Q329-S370 VanDerWaalsContact OE1-CB 3.29Å; Q329-S370 PolarHBondContact OE1-OG 2.92Å
330P76.1Confident88.1Confident31 Ų3146.9 Ų46.920%0.20123%0.233CC..EExtended strand (participates in β ladder)trans-79.359.8-169.333.9-40.2000112.4R411P330-R411 WeakPolarHBondContact CB-O 3.3Å
331R83.8Confident88.3Confident34 Ų3445.8 Ų45.813%0.12823%0.226CC..EExtended strand (participates in β ladder)trans-152.898.3177.6-64.3-172.4174.8-92.2-18.9109.4Q329 C341 L371 G412 F415Q329-R331 PolarHBondContact O-N 3.43Å; R331-C341 PolarHBondContact O-SG 3.04Å; R331-C341 VanDerWaalsContact O-SG 3.37Å; R331-L371 WeakPolarHBondContact CD-O 3.4Å; R331-G412 PolarHBondContact NH2-O 2.98Å; R331-F415 VanDerWaalsContact CZ-O 3.3Å; R331-F415 PolarHBondContact NH1-O 3.34Å; R331-F415 VanDerWaalsContact NH2-C 3.35Å; R331-F415 PolarHBondContact NH2-O 3.47Å
332L90.7Very high88.4Confident13 Ų1343.5 Ų43.57%0.06821%0.211CC..EExtended strand (participates in β ladder)trans-101.6133171.7-175.968.2000108.2K273 I275 L294 A296 I301 I339 C341K273-L332 HydrophobicContact CB-CB 4.37Å; K273-L332 HydrophobicContact CG-CB 4.02Å; I275-L332 HydrophobicContact CD1-CB 4.07Å; I275-L332 HydrophobicContact CD1-CD2 3.82Å; I275-L332 HydrophobicContact CD1-CG 3.74Å; I275-L332 WeakPolarHBondContact CD1-O 3.29Å; I275-L332 HydrophobicContact CG1-CD2 4.37Å; L294-L332 HydrophobicContact CB-CD2 3.89Å; L294-L332 HydrophobicContact CD1-CD2 4.37Å; A296-L332 HydrophobicContact CB-CB 4.45Å; A296-L332 HydrophobicContact CB-CD2 4.17Å; I301-L332 HydrophobicContact CD1-CD1 3.54Å; I301-L332 HydrophobicContact CG1-CD1 3.95Å; I301-L332 HydrophobicContact CG2-CD1 4.22Å; I301-L332 HydrophobicContact CG2-CD2 4.05Å; L332-I339 HydrophobicContact CD1-CG2 3.56Å; L332-C341 HydrophobicContact CD1-CB 4.1Å
333Q92.8Very high88.7Confident42 Ų4234.2 Ų34.220%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-118142.2168.3-179.1176.8-22.100109.1I339 V340 S373 F374Q333-I339 WeakPolarHBondContact O-CA 3.49Å; Q333-V340 HydrophobicContact CB-CB 4.43Å; Q333-V340 PolarHBondContact N-O 3.48Å; Q333-V340 PolarHBondContact O-N 2.93Å; Q333-S373 PolarHBondContact OE1-OG 2.81Å; Q333-F374 PolarHBondContact NE2-O 3.49Å; Q333-F374 PolarHBondContact OE1-O 2.77Å
334F92.2Very high88.5Confident10 Ų1032.5 Ų32.54%0.04416%0.158CC..EExtended strand (participates in β ladder)trans-140.6135.5170.6-179.7-128.9000107.4I275 Q277 I292 L294 Y338 I339 F352I275-F334 HydrophobicContact CD1-CB 4.11Å; I275-F334 HydrophobicContact CG2-CB 4.31Å; I275-F334 HydrophobicContact CG2-CD1 4.49Å; Q277-F334 HydrophobicContact CB-CD1 3.86Å; Q277-F334 HydrophobicContact CB-CE1 4.08Å; Q277-F334 HydrophobicContact CG-CD1 4.3Å; Q277-F334 HydrophobicContact CG-CE1 4.43Å; Q277-F334 PolarHBondContact OE1-O 3.33Å; I292-F334 HydrophobicContact CB-CE1 4.23Å; I292-F334 HydrophobicContact CD1-CE1 3.93Å; I292-F334 HydrophobicContact CD1-CZ 3.72Å; I292-F334 HydrophobicContact CG2-CE1 4.44Å; L294-F334 HydrophobicContact CD1-CB 3.61Å; L294-F334 HydrophobicContact CD1-CD1 3.75Å; L294-F334 HydrophobicContact CD1-CD2 3.87Å; L294-F334 HydrophobicContact CD1-CE1 4.39Å; L294-F334 HydrophobicContact CD1-CE2 4.5Å; L294-F334 HydrophobicContact CD1-CG 3.47Å; L294-F334 VanDerWaalsContact CD1-CG 3.47Å; L294-F334 HydrophobicContact CG-CD1 4.41Å; F334-Y338 WeakPolarHBondContact CA-O 3.37Å; F334-Y338 WeakPolarHBondContact CD2-O 3.48Å; F334-I339 HydrophobicContact CD2-CG1 3.59Å; F334-I339 HydrophobicContact CE2-CG1 4.02Å; F334-I339 HydrophobicContact CG-CG1 4.45Å; F334-F352 HydrophobicContact CE2-CB 3.89Å; F334-F352 HydrophobicContact CE2-CD1 4.44Å; F334-F352 AromaticContact CE2-CD2 3.86Å; F334-F352 HydrophobicContact CE2-CD2 3.86Å; F334-F352 AromaticContact CE2-CG 3.77Å; F334-F352 HydrophobicContact CE2-CG 3.77Å; F334-F352 HydrophobicContact CZ-CD1 4.24Å; F334-F352 AromaticContact CZ-CD2 4Å; F334-F352 HydrophobicContact CZ-CD2 4Å; F334-F352 HydrophobicContact CZ-CE2 4.32Å; F334-F352 AromaticContact CZ-CG 3.96Å; F334-F352 HydrophobicContact CZ-CG 3.96Å
335D86.3Confident88.5Confident54 Ų5429.5 Ų29.529%0.28915%0.152SC..  trans-114.15.7177.9636.9000112.4Q277 R337 Y338Q277-D335 PolarHBondContact NE2-O 3.44Å; D335-R337 WeakPolarHBondContact OD1-CA 3.37Å; D335-R337 PolarHBondContact OD1-N 3Å; D335-Y338 PolarHBondContact N-O 2.91Å; D335-Y338 PolarHBondContact OD1-N 2.56Å
336G84.7Confident88.6Confident0 Ų025.4 Ų25.40%012%0.124CC..SBendtrans95.6-11.6-173.700000113.8R278 E280R278-G336 WeakPolarHBondContact O-CA 3.03Å; E280-G336 PolarHBondContact N-O 3.25Å
337R88.4Confident88.9Confident99 Ų9924.1 Ų24.137%0.37412%0.117SC..SBendtrans-127.4-41177.4178.6172.9-175.5-172.7-0.4113.2V281 D335 F352V281-R337 HydrophobicContact CG1-CB 4.05Å; V281-R337 HydrophobicContact CG1-CG 3.78Å; D335-R337 WeakPolarHBondContact OD1-CA 3.37Å; D335-R337 PolarHBondContact OD1-N 3Å; R337-F352 WeakPolarHBondContact O-CB 3.32Å; R337-F352 PolarHBondContact O-N 2.81Å
338Y92.7Very high89.1Confident41 Ų4124 Ų2416%0.16111%0.113CC..EExtended strand (participates in β ladder)trans-120.4132.9-175.6-59.8-57.6000110.7F334 D335 Q349 W350 L358F334-Y338 WeakPolarHBondContact CA-O 3.37Å; F334-Y338 WeakPolarHBondContact CD2-O 3.48Å; D335-Y338 PolarHBondContact N-O 2.91Å; D335-Y338 PolarHBondContact OD1-N 2.56Å; Y338-Q349 HydrophobicContact CD1-CG 4.32Å; Y338-Q349 HydrophobicContact CG-CG 4.43Å; Y338-W350 WeakPolarHBondContact CA-O 3.48Å; Y338-L358 HydrophobicContact CD1-CD1 3.85Å; Y338-L358 HydrophobicContact CE1-CD1 3.4Å; Y338-L358 VanDerWaalsContact CE1-CD1 3.4Å
339I94.7Very high89.3Confident0 Ų024.3 Ų24.30%011%0.114CC..EExtended strand (participates in β ladder)trans-97.3129.3167.9-59.8172000106.9L294 I301 L318 L332 Q333 F334 Q349 W350 F352L294-I339 HydrophobicContact CD1-CD1 3.83Å; L294-I339 HydrophobicContact CD1-CG1 3.79Å; L294-I339 HydrophobicContact CD2-CD1 4.04Å; I301-I339 HydrophobicContact CD1-CG2 4.25Å; L318-I339 HydrophobicContact CD1-CD1 3.65Å; L332-I339 HydrophobicContact CD1-CG2 3.56Å; Q333-I339 WeakPolarHBondContact O-CA 3.49Å; F334-I339 HydrophobicContact CD2-CG1 3.59Å; F334-I339 HydrophobicContact CE2-CG1 4.02Å; F334-I339 HydrophobicContact CG-CG1 4.45Å; I339-Q349 CarbonylContact O-C 3.56Å; I339-Q349 WeakPolarHBondContact O-CA 2.72Å; I339-W350 HydrophobicContact CB-CB 4.27Å; I339-W350 HydrophobicContact CB-CE3 4.48Å; I339-W350 HydrophobicContact CG2-CE3 4.23Å; I339-W350 PolarHBondContact N-O 2.95Å; I339-W350 PolarHBondContact O-N 3.18Å; I339-F352 HydrophobicContact CD1-CD2 3.89Å; I339-F352 HydrophobicContact CG1-CD2 4.39Å
340V94.8Very high89.7Confident3 Ų323.8 Ų23.82%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-129.4132.8178.8-1670000110.6Q333 V347 Y348 Q349 L371 F374Q333-V340 HydrophobicContact CB-CB 4.43Å; Q333-V340 PolarHBondContact N-O 3.48Å; Q333-V340 PolarHBondContact O-N 2.93Å; V340-V347 HydrophobicContact CG1-CG1 3.75Å; V340-Y348 WeakPolarHBondContact CA-O 3.29Å; V340-Y348 WeakPolarHBondContact CG1-O 3.43Å; V340-Q349 HydrophobicContact CG2-CB 4.38Å; V340-Q349 HydrophobicContact CG2-CG 4.13Å; V340-L371 HydrophobicContact CB-CD2 4.28Å; V340-L371 HydrophobicContact CG1-CD2 3.61Å; V340-F374 HydrophobicContact CB-CB 4.23Å; V340-F374 HydrophobicContact CB-CG 4.38Å; V340-F374 HydrophobicContact CG1-CB 3.9Å; V340-F374 HydrophobicContact CG1-CD1 4.3Å; V340-F374 HydrophobicContact CG1-CD2 3.76Å; V340-F374 HydrophobicContact CG1-CE2 4.31Å; V340-F374 HydrophobicContact CG1-CG 3.74Å; V340-F374 HydrophobicContact CG2-CB 4.15Å; V340-F374 HydrophobicContact CG2-CD1 3.93Å; V340-F374 HydrophobicContact CG2-CG 4.08Å
341C92.8Very high90.5Very high1 Ų123.5 Ų23.51%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-148.9146.3176.2-167.10000110.6I301 R331 L332 Y348 W350I301-C341 HydrophobicContact CD1-CB 3.97Å; R331-C341 PolarHBondContact O-SG 3.04Å; R331-C341 VanDerWaalsContact O-SG 3.37Å; L332-C341 HydrophobicContact CD1-CB 4.1Å; C341-Y348 PolarHBondContact N-O 3.16Å; C341-Y348 PolarHBondContact O-N 2.94Å; C341-W350 HydrophobicContact CB-CH2 4.47Å; C341-W350 HydrophobicContact CB-CZ3 3.97Å
342S89.8Confident90.8Very high0 Ų021.9 Ų21.90%010%0.102CC..EExtended strand (participates in β ladder)trans-91.1150.316952.20000111.6Q329 G346 L371Q329-S342 WeakPolarHBondContact CB-OG 3.27Å; Q329-S342 PolarHBondContact N-O 3Å; Q329-S342 PolarHBondContact OE1-OG 3.29Å; S342-G346 CarbonylContact C-O 3.52Å; S342-G346 WeakPolarHBondContact CA-O 3.33Å; S342-L371 WeakPolarHBondContact OG-CB 3.29Å; S342-L371 PolarHBondContact OG-N 2.92Å
343S89.8Confident90.7Very high0 Ų022.4 Ų22.40%011%0.109CC..EExtended strand (participates in β ladder)trans-131.5177.9172.175.30000110.4S327 L345 G346 Y348S327-S343 CarbonylContact O-C 3.6Å; S327-S343 WeakPolarHBondContact O-CA 3.21Å; S327-S343 VanDerWaalsContact O-CB 3.31Å; S327-S343 WeakPolarHBondContact O-CB 3.44Å; S343-L345 PolarHBondContact O-N 3.32Å; S343-L345 PolarHBondContact OG-N 2.81Å; S343-G346 PolarHBondContact N-O 3.5Å; S343-G346 PolarHBondContact O-N 3.38Å; S343-G346 PolarHBondContact OG-O 3.34Å; S343-Y348 WeakPolarHBondContact OG-CE2 3.21Å
344D83.8Confident90.6Very high49 Ų4922.6 Ų22.626%0.26212%0.115SC..THydrogen-bonded Turntrans-61-9.5173.4-60.2-38.5000114S327 P366S327-D344 WeakPolarHBondContact CA-OD2 3.24Å; S327-D344 WeakPolarHBondContact CB-OD2 3.49Å; S327-D344 PolarHBondContact N-OD2 2.81Å; S327-D344 PolarHBondContact O-N 2.66Å; S327-D344 PolarHBondContact OG-OD1 3.45Å; S327-D344 PolarHBondContact OG-OD2 2.86Å; D344-P366 WeakPolarHBondContact O-CB 3.49Å; D344-P366 WeakPolarHBondContact O-CG 3.41Å
345L86.1Confident90.5Very high77 Ų7723.5 Ų23.540%0.40312%0.119SC..THydrogen-bonded Turntrans-107.9-17.7179.8-63.8-175.4000114.5I326 S343 Y348I326-L345 HydrophobicContact CD1-CD1 3.51Å; I326-L345 HydrophobicContact CD1-CG 4.15Å; I326-L345 HydrophobicContact CG1-CD1 4.06Å; I326-L345 HydrophobicContact CG1-CG 4.14Å; I326-L345 HydrophobicContact CG2-CD1 4.21Å; I326-L345 HydrophobicContact CG2-CG 4.05Å; S343-L345 PolarHBondContact O-N 3.32Å; S343-L345 PolarHBondContact OG-N 2.81Å; L345-Y348 HydrophobicContact CB-CE2 4.45Å
346G89.1Confident90.7Very high0 Ų027.4 Ų27.40%014%0.135CC..EExtended strand (participates in β ladder)trans155.8-171.3-171.100000114.4S342 S343 I361S342-G346 CarbonylContact C-O 3.52Å; S342-G346 WeakPolarHBondContact CA-O 3.33Å; S343-G346 PolarHBondContact N-O 3.5Å; S343-G346 PolarHBondContact O-N 3.38Å; S343-G346 PolarHBondContact OG-O 3.34Å; G346-I361 CarbonylContact C-O 3.58Å; G346-I361 WeakPolarHBondContact CA-O 3.3Å
