A0A5K4EZZ4_SCHMA Loading...

Calpain catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 816 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M68Low85.6Confident161 Ų16160.5 Ų60.579%0.79330%0.299SS*.  01650-68.6-166.6-80.400108.3
2A79.5Confident86.3Confident9 Ų961.8 Ų61.87%0.07431%0.307CS..  trans-67.3158.5170.800000110.6P4 L7 K309A2-P4 WeakPolarHBondContact O-CD 3.29Å; A2-L7 HydrophobicContact CB-CD1 3.81Å; A2-L7 HydrophobicContact CB-CG 4.31Å; A2-K309 HydrophobicContact CB-CB 4.04Å; A2-K309 HydrophobicContact CB-CG 3.66Å
3D84.9Confident86.7Confident82 Ų8267.5 Ų67.544%0.43932%0.323SS..  trans-66.3119.4166.9179.5-2.2000108.9H5 E6 L7D3-H5 PolarHBondContact O-N 2.95Å; D3-H5 WeakPolarHBondContact OD1-CB 3.25Å; D3-H5 PolarHBondContact OD1-N 2.69Å; D3-E6 HydrophobicContact CB-CB 4.3Å; D3-E6 HydrophobicContact CB-CG 4.01Å; D3-E6 PolarHBondContact O-N 2.86Å; D3-L7 PolarHBondContact O-N 2.64Å
4P86.2Confident87Confident28 Ų2863.8 Ų63.818%0.18231%0.305CS..Hα-helixtrans-55.1-33.6177.2-21.530.4000113.1A2 L7 E8 S44 A47A2-P4 WeakPolarHBondContact O-CD 3.29Å; P4-L7 WeakPolarHBondContact O-CB 3.2Å; P4-L7 PolarHBondContact O-N 2.86Å; P4-E8 WeakPolarHBondContact O-CG 3.43Å; P4-E8 PolarHBondContact O-N 3.15Å; P4-S44 WeakPolarHBondContact O-CB 3.48Å; P4-A47 HydrophobicContact CB-CB 4.21Å; P4-A47 HydrophobicContact CG-CB 3.76Å; P4-A47 WeakPolarHBondContact CG-O 3.41Å
5H88.4Confident87.5Confident92 Ų9262.7 Ų62.743%0.42630%0.299SS..Hα-helixtrans-70.6-33.6-177.9-175.656.9000112.6D3 L7 E8 K9D3-H5 PolarHBondContact O-N 2.95Å; D3-H5 WeakPolarHBondContact OD1-CB 3.25Å; D3-H5 PolarHBondContact OD1-N 2.69Å; H5-L7 VanDerWaalsContact C-N 3.32Å; H5-E8 PolarHBondContact O-N 3.33Å; H5-K9 PolarHBondContact CD2-NZ 3.23Å; H5-K9 WeakPolarHBondContact NE2-CE 3.43Å; H5-K9 PolarHBondContact NE2-NZ 3.01Å; H5-K9 VanDerWaalsContact NE2-NZ 3.14Å; H5-K9 WeakPolarHBondContact O-CG 3.07Å; H5-K9 PolarHBondContact O-N 3.48Å
6E87.5Confident87.9Confident92 Ų9266.9 Ų66.943%0.4331%0.311SS..Hα-helixtrans-65.7-37.5172.3-71.5-170.816000111.8D3 K9 D10D3-E6 HydrophobicContact CB-CB 4.3Å; D3-E6 HydrophobicContact CB-CG 4.01Å; D3-E6 PolarHBondContact O-N 2.86Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-D10 PolarHBondContact O-N 3.42Å
7L87.4Confident88.1Confident1 Ų165.3 Ų65.31%0.00530%0.304CS..Hα-helixtrans-68.1-36176.5-71165.5000112.1A2 D3 P4 H5 D10 A11 N43 A47 K309A2-L7 HydrophobicContact CB-CD1 3.81Å; A2-L7 HydrophobicContact CB-CG 4.31Å; D3-L7 PolarHBondContact O-N 2.64Å; P4-L7 WeakPolarHBondContact O-CB 3.2Å; P4-L7 PolarHBondContact O-N 2.86Å; H5-L7 VanDerWaalsContact C-N 3.32Å; L7-D10 WeakPolarHBondContact O-CB 3.41Å; L7-D10 PolarHBondContact O-N 3.32Å; L7-A11 PolarHBondContact O-N 2.93Å; L7-N43 HydrophobicContact CD1-CB 3.92Å; L7-N43 HydrophobicContact CD2-CB 3.96Å; L7-N43 HydrophobicContact CG-CB 4.49Å; L7-A47 HydrophobicContact CD1-CB 4.08Å; L7-K309 HydrophobicContact CD2-CG 4.44Å
8E90.6Very high88.2Confident38 Ų3861.7 Ų61.718%0.17829%0.288CS..Hα-helixtrans-66.4-40.3172.5-71.4171-154.700112.1P4 H5 D10 A11 D12 S49 T51 L54P4-E8 WeakPolarHBondContact O-CG 3.43Å; P4-E8 PolarHBondContact O-N 3.15Å; H5-E8 PolarHBondContact O-N 3.33Å; E8-D10 VanDerWaalsContact C-N 3.33Å; E8-D10 PolarHBondContact O-N 2.73Å; E8-A11 WeakPolarHBondContact O-CB 3.42Å; E8-A11 PolarHBondContact O-N 3.33Å; E8-A11 VanDerWaalsContact O-N 3.17Å; E8-D12 PolarHBondContact O-N 3.02Å; E8-S49 VanDerWaalsContact OE1-CB 3.3Å; E8-S49 WeakPolarHBondContact OE1-CB 3.43Å; E8-S49 PolarHBondContact OE1-OG 2.79Å; E8-T51 PolarHBondContact OE1-OG1 3.48Å; E8-T51 PolarHBondContact OE2-OG1 3.24Å; E8-L54 HydrophobicContact CG-CD1 4.45Å
9K91.2Very high88.6Confident118 Ų11862.1 Ų62.151%0.51330%0.295SS..Hα-helixtrans-61.4-40.7173.3-77.5174.4175159.80112.4H5 E6 A11 D12 W13H5-K9 PolarHBondContact CD2-NZ 3.23Å; H5-K9 WeakPolarHBondContact NE2-CE 3.43Å; H5-K9 PolarHBondContact NE2-NZ 3.01Å; H5-K9 VanDerWaalsContact NE2-NZ 3.14Å; H5-K9 WeakPolarHBondContact O-CG 3.07Å; H5-K9 PolarHBondContact O-N 3.48Å; E6-K9 PolarHBondContact O-N 3.4Å; K9-A11 VanDerWaalsContact C-N 3.32Å; K9-D12 PolarHBondContact O-N 3.13Å; K9-W13 WeakPolarHBondContact O-CB 3.47Å; K9-W13 PolarHBondContact O-N 3.23Å
10D88.3Confident88.7Confident43 Ų4360.9 Ų60.923%0.2329%0.293CS..Hα-helixtrans-58.2-45.8172.4-100.941.3000111.5E6 L7 E8 D12 W13 F14 A40 K309E6-D10 PolarHBondContact O-N 3.42Å; L7-D10 WeakPolarHBondContact O-CB 3.41Å; L7-D10 PolarHBondContact O-N 3.32Å; E8-D10 VanDerWaalsContact C-N 3.33Å; E8-D10 PolarHBondContact O-N 2.73Å; D10-D12 VanDerWaalsContact C-N 3.33Å; D10-D12 PolarHBondContact O-N 3.1Å; D10-W13 PolarHBondContact O-N 3.41Å; D10-F14 HydrophobicContact CB-CD2 4.43Å; D10-F14 HydrophobicContact CB-CE2 4.29Å; D10-F14 WeakPolarHBondContact O-CD2 3.25Å; D10-F14 WeakPolarHBondContact O-CG 3.41Å; D10-F14 PolarHBondContact O-N 3.24Å; D10-A40 HydrophobicContact CB-CB 4.13Å; D10-K309 IonicContact OD1-NZ 3.2Å; D10-K309 PolarHBondContact OD1-NZ 3.28Å; D10-K309 IonicContact OD2-NZ 2.78Å; D10-K309 PolarHBondContact OD2-NZ 2.79Å
11A90.3Very high88.6Confident2 Ų259.3 Ų59.32%0.01729%0.285CS..Hα-helixtrans-60.1-44.7179.100000111.8L7 E8 K9 F14 K15 A37 A40 L41L7-A11 PolarHBondContact O-N 2.93Å; E8-A11 WeakPolarHBondContact O-CB 3.42Å; E8-A11 PolarHBondContact O-N 3.33Å; E8-A11 VanDerWaalsContact O-N 3.17Å; K9-A11 VanDerWaalsContact C-N 3.32Å; A11-F14 PolarHBondContact O-N 3.18Å; A11-K15 VanDerWaalsContact O-CB 3.3Å; A11-K15 WeakPolarHBondContact O-CB 3.44Å; A11-K15 PolarHBondContact O-N 3.5Å; A11-A37 WeakPolarHBondContact O-CB 3.45Å; A11-A40 HydrophobicContact CB-CB 3.85Å; A11-L41 HydrophobicContact CB-CD2 3.51Å; A11-L41 HydrophobicContact CB-CG 3.66Å
12D93.5Very high89.7Confident75 Ų7553.6 Ų53.640%0.40126%0.257SS..Hα-helixtrans-63.9-42.1175.7172.754.2000112.2E8 K9 D10 K15 R16E8-D12 PolarHBondContact O-N 3.02Å; K9-D12 PolarHBondContact O-N 3.13Å; D10-D12 VanDerWaalsContact C-N 3.33Å; D10-D12 PolarHBondContact O-N 3.1Å; D12-K15 PolarHBondContact O-N 3.31Å; D12-R16 VanDerWaalsContact CG-NH1 3.34Å; D12-R16 PolarHBondContact O-N 3.24Å; D12-R16 IonicContact OD1-CZ 2.64Å; D12-R16 IonicContact OD1-NH1 2.61Å; D12-R16 PolarHBondContact OD1-NH1 2.79Å; D12-R16 IonicContact OD2-CZ 3.74Å; D12-R16 IonicContact OD2-NH1 2.78Å; D12-R16 PolarHBondContact OD2-NH1 2.99Å; D12-R16 IonicContact OD2-NH2 3.13Å; D12-R16 PolarHBondContact OD2-NH2 2.89Å
13W91.1Very high90.2Very high136 Ų13657.6 Ų57.652%0.51528%0.284SS..Hα-helixtrans-60.2-49.8173.6173.7-112000112.6K9 D10 K15 R16 L17K9-W13 WeakPolarHBondContact O-CB 3.47Å; K9-W13 PolarHBondContact O-N 3.23Å; D10-W13 PolarHBondContact O-N 3.41Å; W13-K15 VanDerWaalsContact C-N 3.32Å; W13-K15 PolarHBondContact O-N 2.66Å; W13-R16 PolarHBondContact O-N 2.95Å; W13-L17 HydrophobicContact CD2-CD1 4.47Å; W13-L17 HydrophobicContact CD2-CG 4.49Å; W13-L17 HydrophobicContact CH2-CD2 4.3Å; W13-L17 HydrophobicContact CZ2-CD1 4.01Å; W13-L17 HydrophobicContact CZ2-CD2 3.98Å; W13-L17 HydrophobicContact CZ2-CG 4.16Å; W13-L17 PolarHBondContact O-N 3.34Å
14F91Very high90.3Very high16 Ų1661.2 Ų61.27%0.0729%0.292CS..Hα-helixtrans-63.2-38.6177-72.5-52.4000112D10 A11 R16 L17 A18 Y33 E36 A37 A278D10-F14 HydrophobicContact CB-CD2 4.43Å; D10-F14 HydrophobicContact CB-CE2 4.29Å; D10-F14 WeakPolarHBondContact O-CD2 3.25Å; D10-F14 WeakPolarHBondContact O-CG 3.41Å; D10-F14 PolarHBondContact O-N 3.24Å; A11-F14 PolarHBondContact O-N 3.18Å; F14-R16 PolarHBondContact O-N 2.78Å; F14-L17 HydrophobicContact CD1-CD1 4.39Å; F14-L17 PolarHBondContact O-N 3.19Å; F14-A18 WeakPolarHBondContact O-CB 3.49Å; F14-A18 PolarHBondContact O-N 3.39Å; F14-Y33 AromaticContact CD1-CD1 3.86Å; F14-Y33 HydrophobicContact CD1-CD1 3.86Å; F14-Y33 HydrophobicContact CD1-CE1 4.41Å; F14-Y33 HydrophobicContact CE1-CD1 4.46Å; F14-E36 HydrophobicContact CB-CB 4.28Å; F14-E36 HydrophobicContact CD1-CB 3.89Å; F14-E36 HydrophobicContact CD2-CB 3.83Å; F14-E36 HydrophobicContact CE1-CB 4.13Å; F14-E36 HydrophobicContact CE2-CB 4.08Å; F14-E36 HydrophobicContact CG-CB 3.74Å; F14-E36 HydrophobicContact CZ-CB 4.22Å; F14-A37 HydrophobicContact CB-CB 3.81Å; F14-A278 HydrophobicContact CE1-CB 4.07Å; F14-A278 HydrophobicContact CZ-CB 4.36Å
15K94.5Very high90.4Very high48 Ų4867 Ų6721%0.20931%0.314CS..Hα-helixtrans-59.7-44.5174.2172.661.6177.8-179.80111.7A11 D12 W13 L17 A18 V19 Y34 A37 Y61A11-K15 VanDerWaalsContact O-CB 3.3Å; A11-K15 WeakPolarHBondContact O-CB 3.44Å; A11-K15 PolarHBondContact O-N 3.5Å; D12-K15 PolarHBondContact O-N 3.31Å; W13-K15 VanDerWaalsContact C-N 3.32Å; W13-K15 PolarHBondContact O-N 2.66Å; K15-L17 PolarHBondContact O-N 3.48Å; K15-A18 WeakPolarHBondContact O-CB 3.42Å; K15-A18 PolarHBondContact O-N 2.7Å; K15-V19 HydrophobicContact CD-CG2 4.23Å; K15-V19 WeakPolarHBondContact O-CG2 3.47Å; K15-V19 PolarHBondContact O-N 3.26Å; K15-Y34 HydrophobicContact CD-CD1 4.16Å; K15-Y34 HydrophobicContact CD-CE1 3.39Å; K15-Y34 PolarHBondContact NZ-OH 2.78Å; K15-A37 HydrophobicContact CB-CB 4.44Å; K15-Y61 HydrophobicContact CB-CE2 4.45Å; K15-Y61 HydrophobicContact CD-CE1 3.8Å; K15-Y61 HydrophobicContact CG-CE1 4.49Å
16R94.8Very high90Very high130 Ų13066.9 Ų66.949%0.49131%0.314SS..Hα-helixtrans-59.9-44.4174.9-77.1-169.3-73.5-96.9-10.5112.3D12 W13 F14 A18 V19 S20D12-R16 VanDerWaalsContact CG-NH1 3.34Å; D12-R16 PolarHBondContact O-N 3.24Å; D12-R16 IonicContact OD1-CZ 2.64Å; D12-R16 IonicContact OD1-NH1 2.61Å; D12-R16 PolarHBondContact OD1-NH1 2.79Å; D12-R16 IonicContact OD2-CZ 3.74Å; D12-R16 IonicContact OD2-NH1 2.78Å; D12-R16 PolarHBondContact OD2-NH1 2.99Å; D12-R16 IonicContact OD2-NH2 3.13Å; D12-R16 PolarHBondContact OD2-NH2 2.89Å; W13-R16 PolarHBondContact O-N 2.95Å; F14-R16 PolarHBondContact O-N 2.78Å; R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.05Å; R16-V19 PolarHBondContact O-N 3.33Å; R16-S20 PolarHBondContact O-N 2.66Å
17L90Very high90Very high39 Ų3964 Ų6420%0.20430%0.3CS..Hα-helixtrans-61.8-42.3175.3-68.7177.4000111.6W13 F14 K15 V19 S20 E21 Y33W13-L17 HydrophobicContact CD2-CD1 4.47Å; W13-L17 HydrophobicContact CD2-CG 4.49Å; W13-L17 HydrophobicContact CH2-CD2 4.3Å; W13-L17 HydrophobicContact CZ2-CD1 4.01Å; W13-L17 HydrophobicContact CZ2-CD2 3.98Å; W13-L17 HydrophobicContact CZ2-CG 4.16Å; W13-L17 PolarHBondContact O-N 3.34Å; F14-L17 HydrophobicContact CD1-CD1 4.39Å; F14-L17 PolarHBondContact O-N 3.19Å; K15-L17 PolarHBondContact O-N 3.48Å; L17-V19 PolarHBondContact O-N 3.47Å; L17-S20 WeakPolarHBondContact O-CB 3.49Å; L17-S20 PolarHBondContact O-N 3.33Å; L17-E21 WeakPolarHBondContact O-CG 3.34Å; L17-E21 PolarHBondContact O-N 3.12Å; L17-Y33 HydrophobicContact CB-CD1 4.03Å; L17-Y33 HydrophobicContact CB-CD2 3.79Å; L17-Y33 HydrophobicContact CB-CE1 4.23Å; L17-Y33 HydrophobicContact CB-CE2 4.01Å; L17-Y33 HydrophobicContact CB-CG 3.81Å; L17-Y33 HydrophobicContact CD1-CD1 4.05Å; L17-Y33 HydrophobicContact CD1-CE1 3.7Å
18A91.1Very high89.5Confident0 Ų071.7 Ų71.70%033%0.329CS..Hα-helixtrans-60.4-45.4178.500000112.3F14 K15 R16 E21 E22 A30 Y34F14-A18 WeakPolarHBondContact O-CB 3.49Å; F14-A18 PolarHBondContact O-N 3.39Å; K15-A18 WeakPolarHBondContact O-CB 3.42Å; K15-A18 PolarHBondContact O-N 2.7Å; R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.05Å; A18-E21 PolarHBondContact O-N 2.96Å; A18-E22 WeakPolarHBondContact O-CB 3.24Å; A18-E22 PolarHBondContact O-N 3.17Å; A18-A30 WeakPolarHBondContact O-CB 3.31Å; A18-Y34 HydrophobicContact CB-CD1 4.11Å; A18-Y34 HydrophobicContact CB-CD2 3.51Å; A18-Y34 HydrophobicContact CB-CE1 4.18Å; A18-Y34 HydrophobicContact CB-CE2 3.56Å; A18-Y34 HydrophobicContact CB-CG 3.77Å
19V94.7Very high89Confident70 Ų7071.1 Ų71.142%0.42433%0.329SS..Hα-helixtrans-64-41.3176.6172.20000111.3K15 R16 L17 E22 S23K15-V19 HydrophobicContact CD-CG2 4.23Å; K15-V19 WeakPolarHBondContact O-CG2 3.47Å; K15-V19 PolarHBondContact O-N 3.26Å; R16-V19 PolarHBondContact O-N 3.33Å; L17-V19 PolarHBondContact O-N 3.47Å; V19-E22 PolarHBondContact O-N 2.98Å; V19-S23 PolarHBondContact O-N 3.15Å
20S91.2Very high88.8Confident38 Ų3865.5 Ų65.527%0.26631%0.305SS..Hα-helixtrans-59.7-49174.8173.50000111.4R16 L17 E22 S23 R24R16-S20 PolarHBondContact O-N 2.66Å; L17-S20 WeakPolarHBondContact O-CB 3.49Å; L17-S20 PolarHBondContact O-N 3.33Å; S20-E22 PolarHBondContact O-N 3.41Å; S20-S23 PolarHBondContact O-N 3.17Å; S20-S23 PolarHBondContact O-OG 3.24Å; S20-R24 WeakPolarHBondContact O-CG 3.4Å; S20-R24 PolarHBondContact O-N 3.26Å
21E87.5Confident88.6Confident27 Ų2763.5 Ų63.513%0.12629%0.294CS..Hα-helixtrans-66.5-36.3178.9-68.6-54.6113.200112.8L17 A18 S23 R24 K25 Q26 A30 Y33L17-E21 WeakPolarHBondContact O-CG 3.34Å; L17-E21 PolarHBondContact O-N 3.12Å; A18-E21 PolarHBondContact O-N 2.96Å; E21-S23 PolarHBondContact O-N 3.21Å; E21-R24 CarbonylContact O-C 3.5Å; E21-R24 PolarHBondContact O-N 3.34Å; E21-R24 IonicContact OE1-CZ 3.86Å; E21-R24 IonicContact OE1-NH1 2.64Å; E21-R24 PolarHBondContact OE1-NH1 2.94Å; E21-K25 PolarHBondContact O-N 3.49Å; E21-Q26 HydrophobicContact CB-CB 4.25Å; E21-Q26 PolarHBondContact O-N 3.35Å; E21-Q26 WeakPolarHBondContact OE2-CB 3.38Å; E21-A30 HydrophobicContact CB-CB 4.01Å; E21-Y33 HydrophobicContact CG-CD2 3.85Å; E21-Y33 HydrophobicContact CG-CE2 3.7Å
22E89.7Confident88.3Confident41 Ų4164.7 Ų64.719%0.19230%0.299CS..Hα-helixtrans-62.2-42.6174.6-174172-174.600111.2A18 V19 S20 R24 K25 A30 Y34 K64 L68A18-E22 WeakPolarHBondContact O-CB 3.24Å; A18-E22 PolarHBondContact O-N 3.17Å; V19-E22 PolarHBondContact O-N 2.98Å; S20-E22 PolarHBondContact O-N 3.41Å; E22-R24 PolarHBondContact O-N 3.3Å; E22-K25 WeakPolarHBondContact O-CA 3.34Å; E22-K25 PolarHBondContact O-N 2.95Å; E22-A30 HydrophobicContact CB-CB 4.01Å; E22-Y34 PolarHBondContact OE2-OH 3.43Å; E22-K64 WeakPolarHBondContact OE1-CE 3.23Å; E22-K64 IonicContact OE1-NZ 2.69Å; E22-K64 PolarHBondContact OE1-NZ 3.4Å; E22-K64 VanDerWaalsContact OE2-CE 3.23Å; E22-K64 WeakPolarHBondContact OE2-CE 3.36Å; E22-K64 IonicContact OE2-NZ 2.86Å; E22-L68 HydrophobicContact CG-CD2 4.14Å
23S91.3Very high88Confident94 Ų9462.4 Ų62.466%0.65729%0.285SS*.Hα-helixtrans-63.9-29.6175.873.90000113.1V19 S20 E21 K25V19-S23 PolarHBondContact O-N 3.15Å; S20-S23 PolarHBondContact O-N 3.17Å; S20-S23 PolarHBondContact O-OG 3.24Å; E21-S23 PolarHBondContact O-N 3.21Å; S23-K25 PolarHBondContact O-N 2.99Å
24R87Confident88Confident157 Ų15756.1 Ų56.159%0.59226%0.261SS*.THydrogen-bonded Turntrans-81.54172.3-65.9173.3-175.6158.6-0.5113.4S20 E21 E22 Q26S20-R24 WeakPolarHBondContact O-CG 3.4Å; S20-R24 PolarHBondContact O-N 3.26Å; E21-R24 CarbonylContact O-C 3.5Å; E21-R24 PolarHBondContact O-N 3.34Å; E21-R24 IonicContact OE1-CZ 3.86Å; E21-R24 IonicContact OE1-NH1 2.64Å; E21-R24 PolarHBondContact OE1-NH1 2.94Å; E22-R24 PolarHBondContact O-N 3.3Å; R24-Q26 HydrophobicContact CB-CG 4.1Å; R24-Q26 PolarHBondContact O-N 2.88Å
25K87Confident87.7Confident150 Ų15057 Ų5765%0.65227%0.268SS*.THydrogen-bonded Turntrans58.622.9-174.2-54.7179.6-1801780113.5E21 E22 S23 F27E21-K25 PolarHBondContact O-N 3.49Å; E22-K25 WeakPolarHBondContact O-CA 3.34Å; E22-K25 PolarHBondContact O-N 2.95Å; S23-K25 PolarHBondContact O-N 2.99Å; K25-F27 VanDerWaalsContact C-N 3.29Å; K25-F27 HydrophobicContact CB-CE2 4.31Å; K25-F27 HydrophobicContact CB-CZ 4.09Å; K25-F27 HydrophobicContact CG-CZ 4.39Å; K25-F27 PolarHBondContact O-N 3.03Å; K25-F27 VanDerWaalsContact O-N 3.13Å
26Q81.4Confident87.3Confident89 Ų8954.8 Ų54.842%0.41626%0.259SS..  trans-87.167.3174.8-65.1-65.7-10.800109.8E21 R24 R28 S29 A30E21-Q26 HydrophobicContact CB-CB 4.25Å; E21-Q26 PolarHBondContact O-N 3.35Å; E21-Q26 WeakPolarHBondContact OE2-CB 3.38Å; R24-Q26 HydrophobicContact CB-CG 4.1Å; R24-Q26 PolarHBondContact O-N 2.88Å; Q26-R28 VanDerWaalsContact C-N 3.26Å; Q26-R28 PolarHBondContact O-N 3.35Å; Q26-S29 PolarHBondContact O-N 3.49Å; Q26-S29 VanDerWaalsContact O-N 3.15Å; Q26-A30 PolarHBondContact O-N 2.94Å
27F85.6Confident87.1Confident33 Ų3348.6 Ų48.615%0.14524%0.235CC..Hα-helixtrans-61.4-31.6-169.4-56.9-56.1000113.9K25 A31 L68 R71 T72K25-F27 VanDerWaalsContact C-N 3.29Å; K25-F27 HydrophobicContact CB-CE2 4.31Å; K25-F27 HydrophobicContact CB-CZ 4.09Å; K25-F27 HydrophobicContact CG-CZ 4.39Å; K25-F27 PolarHBondContact O-N 3.03Å; K25-F27 VanDerWaalsContact O-N 3.13Å; F27-A31 VanDerWaalsContact O-CB 3.31Å; F27-A31 WeakPolarHBondContact O-CB 3.46Å; F27-A31 PolarHBondContact O-N 2.89Å; F27-L68 HydrophobicContact CB-CD2 4.4Å; F27-L68 HydrophobicContact CD1-CD2 3.69Å; F27-L68 HydrophobicContact CE1-CD2 4.48Å; F27-L68 HydrophobicContact CG-CD2 4.45Å; F27-R71 HydrophobicContact CD2-CB 4.25Å; F27-R71 HydrophobicContact CG-CB 4.45Å; F27-T72 HydrophobicContact CB-CG2 4.46Å
28R77.3Confident87Confident161 Ų16146.8 Ų46.861%0.60823%0.226SC*.Hα-helixtrans-63.6-49.7175.5-166.8176.1173.2167.1-1.8111.5Q26 A31 F32 T72Q26-R28 VanDerWaalsContact C-N 3.26Å; Q26-R28 PolarHBondContact O-N 3.35Å; R28-A31 PolarHBondContact O-N 3.2Å; R28-F32 PolarHBondContact O-N 2.91Å; R28-T72 HydrophobicContact CB-CG2 3.77Å; R28-T72 HydrophobicContact CG-CG2 4.45Å
29S79.8Confident86.6Confident26 Ų2648.7 Ų48.718%0.18224%0.235CC..Hα-helixtrans-65.8-40.6178.5-55.70000111.3Q26 A31 F32 Y33Q26-S29 PolarHBondContact O-N 3.49Å; Q26-S29 VanDerWaalsContact O-N 3.15Å; S29-A31 PolarHBondContact O-N 3.37Å; S29-F32 WeakPolarHBondContact O-CB 3.34Å; S29-F32 PolarHBondContact O-N 3.39Å; S29-Y33 WeakPolarHBondContact O-CD2 3.49Å; S29-Y33 PolarHBondContact O-N 3.15Å
30A88.1Confident86.3Confident0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-60.2-46173.900000111.7A18 E21 E22 Q26 F32 Y33 Y34 L68A18-A30 WeakPolarHBondContact O-CB 3.31Å; E21-A30 HydrophobicContact CB-CB 4.01Å; E22-A30 HydrophobicContact CB-CB 4.01Å; Q26-A30 PolarHBondContact O-N 2.94Å; A30-F32 VanDerWaalsContact C-N 3.3Å; A30-F32 PolarHBondContact O-N 2.98Å; A30-Y33 PolarHBondContact O-N 3.48Å; A30-Y34 VanDerWaalsContact O-CD2 3.22Å; A30-Y34 WeakPolarHBondContact O-CD2 3.47Å; A30-Y34 PolarHBondContact O-N 2.92Å; A30-L68 HydrophobicContact CB-CD1 3.84Å
31A84.7Confident86.1Confident2 Ų243.9 Ų43.92%0.01720%0.204CC..Hα-helixtrans-62.4-37.1177.300000112.3F27 R28 S29 T35 L68 K69F27-A31 VanDerWaalsContact O-CB 3.31Å; F27-A31 WeakPolarHBondContact O-CB 3.46Å; F27-A31 PolarHBondContact O-N 2.89Å; R28-A31 PolarHBondContact O-N 3.2Å; S29-A31 PolarHBondContact O-N 3.37Å; A31-T35 WeakPolarHBondContact O-CB 3.46Å; A31-T35 PolarHBondContact O-N 2.94Å; A31-T35 PolarHBondContact O-OG1 3.35Å; A31-L68 HydrophobicContact CB-CB 3.96Å; A31-L68 HydrophobicContact CB-CD1 4.41Å; A31-K69 HydrophobicContact CB-CD 4.24Å; A31-K69 HydrophobicContact CB-CG 4.13Å
32F82.8Confident86Confident27 Ų2743.9 Ų43.912%0.11820%0.204CC..Hα-helixtrans-59.4-55.8171.7171.5-100.2000110.8R28 S29 A30 Y34 T35 E36 A278 N368R28-F32 PolarHBondContact O-N 2.91Å; S29-F32 WeakPolarHBondContact O-CB 3.34Å; S29-F32 PolarHBondContact O-N 3.39Å; A30-F32 VanDerWaalsContact C-N 3.3Å; A30-F32 PolarHBondContact O-N 2.98Å; F32-Y34 VanDerWaalsContact C-N 3.33Å; F32-Y34 PolarHBondContact O-N 3.03Å; F32-T35 WeakPolarHBondContact O-CA 3.3Å; F32-T35 VanDerWaalsContact O-CB 3.27Å; F32-T35 WeakPolarHBondContact O-CB 3.43Å; F32-T35 PolarHBondContact O-N 3.14Å; F32-E36 HydrophobicContact CD1-CG 4.16Å; F32-E36 HydrophobicContact CD2-CG 4.23Å; F32-E36 HydrophobicContact CE1-CG 3.61Å; F32-E36 HydrophobicContact CE2-CG 3.69Å; F32-E36 HydrophobicContact CG-CG 4.43Å; F32-E36 HydrophobicContact CZ-CG 3.33Å; F32-E36 WeakPolarHBondContact O-CG 3.47Å; F32-E36 PolarHBondContact O-N 3.02Å; F32-A278 HydrophobicContact CE1-CB 3.77Å; F32-A278 HydrophobicContact CZ-CB 3.65Å; F32-N368 WeakPolarHBondContact CD1-OD1 3.45Å; F32-N368 WeakPolarHBondContact CD2-OD1 3.5Å; F32-N368 VanDerWaalsContact CE1-OD1 3.28Å; F32-N368 WeakPolarHBondContact CE1-OD1 3.34Å; F32-N368 WeakPolarHBondContact CE2-OD1 3.47Å; F32-N368 WeakPolarHBondContact CG-OD1 3.36Å; F32-N368 WeakPolarHBondContact CZ-ND2 3.41Å; F32-N368 WeakPolarHBondContact CZ-OD1 3.37Å
33Y88.2Confident85.7Confident26 Ų2642.1 Ų42.110%0.10220%0.196CC..Hα-helixtrans-63.5-34.3-178-69.9-52.5000113.8F14 L17 E21 S29 A30 E36 A37F14-Y33 AromaticContact CD1-CD1 3.86Å; F14-Y33 HydrophobicContact CD1-CD1 3.86Å; F14-Y33 HydrophobicContact CD1-CE1 4.41Å; F14-Y33 HydrophobicContact CE1-CD1 4.46Å; L17-Y33 HydrophobicContact CB-CD1 4.03Å; L17-Y33 HydrophobicContact CB-CD2 3.79Å; L17-Y33 HydrophobicContact CB-CE1 4.23Å; L17-Y33 HydrophobicContact CB-CE2 4.01Å; L17-Y33 HydrophobicContact CB-CG 3.81Å; L17-Y33 HydrophobicContact CD1-CD1 4.05Å; L17-Y33 HydrophobicContact CD1-CE1 3.7Å; E21-Y33 HydrophobicContact CG-CD2 3.85Å; E21-Y33 HydrophobicContact CG-CE2 3.7Å; S29-Y33 WeakPolarHBondContact O-CD2 3.49Å; S29-Y33 PolarHBondContact O-N 3.15Å; A30-Y33 PolarHBondContact O-N 3.48Å; Y33-E36 PolarHBondContact O-N 3.08Å; Y33-A37 WeakPolarHBondContact O-CB 3.1Å; Y33-A37 PolarHBondContact O-N 2.87Å
34Y90.6Very high85.4Confident5 Ų537.6 Ų37.62%0.0217%0.165CC..Hα-helixtrans-65.4-37.6170.7-83.9-66.7000112.9K15 A18 E22 A30 F32 E36 A37 A38 Y61 K64 V65 L68K15-Y34 HydrophobicContact CD-CD1 4.16Å; K15-Y34 HydrophobicContact CD-CE1 3.39Å; K15-Y34 PolarHBondContact NZ-OH 2.78Å; A18-Y34 HydrophobicContact CB-CD1 4.11Å; A18-Y34 HydrophobicContact CB-CD2 3.51Å; A18-Y34 HydrophobicContact CB-CE1 4.18Å; A18-Y34 HydrophobicContact CB-CE2 3.56Å; A18-Y34 HydrophobicContact CB-CG 3.77Å; E22-Y34 PolarHBondContact OE2-OH 3.43Å; A30-Y34 VanDerWaalsContact O-CD2 3.22Å; A30-Y34 WeakPolarHBondContact O-CD2 3.47Å; A30-Y34 PolarHBondContact O-N 2.92Å; F32-Y34 VanDerWaalsContact C-N 3.33Å; F32-Y34 PolarHBondContact O-N 3.03Å; Y34-E36 VanDerWaalsContact C-N 3.31Å; Y34-A37 PolarHBondContact O-N 3.25Å; Y34-A38 WeakPolarHBondContact O-CB 3.31Å; Y34-A38 PolarHBondContact O-N 2.81Å; Y34-Y61 HydrophobicContact CD1-CD1 4.1Å; Y34-Y61 HydrophobicContact CD1-CG 4.13Å; Y34-Y61 HydrophobicContact CE1-CD1 4.19Å; Y34-K64 HydrophobicContact CD1-CB 4.4Å; Y34-K64 HydrophobicContact CD1-CG 4.23Å; Y34-K64 HydrophobicContact CD2-CG 3.85Å; Y34-K64 HydrophobicContact CE1-CB 4.43Å; Y34-K64 HydrophobicContact CE1-CG 3.94Å; Y34-K64 HydrophobicContact CE2-CG 3.59Å; Y34-K64 HydrophobicContact CG-CB 4.47Å; Y34-K64 HydrophobicContact CG-CG 4.19Å; Y34-V65 VanDerWaalsContact CB-CG2 3.42Å; Y34-L68 HydrophobicContact CD2-CD1 3.41Å; Y34-L68 VanDerWaalsContact CD2-CD1 3.41Å; Y34-L68 HydrophobicContact CE2-CD1 3.68Å
35T84.6Confident85.3Confident34 Ų3433 Ų3321%0.20915%0.152CC..Hα-helixtrans-63.1-42.6173.4-54.30000109.9A31 F32 A38 Q39 V65A31-T35 WeakPolarHBondContact O-CB 3.46Å; A31-T35 PolarHBondContact O-N 2.94Å; A31-T35 PolarHBondContact O-OG1 3.35Å; F32-T35 WeakPolarHBondContact O-CA 3.3Å; F32-T35 VanDerWaalsContact O-CB 3.27Å; F32-T35 WeakPolarHBondContact O-CB 3.43Å; F32-T35 PolarHBondContact O-N 3.14Å; T35-A38 PolarHBondContact O-N 2.87Å; T35-Q39 PolarHBondContact O-N 3.28Å; T35-Q39 VanDerWaalsContact O-N 3.11Å; T35-V65 WeakPolarHBondContact OG1-CG1 3.4Å; T35-V65 WeakPolarHBondContact OG1-CG2 3.48Å
36E85.6Confident84.9Confident2 Ų229 Ų291%0.00914%0.135CC..Hα-helixtrans-64.8-41177.2-65.7-59.4120.500112.2F14 F32 Y33 Y34 A40 S280 R306F14-E36 HydrophobicContact CB-CB 4.28Å; F14-E36 HydrophobicContact CD1-CB 3.89Å; F14-E36 HydrophobicContact CD2-CB 3.83Å; F14-E36 HydrophobicContact CE1-CB 4.13Å; F14-E36 HydrophobicContact CE2-CB 4.08Å; F14-E36 HydrophobicContact CG-CB 3.74Å; F14-E36 HydrophobicContact CZ-CB 4.22Å; F32-E36 HydrophobicContact CD1-CG 4.16Å; F32-E36 HydrophobicContact CD2-CG 4.23Å; F32-E36 HydrophobicContact CE1-CG 3.61Å; F32-E36 HydrophobicContact CE2-CG 3.69Å; F32-E36 HydrophobicContact CG-CG 4.43Å; F32-E36 HydrophobicContact CZ-CG 3.33Å; F32-E36 WeakPolarHBondContact O-CG 3.47Å; F32-E36 PolarHBondContact O-N 3.02Å; Y33-E36 PolarHBondContact O-N 3.08Å; Y34-E36 VanDerWaalsContact C-N 3.31Å; E36-A40 WeakPolarHBondContact O-CB 3.25Å; E36-A40 PolarHBondContact O-N 2.88Å; E36-S280 WeakPolarHBondContact OE1-CB 3.47Å; E36-S280 PolarHBondContact OE1-OG 2.76Å; E36-R306 VanDerWaalsContact CD-NH1 3.31Å; E36-R306 PolarHBondContact O-NH2 3.11Å; E36-R306 IonicContact OE1-NH1 3.15Å; E36-R306 PolarHBondContact OE1-NH1 2.96Å; E36-R306 IonicContact OE2-CZ 3.16Å; E36-R306 IonicContact OE2-NE 3.47Å; E36-R306 IonicContact OE2-NH1 2.74Å; E36-R306 PolarHBondContact OE2-NH1 3.38Å; E36-R306 IonicContact OE2-NH2 2.75Å; E36-R306 PolarHBondContact OE2-NH2 2.86Å; E36-R306 VanDerWaalsContact OE2-NH2 3.15Å
37A90.1Very high84.9Confident0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-62.7-47.9175.300000112A11 F14 K15 Y33 Y34 Q39 A40 L41 Y61A11-A37 WeakPolarHBondContact O-CB 3.45Å; F14-A37 HydrophobicContact CB-CB 3.81Å; K15-A37 HydrophobicContact CB-CB 4.44Å; Y33-A37 WeakPolarHBondContact O-CB 3.1Å; Y33-A37 PolarHBondContact O-N 2.87Å; Y34-A37 PolarHBondContact O-N 3.25Å; A37-Q39 VanDerWaalsContact C-N 3.34Å; A37-Q39 PolarHBondContact O-N 3.3Å; A37-A40 PolarHBondContact O-N 3.45Å; A37-L41 WeakPolarHBondContact O-CG 3.49Å; A37-L41 PolarHBondContact O-N 2.85Å; A37-Y61 HydrophobicContact CB-CD2 3.67Å; A37-Y61 HydrophobicContact CB-CE2 3.81Å
38A88.4Confident84.8Confident1 Ų126.1 Ų26.11%0.00814%0.138CC..Hα-helixtrans-58.5-46.2179.500000111.6Y34 T35 A40 L41 L42 A58Y34-A38 WeakPolarHBondContact O-CB 3.31Å; Y34-A38 PolarHBondContact O-N 2.81Å; T35-A38 PolarHBondContact O-N 2.87Å; A38-A40 VanDerWaalsContact C-N 3.35Å; A38-A40 PolarHBondContact O-N 3.02Å; A38-L41 WeakPolarHBondContact O-CB 3.47Å; A38-L41 PolarHBondContact O-N 3.36Å; A38-L42 WeakPolarHBondContact O-CG 3.23Å; A38-L42 PolarHBondContact O-N 2.86Å; A38-L42 VanDerWaalsContact O-N 3.12Å; A38-A58 HydrophobicContact CB-CB 4.49Å
39Q83.7Confident85.2Confident40 Ų4019.4 Ų19.419%0.18712%0.115CC..Hα-helixtrans-70.5-29.6-179.1176.373.456.300112.9T35 A37 L42 N43 R306T35-Q39 PolarHBondContact O-N 3.28Å; T35-Q39 VanDerWaalsContact O-N 3.11Å; A37-Q39 VanDerWaalsContact C-N 3.34Å; A37-Q39 PolarHBondContact O-N 3.3Å; Q39-L42 PolarHBondContact O-N 2.98Å; Q39-N43 PolarHBondContact NE2-OD1 2.86Å; Q39-N43 WeakPolarHBondContact O-CB 3.23Å; Q39-N43 PolarHBondContact O-N 3.29Å; Q39-N43 PolarHBondContact O-OD1 3.46Å; Q39-R306 VanDerWaalsContact CG-CZ 3.46Å
40A87Confident85.6Confident1 Ų127.7 Ų27.71%0.00815%0.148CC..Hα-helixtrans-64.8-38.9171.900000112D10 A11 E36 A37 A38 N43 S44D10-A40 HydrophobicContact CB-CB 4.13Å; A11-A40 HydrophobicContact CB-CB 3.85Å; E36-A40 WeakPolarHBondContact O-CB 3.25Å; E36-A40 PolarHBondContact O-N 2.88Å; A37-A40 PolarHBondContact O-N 3.45Å; A38-A40 VanDerWaalsContact C-N 3.35Å; A38-A40 PolarHBondContact O-N 3.02Å; A40-N43 PolarHBondContact O-N 3.41Å; A40-S44 PolarHBondContact O-N 2.92Å
41L88.9Confident85.7Confident6 Ų630.9 Ų30.93%0.03117%0.168CC..Hα-helixtrans-64.5-40.8173.3-62171.4000112.5A11 A37 A38 N43 S44 L45 L54 L57 A58 Y61A11-L41 HydrophobicContact CB-CD2 3.51Å; A11-L41 HydrophobicContact CB-CG 3.66Å; A37-L41 WeakPolarHBondContact O-CG 3.49Å; A37-L41 PolarHBondContact O-N 2.85Å; A38-L41 WeakPolarHBondContact O-CB 3.47Å; A38-L41 PolarHBondContact O-N 3.36Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.16Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.3Å; L41-L45 PolarHBondContact O-N 2.94Å; L41-L45 VanDerWaalsContact O-N 3.11Å; L41-L54 HydrophobicContact CD2-CD2 3.85Å; L41-L57 HydrophobicContact CD1-CB 4.08Å; L41-L57 HydrophobicContact CD1-CD2 3.88Å; L41-L57 HydrophobicContact CD1-CG 3.78Å; L41-L57 HydrophobicContact CD2-CD2 4.37Å; L41-A58 HydrophobicContact CB-CB 4.08Å; L41-A58 HydrophobicContact CD1-CB 4.08Å; L41-Y61 HydrophobicContact CD1-CD2 3.83Å; L41-Y61 HydrophobicContact CD1-CE2 3.69Å
42L85.5Confident85.9Confident26 Ų2639.6 Ų39.614%0.13621%0.208CC..Hα-helixtrans-64.5-41.7176.4-62.2169.4000111.4A38 Q39 S44 L45 E46 L55 A58 N508A38-L42 WeakPolarHBondContact O-CG 3.23Å; A38-L42 PolarHBondContact O-N 2.86Å; A38-L42 VanDerWaalsContact O-N 3.12Å; Q39-L42 PolarHBondContact O-N 2.98Å; L42-S44 VanDerWaalsContact C-N 3.29Å; L42-S44 PolarHBondContact O-N 3.48Å; L42-L45 PolarHBondContact O-N 2.89Å; L42-E46 WeakPolarHBondContact O-CG 3.19Å; L42-E46 PolarHBondContact O-N 3.33Å; L42-E46 VanDerWaalsContact O-N 3.09Å; L42-L55 HydrophobicContact CD2-CD1 4.08Å; L42-A58 HydrophobicContact CD2-CB 4.05Å; L42-A58 HydrophobicContact CG-CB 4.27Å; L42-N508 HydrophobicContact CD1-CB 4.41Å; L42-N508 WeakPolarHBondContact CD1-ND2 3.31Å; L42-N508 HydrophobicContact CD2-CB 4.04Å; L42-N508 WeakPolarHBondContact CD2-ND2 3.27Å
43N83.3Confident86.1Confident4 Ų440.3 Ų40.32%0.02122%0.223CC..Hα-helixtrans-63.4-36.1176.2-68.2-5.9000111.4L7 Q39 A40 L41 E46 A47L7-N43 HydrophobicContact CD1-CB 3.92Å; L7-N43 HydrophobicContact CD2-CB 3.96Å; L7-N43 HydrophobicContact CG-CB 4.49Å; Q39-N43 PolarHBondContact NE2-OD1 2.86Å; Q39-N43 WeakPolarHBondContact O-CB 3.23Å; Q39-N43 PolarHBondContact O-N 3.29Å; Q39-N43 PolarHBondContact O-OD1 3.46Å; A40-N43 PolarHBondContact O-N 3.41Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.16Å; N43-E46 PolarHBondContact O-N 3.11Å; N43-A47 WeakPolarHBondContact O-CB 3.46Å; N43-A47 PolarHBondContact O-N 3.27Å
44S84.7Confident86.1Confident0 Ų039.6 Ų39.60%022%0.22CC..Hα-helixtrans-68.8-39.5178.773.50000111.9P4 A40 L41 L42 A47 G48 S49P4-S44 WeakPolarHBondContact O-CB 3.48Å; A40-S44 PolarHBondContact O-N 2.92Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.3Å; L42-S44 VanDerWaalsContact C-N 3.29Å; L42-S44 PolarHBondContact O-N 3.48Å; S44-A47 PolarHBondContact O-N 3.44Å; S44-G48 PolarHBondContact O-N 3.49Å; S44-S49 VanDerWaalsContact O-CB 3.26Å; S44-S49 WeakPolarHBondContact O-CB 3.49Å; S44-S49 PolarHBondContact O-N 3.32Å
45L84.4Confident85.8Confident60 Ų6042.2 Ų42.231%0.31423%0.234SC..Hα-helixtrans-58.3-46.8172-74.9170.3000111.4L41 L42 A47 G48 L54 L55L41-L45 PolarHBondContact O-N 2.94Å; L41-L45 VanDerWaalsContact O-N 3.11Å; L42-L45 PolarHBondContact O-N 2.89Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 2.91Å; L45-G48 PolarHBondContact O-N 3.34Å; L45-L54 HydrophobicContact CD1-CB 4.1Å; L45-L54 HydrophobicContact CD2-CB 3.97Å; L45-L54 HydrophobicContact CD2-CD1 3.95Å; L45-L54 HydrophobicContact CG-CB 4Å; L45-L54 HydrophobicContact CG-CD1 4.13Å; L45-L55 HydrophobicContact CD1-CB 3.99Å; L45-L55 HydrophobicContact CD1-CD1 4.46Å
46E77.7Confident85.9Confident65 Ų6546.1 Ų46.130%0.30425%0.25SS..Hα-helixtrans-64.1-33.9176.5-70.4-177.5163.200113.4L42 N43 G48 R307 R468L42-E46 WeakPolarHBondContact O-CG 3.19Å; L42-E46 PolarHBondContact O-N 3.33Å; L42-E46 VanDerWaalsContact O-N 3.09Å; N43-E46 PolarHBondContact O-N 3.11Å; E46-G48 PolarHBondContact O-N 2.88Å; E46-R307 IonicContact OE1-NH2 3.7Å; E46-R307 PolarHBondContact OE1-NH2 3.38Å; E46-R307 IonicContact OE2-CZ 3.73Å; E46-R307 IonicContact OE2-NE 3.23Å; E46-R307 PolarHBondContact OE2-NE 2.99Å; E46-R307 VanDerWaalsContact OE2-NE 3.12Å; E46-R307 IonicContact OE2-NH2 2.78Å; E46-R307 PolarHBondContact OE2-NH2 3.28Å; E46-R468 IonicContact OE1-CZ 2.66Å; E46-R468 IonicContact OE1-NH2 2.64Å; E46-R468 PolarHBondContact OE1-NH2 3.2Å
47A81.5Confident86.2Confident16 Ų1648.5 Ų48.513%0.13226%0.263CS..THydrogen-bonded Turntrans-71.3-5.8174.800000112.9P4 L7 N43 S44 L45P4-A47 HydrophobicContact CB-CB 4.21Å; P4-A47 HydrophobicContact CG-CB 3.76Å; P4-A47 WeakPolarHBondContact CG-O 3.41Å; L7-A47 HydrophobicContact CD1-CB 4.08Å; N43-A47 WeakPolarHBondContact O-CB 3.46Å; N43-A47 PolarHBondContact O-N 3.27Å; S44-A47 PolarHBondContact O-N 3.44Å; L45-A47 VanDerWaalsContact C-N 3.3Å; L45-A47 PolarHBondContact O-N 2.91Å
48G83.1Confident86Confident47 Ų4748.5 Ų48.549%0.48526%0.263SS..THydrogen-bonded Turntrans96.625.7176.600000114.3S44 L45 E46 K50S44-G48 PolarHBondContact O-N 3.49Å; L45-G48 PolarHBondContact O-N 3.34Å; E46-G48 PolarHBondContact O-N 2.88Å; G48-K50 PolarHBondContact O-N 3.14Å
49S87Confident85.9Confident20 Ų2052.5 Ų52.514%0.1428%0.281CS..  trans-53.9140171.5-1790000111.2E8 S44 T51 L54E8-S49 VanDerWaalsContact OE1-CB 3.3Å; E8-S49 WeakPolarHBondContact OE1-CB 3.43Å; E8-S49 PolarHBondContact OE1-OG 2.79Å; S44-S49 VanDerWaalsContact O-CB 3.26Å; S44-S49 WeakPolarHBondContact O-CB 3.49Å; S44-S49 PolarHBondContact O-N 3.32Å; S49-T51 PolarHBondContact OG-N 3.42Å; S49-T51 VanDerWaalsContact OG-N 3.11Å; S49-T51 PolarHBondContact OG-OG1 2.85Å; S49-L54 WeakPolarHBondContact OG-CD1 3.26Å
50K88Confident86.2Confident200 Ų20056 Ų5687%0.8730%0.298SS*.  trans-103.23.8174.1-61.7-174.8179.1-178.40112.6G48 E52G48-K50 PolarHBondContact O-N 3.14Å; K50-E52 PolarHBondContact O-N 3.5Å
51T89.2Confident86.4Confident67 Ų6757 Ų5741%0.41130%0.302SS..  trans-68.6124.7179.1-53.80000109.1E8 S49 L54E8-T51 PolarHBondContact OE1-OG1 3.48Å; E8-T51 PolarHBondContact OE2-OG1 3.24Å; S49-T51 PolarHBondContact OG-N 3.42Å; S49-T51 VanDerWaalsContact OG-N 3.11Å; S49-T51 PolarHBondContact OG-OG1 2.85Å; T51-L54 HydrophobicContact CG2-CD1 4.39Å; T51-L54 HydrophobicContact CG2-CD2 3.81Å; T51-L54 HydrophobicContact CG2-CG 4Å; T51-L54 WeakPolarHBondContact O-CG 3.43Å
52E89Confident86.2Confident185 Ų18558.8 Ų58.886%0.86431%0.311SS*.THydrogen-bonded Turntrans-73152.1-179.7-64.5-177.2175.100111.4K50 L54K50-E52 PolarHBondContact O-N 3.5Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3.11Å
53G88.2Confident86.3Confident41 Ų4165 Ų6542%0.42334%0.337SS..THydrogen-bonded Turntrans78.4-0173.300000116.1L55 E56 L57G53-L55 VanDerWaalsContact C-N 3.3Å; G53-L55 PolarHBondContact O-N 3.25Å; G53-E56 VanDerWaalsContact C-OE2 3.27Å; G53-E56 WeakPolarHBondContact CA-OE2 3.38Å; G53-E56 PolarHBondContact O-N 3.2Å; G53-L57 WeakPolarHBondContact O-CB 3.39Å; G53-L57 PolarHBondContact O-N 3.33Å
54L86.9Confident86.6Confident11 Ų1167 Ų676%0.05835%0.346CS..Hα-helixtrans-64.2-33.8-176.6-65.3179.2000113E8 L41 L45 S49 T51 E52 L57 A58E8-L54 HydrophobicContact CG-CD1 4.45Å; L41-L54 HydrophobicContact CD2-CD2 3.85Å; L45-L54 HydrophobicContact CD1-CB 4.1Å; L45-L54 HydrophobicContact CD2-CB 3.97Å; L45-L54 HydrophobicContact CD2-CD1 3.95Å; L45-L54 HydrophobicContact CG-CB 4Å; L45-L54 HydrophobicContact CG-CD1 4.13Å; S49-L54 WeakPolarHBondContact OG-CD1 3.26Å; T51-L54 HydrophobicContact CG2-CD1 4.39Å; T51-L54 HydrophobicContact CG2-CD2 3.81Å; T51-L54 HydrophobicContact CG2-CG 4Å; T51-L54 WeakPolarHBondContact O-CG 3.43Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3.11Å; L54-L57 PolarHBondContact O-N 2.72Å; L54-A58 WeakPolarHBondContact O-CB 3.06Å; L54-A58 PolarHBondContact O-N 3.1Å
55L84.7Confident86.6Confident60 Ų6067.4 Ų67.431%0.31435%0.348SS..Hα-helixtrans-69-45.4179.2-179.661.9000110.4L42 L45 G53 L57 A58 Q59L42-L55 HydrophobicContact CD2-CD1 4.08Å; L45-L55 HydrophobicContact CD1-CB 3.99Å; L45-L55 HydrophobicContact CD1-CD1 4.46Å; G53-L55 VanDerWaalsContact C-N 3.3Å; G53-L55 PolarHBondContact O-N 3.25Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.03Å; L55-A58 PolarHBondContact O-N 3.02Å; L55-Q59 VanDerWaalsContact O-CG 3.3Å; L55-Q59 WeakPolarHBondContact O-CG 3.37Å; L55-Q59 PolarHBondContact O-N 2.61Å
56E87Confident86.4Confident116 Ų11667.2 Ų67.254%0.54235%0.345SS..Hα-helixtrans-60.9-41.6175.6-65.678.1-176.800110.8G53 Q59 E60G53-E56 VanDerWaalsContact C-OE2 3.27Å; G53-E56 WeakPolarHBondContact CA-OE2 3.38Å; G53-E56 PolarHBondContact O-N 3.2Å; E56-Q59 WeakPolarHBondContact O-CB 3.44Å; E56-Q59 PolarHBondContact O-N 2.73Å; E56-E60 PolarHBondContact O-N 3.39Å
57L91Very high86.9Confident53 Ų5367.6 Ų67.628%0.27735%0.346SS..Hα-helixtrans-65.6-41.3175.9-173.563000112L41 G53 L54 L55 Q59 E60 Y61L41-L57 HydrophobicContact CD1-CB 4.08Å; L41-L57 HydrophobicContact CD1-CD2 3.88Å; L41-L57 HydrophobicContact CD1-CG 3.78Å; L41-L57 HydrophobicContact CD2-CD2 4.37Å; G53-L57 WeakPolarHBondContact O-CB 3.39Å; G53-L57 PolarHBondContact O-N 3.33Å; L54-L57 PolarHBondContact O-N 2.72Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.03Å; L57-Q59 VanDerWaalsContact C-N 3.3Å; L57-Q59 PolarHBondContact O-N 3.07Å; L57-E60 WeakPolarHBondContact O-CB 3.32Å; L57-E60 PolarHBondContact O-N 2.92Å; L57-Y61 HydrophobicContact CD1-CD1 4.36Å; L57-Y61 HydrophobicContact CD1-CE1 3.65Å; L57-Y61 HydrophobicContact CD1-CE2 4.5Å; L57-Y61 HydrophobicContact CD2-CE2 4.44Å; L57-Y61 HydrophobicContact CG-CE1 4.13Å; L57-Y61 HydrophobicContact CG-CE2 4.11Å; L57-Y61 PolarHBondContact O-N 2.89Å
58A86.4Confident87.1Confident0 Ų066.9 Ų66.90%034%0.34CS..Hα-helixtrans-62-39.817400000111.4A38 L41 L42 L54 L55 Y61 N62A38-A58 HydrophobicContact CB-CB 4.49Å; L41-A58 HydrophobicContact CB-CB 4.08Å; L41-A58 HydrophobicContact CD1-CB 4.08Å; L42-A58 HydrophobicContact CD2-CB 4.05Å; L42-A58 HydrophobicContact CG-CB 4.27Å; L54-A58 WeakPolarHBondContact O-CB 3.06Å; L54-A58 PolarHBondContact O-N 3.1Å; L55-A58 PolarHBondContact O-N 3.02Å; A58-Y61 PolarHBondContact O-N 3.37Å; A58-N62 WeakPolarHBondContact O-CB 3.43Å; A58-N62 PolarHBondContact O-N 3.13Å; A58-N62 PolarHBondContact O-ND2 3.46Å
59Q85.8Confident86.8Confident84 Ų8467.9 Ų67.939%0.39333%0.331SS..Hα-helixtrans-65.2-40174.1-70.5171.6-200112.2L55 E56 L57 N62 K63L55-Q59 VanDerWaalsContact O-CG 3.3Å; L55-Q59 WeakPolarHBondContact O-CG 3.37Å; L55-Q59 PolarHBondContact O-N 2.61Å; E56-Q59 WeakPolarHBondContact O-CB 3.44Å; E56-Q59 PolarHBondContact O-N 2.73Å; L57-Q59 VanDerWaalsContact C-N 3.3Å; L57-Q59 PolarHBondContact O-N 3.07Å; Q59-N62 PolarHBondContact O-N 3.42Å; Q59-K63 PolarHBondContact O-N 2.97Å
60E90.3Very high86.4Confident115 Ų11570.8 Ų70.854%0.53735%0.351SS..Hα-helixtrans-59.7-47.5173.9-171-164.5143.500111.2E56 L57 N62 K63 K64E56-E60 PolarHBondContact O-N 3.39Å; L57-E60 WeakPolarHBondContact O-CB 3.32Å; L57-E60 PolarHBondContact O-N 2.92Å; E60-N62 VanDerWaalsContact C-N 3.34Å; E60-N62 PolarHBondContact O-N 3.3Å; E60-K63 WeakPolarHBondContact O-CB 3.38Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 VanDerWaalsContact O-N 3.13Å; E60-K64 PolarHBondContact O-N 2.84Å
61Y90.8Very high85.9Confident21 Ų2166.5 Ų66.58%0.08233%0.33CS..Hα-helixtrans-62-42.9176.6-68-6.6000111.3K15 Y34 A37 L41 L57 A58 K63 K64 V65K15-Y61 HydrophobicContact CB-CE2 4.45Å; K15-Y61 HydrophobicContact CD-CE1 3.8Å; K15-Y61 HydrophobicContact CG-CE1 4.49Å; Y34-Y61 HydrophobicContact CD1-CD1 4.1Å; Y34-Y61 HydrophobicContact CD1-CG 4.13Å; Y34-Y61 HydrophobicContact CE1-CD1 4.19Å; A37-Y61 HydrophobicContact CB-CD2 3.67Å; A37-Y61 HydrophobicContact CB-CE2 3.81Å; L41-Y61 HydrophobicContact CD1-CD2 3.83Å; L41-Y61 HydrophobicContact CD1-CE2 3.69Å; L57-Y61 HydrophobicContact CD1-CD1 4.36Å; L57-Y61 HydrophobicContact CD1-CE1 3.65Å; L57-Y61 HydrophobicContact CD1-CE2 4.5Å; L57-Y61 HydrophobicContact CD2-CE2 4.44Å; L57-Y61 HydrophobicContact CG-CE1 4.13Å; L57-Y61 HydrophobicContact CG-CE2 4.11Å; L57-Y61 PolarHBondContact O-N 2.89Å; A58-Y61 PolarHBondContact O-N 3.37Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.24Å; Y61-K64 WeakPolarHBondContact O-CA 3.45Å; Y61-K64 WeakPolarHBondContact O-CB 3.44Å; Y61-K64 PolarHBondContact O-N 2.82Å; Y61-K64 VanDerWaalsContact O-N 3.07Å; Y61-V65 VanDerWaalsContact O-CG2 3.32Å; Y61-V65 WeakPolarHBondContact O-CG2 3.47Å; Y61-V65 PolarHBondContact O-N 2.7Å
62N85.1Confident84.8Confident43 Ų4364.5 Ų64.523%0.2332%0.318CS..Hα-helixtrans-60.6-37.4173.9-76.2-40.2000112.6A58 Q59 E60 V65 K66A58-N62 WeakPolarHBondContact O-CB 3.43Å; A58-N62 PolarHBondContact O-N 3.13Å; A58-N62 PolarHBondContact O-ND2 3.46Å; Q59-N62 PolarHBondContact O-N 3.42Å; E60-N62 VanDerWaalsContact C-N 3.34Å; E60-N62 PolarHBondContact O-N 3.3Å; N62-V65 WeakPolarHBondContact O-CB 3.4Å; N62-V65 PolarHBondContact O-N 2.96Å; N62-K66 WeakPolarHBondContact O-CG 3.32Å; N62-K66 PolarHBondContact O-N 2.87Å
63K87.6Confident83Confident158 Ų15861.7 Ų61.769%0.68731%0.313SS*.Hα-helixtrans-64.3-40.8172.4-173.2179.1178.2-178.40111.4Q59 E60 Y61 K66 E67Q59-K63 PolarHBondContact O-N 2.97Å; E60-K63 WeakPolarHBondContact O-CB 3.38Å; E60-K63 PolarHBondContact O-N 3.43Å; E60-K63 VanDerWaalsContact O-N 3.13Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 3.24Å; K63-K66 WeakPolarHBondContact O-CB 3.42Å; K63-K66 PolarHBondContact O-N 2.78Å; K63-E67 PolarHBondContact O-N 3.4Å
64K90.3Very high80.9Confident46 Ų4665.9 Ų65.920%0.233%0.33CS..Hα-helixtrans-64.4-39.9175.8-170.262.5179.6175.80112.5E22 Y34 E60 Y61 K66 E67 L68E22-K64 WeakPolarHBondContact OE1-CE 3.23Å; E22-K64 IonicContact OE1-NZ 2.69Å; E22-K64 PolarHBondContact OE1-NZ 3.4Å; E22-K64 VanDerWaalsContact OE2-CE 3.23Å; E22-K64 WeakPolarHBondContact OE2-CE 3.36Å; E22-K64 IonicContact OE2-NZ 2.86Å; Y34-K64 HydrophobicContact CD1-CB 4.4Å; Y34-K64 HydrophobicContact CD1-CG 4.23Å; Y34-K64 HydrophobicContact CD2-CG 3.85Å; Y34-K64 HydrophobicContact CE1-CB 4.43Å; Y34-K64 HydrophobicContact CE1-CG 3.94Å; Y34-K64 HydrophobicContact CE2-CG 3.59Å; Y34-K64 HydrophobicContact CG-CB 4.47Å; Y34-K64 HydrophobicContact CG-CG 4.19Å; E60-K64 PolarHBondContact O-N 2.84Å; Y61-K64 WeakPolarHBondContact O-CA 3.45Å; Y61-K64 WeakPolarHBondContact O-CB 3.44Å; Y61-K64 PolarHBondContact O-N 2.82Å; Y61-K64 VanDerWaalsContact O-N 3.07Å; K64-K66 VanDerWaalsContact C-N 3.27Å; K64-K66 PolarHBondContact O-N 2.91Å; K64-E67 VanDerWaalsContact CD-OE2 3.25Å; K64-E67 WeakPolarHBondContact CD-OE2 3.42Å; K64-E67 IonicContact NZ-OE1 2.84Å; K64-E67 IonicContact NZ-OE2 2.69Å; K64-E67 PolarHBondContact NZ-OE2 3.43Å; K64-E67 WeakPolarHBondContact O-CB 3.22Å; K64-E67 PolarHBondContact O-N 3.26Å; K64-L68 HydrophobicContact CG-CD1 4.13Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.02Å
65V85.1Confident78.6Confident7 Ų770.1 Ų70.14%0.04235%0.349CS..Hα-helixtrans-54.8-43.5173.11710000110.9Y34 T35 Y61 N62 L68 K69Y34-V65 VanDerWaalsContact CB-CG2 3.42Å; T35-V65 WeakPolarHBondContact OG1-CG1 3.4Å; T35-V65 WeakPolarHBondContact OG1-CG2 3.48Å; Y61-V65 VanDerWaalsContact O-CG2 3.32Å; Y61-V65 WeakPolarHBondContact O-CG2 3.47Å; Y61-V65 PolarHBondContact O-N 2.7Å; N62-V65 WeakPolarHBondContact O-CB 3.4Å; N62-V65 PolarHBondContact O-N 2.96Å; V65-L68 PolarHBondContact O-N 2.72Å; V65-K69 HydrophobicContact CG1-CD 3.5Å; V65-K69 VanDerWaalsContact CG1-CD 3.5Å; V65-K69 WeakPolarHBondContact O-CB 3.43Å; V65-K69 WeakPolarHBondContact O-CD 3.23Å; V65-K69 PolarHBondContact O-N 3.24Å
66K80.7Confident76.3Confident57 Ų5774.4 Ų74.425%0.24837%0.373CS..Hα-helixtrans-63.8-47.4176.9-63.4177.8-172.5-1680112.3N62 K63 K64 L68 K69 S70 D510 S513N62-K66 WeakPolarHBondContact O-CG 3.32Å; N62-K66 PolarHBondContact O-N 2.87Å; K63-K66 WeakPolarHBondContact O-CB 3.42Å; K63-K66 PolarHBondContact O-N 2.78Å; K64-K66 VanDerWaalsContact C-N 3.27Å; K64-K66 PolarHBondContact O-N 2.91Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.32Å; K66-K69 PolarHBondContact O-N 3.25Å; K66-S70 PolarHBondContact O-N 3Å; K66-D510 VanDerWaalsContact CE-OD2 3.32Å; K66-D510 WeakPolarHBondContact CE-OD2 3.16Å; K66-D510 IonicContact NZ-OD1 3.72Å; K66-D510 PolarHBondContact NZ-OD1 3.48Å; K66-D510 IonicContact NZ-OD2 2.6Å; K66-D510 PolarHBondContact NZ-OD2 3.46Å; K66-S513 VanDerWaalsContact CE-CB 3.41Å; K66-S513 WeakPolarHBondContact CE-OG 3.47Å
67E86.7Confident73.9Confident73 Ų7374.1 Ų74.134%0.34138%0.379SS..Hα-helixtrans-55.2-49.1178.1-170.5-163.1169.200110.3K63 K64 S70 R71K63-E67 PolarHBondContact O-N 3.4Å; K64-E67 VanDerWaalsContact CD-OE2 3.25Å; K64-E67 WeakPolarHBondContact CD-OE2 3.42Å; K64-E67 IonicContact NZ-OE1 2.84Å; K64-E67 IonicContact NZ-OE2 2.69Å; K64-E67 PolarHBondContact NZ-OE2 3.43Å; K64-E67 WeakPolarHBondContact O-CB 3.22Å; K64-E67 PolarHBondContact O-N 3.26Å; E67-S70 PolarHBondContact O-N 3.49Å; E67-S70 PolarHBondContact O-OG 3.23Å; E67-R71 WeakPolarHBondContact O-CG 3.39Å; E67-R71 PolarHBondContact O-N 3.39Å; E67-R71 IonicContact OE1-CZ 2.63Å; E67-R71 IonicContact OE1-NE 3.32Å; E67-R71 IonicContact OE1-NH2 2.73Å; E67-R71 PolarHBondContact OE1-NH2 3.46Å
68L86Confident71.3Confident0 Ų076.6 Ų76.60%040%0.398CS..Hα-helixtrans-66.1-42.1-179.4-67.3170.4000112.6E22 F27 A30 A31 Y34 K64 V65 K66 S70 R71 T72E22-L68 HydrophobicContact CG-CD2 4.14Å; F27-L68 HydrophobicContact CB-CD2 4.4Å; F27-L68 HydrophobicContact CD1-CD2 3.69Å; F27-L68 HydrophobicContact CE1-CD2 4.48Å; F27-L68 HydrophobicContact CG-CD2 4.45Å; A30-L68 HydrophobicContact CB-CD1 3.84Å; A31-L68 HydrophobicContact CB-CB 3.96Å; A31-L68 HydrophobicContact CB-CD1 4.41Å; Y34-L68 HydrophobicContact CD2-CD1 3.41Å; Y34-L68 VanDerWaalsContact CD2-CD1 3.41Å; Y34-L68 HydrophobicContact CE2-CD1 3.68Å; K64-L68 HydrophobicContact CG-CD1 4.13Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.02Å; V65-L68 PolarHBondContact O-N 2.72Å; K66-L68 VanDerWaalsContact C-N 3.3Å; K66-L68 PolarHBondContact O-N 3.32Å; L68-S70 PolarHBondContact O-N 3.07Å; L68-R71 WeakPolarHBondContact O-CB 3.41Å; L68-R71 PolarHBondContact O-N 3.31Å; L68-R71 VanDerWaalsContact O-N 3.15Å; L68-T72 PolarHBondContact O-N 2.84Å; L68-T72 VanDerWaalsContact O-N 3.1Å; L68-T72 PolarHBondContact O-OG1 3.5Å
69K77.4Confident69.3Low69 Ų6981.7 Ų81.730%0.342%0.424SS..Hα-helixtrans-62.2-39.7176.6-89148.6150.9-168.70112.6A31 V65 K66 R71 T72 V73 I517A31-K69 HydrophobicContact CB-CD 4.24Å; A31-K69 HydrophobicContact CB-CG 4.13Å; V65-K69 HydrophobicContact CG1-CD 3.5Å; V65-K69 VanDerWaalsContact CG1-CD 3.5Å; V65-K69 WeakPolarHBondContact O-CB 3.43Å; V65-K69 WeakPolarHBondContact O-CD 3.23Å; V65-K69 PolarHBondContact O-N 3.24Å; K66-K69 PolarHBondContact O-N 3.25Å; K69-R71 PolarHBondContact O-N 3.27Å; K69-T72 VanDerWaalsContact CA-OG1 3.24Å; K69-T72 WeakPolarHBondContact CA-OG1 3.42Å; K69-T72 PolarHBondContact O-N 2.98Å; K69-T72 PolarHBondContact O-OG1 3.23Å; K69-V73 PolarHBondContact O-N 3.46Å; K69-I517 HydrophobicContact CB-CD1 3.73Å; K69-I517 HydrophobicContact CD-CD1 3.28Å; K69-I517 HydrophobicContact CG-CD1 3.74Å
70S78Confident67.3Low80 Ų8081.8 Ų81.856%0.55943%0.432SS*.Hα-helixtrans-62.3-31.8174.974.60000112.9K66 E67 L68K66-S70 PolarHBondContact O-N 3Å; E67-S70 PolarHBondContact O-N 3.49Å; E67-S70 PolarHBondContact O-OG 3.23Å; L68-S70 PolarHBondContact O-N 3.07Å
71R77.8Confident65.1Low111 Ų11182.7 Ų82.742%0.41944%0.441SS..Hα-helixtrans-76-22.8173.6-63173.7-177.7-157.4-0.2112.9F27 E67 L68 K69F27-R71 HydrophobicContact CD2-CB 4.25Å; F27-R71 HydrophobicContact CG-CB 4.45Å; E67-R71 WeakPolarHBondContact O-CG 3.39Å; E67-R71 PolarHBondContact O-N 3.39Å; E67-R71 IonicContact OE1-CZ 2.63Å; E67-R71 IonicContact OE1-NE 3.32Å; E67-R71 IonicContact OE1-NH2 2.73Å; E67-R71 PolarHBondContact OE1-NH2 3.46Å; L68-R71 WeakPolarHBondContact O-CB 3.41Å; L68-R71 PolarHBondContact O-N 3.31Å; L68-R71 VanDerWaalsContact O-N 3.15Å; K69-R71 PolarHBondContact O-N 3.27Å
72T65.5Low63.2Low25 Ų2584.8 Ų84.815%0.15346%0.463CS..Hα-helixtrans-81.4-25.2-175.9-17.30000113.3F27 R28 L68 K69 V74 Q75F27-T72 HydrophobicContact CB-CG2 4.46Å; R28-T72 HydrophobicContact CB-CG2 3.77Å; R28-T72 HydrophobicContact CG-CG2 4.45Å; L68-T72 PolarHBondContact O-N 2.84Å; L68-T72 VanDerWaalsContact O-N 3.1Å; L68-T72 PolarHBondContact O-OG1 3.5Å; K69-T72 VanDerWaalsContact CA-OG1 3.24Å; K69-T72 WeakPolarHBondContact CA-OG1 3.42Å; K69-T72 PolarHBondContact O-N 2.98Å; K69-T72 PolarHBondContact O-OG1 3.23Å; T72-V74 PolarHBondContact O-N 3.14Å; T72-Q75 PolarHBondContact O-N 2.71Å
73V51.3Low61.8Low125 Ų12591.6 Ų91.676%0.75849%0.485SS*.THydrogen-bonded Turntrans-57.5-17.7179.1179.20000112.1K69K69-V73 PolarHBondContact O-N 3.46Å
74V44.4Very low60.7Low129 Ų12986.2 Ų86.278%0.78246%0.463SS*.THydrogen-bonded Turntrans-89.5-11.3177.1-172.80000113.2T72T72-V74 PolarHBondContact O-N 3.14Å
75Q39.1Very low60.1Low101 Ų10186.8 Ų86.847%0.47247%0.473SS..  trans-126.672.8-174.9-71.3-175.9-17.700112.1T72 T77T72-Q75 PolarHBondContact O-N 2.71Å; Q75-T77 PolarHBondContact O-N 3.2Å
76N36.6Very low60Low150 Ų15092.9 Ų92.980%0.80250%0.499SS*.  trans-76.475.3157.9-84.2-23.7000108.6P78N76-P78 VanDerWaalsContact O-CD 3.29Å; N76-P78 WeakPolarHBondContact O-CD 3.21Å
77T36Very low60.2Low109 Ų10991 Ų9167%0.66949%0.493SS*.PPolyproline II helixtrans-73.7119.5174.1-14.90000108.3Q75Q75-T77 PolarHBondContact O-N 3.2Å
78P37.1Very low60.1Low106 Ų10692.7 Ų92.769%0.68850%0.499SS*.PPolyproline II helixtrans-58.2146169.819.3-25.4000109.4N76 P80N76-P78 VanDerWaalsContact O-CD 3.29Å; N76-P78 WeakPolarHBondContact O-CD 3.21Å; P78-P80 WeakPolarHBondContact O-CD 3.43Å; P78-P80 VanDerWaalsContact O-N 3.11Å
79I43.3Very low60.1Low106 Ų10693.7 Ų93.754%0.54451%0.507SS..PPolyproline II helixtrans-50.7121.8171.5-58.1173.2000106.4N81I79-N81 PolarHBondContact O-N 3.29Å
80P43.6Very low60.7Low86 Ų8691.3 Ų91.356%0.55850%0.498SS*.  trans-57.8115.5177.9-19.729.5000107.7P78 A82P78-P80 WeakPolarHBondContact O-CD 3.43Å; P78-P80 VanDerWaalsContact O-N 3.11Å; P80-A82 HydrophobicContact CB-CB 4.38Å; P80-A82 PolarHBondContact O-N 3.24Å
81N44.4Very low61.4Low134 Ų13488.7 Ų88.772%0.71748%0.476SS*.  trans-68.233.9168.6-100.3-13.7000111.1I79 R83I79-N81 PolarHBondContact O-N 3.29Å; N81-R83 PolarHBondContact O-N 3.1Å
82A51.4Low61.9Low66 Ų6685.8 Ų85.855%0.54547%0.473SS..  trans-71.581170.700000106.9P80 I84P80-A82 HydrophobicContact CB-CB 4.38Å; P80-A82 PolarHBondContact O-N 3.24Å; A82-I84 PolarHBondContact O-N 3.48Å
83R55.5Low63.2Low185 Ų18585.1 Ų85.170%0.69847%0.468SS*.  trans-47115.5164.5-98.5-179.4170.8175.2-2.6106.5N81 S85N81-R83 PolarHBondContact O-N 3.1Å; R83-S85 PolarHBondContact O-N 2.83Å
84I65.3Low65.3Low45 Ų4579.1 Ų79.123%0.23143%0.432CS..  trans-57.3134.2169.6-61.9177.1000106.2A82 K86 K88 I270A82-I84 PolarHBondContact O-N 3.48Å; I84-K86 PolarHBondContact O-N 3.45Å; I84-K88 HydrophobicContact CG2-CB 3.4Å; I84-K88 HydrophobicContact CG2-CD 4.33Å; I84-K88 HydrophobicContact CG2-CG 4.47Å; I84-I270 WeakPolarHBondContact CD1-O 3.4Å
85S77Confident67.6Low58 Ų5875.3 Ų75.341%0.40641%0.406SS..  trans-60.3139.6173.1610000109.3R83 S87 K88 A89R83-S85 PolarHBondContact O-N 2.83Å; S85-S87 PolarHBondContact O-N 2.94Å; S85-K88 PolarHBondContact O-N 2.86Å; S85-A89 PolarHBondContact O-N 3.35Å
86K82.3Confident70.2Confident135 Ų13571.9 Ų71.959%0.58739%0.389SS*.Hα-helixtrans-44.2-42.9176.9-179.4-172.2169.9-156.50111.8I84 K88 A89 D90I84-K86 PolarHBondContact O-N 3.45Å; K86-K88 PolarHBondContact O-N 2.89Å; K86-A89 PolarHBondContact O-N 2.87Å; K86-A89 VanDerWaalsContact O-N 3.16Å; K86-D90 WeakPolarHBondContact CE-OD2 3.47Å; K86-D90 WeakPolarHBondContact CG-OD2 3.21Å; K86-D90 WeakPolarHBondContact O-CB 3.06Å; K86-D90 PolarHBondContact O-N 3.48Å
87S85.5Confident73Confident17 Ų1764.8 Ų64.812%0.11935%0.351CS..Hα-helixtrans-58.4-37.5177.8-42.60000114.8S85 F91S85-S87 PolarHBondContact O-N 2.94Å; S87-F91 VanDerWaalsContact O-CB 3.23Å; S87-F91 WeakPolarHBondContact O-CB 3.42Å; S87-F91 PolarHBondContact O-N 3.12Å
88K84.7Confident75.7Confident110 Ų11060.5 Ų60.548%0.47832%0.324SS..Hα-helixtrans-72.8-37176.3-78.7-178.9-177.4-1780111.7I84 S85 K86 F91 S92 L136I84-K88 HydrophobicContact CG2-CB 3.4Å; I84-K88 HydrophobicContact CG2-CD 4.33Å; I84-K88 HydrophobicContact CG2-CG 4.47Å; S85-K88 PolarHBondContact O-N 2.86Å; K86-K88 PolarHBondContact O-N 2.89Å; K88-F91 PolarHBondContact O-N 2.8Å; K88-S92 PolarHBondContact O-N 3.13Å; K88-L136 HydrophobicContact CG-CD2 4.05Å
89A86.1Confident78.3Confident20 Ų2060.2 Ų60.217%0.16532%0.317CS..Hα-helixtrans-66.7-45.4174.500000111.2S85 K86 F91 S92 R93S85-A89 PolarHBondContact O-N 3.35Å; K86-A89 PolarHBondContact O-N 2.87Å; K86-A89 VanDerWaalsContact O-N 3.16Å; A89-F91 VanDerWaalsContact C-N 3.32Å; A89-F91 PolarHBondContact O-N 3.18Å; A89-S92 WeakPolarHBondContact O-CB 3.44Å; A89-S92 PolarHBondContact O-N 3.23Å; A89-R93 PolarHBondContact O-N 2.89Å
90D90.2Very high80.6Confident19 Ų1957 Ų5710%0.10230%0.301CS..Hα-helixtrans-62.9-38.7175-70.7-20.1000111.3K86 R93 A94 L123 I127K86-D90 WeakPolarHBondContact CE-OD2 3.47Å; K86-D90 WeakPolarHBondContact CG-OD2 3.21Å; K86-D90 WeakPolarHBondContact O-CB 3.06Å; K86-D90 PolarHBondContact O-N 3.48Å; D90-R93 WeakPolarHBondContact O-CB 3.49Å; D90-R93 PolarHBondContact O-N 2.91Å; D90-R93 IonicContact OD1-CZ 2.79Å; D90-R93 IonicContact OD1-NH1 3.69Å; D90-R93 PolarHBondContact OD1-NH1 2.75Å; D90-R93 IonicContact OD1-NH2 2.66Å; D90-R93 PolarHBondContact OD1-NH2 2.95Å; D90-A94 PolarHBondContact O-N 2.74Å; D90-L123 HydrophobicContact CB-CD1 4.31Å; D90-I127 VanDerWaalsContact C-CD1 3.4Å; D90-I127 HydrophobicContact CB-CD1 3.67Å; D90-I127 HydrophobicContact CB-CG1 3.72Å
91F91.7Very high83Confident26 Ų2652.9 Ų52.911%0.11427%0.274CS..Hα-helixtrans-64.2-42.1174.5-178.7-106.8000112S87 K88 A89 R93 A94 M95 I127 L136 K139 I140 F143S87-F91 VanDerWaalsContact O-CB 3.23Å; S87-F91 WeakPolarHBondContact O-CB 3.42Å; S87-F91 PolarHBondContact O-N 3.12Å; K88-F91 PolarHBondContact O-N 2.8Å; A89-F91 VanDerWaalsContact C-N 3.32Å; A89-F91 PolarHBondContact O-N 3.18Å; F91-R93 PolarHBondContact O-N 3.21Å; F91-A94 PolarHBondContact O-N 3.06Å; F91-M95 HydrophobicContact CD1-CG 4.24Å; F91-M95 HydrophobicContact CE1-CG 3.79Å; F91-M95 HydrophobicContact CE1-SD 4.36Å; F91-M95 HydrophobicContact CE2-CG 4.19Å; F91-M95 HydrophobicContact CE2-SD 4.1Å; F91-M95 HydrophobicContact CZ-CG 3.76Å; F91-M95 HydrophobicContact CZ-SD 3.75Å; F91-M95 WeakPolarHBondContact O-CG 3.33Å; F91-M95 PolarHBondContact O-N 3.32Å; F91-I127 HydrophobicContact CB-CD1 4.16Å; F91-I127 VanDerWaalsContact N-CD1 3.35Å; F91-L136 HydrophobicContact CB-CD1 4.22Å; F91-L136 HydrophobicContact CD1-CD1 3.75Å; F91-L136 HydrophobicContact CD2-CD1 4.2Å; F91-L136 HydrophobicContact CE1-CD1 4.15Å; F91-L136 HydrophobicContact CG-CD1 3.77Å; F91-K139 HydrophobicContact CE1-CB 4.48Å; F91-K139 HydrophobicContact CE2-CB 4.41Å; F91-K139 HydrophobicContact CZ-CB 3.82Å; F91-I140 HydrophobicContact CD2-CD1 4.46Å; F91-I140 HydrophobicContact CD2-CG1 3.6Å; F91-I140 HydrophobicContact CE2-CG1 3.74Å; F91-F143 HydrophobicContact CE2-CD2 4.49Å; F91-F143 AromaticContact CZ-CD2 3.97Å; F91-F143 HydrophobicContact CZ-CD2 3.97Å; F91-F143 HydrophobicContact CZ-CE2 4.44Å
92S90.1Very high85.3Confident50 Ų5049 Ų4935%0.3526%0.255SS..Hα-helixtrans-59.4-36.7173.7-170.60000112K88 A89 F96 P330K88-S92 PolarHBondContact O-N 3.13Å; A89-S92 WeakPolarHBondContact O-CB 3.44Å; A89-S92 PolarHBondContact O-N 3.23Å; S92-F96 PolarHBondContact O-N 3.46Å; S92-F96 VanDerWaalsContact O-N 3.09Å; S92-P330 WeakPolarHBondContact O-CG 3.3Å
93R92.8Very high87.1Confident10 Ų1047.9 Ų47.94%0.03824%0.242CC..Hα-helixtrans-70.1-41.4176.2-169.6168.266.1-107.6-0.3112.1A89 D90 F91 M95 F96 L97 L123 F239 A240 P330 C331A89-R93 PolarHBondContact O-N 2.89Å; D90-R93 WeakPolarHBondContact O-CB 3.49Å; D90-R93 PolarHBondContact O-N 2.91Å; D90-R93 IonicContact OD1-CZ 2.79Å; D90-R93 IonicContact OD1-NH1 3.69Å; D90-R93 PolarHBondContact OD1-NH1 2.75Å; D90-R93 IonicContact OD1-NH2 2.66Å; D90-R93 PolarHBondContact OD1-NH2 2.95Å; F91-R93 PolarHBondContact O-N 3.21Å; R93-M95 VanDerWaalsContact C-N 3.32Å; R93-M95 PolarHBondContact O-N 2.96Å; R93-F96 WeakPolarHBondContact O-CB 3.36Å; R93-F96 PolarHBondContact O-N 3.48Å; R93-L97 WeakPolarHBondContact O-CG 3.31Å; R93-L97 PolarHBondContact O-N 3.41Å; R93-L123 HydrophobicContact CB-CD2 4.12Å; R93-L123 HydrophobicContact CG-CD2 4.21Å; R93-F239 WeakPolarHBondContact CD-O 3.14Å; R93-A240 PolarHBondContact NE-O 3.01Å; R93-A240 PolarHBondContact NH2-O 3.24Å; R93-P330 HydrophobicContact CB-CB 4.4Å; R93-C331 HydrophobicContact CG-CB 4.47Å
94A94.2Very high88.8Confident0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-60.8-41.2173.700000112.2D90 F91 F96 L97 L98 L123 M124 I127D90-A94 PolarHBondContact O-N 2.74Å; F91-A94 PolarHBondContact O-N 3.06Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.2Å; A94-L97 PolarHBondContact O-N 2.96Å; A94-L98 PolarHBondContact O-N 3.47Å; A94-L123 HydrophobicContact CB-CB 4.26Å; A94-L123 HydrophobicContact CB-CD2 3.95Å; A94-L123 HydrophobicContact CB-CG 4.08Å; A94-M124 HydrophobicContact CB-CE 3.79Å; A94-M124 HydrophobicContact CB-CG 3.65Å; A94-I127 HydrophobicContact CB-CD1 4.5Å
95M93.8Very high90.1Very high49 Ų4938.7 Ų38.724%0.24121%0.206CC..Hα-helixtrans-64.3-37.7174.6-70.5-53.1-56.400112.6F91 R93 L98 N99 M124 F143F91-M95 HydrophobicContact CD1-CG 4.24Å; F91-M95 HydrophobicContact CE1-CG 3.79Å; F91-M95 HydrophobicContact CE1-SD 4.36Å; F91-M95 HydrophobicContact CE2-CG 4.19Å; F91-M95 HydrophobicContact CE2-SD 4.1Å; F91-M95 HydrophobicContact CZ-CG 3.76Å; F91-M95 HydrophobicContact CZ-SD 3.75Å; F91-M95 WeakPolarHBondContact O-CG 3.33Å; F91-M95 PolarHBondContact O-N 3.32Å; R93-M95 VanDerWaalsContact C-N 3.32Å; R93-M95 PolarHBondContact O-N 2.96Å; M95-L98 HydrophobicContact CE-CD2 4.2Å; M95-L98 PolarHBondContact O-N 3.32Å; M95-N99 PolarHBondContact O-N 2.93Å; M95-M124 HydrophobicContact SD-CE 3.95Å; M95-F143 HydrophobicContact CE-CD1 3.66Å; M95-F143 HydrophobicContact CE-CD2 3.96Å; M95-F143 HydrophobicContact CE-CE1 3.61Å; M95-F143 HydrophobicContact CE-CE2 3.92Å; M95-F143 HydrophobicContact CE-CG 3.84Å; M95-F143 HydrophobicContact CE-CZ 3.75Å; M95-F143 HydrophobicContact SD-CB 3.93Å; M95-F143 HydrophobicContact SD-CD1 4.02Å; M95-F143 HydrophobicContact SD-CD2 3.55Å; M95-F143 VanDerWaalsContact SD-CD2 3.55Å; M95-F143 HydrophobicContact SD-CE1 4.43Å; M95-F143 HydrophobicContact SD-CE2 4.02Å; M95-F143 HydrophobicContact SD-CG 3.56Å; M95-F143 VanDerWaalsContact SD-CG 3.56Å; M95-F143 HydrophobicContact SD-CZ 4.43Å
96F92.6Very high90.8Very high29 Ų2942.9 Ų42.913%0.12722%0.22CC..Hα-helixtrans-65.7-43.5175-170.4-93.5000112S92 R93 A94 L98 N99 D100 S238 P319 I327 N329 P330S92-F96 PolarHBondContact O-N 3.46Å; S92-F96 VanDerWaalsContact O-N 3.09Å; R93-F96 WeakPolarHBondContact O-CB 3.36Å; R93-F96 PolarHBondContact O-N 3.48Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.2Å; F96-L98 VanDerWaalsContact C-N 3.32Å; F96-L98 PolarHBondContact O-N 2.88Å; F96-N99 PolarHBondContact O-N 3.47Å; F96-D100 WeakPolarHBondContact O-CB 3.48Å; F96-D100 PolarHBondContact O-N 3.09Å; F96-S238 VanDerWaalsContact CE1-OG 3.24Å; F96-S238 WeakPolarHBondContact CE1-OG 3.47Å; F96-P319 HydrophobicContact CZ-CG 4.29Å; F96-I327 HydrophobicContact CE2-CD1 4.04Å; F96-I327 HydrophobicContact CZ-CD1 4.4Å; F96-N329 VanDerWaalsContact CE1-OD1 3.22Å; F96-N329 WeakPolarHBondContact CE1-OD1 3.14Å; F96-N329 HydrophobicContact CE2-CB 4.49Å; F96-N329 HydrophobicContact CZ-CB 4.15Å; F96-P330 HydrophobicContact CB-CG 3.46Å; F96-P330 VanDerWaalsContact CB-CG 3.46Å; F96-P330 VanDerWaalsContact CD2-CD 3.48Å; F96-P330 HydrophobicContact CD2-CG 4.07Å; F96-P330 HydrophobicContact CG-CG 3.82Å
97L95Very high91.1Very high0 Ų041.7 Ų41.70%021%0.214CC..Hα-helixtrans-58.4-42.7173.1-74.1160.8000111.7R93 A94 D100 G101 L116 L119 A120 L123R93-L97 WeakPolarHBondContact O-CG 3.31Å; R93-L97 PolarHBondContact O-N 3.41Å; A94-L97 PolarHBondContact O-N 2.96Å; L97-D100 PolarHBondContact O-N 3.06Å; L97-G101 PolarHBondContact O-N 3.37Å; L97-L116 HydrophobicContact CD2-CD2 3.82Å; L97-L119 HydrophobicContact CD1-CB 4.27Å; L97-L119 HydrophobicContact CD2-CB 4.3Å; L97-L119 HydrophobicContact CD2-CD1 4.48Å; L97-A120 HydrophobicContact CB-CB 3.75Å; L97-L123 HydrophobicContact CD1-CD2 4.12Å
98L94Very high91.4Very high19 Ų1942.5 Ų42.510%0.09923%0.225CC..Hα-helixtrans-62.1-47.6177.9-169.376.3000111.5A94 M95 F96 G101 T102 Y117 A120 M124 F143 G147A94-L98 PolarHBondContact O-N 3.47Å; M95-L98 HydrophobicContact CE-CD2 4.2Å; M95-L98 PolarHBondContact O-N 3.32Å; F96-L98 VanDerWaalsContact C-N 3.32Å; F96-L98 PolarHBondContact O-N 2.88Å; L98-G101 PolarHBondContact O-N 3.41Å; L98-T102 PolarHBondContact O-N 2.86Å; L98-T102 PolarHBondContact O-OG1 3.22Å; L98-Y117 HydrophobicContact CD1-CD1 3.86Å; L98-Y117 HydrophobicContact CD1-CE1 4.17Å; L98-A120 HydrophobicContact CB-CB 4.23Å; L98-A120 HydrophobicContact CD1-CB 4.44Å; L98-M124 HydrophobicContact CB-CE 4.49Å; L98-M124 HydrophobicContact CD2-CE 4.47Å; L98-F143 HydrophobicContact CD2-CB 4.24Å; L98-F143 HydrophobicContact CD2-CD1 3.83Å; L98-F143 HydrophobicContact CD2-CG 4.41Å; L98-G147 VanDerWaalsContact CD1-CA 3.46Å
99N92.1Very high91.7Very high100 Ų10040.4 Ų40.454%0.53522%0.22SC..Hα-helixtrans-65-39.7179.5-175.682.6000112.8M95 F96 G101 T102 T103M95-N99 PolarHBondContact O-N 2.93Å; F96-N99 PolarHBondContact O-N 3.47Å; N99-G101 VanDerWaalsContact C-N 3.33Å; N99-T102 PolarHBondContact O-N 3.01Å; N99-T103 PolarHBondContact O-N 3.25Å; N99-T103 PolarHBondContact O-OG1 3.37Å
100D90.8Very high92Very high39 Ų3942.3 Ų42.321%0.20922%0.224CC..Hα-helixtrans-66-39.2174.4-162.141000110.8F96 L97 T102 T103 E104 L116 S238F96-D100 WeakPolarHBondContact O-CB 3.48Å; F96-D100 PolarHBondContact O-N 3.09Å; L97-D100 PolarHBondContact O-N 3.06Å; D100-T102 PolarHBondContact O-N 2.8Å; D100-T103 PolarHBondContact O-N 2.97Å; D100-E104 WeakPolarHBondContact O-CG 3.17Å; D100-E104 PolarHBondContact O-N 3.05Å; D100-L116 HydrophobicContact CB-CD1 4.05Å; D100-L116 HydrophobicContact CB-CD2 4.48Å; D100-L116 WeakPolarHBondContact OD2-CD1 3.35Å; D100-S238 WeakPolarHBondContact OD2-CB 3.16Å; D100-S238 PolarHBondContact OD2-OG 3.47Å
101G92.8Very high92.2Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-56.1-48.3171.400000112L97 L98 N99 T103 E104 D105 A113 Y117L97-G101 PolarHBondContact O-N 3.37Å; L98-G101 PolarHBondContact O-N 3.41Å; N99-G101 VanDerWaalsContact C-N 3.33Å; G101-T103 VanDerWaalsContact C-N 3.35Å; G101-T103 PolarHBondContact O-N 3.5Å; G101-E104 PolarHBondContact O-N 2.78Å; G101-D105 VanDerWaalsContact O-CB 3.25Å; G101-D105 WeakPolarHBondContact O-CB 3.43Å; G101-D105 PolarHBondContact O-N 3.26Å; G101-A113 WeakPolarHBondContact O-CB 3.39Å; G101-Y117 VanDerWaalsContact C-CZ 3.49Å
102T93.1Very high92.2Very high51 Ų5147.8 Ų47.831%0.31325%0.248SC..Hα-helixtrans-60.8-41.8174.7-56.50000112.6L98 N99 D100 E104 D105 E106 Y117L98-T102 PolarHBondContact O-N 2.86Å; L98-T102 PolarHBondContact O-OG1 3.22Å; N99-T102 PolarHBondContact O-N 3.01Å; D100-T102 PolarHBondContact O-N 2.8Å; T102-E104 PolarHBondContact O-N 2.98Å; T102-D105 WeakPolarHBondContact O-CB 3.46Å; T102-D105 PolarHBondContact O-N 3.32Å; T102-E106 WeakPolarHBondContact O-CG 3.37Å; T102-E106 PolarHBondContact O-N 3.15Å; T102-Y117 WeakPolarHBondContact CA-OH 3.44Å; T102-Y117 PolarHBondContact N-OH 3.47Å; T102-Y117 PolarHBondContact OG1-OH 2.92Å
103T89.7Confident92.4Very high44 Ų4445.4 Ų45.427%0.2723%0.231SC..Hα-helixtrans-64.2-41.6178.5-58.10000111.8N99 D100 G101 K107N99-T103 PolarHBondContact O-N 3.25Å; N99-T103 PolarHBondContact O-OG1 3.37Å; D100-T103 PolarHBondContact O-N 2.97Å; G101-T103 VanDerWaalsContact C-N 3.35Å; G101-T103 PolarHBondContact O-N 3.5Å; T103-K107 VanDerWaalsContact O-CG 3.29Å; T103-K107 WeakPolarHBondContact O-CG 3.32Å; T103-K107 PolarHBondContact O-N 3.38Å
104E90.7Very high92.5Very high19 Ų1946.8 Ų46.89%0.08924%0.237CC..Hα-helixtrans-72.4-32.9176.9-68.4-59.3114.100112.3D100 G101 T102 K107 G108 N109 K112 A113 L116D100-E104 WeakPolarHBondContact O-CG 3.17Å; D100-E104 PolarHBondContact O-N 3.05Å; G101-E104 PolarHBondContact O-N 2.78Å; T102-E104 PolarHBondContact O-N 2.98Å; E104-K107 PolarHBondContact O-N 2.94Å; E104-K107 WeakPolarHBondContact OE1-CD 3.28Å; E104-K107 IonicContact OE1-NZ 3.82Å; E104-K107 PolarHBondContact OE1-NZ 3.47Å; E104-G108 PolarHBondContact O-N 3.25Å; E104-N109 HydrophobicContact CB-CB 4.19Å; E104-N109 WeakPolarHBondContact O-CA 3.48Å; E104-N109 WeakPolarHBondContact O-CB 3Å; E104-N109 PolarHBondContact O-N 2.94Å; E104-N109 WeakPolarHBondContact OE2-CB 3.46Å; E104-N109 PolarHBondContact OE2-ND2 3.23Å; E104-K112 HydrophobicContact CB-CB 4.24Å; E104-K112 HydrophobicContact CG-CB 4.22Å; E104-K112 WeakPolarHBondContact OE2-CD 3.34Å; E104-A113 HydrophobicContact CB-CB 4.14Å; E104-L116 HydrophobicContact CB-CD1 4.42Å; E104-L116 HydrophobicContact CG-CD1 3.96Å
105D92.5Very high92.5Very high17 Ų1750.5 Ų50.59%0.09126%0.257CS..Hα-helixtrans-61.7-49.3173.6-165.2-9.4000110.6G101 T102 K107 G108 A113 Y117 R150G101-D105 VanDerWaalsContact O-CB 3.25Å; G101-D105 WeakPolarHBondContact O-CB 3.43Å; G101-D105 PolarHBondContact O-N 3.26Å; T102-D105 WeakPolarHBondContact O-CB 3.46Å; T102-D105 PolarHBondContact O-N 3.32Å; D105-K107 VanDerWaalsContact C-N 3.26Å; D105-K107 PolarHBondContact O-N 3.26Å; D105-G108 PolarHBondContact O-N 3.16Å; D105-A113 HydrophobicContact CB-CB 3.82Å; D105-Y117 HydrophobicContact CB-CE2 4.22Å; D105-Y117 WeakPolarHBondContact OD2-CE2 3.17Å; D105-Y117 PolarHBondContact OD2-OH 3.07Å; D105-R150 VanDerWaalsContact CG-NH2 3.3Å; D105-R150 IonicContact OD1-NH2 2.66Å; D105-R150 PolarHBondContact OD1-NH2 3.02Å; D105-R150 IonicContact OD2-CZ 3.94Å; D105-R150 IonicContact OD2-NE 3.21Å; D105-R150 PolarHBondContact OD2-NE 2.74Å; D105-R150 VanDerWaalsContact OD2-NE 3.14Å; D105-R150 IonicContact OD2-NH2 3.55Å; D105-R150 PolarHBondContact OD2-NH2 2.66Å
106E91.7Very high92.6Very high147 Ų14748.5 Ų48.569%0.68725%0.248SC*.Hα-helixtrans-62.6-29.5176.1-72.5176.1176.800113.3T102 G108T102-E106 WeakPolarHBondContact O-CG 3.37Å; T102-E106 PolarHBondContact O-N 3.15Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 2.86Å
107K89.5Confident92.8Very high109 Ų10947.1 Ų47.147%0.47424%0.242SC..THydrogen-bonded Turntrans-78.1-8.5173.9-71.4170.8-167.8165.60113.5T103 E104 D105 N109T103-K107 VanDerWaalsContact O-CG 3.29Å; T103-K107 WeakPolarHBondContact O-CG 3.32Å; T103-K107 PolarHBondContact O-N 3.38Å; E104-K107 PolarHBondContact O-N 2.94Å; E104-K107 WeakPolarHBondContact OE1-CD 3.28Å; E104-K107 IonicContact OE1-NZ 3.82Å; E104-K107 PolarHBondContact OE1-NZ 3.47Å; D105-K107 VanDerWaalsContact C-N 3.26Å; D105-K107 PolarHBondContact O-N 3.26Å; K107-N109 VanDerWaalsContact C-N 3.35Å
108G91.1Very high92.9Very high34 Ų3449 Ų4935%0.35125%0.253SS..THydrogen-bonded Turntrans80.810.7-174.100000114.5E104 D105 E106 F110E104-G108 PolarHBondContact O-N 3.25Å; D105-G108 PolarHBondContact O-N 3.16Å; E106-G108 VanDerWaalsContact C-N 3.27Å; E106-G108 PolarHBondContact O-N 2.86Å; G108-F110 PolarHBondContact O-N 3.43Å
109N90.5Very high92.9Very high67 Ų6750 Ų5036%0.35826%0.258SS..  trans-84.460.3178.7-67.7-26.5000110.7E104 K107 H111 K112 A113E104-N109 HydrophobicContact CB-CB 4.19Å; E104-N109 WeakPolarHBondContact O-CA 3.48Å; E104-N109 WeakPolarHBondContact O-CB 3Å; E104-N109 PolarHBondContact O-N 2.94Å; E104-N109 WeakPolarHBondContact OE2-CB 3.46Å; E104-N109 PolarHBondContact OE2-ND2 3.23Å; K107-N109 VanDerWaalsContact C-N 3.35Å; N109-H111 VanDerWaalsContact C-N 3.3Å; N109-H111 PolarHBondContact O-N 3.3Å; N109-H111 VanDerWaalsContact O-N 3.15Å; N109-K112 HydrophobicContact CB-CB 4.38Å; N109-K112 HydrophobicContact CB-CD 4.4Å; N109-K112 PolarHBondContact O-N 2.83Å; N109-A113 PolarHBondContact O-N 2.62Å
110F93.9Very high93.1Very high60 Ų6045.2 Ų45.226%0.26323%0.233SC..Hα-helixtrans-59-32.6-166.7-57.1-48.4000115G108 F114 L154 Y157G108-F110 PolarHBondContact O-N 3.43Å; F110-F114 VanDerWaalsContact O-CB 3.27Å; F110-F114 WeakPolarHBondContact O-CB 3.29Å; F110-F114 PolarHBondContact O-N 2.85Å; F110-L154 HydrophobicContact CB-CD2 4.21Å; F110-L154 HydrophobicContact CD1-CD2 3.62Å; F110-L154 HydrophobicContact CE1-CD2 4.3Å; F110-L154 HydrophobicContact CG-CD2 4.1Å; F110-Y157 HydrophobicContact CB-CD1 3.82Å; F110-Y157 HydrophobicContact CB-CE1 3.93Å; F110-Y157 AromaticContact CD2-CD1 3.88Å; F110-Y157 HydrophobicContact CD2-CD1 3.88Å; F110-Y157 HydrophobicContact CD2-CD2 4.39Å; F110-Y157 AromaticContact CD2-CE1 3.59Å; F110-Y157 HydrophobicContact CD2-CE1 3.59Å; F110-Y157 HydrophobicContact CD2-CE2 4.11Å; F110-Y157 HydrophobicContact CD2-CG 4.28Å; F110-Y157 AromaticContact CD2-CZ 3.7Å; F110-Y157 HydrophobicContact CE2-CE2 4.44Å; F110-Y157 HydrophobicContact CG-CD1 4.25Å; F110-Y157 HydrophobicContact CG-CE1 4.24Å
111H93.1Very high93.4Very high65 Ų6544 Ų4430%0.30123%0.226SC..Hα-helixtrans-62.9-48.3173.8-72.9-79.4000112.1N109 F114 D115 T161N109-H111 VanDerWaalsContact C-N 3.3Å; N109-H111 PolarHBondContact O-N 3.3Å; N109-H111 VanDerWaalsContact O-N 3.15Å; H111-F114 PolarHBondContact O-N 2.89Å; H111-D115 PolarHBondContact O-N 3.21Å; H111-D115 VanDerWaalsContact O-N 3.1Å; H111-T161 PolarHBondContact CE1-OG1 3.39Å; H111-T161 PolarHBondContact NE2-OG1 2.85Å
112K91.8Very high93.5Very high94 Ų9449.5 Ų49.541%0.40925%0.252SS..Hα-helixtrans-65.1-42.7178.6-68.4-178.4179.2178.60111E104 N109 D115 L116E104-K112 HydrophobicContact CB-CB 4.24Å; E104-K112 HydrophobicContact CG-CB 4.22Å; E104-K112 WeakPolarHBondContact OE2-CD 3.34Å; N109-K112 HydrophobicContact CB-CB 4.38Å; N109-K112 HydrophobicContact CB-CD 4.4Å; N109-K112 PolarHBondContact O-N 2.83Å; K112-D115 PolarHBondContact O-N 3.4Å; K112-L116 WeakPolarHBondContact O-CB 3.48Å; K112-L116 WeakPolarHBondContact O-CD1 3.45Å; K112-L116 VanDerWaalsContact O-CG 3.25Å; K112-L116 WeakPolarHBondContact O-CG 3.22Å; K112-L116 PolarHBondContact O-N 2.89Å