347V91.9Very high91.2Very high2 Ų231.1 Ų31.11%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-100.9132.1173.7-175.70000109.5V340 V360 I361 M363 L371 F374 L381V340-V347 HydrophobicContact CG1-CG1 3.75Å; V347-V360 WeakPolarHBondContact O-CA 3.37Å; V347-I361 HydrophobicContact CB-CB 4.28Å; V347-I361 PolarHBondContact N-O 2.73Å; V347-I361 PolarHBondContact O-N 3.16Å; V347-M363 HydrophobicContact CG2-CE 4.23Å; V347-M363 HydrophobicContact CG2-SD 4.18Å; V347-L371 HydrophobicContact CG1-CD1 4.34Å; V347-L371 HydrophobicContact CG1-CD2 4.31Å; V347-F374 HydrophobicContact CG1-CD2 4.08Å; V347-F374 HydrophobicContact CG1-CE2 3.98Å; V347-L381 HydrophobicContact CG2-CD2 3.9Å
348Y93.5Very high91.3Very high19 Ų1930.7 Ų30.78%0.07516%0.159CC..EExtended strand (participates in β ladder)trans-117.8133.1-176.5-69.3-103.2000109.6V320 V340 C341 S343 L345 W350 I357 V360V320-Y348 HydrophobicContact CB-CE1 4.36Å; V320-Y348 HydrophobicContact CB-CE2 4.46Å; V320-Y348 HydrophobicContact CG1-CD1 4.16Å; V320-Y348 HydrophobicContact CG1-CD2 4.08Å; V320-Y348 HydrophobicContact CG1-CE1 3.55Å; V320-Y348 HydrophobicContact CG1-CE2 3.51Å; V320-Y348 HydrophobicContact CG1-CG 4.4Å; V320-Y348 VanDerWaalsContact CG1-OH 3.31Å; V320-Y348 WeakPolarHBondContact CG1-OH 3.28Å; V320-Y348 HydrophobicContact CG2-CD1 3.93Å; V320-Y348 HydrophobicContact CG2-CD2 3.75Å; V320-Y348 HydrophobicContact CG2-CE1 4.19Å; V320-Y348 HydrophobicContact CG2-CE2 4.07Å; V320-Y348 HydrophobicContact CG2-CG 3.71Å; V340-Y348 WeakPolarHBondContact CA-O 3.29Å; V340-Y348 WeakPolarHBondContact CG1-O 3.43Å; C341-Y348 PolarHBondContact N-O 3.16Å; C341-Y348 PolarHBondContact O-N 2.94Å; S343-Y348 WeakPolarHBondContact OG-CE2 3.21Å; L345-Y348 HydrophobicContact CB-CE2 4.45Å; Y348-W350 HydrophobicContact CD1-CZ2 4.44Å; Y348-W350 HydrophobicContact CG-CH2 4.02Å; Y348-W350 HydrophobicContact CG-CZ2 4.36Å; Y348-W350 WeakPolarHBondContact O-CZ3 3.47Å; Y348-I357 HydrophobicContact CD1-CD1 4.21Å; Y348-I357 HydrophobicContact CD1-CG2 4.4Å; Y348-V360 HydrophobicContact CD1-CG1 4.21Å; Y348-V360 HydrophobicContact CD1-CG2 3.76Å; Y348-V360 HydrophobicContact CE1-CB 4.34Å; Y348-V360 HydrophobicContact CE1-CG1 3.7Å; Y348-V360 HydrophobicContact CE1-CG2 3.71Å; Y348-V360 HydrophobicContact CE2-CG1 4.28Å
349Q94.8Very high91.2Very high19 Ų1932.5 Ų32.59%0.08917%0.165CC..EExtended strand (participates in β ladder)trans-118.6120.5173.9-179.5-178.216.300108.7Y338 I339 V340 L358 R359Y338-Q349 HydrophobicContact CD1-CG 4.32Å; Y338-Q349 HydrophobicContact CG-CG 4.43Å; I339-Q349 CarbonylContact O-C 3.56Å; I339-Q349 WeakPolarHBondContact O-CA 2.72Å; V340-Q349 HydrophobicContact CG2-CB 4.38Å; V340-Q349 HydrophobicContact CG2-CG 4.13Å; Q349-L358 PolarHBondContact O-N 3.05Å; Q349-R359 HydrophobicContact CB-CB 4.02Å; Q349-R359 PolarHBondContact N-O 3.26Å; Q349-R359 PolarHBondContact O-N 2.76Å
350W94.9Very high91.1Very high5 Ų535 Ų352%0.01918%0.181CC..EExtended strand (participates in β ladder)trans-101.6143.8172.1-63.3-100.2000110.2I301 L318 V320 Y338 I339 C341 Y348 E356 I357I301-W350 HydrophobicContact CD1-CH2 4.3Å; I301-W350 HydrophobicContact CD1-CZ3 4.17Å; L318-W350 HydrophobicContact CD1-CG 4.33Å; V320-W350 HydrophobicContact CG2-CH2 3.55Å; V320-W350 HydrophobicContact CG2-CZ2 3.67Å; Y338-W350 WeakPolarHBondContact CA-O 3.48Å; I339-W350 HydrophobicContact CB-CB 4.27Å; I339-W350 HydrophobicContact CB-CE3 4.48Å; I339-W350 HydrophobicContact CG2-CE3 4.23Å; I339-W350 PolarHBondContact N-O 2.95Å; I339-W350 PolarHBondContact O-N 3.18Å; C341-W350 HydrophobicContact CB-CH2 4.47Å; C341-W350 HydrophobicContact CB-CZ3 3.97Å; Y348-W350 HydrophobicContact CD1-CZ2 4.44Å; Y348-W350 HydrophobicContact CG-CH2 4.02Å; Y348-W350 HydrophobicContact CG-CZ2 4.36Å; Y348-W350 WeakPolarHBondContact O-CZ3 3.47Å; W350-E356 CarbonylContact C-O 3.56Å; W350-E356 VanDerWaalsContact CA-O 3.29Å; W350-E356 WeakPolarHBondContact CA-O 3.45Å; W350-I357 HydrophobicContact CD2-CG1 4.49Å; W350-I357 HydrophobicContact CG-CG1 4.3Å
351D92.8Very high90.8Very high25 Ų2535 Ų3513%0.13418%0.181CC..EExtended strand (participates in β ladder)trans-76.1127162.4179.851.9000109.5A353 S354 F355 E356 L358D351-A353 VanDerWaalsContact C-N 3.35Å; D351-A353 PolarHBondContact OD2-N 2.78Å; D351-S354 WeakPolarHBondContact CB-OG 3.47Å; D351-S354 WeakPolarHBondContact OD2-CB 3.47Å; D351-S354 PolarHBondContact OD2-N 3.32Å; D351-S354 PolarHBondContact OD2-OG 2.88Å; D351-F355 WeakPolarHBondContact O-CA 3.4Å; D351-F355 PolarHBondContact O-N 3.09Å; D351-E356 PolarHBondContact N-O 2.95Å; D351-L358 HydrophobicContact CB-CD1 3.7Å; D351-L358 HydrophobicContact CB-CD2 4Å; D351-L358 HydrophobicContact CB-CG 3.72Å
352F90.6Very high90.5Very high0 Ų043.1 Ų43.10%022%0.216CC..THydrogen-bonded Turntrans-71-31.8179.9178.7-104.9000112.7V281 H286 I292 V303 F334 R337 I339 F355V281-F352 HydrophobicContact CG2-CD1 3.93Å; H286-F352 AromaticContact CE1-CZ 3.86Å; H286-F352 AromaticContact ND1-CE1 3.86Å; H286-F352 AromaticContact ND1-CZ 3.53Å; I292-F352 HydrophobicContact CB-CZ 4.36Å; I292-F352 HydrophobicContact CD1-CD1 4.03Å; I292-F352 HydrophobicContact CD1-CE1 3.19Å; I292-F352 HydrophobicContact CD1-CE2 3.96Å; I292-F352 HydrophobicContact CD1-CZ 3.15Å; I292-F352 HydrophobicContact CG1-CE1 4.11Å; I292-F352 HydrophobicContact CG1-CE2 4.45Å; I292-F352 HydrophobicContact CG1-CZ 3.65Å; I292-F352 HydrophobicContact CG2-CE2 3.86Å; I292-F352 HydrophobicContact CG2-CZ 3.86Å; V303-F352 HydrophobicContact CG1-CE2 3.83Å; V303-F352 HydrophobicContact CG1-CZ 4.38Å; F334-F352 HydrophobicContact CE2-CB 3.89Å; F334-F352 HydrophobicContact CE2-CD1 4.44Å; F334-F352 AromaticContact CE2-CD2 3.86Å; F334-F352 HydrophobicContact CE2-CD2 3.86Å; F334-F352 AromaticContact CE2-CG 3.77Å; F334-F352 HydrophobicContact CE2-CG 3.77Å; F334-F352 HydrophobicContact CZ-CD1 4.24Å; F334-F352 AromaticContact CZ-CD2 4Å; F334-F352 HydrophobicContact CZ-CD2 4Å; F334-F352 HydrophobicContact CZ-CE2 4.32Å; F334-F352 AromaticContact CZ-CG 3.96Å; F334-F352 HydrophobicContact CZ-CG 3.96Å; R337-F352 WeakPolarHBondContact O-CB 3.32Å; R337-F352 PolarHBondContact O-N 2.81Å; I339-F352 HydrophobicContact CD1-CD2 3.89Å; I339-F352 HydrophobicContact CG1-CD2 4.39Å; F352-F355 AromaticContact CD2-CE1 3.84Å; F352-F355 HydrophobicContact CD2-CE1 3.84Å; F352-F355 AromaticContact CE2-CE1 3.79Å; F352-F355 HydrophobicContact CE2-CE1 3.79Å; F352-F355 HydrophobicContact CE2-CZ 4.24Å; F352-F355 VanDerWaalsContact O-CE1 3.32Å; F352-F355 WeakPolarHBondContact O-CE1 3.39Å
353A88.7Confident89.7Confident25 Ų2544.4 Ų44.421%0.20722%0.222CC..THydrogen-bonded Turntrans-68-44.7-177.600000112V281 S283 D351V281-A353 HydrophobicContact CG2-CB 4.09Å; S283-A353 PolarHBondContact OG-O 2.84Å; D351-A353 VanDerWaalsContact C-N 3.35Å; D351-A353 PolarHBondContact OD2-N 2.78Å
354S89.6Confident88.8Confident45 Ų4554.6 Ų54.632%0.31527%0.27SS..THydrogen-bonded Turntrans-97.6-19.6-178.761.50000114.9D351 E356D351-S354 WeakPolarHBondContact CB-OG 3.47Å; D351-S354 WeakPolarHBondContact OD2-CB 3.47Å; D351-S354 PolarHBondContact OD2-N 3.32Å; D351-S354 PolarHBondContact OD2-OG 2.88Å; S354-E356 PolarHBondContact O-N 3.37Å; S354-E356 PolarHBondContact OG-N 2.92Å
355F90.3Very high88.2Confident30 Ų3056.5 Ų56.513%0.13228%0.28CS..  trans62.914.7-168.3-54.1-65.2000114.9V303 L315 K316 L318 D351 F352V303-F355 HydrophobicContact CG1-CE1 4.28Å; V303-F355 HydrophobicContact CG1-CZ 4.42Å; V303-F355 HydrophobicContact CG2-CD1 4.46Å; V303-F355 HydrophobicContact CG2-CE1 3.9Å; L315-F355 HydrophobicContact CD2-CE2 4.3Å; L315-F355 HydrophobicContact CD2-CZ 3.88Å; K316-F355 HydrophobicContact CB-CD2 4.42Å; K316-F355 HydrophobicContact CB-CE1 4.45Å; K316-F355 HydrophobicContact CB-CE2 4.34Å; K316-F355 HydrophobicContact CB-CZ 4.35Å; K316-F355 HydrophobicContact CD-CD2 4.34Å; K316-F355 HydrophobicContact CG-CB 4.27Å; K316-F355 HydrophobicContact CG-CD1 4.22Å; K316-F355 HydrophobicContact CG-CD2 4.04Å; K316-F355 HydrophobicContact CG-CE2 4.45Å; K316-F355 HydrophobicContact CG-CG 3.91Å; L318-F355 HydrophobicContact CD2-CB 3.85Å; L318-F355 HydrophobicContact CD2-CD1 4.05Å; L318-F355 HydrophobicContact CD2-CG 4.25Å; D351-F355 WeakPolarHBondContact O-CA 3.4Å; D351-F355 PolarHBondContact O-N 3.09Å; F352-F355 AromaticContact CD2-CE1 3.84Å; F352-F355 HydrophobicContact CD2-CE1 3.84Å; F352-F355 AromaticContact CE2-CE1 3.79Å; F352-F355 HydrophobicContact CE2-CE1 3.79Å; F352-F355 HydrophobicContact CE2-CZ 4.24Å; F352-F355 VanDerWaalsContact O-CE1 3.32Å; F352-F355 WeakPolarHBondContact O-CE1 3.39Å
356E92Very high87.2Confident136 Ų13654 Ų5464%0.63627%0.269SS*.  trans-83.6149.2176.2-64.6-171.9169.500111.6W350 D351 S354 L358W350-E356 CarbonylContact C-O 3.56Å; W350-E356 VanDerWaalsContact CA-O 3.29Å; W350-E356 WeakPolarHBondContact CA-O 3.45Å; D351-E356 PolarHBondContact N-O 2.95Å; S354-E356 PolarHBondContact O-N 3.37Å; S354-E356 PolarHBondContact OG-N 2.92Å; E356-L358 PolarHBondContact O-N 2.9Å
357I93.4Very high86.1Confident77 Ų7756.5 Ų56.540%0.39529%0.289SS..EExtended strand (participates in β ladder)trans-75.1113173.2-64.4168.4000107.9Y348 W350 V360Y348-I357 HydrophobicContact CD1-CD1 4.21Å; Y348-I357 HydrophobicContact CD1-CG2 4.4Å; W350-I357 HydrophobicContact CD2-CG1 4.49Å; W350-I357 HydrophobicContact CG-CG1 4.3Å; I357-V360 HydrophobicContact CG2-CG2 3.46Å; I357-V360 VanDerWaalsContact CG2-CG2 3.46Å
358L92.1Very high85.2Confident91 Ų9159.7 Ų59.748%0.47631%0.306SS..EExtended strand (participates in β ladder)trans-81.4-36.3176.4-66.8-178.2000112.2Y338 Q349 D351 E356Y338-L358 HydrophobicContact CD1-CD1 3.85Å; Y338-L358 HydrophobicContact CE1-CD1 3.4Å; Y338-L358 VanDerWaalsContact CE1-CD1 3.4Å; Q349-L358 PolarHBondContact O-N 3.05Å; D351-L358 HydrophobicContact CB-CD1 3.7Å; D351-L358 HydrophobicContact CB-CD2 4Å; D351-L358 HydrophobicContact CB-CG 3.72Å; E356-L358 PolarHBondContact O-N 2.9Å
359R90.4Very high84.7Confident78 Ų7859.8 Ų59.829%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-147.1138.5-171.8-169.9-173.9-67-132.6-0.9111.3Q349 I361 L392Q349-R359 HydrophobicContact CB-CB 4.02Å; Q349-R359 PolarHBondContact N-O 3.26Å; Q349-R359 PolarHBondContact O-N 2.76Å; R359-I361 HydrophobicContact CG-CG1 4.08Å; R359-L392 PolarHBondContact NH1-O 3.35Å
360V91.8Very high84.3Confident53 Ų5359.6 Ų59.632%0.32131%0.309SS..EExtended strand (participates in β ladder)trans-128.9110171.1-1760000108.4V347 Y348 I357 K362V347-V360 WeakPolarHBondContact O-CA 3.37Å; Y348-V360 HydrophobicContact CD1-CG1 4.21Å; Y348-V360 HydrophobicContact CD1-CG2 3.76Å; Y348-V360 HydrophobicContact CE1-CB 4.34Å; Y348-V360 HydrophobicContact CE1-CG1 3.7Å; Y348-V360 HydrophobicContact CE1-CG2 3.71Å; Y348-V360 HydrophobicContact CE2-CG1 4.28Å; I357-V360 HydrophobicContact CG2-CG2 3.46Å; I357-V360 VanDerWaalsContact CG2-CG2 3.46Å; V360-K362 HydrophobicContact CG1-CG 4.24Å
361I88.4Confident84.1Confident4 Ų459.5 Ų59.52%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-93.3108.1175.1-55.4176.5000107.4G346 V347 R359 M363 F374 M390 L392G346-I361 CarbonylContact C-O 3.58Å; G346-I361 WeakPolarHBondContact CA-O 3.3Å; V347-I361 HydrophobicContact CB-CB 4.28Å; V347-I361 PolarHBondContact N-O 2.73Å; V347-I361 PolarHBondContact O-N 3.16Å; R359-I361 HydrophobicContact CG-CG1 4.08Å; I361-M363 HydrophobicContact CG2-CG 4.42Å; I361-F374 HydrophobicContact CD1-CE2 3.87Å; I361-F374 HydrophobicContact CD1-CZ 4.17Å; I361-M390 HydrophobicContact CD1-SD 4.27Å; I361-M390 HydrophobicContact CG2-CE 4.24Å; I361-M390 HydrophobicContact CG2-SD 3.82Å; I361-L392 HydrophobicContact CD1-CD2 3.45Å; I361-L392 VanDerWaalsContact CD1-CD2 3.45Å
362K85.8Confident84.1Confident171 Ų17159 Ų5974%0.74331%0.305SS*.EExtended strand (participates in β ladder)trans-85.5137.6174.8-64.5-175.8-178179.70109.1V360V360-K362 HydrophobicContact CG1-CG 4.24Å
363M74.1Confident84.1Confident27 Ų2759.1 Ų59.113%0.13331%0.307CS..  trans-117.9151.5-176.7-53.8-176.6-59.600108.5V347 I361 D365 P366 L369 L381V347-M363 HydrophobicContact CG2-CE 4.23Å; V347-M363 HydrophobicContact CG2-SD 4.18Å; I361-M363 HydrophobicContact CG2-CG 4.42Å; M363-D365 VanDerWaalsContact C-N 3.33Å; M363-D365 PolarHBondContact O-N 2.84Å; M363-P366 HydrophobicContact CB-CB 4.25Å; M363-P366 HydrophobicContact CE-CB 4.2Å; M363-P366 WeakPolarHBondContact O-CD 3.33Å; M363-L369 HydrophobicContact CE-CB 3.69Å; M363-L369 HydrophobicContact CE-CD2 3.68Å; M363-L369 HydrophobicContact CE-CG 4.21Å; M363-L369 HydrophobicContact CG-CD2 4.47Å; M363-L369 HydrophobicContact SD-CB 4.28Å; M363-L369 HydrophobicContact SD-CD2 3.12Å; M363-L369 WeakPolarHBondContact SD-CD2 3.4Å; M363-L369 HydrophobicContact SD-CG 4.24Å; M363-L381 HydrophobicContact SD-CD1 3.94Å
364E70.4Confident84.3Confident213 Ų21358.5 Ų58.5100%0.99530%0.299SS*.SBendtrans-65.1-37.3-177.7-66.6-175.9168.600112
365D71.6Confident84.4Confident89 Ų8957 Ų5748%0.47629%0.29SS..SBendtrans-129.278.1172.2-173.35.1000111.1M363 A367 N368M363-D365 VanDerWaalsContact C-N 3.33Å; M363-D365 PolarHBondContact O-N 2.84Å; D365-A367 VanDerWaalsContact C-N 3.31Å; D365-A367 PolarHBondContact O-N 3.13Å; D365-N368 PolarHBondContact O-N 2.88Å; D365-N368 PolarHBondContact OD2-ND2 3.44Å
366P65.1Low84.3Confident26 Ų2659.2 Ų59.217%0.16930%0.302CS..THydrogen-bonded Turntrans-73.1-22.3-17226.4-28.8000113.4D344 M363 N368 L369D344-P366 WeakPolarHBondContact O-CB 3.49Å; D344-P366 WeakPolarHBondContact O-CG 3.41Å; M363-P366 HydrophobicContact CB-CB 4.25Å; M363-P366 HydrophobicContact CE-CB 4.2Å; M363-P366 WeakPolarHBondContact O-CD 3.33Å; P366-N368 PolarHBondContact O-N 2.72Å; P366-L369 PolarHBondContact O-N 3.28Å
367A65.3Low84.1Confident52 Ų5252.9 Ų52.943%0.4327%0.272SS..THydrogen-bonded Turntrans-68.3-26.1179.800000112.8D365D365-A367 VanDerWaalsContact C-N 3.31Å; D365-A367 PolarHBondContact O-N 3.13Å
368N74.3Confident84.1Confident68 Ų6849.4 Ų49.436%0.36425%0.254SS..THydrogen-bonded Turntrans-95.3-17.4-179.2-79.5-33.5000113.9D365 P366 D383D365-N368 PolarHBondContact O-N 2.88Å; D365-N368 PolarHBondContact OD2-ND2 3.44Å; P366-N368 PolarHBondContact O-N 2.72Å; N368-D383 WeakPolarHBondContact O-CA 3.43Å; N368-D383 WeakPolarHBondContact O-CB 3.24Å
369L82.1Confident84.1Confident21 Ų2145.1 Ų45.111%0.1123%0.232CC..  trans-99137.3-176.4-15380000112.1Q329 M363 P366 L381 F382 D383 Y388Q329-L369 PolarHBondContact NE2-O 2.81Å; Q329-L369 PolarHBondContact OE1-O 2.93Å; Q329-L369 VanDerWaalsContact OE1-O 3.13Å; M363-L369 HydrophobicContact CE-CB 3.69Å; M363-L369 HydrophobicContact CE-CD2 3.68Å; M363-L369 HydrophobicContact CE-CG 4.21Å; M363-L369 HydrophobicContact CG-CD2 4.47Å; M363-L369 HydrophobicContact SD-CB 4.28Å; M363-L369 HydrophobicContact SD-CD2 3.12Å; M363-L369 WeakPolarHBondContact SD-CD2 3.4Å; M363-L369 HydrophobicContact SD-CG 4.24Å; P366-L369 PolarHBondContact O-N 3.28Å; L369-L381 HydrophobicContact CD1-CB 4.31Å; L369-L381 HydrophobicContact CD2-CB 3.49Å; L369-L381 VanDerWaalsContact CD2-CB 3.49Å; L369-L381 HydrophobicContact CD2-CD1 3.55Å; L369-L381 HydrophobicContact CD2-CG 4.04Å; L369-L381 HydrophobicContact CG-CB 3.88Å; L369-F382 CarbonylContact C-O 3.59Å; L369-F382 WeakPolarHBondContact CA-O 3.2Å; L369-D383 HydrophobicContact CD1-CB 4.08Å; L369-Y388 HydrophobicContact CD1-CD2 3.53Å; L369-Y388 HydrophobicContact CD1-CE2 3.49Å; L369-Y388 VanDerWaalsContact CD1-CE2 3.49Å
370S86.6Confident84.3Confident16 Ų1641.5 Ų41.511%0.11222%0.218CC..EExtended strand (participates in β ladder)trans-125.4141.8178.1-68.30000112.9Q329 L372 L381 F382Q329-S370 VanDerWaalsContact OE1-CB 3.29Å; Q329-S370 PolarHBondContact OE1-OG 2.92Å; S370-L372 PolarHBondContact O-N 3.45Å; S370-L381 CarbonylContact O-C 3.54Å; S370-L381 VanDerWaalsContact O-CA 3.29Å; S370-L381 WeakPolarHBondContact O-CA 3.32Å; S370-F382 PolarHBondContact N-O 2.9Å; S370-F382 VanDerWaalsContact O-CD1 3.24Å; S370-F382 WeakPolarHBondContact O-CD1 3.39Å; S370-F382 PolarHBondContact O-N 3.06Å
371L91.4Very high84.3Confident3 Ų339 Ų392%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-73.5115.8177.517467.7000110.6R331 V340 S342 V347 S373 F374 L381R331-L371 WeakPolarHBondContact CD-O 3.4Å; V340-L371 HydrophobicContact CB-CD2 4.28Å; V340-L371 HydrophobicContact CG1-CD2 3.61Å; S342-L371 WeakPolarHBondContact OG-CB 3.29Å; S342-L371 PolarHBondContact OG-N 2.92Å; V347-L371 HydrophobicContact CG1-CD1 4.34Å; V347-L371 HydrophobicContact CG1-CD2 4.31Å; L371-S373 WeakPolarHBondContact CD1-O 3.1Å; L371-F374 HydrophobicContact CD1-CB 4.17Å; L371-F374 HydrophobicContact CD1-CD2 4.06Å; L371-L381 HydrophobicContact CB-CD2 4.29Å; L371-L381 HydrophobicContact CD1-CD2 3.7Å
372L91.6Very high84.4Confident13 Ų1339.3 Ų39.37%0.06820%0.204CC..EExtended strand (participates in β ladder)trans-84.2-47.1170.9-178.760.3000111.8S370 L380 F382 L387 F415 A417 F436S370-L372 PolarHBondContact O-N 3.45Å; L372-L380 WeakPolarHBondContact CA-O 3.32Å; L372-L380 HydrophobicContact CB-CB 3.91Å; L372-L380 WeakPolarHBondContact CB-O 3.49Å; L372-L380 HydrophobicContact CD2-CB 4.23Å; L372-L380 HydrophobicContact CD2-CD1 4.2Å; L372-L380 HydrophobicContact CG-CB 4.37Å; L372-L380 PolarHBondContact N-O 2.97Å; L372-F382 HydrophobicContact CB-CD1 3.82Å; L372-F382 HydrophobicContact CB-CE1 4.06Å; L372-F382 HydrophobicContact CD1-CE1 4.39Å; L372-L387 HydrophobicContact CD2-CD1 3.7Å; L372-F415 HydrophobicContact CD1-CB 4.08Å; L372-A417 HydrophobicContact CD1-CB 4.2Å; L372-A417 HydrophobicContact CG-CB 4Å; L372-F436 HydrophobicContact CD2-CB 3.61Å; L372-F436 HydrophobicContact CD2-CG 4.13Å
373S92.4Very high84.5Confident4 Ų432.3 Ų32.33%0.02818%0.175CC..EExtended strand (participates in β ladder)trans-161.9156178.3-172.60000110.7Q333 L371 L380 T420 L423Q333-S373 PolarHBondContact OE1-OG 2.81Å; L371-S373 WeakPolarHBondContact CD1-O 3.1Å; S373-L380 PolarHBondContact N-O 3.37Å; S373-L380 PolarHBondContact O-N 2.77Å; S373-T420 WeakPolarHBondContact OG-CG2 3.46Å; S373-L423 VanDerWaalsContact OG-CD1 3.26Å; S373-L423 WeakPolarHBondContact OG-CD1 3.43Å
374F92.9Very high85Confident11 Ų1134 Ų345%0.04819%0.185CC..EExtended strand (participates in β ladder)trans-128.6142-179.6-155.5-91.6000110.1Q333 V340 V347 I361 L371 A379 L392Q333-F374 PolarHBondContact NE2-O 3.49Å; Q333-F374 PolarHBondContact OE1-O 2.77Å; V340-F374 HydrophobicContact CB-CB 4.23Å; V340-F374 HydrophobicContact CB-CG 4.38Å; V340-F374 HydrophobicContact CG1-CB 3.9Å; V340-F374 HydrophobicContact CG1-CD1 4.3Å; V340-F374 HydrophobicContact CG1-CD2 3.76Å; V340-F374 HydrophobicContact CG1-CE2 4.31Å; V340-F374 HydrophobicContact CG1-CG 3.74Å; V340-F374 HydrophobicContact CG2-CB 4.15Å; V340-F374 HydrophobicContact CG2-CD1 3.93Å; V340-F374 HydrophobicContact CG2-CG 4.08Å; V347-F374 HydrophobicContact CG1-CD2 4.08Å; V347-F374 HydrophobicContact CG1-CE2 3.98Å; I361-F374 HydrophobicContact CD1-CE2 3.87Å; I361-F374 HydrophobicContact CD1-CZ 4.17Å; L371-F374 HydrophobicContact CD1-CB 4.17Å; L371-F374 HydrophobicContact CD1-CD2 4.06Å; F374-A379 HydrophobicContact CD2-CB 3.66Å; F374-A379 HydrophobicContact CE2-CB 4.01Å; F374-A379 HydrophobicContact CG-CB 4.39Å; F374-L392 HydrophobicContact CD1-CD1 4.06Å; F374-L392 HydrophobicContact CD2-CD1 4.48Å; F374-L392 HydrophobicContact CD2-CD2 4.42Å; F374-L392 HydrophobicContact CE1-CD1 3.56Å; F374-L392 HydrophobicContact CE1-CD2 4.38Å; F374-L392 HydrophobicContact CE2-CD1 4.04Å; F374-L392 HydrophobicContact CE2-CD2 3.53Å; F374-L392 HydrophobicContact CE2-CG 4.45Å; F374-L392 HydrophobicContact CZ-CD1 3.55Å; F374-L392 HydrophobicContact CZ-CD2 3.5Å; F374-L392 HydrophobicContact CZ-CG 4.17Å
375G90.8Very high85.8Confident13 Ų1329.8 Ų29.813%0.13417%0.165CC..  trans-133.5-164.6173.600000111.9F378 L392 N424G375-F378 WeakPolarHBondContact CA-O 3.21Å; G375-F378 PolarHBondContact N-O 2.79Å; G375-L392 WeakPolarHBondContact O-CD1 3.34Å; G375-N424 VanDerWaalsContact CA-OD1 3.32Å; G375-N424 WeakPolarHBondContact CA-OD1 3.39Å
376E87.3Confident86.7Confident78 Ų7828.2 Ų28.236%0.36415%0.154SC..SBendtrans-77.5-36.3177.8-65.9-172158.900112.5R108 N424R108-E376 IonicContact CZ-OE1 3.88Å; R108-E376 IonicContact CZ-OE2 3.63Å; R108-E376 IonicContact NE-OE1 3.1Å; R108-E376 IonicContact NE-OE2 3.64Å; R108-E376 PolarHBondContact NE-OE2 2.95Å; R108-E376 IonicContact NH2-OE1 3.69Å; R108-E376 PolarHBondContact NH2-OE1 2.93Å; R108-E376 IonicContact NH2-OE2 2.74Å; E376-N424 HydrophobicContact CB-CB 4.33Å; E376-N424 PolarHBondContact N-OD1 3.28Å