113A94.2Very high93.6Very high0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-59.1-47.817700000111.8G101 E104 D105 N109 D115 L116 Y117 L154G101-A113 WeakPolarHBondContact O-CB 3.39Å; E104-A113 HydrophobicContact CB-CB 4.14Å; D105-A113 HydrophobicContact CB-CB 3.82Å; N109-A113 PolarHBondContact O-N 2.62Å; A113-D115 PolarHBondContact O-N 3.04Å; A113-L116 PolarHBondContact O-N 2.82Å; A113-Y117 HydrophobicContact CB-CD2 4.44Å; A113-Y117 HydrophobicContact CB-CE2 4.11Å; A113-Y117 WeakPolarHBondContact O-CD2 3.32Å; A113-Y117 VanDerWaalsContact O-CG 3.31Å; A113-Y117 PolarHBondContact O-N 2.93Å; A113-L154 HydrophobicContact CB-CD1 3.66Å
114F96.1Very high93.8Very high39 Ų3945.9 Ų45.917%0.17123%0.229CC..Hα-helixtrans-57.7-46.4176.8177.4-96.1000112.5F110 H111 L116 Y117 T118 A151 L154 K155 V158F110-F114 VanDerWaalsContact O-CB 3.27Å; F110-F114 WeakPolarHBondContact O-CB 3.29Å; F110-F114 PolarHBondContact O-N 2.85Å; H111-F114 PolarHBondContact O-N 2.89Å; F114-L116 PolarHBondContact O-N 3.05Å; F114-Y117 PolarHBondContact O-N 3.5Å; F114-T118 WeakPolarHBondContact O-CB 3.24Å; F114-T118 PolarHBondContact O-N 3.12Å; F114-T118 PolarHBondContact O-OG1 3.06Å; F114-A151 HydrophobicContact CD2-CB 4.25Å; F114-A151 VanDerWaalsContact CD2-O 3.3Å; F114-A151 WeakPolarHBondContact CD2-O 3.11Å; F114-A151 HydrophobicContact CE2-CB 4.26Å; F114-A151 WeakPolarHBondContact CE2-O 3.05Å; F114-L154 HydrophobicContact CB-CB 4.29Å; F114-L154 HydrophobicContact CB-CD1 4.45Å; F114-L154 HydrophobicContact CD2-CB 4.24Å; F114-K155 HydrophobicContact CE2-CB 3.88Å; F114-K155 HydrophobicContact CE2-CG 4.13Å; F114-K155 HydrophobicContact CZ-CG 4.43Å; F114-V158 HydrophobicContact CB-CG2 3.81Å; F114-V158 HydrophobicContact CD1-CG1 4.15Å; F114-V158 HydrophobicContact CG-CG1 4.48Å; F114-V158 HydrophobicContact CG-CG2 4.05Å
115D94Very high93.9Very high78 Ų7848.6 Ų48.642%0.41724%0.244SC..Hα-helixtrans-61.4-44.9177.3-70.5-13.6000111.4H111 K112 A113 T118 L119H111-D115 PolarHBondContact O-N 3.21Å; H111-D115 VanDerWaalsContact O-N 3.1Å; K112-D115 PolarHBondContact O-N 3.4Å; A113-D115 PolarHBondContact O-N 3.04Å; D115-T118 PolarHBondContact O-N 3.26Å; D115-L119 VanDerWaalsContact O-CG 3.29Å; D115-L119 WeakPolarHBondContact O-CG 3.06Å; D115-L119 PolarHBondContact O-N 2.83Å
116L95.5Very high93.9Very high7 Ų750.5 Ų50.54%0.03726%0.259CS..Hα-helixtrans-65.4-44-179.5-72.3166.3000112.1L97 D100 E104 K112 A113 F114 L119 A120L97-L116 HydrophobicContact CD2-CD2 3.82Å; D100-L116 HydrophobicContact CB-CD1 4.05Å; D100-L116 HydrophobicContact CB-CD2 4.48Å; D100-L116 WeakPolarHBondContact OD2-CD1 3.35Å; E104-L116 HydrophobicContact CB-CD1 4.42Å; E104-L116 HydrophobicContact CG-CD1 3.96Å; K112-L116 WeakPolarHBondContact O-CB 3.48Å; K112-L116 WeakPolarHBondContact O-CD1 3.45Å; K112-L116 VanDerWaalsContact O-CG 3.25Å; K112-L116 WeakPolarHBondContact O-CG 3.22Å; K112-L116 PolarHBondContact O-N 2.89Å; A113-L116 PolarHBondContact O-N 2.82Å; F114-L116 PolarHBondContact O-N 3.05Å; L116-L119 PolarHBondContact O-N 3.44Å; L116-A120 WeakPolarHBondContact O-CB 3.3Å; L116-A120 PolarHBondContact O-N 3.48Å
117Y97.4Very high93.9Very high1 Ų143.6 Ų43.60%0.00423%0.226CC..Hα-helixtrans-62.2-43.2174.7-67.9-45.1000111.9L98 G101 T102 D105 A113 F114 A120 V121 R150 L154L98-Y117 HydrophobicContact CD1-CD1 3.86Å; L98-Y117 HydrophobicContact CD1-CE1 4.17Å; G101-Y117 VanDerWaalsContact C-CZ 3.49Å; T102-Y117 WeakPolarHBondContact CA-OH 3.44Å; T102-Y117 PolarHBondContact N-OH 3.47Å; T102-Y117 PolarHBondContact OG1-OH 2.92Å; D105-Y117 HydrophobicContact CB-CE2 4.22Å; D105-Y117 WeakPolarHBondContact OD2-CE2 3.17Å; D105-Y117 PolarHBondContact OD2-OH 3.07Å; A113-Y117 HydrophobicContact CB-CD2 4.44Å; A113-Y117 HydrophobicContact CB-CE2 4.11Å; A113-Y117 WeakPolarHBondContact O-CD2 3.32Å; A113-Y117 VanDerWaalsContact O-CG 3.31Å; A113-Y117 PolarHBondContact O-N 2.93Å; F114-Y117 PolarHBondContact O-N 3.5Å; Y117-A120 WeakPolarHBondContact O-CB 3.43Å; Y117-A120 PolarHBondContact O-N 2.72Å; Y117-V121 VanDerWaalsContact O-CG2 3.3Å; Y117-V121 WeakPolarHBondContact O-CG2 3.46Å; Y117-V121 PolarHBondContact O-N 3.11Å; Y117-R150 HydrophobicContact CD1-CB 4.31Å; Y117-R150 HydrophobicContact CD2-CB 3.78Å; Y117-R150 HydrophobicContact CE1-CB 4.08Å; Y117-R150 HydrophobicContact CE1-CG 4.35Å; Y117-R150 HydrophobicContact CE2-CB 3.54Å; Y117-R150 HydrophobicContact CE2-CG 4.34Å; Y117-R150 HydrophobicContact CG-CB 4.15Å; Y117-L154 HydrophobicContact CD2-CD1 4.05Å; Y117-L154 HydrophobicContact CE2-CD1 3.87Å
118T95.8Very high93.9Very high40 Ų4042.4 Ų42.425%0.24522%0.221CC..Hα-helixtrans-60.8-48.8177.9-57.80000110.8F114 D115 A120 V121 E122F114-T118 WeakPolarHBondContact O-CB 3.24Å; F114-T118 PolarHBondContact O-N 3.12Å; F114-T118 PolarHBondContact O-OG1 3.06Å; D115-T118 PolarHBondContact O-N 3.26Å; T118-A120 VanDerWaalsContact C-N 3.32Å; T118-A120 PolarHBondContact O-N 3.44Å; T118-V121 PolarHBondContact O-N 2.98Å; T118-E122 HydrophobicContact CG2-CG 4.47Å; T118-E122 WeakPolarHBondContact O-CG 3.1Å; T118-E122 PolarHBondContact O-N 3.04Å
119L95.6Very high93.9Very high39 Ų3951.1 Ų51.120%0.20424%0.244CC..Hα-helixtrans-62-38.2176.7-69.1177.4000112.7L97 D115 L116 L123 R236 A240L97-L119 HydrophobicContact CD1-CB 4.27Å; L97-L119 HydrophobicContact CD2-CB 4.3Å; L97-L119 HydrophobicContact CD2-CD1 4.48Å; D115-L119 VanDerWaalsContact O-CG 3.29Å; D115-L119 WeakPolarHBondContact O-CG 3.06Å; D115-L119 PolarHBondContact O-N 2.83Å; L116-L119 PolarHBondContact O-N 3.44Å; L119-L123 VanDerWaalsContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 PolarHBondContact O-N 3.03Å; L119-R236 VanDerWaalsContact CD1-NH2 3.29Å; L119-A240 HydrophobicContact CD2-CB 4.13Å
120A96.1Very high93.7Very high0 Ų052.7 Ų52.70%025%0.249CC..Hα-helixtrans-61.7-48.4176.100000111L97 L98 L116 Y117 T118 L123 M124L97-A120 HydrophobicContact CB-CB 3.75Å; L98-A120 HydrophobicContact CB-CB 4.23Å; L98-A120 HydrophobicContact CD1-CB 4.44Å; L116-A120 WeakPolarHBondContact O-CB 3.3Å; L116-A120 PolarHBondContact O-N 3.48Å; Y117-A120 WeakPolarHBondContact O-CB 3.43Å; Y117-A120 PolarHBondContact O-N 2.72Å; T118-A120 VanDerWaalsContact C-N 3.32Å; T118-A120 PolarHBondContact O-N 3.44Å; A120-L123 PolarHBondContact O-N 2.96Å; A120-M124 HydrophobicContact CB-CE 4.48Å; A120-M124 WeakPolarHBondContact O-CB 3.43Å; A120-M124 VanDerWaalsContact O-CG 3.28Å; A120-M124 WeakPolarHBondContact O-CG 3.33Å; A120-M124 PolarHBondContact O-N 2.97Å
121V96.5Very high93.4Very high12 Ų1250.7 Ų50.77%0.07324%0.241CC..Hα-helixtrans-63.8-47.2179.51720000111.2Y117 T118 L123 M124 L125 L148Y117-V121 VanDerWaalsContact O-CG2 3.3Å; Y117-V121 WeakPolarHBondContact O-CG2 3.46Å; Y117-V121 PolarHBondContact O-N 3.11Å; T118-V121 PolarHBondContact O-N 2.98Å; V121-L123 VanDerWaalsContact C-N 3.31Å; V121-L123 PolarHBondContact O-N 3.22Å; V121-M124 PolarHBondContact O-N 3.05Å; V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.25Å; V121-L125 WeakPolarHBondContact O-CB 3.39Å; V121-L125 VanDerWaalsContact O-CG 3.29Å; V121-L125 WeakPolarHBondContact O-CG 3.48Å; V121-L125 PolarHBondContact O-N 3.08Å; V121-L148 HydrophobicContact CG2-CB 4.19Å
122E95.2Very high93.1Very high116 Ų11656.3 Ų56.354%0.54227%0.268SS..Hα-helixtrans-57.4-44.6177.4-74.6178.3174.300111.8T118 L125 S126T118-E122 HydrophobicContact CG2-CG 4.47Å; T118-E122 WeakPolarHBondContact O-CG 3.1Å; T118-E122 PolarHBondContact O-N 3.04Å; E122-L125 PolarHBondContact O-N 3.39Å; E122-S126 PolarHBondContact O-N 3.2Å
123L94Very high92.8Very high18 Ų1854.7 Ų54.79%0.09426%0.264CS..Hα-helixtrans-65.4-43.3177.4-174.956.8000111.4D90 R93 A94 L97 L119 A120 V121 L125 S126 I127D90-L123 HydrophobicContact CB-CD1 4.31Å; R93-L123 HydrophobicContact CB-CD2 4.12Å; R93-L123 HydrophobicContact CG-CD2 4.21Å; A94-L123 HydrophobicContact CB-CB 4.26Å; A94-L123 HydrophobicContact CB-CD2 3.95Å; A94-L123 HydrophobicContact CB-CG 4.08Å; L97-L123 HydrophobicContact CD1-CD2 4.12Å; L119-L123 VanDerWaalsContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 PolarHBondContact O-N 3.03Å; A120-L123 PolarHBondContact O-N 2.96Å; V121-L123 VanDerWaalsContact C-N 3.31Å; V121-L123 PolarHBondContact O-N 3.22Å; L123-L125 PolarHBondContact O-N 3.05Å; L123-S126 WeakPolarHBondContact O-CB 3.14Å; L123-S126 PolarHBondContact O-N 3.16Å; L123-I127 HydrophobicContact CD1-CD1 4.43Å; L123-I127 HydrophobicContact CG-CD1 4.06Å; L123-I127 WeakPolarHBondContact O-CD1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.38Å; L123-I127 PolarHBondContact O-N 2.89Å
124M94.6Very high92.6Very high1 Ų159.5 Ų59.51%0.00530%0.295CS..Hα-helixtrans-60.2-43.2175.2-74.7-174.9-157.100112.6A94 M95 L98 A120 V121 S126 I127 K128 I140 F143 S144A94-M124 HydrophobicContact CB-CE 3.79Å; A94-M124 HydrophobicContact CB-CG 3.65Å; M95-M124 HydrophobicContact SD-CE 3.95Å; L98-M124 HydrophobicContact CB-CE 4.49Å; L98-M124 HydrophobicContact CD2-CE 4.47Å; A120-M124 HydrophobicContact CB-CE 4.48Å; A120-M124 WeakPolarHBondContact O-CB 3.43Å; A120-M124 VanDerWaalsContact O-CG 3.28Å; A120-M124 WeakPolarHBondContact O-CG 3.33Å; A120-M124 PolarHBondContact O-N 2.97Å; V121-M124 PolarHBondContact O-N 3.05Å; M124-S126 VanDerWaalsContact C-N 3.33Å; M124-S126 PolarHBondContact O-N 2.97Å; M124-I127 PolarHBondContact O-N 3.3Å; M124-K128 WeakPolarHBondContact O-CB 3.3Å; M124-K128 PolarHBondContact O-N 3.44Å; M124-I140 HydrophobicContact CB-CG2 4.13Å; M124-I140 WeakPolarHBondContact O-CG2 3.43Å; M124-F143 HydrophobicContact CE-CB 3.81Å; M124-F143 VanDerWaalsContact SD-C 3.57Å; M124-F143 HydrophobicContact SD-CB 3.75Å; M124-S144 PolarHBondContact SD-N 3.25Å
125L93.4Very high92.2Very high77 Ų7760.7 Ų60.740%0.40331%0.308SS..Hα-helixtrans-65.8-36176.7-69.3175.2000112.1V121 E122 L123V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.25Å; V121-L125 WeakPolarHBondContact O-CB 3.39Å; V121-L125 VanDerWaalsContact O-CG 3.29Å; V121-L125 WeakPolarHBondContact O-CG 3.48Å; V121-L125 PolarHBondContact O-N 3.08Å; E122-L125 PolarHBondContact O-N 3.39Å; L123-L125 PolarHBondContact O-N 3.05Å
126S91.7Very high91.9Very high57 Ų5757.6 Ų57.640%0.39929%0.292SS..Hα-helixtrans-63.1-46.9172.5-172.80000111.1E122 L123 M124 K128 R129E122-S126 PolarHBondContact O-N 3.2Å; L123-S126 WeakPolarHBondContact O-CB 3.14Å; L123-S126 PolarHBondContact O-N 3.16Å; M124-S126 VanDerWaalsContact C-N 3.33Å; M124-S126 PolarHBondContact O-N 2.97Å; S126-K128 VanDerWaalsContact C-N 3.33Å; S126-K128 PolarHBondContact O-N 2.69Å; S126-R129 PolarHBondContact O-N 2.84Å
127I91Very high91.8Very high1 Ų159.3 Ų59.31%0.00530%0.3CS..Hα-helixtrans-63.1-40.5179.6-62.3156.8000110.9D90 F91 A94 L123 M124 R129 E130 V131 I140D90-I127 VanDerWaalsContact C-CD1 3.4Å; D90-I127 HydrophobicContact CB-CD1 3.67Å; D90-I127 HydrophobicContact CB-CG1 3.72Å; F91-I127 HydrophobicContact CB-CD1 4.16Å; F91-I127 VanDerWaalsContact N-CD1 3.35Å; A94-I127 HydrophobicContact CB-CD1 4.5Å; L123-I127 HydrophobicContact CD1-CD1 4.43Å; L123-I127 HydrophobicContact CG-CD1 4.06Å; L123-I127 WeakPolarHBondContact O-CD1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.38Å; L123-I127 PolarHBondContact O-N 2.89Å; M124-I127 PolarHBondContact O-N 3.3Å; I127-R129 PolarHBondContact O-N 2.88Å; I127-R129 VanDerWaalsContact O-N 3.11Å; I127-E130 PolarHBondContact O-N 2.88Å; I127-V131 HydrophobicContact CG2-CG2 3.52Å; I127-V131 WeakPolarHBondContact O-CG2 3.24Å; I127-V131 PolarHBondContact O-N 3.35Å; I127-V131 VanDerWaalsContact O-N 3.15Å; I127-I140 HydrophobicContact CB-CD1 4.23Å; I127-I140 HydrophobicContact CG2-CD1 3.55Å
128K91.4Very high91.6Very high84 Ų8466 Ų6637%0.36533%0.332SS..Hα-helixtrans-53.6-32.5178.9-170.5175.1-179.4172.50112.9M124 S126 E130 L137 I140 E141M124-K128 WeakPolarHBondContact O-CB 3.3Å; M124-K128 PolarHBondContact O-N 3.44Å; S126-K128 VanDerWaalsContact C-N 3.33Å; S126-K128 PolarHBondContact O-N 2.69Å; K128-E130 VanDerWaalsContact C-N 3.31Å; K128-L137 HydrophobicContact CG-CD2 3.98Å; K128-I140 HydrophobicContact CB-CG2 3.98Å; K128-I140 HydrophobicContact CG-CG2 4.45Å; K128-E141 VanDerWaalsContact CE-OE1 3.25Å; K128-E141 WeakPolarHBondContact CE-OE1 3.38Å; K128-E141 IonicContact NZ-OE1 3.28Å; K128-E141 PolarHBondContact NZ-OE1 2.87Å
129R89.5Confident91.4Very high217 Ų21769.6 Ų69.682%0.81934%0.344SS*.THydrogen-bonded Turntrans-73.9-20.7179.5-63172.9-173178.41.7113.3S126 I127S126-R129 PolarHBondContact O-N 2.84Å; I127-R129 PolarHBondContact O-N 2.88Å; I127-R129 VanDerWaalsContact O-N 3.11Å
130E86.6Confident91.3Very high101 Ų10167.7 Ų67.747%0.47233%0.334SS..THydrogen-bonded Turntrans-104.7-20.8-174.8-61.6-175.9175.400113.3I127 K128I127-E130 PolarHBondContact O-N 2.88Å; K128-E130 VanDerWaalsContact C-N 3.31Å
131V87.3Confident91.2Very high17 Ų1772.6 Ų72.610%0.10336%0.357CS..  trans-92.8134-171.7174.70000112.3I127 D133 L136 L137 I140I127-V131 HydrophobicContact CG2-CG2 3.52Å; I127-V131 WeakPolarHBondContact O-CG2 3.24Å; I127-V131 PolarHBondContact O-N 3.35Å; I127-V131 VanDerWaalsContact O-N 3.15Å; V131-D133 HydrophobicContact CG1-CB 3.97Å; V131-L136 HydrophobicContact CG1-CB 4.05Å; V131-L136 HydrophobicContact CG1-CD2 3.83Å; V131-L136 HydrophobicContact CG1-CG 4.06Å; V131-L136 HydrophobicContact CG2-CD2 3.93Å; V131-L137 HydrophobicContact CB-CD2 4.15Å; V131-L137 HydrophobicContact CB-CG 4.49Å; V131-L137 HydrophobicContact CG1-CD2 4.21Å; V131-L137 HydrophobicContact CG1-CG 4.03Å; V131-I140 HydrophobicContact CG2-CD1 4.44Å
132Q86.6Confident91.2Very high184 Ų18478.6 Ų78.686%0.8638%0.379SS*.  trans-106.6-11.6171-63.1-179.11.800113.7P134Q132-P134 WeakPolarHBondContact O-CD 3.27Å
133D86.5Confident91.2Very high60 Ų6075.9 Ų75.932%0.32137%0.366SS..  trans-67.7111.7179.3175.7-1000110.5V131 S135 L136 L137V131-D133 HydrophobicContact CG1-CB 3.97Å; D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 3.25Å; D133-S135 PolarHBondContact OD1-N 2.89Å; D133-S135 PolarHBondContact OD1-OG 2.62Å; D133-S135 PolarHBondContact OD2-OG 3.4Å; D133-L136 HydrophobicContact CB-CB 4.05Å; D133-L136 PolarHBondContact O-N 3.46Å; D133-L137 WeakPolarHBondContact O-CG 3.23Å; D133-L137 PolarHBondContact O-N 2.86Å
134P89.5Confident91.3Very high101 Ų10175.6 Ų75.666%0.65637%0.365SS*.Hα-helixtrans-59.8-36-175.9-2435000113.1Q132 L136 L137 E138Q132-P134 WeakPolarHBondContact O-CD 3.27Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 2.8Å; P134-L137 PolarHBondContact O-N 3.4Å; P134-E138 PolarHBondContact O-N 3.25Å
135S88.9Confident91.4Very high64 Ų6482.1 Ų82.145%0.44839%0.394SS..Hα-helixtrans-70-32.4-178.272.90000112.5D133 K139D133-S135 VanDerWaalsContact C-N 3.26Å; D133-S135 PolarHBondContact O-N 3.25Å; D133-S135 PolarHBondContact OD1-N 2.89Å; D133-S135 PolarHBondContact OD1-OG 2.62Å; D133-S135 PolarHBondContact OD2-OG 3.4Å; S135-K139 WeakPolarHBondContact O-CG 3.47Å
136L87.9Confident91.4Very high13 Ų1382.3 Ų82.37%0.06839%0.393CS..Hα-helixtrans-78-37.9174.5-177.757.3000110.7K88 F91 V131 D133 P134 K139 I140K88-L136 HydrophobicContact CG-CD2 4.05Å; F91-L136 HydrophobicContact CB-CD1 4.22Å; F91-L136 HydrophobicContact CD1-CD1 3.75Å; F91-L136 HydrophobicContact CD2-CD1 4.2Å; F91-L136 HydrophobicContact CE1-CD1 4.15Å; F91-L136 HydrophobicContact CG-CD1 3.77Å; V131-L136 HydrophobicContact CG1-CB 4.05Å; V131-L136 HydrophobicContact CG1-CD2 3.83Å; V131-L136 HydrophobicContact CG1-CG 4.06Å; V131-L136 HydrophobicContact CG2-CD2 3.93Å; D133-L136 HydrophobicContact CB-CB 4.05Å; D133-L136 PolarHBondContact O-N 3.46Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 2.8Å; L136-K139 PolarHBondContact O-N 3.01Å; L136-I140 HydrophobicContact CD1-CD1 4.29Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CG-CD1 3.86Å; L136-I140 HydrophobicContact CG-CG1 4.45Å; L136-I140 WeakPolarHBondContact O-CD1 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.23Å; L136-I140 WeakPolarHBondContact O-CG1 3.47Å; L136-I140 PolarHBondContact O-N 3.01Å
137L91.9Very high91.6Very high42 Ų4279.6 Ų79.622%0.2237%0.374CS..Hα-helixtrans-60.7-44.4175.4-74.2171.7000112.3K128 V131 D133 P134 K139 I140 E141K128-L137 HydrophobicContact CG-CD2 3.98Å; V131-L137 HydrophobicContact CB-CD2 4.15Å; V131-L137 HydrophobicContact CB-CG 4.49Å; V131-L137 HydrophobicContact CG1-CD2 4.21Å; V131-L137 HydrophobicContact CG1-CG 4.03Å; D133-L137 WeakPolarHBondContact O-CG 3.23Å; D133-L137 PolarHBondContact O-N 2.86Å; P134-L137 PolarHBondContact O-N 3.4Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.35Å; L137-I140 PolarHBondContact O-N 3.38Å; L137-E141 WeakPolarHBondContact O-CG 3.4Å; L137-E141 PolarHBondContact O-N 2.92Å
138E93.2Very high91.8Very high142 Ų14283.4 Ų83.466%0.66439%0.393SS*.Hα-helixtrans-58.2-44.7176.5-174.7-177.8-177.700111.7P134 E141 Y142P134-E138 PolarHBondContact O-N 3.25Å; E138-E141 PolarHBondContact O-N 3.12Å; E138-Y142 WeakPolarHBondContact O-CB 3.34Å; E138-Y142 PolarHBondContact O-N 3.27Å
139K92.7Very high92.1Very high115 Ų11583.4 Ų83.450%0.540%0.398SS..Hα-helixtrans-64-44.1176-68.7179-175.3-178.80111.9F91 S135 L136 L137 E141 Y142 F143F91-K139 HydrophobicContact CE1-CB 4.48Å; F91-K139 HydrophobicContact CE2-CB 4.41Å; F91-K139 HydrophobicContact CZ-CB 3.82Å; S135-K139 WeakPolarHBondContact O-CG 3.47Å; L136-K139 PolarHBondContact O-N 3.01Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.35Å; K139-E141 VanDerWaalsContact C-N 3.32Å; K139-E141 PolarHBondContact O-N 3.01Å; K139-Y142 PolarHBondContact O-N 3.23Å; K139-F143 HydrophobicContact CB-CD2 4.35Å; K139-F143 HydrophobicContact CB-CE2 4.47Å; K139-F143 WeakPolarHBondContact O-CD2 3.44Å; K139-F143 PolarHBondContact O-N 2.81Å
140I94.2Very high92.4Very high0 Ų078.8 Ų78.80%038%0.38CS..Hα-helixtrans-59.1-45.8177.3-72.3164.3000110.3F91 M124 I127 K128 V131 L136 L137 S144F91-I140 HydrophobicContact CD2-CD1 4.46Å; F91-I140 HydrophobicContact CD2-CG1 3.6Å; F91-I140 HydrophobicContact CE2-CG1 3.74Å; M124-I140 HydrophobicContact CB-CG2 4.13Å; M124-I140 WeakPolarHBondContact O-CG2 3.43Å; I127-I140 HydrophobicContact CB-CD1 4.23Å; I127-I140 HydrophobicContact CG2-CD1 3.55Å; K128-I140 HydrophobicContact CB-CG2 3.98Å; K128-I140 HydrophobicContact CG-CG2 4.45Å; V131-I140 HydrophobicContact CG2-CD1 4.44Å; L136-I140 HydrophobicContact CD1-CD1 4.29Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CG-CD1 3.86Å; L136-I140 HydrophobicContact CG-CG1 4.45Å; L136-I140 WeakPolarHBondContact O-CD1 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.23Å; L136-I140 WeakPolarHBondContact O-CG1 3.47Å; L136-I140 PolarHBondContact O-N 3.01Å; L137-I140 PolarHBondContact O-N 3.38Å; I140-S144 WeakPolarHBondContact O-CB 3.44Å; I140-S144 PolarHBondContact O-N 3.44Å
141E93.9Very high92.8Very high103 Ų10374.2 Ų74.248%0.48136%0.359SS..Hα-helixtrans-63.5-46.6178.9-73.5-173.9164.900112.4K128 L137 E138 K139 K145K128-E141 VanDerWaalsContact CE-OE1 3.25Å; K128-E141 WeakPolarHBondContact CE-OE1 3.38Å; K128-E141 IonicContact NZ-OE1 3.28Å; K128-E141 PolarHBondContact NZ-OE1 2.87Å; L137-E141 WeakPolarHBondContact O-CG 3.4Å; L137-E141 PolarHBondContact O-N 2.92Å; E138-E141 PolarHBondContact O-N 3.12Å; K139-E141 VanDerWaalsContact C-N 3.32Å; K139-E141 PolarHBondContact O-N 3.01Å; E141-K145 WeakPolarHBondContact O-CB 3.46Å; E141-K145 PolarHBondContact O-N 2.72Å; E141-K145 VanDerWaalsContact O-N 3.09Å
142Y96Very high93.2Very high137 Ų13778 Ų7854%0.53738%0.376SS..Hα-helixtrans-58.4-56.8177.4178.2-94.9000111.7E138 K139 S144 K145 E146E138-Y142 WeakPolarHBondContact O-CB 3.34Å; E138-Y142 PolarHBondContact O-N 3.27Å; K139-Y142 PolarHBondContact O-N 3.23Å; Y142-S144 PolarHBondContact O-N 3.35Å; Y142-K145 PolarHBondContact O-N 3.28Å; Y142-E146 HydrophobicContact CD1-CG 4.5Å; Y142-E146 HydrophobicContact CE1-CG 4.07Å; Y142-E146 PolarHBondContact O-N 2.68Å
143F95.7Very high93.5Very high59 Ų5972.2 Ų72.226%0.25937%0.366SS..Hα-helixtrans-72.4-29.9-175.2-71-64.5000113.3F91 M95 L98 M124 K139 K145 E146 G147F91-F143 HydrophobicContact CE2-CD2 4.49Å; F91-F143 AromaticContact CZ-CD2 3.97Å; F91-F143 HydrophobicContact CZ-CD2 3.97Å; F91-F143 HydrophobicContact CZ-CE2 4.44Å; M95-F143 HydrophobicContact CE-CD1 3.66Å; M95-F143 HydrophobicContact CE-CD2 3.96Å; M95-F143 HydrophobicContact CE-CE1 3.61Å; M95-F143 HydrophobicContact CE-CE2 3.92Å; M95-F143 HydrophobicContact CE-CG 3.84Å; M95-F143 HydrophobicContact CE-CZ 3.75Å; M95-F143 HydrophobicContact SD-CB 3.93Å; M95-F143 HydrophobicContact SD-CD1 4.02Å; M95-F143 HydrophobicContact SD-CD2 3.55Å; M95-F143 VanDerWaalsContact SD-CD2 3.55Å; M95-F143 HydrophobicContact SD-CE1 4.43Å; M95-F143 HydrophobicContact SD-CE2 4.02Å; M95-F143 HydrophobicContact SD-CG 3.56Å; M95-F143 VanDerWaalsContact SD-CG 3.56Å; M95-F143 HydrophobicContact SD-CZ 4.43Å; L98-F143 HydrophobicContact CD2-CB 4.24Å; L98-F143 HydrophobicContact CD2-CD1 3.83Å; L98-F143 HydrophobicContact CD2-CG 4.41Å; M124-F143 HydrophobicContact CE-CB 3.81Å; M124-F143 VanDerWaalsContact SD-C 3.57Å; M124-F143 HydrophobicContact SD-CB 3.75Å; K139-F143 HydrophobicContact CB-CD2 4.35Å; K139-F143 HydrophobicContact CB-CE2 4.47Å; K139-F143 WeakPolarHBondContact O-CD2 3.44Å; K139-F143 PolarHBondContact O-N 2.81Å; F143-K145 VanDerWaalsContact C-N 3.31Å; F143-E146 PolarHBondContact O-N 2.51Å; F143-G147 PolarHBondContact O-N 3.01Å
144S95.1Very high93.9Very high13 Ų1370 Ų709%0.09135%0.354CS..Hα-helixtrans-66.4-36.4173.4-177.70000111.2M124 I140 Y142 L148M124-S144 PolarHBondContact SD-N 3.25Å; I140-S144 WeakPolarHBondContact O-CB 3.44Å; I140-S144 PolarHBondContact O-N 3.44Å; Y142-S144 PolarHBondContact O-N 3.35Å; S144-L148 VanDerWaalsContact O-CB 3.22Å; S144-L148 WeakPolarHBondContact O-CB 3.48Å; S144-L148 PolarHBondContact O-N 3.01Å
145K95.8Very high94.1Very high137 Ų13768.4 Ų68.460%0.59634%0.337SS*.Hα-helixtrans-69.2-43.8175.6-173.5177.2179.8-178.90111.3E141 Y142 F143 L148 N149E141-K145 WeakPolarHBondContact O-CB 3.46Å; E141-K145 PolarHBondContact O-N 2.72Å; E141-K145 VanDerWaalsContact O-N 3.09Å; Y142-K145 PolarHBondContact O-N 3.28Å; F143-K145 VanDerWaalsContact C-N 3.31Å; K145-L148 PolarHBondContact O-N 2.7Å; K145-N149 WeakPolarHBondContact O-CB 3.37Å; K145-N149 PolarHBondContact O-N 2.83Å; K145-N149 PolarHBondContact O-ND2 2.9Å
146E94.9Very high94Very high82 Ų8267.5 Ų67.538%0.38333%0.333SS..Hα-helixtrans-58.8-50.7175.3-72.7-63.199.300111.6Y142 F143 L148 N149 R150Y142-E146 HydrophobicContact CD1-CG 4.5Å; Y142-E146 HydrophobicContact CE1-CG 4.07Å; Y142-E146 PolarHBondContact O-N 2.68Å; F143-E146 PolarHBondContact O-N 2.51Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.39Å; E146-N149 PolarHBondContact O-N 2.81Å; E146-R150 WeakPolarHBondContact O-CG 3.3Å; E146-R150 PolarHBondContact O-N 2.64Å
147G94.8Very high94.1Very high0 Ų071.5 Ų71.50%035%0.348CS..Hα-helixtrans-59.6-41.7176.900000112.9L98 F143 R150 A151L98-G147 VanDerWaalsContact CD1-CA 3.46Å; F143-G147 PolarHBondContact O-N 3.01Å; G147-R150 PolarHBondContact O-N 3.36Å; G147-A151 WeakPolarHBondContact O-CB 3.37Å; G147-A151 PolarHBondContact O-N 2.91Å
148L96.4Very high94Very high80 Ų8069.6 Ų69.642%0.41934%0.338SS..Hα-helixtrans-65.5-44.1177.8-178.763.7000111.7V121 S144 K145 E146 R150 A151 E152V121-L148 HydrophobicContact CG2-CB 4.19Å; S144-L148 VanDerWaalsContact O-CB 3.22Å; S144-L148 WeakPolarHBondContact O-CB 3.48Å; S144-L148 PolarHBondContact O-N 3.01Å; K145-L148 PolarHBondContact O-N 2.7Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.39Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.48Å; L148-A151 PolarHBondContact O-N 2.68Å; L148-E152 HydrophobicContact CD1-CG 4.31Å; L148-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 3.42Å
149N96.9Very high93.8Very high85 Ų8568.6 Ų68.646%0.45533%0.334SS..Hα-helixtrans-60.7-42.9177.4-71.5-21.1000111.4K145 E146 G153K145-N149 WeakPolarHBondContact O-CB 3.37Å; K145-N149 PolarHBondContact O-N 2.83Å; K145-N149 PolarHBondContact O-ND2 2.9Å; E146-N149 PolarHBondContact O-N 2.81Å; N149-G153 PolarHBondContact O-N 2.96Å
150R95.7Very high93.5Very high119 Ų11972.3 Ų72.345%0.44934%0.344SS..Hα-helixtrans-64.8-45.2175.2-66.2-54.1-58.7174.50111.7D105 Y117 E146 G147 L148 E152 G153 L154D105-R150 VanDerWaalsContact CG-NH2 3.3Å; D105-R150 IonicContact OD1-NH2 2.66Å; D105-R150 PolarHBondContact OD1-NH2 3.02Å; D105-R150 IonicContact OD2-CZ 3.94Å; D105-R150 IonicContact OD2-NE 3.21Å; D105-R150 PolarHBondContact OD2-NE 2.74Å; D105-R150 VanDerWaalsContact OD2-NE 3.14Å; D105-R150 IonicContact OD2-NH2 3.55Å; D105-R150 PolarHBondContact OD2-NH2 2.66Å; Y117-R150 HydrophobicContact CD1-CB 4.31Å; Y117-R150 HydrophobicContact CD2-CB 3.78Å; Y117-R150 HydrophobicContact CE1-CB 4.08Å; Y117-R150 HydrophobicContact CE1-CG 4.35Å; Y117-R150 HydrophobicContact CE2-CB 3.54Å; Y117-R150 HydrophobicContact CE2-CG 4.34Å; Y117-R150 HydrophobicContact CG-CB 4.15Å; E146-R150 WeakPolarHBondContact O-CG 3.3Å; E146-R150 PolarHBondContact O-N 2.64Å; G147-R150 PolarHBondContact O-N 3.36Å; L148-R150 VanDerWaalsContact C-N 3.33Å; L148-R150 PolarHBondContact O-N 3.48Å; R150-E152 PolarHBondContact O-N 2.78Å; R150-G153 PolarHBondContact O-N 3.2Å; R150-L154 WeakPolarHBondContact O-CG 3.26Å; R150-L154 PolarHBondContact O-N 3.41Å; R150-L154 VanDerWaalsContact O-N 3.16Å
151A95.1Very high93.1Very high5 Ų575 Ų754%0.04136%0.361CS..Hα-helixtrans-59.5-46.8176.800000112.1F114 G147 L148 G153 L154 K155F114-A151 HydrophobicContact CD2-CB 4.25Å; F114-A151 VanDerWaalsContact CD2-O 3.3Å; F114-A151 WeakPolarHBondContact CD2-O 3.11Å; F114-A151 HydrophobicContact CE2-CB 4.26Å; F114-A151 WeakPolarHBondContact CE2-O 3.05Å; G147-A151 WeakPolarHBondContact O-CB 3.37Å; G147-A151 PolarHBondContact O-N 2.91Å; L148-A151 PolarHBondContact O-N 2.68Å; A151-G153 VanDerWaalsContact C-N 3.31Å; A151-G153 PolarHBondContact O-N 3.46Å; A151-L154 PolarHBondContact O-N 3.09Å; A151-L154 VanDerWaalsContact O-N 3.14Å; A151-K155 WeakPolarHBondContact O-CB 3.19Å; A151-K155 PolarHBondContact O-N 3.21Å
152E95.2Very high92.2Very high97 Ų9775.7 Ų75.745%0.45336%0.364SS..Hα-helixtrans-62.9-36.5177.2-74.3-64.6151.100112.1L148 R150 L154 K155L148-E152 HydrophobicContact CD1-CG 4.31Å; L148-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 3.42Å; R150-E152 PolarHBondContact O-N 2.78Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.49Å; E152-K155 WeakPolarHBondContact O-CB 3.28Å; E152-K155 PolarHBondContact O-N 2.86Å; E152-K155 IonicContact OE1-NZ 3.79Å; E152-K155 PolarHBondContact OE1-NZ 3.29Å; E152-K155 WeakPolarHBondContact OE2-CD 3.32Å; E152-K155 IonicContact OE2-NZ 3.88Å; E152-K155 PolarHBondContact OE2-NZ 2.74Å; E152-K155 VanDerWaalsContact OE2-NZ 3.09Å
153G94Very high90.5Very high62 Ų6274.1 Ų74.164%0.63937%0.371SS*.Hα-helixtrans-62-33.7173.700000113.9N149 R150 A151N149-G153 PolarHBondContact O-N 2.96Å; R150-G153 PolarHBondContact O-N 3.2Å; A151-G153 VanDerWaalsContact C-N 3.31Å; A151-G153 PolarHBondContact O-N 3.46Å
154L94.1Very high88.3Confident14 Ų1477.4 Ų77.47%0.07340%0.398CS..Hα-helixtrans-88.3-21.6178.7-63-178.6000113.4F110 A113 F114 Y117 R150 A151 E152 A156 Y157 V158F110-L154 HydrophobicContact CB-CD2 4.21Å; F110-L154 HydrophobicContact CD1-CD2 3.62Å; F110-L154 HydrophobicContact CE1-CD2 4.3Å; F110-L154 HydrophobicContact CG-CD2 4.1Å; A113-L154 HydrophobicContact CB-CD1 3.66Å; F114-L154 HydrophobicContact CB-CB 4.29Å; F114-L154 HydrophobicContact CB-CD1 4.45Å; F114-L154 HydrophobicContact CD2-CB 4.24Å; Y117-L154 HydrophobicContact CD2-CD1 4.05Å; Y117-L154 HydrophobicContact CE2-CD1 3.87Å; R150-L154 WeakPolarHBondContact O-CG 3.26Å; R150-L154 PolarHBondContact O-N 3.41Å; R150-L154 VanDerWaalsContact O-N 3.16Å; A151-L154 PolarHBondContact O-N 3.09Å; A151-L154 VanDerWaalsContact O-N 3.14Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 3.49Å; L154-A156 PolarHBondContact O-N 2.73Å; L154-Y157 WeakPolarHBondContact O-CB 3.21Å; L154-Y157 PolarHBondContact O-N 3.03Å; L154-V158 PolarHBondContact O-N 3.38Å
155K93.2Very high85.6Confident67 Ų6782.5 Ų82.529%0.29143%0.432SS..Hα-helixtrans-53.4-48.2-172.6-171.1179.6-173174.80113.7F114 A151 E152 Y157 V158 Q159F114-K155 HydrophobicContact CE2-CB 3.88Å; F114-K155 HydrophobicContact CE2-CG 4.13Å; F114-K155 HydrophobicContact CZ-CG 4.43Å; A151-K155 WeakPolarHBondContact O-CB 3.19Å; A151-K155 PolarHBondContact O-N 3.21Å; E152-K155 WeakPolarHBondContact O-CB 3.28Å; E152-K155 PolarHBondContact O-N 2.86Å; E152-K155 IonicContact OE1-NZ 3.79Å; E152-K155 PolarHBondContact OE1-NZ 3.29Å; E152-K155 WeakPolarHBondContact OE2-CD 3.32Å; E152-K155 IonicContact OE2-NZ 3.88Å; E152-K155 PolarHBondContact OE2-NZ 2.74Å; E152-K155 VanDerWaalsContact OE2-NZ 3.09Å; K155-Y157 VanDerWaalsContact C-N 3.3Å; K155-Y157 PolarHBondContact O-N 2.97Å; K155-V158 PolarHBondContact O-N 3.36Å; K155-Q159 HydrophobicContact CG-CG 4.5Å; K155-Q159 WeakPolarHBondContact O-CB 3.34Å; K155-Q159 VanDerWaalsContact O-CG 3.29Å; K155-Q159 WeakPolarHBondContact O-CG 3.41Å; K155-Q159 PolarHBondContact O-N 3.47Å
156A87.5Confident82.7Confident45 Ų4581.2 Ų81.237%0.37244%0.441SS..Hα-helixtrans-65.3-34-179.200000112.4L154 R160L154-A156 PolarHBondContact O-N 2.73Å; A156-R160 VanDerWaalsContact O-CG 3.31Å; A156-R160 WeakPolarHBondContact O-CG 3.46Å; A156-R160 PolarHBondContact O-N 3.4Å; A156-R160 PolarHBondContact O-NE 2.92Å
157Y89.3Confident79.6Confident97 Ų9785 Ų8538%0.3846%0.463SS..Hα-helixtrans-67.5-51173.5178.2-83.9000110.5F110 L154 K155 Q159 R160 T161F110-Y157 HydrophobicContact CB-CD1 3.82Å; F110-Y157 HydrophobicContact CB-CE1 3.93Å; F110-Y157 AromaticContact CD2-CD1 3.88Å; F110-Y157 HydrophobicContact CD2-CD1 3.88Å; F110-Y157 HydrophobicContact CD2-CD2 4.39Å; F110-Y157 AromaticContact CD2-CE1 3.59Å; F110-Y157 HydrophobicContact CD2-CE1 3.59Å; F110-Y157 HydrophobicContact CD2-CE2 4.11Å; F110-Y157 HydrophobicContact CD2-CG 4.28Å; F110-Y157 AromaticContact CD2-CZ 3.7Å; F110-Y157 HydrophobicContact CE2-CE2 4.44Å; F110-Y157 HydrophobicContact CG-CD1 4.25Å; F110-Y157 HydrophobicContact CG-CE1 4.24Å; L154-Y157 WeakPolarHBondContact O-CB 3.21Å; L154-Y157 PolarHBondContact O-N 3.03Å; K155-Y157 VanDerWaalsContact C-N 3.3Å; K155-Y157 PolarHBondContact O-N 2.97Å; Y157-Q159 VanDerWaalsContact C-N 3.34Å; Y157-Q159 PolarHBondContact O-N 3.29Å; Y157-R160 PolarHBondContact O-N 3.39Å; Y157-R160 VanDerWaalsContact O-N 3.13Å; Y157-T161 HydrophobicContact CD1-CG2 4.39Å; Y157-T161 HydrophobicContact CE1-CG2 3.95Å; Y157-T161 WeakPolarHBondContact CE1-OG1 3.48Å; Y157-T161 HydrophobicContact CE2-CG2 4.14Å; Y157-T161 PolarHBondContact O-N 3.27Å; Y157-T161 PolarHBondContact O-OG1 3.4Å
158V89.4Confident76.5Confident3 Ų389 Ų892%0.01849%0.491CS..Hα-helixtrans-59.7-42.7-178.4167.50000111.6F114 L154 K155 R160 T161 Q162F114-V158 HydrophobicContact CB-CG2 3.81Å; F114-V158 HydrophobicContact CD1-CG1 4.15Å; F114-V158 HydrophobicContact CG-CG1 4.48Å; F114-V158 HydrophobicContact CG-CG2 4.05Å; L154-V158 PolarHBondContact O-N 3.38Å; K155-V158 PolarHBondContact O-N 3.36Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-R160 PolarHBondContact O-N 2.93Å; V158-T161 PolarHBondContact O-N 3.44Å; V158-Q162 HydrophobicContact CG1-CG 4.21Å; V158-Q162 WeakPolarHBondContact O-CB 3.35Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.21Å; V158-Q162 PolarHBondContact O-N 3.02Å
159Q89.5Confident73.2Confident121 Ų12197.8 Ų97.857%0.56552%0.519SS*.Hα-helixtrans-65-34.2177.1-73.5175.9-16.600113.1K155 Y157K155-Q159 HydrophobicContact CG-CG 4.5Å; K155-Q159 WeakPolarHBondContact O-CB 3.34Å; K155-Q159 VanDerWaalsContact O-CG 3.29Å; K155-Q159 WeakPolarHBondContact O-CG 3.41Å; K155-Q159 PolarHBondContact O-N 3.47Å; Y157-Q159 VanDerWaalsContact C-N 3.34Å; Y157-Q159 PolarHBondContact O-N 3.29Å
160R86.5Confident69.9Low192 Ų19297.6 Ų97.673%0.72552%0.524SS*.Hα-helixtrans-77.3-25.3177.5-74.6-172.1-60.4-109.31.2113.7A156 Y157 V158A156-R160 VanDerWaalsContact O-CG 3.31Å; A156-R160 WeakPolarHBondContact O-CG 3.46Å; A156-R160 PolarHBondContact O-N 3.4Å; A156-R160 PolarHBondContact O-NE 2.92Å; Y157-R160 PolarHBondContact O-N 3.39Å; Y157-R160 VanDerWaalsContact O-N 3.13Å; V158-R160 VanDerWaalsContact C-N 3.34Å; V158-R160 PolarHBondContact O-N 2.93Å
161T85.2Confident66.6Low57 Ų5796.9 Ų96.935%0.3554%0.538SS..Hα-helixtrans-109.1-5.5-172.950.90000113.4H111 Y157 V158H111-T161 PolarHBondContact CE1-OG1 3.39Å; H111-T161 PolarHBondContact NE2-OG1 2.85Å; Y157-T161 HydrophobicContact CD1-CG2 4.39Å; Y157-T161 HydrophobicContact CE1-CG2 3.95Å; Y157-T161 WeakPolarHBondContact CE1-OG1 3.48Å; Y157-T161 HydrophobicContact CE2-CG2 4.14Å; Y157-T161 PolarHBondContact O-N 3.27Å; Y157-T161 PolarHBondContact O-OG1 3.4Å; V158-T161 PolarHBondContact O-N 3.44Å
162Q76.1Confident63.3Low117 Ų117103.8 Ų103.855%0.54758%0.584SS.*PPolyproline II helixtrans-57.5126.5174-102.4177.8-6.100110.4V158V158-Q162 HydrophobicContact CG1-CG 4.21Å; V158-Q162 WeakPolarHBondContact O-CB 3.35Å; V158-Q162 VanDerWaalsContact O-CG 3.31Å; V158-Q162 WeakPolarHBondContact O-CG 3.21Å; V158-Q162 PolarHBondContact O-N 3.02Å
163P60.7Low60Low104 Ų104102.1 Ų102.168%0.67559%0.593SS**PPolyproline II helixtrans-63.6148.1170.611.2-9.3000110.4C165P163-C165 PolarHBondContact O-N 2.91Å
164P48.7Very low56.7Low128 Ų128105 Ų10583%0.83160%0.603SS**PPolyproline II helixtrans-56.9128176.321-30.1000110.7S166P164-S166 PolarHBondContact O-N 3.26Å
165C38.2Very low53.5Low121 Ų121112.2 Ų112.282%0.81864%0.641SS**PPolyproline II helixtrans-50.4123.4-177.7-82.10000112.5P163P163-C165 PolarHBondContact O-N 2.91Å
166S34.6Very low50.3Low110 Ų110115.5 Ų115.577%0.76967%0.667SS**  trans-90.2113.7146.249.50000108P164 S168P164-S166 PolarHBondContact O-N 3.26Å; S166-S168 PolarHBondContact O-N 2.96Å
167D30.5Very low47.4Very low161 Ų161117.9 Ų117.986%0.86168%0.679SS**  trans-60.5102.8172.8-78.3-43.1000110.3
168S29.2Very low44.4Very low84 Ų84122.6 Ų122.659%0.58770%0.704SS**  trans-162.7105.3150.748.30000111S166 S170S166-S168 PolarHBondContact O-N 2.96Å; S168-S170 PolarHBondContact O-N 3.34Å
169R26.9Very low41.3Very low264 Ų264130 Ų130100%0.99674%0.741SS**  trans-6879.7153.5-72.4175.7174.6174-1.6107.7
170S27.9Very low38.4Very low81 Ų81130.6 Ų130.657%0.56675%0.752SS**  trans-156123169.957.10000112.3S168S168-S170 PolarHBondContact O-N 3.34Å
171S26.8Very low35.4Very low105 Ų105125.5 Ų125.573%0.73476%0.759SS**  trans32.6109.3146.558.10000118.8G173S171-G173 PolarHBondContact O-N 2.89Å; S171-G173 VanDerWaalsContact O-N 3.11Å
172C25.1Very low32.5Very low150 Ų150128.4 Ų128.4100%1.01478%0.777SS**  trans21.878.4141.5-134.10000115.8
173G26.4Very low30Very low62 Ų62128.9 Ų128.964%0.63979%0.793SS**  trans-115.2131.5170.300000110.1S171 L175S171-G173 PolarHBondContact O-N 2.89Å; S171-G173 VanDerWaalsContact O-N 3.11Å; G173-L175 PolarHBondContact O-N 2.87Å