377V88.8Confident88Confident3 Ų327 Ų272%0.01815%0.146CC..SBendtrans-109.4-40.1-173.5-177.70000111.6L392 L423 N424V377-L392 WeakPolarHBondContact O-CB 3.37Å; V377-L392 PolarHBondContact O-N 3.14Å; V377-L423 CarbonylContact C-O 3.6Å; V377-L423 WeakPolarHBondContact CA-O 3.38Å; V377-L423 PolarHBondContact N-O 3.29Å; V377-N424 VanDerWaalsContact CG2-O 3.28Å; V377-N424 WeakPolarHBondContact CG2-O 3.36Å
378F92.2Very high89.3Confident4 Ų426.6 Ų26.62%0.01813%0.134CC..EExtended strand (participates in β ladder)trans-123.8154.1-177.1-57.5-70.7000112.5M130 G375 V389 M390 D391 W422 L423 L426M130-F378 HydrophobicContact CE-CE1 3.95Å; M130-F378 HydrophobicContact CE-CE2 4.38Å; M130-F378 HydrophobicContact CE-CZ 3.63Å; M130-F378 HydrophobicContact SD-CE1 4.05Å; M130-F378 HydrophobicContact SD-CZ 3.66Å; G375-F378 WeakPolarHBondContact CA-O 3.21Å; G375-F378 PolarHBondContact N-O 2.79Å; F378-V389 HydrophobicContact CB-CG1 4.22Å; F378-V389 HydrophobicContact CD1-CG1 3.97Å; F378-V389 HydrophobicContact CG-CG1 4.22Å; F378-M390 CarbonylContact C-O 3.56Å; F378-M390 WeakPolarHBondContact CA-O 3.09Å; F378-D391 HydrophobicContact CD1-CB 4.34Å; F378-D391 HydrophobicContact CE1-CB 4.25Å; F378-W422 HydrophobicContact CD2-CE3 4.46Å; F378-W422 HydrophobicContact CD2-CZ3 4.38Å; F378-L423 HydrophobicContact CB-CB 4.4Å; F378-L423 HydrophobicContact CB-CD2 3.85Å; F378-L423 PolarHBondContact N-O 3.14Å; F378-L426 HydrophobicContact CE2-CD1 4.12Å; F378-L426 HydrophobicContact CE2-CG 4.1Å; F378-L426 HydrophobicContact CZ-CD1 4.36Å
379A93.5Very high90.2Very high1 Ų123.5 Ų23.51%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-124.1144.2163.900000110.6F374 M390 L392F374-A379 HydrophobicContact CD2-CB 3.66Å; F374-A379 HydrophobicContact CE2-CB 4.01Å; F374-A379 HydrophobicContact CG-CB 4.39Å; A379-M390 PolarHBondContact N-O 3.36Å; A379-M390 PolarHBondContact O-N 2.98Å; A379-L392 HydrophobicContact CB-CD1 4.31Å; A379-L392 HydrophobicContact CB-CD2 3.79Å; A379-L392 HydrophobicContact CB-CG 4.18Å
380L93.7Very high90.7Very high1 Ų123.3 Ų23.31%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-98.2119.3170.5-70.4175.5000109.2L372 S373 L387 Y388 V389 W422 L423 V435L372-L380 WeakPolarHBondContact CA-O 3.32Å; L372-L380 HydrophobicContact CB-CB 3.91Å; L372-L380 WeakPolarHBondContact CB-O 3.49Å; L372-L380 HydrophobicContact CD2-CB 4.23Å; L372-L380 HydrophobicContact CD2-CD1 4.2Å; L372-L380 HydrophobicContact CG-CB 4.37Å; L372-L380 PolarHBondContact N-O 2.97Å; S373-L380 PolarHBondContact N-O 3.37Å; S373-L380 PolarHBondContact O-N 2.77Å; L380-L387 HydrophobicContact CB-CD1 4.43Å; L380-L387 HydrophobicContact CD2-CD1 4.34Å; L380-L387 HydrophobicContact CD2-CD2 4.33Å; L380-L387 HydrophobicContact CD2-CG 4.41Å; L380-Y388 WeakPolarHBondContact CA-O 3Å; L380-V389 HydrophobicContact CD2-CG2 3.82Å; L380-W422 HydrophobicContact CD1-CZ2 3.83Å; L380-W422 HydrophobicContact CD2-CH2 3.79Å; L380-W422 HydrophobicContact CD2-CZ2 3.85Å; L380-W422 HydrophobicContact CG-CH2 4.33Å; L380-W422 HydrophobicContact CG-CZ2 4.08Å; L380-L423 HydrophobicContact CD1-CD1 4.36Å; L380-L423 HydrophobicContact CD1-CD2 4.16Å; L380-L423 HydrophobicContact CD2-CD2 4.41Å; L380-L423 HydrophobicContact CG-CD1 4.35Å; L380-L423 HydrophobicContact CG-CD2 3.76Å; L380-V435 HydrophobicContact CD1-CG1 4.33Å
381L91.9Very high90.9Very high1 Ų123.1 Ų23.11%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-124.5154.8178.1-50.8172.2000108.4V347 M363 L369 S370 L371 L387 Y388 M390V347-L381 HydrophobicContact CG2-CD2 3.9Å; M363-L381 HydrophobicContact SD-CD1 3.94Å; L369-L381 HydrophobicContact CD1-CB 4.31Å; L369-L381 HydrophobicContact CD2-CB 3.49Å; L369-L381 VanDerWaalsContact CD2-CB 3.49Å; L369-L381 HydrophobicContact CD2-CD1 3.55Å; L369-L381 HydrophobicContact CD2-CG 4.04Å; L369-L381 HydrophobicContact CG-CB 3.88Å; S370-L381 CarbonylContact O-C 3.54Å; S370-L381 VanDerWaalsContact O-CA 3.29Å; S370-L381 WeakPolarHBondContact O-CA 3.32Å; L371-L381 HydrophobicContact CB-CD2 4.29Å; L371-L381 HydrophobicContact CD1-CD2 3.7Å; L381-L387 CarbonylContact O-C 3.59Å; L381-L387 WeakPolarHBondContact O-CA 3.48Å; L381-Y388 PolarHBondContact N-O 2.82Å; L381-Y388 PolarHBondContact O-N 3.17Å; L381-M390 HydrophobicContact CD1-CB 4.22Å; L381-M390 HydrophobicContact CD1-CE 3.7Å; L381-M390 HydrophobicContact CD1-SD 3.94Å
382F90.3Very high90.8Very high11 Ų1123.1 Ų23.15%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-148.9150.2177.168.9-75.7000112.6L369 S370 L372 F386 L387 L403 Y406 F415L369-F382 CarbonylContact C-O 3.59Å; L369-F382 WeakPolarHBondContact CA-O 3.2Å; S370-F382 PolarHBondContact N-O 2.9Å; S370-F382 VanDerWaalsContact O-CD1 3.24Å; S370-F382 WeakPolarHBondContact O-CD1 3.39Å; S370-F382 PolarHBondContact O-N 3.06Å; L372-F382 HydrophobicContact CB-CD1 3.82Å; L372-F382 HydrophobicContact CB-CE1 4.06Å; L372-F382 HydrophobicContact CD1-CE1 4.39Å; F382-F386 CarbonylContact C-O 3.54Å; F382-F386 WeakPolarHBondContact CA-O 3.12Å; F382-F386 WeakPolarHBondContact CB-O 3.43Å; F382-L387 HydrophobicContact CB-CD1 4.11Å; F382-L403 HydrophobicContact CB-CD1 3.93Å; F382-L403 HydrophobicContact CD2-CD1 4.34Å; F382-Y406 WeakPolarHBondContact CD2-OH 3.08Å; F382-F415 HydrophobicContact CD2-CD1 4.38Å; F382-F415 HydrophobicContact CD2-CE1 4.17Å; F382-F415 HydrophobicContact CD2-CZ 4.29Å; F382-F415 HydrophobicContact CE2-CD1 4.12Å; F382-F415 AromaticContact CE2-CD2 3.84Å; F382-F415 HydrophobicContact CE2-CD2 3.84Å; F382-F415 HydrophobicContact CE2-CE1 4.14Å; F382-F415 AromaticContact CE2-CE2 3.88Å; F382-F415 HydrophobicContact CE2-CE2 3.88Å; F382-F415 AromaticContact CE2-CG 4Å; F382-F415 HydrophobicContact CE2-CG 4Å; F382-F415 HydrophobicContact CE2-CZ 4.03Å; F382-F415 HydrophobicContact CZ-CB 4.28Å; F382-F415 HydrophobicContact CZ-CD1 4.39Å; F382-F415 HydrophobicContact CZ-CD2 4.05Å; F382-F415 HydrophobicContact CZ-CG 4.01Å
383D88.4Confident90.6Very high24 Ų2427.8 Ų27.813%0.12813%0.13CC..  trans-117.8-166166.165.530.2000110N368 L369 H385 F386 Y388 L403 Y406N368-D383 WeakPolarHBondContact O-CA 3.43Å; N368-D383 WeakPolarHBondContact O-CB 3.24Å; L369-D383 HydrophobicContact CD1-CB 4.08Å; D383-H385 PolarHBondContact O-N 2.87Å; D383-H385 VanDerWaalsContact O-N 3.16Å; D383-H385 WeakPolarHBondContact OD1-CA 3.39Å; D383-H385 PolarHBondContact OD1-N 2.94Å; D383-F386 PolarHBondContact N-O 2.68Å; D383-F386 PolarHBondContact OD1-N 2.97Å; D383-Y388 HydrophobicContact CB-CE2 4.36Å; D383-Y388 VanDerWaalsContact OD2-CE2 3.27Å; D383-Y388 WeakPolarHBondContact OD2-CE2 3.44Å; D383-Y388 PolarHBondContact OD2-OH 2.87Å; D383-L403 WeakPolarHBondContact O-CD1 3.46Å; D383-Y406 VanDerWaalsContact C-OH 3.28Å; D383-Y406 PolarHBondContact O-OH 2.71Å
384N84.6Confident90.4Very high62 Ų6231.9 Ų31.933%0.33216%0.155SC..SBendtrans-65.9-13.6-178.9-60.9-33.4000114.5Y406N384-Y406 WeakPolarHBondContact CA-OH 3.36Å
385H87.5Confident90.2Very high125 Ų12536 Ų3658%0.57918%0.175SC*.SBendtrans-125.7-29.4-169.3-61.1-58.2000113.4D383 L403D383-H385 PolarHBondContact O-N 2.87Å; D383-H385 VanDerWaalsContact O-N 3.16Å; D383-H385 WeakPolarHBondContact OD1-CA 3.39Å; D383-H385 PolarHBondContact OD1-N 2.94Å; H385-L403 PolarHBondContact O-N 3.1Å
386F90.4Very high90.1Very high55 Ų5538.1 Ų38.124%0.24119%0.187CC..EExtended strand (participates in β ladder)trans-140.8143.1-173.1-63.4-81.3000112.3F382 D383 Y388 R400 W401 P402 L403F382-F386 CarbonylContact C-O 3.54Å; F382-F386 WeakPolarHBondContact CA-O 3.12Å; F382-F386 WeakPolarHBondContact CB-O 3.43Å; D383-F386 PolarHBondContact N-O 2.68Å; D383-F386 PolarHBondContact OD1-N 2.97Å; F386-Y388 HydrophobicContact CB-CD2 4.3Å; F386-Y388 HydrophobicContact CB-CE1 3.98Å; F386-Y388 HydrophobicContact CB-CE2 3.69Å; F386-Y388 WeakPolarHBondContact O-CE2 3.34Å; F386-R400 HydrophobicContact CD1-CB 4.42Å; F386-R400 HydrophobicContact CD1-CG 4.31Å; F386-W401 CarbonylContact C-O 3.54Å; F386-W401 VanDerWaalsContact CA-O 3.24Å; F386-W401 WeakPolarHBondContact CA-O 3.46Å; F386-P402 HydrophobicContact CD1-CB 4.42Å; F386-P402 HydrophobicContact CE1-CB 4.21Å; F386-L403 VanDerWaalsContact C-CD1 3.46Å
387L91.6Very high90.2Very high2 Ų238.3 Ų38.31%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-88137.9156.2178.377.7000107.5F139 L372 L380 L381 F382 R400 W401 L403 V435 F436F139-L387 HydrophobicContact CE2-CD2 4.24Å; L372-L387 HydrophobicContact CD2-CD1 3.7Å; L380-L387 HydrophobicContact CB-CD1 4.43Å; L380-L387 HydrophobicContact CD2-CD1 4.34Å; L380-L387 HydrophobicContact CD2-CD2 4.33Å; L380-L387 HydrophobicContact CD2-CG 4.41Å; L381-L387 CarbonylContact O-C 3.59Å; L381-L387 WeakPolarHBondContact O-CA 3.48Å; F382-L387 HydrophobicContact CB-CD1 4.11Å; L387-R400 CarbonylContact O-C 3.59Å; L387-R400 WeakPolarHBondContact O-CA 3.28Å; L387-W401 HydrophobicContact CB-CB 4.28Å; L387-W401 PolarHBondContact N-O 3.02Å; L387-W401 PolarHBondContact O-N 3.48Å; L387-L403 HydrophobicContact CB-CD1 4.38Å; L387-L403 HydrophobicContact CB-CD2 4.11Å; L387-L403 HydrophobicContact CB-CG 4.28Å; L387-V435 HydrophobicContact CD2-CG1 4.34Å; L387-F436 HydrophobicContact CD2-CD1 3.77Å; L387-F436 HydrophobicContact CD2-CE1 3.82Å
388Y92.2Very high90.2Very high43 Ų4339 Ų3917%0.16920%0.198CC..EExtended strand (participates in β ladder)trans-119.8135.8179.6-57.5-88.6000109.4L369 L380 L381 D383 F386 V397 R400L369-Y388 HydrophobicContact CD1-CD2 3.53Å; L369-Y388 HydrophobicContact CD1-CE2 3.49Å; L369-Y388 VanDerWaalsContact CD1-CE2 3.49Å; L380-Y388 WeakPolarHBondContact CA-O 3Å; L381-Y388 PolarHBondContact N-O 2.82Å; L381-Y388 PolarHBondContact O-N 3.17Å; D383-Y388 HydrophobicContact CB-CE2 4.36Å; D383-Y388 VanDerWaalsContact OD2-CE2 3.27Å; D383-Y388 WeakPolarHBondContact OD2-CE2 3.44Å; D383-Y388 PolarHBondContact OD2-OH 2.87Å; F386-Y388 HydrophobicContact CB-CD2 4.3Å; F386-Y388 HydrophobicContact CB-CE1 3.98Å; F386-Y388 HydrophobicContact CB-CE2 3.69Å; F386-Y388 WeakPolarHBondContact O-CE2 3.34Å; Y388-V397 HydrophobicContact CD1-CG1 3.95Å; Y388-V397 HydrophobicContact CD1-CG2 4.29Å; Y388-R400 HydrophobicContact CD1-CB 3.92Å; Y388-R400 HydrophobicContact CE1-CB 4.21Å