174S25.9Very low28.4Very low122 Ų122131.8 Ų131.885%0.85380%0.795SS**  trans-54.7110.7-178.848.30000113.4
175L26.4Very low27.2Very low165 Ų165135 Ų13586%0.86480%0.796SS**  trans-95.1112.2166-73.6168.2000109.1G173 P177G173-L175 PolarHBondContact O-N 2.87Å; L175-P177 WeakPolarHBondContact O-CD 3.5Å
176T25.2Very low26.6Very low136 Ų136134.4 Ų134.483%0.83479%0.793SS**  trans-71115.9165.838.80000109.6
177P27.5Very low26Very low96 Ų96140.2 Ų140.262%0.62380%0.8SS**PPolyproline II helixtrans-81.8132.6-179-5.122.8000111.7L175 L231L175-P177 WeakPolarHBondContact O-CD 3.5Å; P177-L231 HydrophobicContact CG-CD2 4.42Å
178Q25Very low25.7Very low195 Ų195135.1 Ų135.191%0.91179%0.786SS**PPolyproline II helixtrans-74.6119.4161.9-81.5179.9-31.600109.1
179M26.1Very low25.6Very low160 Ų160139.3 Ų139.379%0.78879%0.794SS**PPolyproline II helixtrans-81.1122-179.5-74.5-145.2-174.100111.9A230M179-A230 HydrophobicContact CE-CB 4.35Å
180T26.6Very low25.5Very low132 Ų132132.7 Ų132.781%0.8179%0.785SS**  trans-104.2135159.649.20000109.3V182T180-V182 PolarHBondContact O-N 3.45Å
181G23.6Very low25.5Very low85 Ų85137.6 Ų137.688%0.87680%0.799SS**  trans-69.1123.8-167.100000114
182V24.9Very low25.6Very low118 Ų118135.8 Ų135.872%0.71579%0.786SS**  trans-130.9117.7161.8-178.40000108.3T180 K184T180-V182 PolarHBondContact O-N 3.45Å; V182-K184 PolarHBondContact O-N 3.27Å
183S24.3Very low25.5Very low128 Ų128137 Ų13790%0.89578%0.783SS**  trans-65.8113.5178.2-1690000110.3
184K27.6Very low25.7Very low164 Ų164137.9 Ų137.971%0.71378%0.775SS**  trans-134.4126171.2-78.3-172.4177.7178.10111.1V182 S186V182-K184 PolarHBondContact O-N 3.27Å; K184-S186 PolarHBondContact O-N 3.3Å
185K23.3Very low25.5Very low195 Ų195137.5 Ų137.585%0.84877%0.773SS**  trans-61.6112.6175.5-67.8174.4174178.60109.7
186S24.4Very low25.7Very low109 Ų109134 Ų13476%0.76276%0.762SS**  trans-90.4129.7172.857.30000110.6K184 G188K184-S186 PolarHBondContact O-N 3.3Å; S186-G188 PolarHBondContact O-N 3.14Å
187Y22.4Very low25.7Very low232 Ų232133 Ų13391%0.9176%0.761SS**  trans-90.286.8164.6-69.2-85.5000107.5
188G25Very low25.8Very low55 Ų55136.3 Ų136.357%0.56777%0.766SS**  trans-141.1158174.500000108.7S186S186-G188 PolarHBondContact O-N 3.14Å
189F27.1Very low25.9Very low171 Ų171137.6 Ų137.675%0.7577%0.768SS**SBendtrans-35.2143.6-175.4-70-91.4000114.5Q191F189-Q191 PolarHBondContact O-N 3.25Å
190P24.4Very low26Very low125 Ų125132 Ų13281%0.81275%0.751SS**  trans-56.8106.5-178.524-32000109.2S192P190-S192 PolarHBondContact O-N 3.16Å
191Q27.2Very low26.2Very low185 Ų185132.9 Ų132.986%0.86475%0.751SS**  trans-64.2104166.1-78-177.7-25.100106.1F189 N193F189-Q191 PolarHBondContact O-N 3.25Å; Q191-N193 PolarHBondContact O-N 3.4Å
192S30.4Very low26.8Very low66 Ų66134.4 Ų134.446%0.46275%0.746SS.*  trans-56.7130.7170.152.70000108.9P190 V194P190-S192 PolarHBondContact O-N 3.16Å; S192-V194 PolarHBondContact O-N 2.74Å
193N22.9Very low28.1Very low175 Ų175131.2 Ų131.294%0.93674%0.737SS**  trans-66.654.2173.7-75.7-27.1000112.3Q191Q191-N193 PolarHBondContact O-N 3.4Å
194V29Very low30.2Very low81 Ų81127.6 Ų127.649%0.49172%0.72SS.*  trans-94.7112.1166.7-175.90000106.7S192 S196 Y547S192-V194 PolarHBondContact O-N 2.74Å; V194-S196 PolarHBondContact O-N 3.05Å; V194-Y547 HydrophobicContact CG2-CD1 4.31Å; V194-Y547 HydrophobicContact CG2-CE1 4.35Å
195S23Very low32.9Very low115 Ų115122.5 Ų122.580%0.80470%0.698SS**  trans-56.978.4165.549.90000110.3S197S195-S197 PolarHBondContact O-N 3.44Å
196S30.1Very low36.1Very low90 Ų90116 Ų11663%0.62968%0.675SS**  trans-80.497.1168.860.40000108V194 F198V194-S196 PolarHBondContact O-N 3.05Å; S196-F198 PolarHBondContact O-N 2.75Å
197S24.4Very low39.3Very low117 Ų117115.6 Ų115.682%0.81867%0.667SS**  trans-72.234.5177.747.60000113.9S195 K199S195-S197 PolarHBondContact O-N 3.44Å; S197-K199 PolarHBondContact O-N 2.78Å
198F31.2Very low42.6Very low164 Ų164110 Ų11072%0.71965%0.649SS**  trans-85.3105.1174.5-72.7-78.3000109.5S196 G200S196-F198 PolarHBondContact O-N 2.75Å; F198-G200 VanDerWaalsContact C-N 3.26Å; F198-G200 PolarHBondContact O-N 3.45Å
199K25.8Very low45.9Very low222 Ų222108.2 Ų108.297%0.96563%0.626SS**  trans-63.486.7166.7-74.3177.3172.8178.50109S197S197-K199 PolarHBondContact O-N 2.78Å
200G28.7Very low49Very low42 Ų42104.5 Ų104.543%0.43361%0.614SS.*  trans-151132.6171.400000108.3F198F198-G200 VanDerWaalsContact C-N 3.26Å; F198-G200 PolarHBondContact O-N 3.45Å
201D30.1Very low52.4Low151 Ų151104.2 Ų104.281%0.80760%0.602SS**SBendtrans-53174-177.7-126.8-2.9000113.6G203 G204D201-G203 PolarHBondContact O-N 3.06Å; D201-G204 PolarHBondContact O-N 3.34Å
202P37.3Very low55.7Low118 Ų11895.8 Ų95.877%0.76656%0.562SS**THydrogen-bonded Turntrans-62.1107.2-157.625.1-33.2000112.4
203G51Low58.8Low50 Ų5092.8 Ų92.852%0.51554%0.541SS..THydrogen-bonded Turntrans146.9-20.7-177.700000113.3D201 F205D201-G203 PolarHBondContact O-N 3.06Å; G203-F205 WeakPolarHBondContact O-CD2 3.31Å; G203-F205 PolarHBondContact O-N 3.26Å
204G68.8Low62.2Low53 Ų5392 Ų9255%0.54653%0.53SS..  trans74.30.8173.100000115.7D201D201-G204 PolarHBondContact O-N 3.34Å
205F84.6Confident65.3Low57 Ų5791.1 Ų91.125%0.2553%0.527CS..  trans-85.3145.3179-62.4-61.9000112.1G203 E209 L210 L213 V343 N552G203-F205 WeakPolarHBondContact O-CD2 3.31Å; G203-F205 PolarHBondContact O-N 3.26Å; F205-E209 WeakPolarHBondContact CA-OE2 3.4Å; F205-E209 HydrophobicContact CB-CB 4.04Å; F205-E209 HydrophobicContact CD1-CB 4.29Å; F205-L210 HydrophobicContact CB-CD2 3.95Å; F205-L210 HydrophobicContact CB-CG 3.99Å; F205-L210 HydrophobicContact CD2-CD2 4.25Å; F205-L210 HydrophobicContact CG-CD2 4.46Å; F205-L213 HydrophobicContact CD1-CD1 4.24Å; F205-L213 HydrophobicContact CD2-CD1 4.16Å; F205-L213 HydrophobicContact CE1-CD1 4.19Å; F205-L213 HydrophobicContact CE2-CD1 4.1Å; F205-L213 HydrophobicContact CG-CD1 4.23Å; F205-L213 HydrophobicContact CZ-CD1 4.12Å; F205-V343 HydrophobicContact CZ-CG1 4.22Å; F205-N552 WeakPolarHBondContact CE1-ND2 3.29Å
206T89.9Confident68.7Low59 Ų5985.7 Ų85.736%0.36249%0.489SS..  trans-74.3168.1169.482.90000111.8E208 E209 L210T206-E208 VanDerWaalsContact C-N 3.27Å; T206-E208 VanDerWaalsContact CB-OE2 3.27Å; T206-E208 WeakPolarHBondContact CB-OE2 3.37Å; T206-E208 PolarHBondContact O-N 2.97Å; T206-E208 PolarHBondContact OG1-N 3.38Å; T206-E208 PolarHBondContact OG1-OE2 3.04Å; T206-E209 PolarHBondContact N-OE2 2.97Å; T206-E209 PolarHBondContact O-N 3.47Å; T206-E209 PolarHBondContact OG1-N 2.94Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 3.16Å
207V91.5Very high71.9Confident99 Ų9981.5 Ų81.560%0.646%0.46SS*.Hα-helixtrans-58.2-42.5176.1176.80000110.8L210 E211V207-L210 PolarHBondContact O-N 2.87Å; V207-E211 WeakPolarHBondContact O-CG 3.36Å; V207-E211 PolarHBondContact O-N 3.08Å
208E92.7Very high75.4Confident115 Ų11579.3 Ų79.354%0.53744%0.441SS..Hα-helixtrans-65.3-40.5178.8-56.180.7-178.300111.7T206 L210 E211 V212T206-E208 VanDerWaalsContact C-N 3.27Å; T206-E208 VanDerWaalsContact CB-OE2 3.27Å; T206-E208 WeakPolarHBondContact CB-OE2 3.37Å; T206-E208 PolarHBondContact O-N 2.97Å; T206-E208 PolarHBondContact OG1-N 3.38Å; T206-E208 PolarHBondContact OG1-OE2 3.04Å; E208-L210 VanDerWaalsContact C-N 3.34Å; E208-E211 WeakPolarHBondContact O-CB 3.22Å; E208-E211 PolarHBondContact O-N 3.41Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 3.14Å
209E94.1Very high78.5Confident18 Ų1871.8 Ų71.88%0.08441%0.409CS..Hα-helixtrans-64.4-40.1175-67-168.395.800111.7F205 T206 E211 V212 L213 N552F205-E209 WeakPolarHBondContact CA-OE2 3.4Å; F205-E209 HydrophobicContact CB-CB 4.04Å; F205-E209 HydrophobicContact CD1-CB 4.29Å; T206-E209 PolarHBondContact N-OE2 2.97Å; T206-E209 PolarHBondContact O-N 3.47Å; T206-E209 PolarHBondContact OG1-N 2.94Å; E209-E211 VanDerWaalsContact C-N 3.32Å; E209-E211 PolarHBondContact O-N 2.74Å; E209-V212 PolarHBondContact O-N 3.4Å; E209-L213 WeakPolarHBondContact O-CB 3.49Å; E209-L213 VanDerWaalsContact O-CG 3.29Å; E209-L213 WeakPolarHBondContact O-CG 3.25Å; E209-L213 PolarHBondContact O-N 3.29Å; E209-N552 HydrophobicContact CB-CB 4.19Å; E209-N552 HydrophobicContact CG-CB 4.24Å; E209-N552 WeakPolarHBondContact CG-O 3.42Å; E209-N552 PolarHBondContact OE1-N 2.78Å; E209-N552 PolarHBondContact OE1-ND2 3.05Å; E209-N552 VanDerWaalsContact OE1-ND2 3.1Å
210L92.8Very high81.8Confident93 Ų9362.9 Ų62.949%0.48737%0.371SS..Hα-helixtrans-63.6-38.1174.9-70.1174.3000111.7F205 T206 V207 E208 L213 K214F205-L210 HydrophobicContact CB-CD2 3.95Å; F205-L210 HydrophobicContact CB-CG 3.99Å; F205-L210 HydrophobicContact CD2-CD2 4.25Å; F205-L210 HydrophobicContact CG-CD2 4.46Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 3.16Å; V207-L210 PolarHBondContact O-N 2.87Å; E208-L210 VanDerWaalsContact C-N 3.34Å; L210-L213 PolarHBondContact O-N 2.94Å; L210-K214 WeakPolarHBondContact O-CB 3.21Å; L210-K214 PolarHBondContact O-N 2.72Å
211E94.8Very high84.9Confident119 Ų11964.3 Ų64.356%0.55639%0.386SS*.Hα-helixtrans-64.1-42174.2-74.6177.9-17800112.1V207 E208 E209 K214 S215V207-E211 WeakPolarHBondContact O-CG 3.36Å; V207-E211 PolarHBondContact O-N 3.08Å; E208-E211 WeakPolarHBondContact O-CB 3.22Å; E208-E211 PolarHBondContact O-N 3.41Å; E209-E211 VanDerWaalsContact C-N 3.32Å; E209-E211 PolarHBondContact O-N 2.74Å; E211-K214 PolarHBondContact O-N 2.91Å; E211-S215 VanDerWaalsContact O-CB 3.31Å; E211-S215 WeakPolarHBondContact O-CB 3.38Å; E211-S215 PolarHBondContact O-N 2.93Å; E211-S215 PolarHBondContact O-OG 3.4Å
212V96.3Very high88.1Confident7 Ų758.8 Ų58.84%0.04235%0.354CS..Hα-helixtrans-61.9-49.5174.41670000110.9E208 E209 K214 S215 T216 N552 C554 Y667E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 3.14Å; E209-V212 PolarHBondContact O-N 3.4Å; V212-K214 VanDerWaalsContact C-N 3.34Å; V212-K214 PolarHBondContact O-N 2.88Å; V212-S215 PolarHBondContact O-N 3.37Å; V212-T216 PolarHBondContact O-N 3.12Å; V212-T216 VanDerWaalsContact O-N 3.07Å; V212-T216 PolarHBondContact O-OG1 2.84Å; V212-N552 HydrophobicContact CB-CB 4.48Å; V212-N552 HydrophobicContact CG1-CB 4.05Å; V212-C554 HydrophobicContact CG2-CB 4.23Å; V212-Y667 HydrophobicContact CB-CD1 4.41Å; V212-Y667 HydrophobicContact CG1-CD1 4.03Å; V212-Y667 HydrophobicContact CG2-CD1 4.25Å
213L95.2Very high90.9Very high3 Ų358.5 Ų58.52%0.01634%0.342CS..Hα-helixtrans-64-40.9-179.9-70.9175.4000111.2F205 E209 L210 T216 S217 P226 V343 N552F205-L213 HydrophobicContact CD1-CD1 4.24Å; F205-L213 HydrophobicContact CD2-CD1 4.16Å; F205-L213 HydrophobicContact CE1-CD1 4.19Å; F205-L213 HydrophobicContact CE2-CD1 4.1Å; F205-L213 HydrophobicContact CG-CD1 4.23Å; F205-L213 HydrophobicContact CZ-CD1 4.12Å; E209-L213 WeakPolarHBondContact O-CB 3.49Å; E209-L213 VanDerWaalsContact O-CG 3.29Å; E209-L213 WeakPolarHBondContact O-CG 3.25Å; E209-L213 PolarHBondContact O-N 3.29Å; L210-L213 PolarHBondContact O-N 2.94Å; L213-T216 CarbonylContact O-C 3.57Å; L213-T216 PolarHBondContact O-N 2.9Å; L213-S217 WeakPolarHBondContact O-CB 3.45Å; L213-S217 PolarHBondContact O-N 2.87Å; L213-S217 PolarHBondContact O-OG 3.05Å; L213-P226 HydrophobicContact CB-CG 4.31Å; L213-P226 HydrophobicContact CD1-CG 4.28Å; L213-V343 HydrophobicContact CD1-CG1 4.37Å; L213-V343 HydrophobicContact CD2-CG1 3.87Å; L213-V343 HydrophobicContact CD2-CG2 3.89Å; L213-N552 HydrophobicContact CD2-CB 4.43Å; L213-N552 HydrophobicContact CG-CB 4.35Å
214K94.5Very high93.1Very high159 Ų15956.3 Ų56.369%0.69132%0.319SS*.Hα-helixtrans-61.4-48.7174.5-176.1-179.6-179.2-178.50111.3L210 E211 V212 T216 S217L210-K214 WeakPolarHBondContact O-CB 3.21Å; L210-K214 PolarHBondContact O-N 2.72Å; E211-K214 PolarHBondContact O-N 2.91Å; V212-K214 VanDerWaalsContact C-N 3.34Å; V212-K214 PolarHBondContact O-N 2.88Å; K214-T216 PolarHBondContact O-N 2.58Å; K214-S217 WeakPolarHBondContact O-CB 3.29Å; K214-S217 PolarHBondContact O-N 3.46Å
215S93.8Very high94.2Very high63 Ų6357.9 Ų57.944%0.44131%0.314SS..Hα-helixtrans-59.7-31.3179.8-59.20000112.6E211 V212E211-S215 VanDerWaalsContact O-CB 3.31Å; E211-S215 WeakPolarHBondContact O-CB 3.38Å; E211-S215 PolarHBondContact O-N 2.93Å; E211-S215 PolarHBondContact O-OG 3.4Å; V212-S215 PolarHBondContact O-N 3.37Å
216T96.1Very high94.6Very high1 Ų156.6 Ų56.61%0.00631%0.311CS..THydrogen-bonded Turntrans-106.314.8-177.957.50000114.1V212 L213 K214 N341 H593 V595 Y667V212-T216 PolarHBondContact O-N 3.12Å; V212-T216 VanDerWaalsContact O-N 3.07Å; V212-T216 PolarHBondContact O-OG1 2.84Å; L213-T216 CarbonylContact O-C 3.57Å; L213-T216 PolarHBondContact O-N 2.9Å; K214-T216 PolarHBondContact O-N 2.58Å; T216-N341 PolarHBondContact O-ND2 2.91Å; T216-N341 VanDerWaalsContact O-ND2 3.15Å; T216-H593 WeakPolarHBondContact CB-ND1 3.28Å; T216-H593 HydrophobicContact CG2-CB 3.75Å; T216-H593 WeakPolarHBondContact CG2-ND1 3.27Å; T216-H593 PolarHBondContact OG1-ND1 3.32Å; T216-V595 HydrophobicContact CG2-CG1 4.31Å; T216-Y667 VanDerWaalsContact CG2-CB 3.47Å; T216-Y667 HydrophobicContact CG2-CD1 4.06Å; T216-Y667 HydrophobicContact CG2-CD2 3.82Å; T216-Y667 HydrophobicContact CG2-CG 3.52Å
217S96.9Very high94.8Very high1 Ų154.6 Ų54.61%0.00730%0.298CS..SBendtrans-82.4-19.6173-67.70000112.6L213 K214 I219 E223 Y224 R345L213-S217 WeakPolarHBondContact O-CB 3.45Å; L213-S217 PolarHBondContact O-N 2.87Å; L213-S217 PolarHBondContact O-OG 3.05Å; K214-S217 WeakPolarHBondContact O-CB 3.29Å; K214-S217 PolarHBondContact O-N 3.46Å; S217-I219 PolarHBondContact O-N 3.24Å; S217-E223 CarbonylContact O-C 3.51Å; S217-E223 WeakPolarHBondContact O-CA 3.41Å; S217-Y224 PolarHBondContact O-N 3.26Å; S217-R345 PolarHBondContact OG-NH1 2.9Å
218V97.2Very high94.7Very high71 Ų7153.5 Ų53.543%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-89.1105.5174.2-175.40000108.9R222 V595V218-R222 CarbonylContact C-O 3.54Å; V218-R222 VanDerWaalsContact CA-O 3.3Å; V218-R222 WeakPolarHBondContact CA-O 3.42Å; V218-V595 WeakPolarHBondContact O-CB 3.5Å; V218-V595 WeakPolarHBondContact O-CG1 3.31Å
219I96.1Very high94.5Very high7 Ų752.5 Ų52.54%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-116.5124.9-179.7-53.2173.7000107.8S217 G221 R222 Y224 F340 V384 V595S217-I219 PolarHBondContact O-N 3.24Å; I219-G221 PolarHBondContact O-N 3.01Å; I219-R222 PolarHBondContact N-O 3.18Å; I219-R222 PolarHBondContact O-N 3.4Å; I219-Y224 HydrophobicContact CB-CD2 3.86Å; I219-Y224 HydrophobicContact CB-CE2 3.97Å; I219-Y224 HydrophobicContact CD1-CD2 4.12Å; I219-Y224 HydrophobicContact CG1-CD2 4.15Å; I219-F340 HydrophobicContact CD1-CB 4.29Å; I219-V384 HydrophobicContact CD1-CG1 4.2Å; I219-V384 HydrophobicContact CG2-CG1 4.1Å; I219-V595 CarbonylContact C-O 3.45Å
220N95.2Very high94.2Very high34 Ų3454.4 Ų54.418%0.18231%0.305CS..THydrogen-bonded Turntrans51.539.4-176.6-67-57.7000113.1R222 V384 M385 G386 V595 K597N220-R222 VanDerWaalsContact C-N 3.27Å; N220-R222 PolarHBondContact O-N 3.26Å; N220-V384 PolarHBondContact ND2-O 3.14Å; N220-M385 VanDerWaalsContact ND2-C 3.28Å; N220-G386 PolarHBondContact ND2-N 2.89Å; N220-V595 PolarHBondContact N-O 3.29Å; N220-K597 WeakPolarHBondContact OD1-CB 3.29Å; N220-K597 PolarHBondContact OD1-N 2.72Å
221G94.5Very high94Very high72 Ų7254 Ų5474%0.74230%0.303SS*.THydrogen-bonded Turntrans75.56.4-179.200000115.4I219I219-G221 PolarHBondContact O-N 3.01Å
222R96.3Very high94Very high35 Ų3549.2 Ų49.213%0.13228%0.281CS..EExtended strand (participates in β ladder)trans-118.4141.9-179.8-61.8175-176.9124.87.4110.9V218 I219 N220 Y224 D247 K383 G386V218-R222 CarbonylContact C-O 3.54Å; V218-R222 VanDerWaalsContact CA-O 3.3Å; V218-R222 WeakPolarHBondContact CA-O 3.42Å; I219-R222 PolarHBondContact N-O 3.18Å; I219-R222 PolarHBondContact O-N 3.4Å; N220-R222 VanDerWaalsContact C-N 3.27Å; N220-R222 PolarHBondContact O-N 3.26Å; R222-Y224 HydrophobicContact CB-CE2 3.67Å; R222-Y224 WeakPolarHBondContact CB-OH 3.37Å; R222-Y224 VanDerWaalsContact CD-OH 3.26Å; R222-Y224 WeakPolarHBondContact CD-OH 3.46Å; R222-Y224 WeakPolarHBondContact O-CD2 3.41Å; R222-Y224 WeakPolarHBondContact O-CE2 3.4Å; R222-D247 HydrophobicContact CG-CB 4.39Å; R222-K383 PolarHBondContact NH1-O 2.98Å; R222-G386 PolarHBondContact NH1-O 3.06Å; R222-G386 VanDerWaalsContact NH1-O 3.09Å
223E95.9Very high93.7Very high112 Ų11253.4 Ų53.452%0.52330%0.303SS..EExtended strand (participates in β ladder)trans-88.4127.9-178.5-173.1-178.3-12200112.3S217 L225S217-E223 CarbonylContact O-C 3.51Å; S217-E223 WeakPolarHBondContact O-CA 3.41Å; E223-L225 HydrophobicContact CG-CD2 3.95Å; E223-L225 HydrophobicContact CG-CG 4.09Å
224Y97Very high93.4Very high5 Ų559.5 Ų59.52%0.0233%0.331CS..  trans-129.793.4175.4-55-76.9000109.4S217 I219 R222 R345 V347 K383 V384S217-Y224 PolarHBondContact O-N 3.26Å; I219-Y224 HydrophobicContact CB-CD2 3.86Å; I219-Y224 HydrophobicContact CB-CE2 3.97Å; I219-Y224 HydrophobicContact CD1-CD2 4.12Å; I219-Y224 HydrophobicContact CG1-CD2 4.15Å; R222-Y224 HydrophobicContact CB-CE2 3.67Å; R222-Y224 WeakPolarHBondContact CB-OH 3.37Å; R222-Y224 VanDerWaalsContact CD-OH 3.26Å; R222-Y224 WeakPolarHBondContact CD-OH 3.46Å; R222-Y224 WeakPolarHBondContact O-CD2 3.41Å; R222-Y224 WeakPolarHBondContact O-CE2 3.4Å; Y224-R345 WeakPolarHBondContact O-CD 3.4Å; Y224-R345 PolarHBondContact O-NH1 3.35Å; Y224-V347 HydrophobicContact CD1-CG2 3.96Å; Y224-V347 HydrophobicContact CE1-CG1 4.07Å; Y224-V347 HydrophobicContact CE1-CG2 4.24Å; Y224-K383 WeakPolarHBondContact OH-CG 2.94Å; Y224-K383 PolarHBondContact OH-O 2.9Å; Y224-K383 VanDerWaalsContact OH-O 3.05Å; Y224-V384 HydrophobicContact CD1-CG2 4.18Å; Y224-V384 HydrophobicContact CE1-CG2 3.81Å; Y224-V384 HydrophobicContact CE2-CB 4.5Å; Y224-V384 HydrophobicContact CE2-CG1 4.38Å; Y224-V384 HydrophobicContact CE2-CG2 4.26Å
225L92.2Very high93.4Very high86 Ų8654.4 Ų54.445%0.4531%0.31SS..PPolyproline II helixtrans-72.7155.6-180-61.8178.2000111.9E223 F227 R345 K346E223-L225 HydrophobicContact CG-CD2 3.95Å; E223-L225 HydrophobicContact CG-CG 4.09Å; L225-F227 PolarHBondContact O-N 3.41Å; L225-R345 WeakPolarHBondContact O-CA 3.37Å; L225-K346 PolarHBondContact O-N 3.47Å
226P93.7Very high93.3Very high29 Ų2956.1 Ų56.119%0.18831%0.306CS..BIsolated β-bridgetrans-51.2137.9168.7-25.234.5000111.3L213 L228 V343 P344L213-P226 HydrophobicContact CB-CG 4.31Å; L213-P226 HydrophobicContact CD1-CG 4.28Å; P226-L228 PolarHBondContact O-N 3.27Å; P226-V343 HydrophobicContact CB-CG2 4.25Å; P226-V343 HydrophobicContact CG-CG2 4.24Å; P226-P344 CarbonylContact C-O 3.39Å; P226-P344 WeakPolarHBondContact CA-O 3.49Å
227F93.2Very high93.2Very high18 Ų1857.1 Ų57.18%0.07931%0.311CS..PPolyproline II helixtrans-75.7119.6179.9-167.2-82.6000109.9L225 D229 D232 L233 Y318 M335 R337 P344 K346L225-F227 PolarHBondContact O-N 3.41Å; F227-D229 WeakPolarHBondContact CD1-OD1 3.49Å; F227-D229 VanDerWaalsContact CE1-OD1 3.24Å; F227-D229 WeakPolarHBondContact CE1-OD1 3.49Å; F227-D232 WeakPolarHBondContact CA-OD2 3.49Å; F227-D232 HydrophobicContact CD1-CB 4.34Å; F227-D232 HydrophobicContact CD2-CB 4.03Å; F227-D232 HydrophobicContact CE1-CB 4.02Å; F227-D232 HydrophobicContact CE2-CB 3.7Å; F227-D232 HydrophobicContact CG-CB 4.34Å; F227-D232 HydrophobicContact CZ-CB 3.69Å; F227-L233 HydrophobicContact CE1-CD2 4.27Å; F227-L233 HydrophobicContact CE1-CG 4.43Å; F227-L233 HydrophobicContact CZ-CD2 4.07Å; F227-Y318 HydrophobicContact CZ-CE2 4.39Å; F227-M335 HydrophobicContact CE2-CE 3.68Å; F227-M335 HydrophobicContact CE2-SD 3.83Å; F227-M335 HydrophobicContact CZ-CE 3.88Å; F227-R337 HydrophobicContact CB-CG 4.36Å; F227-R337 HydrophobicContact CD2-CB 4.21Å; F227-R337 HydrophobicContact CD2-CG 3.86Å; F227-R337 HydrophobicContact CE2-CB 4.22Å; F227-R337 HydrophobicContact CE2-CG 4.26Å; F227-R337 HydrophobicContact CG-CG 4Å; F227-P344 HydrophobicContact CB-CB 4.08Å; F227-P344 PolarHBondContact N-O 3.41Å; F227-K346 HydrophobicContact CD2-CB 3.96Å
228L90.8Very high93Very high76 Ų7657.1 Ų57.140%0.39831%0.311SS..  trans-110.2103.9179.5-61.8177.7000109.1P226 A230 L231 D232P226-L228 PolarHBondContact O-N 3.27Å; L228-A230 PolarHBondContact O-N 3.26Å; L228-A230 VanDerWaalsContact O-N 3.07Å; L228-L231 HydrophobicContact CB-CB 4.39Å; L228-L231 HydrophobicContact CD1-CD1 4.01Å; L228-L231 PolarHBondContact O-N 3.01Å; L228-D232 PolarHBondContact N-OD2 3.15Å; L228-D232 PolarHBondContact O-N 3.37Å
229D87.3Confident92.7Very high94 Ų9456.4 Ų56.450%0.50330%0.302SS..Hα-helixtrans-50-41.3-174.9-71-22.3000113F227 L231 L233F227-D229 WeakPolarHBondContact CD1-OD1 3.49Å; F227-D229 VanDerWaalsContact CE1-OD1 3.24Å; F227-D229 WeakPolarHBondContact CE1-OD1 3.49Å; D229-L231 VanDerWaalsContact C-N 3.26Å; D229-L231 PolarHBondContact O-N 3.42Å; D229-L233 HydrophobicContact CB-CD1 4.08Å; D229-L233 VanDerWaalsContact O-CB 3.25Å; D229-L233 WeakPolarHBondContact O-CB 3.44Å; D229-L233 WeakPolarHBondContact O-CD1 3.3Å; D229-L233 WeakPolarHBondContact O-CG 3.36Å; D229-L233 PolarHBondContact O-N 2.77Å
230A87.6Confident92.2Very high57 Ų5757.5 Ų57.547%0.47131%0.312SS..Hα-helixtrans-63.4-28.9-179.300000113.8M179 L228 Q234M179-A230 HydrophobicContact CE-CB 4.35Å; L228-A230 PolarHBondContact O-N 3.26Å; L228-A230 VanDerWaalsContact O-N 3.07Å; A230-Q234 PolarHBondContact O-NE2 3.17Å
231L90.2Very high92Very high86 Ų8661.8 Ų61.845%0.4534%0.335SS..Hα-helixtrans-104.8-50.5-176.5-64.2178.3000111.8P177 L228 D229 L233 Q234P177-L231 HydrophobicContact CG-CD2 4.42Å; L228-L231 HydrophobicContact CB-CB 4.39Å; L228-L231 HydrophobicContact CD1-CD1 4.01Å; L228-L231 PolarHBondContact O-N 3.01Å; D229-L231 VanDerWaalsContact C-N 3.26Å; D229-L231 PolarHBondContact O-N 3.42Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 3.06Å; L231-Q234 WeakPolarHBondContact O-CB 3.39Å; L231-Q234 PolarHBondContact O-N 3.48Å
232D93.1Very high92Very high18 Ų1860.6 Ų60.610%0.09631%0.314CS..Hα-helixtrans-72.7-25.7-171.1-69.1-43.9000113F227 L228 Q234 E235 K346F227-D232 WeakPolarHBondContact CA-OD2 3.49Å; F227-D232 HydrophobicContact CD1-CB 4.34Å; F227-D232 HydrophobicContact CD2-CB 4.03Å; F227-D232 HydrophobicContact CE1-CB 4.02Å; F227-D232 HydrophobicContact CE2-CB 3.7Å; F227-D232 HydrophobicContact CG-CB 4.34Å; F227-D232 HydrophobicContact CZ-CB 3.69Å; L228-D232 PolarHBondContact N-OD2 3.15Å; L228-D232 PolarHBondContact O-N 3.37Å; D232-Q234 PolarHBondContact O-N 3.46Å; D232-E235 WeakPolarHBondContact O-CB 3.39Å; D232-E235 PolarHBondContact O-N 2.74Å; D232-K346 HydrophobicContact CB-CD 4.25Å; D232-K346 WeakPolarHBondContact OD1-CD 3.28Å; D232-K346 WeakPolarHBondContact OD1-CE 3.39Å; D232-K346 IonicContact OD1-NZ 2.75Å; D232-K346 PolarHBondContact OD1-NZ 2.96Å
233L91.2Very high92Very high95 Ų9561 Ų6150%0.49732%0.317SS..THydrogen-bonded Turntrans-70.1-9.7171.1-62.8177.5000113F227 D229 L231 Y318F227-L233 HydrophobicContact CE1-CD2 4.27Å; F227-L233 HydrophobicContact CE1-CG 4.43Å; F227-L233 HydrophobicContact CZ-CD2 4.07Å; D229-L233 HydrophobicContact CB-CD1 4.08Å; D229-L233 VanDerWaalsContact O-CB 3.25Å; D229-L233 WeakPolarHBondContact O-CB 3.44Å; D229-L233 WeakPolarHBondContact O-CD1 3.3Å; D229-L233 WeakPolarHBondContact O-CG 3.36Å; D229-L233 PolarHBondContact O-N 2.77Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 3.06Å; L233-Y318 HydrophobicContact CD2-CD1 4.48Å; L233-Y318 HydrophobicContact CD2-CE1 3.55Å
234Q89.2Confident92.1Very high131 Ų13159.9 Ų59.961%0.61232%0.317SS*.THydrogen-bonded Turntrans-97.68.2174.1-50-173.134.300112.9A230 L231 D232 R236A230-Q234 PolarHBondContact O-NE2 3.17Å; L231-Q234 WeakPolarHBondContact O-CB 3.39Å; L231-Q234 PolarHBondContact O-N 3.48Å; D232-Q234 PolarHBondContact O-N 3.46Å; Q234-R236 PolarHBondContact O-N 3.42Å
235E93.5Very high92.1Very high51 Ų5159.9 Ų59.924%0.23832%0.318CS..  trans-55.5134.6179.2-176.765.9-118.900111.4D232 F237 K333 M335 K346 I348D232-E235 WeakPolarHBondContact O-CB 3.39Å; D232-E235 PolarHBondContact O-N 2.74Å; E235-F237 HydrophobicContact CB-CE2 3.84Å; E235-F237 HydrophobicContact CB-CZ 3.88Å; E235-F237 HydrophobicContact CG-CE1 4.18Å; E235-F237 HydrophobicContact CG-CE2 4.05Å; E235-F237 HydrophobicContact CG-CZ 3.73Å; E235-F237 WeakPolarHBondContact O-CD2 3.21Å; E235-F237 WeakPolarHBondContact O-CE2 3.41Å; E235-K333 IonicContact OE1-NZ 2.8Å; E235-K333 PolarHBondContact OE1-NZ 2.75Å; E235-M335 HydrophobicContact CB-SD 4.3Å; E235-M335 HydrophobicContact CG-SD 4.37Å; E235-K346 IonicContact OE2-NZ 2.64Å; E235-K346 PolarHBondContact OE2-NZ 3.44Å; E235-I348 HydrophobicContact CG-CD1 4.31Å
236R92.5Very high92.3Very high99 Ų9963.9 Ų63.937%0.37433%0.332SS..  trans-85126-179.9-178.8178.4174.6162.15.2110.3L119 Q234 S238 F239 K333L119-R236 VanDerWaalsContact CD1-NH2 3.29Å; Q234-R236 PolarHBondContact O-N 3.42Å; R236-S238 PolarHBondContact NE-O 3.39Å; R236-S238 PolarHBondContact NH2-O 3.04Å; R236-F239 HydrophobicContact CB-CZ 4.34Å; R236-F239 HydrophobicContact CG-CE1 4.37Å; R236-F239 HydrophobicContact CG-CE2 4.5Å; R236-F239 HydrophobicContact CG-CZ 4.02Å; R236-F239 WeakPolarHBondContact O-CE2 3.33Å; R236-F239 WeakPolarHBondContact O-CZ 3.4Å; R236-K333 WeakPolarHBondContact O-CD 3.34Å; R236-K333 PolarHBondContact O-NZ 2.76Å
237F94.4Very high92.3Very high22 Ų2265 Ų6510%0.09634%0.336CS..  trans-107.6-12.5179.1-65.3-79.7000114.2E235 F239 P319 N329 C331 K333 M335E235-F237 HydrophobicContact CB-CE2 3.84Å; E235-F237 HydrophobicContact CB-CZ 3.88Å; E235-F237 HydrophobicContact CG-CE1 4.18Å; E235-F237 HydrophobicContact CG-CE2 4.05Å; E235-F237 HydrophobicContact CG-CZ 3.73Å; E235-F237 WeakPolarHBondContact O-CD2 3.21Å; E235-F237 WeakPolarHBondContact O-CE2 3.41Å; F237-F239 WeakPolarHBondContact O-CD2 3.48Å; F237-P319 HydrophobicContact CB-CB 4.15Å; F237-P319 HydrophobicContact CB-CG 4.09Å; F237-P319 HydrophobicContact CD1-CB 4.33Å; F237-P319 HydrophobicContact CD1-CG 4.27Å; F237-P319 HydrophobicContact CD2-CB 3.72Å; F237-P319 HydrophobicContact CD2-CG 4.44Å; F237-P319 HydrophobicContact CE2-CB 4.21Å; F237-P319 HydrophobicContact CG-CB 3.79Å; F237-P319 HydrophobicContact CG-CG 4Å; F237-N329 PolarHBondContact O-ND2 3.4Å; F237-C331 WeakPolarHBondContact O-CB 3.41Å; F237-K333 HydrophobicContact CD1-CB 4.38Å; F237-K333 HydrophobicContact CD1-CD 4.29Å; F237-K333 HydrophobicContact CD1-CG 4.11Å; F237-M335 HydrophobicContact CE1-CB 3.66Å; F237-M335 HydrophobicContact CZ-CB 3.69Å; F237-M335 HydrophobicContact CZ-CE 4.14Å; F237-M335 HydrophobicContact CZ-SD 4.43Å
238S92.5Very high92.4Very high1 Ų165.8 Ų65.81%0.00735%0.349CS..  trans-104.7121.8-169.8-47.50000112.6F96 D100 R236F96-S238 VanDerWaalsContact CE1-OG 3.24Å; F96-S238 WeakPolarHBondContact CE1-OG 3.47Å; D100-S238 WeakPolarHBondContact OD2-CB 3.16Å; D100-S238 PolarHBondContact OD2-OG 3.47Å; R236-S238 PolarHBondContact NE-O 3.39Å; R236-S238 PolarHBondContact NH2-O 3.04Å
239F90.7Very high92.7Very high57 Ų5766.5 Ų66.525%0.2535%0.353CS..  trans-141.1150.9-176.1-58.1-85.3000111.7R93 R236 F237 N241 C331 K333R93-F239 WeakPolarHBondContact CD-O 3.14Å; R236-F239 HydrophobicContact CB-CZ 4.34Å; R236-F239 HydrophobicContact CG-CE1 4.37Å; R236-F239 HydrophobicContact CG-CE2 4.5Å; R236-F239 HydrophobicContact CG-CZ 4.02Å; R236-F239 WeakPolarHBondContact O-CE2 3.33Å; R236-F239 WeakPolarHBondContact O-CZ 3.4Å; F237-F239 WeakPolarHBondContact O-CD2 3.48Å; F239-N241 VanDerWaalsContact C-N 3.31Å; F239-N241 WeakPolarHBondContact CB-O 3.32Å; F239-N241 PolarHBondContact O-N 3.01Å; F239-C331 PolarHBondContact N-SG 3.19Å; F239-C331 VanDerWaalsContact N-SG 3.43Å; F239-K333 HydrophobicContact CE2-CB 4.49Å; F239-K333 HydrophobicContact CE2-CD 3.58Å; F239-K333 HydrophobicContact CZ-CD 4.2Å
240A85.6Confident93.1Very high29 Ų2962.3 Ų62.324%0.2433%0.331CS..SBendtrans-67.6-30.6177.200000113.4R93 L119R93-A240 PolarHBondContact NE-O 3.01Å; R93-A240 PolarHBondContact NH2-O 3.24Å; L119-A240 HydrophobicContact CD2-CB 4.13Å
241N91.4Very high93.5Very high124 Ų12461.4 Ų61.466%0.66332%0.323SS*.SBendtrans-110.5148.9174.7-67.4-39.1000110.3F239 F243F239-N241 VanDerWaalsContact C-N 3.31Å; F239-N241 WeakPolarHBondContact CB-O 3.32Å; F239-N241 PolarHBondContact O-N 3.01Å; N241-F243 PolarHBondContact O-N 2.89Å
242P92.8Very high93.8Very high47 Ų4757.8 Ų57.831%0.30530%0.304SS..  trans-56.2128.3173.4-24.134.7000111.3C331P242-C331 CarbonylContact C-O 3.6Å; P242-C331 WeakPolarHBondContact CA-O 3.43Å
243F97.3Very high93.8Very high43 Ų4357.7 Ų57.719%0.18931%0.305CS..  trans-62135.7177.9178.4-98.5000110.3N241 D245 R265 C331 K333 I348 D350N241-F243 PolarHBondContact O-N 2.89Å; F243-D245 HydrophobicContact CE1-CB 4.48Å; F243-R265 VanDerWaalsContact O-CZ 3.29Å; F243-R265 PolarHBondContact O-NH1 2.9Å; F243-R265 PolarHBondContact O-NH2 3.38Å; F243-C331 WeakPolarHBondContact CB-O 3.17Å; F243-C331 PolarHBondContact N-O 3.11Å; F243-K333 HydrophobicContact CB-CB 3.67Å; F243-K333 HydrophobicContact CB-CG 4.41Å; F243-K333 HydrophobicContact CD1-CB 3.71Å; F243-K333 HydrophobicContact CD1-CD 4.36Å; F243-K333 HydrophobicContact CD1-CG 3.69Å; F243-K333 HydrophobicContact CD2-CB 4.22Å; F243-K333 HydrophobicContact CD2-CD 3.83Å; F243-K333 HydrophobicContact CD2-CG 4.08Å; F243-K333 HydrophobicContact CE1-CB 4.43Å; F243-K333 HydrophobicContact CE1-CD 4.46Å; F243-K333 HydrophobicContact CE1-CG 3.91Å; F243-K333 HydrophobicContact CE2-CD 3.94Å; F243-K333 HydrophobicContact CE2-CG 4.27Å; F243-K333 HydrophobicContact CG-CB 3.59Å; F243-K333 HydrophobicContact CG-CD 4.06Å; F243-K333 HydrophobicContact CG-CG 3.79Å; F243-K333 HydrophobicContact CZ-CD 4.26Å; F243-K333 HydrophobicContact CZ-CG 4.2Å; F243-I348 HydrophobicContact CE1-CG2 3.82Å; F243-I348 HydrophobicContact CZ-CG2 3.66Å; F243-D350 HydrophobicContact CD1-CB 3.73Å; F243-D350 HydrophobicContact CE1-CB 4.16Å; F243-D350 WeakPolarHBondContact O-CB 3.32Å
244V97.7Very high93.9Very high89 Ų8959.2 Ų59.254%0.53931%0.313SS..  trans-119.2130.4172.9-177.80000106.6K246 F352V244-K246 PolarHBondContact O-N 2.59Å; V244-F352 HydrophobicContact CG2-CE2 4.4Å
245D96.9Very high94Very high6 Ų659.5 Ų59.53%0.03231%0.313CS..  trans-63.3128.4177.9-163.8-26.4000109.9F243 D247 G248 D350 K383F243-D245 HydrophobicContact CE1-CB 4.48Å; D245-D247 PolarHBondContact O-N 2.63Å; D245-D247 PolarHBondContact OD1-N 3.1Å; D245-D247 VanDerWaalsContact OD1-N 3.12Å; D245-G248 PolarHBondContact O-N 3.49Å; D245-D350 HydrophobicContact CB-CB 4.11Å; D245-D350 WeakPolarHBondContact CB-OD2 3.37Å; D245-D350 PolarHBondContact N-OD2 2.96Å; D245-K383 IonicContact OD1-NZ 3.4Å; D245-K383 PolarHBondContact OD1-NZ 2.69Å; D245-K383 WeakPolarHBondContact OD2-CE 3.46Å; D245-K383 IonicContact OD2-NZ 2.62Å; D245-K383 PolarHBondContact OD2-NZ 3.28Å
246K96.1Very high94Very high170 Ų17057.1 Ų57.174%0.73930%0.301SS*.THydrogen-bonded Turntrans-61.5-25.2179.766.1172.7-173.8172.60112.4V244 G248V244-K246 PolarHBondContact O-N 2.59Å; K246-G248 PolarHBondContact O-N 3.16Å
247D95.4Very high94.1Very high52 Ų5258.3 Ų58.328%0.27831%0.306SS..THydrogen-bonded Turntrans-84.7-0.9-179.4-56.2-40.2000112.5R222 D245 K383R222-D247 HydrophobicContact CG-CB 4.39Å; D245-D247 PolarHBondContact O-N 2.63Å; D245-D247 PolarHBondContact OD1-N 3.1Å; D245-D247 VanDerWaalsContact OD1-N 3.12Å; D247-K383 WeakPolarHBondContact OD2-CE 3.44Å; D247-K383 IonicContact OD2-NZ 3.03Å; D247-K383 PolarHBondContact OD2-NZ 3.1Å
248G95Very high94.2Very high34 Ų3460.6 Ų60.635%0.35133%0.325SS..  trans75.6-165.5176.600000114.7D245 K246D245-G248 PolarHBondContact O-N 3.49Å; K246-G248 PolarHBondContact O-N 3.16Å
249L97Very high94.3Very high91 Ų9163.8 Ų63.848%0.47634%0.341SS..SBendtrans-76.3137.8-179.8-59172000110.4W263 F352L249-W263 HydrophobicContact CB-CD2 4.4Å; L249-W263 HydrophobicContact CB-CH2 4.44Å; L249-W263 HydrophobicContact CB-CZ2 4.02Å; L249-W263 HydrophobicContact CD1-CB 4.47Å; L249-W263 HydrophobicContact CD1-CD2 4.18Å; L249-W263 HydrophobicContact CD1-CG 3.86Å; L249-W263 HydrophobicContact CD2-CB 4.32Å; L249-W263 HydrophobicContact CD2-CD2 3.77Å; L249-W263 HydrophobicContact CD2-CE3 3.9Å; L249-W263 HydrophobicContact CD2-CG 3.97Å; L249-W263 HydrophobicContact CD2-CZ3 4.44Å; L249-W263 HydrophobicContact CG-CD2 4.34Å; L249-W263 HydrophobicContact CG-CG 4.44Å; L249-F352 HydrophobicContact CD2-CB 3.95Å; L249-F352 HydrophobicContact CD2-CD2 4.19Å; L249-F352 HydrophobicContact CD2-CG 4.16Å
250L96Very high94.6Very high7 Ų763.3 Ų63.34%0.03734%0.341CS..PPolyproline II helixtrans-65.6141.3-179.4-60.6-174.1000111.5L252 W263 K379 M382 K383 Y388L250-L252 PolarHBondContact O-N 2.97Å; L250-W263 HydrophobicContact CB-CH2 4.28Å; L250-W263 WeakPolarHBondContact O-CZ2 3.5Å; L250-K379 HydrophobicContact CD1-CG 3.89Å; L250-M382 HydrophobicContact CD1-CB 4.06Å; L250-K383 HydrophobicContact CD1-CB 4.13Å; L250-K383 HydrophobicContact CD2-CB 3.83Å; L250-K383 HydrophobicContact CD2-CG 3.88Å; L250-Y388 HydrophobicContact CB-CD2 3.84Å; L250-Y388 HydrophobicContact CB-CE2 4.1Å; L250-Y388 HydrophobicContact CD1-CD2 4.12Å; L250-Y388 HydrophobicContact CD1-CE2 3.81Å; L250-Y388 HydrophobicContact CG-CE2 4.47Å
251A95.4Very high95.1Very high37 Ų3765.1 Ų65.131%0.30635%0.352SS..BIsolated β-bridgetrans-58.5135.1172.800000110G387 Y388 D389A251-G387 CarbonylContact O-C 3.6Å; A251-Y388 WeakPolarHBondContact O-CA 3.37Å; A251-Y388 WeakPolarHBondContact O-CB 3.18Å; A251-Y388 PolarHBondContact O-N 3.16Å; A251-D389 PolarHBondContact O-N 2.6Å
252L95.6Very high95.3Very high10 Ų1062.9 Ų62.95%0.05233%0.334CS..PPolyproline II helixtrans-98.8152.5178.6-65-179.8000110.4L250 Q256 R257 L260 W263 P354 Y388L250-L252 PolarHBondContact O-N 2.97Å; L252-Q256 HydrophobicContact CB-CB 3.96Å; L252-Q256 HydrophobicContact CD1-CB 4.46Å; L252-Q256 HydrophobicContact CD2-CB 4.31Å; L252-Q256 HydrophobicContact CG-CB 4.47Å; L252-R257 HydrophobicContact CB-CG 3.73Å; L252-R257 HydrophobicContact CD1-CG 4.47Å; L252-R257 PolarHBondContact O-NH1 3.41Å; L252-R257 PolarHBondContact O-NH2 2.77Å; L252-L260 HydrophobicContact CD1-CB 4.37Å; L252-L260 HydrophobicContact CD1-CD1 3.89Å; L252-L260 HydrophobicContact CD1-CD2 3.75Å; L252-L260 HydrophobicContact CD1-CG 4.21Å; L252-W263 HydrophobicContact CD1-CZ2 4.1Å; L252-W263 HydrophobicContact CD2-CH2 4.02Å; L252-W263 HydrophobicContact CD2-CZ2 3.77Å; L252-W263 HydrophobicContact CG-CZ2 3.92Å; L252-P354 HydrophobicContact CD1-CB 4.37Å; L252-P354 HydrophobicContact CD2-CB 3.95Å; L252-P354 HydrophobicContact CD2-CG 4.04Å; L252-Y388 HydrophobicContact CD2-CD2 3.81Å; L252-Y388 HydrophobicContact CD2-CG 4.29Å
253S92.8Very high95.5Very high17 Ų1762.8 Ų62.812%0.11933%0.328CS..PPolyproline II helixtrans-64.2163.2166.866.70000111.5K255 Q256 R257S253-K255 PolarHBondContact O-N 3.46Å; S253-Q256 PolarHBondContact O-N 3.17Å; S253-Q256 WeakPolarHBondContact OG-CB 3.4Å; S253-Q256 VanDerWaalsContact OG-CG 3.31Å; S253-Q256 WeakPolarHBondContact OG-CG 3.44Å; S253-Q256 PolarHBondContact OG-N 3.08Å; S253-Q256 PolarHBondContact OG-OE1 3.45Å; S253-R257 WeakPolarHBondContact O-CG 3.38Å; S253-R257 PolarHBondContact O-N 3.25Å
254N93.2Very high95.4Very high126 Ų12660.8 Ų60.867%0.67432%0.319SS*.Hα-helixtrans-54.3-42.2174.3-76-26.2000112.1R257 S258N254-R257 PolarHBondContact O-N 3.41Å; N254-R257 PolarHBondContact OD1-NH2 2.93Å; N254-S258 PolarHBondContact O-N 3.11Å; N254-S258 VanDerWaalsContact O-N 3.1Å
255K91.4Very high95.2Very high138 Ų13857.4 Ų57.460%0.630%0.297SS*.Hα-helixtrans-64.9-48.1179.5-164.7175.4173.1-177.50111.1S253 R257 S258 L259 V288S253-K255 PolarHBondContact O-N 3.46Å; K255-R257 PolarHBondContact O-N 3.07Å; K255-S258 PolarHBondContact O-N 3.17Å; K255-S258 PolarHBondContact O-OG 3.03Å; K255-L259 HydrophobicContact CG-CD1 4.43Å; K255-L259 WeakPolarHBondContact O-CG 3.39Å; K255-L259 PolarHBondContact O-N 3.39Å; K255-V288 HydrophobicContact CB-CG1 3.96Å; K255-V288 HydrophobicContact CD-CG1 3.43Å; K255-V288 VanDerWaalsContact CD-CG1 3.43Å; K255-V288 HydrophobicContact CG-CG1 3.47Å; K255-V288 VanDerWaalsContact CG-CG1 3.47Å
256Q94.5Very high95Very high0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-62.2-43.2176.6-71.2167-50.100112.2L252 S253 S258 L259 L260 V288 L362 Y388L252-Q256 HydrophobicContact CB-CB 3.96Å; L252-Q256 HydrophobicContact CD1-CB 4.46Å; L252-Q256 HydrophobicContact CD2-CB 4.31Å; L252-Q256 HydrophobicContact CG-CB 4.47Å; S253-Q256 PolarHBondContact O-N 3.17Å; S253-Q256 WeakPolarHBondContact OG-CB 3.4Å; S253-Q256 VanDerWaalsContact OG-CG 3.31Å; S253-Q256 WeakPolarHBondContact OG-CG 3.44Å; S253-Q256 PolarHBondContact OG-N 3.08Å; S253-Q256 PolarHBondContact OG-OE1 3.45Å; Q256-S258 VanDerWaalsContact C-N 3.3Å; Q256-S258 PolarHBondContact O-N 2.96Å; Q256-L259 CarbonylContact O-C 3.54Å; Q256-L259 PolarHBondContact O-N 3.01Å; Q256-L259 VanDerWaalsContact O-N 3.14Å; Q256-L260 WeakPolarHBondContact O-CB 3.19Å; Q256-L260 PolarHBondContact O-N 2.93Å; Q256-V288 HydrophobicContact CG-CB 4.3Å; Q256-V288 HydrophobicContact CG-CG1 4.18Å; Q256-V288 WeakPolarHBondContact CG-O 3.45Å; Q256-L362 HydrophobicContact CB-CD1 4.45Å; Q256-L362 HydrophobicContact CG-CB 4.3Å; Q256-L362 PolarHBondContact NE2-O 2.82Å; Q256-L362 WeakPolarHBondContact O-CD1 3.1Å; Q256-Y388 VanDerWaalsContact OE1-CB 3.31Å; Q256-Y388 PolarHBondContact OE1-O 2.82Å
257R95.4Very high94.6Very high124 Ų12450.1 Ų50.147%0.46827%0.268SS..Hα-helixtrans-56.1-43.7175.8-77-168.4-80.3-97.3-4.6112.3L252 S253 N254 K255 L259 L260L252-R257 HydrophobicContact CB-CG 3.73Å; L252-R257 HydrophobicContact CD1-CG 4.47Å; L252-R257 PolarHBondContact O-NH1 3.41Å; L252-R257 PolarHBondContact O-NH2 2.77Å; S253-R257 WeakPolarHBondContact O-CG 3.38Å; S253-R257 PolarHBondContact O-N 3.25Å; N254-R257 PolarHBondContact O-N 3.41Å; N254-R257 PolarHBondContact OD1-NH2 2.93Å; K255-R257 PolarHBondContact O-N 3.07Å; R257-L259 VanDerWaalsContact C-N 3.25Å; R257-L259 PolarHBondContact O-N 2.54Å; R257-L260 PolarHBondContact O-N 2.8Å
258S95.8Very high94.3Very high71 Ų7150.4 Ų50.450%0.49727%0.269SS..Hα-helixtrans-65-30.4-179.975.60000113.4N254 K255 Q256 K357N254-S258 PolarHBondContact O-N 3.11Å; N254-S258 VanDerWaalsContact O-N 3.1Å; K255-S258 PolarHBondContact O-N 3.17Å; K255-S258 PolarHBondContact O-OG 3.03Å; Q256-S258 VanDerWaalsContact C-N 3.3Å; Q256-S258 PolarHBondContact O-N 2.96Å; S258-K357 PolarHBondContact O-NZ 2.97Å
259L95.3Very high93.8Very high68 Ų6850 Ų5036%0.35626%0.257SS..Hα-helixtrans-92.7-15.7-178.8-63.5175.6000113.1K255 Q256 R257 S261 V288 G356 K357 L362K255-L259 HydrophobicContact CG-CD1 4.43Å; K255-L259 WeakPolarHBondContact O-CG 3.39Å; K255-L259 PolarHBondContact O-N 3.39Å; Q256-L259 CarbonylContact O-C 3.54Å; Q256-L259 PolarHBondContact O-N 3.01Å; Q256-L259 VanDerWaalsContact O-N 3.14Å; R257-L259 VanDerWaalsContact C-N 3.25Å; R257-L259 PolarHBondContact O-N 2.54Å; L259-S261 PolarHBondContact O-N 2.73Å; L259-V288 HydrophobicContact CD1-CG1 4.11Å; L259-V288 HydrophobicContact CD1-CG2 3.93Å; L259-G356 CarbonylContact O-C 3.51Å; L259-G356 VanDerWaalsContact O-CA 3.25Å; L259-G356 WeakPolarHBondContact O-CA 3.49Å; L259-K357 WeakPolarHBondContact O-CG 3.14Å; L259-K357 PolarHBondContact O-N 3.09Å; L259-L362 HydrophobicContact CB-CD1 4.11Å; L259-L362 HydrophobicContact CB-CD2 3.93Å; L259-L362 HydrophobicContact CD1-CD2 4.33Å
260L96.7Very high93.1Very high46 Ų4646.2 Ų46.224%0.24124%0.237CC..EExtended strand (participates in β ladder)trans-59.3132.1-175-173.471.9000111.2L252 Q256 R257 P354 K357 L362L252-L260 HydrophobicContact CD1-CB 4.37Å; L252-L260 HydrophobicContact CD1-CD1 3.89Å; L252-L260 HydrophobicContact CD1-CD2 3.75Å; L252-L260 HydrophobicContact CD1-CG 4.21Å; Q256-L260 WeakPolarHBondContact O-CB 3.19Å; Q256-L260 PolarHBondContact O-N 2.93Å; R257-L260 PolarHBondContact O-N 2.8Å; L260-P354 HydrophobicContact CD1-CB 3.82Å; L260-K357 WeakPolarHBondContact O-CE 3.41Å; L260-L362 HydrophobicContact CB-CD1 4.22Å; L260-L362 HydrophobicContact CD1-CD1 4.14Å
261S95.6Very high92.3Very high67 Ų6749.7 Ų49.747%0.46926%0.262SS..EExtended strand (participates in β ladder)trans-97.2-55.6163.9175.60000110.4L259 M355 G356L259-S261 PolarHBondContact O-N 2.73Å; S261-M355 WeakPolarHBondContact CB-O 3.27Å; S261-M355 PolarHBondContact N-O 3.46Å; S261-G356 WeakPolarHBondContact CB-O 3.44Å
262R95.5Very high91.7Very high78 Ų7850 Ų5029%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-166.9166.3-176.655.8-175.6162.797.29111V264 M355R262-V264 HydrophobicContact CG-CG1 3.85Å; R262-M355 PolarHBondContact N-O 3.36Å; R262-M355 PolarHBondContact O-N 3.41Å
263W96.8Very high91.4Very high45 Ų4550.2 Ų50.217%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-87.7140.9165.2-69.182.1000109.9L249 L250 L252 F352 L353 P354 Y388L249-W263 HydrophobicContact CB-CD2 4.4Å; L249-W263 HydrophobicContact CB-CH2 4.44Å; L249-W263 HydrophobicContact CB-CZ2 4.02Å; L249-W263 HydrophobicContact CD1-CB 4.47Å; L249-W263 HydrophobicContact CD1-CD2 4.18Å; L249-W263 HydrophobicContact CD1-CG 3.86Å; L249-W263 HydrophobicContact CD2-CB 4.32Å; L249-W263 HydrophobicContact CD2-CD2 3.77Å; L249-W263 HydrophobicContact CD2-CE3 3.9Å; L249-W263 HydrophobicContact CD2-CG 3.97Å; L249-W263 HydrophobicContact CD2-CZ3 4.44Å; L249-W263 HydrophobicContact CG-CD2 4.34Å; L249-W263 HydrophobicContact CG-CG 4.44Å; L250-W263 HydrophobicContact CB-CH2 4.28Å; L250-W263 WeakPolarHBondContact O-CZ2 3.5Å; L252-W263 HydrophobicContact CD1-CZ2 4.1Å; L252-W263 HydrophobicContact CD2-CH2 4.02Å; L252-W263 HydrophobicContact CD2-CZ2 3.77Å; L252-W263 HydrophobicContact CG-CZ2 3.92Å; W263-F352 HydrophobicContact CB-CD1 4.18Å; W263-F352 HydrophobicContact CE3-CB 4.03Å; W263-L353 WeakPolarHBondContact CA-O 3.25Å; W263-L353 VanDerWaalsContact CE3-C 3.45Å; W263-P354 HydrophobicContact CD2-CB 4.29Å; W263-P354 HydrophobicContact CE3-CB 4.22Å; W263-P354 HydrophobicContact CH2-CB 4.11Å; W263-P354 HydrophobicContact CH2-CG 4.19Å; W263-P354 HydrophobicContact CZ2-CB 4.16Å; W263-P354 HydrophobicContact CZ3-CB 4.15Å; W263-P354 HydrophobicContact CZ3-CG 4.16Å; W263-Y388 HydrophobicContact CH2-CD2 4.35Å; W263-Y388 HydrophobicContact CH2-CE2 4.11Å; W263-Y388 HydrophobicContact CZ3-CE2 4.45Å
264V95Very high91.2Very high0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans-135.5149.2-174.3-58.30000111.1R262 D268 Y269 F352 L353 M355 L361R262-V264 HydrophobicContact CG-CG1 3.85Å; V264-D268 WeakPolarHBondContact CA-OD2 3.41Å; V264-D268 HydrophobicContact CB-CB 4.22Å; V264-Y269 HydrophobicContact CB-CD1 4.01Å; V264-Y269 HydrophobicContact CB-CE1 4.33Å; V264-Y269 HydrophobicContact CG2-CD1 3.56Å; V264-Y269 HydrophobicContact CG2-CE1 3.53Å; V264-Y269 HydrophobicContact CG2-CG 4.48Å; V264-F352 CarbonylContact O-C 3.58Å; V264-F352 WeakPolarHBondContact O-CA 3.44Å; V264-L353 PolarHBondContact N-O 2.56Å; V264-L353 PolarHBondContact O-N 3.39Å; V264-M355 HydrophobicContact CG1-CB 3.98Å; V264-M355 HydrophobicContact CG1-CE 4.34Å; V264-M355 HydrophobicContact CG1-SD 3.94Å; V264-M355 HydrophobicContact CG2-CB 4Å; V264-M355 HydrophobicContact CG2-CE 3.8Å; V264-M355 HydrophobicContact CG2-SD 4.39Å; V264-L361 HydrophobicContact CG2-CD2 4.39Å
265R94.4Very high91.2Very high19 Ų1949.1 Ų49.17%0.07226%0.259CS..  trans-93.7158.2164.8-60.6-171.3-179.3-102.76.2110F243 S267 D268 Y269 D351 F352F243-R265 VanDerWaalsContact O-CZ 3.29Å; F243-R265 PolarHBondContact O-NH1 2.9Å; F243-R265 PolarHBondContact O-NH2 3.38Å; R265-S267 PolarHBondContact O-N 3.35Å; R265-S267 VanDerWaalsContact O-N 3.13Å; R265-D268 PolarHBondContact N-OD2 3.04Å; R265-D268 VanDerWaalsContact O-CB 3.31Å; R265-D268 WeakPolarHBondContact O-CB 3.46Å; R265-D268 PolarHBondContact O-N 3.48Å; R265-Y269 WeakPolarHBondContact O-CD1 3.35Å; R265-Y269 VanDerWaalsContact O-CE1 3.31Å; R265-Y269 WeakPolarHBondContact O-CE1 3.46Å; R265-D351 WeakPolarHBondContact CD-OD1 3.4Å; R265-D351 WeakPolarHBondContact CG-OD1 3.18Å; R265-D351 IonicContact CZ-OD1 3.12Å; R265-D351 IonicContact NE-OD1 2.88Å; R265-D351 IonicContact NH1-OD1 3.91Å; R265-D351 PolarHBondContact NH1-OD1 3.27Å; R265-F352 HydrophobicContact CG-CD1 3.72Å; R265-F352 HydrophobicContact CG-CE1 3.63Å; R265-F352 HydrophobicContact CG-CG 4.33Å; R265-F352 HydrophobicContact CG-CZ 4.19Å; R265-F352 VanDerWaalsContact CZ-CE2 3.49Å; R265-F352 VanDerWaalsContact NE-CZ 3.33Å
266P92.3Very high91.2Very high0 Ų044.8 Ų44.80%024%0.241CC..G310 helixtrans-48.2-40.7173.6-29.136.7000113.3D268 Y269 I270 P273 Y328 D351 L372P266-D268 PolarHBondContact O-N 2.9Å; P266-D268 VanDerWaalsContact O-N 3.12Å; P266-Y269 PolarHBondContact O-N 2.8Å; P266-I270 HydrophobicContact CB-CD1 4.49Å; P266-I270 WeakPolarHBondContact O-CB 3.05Å; P266-I270 PolarHBondContact O-N 3.18Å; P266-P273 HydrophobicContact CB-CB 3.99Å; P266-P273 HydrophobicContact CB-CG 3.81Å; P266-Y328 HydrophobicContact CB-CE2 4.26Å; P266-Y328 HydrophobicContact CG-CE2 4.47Å; P266-D351 VanDerWaalsContact CD-OD2 3.25Å; P266-D351 WeakPolarHBondContact CD-OD2 3.38Å; P266-D351 HydrophobicContact CG-CB 4.31Å; P266-L372 HydrophobicContact CB-CD1 3.92Å; P266-L372 HydrophobicContact CB-CD2 4.02Å; P266-L372 HydrophobicContact CG-CD1 3.64Å; P266-L372 HydrophobicContact CG-CD2 3.75Å; P266-L372 HydrophobicContact CG-CG 4.36Å
267S88.3Confident90.5Very high23 Ų2347.6 Ų47.616%0.16126%0.256CS..G310 helixtrans-61.8-1917855.70000114.7R265R265-S267 PolarHBondContact O-N 3.35Å; R265-S267 VanDerWaalsContact O-N 3.13Å
268D87.9Confident89.7Confident58 Ų5841.9 Ų41.931%0.3124%0.236SC..G310 helixtrans-83.2-19.9-176.8-59.1-26.7000113.1V264 R265 P266V264-D268 WeakPolarHBondContact CA-OD2 3.41Å; V264-D268 HydrophobicContact CB-CB 4.22Å; R265-D268 PolarHBondContact N-OD2 3.04Å; R265-D268 VanDerWaalsContact O-CB 3.31Å; R265-D268 WeakPolarHBondContact O-CB 3.46Å; R265-D268 PolarHBondContact O-N 3.48Å; P266-D268 PolarHBondContact O-N 2.9Å; P266-D268 VanDerWaalsContact O-N 3.12Å
269Y84.4Confident89.2Confident25 Ų2540.5 Ų40.510%0.09822%0.222CC..THydrogen-bonded Turntrans-143.8-9.6-171.273.4-80.8000115.4V264 R265 P266 M355 L361V264-Y269 HydrophobicContact CB-CD1 4.01Å; V264-Y269 HydrophobicContact CB-CE1 4.33Å; V264-Y269 HydrophobicContact CG2-CD1 3.56Å; V264-Y269 HydrophobicContact CG2-CE1 3.53Å; V264-Y269 HydrophobicContact CG2-CG 4.48Å; R265-Y269 WeakPolarHBondContact O-CD1 3.35Å; R265-Y269 VanDerWaalsContact O-CE1 3.31Å; R265-Y269 WeakPolarHBondContact O-CE1 3.46Å; P266-Y269 PolarHBondContact O-N 2.8Å; Y269-M355 HydrophobicContact CD1-CE 3.99Å; Y269-M355 HydrophobicContact CD2-CE 3.7Å; Y269-M355 HydrophobicContact CE2-CE 4.24Å; Y269-M355 HydrophobicContact CG-CE 3.57Å; Y269-L361 HydrophobicContact CE2-CD2 4.48Å
270I83.9Confident88.7Confident12 Ų1237.3 Ų37.36%0.06221%0.205CC..  trans-117124.2179.2-72.8163.4000110.3I84 P266 G272 P273 N370 L372I84-I270 WeakPolarHBondContact CD1-O 3.4Å; P266-I270 HydrophobicContact CB-CD1 4.49Å; P266-I270 WeakPolarHBondContact O-CB 3.05Å; P266-I270 PolarHBondContact O-N 3.18Å; I270-G272 PolarHBondContact O-N 3.39Å; I270-P273 HydrophobicContact CB-CG 4.22Å; I270-P273 HydrophobicContact CG2-CB 3.93Å; I270-P273 HydrophobicContact CG2-CG 3.73Å; I270-N370 HydrophobicContact CG2-CB 3.45Å; I270-N370 VanDerWaalsContact CG2-CB 3.45Å; I270-N370 WeakPolarHBondContact CG2-OD1 3.48Å; I270-L372 HydrophobicContact CD1-CD2 3.84Å
271S77.5Confident88.1Confident79 Ų7935.1 Ų35.155%0.55219%0.194SC*.SBendtrans-80.7109.3166.662.40000111.5N370S271-N370 PolarHBondContact O-ND2 3.43Å
272G82.6Confident87.4Confident45 Ų4533.9 Ų33.946%0.46418%0.18SC..SBendtrans73.165.2178.800000113.9I270I270-G272 PolarHBondContact O-N 3.39Å
273P89.5Confident86.8Confident14 Ų1430.2 Ų30.29%0.09117%0.166CC..  trans-59.1147.2-179.1-17.128.8000112.7P266 I270 Y328 L372P266-P273 HydrophobicContact CB-CB 3.99Å; P266-P273 HydrophobicContact CB-CG 3.81Å; I270-P273 HydrophobicContact CB-CG 4.22Å; I270-P273 HydrophobicContact CG2-CB 3.93Å; I270-P273 HydrophobicContact CG2-CG 3.73Å; P273-Y328 HydrophobicContact CB-CD1 4.35Å; P273-Y328 HydrophobicContact CB-CD2 3.87Å; P273-Y328 HydrophobicContact CB-CE1 4.15Å; P273-Y328 HydrophobicContact CB-CE2 3.69Å; P273-Y328 HydrophobicContact CB-CG 4.22Å; P273-Y328 HydrophobicContact CG-CE1 4.09Å; P273-Y328 HydrophobicContact CG-CE2 4.02Å; P273-L372 HydrophobicContact CB-CD1 3.9Å
274K89Confident86.4Confident113 Ų11328 Ų2849%0.49116%0.158SC..BIsolated β-bridgetrans-129.1137.1177.9-61.7-65.6179.9-176.30109L277 N370 E371 L372K274-L277 HydrophobicContact CB-CD2 3.96Å; K274-L277 HydrophobicContact CB-CG 3.87Å; K274-L277 HydrophobicContact CG-CD2 3.76Å; K274-L277 HydrophobicContact CG-CG 4.17Å; K274-N370 PolarHBondContact N-O 3.25Å; K274-N370 VanDerWaalsContact O-O 3.05Å; K274-E371 WeakPolarHBondContact O-CA 3.21Å; K274-L372 PolarHBondContact O-N 3.37Å
275M93.8Very high85.9Confident7 Ų728.6 Ų28.63%0.03416%0.162CC..SBendtrans-68.1-56.5177.6-169.959.8-165.600110.1I317 A326 Y334 L372 W373 L376M275-I317 HydrophobicContact CE-CB 4.05Å; M275-I317 HydrophobicContact CE-CD1 3.63Å; M275-I317 HydrophobicContact CE-CG1 4.38Å; M275-I317 HydrophobicContact CE-CG2 3.26Å; M275-A326 HydrophobicContact CE-CB 4.46Å; M275-A326 HydrophobicContact CG-CB 3.87Å; M275-Y334 HydrophobicContact CE-CD1 4.49Å; M275-Y334 HydrophobicContact CE-CE1 4.33Å; M275-Y334 HydrophobicContact SD-CD1 4.44Å; M275-Y334 HydrophobicContact SD-CE1 3.72Å; M275-L372 PolarHBondContact O-N 3.35Å; M275-L372 HydrophobicContact SD-CB 4.43Å; M275-W373 HydrophobicContact CE-CB 3.95Å; M275-W373 WeakPolarHBondContact O-CB 3.45Å; M275-W373 PolarHBondContact O-N 2.95Å; M275-W373 VanDerWaalsContact O-N 3.08Å; M275-L376 HydrophobicContact CE-CD1 3.9Å; M275-L376 HydrophobicContact SD-CD1 3.81Å
276I90.3Very high85.6Confident46 Ų4628.6 Ų28.624%0.23616%0.163CC..  trans-136119.5178.1-51.5-177.8000107.4I279 T314 A326 W373I276-I279 HydrophobicContact CG2-CG1 3.69Å; I276-T314 HydrophobicContact CD1-CG2 3.39Å; I276-A326 HydrophobicContact CD1-CB 4.17Å; I276-W373 HydrophobicContact CD1-CB 4.47Å; I276-W373 HydrophobicContact CG1-CB 3.91Å; I276-W373 HydrophobicContact CG1-CG 4.02Å
277L81.1Confident85.1Confident59 Ų5930.5 Ų30.531%0.30918%0.175SC..SBendtrans-89.5-46.1167.7-79.5177.5000110.5K274 N368 Q369 E371K274-L277 HydrophobicContact CB-CD2 3.96Å; K274-L277 HydrophobicContact CB-CG 3.87Å; K274-L277 HydrophobicContact CG-CD2 3.76Å; K274-L277 HydrophobicContact CG-CG 4.17Å; L277-N368 HydrophobicContact CD1-CB 4.16Å; L277-Q369 WeakPolarHBondContact CD1-O 3.47Å; L277-E371 WeakPolarHBondContact CA-OE1 3.42Å; L277-E371 HydrophobicContact CD1-CB 4.33Å; L277-E371 HydrophobicContact CG-CB 4.48Å; L277-E371 PolarHBondContact N-OE1 3.05Å
278A79Confident84.7Confident5 Ų531 Ų314%0.04118%0.176CC..  trans-157.8133.8179.400000109.9F14 F32 S280 E371F14-A278 HydrophobicContact CE1-CB 4.07Å; F14-A278 HydrophobicContact CZ-CB 4.36Å; F32-A278 HydrophobicContact CE1-CB 3.77Å; F32-A278 HydrophobicContact CZ-CB 3.65Å; A278-S280 PolarHBondContact O-N 2.56Å; A278-S280 VanDerWaalsContact O-N 3.11Å; A278-E371 PolarHBondContact N-OE1 2.77Å
279I84.8Confident84.3Confident42 Ų4228.9 Ų28.922%0.21517%0.165CC..  trans-82.993.9178.3-54.1160.9000107.4I276 A302 E305 I313 T314I276-I279 HydrophobicContact CG2-CG1 3.69Å; I279-A302 HydrophobicContact CG2-CB 3.79Å; I279-A302 WeakPolarHBondContact CG2-O 3.4Å; I279-E305 HydrophobicContact CD1-CG 4.09Å; I279-E305 VanDerWaalsContact CD1-OE1 3.24Å; I279-E305 WeakPolarHBondContact CD1-OE1 3.47Å; I279-E305 HydrophobicContact CG2-CB 4.41Å; I279-E305 HydrophobicContact CG2-CG 4.41Å; I279-I313 HydrophobicContact CG2-CG2 4.37Å; I279-T314 HydrophobicContact CD1-CG2 3.52Å; I279-T314 HydrophobicContact CG1-CG2 3.75Å
280S83.8Confident84.1Confident0 Ų031.1 Ų31.10%018%0.182CC..  trans-135.2130.6-176.1-1730000111.2E36 A278 F282 S283E36-S280 WeakPolarHBondContact OE1-CB 3.47Å; E36-S280 PolarHBondContact OE1-OG 2.76Å; A278-S280 PolarHBondContact O-N 2.56Å; A278-S280 VanDerWaalsContact O-N 3.11Å; S280-F282 PolarHBondContact O-N 3.49Å; S280-F282 PolarHBondContact OG-N 3.34Å; S280-S283 PolarHBondContact O-N 3.18Å; S280-S283 PolarHBondContact O-OG 3.35Å
281C84.7Confident84.3Confident0 Ų030.6 Ų30.60%018%0.179CC..THydrogen-bonded Turntrans-66.3-26.2173.766.30000112.3S283 I284 A299 Q303 L465 K479C281-S283 VanDerWaalsContact C-N 3.29Å; C281-S283 PolarHBondContact O-N 2.89Å; C281-I284 PolarHBondContact O-N 3.23Å; C281-A299 HydrophobicContact CB-CB 4.04Å; C281-A299 WeakPolarHBondContact CB-O 3.41Å; C281-Q303 HydrophobicContact CB-CB 4.06Å; C281-Q303 PolarHBondContact SG-OE1 2.96Å; C281-L465 HydrophobicContact CB-CD2 4.41Å; C281-K479 WeakPolarHBondContact O-CE 3.31Å
282F81.5Confident85Confident42 Ų4227.6 Ų27.618%0.18416%0.158CC..THydrogen-bonded Turntrans-75.3-17.4-179.2-54.7-58.4000113.2S280 N367 L465 V521S280-F282 PolarHBondContact O-N 3.49Å; S280-F282 PolarHBondContact OG-N 3.34Å; F282-N367 PolarHBondContact O-ND2 3.44Å; F282-N367 VanDerWaalsContact O-ND2 3.08Å; F282-L465 HydrophobicContact CE1-CD1 3.8Å; F282-L465 HydrophobicContact CZ-CD1 4.28Å; F282-V521 HydrophobicContact CD1-CG2 3.98Å; F282-V521 HydrophobicContact CE1-CG2 3.75Å
283S82.4Confident85.6Confident0 Ų025.7 Ų25.70%014%0.137CC..THydrogen-bonded Turntrans-80.9-25.7176.9720000112.7S280 C281 C285 S366 N367 N368S280-S283 PolarHBondContact O-N 3.18Å; S280-S283 PolarHBondContact O-OG 3.35Å; C281-S283 VanDerWaalsContact C-N 3.29Å; C281-S283 PolarHBondContact O-N 2.89Å; S283-C285 PolarHBondContact O-N 3.36Å; S283-C285 PolarHBondContact O-SG 2.95Å; S283-C285 VanDerWaalsContact O-SG 3.4Å; S283-S366 VanDerWaalsContact CB-OG 3.26Å; S283-S366 WeakPolarHBondContact CB-OG 3.42Å; S283-S366 CarbonylContact O-C 3.51Å; S283-S366 WeakPolarHBondContact O-CA 3.5Å; S283-S366 PolarHBondContact OG-OG 2.95Å; S283-N367 VanDerWaalsContact CA-OD1 3.23Å; S283-N367 WeakPolarHBondContact CA-OD1 3.49Å; S283-N367 WeakPolarHBondContact CB-OD1 3.16Å; S283-N367 PolarHBondContact O-N 3.33Å; S283-N368 WeakPolarHBondContact CB-ND2 3.47Å
284I87.7Confident85.8Confident0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-70.1121.9-177.4-52.1-178000110.8C281 V295 M298 A299 A302 W373 V374 K479 S483C281-I284 PolarHBondContact O-N 3.23Å; I284-V295 HydrophobicContact CG2-CG1 3.49Å; I284-V295 VanDerWaalsContact CG2-CG1 3.49Å; I284-M298 HydrophobicContact CD1-CB 3.95Å; I284-A299 VanDerWaalsContact CD1-CA 3.49Å; I284-A299 HydrophobicContact CD1-CB 4.04Å; I284-A302 HydrophobicContact CD1-CB 4.43Å; I284-W373 HydrophobicContact CD1-CH2 3.54Å; I284-W373 HydrophobicContact CD1-CZ2 4.12Å; I284-W373 HydrophobicContact CD1-CZ3 4.48Å; I284-W373 HydrophobicContact CG1-CH2 4.04Å; I284-W373 HydrophobicContact CG1-CZ2 4.13Å; I284-V374 HydrophobicContact CG1-CG2 4Å; I284-V374 HydrophobicContact CG2-CG1 4.02Å; I284-K479 PolarHBondContact O-NZ 2.91Å; I284-S483 PolarHBondContact O-OG 2.93Å; I284-S483 VanDerWaalsContact O-OG 3.05Å
285C85.3Confident86.1Confident12 Ų1219.7 Ų19.78%0.08111%0.11CC..EExtended strand (participates in β ladder)trans-126.1122.6178.6-60.80000110.8S283 C364 Y365S283-C285 PolarHBondContact O-N 3.36Å; S283-C285 PolarHBondContact O-SG 2.95Å; S283-C285 VanDerWaalsContact O-SG 3.4Å; C285-C364 WeakPolarHBondContact O-CA 3.35Å; C285-Y365 HydrophobicContact CB-CE1 4.33Å; C285-Y365 HydrophobicContact CB-CE2 4.41Å; C285-Y365 PolarHBondContact N-O 3.46Å; C285-Y365 PolarHBondContact O-N 3.48Å
286Q87.3Confident86.2Confident18 Ų1819.4 Ų19.48%0.08411%0.109CC..  trans-77.6142.1169.8-172.3176.1-7.400111V289 V295 P481 W482Q286-V289 HydrophobicContact CG-CG2 3.5Å; Q286-V289 VanDerWaalsContact CG-CG2 3.5Å; Q286-V289 PolarHBondContact NE2-O 3.33Å; Q286-V295 HydrophobicContact CB-CG1 4.17Å; Q286-V295 HydrophobicContact CB-CG2 4.35Å; Q286-V295 HydrophobicContact CG-CG2 4.18Å; Q286-P481 HydrophobicContact CB-CB 4.29Å; Q286-P481 WeakPolarHBondContact CB-O 3.45Å; Q286-P481 PolarHBondContact N-O 2.86Å; Q286-W482 VanDerWaalsContact OE1-CD1 3.31Å
287T83.3Confident86.5Confident41 Ų4117.2 Ų17.225%0.25210%0.098SC..  trans-119.2-124.7177.763.10000112.1V289 C363 Y365T287-V289 PolarHBondContact O-N 2.9Å; T287-V289 VanDerWaalsContact O-N 3.12Å; T287-C363 VanDerWaalsContact OG1-C 3.28Å; T287-C363 PolarHBondContact OG1-O 2.88Å; T287-Y365 HydrophobicContact CG2-CD1 3.53Å; T287-Y365 HydrophobicContact CG2-CE1 3.25Å
288V78.2Confident87.2Confident33 Ų3314.4 Ų14.420%0.28%0.083CC..SBendtrans-88.343.5-177.7-164.80000109.9K255 Q256 L259 L362K255-V288 HydrophobicContact CB-CG1 3.96Å; K255-V288 HydrophobicContact CD-CG1 3.43Å; K255-V288 VanDerWaalsContact CD-CG1 3.43Å; K255-V288 HydrophobicContact CG-CG1 3.47Å; K255-V288 VanDerWaalsContact CG-CG1 3.47Å; Q256-V288 HydrophobicContact CG-CB 4.3Å; Q256-V288 HydrophobicContact CG-CG1 4.18Å; Q256-V288 WeakPolarHBondContact CG-O 3.45Å; L259-V288 HydrophobicContact CD1-CG1 4.11Å; L259-V288 HydrophobicContact CD1-CG2 3.93Å; V288-L362 HydrophobicContact CG2-CD2 4.35Å
289V81Confident87.9Confident13 Ų1314.2 Ų14.28%0.0798%0.081CC..  trans-116.9143.6179.5-59.30000109.6Q286 T287 C364 E378 Y388Q286-V289 HydrophobicContact CG-CG2 3.5Å; Q286-V289 VanDerWaalsContact CG-CG2 3.5Å; Q286-V289 PolarHBondContact NE2-O 3.33Å; T287-V289 PolarHBondContact O-N 2.9Å; T287-V289 VanDerWaalsContact O-N 3.12Å; V289-C364 VanDerWaalsContact CG2-SG 3.52Å; V289-E378 WeakPolarHBondContact CG1-OE1 3.39Å; V289-E378 WeakPolarHBondContact CG2-OE1 3.34Å; V289-Y388 HydrophobicContact CG1-CD1 4.48Å
290T80.3Confident88.4Confident72 Ų7212.5 Ų12.544%0.4427%0.072SC..SBendtrans-81.7-34.1-172.738.70000112.6C292 F390T290-C292 PolarHBondContact O-N 2.96Å; T290-F390 PolarHBondContact OG1-O 3.49Å
291D87.9Confident88.9Confident2 Ų212.5 Ų12.51%0.0117%0.072CC..  trans-83.376.5-173.3-170.7-6000112.7S293 F294 V295 Y381 M382 F390 S393D291-S293 PolarHBondContact O-N 2.96Å; D291-S293 PolarHBondContact OD1-N 3.49Å; D291-S293 PolarHBondContact OD1-OG 3.04Å; D291-F294 HydrophobicContact CB-CB 4.46Å; D291-F294 VanDerWaalsContact CG-CB 3.49Å; D291-F294 WeakPolarHBondContact OD1-CB 3.48Å; D291-F294 PolarHBondContact OD1-N 3.44Å; D291-F294 WeakPolarHBondContact OD2-CB 3.09Å; D291-V295 WeakPolarHBondContact O-CG2 3.34Å; D291-Y381 WeakPolarHBondContact OD2-CE1 3.49Å; D291-M382 HydrophobicContact CB-CE 4.15Å; D291-M382 WeakPolarHBondContact OD2-CE 3.4Å; D291-F390 HydrophobicContact CB-CD1 4.19Å; D291-F390 WeakPolarHBondContact OD2-CE1 3.36Å; D291-S393 PolarHBondContact OD1-OG 2.83Å; D291-S393 PolarHBondContact OD2-OG 3.14Å
292C91.9Very high89.3Confident16 Ų1612.5 Ų12.511%0.1087%0.072CC..Hα-helixtrans-63.7-29.5175.462.70000113.2T290 V295 A296 H460 A461 P481T290-C292 PolarHBondContact O-N 2.96Å; C292-V295 PolarHBondContact O-N 2.78Å; C292-A296 WeakPolarHBondContact O-CB 3.43Å; C292-A296 PolarHBondContact O-N 3.38Å; C292-H460 WeakPolarHBondContact CB-CE1 3.33Å; C292-H460 WeakPolarHBondContact CB-ND1 3.3Å; C292-H460 PolarHBondContact SG-ND1 3.01Å; C292-H460 VanDerWaalsContact SG-ND1 3.41Å; C292-A461 PolarHBondContact SG-N 3.49Å; C292-P481 HydrophobicContact CB-CG 4.25Å
293S93.9Very high89.8Confident4 Ų411.2 Ų11.23%0.0287%0.067CC..Hα-helixtrans-68.3-38.4-176.149.20000111.4D291 S297 S393 S395 D398D291-S293 PolarHBondContact O-N 2.96Å; D291-S293 PolarHBondContact OD1-N 3.49Å; D291-S293 PolarHBondContact OD1-OG 3.04Å; S293-S297 WeakPolarHBondContact O-CB 3.47Å; S293-S297 PolarHBondContact O-N 2.92Å; S293-S297 PolarHBondContact O-OG 3.42Å; S293-S393 VanDerWaalsContact OG-C 3.25Å; S293-S393 PolarHBondContact OG-O 3.4Å; S293-S393 PolarHBondContact OG-OG 3.5Å; S293-S395 VanDerWaalsContact CA-OG 3.29Å; S293-S395 WeakPolarHBondContact CA-OG 3.19Å; S293-S395 WeakPolarHBondContact CB-OG 3.17Å; S293-S395 PolarHBondContact O-OG 3.25Å; S293-D398 WeakPolarHBondContact CB-OD2 3.15Å; S293-D398 PolarHBondContact OG-OD2 3.16Å
294F95.5Very high90.3Very high1 Ų111.8 Ų11.80%0.0047%0.069CC..Hα-helixtrans-65.8-39.9174-178.6-98.1000112D291 S297 M298 E378 Y381 D398 L402D291-F294 HydrophobicContact CB-CB 4.46Å; D291-F294 VanDerWaalsContact CG-CB 3.49Å; D291-F294 WeakPolarHBondContact OD1-CB 3.48Å; D291-F294 PolarHBondContact OD1-N 3.44Å; D291-F294 WeakPolarHBondContact OD2-CB 3.09Å; F294-S297 VanDerWaalsContact O-CB 3.3Å; F294-S297 WeakPolarHBondContact O-CB 3.46Å; F294-S297 PolarHBondContact O-N 3.09Å; F294-M298 HydrophobicContact CD1-CE 3.84Å; F294-M298 HydrophobicContact CD1-CG 4.29Å; F294-M298 HydrophobicContact CD1-SD 4.25Å; F294-M298 HydrophobicContact CE1-CE 3.6Å; F294-M298 HydrophobicContact CE1-CG 3.78Å; F294-M298 HydrophobicContact CE1-SD 3.48Å; F294-M298 WeakPolarHBondContact CE1-SD 3.46Å; F294-M298 HydrophobicContact CZ-CG 4.01Å; F294-M298 HydrophobicContact CZ-SD 4.02Å; F294-M298 PolarHBondContact O-N 3.37Å; F294-E378 HydrophobicContact CD1-CB 4.49Å; F294-E378 HydrophobicContact CD1-CG 4.41Å; F294-E378 VanDerWaalsContact CE1-CA 3.5Å; F294-E378 HydrophobicContact CE1-CB 3.97Å; F294-E378 HydrophobicContact CE1-CG 4.35Å; F294-Y381 HydrophobicContact CB-CD1 4.16Å; F294-Y381 HydrophobicContact CB-CE1 4.07Å; F294-Y381 HydrophobicContact CD1-CD1 4.18Å; F294-Y381 AromaticContact CD2-CD1 3.25Å; F294-Y381 HydrophobicContact CD2-CD1 3.25Å; F294-Y381 AromaticContact CD2-CD2 3.74Å; F294-Y381 HydrophobicContact CD2-CD2 3.74Å; F294-Y381 AromaticContact CD2-CE1 3.51Å; F294-Y381 HydrophobicContact CD2-CE1 3.51Å; F294-Y381 AromaticContact CD2-CE2 3.96Å; F294-Y381 HydrophobicContact CD2-CE2 3.96Å; F294-Y381 AromaticContact CD2-CG 3.41Å; F294-Y381 HydrophobicContact CD2-CG 3.41Å; F294-Y381 VanDerWaalsContact CD2-CG 3.41Å; F294-Y381 AromaticContact CD2-CZ 3.87Å; F294-Y381 HydrophobicContact CE1-CD1 4.47Å; F294-Y381 HydrophobicContact CE1-CG 4.39Å; F294-Y381 VanDerWaalsContact CE2-CB 3.46Å; F294-Y381 AromaticContact CE2-CD1 3.59Å; F294-Y381 HydrophobicContact CE2-CD1 3.59Å; F294-Y381 AromaticContact CE2-CD2 3.43Å; F294-Y381 HydrophobicContact CE2-CD2 3.43Å; F294-Y381 VanDerWaalsContact CE2-CD2 3.43Å; F294-Y381 HydrophobicContact CE2-CE1 4.2Å; F294-Y381 HydrophobicContact CE2-CE2 4.05Å; F294-Y381 AromaticContact CE2-CG 3.19Å; F294-Y381 HydrophobicContact CE2-CG 3.19Å; F294-Y381 AromaticContact CG-CD1 3.59Å; F294-Y381 HydrophobicContact CG-CD1 3.59Å; F294-Y381 AromaticContact CG-CE1 3.92Å; F294-Y381 HydrophobicContact CG-CE1 3.92Å; F294-Y381 HydrophobicContact CG-CG 4.1Å; F294-Y381 VanDerWaalsContact CZ-CB 3.44Å; F294-Y381 HydrophobicContact CZ-CD1 4.2Å; F294-Y381 HydrophobicContact CZ-CD2 4.29Å; F294-Y381 AromaticContact CZ-CG 3.75Å; F294-Y381 HydrophobicContact CZ-CG 3.75Å; F294-D398 HydrophobicContact CB-CB 4.32Å; F294-D398 HydrophobicContact CD2-CB 4.07Å; F294-D398 PolarHBondContact N-OD2 2.78Å; F294-L402 HydrophobicContact CD2-CD1 4.23Å; F294-L402 HydrophobicContact CD2-CG 4.5Å; F294-L402 HydrophobicContact CE2-CD1 3.74Å; F294-L402 HydrophobicContact CE2-CD2 3.63Å; F294-L402 HydrophobicContact CE2-CG 3.72Å; F294-L402 HydrophobicContact CZ-CD1 4.25Å; F294-L402 HydrophobicContact CZ-CD2 3.84Å; F294-L402 HydrophobicContact CZ-CG 4.37Å
295V94.9Very high90.6Very high1 Ų112.4 Ų12.41%0.0067%0.072CC..Hα-helixtrans-66.8-43.7178.4-171.40000111.7I284 Q286 D291 C292 S297 M298 A299 C364 P481I284-V295 HydrophobicContact CG2-CG1 3.49Å; I284-V295 VanDerWaalsContact CG2-CG1 3.49Å; Q286-V295 HydrophobicContact CB-CG1 4.17Å; Q286-V295 HydrophobicContact CB-CG2 4.35Å; Q286-V295 HydrophobicContact CG-CG2 4.18Å; D291-V295 WeakPolarHBondContact O-CG2 3.34Å; C292-V295 PolarHBondContact O-N 2.78Å; V295-S297 PolarHBondContact O-N 3.36Å; V295-M298 HydrophobicContact CG1-CE 4.44Å; V295-M298 HydrophobicContact CG2-CE 4.42Å; V295-M298 PolarHBondContact O-N 2.84Å; V295-A299 PolarHBondContact O-N 2.92Å; V295-C364 WeakPolarHBondContact CG2-SG 3.49Å; V295-P481 HydrophobicContact CB-CB 4.03Å; V295-P481 HydrophobicContact CG1-CB 3.83Å
296A96Very high90.7Very high1 Ų112.4 Ų12.41%0.0087%0.071CC..Hα-helixtrans-60.1-38.817300000111.2C292 A299 I300 T440 A461 A463C292-A296 WeakPolarHBondContact O-CB 3.43Å; C292-A296 PolarHBondContact O-N 3.38Å; A296-A299 WeakPolarHBondContact O-CB 3.46Å; A296-A299 PolarHBondContact O-N 3.45Å; A296-I300 WeakPolarHBondContact O-CD1 3.39Å; A296-I300 WeakPolarHBondContact O-CG1 3.27Å; A296-I300 PolarHBondContact O-N 2.93Å; A296-T440 HydrophobicContact CB-CG2 3.93Å; A296-A461 HydrophobicContact CB-CB 4.21Å; A296-A463 HydrophobicContact CB-CB 4.37Å
297S96.6Very high90.7Very high0 Ų012.6 Ų12.60%07%0.071CC..Hα-helixtrans-62.7-46.2176.5-58.80000112.4S293 F294 V295 A299 I300 A301 S395 D398 L399S293-S297 WeakPolarHBondContact O-CB 3.47Å; S293-S297 PolarHBondContact O-N 2.92Å; S293-S297 PolarHBondContact O-OG 3.42Å; F294-S297 VanDerWaalsContact O-CB 3.3Å; F294-S297 WeakPolarHBondContact O-CB 3.46Å; F294-S297 PolarHBondContact O-N 3.09Å; V295-S297 PolarHBondContact O-N 3.36Å; S297-A299 VanDerWaalsContact C-N 3.31Å; S297-A299 PolarHBondContact O-N 2.87Å; S297-I300 PolarHBondContact O-N 3.47Å; S297-A301 WeakPolarHBondContact O-CB 3.49Å; S297-A301 PolarHBondContact O-N 3.03Å; S297-S395 PolarHBondContact OG-O 2.94Å; S297-D398 WeakPolarHBondContact OG-CB 3.47Å; S297-L399 WeakPolarHBondContact O-CD2 3.25Å
298M94.9Very high91Very high0 Ų011.4 Ų11.40%06%0.062CC..Hα-helixtrans-59.5-42173.2-71.5-167.2-68.900111.9I284 F294 V295 I300 A301 A302 V374 L377 E378 L402I284-M298 HydrophobicContact CD1-CB 3.95Å; F294-M298 HydrophobicContact CD1-CE 3.84Å; F294-M298 HydrophobicContact CD1-CG 4.29Å; F294-M298 HydrophobicContact CD1-SD 4.25Å; F294-M298 HydrophobicContact CE1-CE 3.6Å; F294-M298 HydrophobicContact CE1-CG 3.78Å; F294-M298 HydrophobicContact CE1-SD 3.48Å; F294-M298 WeakPolarHBondContact CE1-SD 3.46Å; F294-M298 HydrophobicContact CZ-CG 4.01Å; F294-M298 HydrophobicContact CZ-SD 4.02Å; F294-M298 PolarHBondContact O-N 3.37Å; V295-M298 HydrophobicContact CG1-CE 4.44Å; V295-M298 HydrophobicContact CG2-CE 4.42Å; V295-M298 PolarHBondContact O-N 2.84Å; M298-I300 PolarHBondContact O-N 3.06Å; M298-A301 PolarHBondContact O-N 3.31Å; M298-A302 VanDerWaalsContact O-CB 3.3Å; M298-A302 WeakPolarHBondContact O-CB 3.37Å; M298-A302 PolarHBondContact O-N 2.92Å; M298-V374 HydrophobicContact CE-CG1 3.99Å; M298-L377 HydrophobicContact SD-CB 3.93Å; M298-L377 HydrophobicContact SD-CD1 4.33Å; M298-E378 HydrophobicContact CE-CB 4.48Å; M298-L402 HydrophobicContact CG-CD1 4.05Å
299A93.3Very high91.5Very high1 Ų113.2 Ų13.21%0.0087%0.067CC..Hα-helixtrans-61.2-44.1179.100000111.9C281 I284 V295 A296 S297 Q303 A463C281-A299 HydrophobicContact CB-CB 4.04Å; C281-A299 WeakPolarHBondContact CB-O 3.41Å; I284-A299 VanDerWaalsContact CD1-CA 3.49Å; I284-A299 HydrophobicContact CD1-CB 4.04Å; V295-A299 PolarHBondContact O-N 2.92Å; A296-A299 WeakPolarHBondContact O-CB 3.46Å; A296-A299 PolarHBondContact O-N 3.45Å; S297-A299 VanDerWaalsContact C-N 3.31Å; S297-A299 PolarHBondContact O-N 2.87Å; A299-Q303 WeakPolarHBondContact O-CB 3.39Å; A299-Q303 PolarHBondContact O-N 2.6Å; A299-A463 HydrophobicContact CB-CB 4.29Å
300I95.2Very high92Very high5 Ų517.7 Ų17.73%0.0269%0.085CC..Hα-helixtrans-69.3-42.9178.1-65.7155.4000111.3A296 S297 M298 A302 Q303 Y304 L438 V439 T440 A463A296-I300 WeakPolarHBondContact O-CD1 3.39Å; A296-I300 WeakPolarHBondContact O-CG1 3.27Å; A296-I300 PolarHBondContact O-N 2.93Å; S297-I300 PolarHBondContact O-N 3.47Å; M298-I300 PolarHBondContact O-N 3.06Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.44Å; I300-Q303 PolarHBondContact O-N 3.16Å; I300-Y304 WeakPolarHBondContact O-CB 3.24Å; I300-Y304 PolarHBondContact O-N 3.33Å; I300-L438 HydrophobicContact CG2-CB 3.67Å; I300-L438 HydrophobicContact CG2-CD2 3.81Å; I300-L438 HydrophobicContact CG2-CG 4.23Å; I300-V439 WeakPolarHBondContact CD1-O 3.3Å; I300-T440 HydrophobicContact CD1-CG2 3.09Å; I300-A463 HydrophobicContact CD1-CB 3.89Å; I300-A463 HydrophobicContact CG1-CB 3.54Å
301A95.5Very high92.5Very high0 Ų019.2 Ų19.20%09%0.086CC..Hα-helixtrans-63.3-39.6179.200000111.6S297 M298 Y304 E305 L312 I313S297-A301 WeakPolarHBondContact O-CB 3.49Å; S297-A301 PolarHBondContact O-N 3.03Å; M298-A301 PolarHBondContact O-N 3.31Å; A301-Y304 PolarHBondContact O-N 2.85Å; A301-E305 WeakPolarHBondContact O-CB 3.36Å; A301-E305 PolarHBondContact O-N 3.09Å; A301-L312 HydrophobicContact CB-CD2 4.29Å; A301-I313 HydrophobicContact CB-CB 3.87Å; A301-I313 HydrophobicContact CB-CD1 4.08Å; A301-I313 HydrophobicContact CB-CG1 4.13Å
302A92.7Very high92.7Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-63.7-44.8172.700000112.1I279 I284 M298 I300 Y304 E305 R306 I313 W373I279-A302 HydrophobicContact CG2-CB 3.79Å; I279-A302 WeakPolarHBondContact CG2-O 3.4Å; I284-A302 HydrophobicContact CD1-CB 4.43Å; M298-A302 VanDerWaalsContact O-CB 3.3Å; M298-A302 WeakPolarHBondContact O-CB 3.37Å; M298-A302 PolarHBondContact O-N 2.92Å; I300-A302 VanDerWaalsContact C-N 3.31Å; I300-A302 PolarHBondContact O-N 3.44Å; A302-Y304 VanDerWaalsContact C-N 3.33Å; A302-Y304 PolarHBondContact O-N 2.85Å; A302-E305 PolarHBondContact O-N 3.39Å; A302-R306 WeakPolarHBondContact O-CB 3.18Å; A302-R306 PolarHBondContact O-N 3.43Å; A302-R306 VanDerWaalsContact O-N 3.11Å; A302-I313 HydrophobicContact CB-CG2 4.36Å; A302-W373 HydrophobicContact CB-CH2 3.94Å; A302-W373 HydrophobicContact CB-CZ2 4.42Å