389V93.4Very high90.1Very high3 Ų339.1 Ų39.12%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-102.3109.4167.3-174.40000106.8L133 F378 L380 S398 G399 W422L133-V389 HydrophobicContact CD2-CG2 4Å; F378-V389 HydrophobicContact CB-CG1 4.22Å; F378-V389 HydrophobicContact CD1-CG1 3.97Å; F378-V389 HydrophobicContact CG-CG1 4.22Å; L380-V389 HydrophobicContact CD2-CG2 3.82Å; V389-S398 PolarHBondContact O-N 2.91Å; V389-G399 PolarHBondContact N-O 2.86Å; V389-G399 PolarHBondContact O-N 2.76Å; V389-W422 HydrophobicContact CG1-CH2 4.14Å; V389-W422 HydrophobicContact CG1-CZ3 4.17Å; V389-W422 HydrophobicContact CG2-CH2 4.19Å
390M92.6Very high90Very high17 Ų1744.8 Ų44.88%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-97.1132.3178.1178.9178.4-79.200109.7I361 F378 A379 L381 S396I361-M390 HydrophobicContact CD1-SD 4.27Å; I361-M390 HydrophobicContact CG2-CE 4.24Å; I361-M390 HydrophobicContact CG2-SD 3.82Å; F378-M390 CarbonylContact C-O 3.56Å; F378-M390 WeakPolarHBondContact CA-O 3.09Å; A379-M390 PolarHBondContact N-O 3.36Å; A379-M390 PolarHBondContact O-N 2.98Å; L381-M390 HydrophobicContact CD1-CB 4.22Å; L381-M390 HydrophobicContact CD1-CE 3.7Å; L381-M390 HydrophobicContact CD1-SD 3.94Å; M390-S396 WeakPolarHBondContact CA-O 3.41Å
391D90.6Very high89.8Confident12 Ų1246.4 Ų46.46%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-80.7120.2166.8-172.8-35.2000108.4F378 R393 E395 S396 S398F378-D391 HydrophobicContact CD1-CB 4.34Å; F378-D391 HydrophobicContact CE1-CB 4.25Å; D391-R393 PolarHBondContact O-N 3.01Å; D391-R393 VanDerWaalsContact OD1-CB 3.31Å; D391-R393 WeakPolarHBondContact OD1-CB 3.38Å; D391-R393 IonicContact OD1-CZ 3.73Å; D391-R393 PolarHBondContact OD1-N 3.34Å; D391-R393 IonicContact OD1-NE 3.31Å; D391-R393 PolarHBondContact OD1-NE 3.41Å; D391-R393 IonicContact OD1-NH2 3.72Å; D391-R393 IonicContact OD2-CZ 2.7Å; D391-R393 IonicContact OD2-NE 2.53Å; D391-R393 IonicContact OD2-NH2 3.32Å; D391-R393 PolarHBondContact OD2-NH2 3.36Å; D391-E395 WeakPolarHBondContact O-CA 3.38Å; D391-E395 PolarHBondContact O-N 3.29Å; D391-S396 PolarHBondContact N-O 3.07Å; D391-S396 PolarHBondContact O-N 3.13Å; D391-S398 WeakPolarHBondContact CB-OG 3.46Å
392L90.5Very high89.8Confident3 Ų349.3 Ų49.32%0.01625%0.247CC..THydrogen-bonded Turntrans-74.1-14.8-175.3-69.3175.9000112.7R359 I361 F374 G375 V377 A379R359-L392 PolarHBondContact NH1-O 3.35Å; I361-L392 HydrophobicContact CD1-CD2 3.45Å; I361-L392 VanDerWaalsContact CD1-CD2 3.45Å; F374-L392 HydrophobicContact CD1-CD1 4.06Å; F374-L392 HydrophobicContact CD2-CD1 4.48Å; F374-L392 HydrophobicContact CD2-CD2 4.42Å; F374-L392 HydrophobicContact CE1-CD1 3.56Å; F374-L392 HydrophobicContact CE1-CD2 4.38Å; F374-L392 HydrophobicContact CE2-CD1 4.04Å; F374-L392 HydrophobicContact CE2-CD2 3.53Å; F374-L392 HydrophobicContact CE2-CG 4.45Å; F374-L392 HydrophobicContact CZ-CD1 3.55Å; F374-L392 HydrophobicContact CZ-CD2 3.5Å; F374-L392 HydrophobicContact CZ-CG 4.17Å; G375-L392 WeakPolarHBondContact O-CD1 3.34Å; V377-L392 WeakPolarHBondContact O-CB 3.37Å; V377-L392 PolarHBondContact O-N 3.14Å; A379-L392 HydrophobicContact CB-CD1 4.31Å; A379-L392 HydrophobicContact CB-CD2 3.79Å; A379-L392 HydrophobicContact CB-CG 4.18Å
393R87.6Confident89.7Confident111 Ų11149.7 Ų49.742%0.41925%0.249SC..THydrogen-bonded Turntrans-84.2-35.8-179.7-57.1166.5-63.5158-1.5111.2E104 L105 D391E104-R393 PolarHBondContact O-NH1 3.37Å; L105-R393 VanDerWaalsContact CA-NH1 3.33Å; L105-R393 PolarHBondContact O-NH1 3.09Å; D391-R393 PolarHBondContact O-N 3.01Å; D391-R393 VanDerWaalsContact OD1-CB 3.31Å; D391-R393 WeakPolarHBondContact OD1-CB 3.38Å; D391-R393 IonicContact OD1-CZ 3.73Å; D391-R393 PolarHBondContact OD1-N 3.34Å; D391-R393 IonicContact OD1-NE 3.31Å; D391-R393 PolarHBondContact OD1-NE 3.41Å; D391-R393 IonicContact OD1-NH2 3.72Å; D391-R393 IonicContact OD2-CZ 2.7Å; D391-R393 IonicContact OD2-NE 2.53Å; D391-R393 IonicContact OD2-NH2 3.32Å; D391-R393 PolarHBondContact OD2-NH2 3.36Å
394T87.8Confident89.6Confident89 Ų8950.4 Ų50.455%0.54626%0.255SS..THydrogen-bonded Turntrans-102.2-9.8179.156.90000113.3S396T394-S396 PolarHBondContact O-N 3.18Å; T394-S396 PolarHBondContact OG1-OG 3.43Å
395E88.2Confident89.6Confident99 Ų9951.5 Ų51.546%0.46327%0.273SS..THydrogen-bonded Turntrans53.831.7-173.4-58.5-172.9171.500113D391D391-E395 WeakPolarHBondContact O-CA 3.38Å; D391-E395 PolarHBondContact O-N 3.29Å
396S88.8Confident89.3Confident57 Ų5747.1 Ų47.140%0.39925%0.251SS..EExtended strand (participates in β ladder)trans-116.5150.1-177.8660000111.9M390 D391 T394 S398M390-S396 WeakPolarHBondContact CA-O 3.41Å; D391-S396 PolarHBondContact N-O 3.07Å; D391-S396 PolarHBondContact O-N 3.13Å; T394-S396 PolarHBondContact O-N 3.18Å; T394-S396 PolarHBondContact OG1-OG 3.43Å; S396-S398 PolarHBondContact O-N 3.05Å
397V90.4Very high88.6Confident82 Ų8250 Ų5050%0.49726%0.261SS..EExtended strand (participates in β ladder)trans-71.4115.2176.6179.10000109Y388 G399Y388-V397 HydrophobicContact CD1-CG1 3.95Å; Y388-V397 HydrophobicContact CD1-CG2 4.29Å; V397-G399 VanDerWaalsContact CG1-O 3.28Å; V397-G399 WeakPolarHBondContact CG1-O 3.12Å
398S88.5Confident87.7Confident17 Ų1755.2 Ų55.212%0.11928%0.283CS..EExtended strand (participates in β ladder)trans-84.3-28.2177.3-74.30000112.9K134 V389 D391 S396K134-S398 WeakPolarHBondContact CG-O 3.27Å; V389-S398 PolarHBondContact O-N 2.91Å; D391-S398 WeakPolarHBondContact CB-OG 3.46Å; S396-S398 PolarHBondContact O-N 3.05Å
399G89.1Confident86.9Confident6 Ų653.8 Ų53.86%0.06228%0.28CS..EExtended strand (participates in β ladder)trans-163.4159177.300000110.8L133 V389 V397L133-G399 WeakPolarHBondContact O-CA 3.48Å; V389-G399 PolarHBondContact N-O 2.86Å; V389-G399 PolarHBondContact O-N 2.76Å; V397-G399 VanDerWaalsContact CG1-O 3.28Å; V397-G399 WeakPolarHBondContact CG1-O 3.12Å
400R91.6Very high85.7Confident121 Ų12163.3 Ų63.346%0.45732%0.321SS..EExtended strand (participates in β ladder)trans-137150.9172.867.8177.5-179.7178.8-2.8110.2Q136 F386 L387 Y388Q136-R400 VanDerWaalsContact CG-O 3.31Å; Q136-R400 WeakPolarHBondContact CG-O 2.87Å; F386-R400 HydrophobicContact CD1-CB 4.42Å; F386-R400 HydrophobicContact CD1-CG 4.31Å; L387-R400 CarbonylContact O-C 3.59Å; L387-R400 WeakPolarHBondContact O-CA 3.28Å; Y388-R400 HydrophobicContact CD1-CB 3.92Å; Y388-R400 HydrophobicContact CE1-CB 4.21Å
401W90.5Very high84.7Confident35 Ų3564.2 Ų64.213%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-132.9129.7-179.8-173.8-91.6000110.1Q136 F139 T141 F386 L387 L403Q136-W401 VanDerWaalsContact C-CZ3 3.4Å; Q136-W401 HydrophobicContact CB-CE3 4.25Å; Q136-W401 HydrophobicContact CB-CZ3 4.33Å; Q136-W401 WeakPolarHBondContact O-CZ3 3.18Å; F139-W401 HydrophobicContact CB-CD2 4.03Å; F139-W401 HydrophobicContact CB-CE3 3.91Å; F139-W401 HydrophobicContact CB-CH2 3.94Å; F139-W401 HydrophobicContact CB-CZ2 4.06Å; F139-W401 HydrophobicContact CB-CZ3 3.82Å; F139-W401 HydrophobicContact CD2-CB 4.02Å; F139-W401 AromaticContact CD2-CD2 3.71Å; F139-W401 HydrophobicContact CD2-CD2 3.71Å; F139-W401 AromaticContact CD2-CE3 3.68Å; F139-W401 HydrophobicContact CD2-CE3 3.68Å; F139-W401 AromaticContact CD2-CG 3.83Å; F139-W401 HydrophobicContact CD2-CG 3.83Å; F139-W401 HydrophobicContact CD2-CZ3 4.39Å; F139-W401 HydrophobicContact CE2-CB 4.29Å; F139-W401 HydrophobicContact CG-CD2 4.36Å; F139-W401 HydrophobicContact CG-CE3 4.18Å; F139-W401 HydrophobicContact CG-CZ3 4.47Å; F139-W401 WeakPolarHBondContact O-CH2 3.47Å; T141-W401 HydrophobicContact CG2-CZ2 4.22Å; F386-W401 CarbonylContact C-O 3.54Å; F386-W401 VanDerWaalsContact CA-O 3.24Å; F386-W401 WeakPolarHBondContact CA-O 3.46Å; L387-W401 HydrophobicContact CB-CB 4.28Å; L387-W401 PolarHBondContact N-O 3.02Å; L387-W401 PolarHBondContact O-N 3.48Å; W401-L403 PolarHBondContact O-N 3.23Å
402P90.9Very high83.7Confident62 Ų6264.1 Ų64.140%0.40333%0.325SS..EExtended strand (participates in β ladder)trans-66.5130.9179.927.8-33.9000111F386F386-P402 HydrophobicContact CD1-CB 4.42Å; F386-P402 HydrophobicContact CE1-CB 4.21Å
403L88.1Confident82.6Confident18 Ų1865.3 Ų65.39%0.09433%0.333CS..PPolyproline II helixtrans-95141.1174.9-67.6177.1000110.4F382 D383 H385 F386 L387 W401 Y406 F415 F436F382-L403 HydrophobicContact CB-CD1 3.93Å; F382-L403 HydrophobicContact CD2-CD1 4.34Å; D383-L403 WeakPolarHBondContact O-CD1 3.46Å; H385-L403 PolarHBondContact O-N 3.1Å; F386-L403 VanDerWaalsContact C-CD1 3.46Å; L387-L403 HydrophobicContact CB-CD1 4.38Å; L387-L403 HydrophobicContact CB-CD2 4.11Å; L387-L403 HydrophobicContact CB-CG 4.28Å; W401-L403 PolarHBondContact O-N 3.23Å; L403-Y406 HydrophobicContact CD1-CE1 4.12Å; L403-F415 HydrophobicContact CD1-CE1 4.4Å; L403-F436 HydrophobicContact CD2-CE1 3.78Å; L403-F436 HydrophobicContact CD2-CE2 3.93Å; L403-F436 HydrophobicContact CD2-CZ 3.16Å
404P86.3Confident82.1Confident40 Ų4060.2 Ų60.226%0.2632%0.315SS..PPolyproline II helixtrans-68.1159.4170.333.4-37.2000110Y406 M440P404-Y406 WeakPolarHBondContact O-CD1 3.24Å; P404-Y406 PolarHBondContact O-N 3.35Å; P404-Y406 VanDerWaalsContact O-N 3.11Å; P404-M440 HydrophobicContact CB-CE 3.64Å; P404-M440 HydrophobicContact CG-CE 3.67Å; P404-M440 HydrophobicContact CG-SD 3.94Å
405A84.6Confident82.1Confident84 Ų8456.5 Ų56.569%0.69429%0.291SS*.PPolyproline II helixtrans-60.7119.1176.100000110.7M440A405-M440 VanDerWaalsContact O-CE 3.3Å; A405-M440 WeakPolarHBondContact O-CE 3.14Å
406Y82.8Confident82.2Confident34 Ų3453.3 Ų53.313%0.13328%0.277CS..  trans-127166.7-177.169.3-96.1000111.3F382 D383 N384 L403 P404 F415F382-Y406 WeakPolarHBondContact CD2-OH 3.08Å; D383-Y406 VanDerWaalsContact C-OH 3.28Å; D383-Y406 PolarHBondContact O-OH 2.71Å; N384-Y406 WeakPolarHBondContact CA-OH 3.36Å; L403-Y406 HydrophobicContact CD1-CE1 4.12Å; P404-Y406 WeakPolarHBondContact O-CD1 3.24Å; P404-Y406 PolarHBondContact O-N 3.35Å; P404-Y406 VanDerWaalsContact O-N 3.11Å; Y406-F415 HydrophobicContact CD1-CE1 4.45Å; Y406-F415 HydrophobicContact CD1-CE2 4.23Å; Y406-F415 AromaticContact CD1-CZ 3.48Å; Y406-F415 HydrophobicContact CD1-CZ 3.48Å; Y406-F415 VanDerWaalsContact CD1-CZ 3.48Å; Y406-F415 AromaticContact CD2-CE2 3.23Å; Y406-F415 HydrophobicContact CD2-CE2 3.23Å; Y406-F415 AromaticContact CD2-CZ 3.4Å; Y406-F415 HydrophobicContact CD2-CZ 3.4Å; Y406-F415 HydrophobicContact CE1-CE1 4.39Å; Y406-F415 HydrophobicContact CE1-CE2 4.22Å; Y406-F415 AromaticContact CE1-CZ 3.52Å; Y406-F415 HydrophobicContact CE1-CZ 3.52Å; Y406-F415 HydrophobicContact CE2-CD2 4.45Å; Y406-F415 AromaticContact CE2-CE2 3.26Å; Y406-F415 HydrophobicContact CE2-CE2 3.26Å; Y406-F415 AromaticContact CE2-CZ 3.47Å; Y406-F415 HydrophobicContact CE2-CZ 3.47Å; Y406-F415 VanDerWaalsContact CE2-CZ 3.47Å; Y406-F415 AromaticContact CG-CE2 3.73Å; Y406-F415 HydrophobicContact CG-CE2 3.73Å; Y406-F415 AromaticContact CG-CZ 3.39Å; Y406-F415 HydrophobicContact CG-CZ 3.39Å; Y406-F415 AromaticContact CZ-CE2 3.75Å; Y406-F415 AromaticContact CZ-CZ 3.5Å