303Q91.6Very high92.7Very high15 Ų1519.3 Ų19.37%0.079%0.085CC..Hα-helixtrans-63.4-40.1177-173.862.67.900112C281 A299 I300 R306 R307 L465C281-Q303 HydrophobicContact CB-CB 4.06Å; C281-Q303 PolarHBondContact SG-OE1 2.96Å; A299-Q303 WeakPolarHBondContact O-CB 3.39Å; A299-Q303 PolarHBondContact O-N 2.6Å; I300-Q303 PolarHBondContact O-N 3.16Å; Q303-R306 PolarHBondContact O-N 3.33Å; Q303-R307 VanDerWaalsContact O-CB 3.31Å; Q303-R307 WeakPolarHBondContact O-CB 3.24Å; Q303-R307 PolarHBondContact O-N 2.97Å; Q303-L465 HydrophobicContact CB-CD2 4.44Å; Q303-L465 HydrophobicContact CG-CD2 4.3Å
304Y94.2Very high92.6Very high13 Ų1319.4 Ų19.45%0.0519%0.086CC..Hα-helixtrans-61.2-52.3176.1177.8-86.3000111.6I300 A301 A302 R306 R307 F308 K310 L312 W405 G435 L438I300-Y304 WeakPolarHBondContact O-CB 3.24Å; I300-Y304 PolarHBondContact O-N 3.33Å; A301-Y304 PolarHBondContact O-N 2.85Å; A302-Y304 VanDerWaalsContact C-N 3.33Å; A302-Y304 PolarHBondContact O-N 2.85Å; Y304-R306 PolarHBondContact O-N 2.66Å; Y304-R307 PolarHBondContact O-N 3.26Å; Y304-R307 VanDerWaalsContact O-N 3.16Å; Y304-F308 HydrophobicContact CD1-CD2 4.48Å; Y304-F308 AromaticContact CD2-CD2 3.44Å; Y304-F308 HydrophobicContact CD2-CD2 3.44Å; Y304-F308 VanDerWaalsContact CD2-CD2 3.44Å; Y304-F308 AromaticContact CD2-CE2 3.8Å; Y304-F308 HydrophobicContact CD2-CE2 3.8Å; Y304-F308 HydrophobicContact CD2-CG 4.46Å; Y304-F308 HydrophobicContact CE1-CB 4.34Å; Y304-F308 HydrophobicContact CE1-CD2 4.48Å; Y304-F308 AromaticContact CE2-CD2 3.44Å; Y304-F308 HydrophobicContact CE2-CD2 3.44Å; Y304-F308 VanDerWaalsContact CE2-CD2 3.44Å; Y304-F308 AromaticContact CE2-CE2 3.86Å; Y304-F308 HydrophobicContact CE2-CE2 3.86Å; Y304-F308 HydrophobicContact CE2-CG 4.12Å; Y304-F308 AromaticContact CG-CD2 4Å; Y304-F308 HydrophobicContact CG-CD2 4Å; Y304-F308 AromaticContact CZ-CD2 3.99Å; Y304-F308 WeakPolarHBondContact O-CD2 3.49Å; Y304-F308 PolarHBondContact O-N 3.28Å; Y304-K310 HydrophobicContact CE1-CB 3.94Å; Y304-K310 HydrophobicContact CE1-CD 4.25Å; Y304-L312 HydrophobicContact CD1-CB 4.06Å; Y304-L312 HydrophobicContact CD1-CD2 3.44Å; Y304-L312 VanDerWaalsContact CD1-CD2 3.44Å; Y304-L312 HydrophobicContact CD1-CG 4.34Å; Y304-L312 HydrophobicContact CE1-CD2 4.02Å; Y304-L312 HydrophobicContact CG-CD2 3.89Å; Y304-W405 HydrophobicContact CD2-CH2 4.17Å; Y304-W405 HydrophobicContact CE1-CH2 4.18Å; Y304-W405 HydrophobicContact CE1-CZ2 4.09Å; Y304-W405 AromaticContact CE2-CH2 3.46Å; Y304-W405 HydrophobicContact CE2-CH2 3.46Å; Y304-W405 VanDerWaalsContact CE2-CH2 3.46Å; Y304-W405 HydrophobicContact CE2-CZ2 4.2Å; Y304-W405 HydrophobicContact CE2-CZ3 4.32Å; Y304-W405 AromaticContact CZ-CH2 3.46Å; Y304-W405 VanDerWaalsContact CZ-CH2 3.46Å; Y304-W405 AromaticContact CZ-CZ2 3.74Å; Y304-W405 WeakPolarHBondContact OH-CH2 3.4Å; Y304-G435 VanDerWaalsContact CE2-O 3.29Å; Y304-G435 WeakPolarHBondContact CE2-O 3.32Å; Y304-G435 PolarHBondContact OH-O 2.8Å; Y304-G435 VanDerWaalsContact OH-O 3.04Å; Y304-L438 HydrophobicContact CD2-CD2 3.48Å; Y304-L438 VanDerWaalsContact CD2-CD2 3.48Å; Y304-L438 HydrophobicContact CE2-CD2 4.33Å; Y304-L438 HydrophobicContact CG-CD2 3.64Å
305E93Very high92.5Very high12 Ų1221.9 Ų21.96%0.05610%0.099CC..Hα-helixtrans-57.3-40.5-178.8173.2161.3168.400111.3I279 A301 A302 K309 K310 K311 L312 I313 T314I279-E305 HydrophobicContact CD1-CG 4.09Å; I279-E305 VanDerWaalsContact CD1-OE1 3.24Å; I279-E305 WeakPolarHBondContact CD1-OE1 3.47Å; I279-E305 HydrophobicContact CG2-CB 4.41Å; I279-E305 HydrophobicContact CG2-CG 4.41Å; A301-E305 WeakPolarHBondContact O-CB 3.36Å; A301-E305 PolarHBondContact O-N 3.09Å; A302-E305 PolarHBondContact O-N 3.39Å; E305-K309 WeakPolarHBondContact O-CA 3.22Å; E305-K309 PolarHBondContact O-N 3.31Å; E305-K310 VanDerWaalsContact CA-O 3.28Å; E305-K310 WeakPolarHBondContact CA-O 3.38Å; E305-K310 WeakPolarHBondContact CB-O 3.39Å; E305-K310 VanDerWaalsContact CG-O 3.31Å; E305-K310 WeakPolarHBondContact CG-O 3.48Å; E305-K310 PolarHBondContact O-N 3.21Å; E305-K311 VanDerWaalsContact CD-CA 3.47Å; E305-K311 WeakPolarHBondContact OE2-CA 3.12Å; E305-L312 HydrophobicContact CB-CB 4.46Å; E305-L312 PolarHBondContact OE2-N 2.52Å; E305-I313 WeakPolarHBondContact OE2-CG2 3.2Å; E305-I313 PolarHBondContact OE2-N 2.84Å; E305-T314 WeakPolarHBondContact OE1-CB 3.43Å; E305-T314 WeakPolarHBondContact OE1-CG2 3.46Å; E305-T314 PolarHBondContact OE1-OG1 3.08Å; E305-T314 PolarHBondContact OE2-N 3.28Å; E305-T314 PolarHBondContact OE2-OG1 3.45Å
306R86.7Confident92.6Very high13 Ų1322.2 Ų22.25%0.04910%0.101CC..Hα-helixtrans-66-49.3175-178.2-176.3175.7168.811.5113.1E36 Q39 A302 Q303 Y304E36-R306 VanDerWaalsContact CD-NH1 3.31Å; E36-R306 PolarHBondContact O-NH2 3.11Å; E36-R306 IonicContact OE1-NH1 3.15Å; E36-R306 PolarHBondContact OE1-NH1 2.96Å; E36-R306 IonicContact OE2-CZ 3.16Å; E36-R306 IonicContact OE2-NE 3.47Å; E36-R306 IonicContact OE2-NH1 2.74Å; E36-R306 PolarHBondContact OE2-NH1 3.38Å; E36-R306 IonicContact OE2-NH2 2.75Å; E36-R306 PolarHBondContact OE2-NH2 2.86Å; E36-R306 VanDerWaalsContact OE2-NH2 3.15Å; Q39-R306 VanDerWaalsContact CG-CZ 3.46Å; A302-R306 WeakPolarHBondContact O-CB 3.18Å; A302-R306 PolarHBondContact O-N 3.43Å; A302-R306 VanDerWaalsContact O-N 3.11Å; Q303-R306 PolarHBondContact O-N 3.33Å; Y304-R306 PolarHBondContact O-N 2.66Å
307R87.6Confident92.6Very high22 Ų2222.2 Ų22.28%0.08310%0.101CC..Hα-helixtrans-67.2-38.2-175.6-175.7173.7-171.3164.45.5112.1E46 Q303 Y304 H433 D466E46-R307 IonicContact OE1-NH2 3.7Å; E46-R307 PolarHBondContact OE1-NH2 3.38Å; E46-R307 IonicContact OE2-CZ 3.73Å; E46-R307 IonicContact OE2-NE 3.23Å; E46-R307 PolarHBondContact OE2-NE 2.99Å; E46-R307 VanDerWaalsContact OE2-NE 3.12Å; E46-R307 IonicContact OE2-NH2 2.78Å; E46-R307 PolarHBondContact OE2-NH2 3.28Å; Q303-R307 VanDerWaalsContact O-CB 3.31Å; Q303-R307 WeakPolarHBondContact O-CB 3.24Å; Q303-R307 PolarHBondContact O-N 2.97Å; Y304-R307 PolarHBondContact O-N 3.26Å; Y304-R307 VanDerWaalsContact O-N 3.16Å; R307-H433 PolarHBondContact NH2-ND1 2.98Å; R307-D466 IonicContact CZ-OD1 2.84Å; R307-D466 IonicContact NH1-OD1 2.83Å; R307-D466 PolarHBondContact NH1-OD1 2.9Å; R307-D466 IonicContact NH2-OD1 3.29Å; R307-D466 PolarHBondContact NH2-OD1 3.26Å
308F90.4Very high92.7Very high16 Ų1623.1 Ų23.17%0.0710%0.104CC..Hα-helixtrans-107.6-3.3-172.7-65.4-74.7000114.6Y304 K310 H433 G435Y304-F308 HydrophobicContact CD1-CD2 4.48Å; Y304-F308 AromaticContact CD2-CD2 3.44Å; Y304-F308 HydrophobicContact CD2-CD2 3.44Å; Y304-F308 VanDerWaalsContact CD2-CD2 3.44Å; Y304-F308 AromaticContact CD2-CE2 3.8Å; Y304-F308 HydrophobicContact CD2-CE2 3.8Å; Y304-F308 HydrophobicContact CD2-CG 4.46Å; Y304-F308 HydrophobicContact CE1-CB 4.34Å; Y304-F308 HydrophobicContact CE1-CD2 4.48Å; Y304-F308 AromaticContact CE2-CD2 3.44Å; Y304-F308 HydrophobicContact CE2-CD2 3.44Å; Y304-F308 VanDerWaalsContact CE2-CD2 3.44Å; Y304-F308 AromaticContact CE2-CE2 3.86Å; Y304-F308 HydrophobicContact CE2-CE2 3.86Å; Y304-F308 HydrophobicContact CE2-CG 4.12Å; Y304-F308 AromaticContact CG-CD2 4Å; Y304-F308 HydrophobicContact CG-CD2 4Å; Y304-F308 AromaticContact CZ-CD2 3.99Å; Y304-F308 WeakPolarHBondContact O-CD2 3.49Å; Y304-F308 PolarHBondContact O-N 3.28Å; F308-K310 HydrophobicContact CB-CD 4.49Å; F308-K310 HydrophobicContact CB-CG 4.45Å; F308-K310 PolarHBondContact O-N 3.5Å; F308-H433 WeakPolarHBondContact CE1-O 3.26Å; F308-G435 VanDerWaalsContact CE2-CA 3.47Å
309K88.7Confident92.7Very high70 Ų7023.6 Ų23.630%0.30411%0.107SC..THydrogen-bonded Turntrans55.836.1-177.7-62.8-65.8-172167.70113.2A2 L7 D10 E305A2-K309 HydrophobicContact CB-CB 4.04Å; A2-K309 HydrophobicContact CB-CG 3.66Å; L7-K309 HydrophobicContact CD2-CG 4.44Å; D10-K309 IonicContact OD1-NZ 3.2Å; D10-K309 PolarHBondContact OD1-NZ 3.28Å; D10-K309 IonicContact OD2-NZ 2.78Å; D10-K309 PolarHBondContact OD2-NZ 2.79Å; E305-K309 WeakPolarHBondContact O-CA 3.22Å; E305-K309 PolarHBondContact O-N 3.31Å
310K91Very high92.7Very high108 Ų10825.9 Ų25.947%0.4712%0.118SC..  trans-118.2116.9178.6-71.5-179179.6-175.50109.5Y304 E305 F308 L312Y304-K310 HydrophobicContact CE1-CB 3.94Å; Y304-K310 HydrophobicContact CE1-CD 4.25Å; E305-K310 VanDerWaalsContact CA-O 3.28Å; E305-K310 WeakPolarHBondContact CA-O 3.38Å; E305-K310 WeakPolarHBondContact CB-O 3.39Å; E305-K310 VanDerWaalsContact CG-O 3.31Å; E305-K310 WeakPolarHBondContact CG-O 3.48Å; E305-K310 PolarHBondContact O-N 3.21Å; F308-K310 HydrophobicContact CB-CD 4.49Å; F308-K310 HydrophobicContact CB-CG 4.45Å; F308-K310 PolarHBondContact O-N 3.5Å; K310-L312 PolarHBondContact O-N 3.11Å
311K90.6Very high92.4Very high103 Ų10326.7 Ų26.745%0.44813%0.128SC..  trans-64.4105.2-179.1-60.5-176.9177.7177.10110.9E305 N315 N323 G324E305-K311 VanDerWaalsContact CD-CA 3.47Å; E305-K311 WeakPolarHBondContact OE2-CA 3.12Å; K311-N315 HydrophobicContact CB-CB 3.74Å; K311-N315 HydrophobicContact CD-CB 4.23Å; K311-N323 PolarHBondContact NZ-O 3.04Å; K311-N323 VanDerWaalsContact NZ-O 3.09Å; K311-G324 PolarHBondContact NZ-O 3.25Å
312L92Very high91.8Very high20 Ų2034 Ų3411%0.10517%0.165CC..SBendtrans-115.3-39.6-175.1-172.163.9000111.7A301 Y304 E305 K310 T403 W405 L438A301-L312 HydrophobicContact CB-CD2 4.29Å; Y304-L312 HydrophobicContact CD1-CB 4.06Å; Y304-L312 HydrophobicContact CD1-CD2 3.44Å; Y304-L312 VanDerWaalsContact CD1-CD2 3.44Å; Y304-L312 HydrophobicContact CD1-CG 4.34Å; Y304-L312 HydrophobicContact CE1-CD2 4.02Å; Y304-L312 HydrophobicContact CG-CD2 3.89Å; E305-L312 HydrophobicContact CB-CB 4.46Å; E305-L312 PolarHBondContact OE2-N 2.52Å; K310-L312 PolarHBondContact O-N 3.11Å; L312-T403 HydrophobicContact CD1-CG2 3.86Å; L312-T403 HydrophobicContact CD2-CG2 3.95Å; L312-T403 HydrophobicContact CG-CG2 3.72Å; L312-W405 HydrophobicContact CD1-CZ2 4.25Å; L312-W405 HydrophobicContact CD2-CZ2 4.3Å; L312-L438 HydrophobicContact CD2-CD1 3.8Å; L312-L438 HydrophobicContact CD2-CD2 4.15Å
313I92.4Very high91.3Very high0 Ų040 Ų400%020%0.197CC..SBendtrans-110.4-23.3-176.2-163.558.1000112.7I279 A301 A302 E305 V316 W373 L377 L402I279-I313 HydrophobicContact CG2-CG2 4.37Å; A301-I313 HydrophobicContact CB-CB 3.87Å; A301-I313 HydrophobicContact CB-CD1 4.08Å; A301-I313 HydrophobicContact CB-CG1 4.13Å; A302-I313 HydrophobicContact CB-CG2 4.36Å; E305-I313 WeakPolarHBondContact OE2-CG2 3.2Å; E305-I313 PolarHBondContact OE2-N 2.84Å; I313-V316 VanDerWaalsContact O-CG2 3.29Å; I313-V316 WeakPolarHBondContact O-CG2 3.24Å; I313-W373 HydrophobicContact CG1-CZ3 4.02Å; I313-L377 HydrophobicContact CD1-CD1 3.64Å; I313-L377 HydrophobicContact CG1-CD1 3.62Å; I313-L402 HydrophobicContact CD1-CB 4.27Å; I313-L402 HydrophobicContact CD1-CD1 4.04Å; I313-L402 HydrophobicContact CD1-CD2 3.78Å; I313-L402 HydrophobicContact CD1-CG 4.26Å
314T92.7Very high91.2Very high7 Ų740.1 Ų40.14%0.04320%0.203CC..SBendtrans-89.5-34-176.966.10000113.3I276 I279 E305 V316 I317I276-T314 HydrophobicContact CD1-CG2 3.39Å; I279-T314 HydrophobicContact CD1-CG2 3.52Å; I279-T314 HydrophobicContact CG1-CG2 3.75Å; E305-T314 WeakPolarHBondContact OE1-CB 3.43Å; E305-T314 WeakPolarHBondContact OE1-CG2 3.46Å; E305-T314 PolarHBondContact OE1-OG1 3.08Å; E305-T314 PolarHBondContact OE2-N 3.28Å; E305-T314 PolarHBondContact OE2-OG1 3.45Å; T314-V316 PolarHBondContact O-N 2.96Å; T314-V316 VanDerWaalsContact O-N 3.16Å; T314-I317 PolarHBondContact O-N 3.3Å; T314-I317 VanDerWaalsContact O-N 3.16Å
315N92.8Very high91Very high52 Ų5243 Ų4328%0.27822%0.217SC..THydrogen-bonded Turntrans-71.9-6.4-178.1-170.537.1000113.6K311 I317 Q320K311-N315 HydrophobicContact CB-CB 3.74Å; K311-N315 HydrophobicContact CD-CB 4.23Å; N315-I317 VanDerWaalsContact C-N 3.32Å; N315-Q320 PolarHBondContact O-NE2 2.79Å; N315-Q320 VanDerWaalsContact O-NE2 3.12Å; N315-Q320 PolarHBondContact OD1-NE2 3.05Å
316V96Very high91.1Very high9 Ų943 Ų436%0.05522%0.219CC..THydrogen-bonded Turntrans-85.9-6.1173.7-58.90000112.8I313 T314 V336 R337 L377I313-V316 VanDerWaalsContact O-CG2 3.29Å; I313-V316 WeakPolarHBondContact O-CG2 3.24Å; T314-V316 PolarHBondContact O-N 2.96Å; T314-V316 VanDerWaalsContact O-N 3.16Å; V316-V336 HydrophobicContact CG2-CG1 4.26Å; V316-V336 CarbonylContact O-C 3.46Å; V316-V336 VanDerWaalsContact O-CA 3.27Å; V316-V336 WeakPolarHBondContact O-CA 3.36Å; V316-R337 HydrophobicContact CB-CB 4.44Å; V316-R337 WeakPolarHBondContact CB-O 3.19Å; V316-R337 PolarHBondContact O-N 3.38Å; V316-L377 HydrophobicContact CG2-CD2 4.01Å
317I97.6Very high91.5Very high1 Ų144.6 Ų44.61%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-105.9135.2-176.3-40.3170.4000111.4M275 T314 N315 Q320 A326 Y334 V336 W373 L377M275-I317 HydrophobicContact CE-CB 4.05Å; M275-I317 HydrophobicContact CE-CD1 3.63Å; M275-I317 HydrophobicContact CE-CG1 4.38Å; M275-I317 HydrophobicContact CE-CG2 3.26Å; T314-I317 PolarHBondContact O-N 3.3Å; T314-I317 VanDerWaalsContact O-N 3.16Å; N315-I317 VanDerWaalsContact C-N 3.32Å; I317-Q320 VanDerWaalsContact O-CG 3.27Å; I317-Q320 WeakPolarHBondContact O-CG 3.4Å; I317-Q320 PolarHBondContact O-NE2 3.38Å; I317-A326 HydrophobicContact CB-CB 3.93Å; I317-A326 HydrophobicContact CG2-CB 4.45Å; I317-Y334 HydrophobicContact CG2-CD1 4.49Å; I317-V336 HydrophobicContact CG2-CG2 4.38Å; I317-W373 HydrophobicContact CD1-CB 3.93Å; I317-L377 HydrophobicContact CD1-CD1 4.07Å; I317-L377 HydrophobicContact CD1-CD2 3.84Å; I317-L377 HydrophobicContact CD1-CG 3.75Å; I317-L377 HydrophobicContact CG1-CD2 3.63Å; I317-L377 HydrophobicContact CG1-CG 4.14Å
318Y97.3Very high91.8Very high18 Ų1845.5 Ų45.57%0.07123%0.231CC..EExtended strand (participates in β ladder)trans-130.8150.7-179.5-59.1-95.9000110.4F227 L233 Q320 Y334 M335 R337F227-Y318 HydrophobicContact CZ-CE2 4.39Å; L233-Y318 HydrophobicContact CD2-CD1 4.48Å; L233-Y318 HydrophobicContact CD2-CE1 3.55Å; Y318-Q320 HydrophobicContact CD1-CG 3.76Å; Y318-Q320 HydrophobicContact CE1-CG 4.09Å; Y318-Q320 HydrophobicContact CG-CG 4.38Å; Y318-Y334 WeakPolarHBondContact O-CA 3.07Å; Y318-Y334 WeakPolarHBondContact O-CD1 3.38Å; Y318-M335 HydrophobicContact CD1-CE 3.88Å; Y318-M335 HydrophobicContact CD2-CE 3.47Å; Y318-M335 VanDerWaalsContact CD2-CE 3.47Å; Y318-M335 HydrophobicContact CD2-CG 4.34Å; Y318-M335 HydrophobicContact CE1-CE 4.32Å; Y318-M335 HydrophobicContact CE2-CE 3.95Å; Y318-M335 HydrophobicContact CG-CE 3.43Å; Y318-M335 VanDerWaalsContact CG-CE 3.43Å; Y318-M335 PolarHBondContact N-O 2.64Å; Y318-M335 PolarHBondContact O-N 3.38Å; Y318-R337 HydrophobicContact CE2-CB 4.32Å
319P96.1Very high92.1Very high10 Ų1044.7 Ų44.77%0.06523%0.228CC..SBendcis-71.5158.68.627.2-32.5000113.7F96 F237 I327 N329F96-P319 HydrophobicContact CZ-CG 4.29Å; F237-P319 HydrophobicContact CB-CB 4.15Å; F237-P319 HydrophobicContact CB-CG 4.09Å; F237-P319 HydrophobicContact CD1-CB 4.33Å; F237-P319 HydrophobicContact CD1-CG 4.27Å; F237-P319 HydrophobicContact CD2-CB 3.72Å; F237-P319 HydrophobicContact CD2-CG 4.44Å; F237-P319 HydrophobicContact CE2-CB 4.21Å; F237-P319 HydrophobicContact CG-CB 3.79Å; F237-P319 HydrophobicContact CG-CG 4Å; P319-I327 HydrophobicContact CB-CD1 4.37Å; P319-I327 HydrophobicContact CB-CG1 4.14Å; P319-I327 HydrophobicContact CG-CD1 4.38Å; P319-I327 HydrophobicContact CG-CG1 3.9Å; P319-I327 PolarHBondContact O-N 3.49Å; P319-N329 HydrophobicContact CG-CB 3.93Å
320Q93.6Very high92.3Very high50 Ų5042.1 Ų42.123%0.23422%0.218CC..BIsolated β-bridgetrans-115.5145.5175.7-65.8-177.8-14.200110.7N315 I317 Y318 E325N315-Q320 PolarHBondContact O-NE2 2.79Å; N315-Q320 VanDerWaalsContact O-NE2 3.12Å; N315-Q320 PolarHBondContact OD1-NE2 3.05Å; I317-Q320 VanDerWaalsContact O-CG 3.27Å; I317-Q320 WeakPolarHBondContact O-CG 3.4Å; I317-Q320 PolarHBondContact O-NE2 3.38Å; Y318-Q320 HydrophobicContact CD1-CG 3.76Å; Y318-Q320 HydrophobicContact CE1-CG 4.09Å; Y318-Q320 HydrophobicContact CG-CG 4.38Å; Q320-E325 CarbonylContact C-O 3.55Å; Q320-E325 WeakPolarHBondContact CA-O 3.29Å
321G87.4Confident92.5Very high22 Ų2237 Ų3723%0.22720%0.196CC..  trans-74.6-174.317300000112.3N323 G324 E325G321-N323 PolarHBondContact O-N 3.02Å; G321-G324 PolarHBondContact O-N 3.41Å; G321-E325 PolarHBondContact N-O 2.95Å
322I82.9Confident92.8Very high153 Ų15332.1 Ų32.179%0.78518%0.175SC*.THydrogen-bonded Turntrans-63.8-24.7-173.7-153.5165.8000113.2
323N83.9Confident93.1Very high125 Ų12531.8 Ų31.867%0.66817%0.172SC*.THydrogen-bonded Turntrans-9915.5177.6-46.5-65.2000112.7K311 G321 E325K311-N323 PolarHBondContact NZ-O 3.04Å; K311-N323 VanDerWaalsContact NZ-O 3.09Å; G321-N323 PolarHBondContact O-N 3.02Å; N323-E325 VanDerWaalsContact C-N 3.29Å; N323-E325 WeakPolarHBondContact CA-OE2 3.38Å; N323-E325 WeakPolarHBondContact CB-OE2 3.4Å; N323-E325 PolarHBondContact N-OE2 2.81Å; N323-E325 PolarHBondContact O-N 3.48Å
324G88.1Confident93.4Very high19 Ų1931.8 Ų31.820%0.19617%0.172CC..SBendtrans69.124.1179.900000113.6K311 G321K311-G324 PolarHBondContact NZ-O 3.25Å; G321-G324 PolarHBondContact O-N 3.41Å
325E91.1Very high93.6Very high74 Ų7431.4 Ų31.435%0.34617%0.17SC..  trans-88.6138.4172.873.7-72.7-176.800110.7Q320 G321 N323 I327Q320-E325 CarbonylContact C-O 3.55Å; Q320-E325 WeakPolarHBondContact CA-O 3.29Å; G321-E325 PolarHBondContact N-O 2.95Å; N323-E325 VanDerWaalsContact C-N 3.29Å; N323-E325 WeakPolarHBondContact CA-OE2 3.38Å; N323-E325 WeakPolarHBondContact CB-OE2 3.4Å; N323-E325 PolarHBondContact N-OE2 2.81Å; N323-E325 PolarHBondContact O-N 3.48Å; E325-I327 HydrophobicContact CG-CG2 4.27Å; E325-I327 PolarHBondContact O-N 2.92Å
326A95Very high93.9Very high11 Ų1129 Ų299%0.09116%0.157CC..BIsolated β-bridgetrans-65.2129.1176.900000110.9M275 I276 I317M275-A326 HydrophobicContact CE-CB 4.46Å; M275-A326 HydrophobicContact CG-CB 3.87Å; I276-A326 HydrophobicContact CD1-CB 4.17Å; I317-A326 HydrophobicContact CB-CB 3.93Å; I317-A326 HydrophobicContact CG2-CB 4.45Å
327I94Very high93.9Very high47 Ų4730.8 Ų30.824%0.24116%0.163CC..  trans-113.7156.1-176.762.9175.1000112.3F96 P319 E325F96-I327 HydrophobicContact CE2-CD1 4.04Å; F96-I327 HydrophobicContact CZ-CD1 4.4Å; P319-I327 HydrophobicContact CB-CD1 4.37Å; P319-I327 HydrophobicContact CB-CG1 4.14Å; P319-I327 HydrophobicContact CG-CD1 4.38Å; P319-I327 HydrophobicContact CG-CG1 3.9Å; P319-I327 PolarHBondContact O-N 3.49Å; E325-I327 HydrophobicContact CG-CG2 4.27Å; E325-I327 PolarHBondContact O-N 2.92Å
328Y94.6Very high94Very high40 Ų4030.8 Ų30.816%0.15716%0.163CC..  trans-73.2131.5174.2167.8-113000109.4P266 P273 P330 Y334 L372P266-Y328 HydrophobicContact CB-CE2 4.26Å; P266-Y328 HydrophobicContact CG-CE2 4.47Å; P273-Y328 HydrophobicContact CB-CD1 4.35Å; P273-Y328 HydrophobicContact CB-CD2 3.87Å; P273-Y328 HydrophobicContact CB-CE1 4.15Å; P273-Y328 HydrophobicContact CB-CE2 3.69Å; P273-Y328 HydrophobicContact CB-CG 4.22Å; P273-Y328 HydrophobicContact CG-CE1 4.09Å; P273-Y328 HydrophobicContact CG-CE2 4.02Å; Y328-P330 HydrophobicContact CE1-CB 3.86Å; Y328-P330 HydrophobicContact CE1-CG 4.39Å; Y328-Y334 WeakPolarHBondContact CD2-OH 3.5Å; Y328-L372 HydrophobicContact CD2-CD1 3.6Å; Y328-L372 HydrophobicContact CE2-CD1 3.88Å
329N95.7Very high94Very high0 Ų031.4 Ų31.40%017%0.168CC..  trans-112.2106.1176.8-177.47.6000110.6F96 F237 P319 C331 G332 K333 Y334F96-N329 VanDerWaalsContact CE1-OD1 3.22Å; F96-N329 WeakPolarHBondContact CE1-OD1 3.14Å; F96-N329 HydrophobicContact CE2-CB 4.49Å; F96-N329 HydrophobicContact CZ-CB 4.15Å; F237-N329 PolarHBondContact O-ND2 3.4Å; P319-N329 HydrophobicContact CG-CB 3.93Å; N329-C331 PolarHBondContact O-N 3.16Å; N329-C331 WeakPolarHBondContact OD1-CA 3.38Å; N329-C331 WeakPolarHBondContact OD1-CB 3.5Å; N329-C331 PolarHBondContact OD1-N 3.36Å; N329-C331 PolarHBondContact OD1-SG 3.04Å; N329-C331 VanDerWaalsContact OD1-SG 3.38Å; N329-G332 PolarHBondContact O-N 3.14Å; N329-K333 PolarHBondContact ND2-N 3.41Å; N329-K333 PolarHBondContact ND2-O 3.18Å; N329-Y334 HydrophobicContact CB-CE1 4.2Å; N329-Y334 HydrophobicContact CB-CE2 4.41Å; N329-Y334 PolarHBondContact N-OH 3.26Å
330P93.9Very high93.9Very high16 Ų1631.9 Ų31.910%0.10417%0.169CC..THydrogen-bonded Turntrans-69.1-9.5175.729.3-34.6000113.9S92 R93 F96 Y328S92-P330 WeakPolarHBondContact O-CG 3.3Å; R93-P330 HydrophobicContact CB-CB 4.4Å; F96-P330 HydrophobicContact CB-CG 3.46Å; F96-P330 VanDerWaalsContact CB-CG 3.46Å; F96-P330 VanDerWaalsContact CD2-CD 3.48Å; F96-P330 HydrophobicContact CD2-CG 4.07Å; F96-P330 HydrophobicContact CG-CG 3.82Å; Y328-P330 HydrophobicContact CE1-CB 3.86Å; Y328-P330 HydrophobicContact CE1-CG 4.39Å
331C95.7Very high94Very high0 Ų030 Ų300%016%0.16CC..THydrogen-bonded Turntrans-75.8-9.5167-47.50000111.8R93 F237 F239 P242 F243 N329 K333R93-C331 HydrophobicContact CG-CB 4.47Å; F237-C331 WeakPolarHBondContact O-CB 3.41Å; F239-C331 PolarHBondContact N-SG 3.19Å; F239-C331 VanDerWaalsContact N-SG 3.43Å; P242-C331 CarbonylContact C-O 3.6Å; P242-C331 WeakPolarHBondContact CA-O 3.43Å; F243-C331 WeakPolarHBondContact CB-O 3.17Å; F243-C331 PolarHBondContact N-O 3.11Å; N329-C331 PolarHBondContact O-N 3.16Å; N329-C331 WeakPolarHBondContact OD1-CA 3.38Å; N329-C331 WeakPolarHBondContact OD1-CB 3.5Å; N329-C331 PolarHBondContact OD1-N 3.36Å; N329-C331 PolarHBondContact OD1-SG 3.04Å; N329-C331 VanDerWaalsContact OD1-SG 3.38Å; C331-K333 VanDerWaalsContact C-N 3.31Å; C331-K333 PolarHBondContact O-N 2.96Å
332G96.3Very high94.4Very high0 Ų029.5 Ų29.50%016%0.155CC..  trans73.314.8173.300000115.4N329 D350 D351N329-G332 PolarHBondContact O-N 3.14Å; G332-D350 CarbonylContact O-C 3.56Å; G332-D350 WeakPolarHBondContact O-CA 3.19Å; G332-D351 VanDerWaalsContact CA-CG 3.43Å; G332-D351 VanDerWaalsContact CA-OD2 3.29Å; G332-D351 WeakPolarHBondContact CA-OD2 3.42Å; G332-D351 PolarHBondContact O-N 3.23Å; G332-D351 VanDerWaalsContact O-N 3.09Å
333K97.9Very high94.9Very high13 Ų1322.5 Ų22.56%0.05712%0.119CC..EExtended strand (participates in β ladder)trans-101.6132.1173.2-171.1178.9176.3-174.70110.7E235 R236 F237 F239 F243 N329 C331 I348E235-K333 IonicContact OE1-NZ 2.8Å; E235-K333 PolarHBondContact OE1-NZ 2.75Å; R236-K333 WeakPolarHBondContact O-CD 3.34Å; R236-K333 PolarHBondContact O-NZ 2.76Å; F237-K333 HydrophobicContact CD1-CB 4.38Å; F237-K333 HydrophobicContact CD1-CD 4.29Å; F237-K333 HydrophobicContact CD1-CG 4.11Å; F239-K333 HydrophobicContact CE2-CB 4.49Å; F239-K333 HydrophobicContact CE2-CD 3.58Å; F239-K333 HydrophobicContact CZ-CD 4.2Å; F243-K333 HydrophobicContact CB-CB 3.67Å; F243-K333 HydrophobicContact CB-CG 4.41Å; F243-K333 HydrophobicContact CD1-CB 3.71Å; F243-K333 HydrophobicContact CD1-CD 4.36Å; F243-K333 HydrophobicContact CD1-CG 3.69Å; F243-K333 HydrophobicContact CD2-CB 4.22Å; F243-K333 HydrophobicContact CD2-CD 3.83Å; F243-K333 HydrophobicContact CD2-CG 4.08Å; F243-K333 HydrophobicContact CE1-CB 4.43Å; F243-K333 HydrophobicContact CE1-CD 4.46Å; F243-K333 HydrophobicContact CE1-CG 3.91Å; F243-K333 HydrophobicContact CE2-CD 3.94Å; F243-K333 HydrophobicContact CE2-CG 4.27Å; F243-K333 HydrophobicContact CG-CB 3.59Å; F243-K333 HydrophobicContact CG-CD 4.06Å; F243-K333 HydrophobicContact CG-CG 3.79Å; F243-K333 HydrophobicContact CZ-CD 4.26Å; F243-K333 HydrophobicContact CZ-CG 4.2Å; N329-K333 PolarHBondContact ND2-N 3.41Å; N329-K333 PolarHBondContact ND2-O 3.18Å; C331-K333 VanDerWaalsContact C-N 3.31Å; C331-K333 PolarHBondContact O-N 2.96Å; K333-I348 HydrophobicContact CG-CG2 4.35Å
334Y98.2Very high95.5Very high0 Ų018.8 Ų18.80%010%0.102CC..EExtended strand (participates in β ladder)trans-132.2156.2172.6-65.1-91.2000110.9M275 I317 Y318 Y328 N329 I348 I349 D351 L376M275-Y334 HydrophobicContact CE-CD1 4.49Å; M275-Y334 HydrophobicContact CE-CE1 4.33Å; M275-Y334 HydrophobicContact SD-CD1 4.44Å; M275-Y334 HydrophobicContact SD-CE1 3.72Å; I317-Y334 HydrophobicContact CG2-CD1 4.49Å; Y318-Y334 WeakPolarHBondContact O-CA 3.07Å; Y318-Y334 WeakPolarHBondContact O-CD1 3.38Å; Y328-Y334 WeakPolarHBondContact CD2-OH 3.5Å; N329-Y334 HydrophobicContact CB-CE1 4.2Å; N329-Y334 HydrophobicContact CB-CE2 4.41Å; N329-Y334 PolarHBondContact N-OH 3.26Å; Y334-I348 WeakPolarHBondContact O-CA 3.26Å; Y334-I349 PolarHBondContact N-O 3.44Å; Y334-I349 PolarHBondContact O-N 3.11Å; Y334-D351 HydrophobicContact CD2-CB 4.29Å; Y334-D351 HydrophobicContact CE2-CB 3.89Å; Y334-L376 HydrophobicContact CD1-CD1 4.03Å; Y334-L376 HydrophobicContact CD2-CD1 3.95Å; Y334-L376 HydrophobicContact CD2-CD2 4.3Å; Y334-L376 HydrophobicContact CE1-CD1 3.82Å; Y334-L376 HydrophobicContact CE2-CD1 3.76Å; Y334-L376 HydrophobicContact CE2-CD2 4.47Å; Y334-L376 HydrophobicContact CG-CD1 4.08Å
335M97.9Very high95.9Very high0 Ų017.9 Ų17.90%09%0.092CC..EExtended strand (participates in β ladder)trans-126.7131.9171.4171178.380.600108F227 E235 F237 Y318 K346 V347 I348F227-M335 HydrophobicContact CE2-CE 3.68Å; F227-M335 HydrophobicContact CE2-SD 3.83Å; F227-M335 HydrophobicContact CZ-CE 3.88Å; E235-M335 HydrophobicContact CB-SD 4.3Å; E235-M335 HydrophobicContact CG-SD 4.37Å; F237-M335 HydrophobicContact CE1-CB 3.66Å; F237-M335 HydrophobicContact CZ-CB 3.69Å; F237-M335 HydrophobicContact CZ-CE 4.14Å; F237-M335 HydrophobicContact CZ-SD 4.43Å; Y318-M335 HydrophobicContact CD1-CE 3.88Å; Y318-M335 HydrophobicContact CD2-CE 3.47Å; Y318-M335 VanDerWaalsContact CD2-CE 3.47Å; Y318-M335 HydrophobicContact CD2-CG 4.34Å; Y318-M335 HydrophobicContact CE1-CE 4.32Å; Y318-M335 HydrophobicContact CE2-CE 3.95Å; Y318-M335 HydrophobicContact CG-CE 3.43Å; Y318-M335 VanDerWaalsContact CG-CE 3.43Å; Y318-M335 PolarHBondContact N-O 2.64Å; Y318-M335 PolarHBondContact O-N 3.38Å; M335-K346 HydrophobicContact CG-CD 4.19Å; M335-K346 HydrophobicContact CG-CG 3.8Å; M335-K346 HydrophobicContact SD-CD 3.37Å; M335-K346 WeakPolarHBondContact SD-CD 3.45Å; M335-K346 HydrophobicContact SD-CG 3.61Å; M335-V347 CarbonylContact C-O 3.57Å; M335-V347 WeakPolarHBondContact CA-O 3.5Å; M335-I348 HydrophobicContact CB-CD1 3.62Å; M335-I348 HydrophobicContact CG-CD1 3.85Å; M335-I348 HydrophobicContact SD-CD1 4.22Å
336V98.3Very high96.2Very high0 Ų016.7 Ų16.70%09%0.086CC..EExtended strand (participates in β ladder)trans-120132.4174.9-174.10000108.7V316 I317 L338 V347 I349 L377 A380V316-V336 HydrophobicContact CG2-CG1 4.26Å; V316-V336 CarbonylContact O-C 3.46Å; V316-V336 VanDerWaalsContact O-CA 3.27Å; V316-V336 WeakPolarHBondContact O-CA 3.36Å; I317-V336 HydrophobicContact CG2-CG2 4.38Å; V336-L338 HydrophobicContact CG1-CD1 4.42Å; V336-L338 HydrophobicContact CG1-CD2 3.82Å; V336-L338 HydrophobicContact CG1-CG 3.88Å; V336-V347 PolarHBondContact N-O 2.95Å; V336-V347 WeakPolarHBondContact O-CB 3.3Å; V336-V347 PolarHBondContact O-N 3.4Å; V336-I349 HydrophobicContact CG2-CD1 4.46Å; V336-L377 HydrophobicContact CG1-CD2 3.57Å; V336-L377 HydrophobicContact CG2-CD2 4.31Å; V336-A380 HydrophobicContact CB-CB 3.65Å; V336-A380 HydrophobicContact CG1-CB 4.06Å; V336-A380 HydrophobicContact CG2-CB 3.57Å
337R97.5Very high96.3Very high48 Ų4816.1 Ų16.118%0.1818%0.082CC..EExtended strand (participates in β ladder)trans-95.1110.6176.5-175.5177.864155.4-0.1109.9F227 V316 Y318 P344 R345F227-R337 HydrophobicContact CB-CG 4.36Å; F227-R337 HydrophobicContact CD2-CB 4.21Å; F227-R337 HydrophobicContact CD2-CG 3.86Å; F227-R337 HydrophobicContact CE2-CB 4.22Å; F227-R337 HydrophobicContact CE2-CG 4.26Å; F227-R337 HydrophobicContact CG-CG 4Å; V316-R337 HydrophobicContact CB-CB 4.44Å; V316-R337 WeakPolarHBondContact CB-O 3.19Å; V316-R337 PolarHBondContact O-N 3.38Å; Y318-R337 HydrophobicContact CE2-CB 4.32Å; R337-P344 HydrophobicContact CG-CB 4.07Å; R337-R345 WeakPolarHBondContact CA-O 3.21Å
338L98.3Very high96.5Very high0 Ų015.4 Ų15.40%08%0.078CC..EExtended strand (participates in β ladder)trans-121147.1-179-61.7178.2000110.8V336 F340 P344 R345 V347 A380 Y381 L402V336-L338 HydrophobicContact CG1-CD1 4.42Å; V336-L338 HydrophobicContact CG1-CD2 3.82Å; V336-L338 HydrophobicContact CG1-CG 3.88Å; L338-F340 HydrophobicContact CB-CD2 3.69Å; L338-F340 HydrophobicContact CB-CE2 3.35Å; L338-F340 HydrophobicContact CB-CZ 4.36Å; L338-F340 HydrophobicContact CD1-CE2 3.66Å; L338-F340 HydrophobicContact CD1-CZ 4.28Å; L338-F340 HydrophobicContact CG-CE2 4.12Å; L338-P344 CarbonylContact O-C 3.55Å; L338-R345 PolarHBondContact N-O 3.29Å; L338-R345 VanDerWaalsContact N-O 3.08Å; L338-R345 PolarHBondContact O-N 3.2Å; L338-V347 HydrophobicContact CB-CG2 4.41Å; L338-V347 HydrophobicContact CD1-CG2 4.16Å; L338-V347 HydrophobicContact CG-CG2 4.38Å; L338-A380 HydrophobicContact CD1-CB 4.29Å; L338-Y381 HydrophobicContact CD1-CD2 4.28Å; L338-L402 HydrophobicContact CD2-CD2 3.91Å
339N97.1Very high96.7Very high32 Ų3213.5 Ų13.517%0.1717%0.07CC..EExtended strand (participates in β ladder)trans-93.3105-178.1-59.4-82.9000110.2V343 A401 G404N339-V343 WeakPolarHBondContact CA-O 3.42Å; N339-A401 PolarHBondContact N-O 3.05Å; N339-A401 PolarHBondContact ND2-O 3.01Å; N339-A401 VanDerWaalsContact O-CA 3.28Å; N339-A401 WeakPolarHBondContact O-CA 3.28Å; N339-G404 PolarHBondContact ND2-N 3.39Å; N339-G404 VanDerWaalsContact ND2-N 3.2Å
340F95.3Very high96.8Very high20 Ų2013.6 Ų13.69%0.0887%0.071CC..EExtended strand (participates in β ladder)trans-133.4146178.6-70.1-72.1000110.5I219 L338 G342 V343 R345 Y381 V384 M385 A401I219-F340 HydrophobicContact CD1-CB 4.29Å; L338-F340 HydrophobicContact CB-CD2 3.69Å; L338-F340 HydrophobicContact CB-CE2 3.35Å; L338-F340 HydrophobicContact CB-CZ 4.36Å; L338-F340 HydrophobicContact CD1-CE2 3.66Å; L338-F340 HydrophobicContact CD1-CZ 4.28Å; L338-F340 HydrophobicContact CG-CE2 4.12Å; F340-G342 VanDerWaalsContact C-N 3.25Å; F340-G342 PolarHBondContact O-N 2.96Å; F340-V343 PolarHBondContact N-O 2.94Å; F340-V343 PolarHBondContact O-N 3.42Å; F340-R345 PolarHBondContact O-NE 3.02Å; F340-Y381 HydrophobicContact CE1-CD2 4.46Å; F340-Y381 AromaticContact CE1-CE2 3.85Å; F340-Y381 HydrophobicContact CE1-CE2 3.85Å; F340-Y381 AromaticContact CZ-CD2 3.63Å; F340-Y381 HydrophobicContact CZ-CD2 3.63Å; F340-Y381 AromaticContact CZ-CE2 3.46Å; F340-Y381 HydrophobicContact CZ-CE2 3.46Å; F340-Y381 VanDerWaalsContact CZ-CE2 3.46Å; F340-V384 HydrophobicContact CD1-CG1 4.29Å; F340-V384 HydrophobicContact CD2-CB 4.47Å; F340-V384 HydrophobicContact CD2-CG1 3.83Å; F340-V384 HydrophobicContact CD2-CG2 4.27Å; F340-V384 HydrophobicContact CE1-CG1 4.15Å; F340-V384 HydrophobicContact CE2-CB 3.85Å; F340-V384 HydrophobicContact CE2-CG1 3.61Å; F340-V384 HydrophobicContact CE2-CG2 3.75Å; F340-V384 HydrophobicContact CG-CG1 4.13Å; F340-V384 HydrophobicContact CZ-CB 4.03Å; F340-V384 HydrophobicContact CZ-CG1 3.77Å; F340-V384 HydrophobicContact CZ-CG2 4.41Å; F340-M385 HydrophobicContact CD1-CE 4.32Å; F340-M385 HydrophobicContact CE1-CE 3.35Å; F340-M385 HydrophobicContact CZ-CE 3.87Å; F340-A401 HydrophobicContact CD1-CB 4.33Å; F340-A401 HydrophobicContact CE1-CB 3.7Å; F340-A401 HydrophobicContact CE2-CB 4.47Å; F340-A401 HydrophobicContact CZ-CB 3.83Å
341N96Very high97Very high11 Ų1113 Ų136%0.0597%0.067CC..THydrogen-bonded Turntrans4952176.3-64.1-11.8000111.1T216 V343 R345 H593 I594T216-N341 PolarHBondContact O-ND2 2.91Å; T216-N341 VanDerWaalsContact O-ND2 3.15Å; N341-V343 VanDerWaalsContact C-N 3.33Å; N341-V343 PolarHBondContact O-N 3.25Å; N341-R345 PolarHBondContact O-NH2 3.38Å; N341-H593 HydrophobicContact CB-CB 3.97Å; N341-H593 PolarHBondContact O-CE1 3.01Å; N341-H593 PolarHBondContact O-NE2 3.33Å; N341-H593 VanDerWaalsContact OD1-CA 3.25Å; N341-H593 WeakPolarHBondContact OD1-CA 3.31Å; N341-I594 PolarHBondContact ND2-O 3.01Å; N341-I594 PolarHBondContact OD1-N 3.3Å; N341-I594 PolarHBondContact OD1-O 3.49Å
342G93.9Very high97.1Very high10 Ų1015 Ų1510%0.1038%0.076CC..THydrogen-bonded Turntrans85.9-18172.200000117.7F340 T669 R671F340-G342 VanDerWaalsContact C-N 3.25Å; F340-G342 PolarHBondContact O-N 2.96Å; G342-T669 WeakPolarHBondContact CA-OG1 3.45Å; G342-R671 PolarHBondContact O-NH2 3.34Å
343V95.3Very high97Very high6 Ų615 Ų154%0.0368%0.076CC..EExtended strand (participates in β ladder)trans-137.2156.3-168.4-62.60000112.5F205 L213 P226 N339 F340 N341 R345F205-V343 HydrophobicContact CZ-CG1 4.22Å; L213-V343 HydrophobicContact CD1-CG1 4.37Å; L213-V343 HydrophobicContact CD2-CG1 3.87Å; L213-V343 HydrophobicContact CD2-CG2 3.89Å; P226-V343 HydrophobicContact CB-CG2 4.25Å; P226-V343 HydrophobicContact CG-CG2 4.24Å; N339-V343 WeakPolarHBondContact CA-O 3.42Å; F340-V343 PolarHBondContact N-O 2.94Å; F340-V343 PolarHBondContact O-N 3.42Å; N341-V343 VanDerWaalsContact C-N 3.33Å; N341-V343 PolarHBondContact O-N 3.25Å; V343-R345 HydrophobicContact CG2-CG 4.03Å
344P96.3Very high97Very high47 Ų4714.4 Ų14.431%0.3057%0.073SC..EExtended strand (participates in β ladder)trans-64.2138167.1-14.528.7000109.7P226 F227 R337 L338P226-P344 CarbonylContact C-O 3.39Å; P226-P344 WeakPolarHBondContact CA-O 3.49Å; F227-P344 HydrophobicContact CB-CB 4.08Å; F227-P344 PolarHBondContact N-O 3.41Å; R337-P344 HydrophobicContact CG-CB 4.07Å; L338-P344 CarbonylContact O-C 3.55Å
345R96.7Very high96.7Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-132.5146.8-178.3-64.4-176.7-176.7-95.30.8111.3S217 Y224 L225 R337 L338 F340 N341 V343S217-R345 PolarHBondContact OG-NH1 2.9Å; Y224-R345 WeakPolarHBondContact O-CD 3.4Å; Y224-R345 PolarHBondContact O-NH1 3.35Å; L225-R345 WeakPolarHBondContact O-CA 3.37Å; R337-R345 WeakPolarHBondContact CA-O 3.21Å; L338-R345 PolarHBondContact N-O 3.29Å; L338-R345 VanDerWaalsContact N-O 3.08Å; L338-R345 PolarHBondContact O-N 3.2Å; F340-R345 PolarHBondContact O-NE 3.02Å; N341-R345 PolarHBondContact O-NH2 3.38Å; V343-R345 HydrophobicContact CG2-CG 4.03Å
346K95.4Very high96.5Very high49 Ų4914.8 Ų14.821%0.2138%0.076CC..EExtended strand (participates in β ladder)trans-81.2123.3177.2178.8167.470.6179.30110.8L225 F227 D232 E235 M335 I348L225-K346 PolarHBondContact O-N 3.47Å; F227-K346 HydrophobicContact CD2-CB 3.96Å; D232-K346 HydrophobicContact CB-CD 4.25Å; D232-K346 WeakPolarHBondContact OD1-CD 3.28Å; D232-K346 WeakPolarHBondContact OD1-CE 3.39Å; D232-K346 IonicContact OD1-NZ 2.75Å; D232-K346 PolarHBondContact OD1-NZ 2.96Å; E235-K346 IonicContact OE2-NZ 2.64Å; E235-K346 PolarHBondContact OE2-NZ 3.44Å; M335-K346 HydrophobicContact CG-CD 4.19Å; M335-K346 HydrophobicContact CG-CG 3.8Å; M335-K346 HydrophobicContact SD-CD 3.37Å; M335-K346 WeakPolarHBondContact SD-CD 3.45Å; M335-K346 HydrophobicContact SD-CG 3.61Å; K346-I348 HydrophobicContact CD-CD1 3.92Å; K346-I348 HydrophobicContact CD-CG1 4.33Å; K346-I348 HydrophobicContact CG-CD1 3.98Å; K346-I348 HydrophobicContact CG-CG1 4.23Å
347V97.9Very high96.2Very high0 Ų022.1 Ų22.10%011%0.107CC..EExtended strand (participates in β ladder)trans-117.2103.7174.1-174.40000109.4Y224 M335 V336 L338 I349 A380 K383 V384Y224-V347 HydrophobicContact CD1-CG2 3.96Å; Y224-V347 HydrophobicContact CE1-CG1 4.07Å; Y224-V347 HydrophobicContact CE1-CG2 4.24Å; M335-V347 CarbonylContact C-O 3.57Å; M335-V347 WeakPolarHBondContact CA-O 3.5Å; V336-V347 PolarHBondContact N-O 2.95Å; V336-V347 WeakPolarHBondContact O-CB 3.3Å; V336-V347 PolarHBondContact O-N 3.4Å; L338-V347 HydrophobicContact CB-CG2 4.41Å; L338-V347 HydrophobicContact CD1-CG2 4.16Å; L338-V347 HydrophobicContact CG-CG2 4.38Å; V347-I349 HydrophobicContact CG1-CG2 4.19Å; V347-A380 HydrophobicContact CG1-CB 3.99Å; V347-K383 HydrophobicContact CG1-CD 4.4Å; V347-V384 HydrophobicContact CG1-CG2 4.12Å; V347-V384 HydrophobicContact CG2-CG2 3.61Å
348I97.9Very high95.7Very high31 Ų3124.8 Ų24.816%0.15913%0.125CC..EExtended strand (participates in β ladder)trans-82.9133.4172.6-58.2-56.8000109.1E235 F243 K333 Y334 M335 K346 K383E235-I348 HydrophobicContact CG-CD1 4.31Å; F243-I348 HydrophobicContact CE1-CG2 3.82Å; F243-I348 HydrophobicContact CZ-CG2 3.66Å; K333-I348 HydrophobicContact CG-CG2 4.35Å; Y334-I348 WeakPolarHBondContact O-CA 3.26Å; M335-I348 HydrophobicContact CB-CD1 3.62Å; M335-I348 HydrophobicContact CG-CD1 3.85Å; M335-I348 HydrophobicContact SD-CD1 4.22Å; K346-I348 HydrophobicContact CD-CD1 3.92Å; K346-I348 HydrophobicContact CD-CG1 4.33Å; K346-I348 HydrophobicContact CG-CD1 3.98Å; K346-I348 HydrophobicContact CG-CG1 4.23Å; I348-K383 PolarHBondContact O-NZ 3.41Å
349I98.4Very high95.1Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-134.3154.6172.359.9173.1000110.5Y334 V336 V347 L376 K379 A380 K383Y334-I349 PolarHBondContact N-O 3.44Å; Y334-I349 PolarHBondContact O-N 3.11Å; V336-I349 HydrophobicContact CG2-CD1 4.46Å; V347-I349 HydrophobicContact CG1-CG2 4.19Å; I349-L376 HydrophobicContact CD1-CB 4.21Å; I349-L376 HydrophobicContact CD1-CD2 4.17Å; I349-L376 VanDerWaalsContact CD1-O 3.24Å; I349-L376 WeakPolarHBondContact CD1-O 3.17Å; I349-K379 HydrophobicContact CB-CD 4.44Å; I349-K379 HydrophobicContact CD1-CB 4.3Å; I349-K379 HydrophobicContact CD1-CD 4.24Å; I349-K379 HydrophobicContact CD1-CG 4.34Å; I349-K379 HydrophobicContact CG2-CG 4.44Å; I349-A380 HydrophobicContact CD1-CB 4.17Å; I349-A380 HydrophobicContact CG2-CB 4.22Å; I349-K383 HydrophobicContact CG2-CB 4.44Å; I349-K383 HydrophobicContact CG2-CD 3.76Å
350D98.4Very high94.6Very high2 Ų230.4 Ų30.41%0.01116%0.157CC..EExtended strand (participates in β ladder)trans-86.5-178.9157.771.432.7000112F243 D245 G332 F352 K379F243-D350 HydrophobicContact CD1-CB 3.73Å; F243-D350 HydrophobicContact CE1-CB 4.16Å; F243-D350 WeakPolarHBondContact O-CB 3.32Å; D245-D350 HydrophobicContact CB-CB 4.11Å; D245-D350 WeakPolarHBondContact CB-OD2 3.37Å; D245-D350 PolarHBondContact N-OD2 2.96Å; G332-D350 CarbonylContact O-C 3.56Å; G332-D350 WeakPolarHBondContact O-CA 3.19Å; D350-F352 WeakPolarHBondContact OD1-CB 3.47Å; D350-F352 PolarHBondContact OD1-N 2.98Å; D350-F352 WeakPolarHBondContact OD2-CD2 3.46Å; D350-K379 VanDerWaalsContact C-NZ 3.3Å; D350-K379 WeakPolarHBondContact O-CE 3.27Å; D350-K379 PolarHBondContact O-NZ 3.19Å; D350-K379 IonicContact OD1-NZ 3.41Å; D350-K379 PolarHBondContact OD1-NZ 3.47Å
351D97.3Very high94.4Very high3 Ų330.3 Ų30.32%0.01616%0.158CC..  trans-10214.9-178.869.6-7.4000115R265 P266 G332 Y334 L353 L376R265-D351 WeakPolarHBondContact CD-OD1 3.4Å; R265-D351 WeakPolarHBondContact CG-OD1 3.18Å; R265-D351 IonicContact CZ-OD1 3.12Å; R265-D351 IonicContact NE-OD1 2.88Å; R265-D351 IonicContact NH1-OD1 3.91Å; R265-D351 PolarHBondContact NH1-OD1 3.27Å; P266-D351 VanDerWaalsContact CD-OD2 3.25Å; P266-D351 WeakPolarHBondContact CD-OD2 3.38Å; P266-D351 HydrophobicContact CG-CB 4.31Å; G332-D351 VanDerWaalsContact CA-CG 3.43Å; G332-D351 VanDerWaalsContact CA-OD2 3.29Å; G332-D351 WeakPolarHBondContact CA-OD2 3.42Å; G332-D351 PolarHBondContact O-N 3.23Å; G332-D351 VanDerWaalsContact O-N 3.09Å; Y334-D351 HydrophobicContact CD2-CB 4.29Å; Y334-D351 HydrophobicContact CE2-CB 3.89Å; D351-L353 PolarHBondContact O-N 3.17Å; D351-L376 HydrophobicContact CB-CD2 4.26Å
352F97.7Very high94.3Very high43 Ų4330.1 Ų30.119%0.18916%0.156CC..  trans-67.3127.5171.7-79.6-65.3000111.7V244 L249 W263 V264 R265 D350 K379V244-F352 HydrophobicContact CG2-CE2 4.4Å; L249-F352 HydrophobicContact CD2-CB 3.95Å; L249-F352 HydrophobicContact CD2-CD2 4.19Å; L249-F352 HydrophobicContact CD2-CG 4.16Å; W263-F352 HydrophobicContact CB-CD1 4.18Å; W263-F352 HydrophobicContact CE3-CB 4.03Å; V264-F352 CarbonylContact O-C 3.58Å; V264-F352 WeakPolarHBondContact O-CA 3.44Å; R265-F352 HydrophobicContact CG-CD1 3.72Å; R265-F352 HydrophobicContact CG-CE1 3.63Å; R265-F352 HydrophobicContact CG-CG 4.33Å; R265-F352 HydrophobicContact CG-CZ 4.19Å; R265-F352 VanDerWaalsContact CZ-CE2 3.49Å; R265-F352 VanDerWaalsContact NE-CZ 3.33Å; D350-F352 WeakPolarHBondContact OD1-CB 3.47Å; D350-F352 PolarHBondContact OD1-N 2.98Å; D350-F352 WeakPolarHBondContact OD2-CD2 3.46Å; F352-K379 WeakPolarHBondContact O-CE 3.48Å; F352-K379 PolarHBondContact O-NZ 3.01Å
353L96.2Very high94.3Very high1 Ų129.6 Ų29.61%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-124144.2176.7-60.6173.8000110.8W263 V264 D351 M355 L361 K379W263-L353 WeakPolarHBondContact CA-O 3.25Å; W263-L353 VanDerWaalsContact CE3-C 3.45Å; V264-L353 PolarHBondContact N-O 2.56Å; V264-L353 PolarHBondContact O-N 3.39Å; D351-L353 PolarHBondContact O-N 3.17Å; L353-M355 PolarHBondContact O-N 2.78Å; L353-L361 HydrophobicContact CB-CD2 3.86Å; L353-L361 HydrophobicContact CD1-CD1 4.11Å; L353-L361 HydrophobicContact CD1-CD2 4.37Å; L353-K379 HydrophobicContact CD2-CB 4.48Å; L353-K379 HydrophobicContact CD2-CD 4.15Å
354P96Very high94.1Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-76.5124.8-179.630.8-32.1000110.2L252 L260 W263 L362 C363 Y388L252-P354 HydrophobicContact CD1-CB 4.37Å; L252-P354 HydrophobicContact CD2-CB 3.95Å; L252-P354 HydrophobicContact CD2-CG 4.04Å; L260-P354 HydrophobicContact CD1-CB 3.82Å; W263-P354 HydrophobicContact CD2-CB 4.29Å; W263-P354 HydrophobicContact CE3-CB 4.22Å; W263-P354 HydrophobicContact CH2-CB 4.11Å; W263-P354 HydrophobicContact CH2-CG 4.19Å; W263-P354 HydrophobicContact CZ2-CB 4.16Å; W263-P354 HydrophobicContact CZ3-CB 4.15Å; W263-P354 HydrophobicContact CZ3-CG 4.16Å; P354-L362 HydrophobicContact CB-CB 4.22Å; P354-L362 HydrophobicContact CG-CB 4.17Å; P354-L362 PolarHBondContact O-N 3.03Å; P354-C363 HydrophobicContact CG-CB 4.38Å; P354-Y388 HydrophobicContact CG-CE2 4.17Å
355M93.4Very high93.8Very high6 Ų630.6 Ų30.63%0.0315%0.149CC..EExtended strand (participates in β ladder)trans-110.4134.3178.3-178.1173.3-82.800110.8S261 R262 V264 Y269 L353 K360 L361S261-M355 WeakPolarHBondContact CB-O 3.27Å; S261-M355 PolarHBondContact N-O 3.46Å; R262-M355 PolarHBondContact N-O 3.36Å; R262-M355 PolarHBondContact O-N 3.41Å; V264-M355 HydrophobicContact CG1-CB 3.98Å; V264-M355 HydrophobicContact CG1-CE 4.34Å; V264-M355 HydrophobicContact CG1-SD 3.94Å; V264-M355 HydrophobicContact CG2-CB 4Å; V264-M355 HydrophobicContact CG2-CE 3.8Å; V264-M355 HydrophobicContact CG2-SD 4.39Å; Y269-M355 HydrophobicContact CD1-CE 3.99Å; Y269-M355 HydrophobicContact CD2-CE 3.7Å; Y269-M355 HydrophobicContact CE2-CE 4.24Å; Y269-M355 HydrophobicContact CG-CE 3.57Å; L353-M355 PolarHBondContact O-N 2.78Å; M355-K360 CarbonylContact C-O 3.54Å; M355-K360 WeakPolarHBondContact CA-O 3.45Å; M355-L361 HydrophobicContact CE-CD2 4.44Å
356G92.7Very high93.3Very high2 Ų231 Ų312%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-77165.8178.200000113.2L259 S261 D358 G359 K360L259-G356 CarbonylContact O-C 3.51Å; L259-G356 VanDerWaalsContact O-CA 3.25Å; L259-G356 WeakPolarHBondContact O-CA 3.49Å; S261-G356 WeakPolarHBondContact CB-O 3.44Å; G356-D358 PolarHBondContact O-N 3.5Å; G356-G359 PolarHBondContact O-N 3.16Å; G356-K360 PolarHBondContact N-O 3.18Å
357K91.6Very high92.5Very high154 Ų15431.3 Ų31.367%0.6716%0.155SC*.THydrogen-bonded Turntrans-60.6-23.3174.4-68.5164.2-177.5167.30113.4S258 L259 L260 G359S258-K357 PolarHBondContact O-NZ 2.97Å; L259-K357 WeakPolarHBondContact O-CG 3.14Å; L259-K357 PolarHBondContact O-N 3.09Å; L260-K357 WeakPolarHBondContact O-CE 3.41Å; K357-G359 VanDerWaalsContact C-N 3.27Å
358D87.4Confident91.5Very high103 Ų10331.8 Ų31.855%0.55116%0.158SC*.THydrogen-bonded Turntrans-83.71.7175.370.1-20.6000113.5G356 K360G356-D358 PolarHBondContact O-N 3.5Å; D358-K360 VanDerWaalsContact C-N 3.3Å; D358-K360 PolarHBondContact O-N 3.23Å; D358-K360 PolarHBondContact OD1-N 3.16Å; D358-K360 VanDerWaalsContact OD1-N 3.08Å; D358-K360 VanDerWaalsContact OD2-CD 3.3Å; D358-K360 WeakPolarHBondContact OD2-CD 3.43Å; D358-K360 WeakPolarHBondContact OD2-CG 3.31Å
359G85.5Confident90.3Very high32 Ų3235 Ų3533%0.3317%0.172SC..SBendtrans79.16.8-178.700000114.5G356 K357G356-G359 PolarHBondContact O-N 3.16Å; K357-G359 VanDerWaalsContact C-N 3.27Å
360K87.4Confident89.5Confident119 Ų11936.7 Ų36.752%0.51718%0.181SC..SBendtrans-95.8155.7176.6-60.1-176.1-165.6168.80111.3M355 G356 D358M355-K360 CarbonylContact C-O 3.54Å; M355-K360 WeakPolarHBondContact CA-O 3.45Å; G356-K360 PolarHBondContact N-O 3.18Å; D358-K360 VanDerWaalsContact C-N 3.3Å; D358-K360 PolarHBondContact O-N 3.23Å; D358-K360 PolarHBondContact OD1-N 3.16Å; D358-K360 VanDerWaalsContact OD1-N 3.08Å; D358-K360 VanDerWaalsContact OD2-CD 3.3Å; D358-K360 WeakPolarHBondContact OD2-CD 3.43Å; D358-K360 WeakPolarHBondContact OD2-CG 3.31Å
361L91.7Very high89.1Confident18 Ų1837 Ų379%0.09418%0.183CC..BIsolated β-bridgetrans-68.2139171.9-65.7176.8000110.4V264 Y269 L353 M355V264-L361 HydrophobicContact CG2-CD2 4.39Å; Y269-L361 HydrophobicContact CE2-CD2 4.48Å; L353-L361 HydrophobicContact CB-CD2 3.86Å; L353-L361 HydrophobicContact CD1-CD1 4.11Å; L353-L361 HydrophobicContact CD1-CD2 4.37Å; M355-L361 HydrophobicContact CE-CD2 4.44Å
362L93.2Very high89Confident6 Ų636.9 Ų36.93%0.03118%0.182CC..SBendtrans-91.211.8174.1-61.8179000112.4Q256 L259 L260 V288 P354Q256-L362 HydrophobicContact CB-CD1 4.45Å; Q256-L362 HydrophobicContact CG-CB 4.3Å; Q256-L362 PolarHBondContact NE2-O 2.82Å; Q256-L362 WeakPolarHBondContact O-CD1 3.1Å; L259-L362 HydrophobicContact CB-CD1 4.11Å; L259-L362 HydrophobicContact CB-CD2 3.93Å; L259-L362 HydrophobicContact CD1-CD2 4.33Å; L260-L362 HydrophobicContact CB-CD1 4.22Å; L260-L362 HydrophobicContact CD1-CD1 4.14Å; V288-L362 HydrophobicContact CG2-CD2 4.35Å; P354-L362 HydrophobicContact CB-CB 4.22Å; P354-L362 HydrophobicContact CG-CB 4.17Å; P354-L362 PolarHBondContact O-N 3.03Å
363C93Very high88.9Confident0 Ų034.9 Ų34.90%017%0.173CC..SBendtrans-116.5172.1171.267.70000108.5T287 P354 E378 Y388T287-C363 VanDerWaalsContact OG1-C 3.28Å; T287-C363 PolarHBondContact OG1-O 2.88Å; P354-C363 HydrophobicContact CG-CB 4.38Å; C363-E378 WeakPolarHBondContact CB-OE2 3.48Å; C363-Y388 HydrophobicContact CB-CE1 3.68Å
364C91.7Very high88.8Confident0 Ų034.8 Ų34.80%017%0.173CC..  trans-59.5147168.8-67.30000110.8C285 V289 V295 V374 S375 E378C285-C364 WeakPolarHBondContact O-CA 3.35Å; V289-C364 VanDerWaalsContact CG2-SG 3.52Å; V295-C364 WeakPolarHBondContact CG2-SG 3.49Å; C364-V374 HydrophobicContact CB-CG1 3.88Å; C364-S375 WeakPolarHBondContact O-CA 3.29Å; C364-S375 WeakPolarHBondContact O-CB 3.33Å; C364-S375 PolarHBondContact O-OG 3.34Å; C364-E378 WeakPolarHBondContact CA-OE2 3.12Å; C364-E378 VanDerWaalsContact CB-OE2 3.32Å; C364-E378 WeakPolarHBondContact CB-OE2 3.04Å; C364-E378 PolarHBondContact N-OE2 3.41Å; C364-E378 PolarHBondContact SG-OE1 3.12Å
365Y89.6Confident88.8Confident74 Ų7434.9 Ų34.929%0.2917%0.174SC..EExtended strand (participates in β ladder)trans-146.4162.4-179.468.9-88000110.7C285 T287C285-Y365 HydrophobicContact CB-CE1 4.33Å; C285-Y365 HydrophobicContact CB-CE2 4.41Å; C285-Y365 PolarHBondContact N-O 3.46Å; C285-Y365 PolarHBondContact O-N 3.48Å; T287-Y365 HydrophobicContact CG2-CD1 3.53Å; T287-Y365 HydrophobicContact CG2-CE1 3.25Å
366S87.7Confident89Confident9 Ų934.6 Ų34.66%0.06317%0.172CC..EExtended strand (participates in β ladder)trans-87.9131.5169.1179.50000110.1S283 N368 E371S283-S366 VanDerWaalsContact CB-OG 3.26Å; S283-S366 WeakPolarHBondContact CB-OG 3.42Å; S283-S366 CarbonylContact O-C 3.51Å; S283-S366 WeakPolarHBondContact O-CA 3.5Å; S283-S366 PolarHBondContact OG-OG 2.95Å; S366-N368 PolarHBondContact O-N 2.9Å; S366-N368 WeakPolarHBondContact OG-CB 3.3Å; S366-N368 PolarHBondContact OG-N 3.16Å; S366-N368 VanDerWaalsContact OG-N 3.14Å; S366-E371 WeakPolarHBondContact CB-OE2 3.44Å; S366-E371 PolarHBondContact OG-OE2 3.09Å
367N78.2Confident89.2Confident54 Ų5434.6 Ų34.629%0.28917%0.172SC..SBendtrans-70.9-5.1171.869.225.1000113.2F282 S283F282-N367 PolarHBondContact O-ND2 3.44Å; F282-N367 VanDerWaalsContact O-ND2 3.08Å; S283-N367 VanDerWaalsContact CA-OD1 3.23Å; S283-N367 WeakPolarHBondContact CA-OD1 3.49Å; S283-N367 WeakPolarHBondContact CB-OD1 3.16Å; S283-N367 PolarHBondContact O-N 3.33Å
368N76.7Confident89.4Confident11 Ų1127.3 Ų27.36%0.05914%0.14CC..SBendtrans-71.6124.9164.7-64.7-29.4000109.1F32 L277 S283 S366 N370 E371F32-N368 WeakPolarHBondContact CD1-OD1 3.45Å; F32-N368 WeakPolarHBondContact CD2-OD1 3.5Å; F32-N368 VanDerWaalsContact CE1-OD1 3.28Å; F32-N368 WeakPolarHBondContact CE1-OD1 3.34Å; F32-N368 WeakPolarHBondContact CE2-OD1 3.47Å; F32-N368 WeakPolarHBondContact CG-OD1 3.36Å; F32-N368 WeakPolarHBondContact CZ-ND2 3.41Å; F32-N368 WeakPolarHBondContact CZ-OD1 3.37Å; L277-N368 HydrophobicContact CD1-CB 4.16Å; S283-N368 WeakPolarHBondContact CB-ND2 3.47Å; S366-N368 PolarHBondContact O-N 2.9Å; S366-N368 WeakPolarHBondContact OG-CB 3.3Å; S366-N368 PolarHBondContact OG-N 3.16Å; S366-N368 VanDerWaalsContact OG-N 3.14Å; N368-N370 PolarHBondContact O-N 3.43Å; N368-E371 HydrophobicContact CB-CB 3.97Å; N368-E371 PolarHBondContact ND2-OE2 3.12Å; N368-E371 PolarHBondContact O-N 3.29Å
369Q72.7Confident89.9Confident97 Ų9722.8 Ų22.845%0.45312%0.115SC..THydrogen-bonded Turntrans-57.7129.8-177.8-166177.234.500110.2L277 E371L277-Q369 WeakPolarHBondContact CD1-O 3.47Å; Q369-E371 VanDerWaalsContact C-N 3.33Å; Q369-E371 PolarHBondContact O-N 3.06Å
370N82Confident90.5Very high36 Ų3621.2 Ų21.219%0.19310%0.1CC..THydrogen-bonded Turntrans73.47175.1-49.1-21.9000116.8I270 S271 K274 N368I270-N370 HydrophobicContact CG2-CB 3.45Å; I270-N370 VanDerWaalsContact CG2-CB 3.45Å; I270-N370 WeakPolarHBondContact CG2-OD1 3.48Å; S271-N370 PolarHBondContact O-ND2 3.43Å; K274-N370 PolarHBondContact N-O 3.25Å; K274-N370 VanDerWaalsContact O-O 3.05Å; N368-N370 PolarHBondContact O-N 3.43Å
371E89.6Confident91Very high9 Ų915.6 Ų15.64%0.0428%0.075CC..BIsolated β-bridgetrans-87.1130-178.3-177.8170.4-116.600113K274 L277 A278 S366 N368 Q369 W373K274-E371 WeakPolarHBondContact O-CA 3.21Å; L277-E371 WeakPolarHBondContact CA-OE1 3.42Å; L277-E371 HydrophobicContact CD1-CB 4.33Å; L277-E371 HydrophobicContact CG-CB 4.48Å; L277-E371 PolarHBondContact N-OE1 3.05Å; A278-E371 PolarHBondContact N-OE1 2.77Å; S366-E371 WeakPolarHBondContact CB-OE2 3.44Å; S366-E371 PolarHBondContact OG-OE2 3.09Å; N368-E371 HydrophobicContact CB-CB 3.97Å; N368-E371 PolarHBondContact ND2-OE2 3.12Å; N368-E371 PolarHBondContact O-N 3.29Å; Q369-E371 VanDerWaalsContact C-N 3.33Å; Q369-E371 PolarHBondContact O-N 3.06Å; E371-W373 VanDerWaalsContact CD-CD1 3.42Å; E371-W373 PolarHBondContact OE1-NE1 3.28Å; E371-W373 PolarHBondContact OE2-NE1 2.85Å
372L94.8Very high91.2Very high1 Ų114.9 Ų14.91%0.0057%0.071CC..  trans-109-22.4-167-63.4177.4000116P266 I270 P273 K274 M275 Y328 V374 S375 L376P266-L372 HydrophobicContact CB-CD1 3.92Å; P266-L372 HydrophobicContact CB-CD2 4.02Å; P266-L372 HydrophobicContact CG-CD1 3.64Å; P266-L372 HydrophobicContact CG-CD2 3.75Å; P266-L372 HydrophobicContact CG-CG 4.36Å; I270-L372 HydrophobicContact CD1-CD2 3.84Å; P273-L372 HydrophobicContact CB-CD1 3.9Å; K274-L372 PolarHBondContact O-N 3.37Å; M275-L372 PolarHBondContact O-N 3.35Å; M275-L372 HydrophobicContact SD-CB 4.43Å; Y328-L372 HydrophobicContact CD2-CD1 3.6Å; Y328-L372 HydrophobicContact CE2-CD1 3.88Å; L372-V374 VanDerWaalsContact C-N 3.28Å; L372-V374 PolarHBondContact O-N 2.82Å; L372-S375 PolarHBondContact O-N 3.01Å; L372-L376 HydrophobicContact CB-CD1 3.99Å; L372-L376 HydrophobicContact CB-CG 4.39Å; L372-L376 PolarHBondContact O-N 2.8Å
373W95.2Very high91.4Very high0 Ų014.8 Ų14.80%07%0.071CC..Hα-helixtrans-58.3-36.6-167.371.4-91.4000114.1M275 I276 I284 A302 I313 I317 E371 L376 L377M275-W373 HydrophobicContact CE-CB 3.95Å; M275-W373 WeakPolarHBondContact O-CB 3.45Å; M275-W373 PolarHBondContact O-N 2.95Å; M275-W373 VanDerWaalsContact O-N 3.08Å; I276-W373 HydrophobicContact CD1-CB 4.47Å; I276-W373 HydrophobicContact CG1-CB 3.91Å; I276-W373 HydrophobicContact CG1-CG 4.02Å; I284-W373 HydrophobicContact CD1-CH2 3.54Å; I284-W373 HydrophobicContact CD1-CZ2 4.12Å; I284-W373 HydrophobicContact CD1-CZ3 4.48Å; I284-W373 HydrophobicContact CG1-CH2 4.04Å; I284-W373 HydrophobicContact CG1-CZ2 4.13Å; A302-W373 HydrophobicContact CB-CH2 3.94Å; A302-W373 HydrophobicContact CB-CZ2 4.42Å; I313-W373 HydrophobicContact CG1-CZ3 4.02Å; I317-W373 HydrophobicContact CD1-CB 3.93Å; E371-W373 VanDerWaalsContact CD-CD1 3.42Å; E371-W373 PolarHBondContact OE1-NE1 3.28Å; E371-W373 PolarHBondContact OE2-NE1 2.85Å; W373-L376 PolarHBondContact O-N 3.18Å; W373-L377 HydrophobicContact CE3-CD1 3.62Å; W373-L377 HydrophobicContact CE3-CG 4.45Å; W373-L377 HydrophobicContact CZ3-CD1 3.86Å; W373-L377 WeakPolarHBondContact O-CB 3.29Å; W373-L377 WeakPolarHBondContact O-CG 3.24Å; W373-L377 PolarHBondContact O-N 2.69Å
374V94.8Very high91.6Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-60.4-51.2178.7179.60000110.8I284 M298 C364 L372 E378I284-V374 HydrophobicContact CG1-CG2 4Å; I284-V374 HydrophobicContact CG2-CG1 4.02Å; M298-V374 HydrophobicContact CE-CG1 3.99Å; C364-V374 HydrophobicContact CB-CG1 3.88Å; L372-V374 VanDerWaalsContact C-N 3.28Å; L372-V374 PolarHBondContact O-N 2.82Å; V374-E378 PolarHBondContact O-N 2.73Å; V374-E378 VanDerWaalsContact O-N 3.11Å
375S95.3Very high91.8Very high1 Ų115.2 Ų15.21%0.0077%0.073CC..Hα-helixtrans-68.9-35.9-177.5-520000112C364 L372 K379C364-S375 WeakPolarHBondContact O-CA 3.29Å; C364-S375 WeakPolarHBondContact O-CB 3.33Å; C364-S375 PolarHBondContact O-OG 3.34Å; L372-S375 PolarHBondContact O-N 3.01Å; S375-K379 VanDerWaalsContact O-CB 3.27Å; S375-K379 WeakPolarHBondContact O-CB 3.34Å; S375-K379 PolarHBondContact O-N 2.63Å
376L97.4Very high92Very high1 Ų112.1 Ų12.11%0.0056%0.064CC..Hα-helixtrans-73-38.7179-67.2177.3000112.4M275 Y334 I349 D351 L372 W373 K379 A380M275-L376 HydrophobicContact CE-CD1 3.9Å; M275-L376 HydrophobicContact SD-CD1 3.81Å; Y334-L376 HydrophobicContact CD1-CD1 4.03Å; Y334-L376 HydrophobicContact CD2-CD1 3.95Å; Y334-L376 HydrophobicContact CD2-CD2 4.3Å; Y334-L376 HydrophobicContact CE1-CD1 3.82Å; Y334-L376 HydrophobicContact CE2-CD1 3.76Å; Y334-L376 HydrophobicContact CE2-CD2 4.47Å; Y334-L376 HydrophobicContact CG-CD1 4.08Å; I349-L376 HydrophobicContact CD1-CB 4.21Å; I349-L376 HydrophobicContact CD1-CD2 4.17Å; I349-L376 VanDerWaalsContact CD1-O 3.24Å; I349-L376 WeakPolarHBondContact CD1-O 3.17Å; D351-L376 HydrophobicContact CB-CD2 4.26Å; L372-L376 HydrophobicContact CB-CD1 3.99Å; L372-L376 HydrophobicContact CB-CG 4.39Å; L372-L376 PolarHBondContact O-N 2.8Å; W373-L376 PolarHBondContact O-N 3.18Å; L376-K379 PolarHBondContact O-N 2.81Å; L376-A380 PolarHBondContact O-N 2.75Å
377L97.3Very high92.4Very high1 Ų111.7 Ų11.71%0.0056%0.061CC..Hα-helixtrans-64.8-46.5174.5-80.3-175.6000112M298 I313 V316 I317 V336 W373 K379 A380 Y381M298-L377 HydrophobicContact SD-CB 3.93Å; M298-L377 HydrophobicContact SD-CD1 4.33Å; I313-L377 HydrophobicContact CD1-CD1 3.64Å; I313-L377 HydrophobicContact CG1-CD1 3.62Å; V316-L377 HydrophobicContact CG2-CD2 4.01Å; I317-L377 HydrophobicContact CD1-CD1 4.07Å; I317-L377 HydrophobicContact CD1-CD2 3.84Å; I317-L377 HydrophobicContact CD1-CG 3.75Å; I317-L377 HydrophobicContact CG1-CD2 3.63Å; I317-L377 HydrophobicContact CG1-CG 4.14Å; V336-L377 HydrophobicContact CG1-CD2 3.57Å; V336-L377 HydrophobicContact CG2-CD2 4.31Å; W373-L377 HydrophobicContact CE3-CD1 3.62Å; W373-L377 HydrophobicContact CE3-CG 4.45Å; W373-L377 HydrophobicContact CZ3-CD1 3.86Å; W373-L377 WeakPolarHBondContact O-CB 3.29Å; W373-L377 WeakPolarHBondContact O-CG 3.24Å; W373-L377 PolarHBondContact O-N 2.69Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 2.92Å; L377-A380 PolarHBondContact O-N 2.84Å; L377-Y381 PolarHBondContact O-N 3.34Å
378E96.5Very high93.2Very high2 Ų29.2 Ų9.21%0.0095%0.047CC..Hα-helixtrans-59.5-44.9174.7-175.9-170.1-142.900111V289 F294 M298 C363 C364 V374 A380 Y381 M382 Y388V289-E378 WeakPolarHBondContact CG1-OE1 3.39Å; V289-E378 WeakPolarHBondContact CG2-OE1 3.34Å; F294-E378 HydrophobicContact CD1-CB 4.49Å; F294-E378 HydrophobicContact CD1-CG 4.41Å; F294-E378 VanDerWaalsContact CE1-CA 3.5Å; F294-E378 HydrophobicContact CE1-CB 3.97Å; F294-E378 HydrophobicContact CE1-CG 4.35Å; M298-E378 HydrophobicContact CE-CB 4.48Å; C363-E378 WeakPolarHBondContact CB-OE2 3.48Å; C364-E378 WeakPolarHBondContact CA-OE2 3.12Å; C364-E378 VanDerWaalsContact CB-OE2 3.32Å; C364-E378 WeakPolarHBondContact CB-OE2 3.04Å; C364-E378 PolarHBondContact N-OE2 3.41Å; C364-E378 PolarHBondContact SG-OE1 3.12Å; V374-E378 PolarHBondContact O-N 2.73Å; V374-E378 VanDerWaalsContact O-N 3.11Å; E378-A380 VanDerWaalsContact C-N 3.32Å; E378-A380 PolarHBondContact O-N 2.97Å; E378-Y381 PolarHBondContact O-N 2.9Å; E378-M382 HydrophobicContact CG-CG 3.96Å; E378-M382 WeakPolarHBondContact O-CB 3.17Å; E378-M382 VanDerWaalsContact O-CG 3.24Å; E378-M382 WeakPolarHBondContact O-CG 3.36Å; E378-M382 PolarHBondContact O-N 3.3Å; E378-Y388 HydrophobicContact CG-CE1 4.21Å
379K97.5Very high93.9Very high7 Ų711.2 Ų11.23%0.036%0.058CC..Hα-helixtrans-57.1-45.3175.8-177.9177.8178.4174.60112.3L250 I349 D350 F352 L353 S375 L376 L377 Y381 K383L250-K379 HydrophobicContact CD1-CG 3.89Å; I349-K379 HydrophobicContact CB-CD 4.44Å; I349-K379 HydrophobicContact CD1-CB 4.3Å; I349-K379 HydrophobicContact CD1-CD 4.24Å; I349-K379 HydrophobicContact CD1-CG 4.34Å; I349-K379 HydrophobicContact CG2-CG 4.44Å; D350-K379 VanDerWaalsContact C-NZ 3.3Å; D350-K379 WeakPolarHBondContact O-CE 3.27Å; D350-K379 PolarHBondContact O-NZ 3.19Å; D350-K379 IonicContact OD1-NZ 3.41Å; D350-K379 PolarHBondContact OD1-NZ 3.47Å; F352-K379 WeakPolarHBondContact O-CE 3.48Å; F352-K379 PolarHBondContact O-NZ 3.01Å; L353-K379 HydrophobicContact CD2-CB 4.48Å; L353-K379 HydrophobicContact CD2-CD 4.15Å; S375-K379 VanDerWaalsContact O-CB 3.27Å; S375-K379 WeakPolarHBondContact O-CB 3.34Å; S375-K379 PolarHBondContact O-N 2.63Å; L376-K379 PolarHBondContact O-N 2.81Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 2.92Å; K379-Y381 VanDerWaalsContact C-N 3.34Å; K379-Y381 PolarHBondContact O-N 3.46Å; K379-K383 VanDerWaalsContact O-CB 3.27Å; K379-K383 WeakPolarHBondContact O-CB 3.27Å; K379-K383 PolarHBondContact O-N 3.25Å
380A98.3Very high94.8Very high0 Ų06.6 Ų6.60%04%0.036CC..Hα-helixtrans-61-44.4177.500000111.5V336 L338 V347 I349 L376 L377 E378 K383 V384V336-A380 HydrophobicContact CB-CB 3.65Å; V336-A380 HydrophobicContact CG1-CB 4.06Å; V336-A380 HydrophobicContact CG2-CB 3.57Å; L338-A380 HydrophobicContact CD1-CB 4.29Å; V347-A380 HydrophobicContact CG1-CB 3.99Å; I349-A380 HydrophobicContact CD1-CB 4.17Å; I349-A380 HydrophobicContact CG2-CB 4.22Å; L376-A380 PolarHBondContact O-N 2.75Å; L377-A380 PolarHBondContact O-N 2.84Å; E378-A380 VanDerWaalsContact C-N 3.32Å; E378-A380 PolarHBondContact O-N 2.97Å; A380-K383 WeakPolarHBondContact O-CB 3.14Å; A380-K383 PolarHBondContact O-N 3.01Å; A380-V384 PolarHBondContact O-N 2.93Å
381Y97.5Very high95.1Very high0 Ų08.6 Ų8.60%05%0.051CC..Hα-helixtrans-64.6-49.5178-169.3-107.1000112D291 F294 L338 F340 L377 E378 K379 K383 V384 M385 D398 A401D291-Y381 WeakPolarHBondContact OD2-CE1 3.49Å; F294-Y381 HydrophobicContact CB-CD1 4.16Å; F294-Y381 HydrophobicContact CB-CE1 4.07Å; F294-Y381 HydrophobicContact CD1-CD1 4.18Å; F294-Y381 AromaticContact CD2-CD1 3.25Å; F294-Y381 HydrophobicContact CD2-CD1 3.25Å; F294-Y381 AromaticContact CD2-CD2 3.74Å; F294-Y381 HydrophobicContact CD2-CD2 3.74Å; F294-Y381 AromaticContact CD2-CE1 3.51Å; F294-Y381 HydrophobicContact CD2-CE1 3.51Å; F294-Y381 AromaticContact CD2-CE2 3.96Å; F294-Y381 HydrophobicContact CD2-CE2 3.96Å; F294-Y381 AromaticContact CD2-CG 3.41Å; F294-Y381 HydrophobicContact CD2-CG 3.41Å; F294-Y381 VanDerWaalsContact CD2-CG 3.41Å; F294-Y381 AromaticContact CD2-CZ 3.87Å; F294-Y381 HydrophobicContact CE1-CD1 4.47Å; F294-Y381 HydrophobicContact CE1-CG 4.39Å; F294-Y381 VanDerWaalsContact CE2-CB 3.46Å; F294-Y381 AromaticContact CE2-CD1 3.59Å; F294-Y381 HydrophobicContact CE2-CD1 3.59Å; F294-Y381 AromaticContact CE2-CD2 3.43Å; F294-Y381 HydrophobicContact CE2-CD2 3.43Å; F294-Y381 VanDerWaalsContact CE2-CD2 3.43Å; F294-Y381 HydrophobicContact CE2-CE1 4.2Å; F294-Y381 HydrophobicContact CE2-CE2 4.05Å; F294-Y381 AromaticContact CE2-CG 3.19Å; F294-Y381 HydrophobicContact CE2-CG 3.19Å; F294-Y381 AromaticContact CG-CD1 3.59Å; F294-Y381 HydrophobicContact CG-CD1 3.59Å; F294-Y381 AromaticContact CG-CE1 3.92Å; F294-Y381 HydrophobicContact CG-CE1 3.92Å; F294-Y381 HydrophobicContact CG-CG 4.1Å; F294-Y381 VanDerWaalsContact CZ-CB 3.44Å; F294-Y381 HydrophobicContact CZ-CD1 4.2Å; F294-Y381 HydrophobicContact CZ-CD2 4.29Å; F294-Y381 AromaticContact CZ-CG 3.75Å; F294-Y381 HydrophobicContact CZ-CG 3.75Å; L338-Y381 HydrophobicContact CD1-CD2 4.28Å; F340-Y381 HydrophobicContact CE1-CD2 4.46Å; F340-Y381 AromaticContact CE1-CE2 3.85Å; F340-Y381 HydrophobicContact CE1-CE2 3.85Å; F340-Y381 AromaticContact CZ-CD2 3.63Å; F340-Y381 HydrophobicContact CZ-CD2 3.63Å; F340-Y381 AromaticContact CZ-CE2 3.46Å; F340-Y381 HydrophobicContact CZ-CE2 3.46Å; F340-Y381 VanDerWaalsContact CZ-CE2 3.46Å; L377-Y381 PolarHBondContact O-N 3.34Å; E378-Y381 PolarHBondContact O-N 2.9Å; K379-Y381 VanDerWaalsContact C-N 3.34Å; K379-Y381 PolarHBondContact O-N 3.46Å; Y381-K383 PolarHBondContact O-N 3.36Å; Y381-V384 PolarHBondContact O-N 3.39Å; Y381-M385 HydrophobicContact CD1-CG 4.16Å; Y381-M385 HydrophobicContact CE1-CE 4.14Å; Y381-M385 HydrophobicContact CE1-CG 3.86Å; Y381-M385 HydrophobicContact CE2-CE 3.74Å; Y381-M385 VanDerWaalsContact CZ-CE 3.44Å; Y381-M385 WeakPolarHBondContact O-CG 3.26Å; Y381-M385 PolarHBondContact O-N 2.94Å; Y381-M385 WeakPolarHBondContact OH-CE 3.47Å; Y381-D398 PolarHBondContact OH-OD1 3.03Å; Y381-A401 HydrophobicContact CD2-CB 4.45Å; Y381-A401 HydrophobicContact CE2-CB 3.76Å
382M96.6Very high95.1Very high3 Ų39 Ų92%0.0156%0.058CC..Hα-helixtrans-61.4-31.9176.5-68.2-65.2103.100112.4L250 D291 E378 M385 G386 G387 Y388 F390L250-M382 HydrophobicContact CD1-CB 4.06Å; D291-M382 HydrophobicContact CB-CE 4.15Å; D291-M382 WeakPolarHBondContact OD2-CE 3.4Å; E378-M382 HydrophobicContact CG-CG 3.96Å; E378-M382 WeakPolarHBondContact O-CB 3.17Å; E378-M382 VanDerWaalsContact O-CG 3.24Å; E378-M382 WeakPolarHBondContact O-CG 3.36Å; E378-M382 PolarHBondContact O-N 3.3Å; M382-M385 HydrophobicContact CE-CB 4.5Å; M382-M385 CarbonylContact O-C 3.24Å; M382-M385 PolarHBondContact O-N 3.44Å; M382-G386 CarbonylContact O-C 3.56Å; M382-G386 PolarHBondContact O-N 3.29Å; M382-G386 VanDerWaalsContact O-N 3.12Å; M382-G387 WeakPolarHBondContact O-CA 3.46Å; M382-G387 PolarHBondContact O-N 2.97Å; M382-Y388 HydrophobicContact CB-CD1 4.17Å; M382-Y388 HydrophobicContact CB-CE1 4.28Å; M382-Y388 HydrophobicContact CB-CG 4.45Å; M382-Y388 HydrophobicContact CG-CD1 3.68Å; M382-Y388 HydrophobicContact CG-CE1 3.86Å; M382-Y388 HydrophobicContact CG-CG 4.36Å; M382-Y388 HydrophobicContact SD-CD1 4.38Å; M382-F390 HydrophobicContact CE-CB 4.37Å; M382-F390 HydrophobicContact CE-CD1 3.86Å; M382-F390 HydrophobicContact CE-CG 4.45Å; M382-F390 HydrophobicContact SD-CB 4Å
383K97.7Very high94.9Very high5 Ų510 Ų102%0.0227%0.065CC..Hα-helixtrans-61.7-46.6172.9-176.1178.8172173.60110.8R222 Y224 D245 D247 L250 V347 I348 I349 K379 A380 Y381 M385 G386R222-K383 PolarHBondContact NH1-O 2.98Å; Y224-K383 WeakPolarHBondContact OH-CG 2.94Å; Y224-K383 PolarHBondContact OH-O 2.9Å; Y224-K383 VanDerWaalsContact OH-O 3.05Å; D245-K383 IonicContact OD1-NZ 3.4Å; D245-K383 PolarHBondContact OD1-NZ 2.69Å; D245-K383 WeakPolarHBondContact OD2-CE 3.46Å; D245-K383 IonicContact OD2-NZ 2.62Å; D245-K383 PolarHBondContact OD2-NZ 3.28Å; D247-K383 WeakPolarHBondContact OD2-CE 3.44Å; D247-K383 IonicContact OD2-NZ 3.03Å; D247-K383 PolarHBondContact OD2-NZ 3.1Å; L250-K383 HydrophobicContact CD1-CB 4.13Å; L250-K383 HydrophobicContact CD2-CB 3.83Å; L250-K383 HydrophobicContact CD2-CG 3.88Å; V347-K383 HydrophobicContact CG1-CD 4.4Å; I348-K383 PolarHBondContact O-NZ 3.41Å; I349-K383 HydrophobicContact CG2-CB 4.44Å; I349-K383 HydrophobicContact CG2-CD 3.76Å; K379-K383 VanDerWaalsContact O-CB 3.27Å; K379-K383 WeakPolarHBondContact O-CB 3.27Å; K379-K383 PolarHBondContact O-N 3.25Å; A380-K383 WeakPolarHBondContact O-CB 3.14Å; A380-K383 PolarHBondContact O-N 3.01Å; Y381-K383 PolarHBondContact O-N 3.36Å; K383-M385 VanDerWaalsContact C-N 3.33Å; K383-G386 PolarHBondContact O-N 3.39Å
384V97.3Very high94.8Very high2 Ų213 Ų131%0.0128%0.081CC..Hα-helixtrans-65-39.7176.21800000111I219 N220 Y224 F340 V347 A380 Y381 G386I219-V384 HydrophobicContact CD1-CG1 4.2Å; I219-V384 HydrophobicContact CG2-CG1 4.1Å; N220-V384 PolarHBondContact ND2-O 3.14Å; Y224-V384 HydrophobicContact CD1-CG2 4.18Å; Y224-V384 HydrophobicContact CE1-CG2 3.81Å; Y224-V384 HydrophobicContact CE2-CB 4.5Å; Y224-V384 HydrophobicContact CE2-CG1 4.38Å; Y224-V384 HydrophobicContact CE2-CG2 4.26Å; F340-V384 HydrophobicContact CD1-CG1 4.29Å; F340-V384 HydrophobicContact CD2-CB 4.47Å; F340-V384 HydrophobicContact CD2-CG1 3.83Å; F340-V384 HydrophobicContact CD2-CG2 4.27Å; F340-V384 HydrophobicContact CE1-CG1 4.15Å; F340-V384 HydrophobicContact CE2-CB 3.85Å; F340-V384 HydrophobicContact CE2-CG1 3.61Å; F340-V384 HydrophobicContact CE2-CG2 3.75Å; F340-V384 HydrophobicContact CG-CG1 4.13Å; F340-V384 HydrophobicContact CZ-CB 4.03Å; F340-V384 HydrophobicContact CZ-CG1 3.77Å; F340-V384 HydrophobicContact CZ-CG2 4.41Å; V347-V384 HydrophobicContact CG1-CG2 4.12Å; V347-V384 HydrophobicContact CG2-CG2 3.61Å; A380-V384 PolarHBondContact O-N 2.93Å; Y381-V384 PolarHBondContact O-N 3.39Å; V384-G386 PolarHBondContact O-N 3.3Å; V384-G386 VanDerWaalsContact O-N 3.16Å
385M95.2Very high94.8Very high7 Ų713 Ų133%0.0348%0.081CC..THydrogen-bonded Turntrans-75.34.9178.6-64.5-59.616300114.7N220 F340 Y381 M382 K383 G387 F390 K597 F600N220-M385 VanDerWaalsContact ND2-C 3.28Å; F340-M385 HydrophobicContact CD1-CE 4.32Å; F340-M385 HydrophobicContact CE1-CE 3.35Å; F340-M385 HydrophobicContact CZ-CE 3.87Å; Y381-M385 HydrophobicContact CD1-CG 4.16Å; Y381-M385 HydrophobicContact CE1-CE 4.14Å; Y381-M385 HydrophobicContact CE1-CG 3.86Å; Y381-M385 HydrophobicContact CE2-CE 3.74Å; Y381-M385 VanDerWaalsContact CZ-CE 3.44Å; Y381-M385 WeakPolarHBondContact O-CG 3.26Å; Y381-M385 PolarHBondContact O-N 2.94Å; Y381-M385 WeakPolarHBondContact OH-CE 3.47Å; M382-M385 HydrophobicContact CE-CB 4.5Å; M382-M385 CarbonylContact O-C 3.24Å; M382-M385 PolarHBondContact O-N 3.44Å; K383-M385 VanDerWaalsContact C-N 3.33Å; M385-G387 PolarHBondContact O-N 3.34Å; M385-F390 HydrophobicContact CB-CB 4.11Å; M385-F390 HydrophobicContact CB-CD1 4.19Å; M385-F390 HydrophobicContact CB-CD2 3.68Å; M385-F390 HydrophobicContact CB-CE2 4.13Å; M385-F390 HydrophobicContact CB-CG 3.74Å; M385-F390 HydrophobicContact CG-CD1 4.28Å; M385-F390 HydrophobicContact CG-CD2 4.22Å; M385-F390 HydrophobicContact CG-CE1 4.22Å; M385-F390 HydrophobicContact CG-CE2 4.21Å; M385-F390 HydrophobicContact CG-CG 4.28Å; M385-F390 HydrophobicContact CG-CZ 4.2Å; M385-F390 HydrophobicContact SD-CD2 4.35Å; M385-F390 HydrophobicContact SD-CE1 4.43Å; M385-F390 HydrophobicContact SD-CE2 3.83Å; M385-F390 HydrophobicContact SD-CZ 3.87Å; M385-K597 WeakPolarHBondContact O-CD 3.44Å; M385-F600 HydrophobicContact CE-CZ 4.32Å; M385-F600 HydrophobicContact SD-CE2 3.98Å; M385-F600 HydrophobicContact SD-CZ 4.2Å
386G94.2Very high94.8Very high9 Ų913.2 Ų13.29%0.0938%0.082CC..THydrogen-bonded Turntrans95-27.3174.700000114.6N220 R222 M382 K383 V384N220-G386 PolarHBondContact ND2-N 2.89Å; R222-G386 PolarHBondContact NH1-O 3.06Å; R222-G386 VanDerWaalsContact NH1-O 3.09Å; M382-G386 CarbonylContact O-C 3.56Å; M382-G386 PolarHBondContact O-N 3.29Å; M382-G386 VanDerWaalsContact O-N 3.12Å; K383-G386 PolarHBondContact O-N 3.39Å; V384-G386 PolarHBondContact O-N 3.3Å; V384-G386 VanDerWaalsContact O-N 3.16Å
387G95.4Very high94.7Very high0 Ų013.6 Ų13.60%08%0.084CC..BIsolated β-bridgetrans169.1179173.500000113A251 M382 M385 D389 F390A251-G387 CarbonylContact O-C 3.6Å; M382-G387 WeakPolarHBondContact O-CA 3.46Å; M382-G387 PolarHBondContact O-N 2.97Å; M385-G387 PolarHBondContact O-N 3.34Å; G387-D389 PolarHBondContact O-N 2.92Å; G387-F390 WeakPolarHBondContact O-CB 3.13Å; G387-F390 PolarHBondContact O-N 3.34Å; G387-F390 VanDerWaalsContact O-N 3.16Å