407R75.4Confident82.3Confident115 Ų11551.3 Ų51.343%0.43426%0.264SS..PPolyproline II helixtrans-91.3116.3177.6-169.7-177.1-71.1-1734.7110.8S409 S414R407-S409 PolarHBondContact O-N 2.72Å; R407-S414 PolarHBondContact O-OG 3.29Å
408K71.9Confident82.3Confident111 Ų11147.9 Ų47.948%0.48325%0.245SC..PPolyproline II helixtrans-62.1128.4172.9-162.8168.1-176.5170.70109.9
409S74.4Confident82.2Confident14 Ų1448.8 Ų48.810%0.09825%0.25CS..PPolyproline II helixtrans-102.6124.4174.2-1770000109R407 R411 G412R407-S409 PolarHBondContact O-N 2.72Å; S409-R411 PolarHBondContact O-N 3.46Å; S409-R411 PolarHBondContact OG-N 3.38Å; S409-G412 PolarHBondContact O-N 2.84Å; S409-G412 VanDerWaalsContact O-N 3.09Å
410K70Confident82.1Confident203 Ų20351 Ų5188%0.88326%0.262SS*.THydrogen-bonded Turntrans-59.8-15171.2-68.4-171177.8-175.10113.2
411R71.6Confident81.8Confident36 Ų3647.7 Ų47.714%0.13626%0.258CS..THydrogen-bonded Turntrans-108.33.3-178.5-61.5173.8-66.6159.93.8113F230 P330 S409 S413F230-R411 VanDerWaalsContact CD1-NH1 3.34Å; P330-R411 WeakPolarHBondContact CB-O 3.3Å; S409-R411 PolarHBondContact O-N 3.46Å; S409-R411 PolarHBondContact OG-N 3.38Å; R411-S413 PolarHBondContact O-N 3.26Å
412G68.4Low81.7Confident10 Ų1046 Ų4610%0.10325%0.252CS..SBendtrans69.8-5.1179.100000115.1R331 S409 S414R331-G412 PolarHBondContact NH2-O 2.98Å; S409-G412 PolarHBondContact O-N 2.84Å; S409-G412 VanDerWaalsContact O-N 3.09Å; G412-S414 PolarHBondContact O-N 3.25Å
413S68.5Low81.7Confident27 Ų2743.1 Ų43.119%0.18923%0.233CC..THydrogen-bonded Turntrans-67.9-5.9-168.376.60000116Y152 R411Y152-S413 CarbonylContact O-C 3.56Å; Y152-S413 WeakPolarHBondContact O-CB 3.2Å; Y152-S413 PolarHBondContact O-OG 3.02Å; R411-S413 PolarHBondContact O-N 3.26Å
414S77.3Confident81.6Confident5 Ų545.4 Ų45.44%0.03525%0.245CC..THydrogen-bonded Turntrans-89.3-12.8-176.353.10000115.7L154 R407 G412 T438 S439L154-S414 WeakPolarHBondContact CD1-O 3.36Å; R407-S414 PolarHBondContact O-OG 3.29Å; G412-S414 PolarHBondContact O-N 3.25Å; S414-T438 CarbonylContact O-C 3.57Å; S414-T438 WeakPolarHBondContact O-CA 3.44Å; S414-T438 WeakPolarHBondContact O-CB 3.14Å; S414-T438 PolarHBondContact O-OG1 3.05Å; S414-S439 VanDerWaalsContact CB-OG 3.27Å; S414-S439 WeakPolarHBondContact CB-OG 3.31Å; S414-S439 PolarHBondContact O-N 3.28Å
415F87Confident81.5Confident11 Ų1143.8 Ų43.85%0.04824%0.235CC..EExtended strand (participates in β ladder)trans-125149.7174.4-63.7-118.8000112R331 L372 F382 L403 Y406 F436 A437 T438R331-F415 VanDerWaalsContact CZ-O 3.3Å; R331-F415 PolarHBondContact NH1-O 3.34Å; R331-F415 VanDerWaalsContact NH2-C 3.35Å; R331-F415 PolarHBondContact NH2-O 3.47Å; L372-F415 HydrophobicContact CD1-CB 4.08Å; F382-F415 HydrophobicContact CD2-CD1 4.38Å; F382-F415 HydrophobicContact CD2-CE1 4.17Å; F382-F415 HydrophobicContact CD2-CZ 4.29Å; F382-F415 HydrophobicContact CE2-CD1 4.12Å; F382-F415 AromaticContact CE2-CD2 3.84Å; F382-F415 HydrophobicContact CE2-CD2 3.84Å; F382-F415 HydrophobicContact CE2-CE1 4.14Å; F382-F415 AromaticContact CE2-CE2 3.88Å; F382-F415 HydrophobicContact CE2-CE2 3.88Å; F382-F415 AromaticContact CE2-CG 4Å; F382-F415 HydrophobicContact CE2-CG 4Å; F382-F415 HydrophobicContact CE2-CZ 4.03Å; F382-F415 HydrophobicContact CZ-CB 4.28Å; F382-F415 HydrophobicContact CZ-CD1 4.39Å; F382-F415 HydrophobicContact CZ-CD2 4.05Å; F382-F415 HydrophobicContact CZ-CG 4.01Å; L403-F415 HydrophobicContact CD1-CE1 4.4Å; Y406-F415 HydrophobicContact CD1-CE1 4.45Å; Y406-F415 HydrophobicContact CD1-CE2 4.23Å; Y406-F415 AromaticContact CD1-CZ 3.48Å; Y406-F415 HydrophobicContact CD1-CZ 3.48Å; Y406-F415 VanDerWaalsContact CD1-CZ 3.48Å; Y406-F415 AromaticContact CD2-CE2 3.23Å; Y406-F415 HydrophobicContact CD2-CE2 3.23Å; Y406-F415 AromaticContact CD2-CZ 3.4Å; Y406-F415 HydrophobicContact CD2-CZ 3.4Å; Y406-F415 HydrophobicContact CE1-CE1 4.39Å; Y406-F415 HydrophobicContact CE1-CE2 4.22Å; Y406-F415 AromaticContact CE1-CZ 3.52Å; Y406-F415 HydrophobicContact CE1-CZ 3.52Å; Y406-F415 HydrophobicContact CE2-CD2 4.45Å; Y406-F415 AromaticContact CE2-CE2 3.26Å; Y406-F415 HydrophobicContact CE2-CE2 3.26Å; Y406-F415 AromaticContact CE2-CZ 3.47Å; Y406-F415 HydrophobicContact CE2-CZ 3.47Å; Y406-F415 VanDerWaalsContact CE2-CZ 3.47Å; Y406-F415 AromaticContact CG-CE2 3.73Å; Y406-F415 HydrophobicContact CG-CE2 3.73Å; Y406-F415 AromaticContact CG-CZ 3.39Å; Y406-F415 HydrophobicContact CG-CZ 3.39Å; Y406-F415 AromaticContact CZ-CE2 3.75Å; Y406-F415 AromaticContact CZ-CZ 3.5Å; F415-F436 AromaticContact CD1-CD2 3.89Å; F415-F436 HydrophobicContact CD1-CD2 3.89Å; F415-F436 AromaticContact CD1-CE2 3.96Å; F415-F436 HydrophobicContact CD1-CE2 3.96Å; F415-F436 HydrophobicContact CE1-CD2 4.34Å; F415-F436 AromaticContact CE1-CE2 3.93Å; F415-F436 HydrophobicContact CE1-CE2 3.93Å; F415-A437 WeakPolarHBondContact CA-O 3.44Å; F415-T438 HydrophobicContact CD1-CG2 4.35Å; F415-T438 WeakPolarHBondContact CD2-OG1 3.19Å; F415-T438 HydrophobicContact CE1-CG2 3.91Å; F415-T438 WeakPolarHBondContact CE1-OG1 3.35Å; F415-T438 WeakPolarHBondContact CE2-OG1 3.19Å; F415-T438 WeakPolarHBondContact CG-OG1 3.31Å; F415-T438 HydrophobicContact CZ-CG2 4.17Å; F415-T438 WeakPolarHBondContact CZ-OG1 3.34Å
416L90.3Very high81.4Confident31 Ų3139.9 Ų39.916%0.16220%0.203CC..EExtended strand (participates in β ladder)trans-141133.4179.3173.872.1000109.4L154 Y155 Y156 L161 F436 A437L154-L416 HydrophobicContact CB-CB 3.84Å; L154-L416 HydrophobicContact CB-CD2 3.85Å; L154-L416 HydrophobicContact CB-CG 4.46Å; L154-L416 HydrophobicContact CD1-CB 4.32Å; Y155-L416 VanDerWaalsContact C-CD2 3.48Å; Y156-L416 VanDerWaalsContact CB-CD2 3.47Å; L161-L416 HydrophobicContact CD1-CD2 3.65Å; L416-F436 CarbonylContact O-C 3.6Å; L416-F436 WeakPolarHBondContact O-CA 3.38Å; L416-F436 VanDerWaalsContact O-CB 3.28Å; L416-F436 WeakPolarHBondContact O-CB 3.41Å; L416-A437 PolarHBondContact N-O 3.18Å; L416-A437 PolarHBondContact O-N 2.76Å
417A90.9Very high81Confident16 Ų1641.6 Ų41.613%0.13221%0.214CC..EExtended strand (participates in β ladder)trans-74.1138.9167.700000109.5L372 T420L372-A417 HydrophobicContact CD1-CB 4.2Å; L372-A417 HydrophobicContact CG-CB 4Å; A417-T420 HydrophobicContact CB-CG2 3.83Å
418G90.1Very high80.7Confident9 Ų937.5 Ų37.59%0.09321%0.208CC..  trans-82.6-120.2173.800000111.5L434 V435G418-L434 CarbonylContact C-O 3.54Å; G418-L434 VanDerWaalsContact CA-O 3.31Å; G418-L434 WeakPolarHBondContact CA-O 3.42Å; G418-V435 PolarHBondContact N-O 3.36Å
419V85.8Confident80.9Confident37 Ų3734.7 Ų34.722%0.22421%0.21CC..  trans-73.8125.8174.2-177.30000109Y156 S421 W422 L434Y156-V419 HydrophobicContact CE1-CG2 3.81Å; Y156-V419 WeakPolarHBondContact OH-CG2 3.01Å; V419-S421 VanDerWaalsContact CG1-OG 3.29Å; V419-S421 WeakPolarHBondContact CG1-OG 3.29Å; V419-W422 PolarHBondContact O-NE1 3.4Å; V419-L434 PolarHBondContact N-O 3.47Å
420T87.4Confident81Confident52 Ų5235.4 Ų35.432%0.31921%0.213SC..  trans-112.2-5.9-175.457.10000113.4S373 A417 W422 L423S373-T420 WeakPolarHBondContact OG-CG2 3.46Å; A417-T420 HydrophobicContact CB-CG2 3.83Å; T420-W422 PolarHBondContact O-N 2.6Å; T420-L423 HydrophobicContact CG2-CD1 4.43Å; T420-L423 WeakPolarHBondContact O-CB 3.39Å; T420-L423 WeakPolarHBondContact O-CG 3.4Å; T420-L423 PolarHBondContact O-N 3.48Å
421S86.3Confident81.5Confident52 Ų5225.9 Ų25.936%0.36417%0.172SC..G310 helixtrans-60.9-31.7-17950.60000113.2V419 L423 N424V419-S421 VanDerWaalsContact CG1-OG 3.29Å; V419-S421 WeakPolarHBondContact CG1-OG 3.29Å; S421-L423 PolarHBondContact O-N 2.82Å; S421-N424 WeakPolarHBondContact O-CB 3.4Å; S421-N424 PolarHBondContact O-N 3.05Å
422W88.5Confident82.2Confident0 Ų027.4 Ų27.40%019%0.188CC..G310 helixtrans-64.2-18.8174.672.6-94000113.9F378 L380 V389 V419 T420 N424 G425 L426 N430 D431 V435 W450F378-W422 HydrophobicContact CD2-CE3 4.46Å; F378-W422 HydrophobicContact CD2-CZ3 4.38Å; L380-W422 HydrophobicContact CD1-CZ2 3.83Å; L380-W422 HydrophobicContact CD2-CH2 3.79Å; L380-W422 HydrophobicContact CD2-CZ2 3.85Å; L380-W422 HydrophobicContact CG-CH2 4.33Å; L380-W422 HydrophobicContact CG-CZ2 4.08Å; V389-W422 HydrophobicContact CG1-CH2 4.14Å; V389-W422 HydrophobicContact CG1-CZ3 4.17Å; V389-W422 HydrophobicContact CG2-CH2 4.19Å; V419-W422 PolarHBondContact O-NE1 3.4Å; T420-W422 PolarHBondContact O-N 2.6Å; W422-N424 PolarHBondContact O-N 2.96Å; W422-G425 CarbonylContact C-O 3.6Å; W422-G425 WeakPolarHBondContact CA-O 3.32Å; W422-G425 CarbonylContact O-C 3.52Å; W422-G425 PolarHBondContact O-N 2.85Å; W422-L426 HydrophobicContact CB-CD2 4.3Å; W422-L426 HydrophobicContact CE3-CD2 3.82Å; W422-N430 WeakPolarHBondContact CA-ND2 3.26Å; W422-N430 HydrophobicContact CB-CB 4.33Å; W422-D431 HydrophobicContact CB-CB 4.34Å; W422-V435 HydrophobicContact CZ2-CG1 4.26Å; W422-W450 AromaticContact CD1-NE1 3.84Å; W422-W450 AromaticContact CD2-CZ2 3.66Å; W422-W450 HydrophobicContact CD2-CZ2 3.66Å; W422-W450 AromaticContact CE2-CZ2 3.82Å; W422-W450 HydrophobicContact CE3-CH2 4.41Å; W422-W450 AromaticContact CE3-CZ2 3.77Å; W422-W450 HydrophobicContact CE3-CZ2 3.77Å; W422-W450 HydrophobicContact CG-CZ2 4.12Å; W422-W450 HydrophobicContact CH2-CZ2 4.15Å; W422-W450 HydrophobicContact CZ2-CZ2 4.04Å; W422-W450 HydrophobicContact CZ3-CH2 4.43Å; W422-W450 HydrophobicContact CZ3-CZ2 4.03Å; W422-W450 AromaticContact NE1-NE1 3.82Å
423L89.9Confident83.1Confident0 Ų028.5 Ų28.50%020%0.2CC..G310 helixtrans-67.1-14.4173.2-58.2178000112.4S373 V377 F378 L380 T420 S421S373-L423 VanDerWaalsContact OG-CD1 3.26Å; S373-L423 WeakPolarHBondContact OG-CD1 3.43Å; V377-L423 CarbonylContact C-O 3.6Å; V377-L423 WeakPolarHBondContact CA-O 3.38Å; V377-L423 PolarHBondContact N-O 3.29Å; F378-L423 HydrophobicContact CB-CB 4.4Å; F378-L423 HydrophobicContact CB-CD2 3.85Å; F378-L423 PolarHBondContact N-O 3.14Å; L380-L423 HydrophobicContact CD1-CD1 4.36Å; L380-L423 HydrophobicContact CD1-CD2 4.16Å; L380-L423 HydrophobicContact CD2-CD2 4.41Å; L380-L423 HydrophobicContact CG-CD1 4.35Å; L380-L423 HydrophobicContact CG-CD2 3.76Å; T420-L423 HydrophobicContact CG2-CD1 4.43Å; T420-L423 WeakPolarHBondContact O-CB 3.39Å; T420-L423 WeakPolarHBondContact O-CG 3.4Å; T420-L423 PolarHBondContact O-N 3.48Å; S421-L423 PolarHBondContact O-N 2.82Å
424N87Confident84.2Confident66 Ų6627.2 Ų27.235%0.35319%0.191SC..G310 helixtrans-91.1-4.3174.1-55.4-29.5000112.5G375 E376 V377 S421 W422G375-N424 VanDerWaalsContact CA-OD1 3.32Å; G375-N424 WeakPolarHBondContact CA-OD1 3.39Å; E376-N424 HydrophobicContact CB-CB 4.33Å; E376-N424 PolarHBondContact N-OD1 3.28Å; V377-N424 VanDerWaalsContact CG2-O 3.28Å; V377-N424 WeakPolarHBondContact CG2-O 3.36Å; S421-N424 WeakPolarHBondContact O-CB 3.4Å; S421-N424 PolarHBondContact O-N 3.05Å; W422-N424 PolarHBondContact O-N 2.96Å
425G83.4Confident84.9Confident6 Ų627 Ų276%0.06219%0.19CC..  trans150.8152.6-179.100000111.8W107 W422 N430W107-G425 VanDerWaalsContact CD1-CA 3.46Å; W422-G425 CarbonylContact C-O 3.6Å; W422-G425 WeakPolarHBondContact CA-O 3.32Å; W422-G425 CarbonylContact O-C 3.52Å; W422-G425 PolarHBondContact O-N 2.85Å; G425-N430 PolarHBondContact O-ND2 2.76Å; G425-N430 PolarHBondContact O-OD1 3.05Å
426L82.8Confident85.2Confident2 Ų226.6 Ų26.61%0.0119%0.187CC..  trans-104.6108.7179.6-68.3169.3000108.7W107 A126 R129 M130 L133 F378 W422 D431 W450W107-L426 WeakPolarHBondContact CH2-O 3.46Å; W107-L426 WeakPolarHBondContact CZ2-O 3.23Å; A126-L426 HydrophobicContact CB-CB 3.88Å; A126-L426 VanDerWaalsContact CB-O 3.27Å; A126-L426 WeakPolarHBondContact CB-O 3.26Å; R129-L426 HydrophobicContact CB-CD1 4.03Å; M130-L426 HydrophobicContact CE-CD1 3.27Å; M130-L426 HydrophobicContact CG-CD1 4.09Å; M130-L426 HydrophobicContact SD-CD1 4.09Å; L133-L426 HydrophobicContact CD1-CD1 4.41Å; F378-L426 HydrophobicContact CE2-CD1 4.12Å; F378-L426 HydrophobicContact CE2-CG 4.1Å; F378-L426 HydrophobicContact CZ-CD1 4.36Å; W422-L426 HydrophobicContact CB-CD2 4.3Å; W422-L426 HydrophobicContact CE3-CD2 3.82Å; L426-D431 HydrophobicContact CD2-CB 3.69Å; L426-W450 HydrophobicContact CD2-CH2 4.03Å; L426-W450 HydrophobicContact CD2-CZ2 4.24Å
427D73.3Confident85.3Confident70 Ų7025.1 Ų25.137%0.37418%0.18SC..  trans-114-3.8-177.464.410.3000114.2I122 G429 N430I122-D427 HydrophobicContact CG2-CB 4.1Å; D427-G429 VanDerWaalsContact C-N 3.31Å; D427-G429 WeakPolarHBondContact OD1-CA 3.2Å; D427-G429 PolarHBondContact OD1-N 3.32Å; D427-N430 PolarHBondContact OD1-N 2.81Å; D427-N430 PolarHBondContact OD1-OD1 3.03Å; D427-N430 VanDerWaalsContact OD1-OD1 3.08Å
428G70.4Confident85.4Confident30 Ų3024.4 Ų24.431%0.30917%0.174SC..SBendtrans87.4-3.8-176.300000114D431G428-D431 WeakPolarHBondContact CA-OD1 3.33Å; G428-D431 PolarHBondContact N-OD1 3.18Å
429G74.6Confident85.5Confident51 Ų5124.2 Ų24.253%0.52617%0.171SC..SBendtrans-109.1-41.917500000112.5D427 D431 S432D427-G429 VanDerWaalsContact C-N 3.31Å; D427-G429 WeakPolarHBondContact OD1-CA 3.2Å; D427-G429 PolarHBondContact OD1-N 3.32Å; G429-D431 PolarHBondContact N-OD1 3.28Å; G429-S432 PolarHBondContact O-OG 2.7Å
430N77.3Confident85.8Confident29 Ų2923.8 Ų23.816%0.15517%0.167CC..SBendtrans-86.3-15.5-175.765.38.6000114.4W422 G425 D427 S432W422-N430 WeakPolarHBondContact CA-ND2 3.26Å; W422-N430 HydrophobicContact CB-CB 4.33Å; G425-N430 PolarHBondContact O-ND2 2.76Å; G425-N430 PolarHBondContact O-OD1 3.05Å; D427-N430 PolarHBondContact OD1-N 2.81Å; D427-N430 PolarHBondContact OD1-OD1 3.03Å; D427-N430 VanDerWaalsContact OD1-OD1 3.08Å; N430-S432 PolarHBondContact O-N 2.75Å
431D80.6Confident85.9Confident3 Ų324.4 Ų24.42%0.01617%0.172CC..SBendtrans-88.748.4177.360.9-52.2000111.7R129 W422 L426 G428 G429 W450R129-D431 WeakPolarHBondContact CD-OD2 3.32Å; R129-D431 VanDerWaalsContact CG-OD2 3.25Å; R129-D431 WeakPolarHBondContact CG-OD2 3.31Å; R129-D431 IonicContact CZ-OD2 2.9Å; R129-D431 IonicContact NE-OD2 3.72Å; R129-D431 PolarHBondContact NE-OD2 3.47Å; R129-D431 IonicContact NH2-OD2 2.79Å; W422-D431 HydrophobicContact CB-CB 4.34Å; L426-D431 HydrophobicContact CD2-CB 3.69Å; G428-D431 WeakPolarHBondContact CA-OD1 3.33Å; G428-D431 PolarHBondContact N-OD1 3.18Å; G429-D431 PolarHBondContact N-OD1 3.28Å; D431-W450 VanDerWaalsContact C-CD1 3.41Å; D431-W450 VanDerWaalsContact C-CG 3.45Å; D431-W450 HydrophobicContact CB-CD2 4.15Å; D431-W450 HydrophobicContact CB-CE3 4.41Å; D431-W450 HydrophobicContact CB-CH2 4.1Å; D431-W450 HydrophobicContact CB-CZ2 3.83Å; D431-W450 HydrophobicContact CB-CZ3 4.38Å; D431-W450 WeakPolarHBondContact O-CB 3.04Å; D431-W450 VanDerWaalsContact O-CD2 3.3Å
432S85.6Confident86.2Confident68 Ų6827.2 Ų27.248%0.47618%0.183SC..  trans-134.3160.1177.265.80000111.4G429 N430G429-S432 PolarHBondContact O-OG 2.7Å; N430-S432 PolarHBondContact O-N 2.75Å
433G88.4Confident86.4Confident34 Ų3430.3 Ų30.335%0.35120%0.197SC..SBendtrans79.4-150.2177.700000114.3V435 L449 W450G433-V435 PolarHBondContact O-N 2.81Å; G433-L449 WeakPolarHBondContact O-CA 3.4Å; G433-W450 PolarHBondContact O-N 2.85Å
434L91.7Very high86.5Confident0 Ų030.8 Ų30.80%020%0.201CC..EExtended strand (participates in β ladder)trans-72.3123.4-173.3-169.467.3000111.4Y156 V175 G418 V419 F436 A437 L447 L449Y156-L434 HydrophobicContact CD1-CD2 4.47Å; Y156-L434 HydrophobicContact CD2-CB 4.39Å; Y156-L434 HydrophobicContact CD2-CD2 3.43Å; Y156-L434 VanDerWaalsContact CD2-CD2 3.43Å; Y156-L434 HydrophobicContact CE2-CB 3.88Å; Y156-L434 HydrophobicContact CE2-CD2 3.79Å; Y156-L434 HydrophobicContact CG-CD2 3.81Å; V175-L434 HydrophobicContact CG1-CB 4.2Å; V175-L434 HydrophobicContact CG1-CD1 4.14Å; G418-L434 CarbonylContact C-O 3.54Å; G418-L434 VanDerWaalsContact CA-O 3.31Å; G418-L434 WeakPolarHBondContact CA-O 3.42Å; V419-L434 PolarHBondContact N-O 3.47Å; L434-F436 WeakPolarHBondContact CD1-O 3.43Å; L434-A437 HydrophobicContact CD2-CB 4.22Å; L434-L447 HydrophobicContact CD1-CB 4.05Å; L434-L447 HydrophobicContact CD1-CD2 4.01Å; L434-L447 HydrophobicContact CD1-CG 4.5Å; L434-L449 HydrophobicContact CB-CD2 4.33Å; L434-L449 HydrophobicContact CD1-CD2 3.99Å
435V91.2Very high86.9Confident1 Ų127.7 Ų27.71%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-84.5-53.3168.7-178.20000109.1F139 L380 L387 G418 W422 G433 V448 W450F139-V435 HydrophobicContact CD1-CG2 3.74Å; F139-V435 HydrophobicContact CE1-CG1 4.28Å; F139-V435 HydrophobicContact CE1-CG2 3.63Å; F139-V435 HydrophobicContact CZ-CG1 4.11Å; F139-V435 HydrophobicContact CZ-CG2 4.3Å; L380-V435 HydrophobicContact CD1-CG1 4.33Å; L387-V435 HydrophobicContact CD2-CG1 4.34Å; G418-V435 PolarHBondContact N-O 3.36Å; W422-V435 HydrophobicContact CZ2-CG1 4.26Å; G433-V435 PolarHBondContact O-N 2.81Å; V435-V448 WeakPolarHBondContact CA-O 3.3Å; V435-V448 HydrophobicContact CB-CG1 4.36Å; V435-V448 WeakPolarHBondContact CB-O 2.89Å; V435-V448 PolarHBondContact N-O 2.81Å; V435-W450 HydrophobicContact CG2-CD2 4.29Å; V435-W450 HydrophobicContact CG2-CG 3.98Å
436F92.9Very high87.5Confident1 Ų128.6 Ų28.60%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-157.3160.9173.983.1-91000112.5L372 L387 L403 F415 L416 L434 T438 V448L372-F436 HydrophobicContact CD2-CB 3.61Å; L372-F436 HydrophobicContact CD2-CG 4.13Å; L387-F436 HydrophobicContact CD2-CD1 3.77Å; L387-F436 HydrophobicContact CD2-CE1 3.82Å; L403-F436 HydrophobicContact CD2-CE1 3.78Å; L403-F436 HydrophobicContact CD2-CE2 3.93Å; L403-F436 HydrophobicContact CD2-CZ 3.16Å; F415-F436 AromaticContact CD1-CD2 3.89Å; F415-F436 HydrophobicContact CD1-CD2 3.89Å; F415-F436 AromaticContact CD1-CE2 3.96Å; F415-F436 HydrophobicContact CD1-CE2 3.96Å; F415-F436 HydrophobicContact CE1-CD2 4.34Å; F415-F436 AromaticContact CE1-CE2 3.93Å; F415-F436 HydrophobicContact CE1-CE2 3.93Å; L416-F436 CarbonylContact O-C 3.6Å; L416-F436 WeakPolarHBondContact O-CA 3.38Å; L416-F436 VanDerWaalsContact O-CB 3.28Å; L416-F436 WeakPolarHBondContact O-CB 3.41Å; L434-F436 WeakPolarHBondContact CD1-O 3.43Å; F436-T438 HydrophobicContact CE2-CG2 3.89Å; F436-V448 HydrophobicContact CD1-CB 3.58Å; F436-V448 HydrophobicContact CD1-CG1 4.16Å; F436-V448 HydrophobicContact CD1-CG2 3.9Å; F436-V448 HydrophobicContact CE1-CB 3.31Å; F436-V448 HydrophobicContact CE1-CG1 3.84Å; F436-V448 HydrophobicContact CE1-CG2 3.11Å; F436-V448 HydrophobicContact CE2-CG2 4.13Å; F436-V448 HydrophobicContact CG-CB 4.39Å; F436-V448 HydrophobicContact CZ-CB 3.91Å; F436-V448 HydrophobicContact CZ-CG2 3.22Å; F436-V448 PolarHBondContact N-O 3.06Å; F436-V448 PolarHBondContact O-N 2.86Å
437A93.2Very high88Confident0 Ų028.5 Ų28.50%019%0.186CC..EExtended strand (participates in β ladder)trans-126.8146171.800000110.7L154 L161 F415 L416 L434 I445 H446 L447L154-A437 HydrophobicContact CD1-CB 4.38Å; L161-A437 HydrophobicContact CD1-CB 4.2Å; L161-A437 HydrophobicContact CD2-CB 4.07Å; F415-A437 WeakPolarHBondContact CA-O 3.44Å; L416-A437 PolarHBondContact N-O 3.18Å; L416-A437 PolarHBondContact O-N 2.76Å; L434-A437 HydrophobicContact CD2-CB 4.22Å; A437-I445 HydrophobicContact CB-CG2 4.24Å; A437-H446 CarbonylContact C-O 3.59Å; A437-H446 WeakPolarHBondContact CA-O 3.46Å; A437-L447 HydrophobicContact CB-CD2 3.57Å
438T92.8Very high89Confident1 Ų125.2 Ų25.21%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-143148.4175.2-169.50000113.6S414 F415 F436 M440 I445 H446S414-T438 CarbonylContact O-C 3.57Å; S414-T438 WeakPolarHBondContact O-CA 3.44Å; S414-T438 WeakPolarHBondContact O-CB 3.14Å; S414-T438 PolarHBondContact O-OG1 3.05Å; F415-T438 HydrophobicContact CD1-CG2 4.35Å; F415-T438 WeakPolarHBondContact CD2-OG1 3.19Å; F415-T438 HydrophobicContact CE1-CG2 3.91Å; F415-T438 WeakPolarHBondContact CE1-OG1 3.35Å; F415-T438 WeakPolarHBondContact CE2-OG1 3.19Å; F415-T438 WeakPolarHBondContact CG-OG1 3.31Å; F415-T438 HydrophobicContact CZ-CG2 4.17Å; F415-T438 WeakPolarHBondContact CZ-OG1 3.34Å; F436-T438 HydrophobicContact CE2-CG2 3.89Å; T438-M440 HydrophobicContact CG2-SD 4.08Å; T438-I445 CarbonylContact O-C 3.56Å; T438-I445 WeakPolarHBondContact O-CA 3.41Å; T438-H446 HydrophobicContact CG2-CB 3.9Å; T438-H446 PolarHBondContact N-O 3.29Å; T438-H446 PolarHBondContact O-N 2.8Å
439S92.4Very high90.1Very high5 Ų524.7 Ų24.74%0.03516%0.158CC..EExtended strand (participates in β ladder)trans-80.5132175.365.90000111.5V151 S414V151-S439 WeakPolarHBondContact O-CB 3.33Å; V151-S439 PolarHBondContact O-OG 2.93Å; S414-S439 VanDerWaalsContact CB-OG 3.27Å; S414-S439 WeakPolarHBondContact CB-OG 3.31Å; S414-S439 PolarHBondContact O-N 3.28Å
440M92.4Very high90.9Very high29 Ų2922.4 Ų22.414%0.14313%0.134CC..  trans-97.7158.4-177.8-62.5-54.8-69.400113.1P404 A405 T438 D442 H443 S444 H446P404-M440 HydrophobicContact CB-CE 3.64Å; P404-M440 HydrophobicContact CG-CE 3.67Å; P404-M440 HydrophobicContact CG-SD 3.94Å; A405-M440 VanDerWaalsContact O-CE 3.3Å; A405-M440 WeakPolarHBondContact O-CE 3.14Å; T438-M440 HydrophobicContact CG2-SD 4.08Å; M440-D442 WeakPolarHBondContact CB-OD1 3.49Å; M440-D442 PolarHBondContact O-N 3.41Å; M440-H443 PolarHBondContact O-N 3.44Å; M440-H443 VanDerWaalsContact O-N 3.08Å; M440-S444 WeakPolarHBondContact CB-O 3.21Å; M440-S444 WeakPolarHBondContact CB-OG 3.44Å; M440-S444 WeakPolarHBondContact CG-OG 3.37Å; M440-S444 PolarHBondContact N-O 2.77Å; M440-H446 HydrophobicContact CG-CB 3.67Å; M440-H446 HydrophobicContact SD-CB 3.62Å
441P89.9Confident91.5Very high65 Ų6525.2 Ų25.242%0.42215%0.145SC..THydrogen-bonded Turntrans-59.6-27.5178.5-25.636.1000114.7H443P441-H443 VanDerWaalsContact C-N 3.26Å; P441-H443 PolarHBondContact O-N 3.45Å
442D91.2Very high91.1Very high111 Ų11131.7 Ų31.759%0.59418%0.175SC*.THydrogen-bonded Turntrans-86.912.1177.366.8-12.3000113.4M440 S444M440-D442 WeakPolarHBondContact CB-OD1 3.49Å; M440-D442 PolarHBondContact O-N 3.41Å; D442-S444 PolarHBondContact O-N 2.96Å; D442-S444 WeakPolarHBondContact OD1-CB 3.47Å; D442-S444 PolarHBondContact OD1-N 3.26Å; D442-S444 VanDerWaalsContact OD1-N 3.16Å; D442-S444 PolarHBondContact OD1-OG 2.64Å
443H92.6Very high89.7Confident65 Ų6535 Ų3530%0.30119%0.187SC..SBendtrans73.41.5179.1-42.8-40.3000115A149 M440 P441A149-H443 VanDerWaalsContact O-CB 3.29Å; A149-H443 WeakPolarHBondContact O-CB 3.31Å; M440-H443 PolarHBondContact O-N 3.44Å; M440-H443 VanDerWaalsContact O-N 3.08Å; P441-H443 VanDerWaalsContact C-N 3.26Å; P441-H443 PolarHBondContact O-N 3.45Å
444S93.9Very high87.5Confident10 Ų1037.9 Ų37.97%0.0722%0.216CC..  trans-73.4164.317190.40000111.1L144 M440 D442L144-S444 WeakPolarHBondContact O-CA 3.44Å; L144-S444 WeakPolarHBondContact O-CB 3.24Å; M440-S444 WeakPolarHBondContact CB-O 3.21Å; M440-S444 WeakPolarHBondContact CB-OG 3.44Å; M440-S444 WeakPolarHBondContact CG-OG 3.37Å; M440-S444 PolarHBondContact N-O 2.77Å; D442-S444 PolarHBondContact O-N 2.96Å; D442-S444 WeakPolarHBondContact OD1-CB 3.47Å; D442-S444 PolarHBondContact OD1-N 3.26Å; D442-S444 VanDerWaalsContact OD1-N 3.16Å; D442-S444 PolarHBondContact OD1-OG 2.64Å
445I95Very high87.3Confident0 Ų039.8 Ų39.80%023%0.227CC..EExtended strand (participates in β ladder)trans-107123.2167.7-54.7121.1000107.5S143 L144 V151 L154 L161 T163 W173 A437 T438 L447S143-I445 CarbonylContact C-O 3.55Å; S143-I445 VanDerWaalsContact CA-O 3.25Å; S143-I445 WeakPolarHBondContact CA-O 3.31Å; L144-I445 HydrophobicContact CB-CB 4.16Å; L144-I445 HydrophobicContact CB-CD1 3.97Å; L144-I445 HydrophobicContact CD1-CD1 4.45Å; L144-I445 PolarHBondContact N-O 2.86Å; L144-I445 PolarHBondContact O-N 2.79Å; V151-I445 HydrophobicContact CG1-CG1 4.5Å; V151-I445 HydrophobicContact CG2-CG1 4.4Å; L154-I445 HydrophobicContact CD2-CG1 4.41Å; L154-I445 HydrophobicContact CD2-CG2 4.28Å; L161-I445 HydrophobicContact CD2-CG2 3.93Å; T163-I445 HydrophobicContact CG2-CD1 3.59Å; T163-I445 HydrophobicContact CG2-CG1 3.97Å; W173-I445 HydrophobicContact CZ2-CD1 4.1Å; A437-I445 HydrophobicContact CB-CG2 4.24Å; T438-I445 CarbonylContact O-C 3.56Å; T438-I445 WeakPolarHBondContact O-CA 3.41Å; I445-L447 HydrophobicContact CG2-CD2 3.82Å
446H94.4Very high87Confident26 Ų2641.8 Ų41.812%0.1224%0.239CC..EExtended strand (participates in β ladder)trans-90.8128.4173.3-178.177.3000109.4A437 T438 M440A437-H446 CarbonylContact C-O 3.59Å; A437-H446 WeakPolarHBondContact CA-O 3.46Å; T438-H446 HydrophobicContact CG2-CB 3.9Å; T438-H446 PolarHBondContact N-O 3.29Å; T438-H446 PolarHBondContact O-N 2.8Å; M440-H446 HydrophobicContact CG-CB 3.67Å; M440-H446 HydrophobicContact SD-CB 3.62Å
447L94.9Very high86.7Confident0 Ų044.1 Ų44.10%025%0.252CS..EExtended strand (participates in β ladder)trans-112.9139.3179.1-53-179.7000109T141 S142 L144 L161 V175 L434 A437 I445T141-L447 CarbonylContact C-O 3.48Å; T141-L447 VanDerWaalsContact CA-O 3.25Å; T141-L447 WeakPolarHBondContact CA-O 3.42Å; S142-L447 PolarHBondContact N-O 2.92Å; S142-L447 PolarHBondContact O-N 3.33Å; S142-L447 WeakPolarHBondContact OG-CB 3.45Å; S142-L447 WeakPolarHBondContact OG-CD1 3.43Å; L144-L447 HydrophobicContact CD1-CD1 3.85Å; L144-L447 HydrophobicContact CD1-CD2 4.29Å; L144-L447 HydrophobicContact CD1-CG 4.37Å; L144-L447 HydrophobicContact CD2-CD1 3.96Å; L144-L447 HydrophobicContact CG-CD1 3.72Å; L144-L447 HydrophobicContact CG-CG 4.21Å; L161-L447 HydrophobicContact CD2-CD2 3.73Å; V175-L447 HydrophobicContact CG1-CD1 4.27Å; L434-L447 HydrophobicContact CD1-CB 4.05Å; L434-L447 HydrophobicContact CD1-CD2 4.01Å; L434-L447 HydrophobicContact CD1-CG 4.5Å; A437-L447 HydrophobicContact CB-CD2 3.57Å; I445-L447 HydrophobicContact CG2-CD2 3.82Å
448V93.9Very high86.3Confident0 Ų046.6 Ų46.60%027%0.267CS..EExtended strand (participates in β ladder)trans-117.5121.9167.9179.10000107.9F139 E140 T141 V435 F436F139-V448 HydrophobicContact CB-CG1 3.58Å; F139-V448 HydrophobicContact CD2-CG1 4Å; F139-V448 HydrophobicContact CG-CG1 3.85Å; E140-V448 WeakPolarHBondContact O-CA 3.49Å; T141-V448 HydrophobicContact CG2-CG2 4.09Å; V435-V448 WeakPolarHBondContact CA-O 3.3Å; V435-V448 HydrophobicContact CB-CG1 4.36Å; V435-V448 WeakPolarHBondContact CB-O 2.89Å; V435-V448 PolarHBondContact N-O 2.81Å; F436-V448 HydrophobicContact CD1-CB 3.58Å; F436-V448 HydrophobicContact CD1-CG1 4.16Å; F436-V448 HydrophobicContact CD1-CG2 3.9Å; F436-V448 HydrophobicContact CE1-CB 3.31Å; F436-V448 HydrophobicContact CE1-CG1 3.84Å; F436-V448 HydrophobicContact CE1-CG2 3.11Å; F436-V448 HydrophobicContact CE2-CG2 4.13Å; F436-V448 HydrophobicContact CG-CB 4.39Å; F436-V448 HydrophobicContact CZ-CB 3.91Å; F436-V448 HydrophobicContact CZ-CG2 3.22Å; F436-V448 PolarHBondContact N-O 3.06Å; F436-V448 PolarHBondContact O-N 2.86Å
449L93.2Very high85.9Confident19 Ų1949.5 Ų49.510%0.09928%0.283CS..EExtended strand (participates in β ladder)trans-117.3152.5-172.4-62.3160.3000108.9F139 E140 S142 V175 G433 L434F139-L449 CarbonylContact C-O 3.53Å; F139-L449 WeakPolarHBondContact CA-O 3.2Å; F139-L449 WeakPolarHBondContact CB-O 3.48Å; E140-L449 HydrophobicContact CG-CB 3.91Å; E140-L449 PolarHBondContact N-O 2.6Å; E140-L449 PolarHBondContact O-N 3.14Å; S142-L449 WeakPolarHBondContact OG-CD1 3.49Å; V175-L449 HydrophobicContact CG1-CD2 3.53Å; G433-L449 WeakPolarHBondContact O-CA 3.4Å; L434-L449 HydrophobicContact CB-CD2 4.33Å; L434-L449 HydrophobicContact CD1-CD2 3.99Å
450W91.3Very high85.5Confident4 Ų452.5 Ų52.52%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-64133.8164.1-77.9103.9000110.2L133 A138 F139 W422 L426 D431 G433 V435 E452L133-W450 HydrophobicContact CD1-CH2 4.19Å; L133-W450 HydrophobicContact CD2-CH2 4.39Å; L133-W450 HydrophobicContact CG-CH2 4.46Å; A138-W450 HydrophobicContact CB-CE3 4.43Å; A138-W450 HydrophobicContact CB-CZ3 3.95Å; F139-W450 HydrophobicContact CD1-CD2 4.2Å; F139-W450 HydrophobicContact CD1-CE3 4.03Å; F139-W450 HydrophobicContact CD1-CZ3 4.34Å; F139-W450 AromaticContact CE1-CD2 3.91Å; F139-W450 HydrophobicContact CE1-CD2 3.91Å; F139-W450 AromaticContact CE1-CE2 3.94Å; F139-W450 AromaticContact CE1-CE3 3.8Å; F139-W450 HydrophobicContact CE1-CE3 3.8Å; F139-W450 AromaticContact CE1-CH2 3.84Å; F139-W450 HydrophobicContact CE1-CH2 3.84Å; F139-W450 AromaticContact CE1-CZ2 3.92Å; F139-W450 HydrophobicContact CE1-CZ2 3.92Å; F139-W450 AromaticContact CE1-CZ3 3.78Å; F139-W450 HydrophobicContact CE1-CZ3 3.78Å; W422-W450 AromaticContact CD1-NE1 3.84Å; W422-W450 AromaticContact CD2-CZ2 3.66Å; W422-W450 HydrophobicContact CD2-CZ2 3.66Å; W422-W450 AromaticContact CE2-CZ2 3.82Å; W422-W450 HydrophobicContact CE3-CH2 4.41Å; W422-W450 AromaticContact CE3-CZ2 3.77Å; W422-W450 HydrophobicContact CE3-CZ2 3.77Å; W422-W450 HydrophobicContact CG-CZ2 4.12Å; W422-W450 HydrophobicContact CH2-CZ2 4.15Å; W422-W450 HydrophobicContact CZ2-CZ2 4.04Å; W422-W450 HydrophobicContact CZ3-CH2 4.43Å; W422-W450 HydrophobicContact CZ3-CZ2 4.03Å; W422-W450 AromaticContact NE1-NE1 3.82Å; L426-W450 HydrophobicContact CD2-CH2 4.03Å; L426-W450 HydrophobicContact CD2-CZ2 4.24Å; D431-W450 VanDerWaalsContact C-CD1 3.41Å; D431-W450 VanDerWaalsContact C-CG 3.45Å; D431-W450 HydrophobicContact CB-CD2 4.15Å; D431-W450 HydrophobicContact CB-CE3 4.41Å; D431-W450 HydrophobicContact CB-CH2 4.1Å; D431-W450 HydrophobicContact CB-CZ2 3.83Å; D431-W450 HydrophobicContact CB-CZ3 4.38Å; D431-W450 WeakPolarHBondContact O-CB 3.04Å; D431-W450 VanDerWaalsContact O-CD2 3.3Å; G433-W450 PolarHBondContact O-N 2.85Å; V435-W450 HydrophobicContact CG2-CD2 4.29Å; V435-W450 HydrophobicContact CG2-CG 3.98Å; W450-E452 PolarHBondContact O-N 2.87Å
451K89.7Confident85Confident88 Ų8854.1 Ų54.138%0.38331%0.311SS..  trans-67.2121.9174.7-168.4176.8-179.9-178.70109.7R129 E137 A138 N453R129-K451 PolarHBondContact NH1-O 3.07Å; R129-K451 PolarHBondContact NH2-O 3.16Å; E137-K451 WeakPolarHBondContact O-CD 3.49Å; A138-K451 WeakPolarHBondContact O-CB 3.18Å; A138-K451 PolarHBondContact O-N 3.27Å; K451-N453 PolarHBondContact O-N 3.3Å; K451-N453 VanDerWaalsContact O-N 3.14Å
452E73.2Confident84.6Confident139 Ų13953.3 Ų53.365%0.6530%0.302SS*.SBendtrans-68-10.3-170.5-79-163.816000114.7W450W450-E452 PolarHBondContact O-N 2.87Å
453N55.7Low84.1Confident138 Ų13848.5 Ų48.574%0.73828%0.278SS*.  trans-151129.1173.1-68.6-65.9000111.4K451K451-N453 PolarHBondContact O-N 3.3Å; K451-N453 VanDerWaalsContact O-N 3.14Å
454G41.5Very low83.3Confident93 Ų9347 Ų4796%0.95928%0.276SS*.  trans-146.20158.200000110.8L128L128-G454 VanDerWaalsContact CD2-O 3.29Å; L128-G454 WeakPolarHBondContact CD2-O 3.3Å

Retrieved 454 of 454 residues in 386.2 ms (Link to these results)

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