388Y94.4Very high94.7Very high2 Ų213.6 Ų13.61%0.0088%0.084CC..THydrogen-bonded Turntrans-70-6170-71.2-76.7000113.1L250 A251 L252 Q256 W263 V289 P354 C363 E378 M382 F390L250-Y388 HydrophobicContact CB-CD2 3.84Å; L250-Y388 HydrophobicContact CB-CE2 4.1Å; L250-Y388 HydrophobicContact CD1-CD2 4.12Å; L250-Y388 HydrophobicContact CD1-CE2 3.81Å; L250-Y388 HydrophobicContact CG-CE2 4.47Å; A251-Y388 WeakPolarHBondContact O-CA 3.37Å; A251-Y388 WeakPolarHBondContact O-CB 3.18Å; A251-Y388 PolarHBondContact O-N 3.16Å; L252-Y388 HydrophobicContact CD2-CD2 3.81Å; L252-Y388 HydrophobicContact CD2-CG 4.29Å; Q256-Y388 VanDerWaalsContact OE1-CB 3.31Å; Q256-Y388 PolarHBondContact OE1-O 2.82Å; W263-Y388 HydrophobicContact CH2-CD2 4.35Å; W263-Y388 HydrophobicContact CH2-CE2 4.11Å; W263-Y388 HydrophobicContact CZ3-CE2 4.45Å; V289-Y388 HydrophobicContact CG1-CD1 4.48Å; P354-Y388 HydrophobicContact CG-CE2 4.17Å; C363-Y388 HydrophobicContact CB-CE1 3.68Å; E378-Y388 HydrophobicContact CG-CE1 4.21Å; M382-Y388 HydrophobicContact CB-CD1 4.17Å; M382-Y388 HydrophobicContact CB-CE1 4.28Å; M382-Y388 HydrophobicContact CB-CG 4.45Å; M382-Y388 HydrophobicContact CG-CD1 3.68Å; M382-Y388 HydrophobicContact CG-CE1 3.86Å; M382-Y388 HydrophobicContact CG-CG 4.36Å; M382-Y388 HydrophobicContact SD-CD1 4.38Å; Y388-F390 PolarHBondContact O-N 3.36Å
389D92.4Very high94.7Very high53 Ų5313.5 Ų13.528%0.2838%0.084SC..THydrogen-bonded Turntrans-81.97.8168.671.4-27.1000113A251 G387 K597A251-D389 PolarHBondContact O-N 2.6Å; G387-D389 PolarHBondContact O-N 2.92Å; D389-K597 IonicContact OD1-NZ 2.61Å; D389-K597 PolarHBondContact OD1-NZ 3.19Å; D389-K597 IonicContact OD2-NZ 3.3Å; D389-K597 PolarHBondContact OD2-NZ 3.16Å
390F92.3Very high94.8Very high0 Ų013.8 Ų13.80%09%0.085CC..  trans-55.7129.3174.5179.8-120.2000111T290 D291 M382 M385 G387 Y388 G392 F600T290-F390 PolarHBondContact OG1-O 3.49Å; D291-F390 HydrophobicContact CB-CD1 4.19Å; D291-F390 WeakPolarHBondContact OD2-CE1 3.36Å; M382-F390 HydrophobicContact CE-CB 4.37Å; M382-F390 HydrophobicContact CE-CD1 3.86Å; M382-F390 HydrophobicContact CE-CG 4.45Å; M382-F390 HydrophobicContact SD-CB 4Å; M385-F390 HydrophobicContact CB-CB 4.11Å; M385-F390 HydrophobicContact CB-CD1 4.19Å; M385-F390 HydrophobicContact CB-CD2 3.68Å; M385-F390 HydrophobicContact CB-CE2 4.13Å; M385-F390 HydrophobicContact CB-CG 3.74Å; M385-F390 HydrophobicContact CG-CD1 4.28Å; M385-F390 HydrophobicContact CG-CD2 4.22Å; M385-F390 HydrophobicContact CG-CE1 4.22Å; M385-F390 HydrophobicContact CG-CE2 4.21Å; M385-F390 HydrophobicContact CG-CG 4.28Å; M385-F390 HydrophobicContact CG-CZ 4.2Å; M385-F390 HydrophobicContact SD-CD2 4.35Å; M385-F390 HydrophobicContact SD-CE1 4.43Å; M385-F390 HydrophobicContact SD-CE2 3.83Å; M385-F390 HydrophobicContact SD-CZ 3.87Å; G387-F390 WeakPolarHBondContact O-CB 3.13Å; G387-F390 PolarHBondContact O-N 3.34Å; G387-F390 VanDerWaalsContact O-N 3.16Å; Y388-F390 PolarHBondContact O-N 3.36Å; F390-G392 VanDerWaalsContact CE1-CA 3.47Å; F390-G392 WeakPolarHBondContact CE1-O 3.43Å; F390-G392 WeakPolarHBondContact CZ-O 3.35Å; F390-G392 PolarHBondContact O-N 2.9Å; F390-F600 HydrophobicContact CE2-CB 4.29Å; F390-F600 AromaticContact CE2-CD2 3.86Å; F390-F600 HydrophobicContact CE2-CD2 3.86Å; F390-F600 HydrophobicContact CE2-CE2 4.3Å; F390-F600 HydrophobicContact CE2-CG 4Å; F390-F600 HydrophobicContact CZ-CD1 4.31Å; F390-F600 HydrophobicContact CZ-CD2 4.32Å; F390-F600 HydrophobicContact CZ-CG 4.19Å
391P88.1Confident94.7Very high77 Ų7713.9 Ų13.950%0.59%0.086SC..  trans-65.9-21.7-176.124.7-36000114
392G89.3Confident94.7Very high19 Ų1913.9 Ų13.920%0.1969%0.086CC..  trans118170.8-175.600000112.2F390F390-G392 VanDerWaalsContact CE1-CA 3.47Å; F390-G392 WeakPolarHBondContact CE1-O 3.43Å; F390-G392 WeakPolarHBondContact CZ-O 3.35Å; F390-G392 PolarHBondContact O-N 2.9Å
393S90.6Very high94.7Very high22 Ų2214.8 Ų14.815%0.1549%0.091CC..  trans-142.8-167.2-173.650.80000110.9D291 S293 D398D291-S393 PolarHBondContact OD1-OG 2.83Å; D291-S393 PolarHBondContact OD2-OG 3.14Å; S293-S393 VanDerWaalsContact OG-C 3.25Å; S293-S393 PolarHBondContact OG-O 3.4Å; S293-S393 PolarHBondContact OG-OG 3.5Å; S393-D398 VanDerWaalsContact CB-OD1 3.31Å; S393-D398 WeakPolarHBondContact CB-OD1 3.41Å; S393-D398 PolarHBondContact OG-OD1 3.04Å; S393-D398 PolarHBondContact OG-OD2 2.82Å
394N93Very high94.6Very high63 Ų6315.3 Ų15.334%0.33710%0.098SC..  trans-111.6142.9171.2-68.9-44.2000109.6N396 I397 D398 Y537N394-N396 VanDerWaalsContact CB-OD1 3.28Å; N394-N396 WeakPolarHBondContact CB-OD1 3.42Å; N394-N396 PolarHBondContact O-N 3.15Å; N394-N396 VanDerWaalsContact O-N 3.09Å; N394-I397 HydrophobicContact CB-CD1 4.11Å; N394-I397 HydrophobicContact CB-CG1 4.43Å; N394-I397 VanDerWaalsContact O-CB 3.31Å; N394-I397 WeakPolarHBondContact O-CB 3.49Å; N394-I397 PolarHBondContact O-N 2.88Å; N394-D398 PolarHBondContact O-N 2.82Å; N394-Y537 HydrophobicContact CB-CE1 3.91Å; N394-Y537 HydrophobicContact CB-CE2 4.12Å; N394-Y537 PolarHBondContact OD1-OH 3.17Å
395S94Very high94.7Very high0 Ų015.8 Ų15.80%010%0.1CC..Hα-helixtrans-62.8-25.6-172.3-650000114.5S293 S297 I397 D398 L399 T440S293-S395 VanDerWaalsContact CA-OG 3.29Å; S293-S395 WeakPolarHBondContact CA-OG 3.19Å; S293-S395 WeakPolarHBondContact CB-OG 3.17Å; S293-S395 PolarHBondContact O-OG 3.25Å; S297-S395 PolarHBondContact OG-O 2.94Å; S395-I397 VanDerWaalsContact C-N 3.29Å; S395-I397 PolarHBondContact O-N 3.45Å; S395-D398 PolarHBondContact O-N 3.5Å; S395-L399 VanDerWaalsContact O-CB 3.26Å; S395-L399 WeakPolarHBondContact O-CB 3.39Å; S395-L399 WeakPolarHBondContact O-CG 3.34Å; S395-L399 PolarHBondContact O-N 2.95Å; S395-T440 WeakPolarHBondContact CB-OG1 3.31Å; S395-T440 PolarHBondContact OG-OG1 2.88Å
396N95.6Very high94.8Very high4 Ų415.5 Ų15.52%0.02110%0.098CC..Hα-helixtrans-66.3-34174.965.5-42.8000112.3N394 H400 P407 Y537 N539N394-N396 VanDerWaalsContact CB-OD1 3.28Å; N394-N396 WeakPolarHBondContact CB-OD1 3.42Å; N394-N396 PolarHBondContact O-N 3.15Å; N394-N396 VanDerWaalsContact O-N 3.09Å; N396-H400 VanDerWaalsContact O-CB 3.24Å; N396-H400 WeakPolarHBondContact O-CB 3.49Å; N396-H400 PolarHBondContact O-N 2.9Å; N396-H400 VanDerWaalsContact O-N 3.11Å; N396-P407 HydrophobicContact CB-CB 3.92Å; N396-P407 WeakPolarHBondContact O-CB 3.25Å; N396-Y537 HydrophobicContact CB-CD1 3.8Å; N396-Y537 HydrophobicContact CB-CG 4.2Å; N396-Y537 VanDerWaalsContact OD1-CD1 3.3Å; N396-Y537 WeakPolarHBondContact OD1-CD1 3.49Å; N396-Y537 WeakPolarHBondContact OD1-CE1 3.26Å; N396-N539 VanDerWaalsContact CA-OD1 3.31Å; N396-N539 WeakPolarHBondContact CA-OD1 3.19Å; N396-N539 PolarHBondContact O-ND2 2.64Å
397I95.7Very high95Very high10 Ų1015.2 Ų15.25%0.05110%0.095CC..Hα-helixtrans-69.6-47.3174.5-55.4168.1000109N394 S395 H400 A401 F600 P638N394-I397 HydrophobicContact CB-CD1 4.11Å; N394-I397 HydrophobicContact CB-CG1 4.43Å; N394-I397 VanDerWaalsContact O-CB 3.31Å; N394-I397 WeakPolarHBondContact O-CB 3.49Å; N394-I397 PolarHBondContact O-N 2.88Å; S395-I397 VanDerWaalsContact C-N 3.29Å; S395-I397 PolarHBondContact O-N 3.45Å; I397-H400 WeakPolarHBondContact O-CB 3.41Å; I397-H400 PolarHBondContact O-N 3.12Å; I397-A401 PolarHBondContact O-N 3.25Å; I397-F600 HydrophobicContact CD1-CE1 4.25Å; I397-P638 HydrophobicContact CD1-CG 3.8Å; I397-P638 HydrophobicContact CG1-CG 3.98Å; I397-P638 HydrophobicContact CG2-CG 4.2Å
398D97Very high95.1Very high0 Ų016 Ų160%010%0.099CC..Hα-helixtrans-65.7-45.6-176.7-53.9-31.1000112.2S293 F294 S297 Y381 S393 N394 S395 H400 A401 L402S293-D398 WeakPolarHBondContact CB-OD2 3.15Å; S293-D398 PolarHBondContact OG-OD2 3.16Å; F294-D398 HydrophobicContact CB-CB 4.32Å; F294-D398 HydrophobicContact CD2-CB 4.07Å; F294-D398 PolarHBondContact N-OD2 2.78Å; S297-D398 WeakPolarHBondContact OG-CB 3.47Å; Y381-D398 PolarHBondContact OH-OD1 3.03Å; S393-D398 VanDerWaalsContact CB-OD1 3.31Å; S393-D398 WeakPolarHBondContact CB-OD1 3.41Å; S393-D398 PolarHBondContact OG-OD1 3.04Å; S393-D398 PolarHBondContact OG-OD2 2.82Å; N394-D398 PolarHBondContact O-N 2.82Å; S395-D398 PolarHBondContact O-N 3.5Å; D398-H400 VanDerWaalsContact C-N 3.31Å; D398-H400 PolarHBondContact O-N 3.42Å; D398-A401 PolarHBondContact O-N 2.95Å; D398-L402 WeakPolarHBondContact O-CG 3.37Å; D398-L402 PolarHBondContact O-N 2.92Å
399L97.5Very high95.1Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-61.6-41.1173-79.1170000110.9S297 S395 A401 L402 T403 L438 N539S297-L399 WeakPolarHBondContact O-CD2 3.25Å; S395-L399 VanDerWaalsContact O-CB 3.26Å; S395-L399 WeakPolarHBondContact O-CB 3.39Å; S395-L399 WeakPolarHBondContact O-CG 3.34Å; S395-L399 PolarHBondContact O-N 2.95Å; L399-A401 VanDerWaalsContact C-N 3.31Å; L399-A401 PolarHBondContact O-N 3.5Å; L399-L402 PolarHBondContact O-N 3.19Å; L399-T403 WeakPolarHBondContact O-CB 3.41Å; L399-T403 PolarHBondContact O-N 3.27Å; L399-T403 PolarHBondContact O-OG1 3.41Å; L399-L438 HydrophobicContact CD1-CB 3.99Å; L399-L438 HydrophobicContact CD2-CB 4.35Å; L399-L438 HydrophobicContact CD2-CD1 3.85Å; L399-N539 HydrophobicContact CB-CB 4.03Å; L399-N539 WeakPolarHBondContact CB-ND2 3.25Å; L399-N539 VanDerWaalsContact CB-OD1 3.29Å; L399-N539 WeakPolarHBondContact CB-OD1 3.27Å; L399-N539 HydrophobicContact CD1-CB 4.25Å; L399-N539 VanDerWaalsContact CD1-OD1 3.32Å; L399-N539 WeakPolarHBondContact CD1-OD1 3.29Å
400H97.9Very high95.1Very high14 Ų1420.6 Ų20.67%0.06511%0.113CC..Hα-helixtrans-61.8-42.4176.2-176.767.6000110.9N396 I397 D398 L402 T403 G404 W405 P407 N539 H639N396-H400 VanDerWaalsContact O-CB 3.24Å; N396-H400 WeakPolarHBondContact O-CB 3.49Å; N396-H400 PolarHBondContact O-N 2.9Å; N396-H400 VanDerWaalsContact O-N 3.11Å; I397-H400 WeakPolarHBondContact O-CB 3.41Å; I397-H400 PolarHBondContact O-N 3.12Å; D398-H400 VanDerWaalsContact C-N 3.31Å; D398-H400 PolarHBondContact O-N 3.42Å; H400-L402 PolarHBondContact O-N 2.83Å; H400-T403 PolarHBondContact O-N 3.22Å; H400-G404 VanDerWaalsContact O-CA 3.26Å; H400-G404 WeakPolarHBondContact O-CA 3.42Å; H400-G404 PolarHBondContact O-N 2.97Å; H400-W405 PolarHBondContact ND1-O 2.9Å; H400-P407 HydrophobicContact CB-CB 4.3Å; H400-P407 HydrophobicContact CB-CG 4.2Å; H400-N539 PolarHBondContact N-ND2 2.81Å; H400-N539 VanDerWaalsContact N-ND2 3.19Å; H400-H639 AromaticContact CD2-CE1 3.3Å; H400-H639 PolarHBondContact CD2-CE1 2.84Å; H400-H639 AromaticContact CD2-NE2 3.45Å; H400-H639 PolarHBondContact CD2-NE2 2.76Å; H400-H639 AromaticContact NE2-CE1 3.79Å
401A97.5Very high95.1Very high1 Ų122 Ų221%0.00812%0.123CC..Hα-helixtrans-62.5-42.9176.300000112.5N339 F340 Y381 I397 D398 L399N339-A401 PolarHBondContact N-O 3.05Å; N339-A401 PolarHBondContact ND2-O 3.01Å; N339-A401 VanDerWaalsContact O-CA 3.28Å; N339-A401 WeakPolarHBondContact O-CA 3.28Å; F340-A401 HydrophobicContact CD1-CB 4.33Å; F340-A401 HydrophobicContact CE1-CB 3.7Å; F340-A401 HydrophobicContact CE2-CB 4.47Å; F340-A401 HydrophobicContact CZ-CB 3.83Å; Y381-A401 HydrophobicContact CD2-CB 4.45Å; Y381-A401 HydrophobicContact CE2-CB 3.76Å; I397-A401 PolarHBondContact O-N 3.25Å; D398-A401 PolarHBondContact O-N 2.95Å; L399-A401 VanDerWaalsContact C-N 3.31Å; L399-A401 PolarHBondContact O-N 3.5Å
402L96.8Very high95.2Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-69.9-39179.8-73.5172.4000113.2F294 M298 I313 L338 D398 L399 H400F294-L402 HydrophobicContact CD2-CD1 4.23Å; F294-L402 HydrophobicContact CD2-CG 4.5Å; F294-L402 HydrophobicContact CE2-CD1 3.74Å; F294-L402 HydrophobicContact CE2-CD2 3.63Å; F294-L402 HydrophobicContact CE2-CG 3.72Å; F294-L402 HydrophobicContact CZ-CD1 4.25Å; F294-L402 HydrophobicContact CZ-CD2 3.84Å; F294-L402 HydrophobicContact CZ-CG 4.37Å; M298-L402 HydrophobicContact CG-CD1 4.05Å; I313-L402 HydrophobicContact CD1-CB 4.27Å; I313-L402 HydrophobicContact CD1-CD1 4.04Å; I313-L402 HydrophobicContact CD1-CD2 3.78Å; I313-L402 HydrophobicContact CD1-CG 4.26Å; L338-L402 HydrophobicContact CD2-CD2 3.91Å; D398-L402 WeakPolarHBondContact O-CG 3.37Å; D398-L402 PolarHBondContact O-N 2.92Å; L399-L402 PolarHBondContact O-N 3.19Å; H400-L402 PolarHBondContact O-N 2.83Å
403T96.9Very high94.3Very high22 Ų2224.5 Ų24.514%0.13512%0.117CC..Hα-helixtrans-121.1-17.7-163.472.10000114.7L312 L399 H400 W405 L438L312-T403 HydrophobicContact CD1-CG2 3.86Å; L312-T403 HydrophobicContact CD2-CG2 3.95Å; L312-T403 HydrophobicContact CG-CG2 3.72Å; L399-T403 WeakPolarHBondContact O-CB 3.41Å; L399-T403 PolarHBondContact O-N 3.27Å; L399-T403 PolarHBondContact O-OG1 3.41Å; H400-T403 PolarHBondContact O-N 3.22Å; T403-W405 PolarHBondContact O-N 3.5Å; T403-W405 WeakPolarHBondContact OG1-CB 3.45Å; T403-W405 VanDerWaalsContact OG1-CD1 3.29Å; T403-W405 VanDerWaalsContact OG1-CG 3.23Å; T403-W405 PolarHBondContact OG1-N 2.89Å; T403-L438 HydrophobicContact CG2-CD1 4.14Å
404G96.4Very high92.8Very high16 Ų1629.6 Ų29.617%0.16515%0.153CC..  trans73.25.5-169.100000113.6N339 H400N339-G404 PolarHBondContact ND2-N 3.39Å; N339-G404 VanDerWaalsContact ND2-N 3.2Å; H400-G404 VanDerWaalsContact O-CA 3.26Å; H400-G404 WeakPolarHBondContact O-CA 3.42Å; H400-G404 PolarHBondContact O-N 2.97Å
405W98.3Very high91.2Very high13 Ų1331.7 Ų31.75%0.04917%0.172CC..  trans-73.1148.6-177.5-74.228.9000112.3Y304 L312 H400 T403 P407 L438 N539 W540 D541Y304-W405 HydrophobicContact CD2-CH2 4.17Å; Y304-W405 HydrophobicContact CE1-CH2 4.18Å; Y304-W405 HydrophobicContact CE1-CZ2 4.09Å; Y304-W405 AromaticContact CE2-CH2 3.46Å; Y304-W405 HydrophobicContact CE2-CH2 3.46Å; Y304-W405 VanDerWaalsContact CE2-CH2 3.46Å; Y304-W405 HydrophobicContact CE2-CZ2 4.2Å; Y304-W405 HydrophobicContact CE2-CZ3 4.32Å; Y304-W405 AromaticContact CZ-CH2 3.46Å; Y304-W405 VanDerWaalsContact CZ-CH2 3.46Å; Y304-W405 AromaticContact CZ-CZ2 3.74Å; Y304-W405 WeakPolarHBondContact OH-CH2 3.4Å; L312-W405 HydrophobicContact CD1-CZ2 4.25Å; L312-W405 HydrophobicContact CD2-CZ2 4.3Å; H400-W405 PolarHBondContact ND1-O 2.9Å; T403-W405 PolarHBondContact O-N 3.5Å; T403-W405 WeakPolarHBondContact OG1-CB 3.45Å; T403-W405 VanDerWaalsContact OG1-CD1 3.29Å; T403-W405 VanDerWaalsContact OG1-CG 3.23Å; T403-W405 PolarHBondContact OG1-N 2.89Å; W405-P407 VanDerWaalsContact O-CD 3.32Å; W405-P407 WeakPolarHBondContact O-CD 3.41Å; W405-L438 HydrophobicContact CD2-CD1 4.01Å; W405-L438 HydrophobicContact CD2-CG 4.37Å; W405-L438 HydrophobicContact CE3-CD1 3.71Å; W405-L438 HydrophobicContact CE3-CD2 4.44Å; W405-L438 HydrophobicContact CE3-CG 3.58Å; W405-L438 HydrophobicContact CH2-CD2 4.34Å; W405-L438 HydrophobicContact CH2-CG 4.33Å; W405-L438 HydrophobicContact CZ3-CD1 4.1Å; W405-L438 HydrophobicContact CZ3-CD2 3.99Å; W405-L438 HydrophobicContact CZ3-CG 3.57Å; W405-N539 HydrophobicContact CB-CB 3.76Å; W405-N539 PolarHBondContact O-ND2 3.3Å; W405-W540 VanDerWaalsContact CB-O 3.32Å; W405-W540 WeakPolarHBondContact CB-O 3.45Å; W405-W540 VanDerWaalsContact CE3-C 3.5Å; W405-D541 HydrophobicContact CD2-CB 4.35Å; W405-D541 HydrophobicContact CE3-CB 4.18Å; W405-D541 VanDerWaalsContact CE3-N 3.31Å; W405-D541 HydrophobicContact CH2-CB 3.63Å; W405-D541 HydrophobicContact CZ2-CB 3.84Å; W405-D541 HydrophobicContact CZ3-CB 3.82Å
406I98.7Very high89.7Confident0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-72.3114.6-166.2-51.2168.5000110.2N539 W540 P542 F545 W587 L641 Y673I406-N539 CarbonylContact O-C 3.55Å; I406-N539 VanDerWaalsContact O-CA 3.27Å; I406-N539 WeakPolarHBondContact O-CA 3.32Å; I406-W540 HydrophobicContact CB-CB 4.25Å; I406-W540 PolarHBondContact N-O 3.44Å; I406-W540 PolarHBondContact O-N 2.89Å; I406-P542 HydrophobicContact CD1-CB 4.31Å; I406-P542 HydrophobicContact CG1-CB 4.27Å; I406-F545 HydrophobicContact CD1-CD2 3.88Å; I406-F545 HydrophobicContact CD1-CE2 3.68Å; I406-W587 HydrophobicContact CD1-CE3 4.26Å; I406-W587 HydrophobicContact CG2-CE3 4.04Å; I406-W587 HydrophobicContact CG2-CZ3 4.34Å; I406-L641 HydrophobicContact CG2-CD1 3.77Å; I406-L641 HydrophobicContact CG2-CD2 4.18Å; I406-Y673 HydrophobicContact CD1-CD1 3.77Å; I406-Y673 HydrophobicContact CD1-CD2 3.76Å; I406-Y673 HydrophobicContact CD1-CE1 3.81Å; I406-Y673 HydrophobicContact CD1-CE2 3.79Å; I406-Y673 HydrophobicContact CD1-CG 3.73Å; I406-Y673 HydrophobicContact CG1-CD1 4.43Å; I406-Y673 HydrophobicContact CG1-CD2 4.25Å; I406-Y673 HydrophobicContact CG1-CE1 3.97Å; I406-Y673 HydrophobicContact CG1-CE2 3.74Å; I406-Y673 HydrophobicContact CG2-CE2 4.24Å
407P98.3Very high88.1Confident3 Ų339.4 Ų39.42%0.01923%0.227CC..EExtended strand (participates in β ladder)trans-79133.3-174.731.4-33.8000112N396 H400 W405 I538 L589 H639N396-P407 HydrophobicContact CB-CB 3.92Å; N396-P407 WeakPolarHBondContact O-CB 3.25Å; H400-P407 HydrophobicContact CB-CB 4.3Å; H400-P407 HydrophobicContact CB-CG 4.2Å; W405-P407 VanDerWaalsContact O-CD 3.32Å; W405-P407 WeakPolarHBondContact O-CD 3.41Å; P407-I538 CarbonylContact C-O 3.57Å; P407-L589 HydrophobicContact CG-CD1 3.98Å; P407-L589 HydrophobicContact CG-CD2 4.41Å; P407-H639 HydrophobicContact CB-CB 4.43Å; P407-H639 HydrophobicContact CG-CB 3.62Å
408E96.6Very high87.1Confident17 Ų1743.2 Ų43.28%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-129.5141.6172.2-179.7178.4172.600109.9I410 R427 I538 W540 L641 K643E408-I410 HydrophobicContact CG-CG1 4.12Å; E408-I410 WeakPolarHBondContact OE1-CG1 3.5Å; E408-R427 VanDerWaalsContact CD-NH2 3.3Å; E408-R427 IonicContact OE1-CZ 2.74Å; E408-R427 IonicContact OE1-NH1 3.83Å; E408-R427 IonicContact OE1-NH2 3.01Å; E408-R427 PolarHBondContact OE1-NH2 2.91Å; E408-R427 IonicContact OE2-NH2 3.15Å; E408-R427 PolarHBondContact OE2-NH2 2.98Å; E408-I538 HydrophobicContact CB-CB 4.37Å; E408-I538 PolarHBondContact N-O 3.43Å; E408-I538 PolarHBondContact O-N 2.79Å; E408-W540 PolarHBondContact OE2-NE1 2.81Å; E408-L641 HydrophobicContact CB-CD2 3.92Å; E408-L641 HydrophobicContact CG-CD2 4.33Å; E408-K643 IonicContact OE1-NZ 2.64Å; E408-K643 PolarHBondContact OE1-NZ 3.22Å; E408-K643 IonicContact OE2-NZ 2.59Å; E408-K643 PolarHBondContact OE2-NZ 2.9Å
409R93.7Very high86.7Confident134 Ų13445 Ų4551%0.50626%0.261SS..EExtended strand (participates in β ladder)trans-118.9129174-179.4-178.6-179.2-79.8-3.5109.7V535 Y537R409-V535 HydrophobicContact CG-CG2 3.57Å; R409-Y537 HydrophobicContact CB-CD1 4.33Å; R409-Y537 HydrophobicContact CB-CE1 4.33Å; R409-Y537 HydrophobicContact CG-CD1 4.13Å; R409-Y537 HydrophobicContact CG-CE1 3.77Å
410I92.6Very high86.5Confident17 Ų1748.5 Ų48.59%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-124.8117176.3-51.9176.2000108.8E408 F419 E424 V535 F536 I538E408-I410 HydrophobicContact CG-CG1 4.12Å; E408-I410 WeakPolarHBondContact OE1-CG1 3.5Å; I410-F419 HydrophobicContact CG2-CD2 3.82Å; I410-F419 HydrophobicContact CG2-CE2 4.05Å; I410-E424 WeakPolarHBondContact CD1-OE2 3.35Å; I410-E424 HydrophobicContact CG2-CG 4.46Å; I410-V535 CarbonylContact O-C 3.54Å; I410-V535 VanDerWaalsContact O-CA 3.3Å; I410-V535 WeakPolarHBondContact O-CA 3.48Å; I410-V535 WeakPolarHBondContact O-CG2 3.4Å; I410-F536 HydrophobicContact CB-CB 4.26Å; I410-F536 PolarHBondContact N-O 3.27Å; I410-F536 PolarHBondContact O-N 3.01Å; I410-I538 HydrophobicContact CD1-CD1 3.49Å; I410-I538 VanDerWaalsContact CD1-CD1 3.49Å; I410-I538 HydrophobicContact CG1-CD1 4.31Å
411S92Very high86.2Confident30 Ų3049.9 Ų49.921%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-76136173.2-161.60000110.1F419 D534S411-F419 VanDerWaalsContact O-CD2 3.3Å; S411-F419 WeakPolarHBondContact O-CD2 3.32Å; S411-D534 WeakPolarHBondContact CA-O 3.3Å; S411-D534 PolarHBondContact OG-O 3.36Å
412I90.4Very high86.1Confident4 Ų452.8 Ų52.82%0.02130%0.302CS..  trans-91.9-15.3179.8-58.6172.6000111.1S414 F419 I441 L529 C530 F533 D534 F536I412-S414 PolarHBondContact O-N 3.46Å; I412-F419 HydrophobicContact CB-CZ 4.45Å; I412-F419 HydrophobicContact CG1-CE2 4.39Å; I412-F419 HydrophobicContact CG1-CZ 4.34Å; I412-F419 HydrophobicContact CG2-CE1 3.92Å; I412-F419 HydrophobicContact CG2-CZ 4.09Å; I412-F419 WeakPolarHBondContact O-CD1 3.45Å; I412-I441 HydrophobicContact CD1-CG2 4.2Å; I412-L529 HydrophobicContact CD1-CD2 4.16Å; I412-C530 HydrophobicContact CG2-CB 3.98Å; I412-F533 WeakPolarHBondContact CB-O 3.27Å; I412-F533 HydrophobicContact CD1-CB 3.98Å; I412-F533 WeakPolarHBondContact CG2-O 3.43Å; I412-D534 PolarHBondContact N-O 2.91Å; I412-F536 HydrophobicContact CD1-CD2 3.39Å; I412-F536 HydrophobicContact CD1-CE2 3.37Å; I412-F536 HydrophobicContact CD1-CG 4.23Å; I412-F536 HydrophobicContact CD1-CZ 4.22Å; I412-F536 HydrophobicContact CG1-CD2 3.5Å; I412-F536 HydrophobicContact CG1-CE2 3.7Å
413R72Confident86Confident144 Ų14458.1 Ų58.154%0.54332%0.322SS..  trans-41.2125.3-171.5-73.9-170.2177.4-175.81.4112.4S415 S416R413-S415 PolarHBondContact O-N 2.9Å; R413-S415 VanDerWaalsContact O-N 3.12Å; R413-S416 WeakPolarHBondContact O-CB 3.32Å; R413-S416 PolarHBondContact O-N 2.9Å; R413-S416 PolarHBondContact O-OG 3.43Å
414S58.5Low85.9Confident130 Ų13057.3 Ų57.391%0.90932%0.316SS*.THydrogen-bonded Turntrans-56-29179.455.40000113.4I412 S416I412-S414 PolarHBondContact O-N 3.46Å; S414-S416 VanDerWaalsContact C-N 3.35Å
415S59Low86Confident106 Ų10656.6 Ų56.674%0.74131%0.309SS*.THydrogen-bonded Turntrans-81.7-8.3177.768.60000114.3R413 S417R413-S415 PolarHBondContact O-N 2.9Å; R413-S415 VanDerWaalsContact O-N 3.12Å; S415-S417 PolarHBondContact O-N 3.29Å
416S61.9Low85.9Confident32 Ų3262.3 Ų62.322%0.22433%0.33CS..  trans-80.9118179.672.70000110R413 S414 S418 F419R413-S416 WeakPolarHBondContact O-CB 3.32Å; R413-S416 PolarHBondContact O-N 2.9Å; R413-S416 PolarHBondContact O-OG 3.43Å; S414-S416 VanDerWaalsContact C-N 3.35Å; S416-S418 PolarHBondContact O-N 3.09Å; S416-S418 VanDerWaalsContact O-N 3.08Å; S416-F419 PolarHBondContact O-N 3.47Å; S416-F419 WeakPolarHBondContact OG-CB 3.46Å
417S62.4Low85.8Confident135 Ų13565 Ų6594%0.94434%0.34SS*.THydrogen-bonded Turntrans-64.5-11.4177.952.90000113.7S415S415-S417 PolarHBondContact O-N 3.29Å
418S75.2Confident85.8Confident89 Ų8964.9 Ų64.962%0.62234%0.34SS*.THydrogen-bonded Turntrans-96.2-18.6-174.257.60000114.9S416 N420 R423S416-S418 PolarHBondContact O-N 3.09Å; S416-S418 VanDerWaalsContact O-N 3.08Å; S418-N420 PolarHBondContact O-N 3.38Å; S418-R423 PolarHBondContact O-NH2 3.48Å
419F88.4Confident85.9Confident37 Ų3765.9 Ų65.916%0.16235%0.345CS..  trans-81109.7-178.7-177.5-111.7000111.1I410 S411 I412 S416 K421 E424 F536I410-F419 HydrophobicContact CG2-CD2 3.82Å; I410-F419 HydrophobicContact CG2-CE2 4.05Å; S411-F419 VanDerWaalsContact O-CD2 3.3Å; S411-F419 WeakPolarHBondContact O-CD2 3.32Å; I412-F419 HydrophobicContact CB-CZ 4.45Å; I412-F419 HydrophobicContact CG1-CE2 4.39Å; I412-F419 HydrophobicContact CG1-CZ 4.34Å; I412-F419 HydrophobicContact CG2-CE1 3.92Å; I412-F419 HydrophobicContact CG2-CZ 4.09Å; I412-F419 WeakPolarHBondContact O-CD1 3.45Å; S416-F419 PolarHBondContact O-N 3.47Å; S416-F419 WeakPolarHBondContact OG-CB 3.46Å; F419-K421 HydrophobicContact CE1-CB 3.87Å; F419-K421 HydrophobicContact CE1-CG 4.37Å; F419-K421 HydrophobicContact CZ-CB 4.4Å; F419-E424 HydrophobicContact CD2-CG 4.03Å; F419-E424 HydrophobicContact CE2-CB 4.05Å; F419-E424 HydrophobicContact CE2-CG 3.69Å; F419-F536 HydrophobicContact CZ-CE2 4.48Å
420N92.4Very high86Confident74 Ų7462.2 Ų62.240%0.39634%0.34SS..  trans-10297.7171.6-176.4-43.2000109.1S418 D422 R423 E424S418-N420 PolarHBondContact O-N 3.38Å; N420-D422 PolarHBondContact O-N 2.99Å; N420-D422 PolarHBondContact OD1-N 3.45Å; N420-R423 HydrophobicContact CB-CB 3.89Å; N420-R423 PolarHBondContact O-N 2.56Å; N420-R423 WeakPolarHBondContact OD1-CB 3.3Å; N420-R423 PolarHBondContact OD1-N 2.92Å; N420-E424 WeakPolarHBondContact O-CG 3.45Å; N420-E424 PolarHBondContact O-N 2.85Å
421K92.4Very high86.2Confident43 Ų4366.2 Ų66.219%0.18735%0.354CS..Hα-helixtrans-46.1-48.6-177.7-179.5171.9-176165.70113.2F419 E424 F425 Y526 D527 C530F419-K421 HydrophobicContact CE1-CB 3.87Å; F419-K421 HydrophobicContact CE1-CG 4.37Å; F419-K421 HydrophobicContact CZ-CB 4.4Å; K421-E424 PolarHBondContact O-N 3.44Å; K421-F425 PolarHBondContact O-N 2.93Å; K421-Y526 HydrophobicContact CB-CE1 4.37Å; K421-Y526 HydrophobicContact CD-CD1 4.19Å; K421-Y526 HydrophobicContact CD-CE1 3.91Å; K421-Y526 WeakPolarHBondContact CE-O 3.25Å; K421-Y526 HydrophobicContact CG-CD1 3.88Å; K421-Y526 HydrophobicContact CG-CE1 3.13Å; K421-Y526 HydrophobicContact CG-CE2 4.45Å; K421-Y526 VanDerWaalsContact NZ-C 3.31Å; K421-Y526 PolarHBondContact NZ-O 3.01Å; K421-Y526 VanDerWaalsContact O-CE1 3.22Å; K421-Y526 WeakPolarHBondContact O-CE1 3.38Å; K421-Y526 PolarHBondContact O-OH 3.23Å; K421-D527 VanDerWaalsContact NZ-CG 3.32Å; K421-D527 IonicContact NZ-OD1 2.93Å; K421-D527 PolarHBondContact NZ-OD1 3.44Å; K421-C530 VanDerWaalsContact CE-SG 3.52Å
422D94.9Very high86.4Confident62 Ų6265.5 Ų65.533%0.33235%0.347SS..Hα-helixtrans-72.6-42.1-173.1-177.950.9000112.7N420 F425 R426 R474N420-D422 PolarHBondContact O-N 2.99Å; N420-D422 PolarHBondContact OD1-N 3.45Å; D422-F425 PolarHBondContact O-N 3.39Å; D422-R426 PolarHBondContact O-N 3.24Å; D422-R426 VanDerWaalsContact O-N 3.15Å; D422-R426 IonicContact OD1-CZ 3.66Å; D422-R426 IonicContact OD1-NH1 2.66Å; D422-R426 PolarHBondContact OD1-NH1 3.04Å; D422-R426 IonicContact OD2-CZ 3.77Å; D422-R426 IonicContact OD2-NH1 3.43Å; D422-R426 PolarHBondContact OD2-NH1 3.01Å; D422-R426 IonicContact OD2-NH2 2.85Å; D422-R426 PolarHBondContact OD2-NH2 2.55Å; D422-R474 IonicContact OD1-NH1 3.91Å; D422-R474 PolarHBondContact OD1-NH1 3.46Å
423R95.2Very high86.5Confident113 Ų11367.5 Ų67.543%0.42636%0.357SS..Hα-helixtrans-58.1-48.6171.3-178.5-171.869.6-140.7-2.9111.2S418 N420 R426 R427S418-R423 PolarHBondContact O-NH2 3.48Å; N420-R423 HydrophobicContact CB-CB 3.89Å; N420-R423 PolarHBondContact O-N 2.56Å; N420-R423 WeakPolarHBondContact OD1-CB 3.3Å; N420-R423 PolarHBondContact OD1-N 2.92Å; R423-R426 PolarHBondContact O-N 3.2Å; R423-R427 VanDerWaalsContact O-CB 3.27Å; R423-R427 WeakPolarHBondContact O-CB 2.9Å; R423-R427 PolarHBondContact O-N 3.12Å
424E95.4Very high87.5Confident4 Ų466.6 Ų66.62%0.01936%0.356CS..Hα-helixtrans-66-39.8-176.6-63.9-45.8136.600112.1I410 F419 N420 K421 R427 L428I410-E424 WeakPolarHBondContact CD1-OE2 3.35Å; I410-E424 HydrophobicContact CG2-CG 4.46Å; F419-E424 HydrophobicContact CD2-CG 4.03Å; F419-E424 HydrophobicContact CE2-CB 4.05Å; F419-E424 HydrophobicContact CE2-CG 3.69Å; N420-E424 WeakPolarHBondContact O-CG 3.45Å; N420-E424 PolarHBondContact O-N 2.85Å; K421-E424 PolarHBondContact O-N 3.44Å; E424-R427 PolarHBondContact O-N 3.3Å; E424-R427 IonicContact OE1-NH1 3.31Å; E424-R427 PolarHBondContact OE1-NH1 3.48Å; E424-R427 IonicContact OE2-CZ 2.95Å; E424-R427 IonicContact OE2-NE 3.84Å; E424-R427 PolarHBondContact OE2-NE 2.88Å; E424-R427 IonicContact OE2-NH1 2.79Å; E424-R427 PolarHBondContact OE2-NH1 2.8Å; E424-R427 IonicContact OE2-NH2 2.69Å; E424-R427 PolarHBondContact OE2-NH2 2.93Å; E424-L428 WeakPolarHBondContact O-CB 3.49Å; E424-L428 WeakPolarHBondContact O-CG 3.22Å; E424-L428 PolarHBondContact O-N 3.24Å
425F97.4Very high89.3Confident1 Ų160.4 Ų60.40%0.00431%0.313CS..Hα-helixtrans-59.6-53.4174.7-178.3-96.2000112.3K421 D422 R427 L428 L429 I467 E469 R474 F476 Y526K421-F425 PolarHBondContact O-N 2.93Å; D422-F425 PolarHBondContact O-N 3.39Å; F425-R427 VanDerWaalsContact C-N 3.26Å; F425-R427 PolarHBondContact O-N 2.98Å; F425-L428 PolarHBondContact O-N 3.24Å; F425-L429 HydrophobicContact CE1-CB 4.47Å; F425-L429 HydrophobicContact CE1-CD2 3.8Å; F425-L429 HydrophobicContact CZ-CD2 4.24Å; F425-L429 VanDerWaalsContact O-CB 3.31Å; F425-L429 WeakPolarHBondContact O-CB 3.2Å; F425-L429 PolarHBondContact O-N 3.15Å; F425-I467 HydrophobicContact CD2-CD1 3.83Å; F425-I467 HydrophobicContact CD2-CG1 4.34Å; F425-I467 HydrophobicContact CE2-CD1 3.66Å; F425-I467 HydrophobicContact CE2-CG1 3.67Å; F425-I467 HydrophobicContact CZ-CD1 4.36Å; F425-I467 HydrophobicContact CZ-CG1 4.19Å; F425-E469 HydrophobicContact CE1-CB 4.24Å; F425-E469 HydrophobicContact CZ-CB 4.24Å; F425-R474 VanDerWaalsContact CD1-CD 3.46Å; F425-R474 HydrophobicContact CD1-CG 3.97Å; F425-R474 HydrophobicContact CD2-CB 3.99Å; F425-R474 HydrophobicContact CD2-CG 4.24Å; F425-R474 HydrophobicContact CE1-CB 4.12Å; F425-R474 HydrophobicContact CE1-CG 3.52Å; F425-R474 HydrophobicContact CE2-CB 3.47Å; F425-R474 VanDerWaalsContact CE2-CB 3.47Å; F425-R474 HydrophobicContact CE2-CG 3.86Å; F425-R474 HydrophobicContact CG-CG 4.31Å; F425-R474 HydrophobicContact CZ-CB 3.55Å; F425-R474 HydrophobicContact CZ-CG 3.47Å; F425-R474 VanDerWaalsContact CZ-CG 3.47Å; F425-F476 AromaticContact CD2-CE2 3.66Å; F425-F476 HydrophobicContact CD2-CE2 3.66Å; F425-F476 AromaticContact CD2-CZ 3.77Å; F425-F476 HydrophobicContact CD2-CZ 3.77Å; F425-F476 AromaticContact CE2-CE2 3.71Å; F425-F476 HydrophobicContact CE2-CE2 3.71Å; F425-F476 HydrophobicContact CE2-CZ 4.07Å; F425-Y526 HydrophobicContact CB-CD1 4.07Å; F425-Y526 HydrophobicContact CB-CE1 3.48Å; F425-Y526 VanDerWaalsContact CB-CE1 3.48Å; F425-Y526 AromaticContact CD2-CD1 3.82Å; F425-Y526 HydrophobicContact CD2-CD1 3.82Å; F425-Y526 HydrophobicContact CD2-CE1 4.01Å; F425-Y526 HydrophobicContact CD2-CG 4.22Å; F425-Y526 HydrophobicContact CG-CD1 4.17Å; F425-Y526 HydrophobicContact CG-CE1 4.08Å
426R97.7Very high91.1Very high133 Ų13357.5 Ų57.550%0.50229%0.288SS..Hα-helixtrans-59.7-39.9179-76.6-164.8-69.5-89.1-6.3111.8D422 R423 S430D422-R426 PolarHBondContact O-N 3.24Å; D422-R426 VanDerWaalsContact O-N 3.15Å; D422-R426 IonicContact OD1-CZ 3.66Å; D422-R426 IonicContact OD1-NH1 2.66Å; D422-R426 PolarHBondContact OD1-NH1 3.04Å; D422-R426 IonicContact OD2-CZ 3.77Å; D422-R426 IonicContact OD2-NH1 3.43Å; D422-R426 PolarHBondContact OD2-NH1 3.01Å; D422-R426 IonicContact OD2-NH2 2.85Å; D422-R426 PolarHBondContact OD2-NH2 2.55Å; R423-R426 PolarHBondContact O-N 3.2Å; R426-S430 VanDerWaalsContact O-CB 3.24Å; R426-S430 WeakPolarHBondContact O-CB 3.4Å; R426-S430 PolarHBondContact O-N 3.26Å; R426-S430 PolarHBondContact O-OG 2.79Å
427R96.2Very high92.8Very high57 Ų5756.1 Ų56.122%0.21528%0.278CS..Hα-helixtrans-62-49.1178.2-167.5179.484.6-172.820.2111.3E408 R423 E424 F425 S430 R431 W540E408-R427 VanDerWaalsContact CD-NH2 3.3Å; E408-R427 IonicContact OE1-CZ 2.74Å; E408-R427 IonicContact OE1-NH1 3.83Å; E408-R427 IonicContact OE1-NH2 3.01Å; E408-R427 PolarHBondContact OE1-NH2 2.91Å; E408-R427 IonicContact OE2-NH2 3.15Å; E408-R427 PolarHBondContact OE2-NH2 2.98Å; R423-R427 VanDerWaalsContact O-CB 3.27Å; R423-R427 WeakPolarHBondContact O-CB 2.9Å; R423-R427 PolarHBondContact O-N 3.12Å; E424-R427 PolarHBondContact O-N 3.3Å; E424-R427 IonicContact OE1-NH1 3.31Å; E424-R427 PolarHBondContact OE1-NH1 3.48Å; E424-R427 IonicContact OE2-CZ 2.95Å; E424-R427 IonicContact OE2-NE 3.84Å; E424-R427 PolarHBondContact OE2-NE 2.88Å; E424-R427 IonicContact OE2-NH1 2.79Å; E424-R427 PolarHBondContact OE2-NH1 2.8Å; E424-R427 IonicContact OE2-NH2 2.69Å; E424-R427 PolarHBondContact OE2-NH2 2.93Å; F425-R427 VanDerWaalsContact C-N 3.26Å; F425-R427 PolarHBondContact O-N 2.98Å; R427-S430 PolarHBondContact O-OG 3.08Å; R427-R431 WeakPolarHBondContact O-CB 3.04Å; R427-R431 VanDerWaalsContact O-CG 3.27Å; R427-R431 WeakPolarHBondContact O-CG 3.44Å; R427-R431 PolarHBondContact O-N 2.89Å; R427-W540 HydrophobicContact CG-CH2 4.4Å
428L98Very high94.5Very high0 Ų049.8 Ų49.80%023%0.234CC..Hα-helixtrans-62.8-51.1177.3-73178.7000111.3E424 F425 S430 R431 F432 V439 I467 F476 F536 I538E424-L428 WeakPolarHBondContact O-CB 3.49Å; E424-L428 WeakPolarHBondContact O-CG 3.22Å; E424-L428 PolarHBondContact O-N 3.24Å; F425-L428 PolarHBondContact O-N 3.24Å; L428-S430 VanDerWaalsContact C-N 3.33Å; L428-S430 PolarHBondContact O-N 2.79Å; L428-R431 PolarHBondContact O-N 3.01Å; L428-R431 VanDerWaalsContact O-N 3.15Å; L428-F432 WeakPolarHBondContact O-CB 3.37Å; L428-F432 PolarHBondContact O-N 3.09Å; L428-V439 HydrophobicContact CD2-CG2 3.92Å; L428-I467 HydrophobicContact CB-CD1 3.87Å; L428-F476 HydrophobicContact CD1-CE1 4.44Å; L428-F536 HydrophobicContact CD1-CD1 3.9Å; L428-F536 HydrophobicContact CD1-CE1 3.74Å; L428-F536 HydrophobicContact CD1-CZ 4.26Å; L428-I538 HydrophobicContact CD2-CD1 3.59Å; L428-I538 HydrophobicContact CD2-CG1 4.1Å
429L97.6Very high95.6Very high39 Ų3945.5 Ų45.520%0.20420%0.204CC..Hα-helixtrans-55.5-47.1-179.8-17865.1000111.8F425 R431 I467 E469F425-L429 HydrophobicContact CE1-CB 4.47Å; F425-L429 HydrophobicContact CE1-CD2 3.8Å; F425-L429 HydrophobicContact CZ-CD2 4.24Å; F425-L429 VanDerWaalsContact O-CB 3.31Å; F425-L429 WeakPolarHBondContact O-CB 3.2Å; F425-L429 PolarHBondContact O-N 3.15Å; L429-R431 VanDerWaalsContact C-N 3.27Å; L429-R431 PolarHBondContact O-N 2.83Å; L429-I467 HydrophobicContact CB-CD1 4.19Å; L429-I467 HydrophobicContact CD1-CG1 4.32Å; L429-I467 HydrophobicContact CD1-CG2 4.05Å; L429-I467 WeakPolarHBondContact CD1-O 3.49Å; L429-E469 HydrophobicContact CD2-CB 4.4Å
430S96.3Very high96.1Very high57 Ų5743.8 Ų43.840%0.39920%0.196SC..Hα-helixtrans-68.8-22.2-177.469.40000114.5R426 R427 L428 K434R426-S430 VanDerWaalsContact O-CB 3.24Å; R426-S430 WeakPolarHBondContact O-CB 3.4Å; R426-S430 PolarHBondContact O-N 3.26Å; R426-S430 PolarHBondContact O-OG 2.79Å; R427-S430 PolarHBondContact O-OG 3.08Å; L428-S430 VanDerWaalsContact C-N 3.33Å; L428-S430 PolarHBondContact O-N 2.79Å; S430-K434 VanDerWaalsContact O-CD 3.3Å; S430-K434 WeakPolarHBondContact O-CD 3.28Å; S430-K434 WeakPolarHBondContact O-CE 3.31Å
431R96.9Very high96.4Very high101 Ų10140.2 Ų40.238%0.38118%0.177SC..Hα-helixtrans-105.3-35.5-174.3-66.3-69.3-178.7170.2-0.9112.8R427 L428 L429 K434 G435 H436 W540R427-R431 WeakPolarHBondContact O-CB 3.04Å; R427-R431 VanDerWaalsContact O-CG 3.27Å; R427-R431 WeakPolarHBondContact O-CG 3.44Å; R427-R431 PolarHBondContact O-N 2.89Å; L428-R431 PolarHBondContact O-N 3.01Å; L428-R431 VanDerWaalsContact O-N 3.15Å; L429-R431 VanDerWaalsContact C-N 3.27Å; L429-R431 PolarHBondContact O-N 2.83Å; R431-K434 PolarHBondContact O-N 2.87Å; R431-G435 PolarHBondContact O-N 2.83Å; R431-H436 HydrophobicContact CB-CB 4.16Å; R431-H436 WeakPolarHBondContact O-CB 3.39Å; R431-H436 PolarHBondContact O-N 3.38Å; R431-H436 VanDerWaalsContact O-N 3.17Å; R431-W540 HydrophobicContact CB-CH2 4.22Å; R431-W540 HydrophobicContact CB-CZ3 3.7Å; R431-W540 HydrophobicContact CG-CH2 4.15Å; R431-W540 HydrophobicContact CG-CZ3 3.75Å
432F96.4Very high96.6Very high15 Ų1538.7 Ų38.77%0.06617%0.173CC..Hα-helixtrans-61.1-51.7-176.5179.4-101000112.1L428 K434 G435 V439 M464 L465 I467L428-F432 WeakPolarHBondContact O-CB 3.37Å; L428-F432 PolarHBondContact O-N 3.09Å; F432-K434 PolarHBondContact O-N 3.2Å; F432-G435 PolarHBondContact O-N 2.78Å; F432-V439 HydrophobicContact CD2-CG2 4.44Å; F432-M464 HydrophobicContact CB-CE 4.21Å; F432-M464 HydrophobicContact CD1-CE 4.03Å; F432-M464 HydrophobicContact CD2-CE 3.16Å; F432-M464 HydrophobicContact CE1-CE 4.16Å; F432-M464 HydrophobicContact CE2-CE 3.33Å; F432-M464 HydrophobicContact CG-CE 3.52Å; F432-M464 HydrophobicContact CZ-CE 3.84Å; F432-L465 WeakPolarHBondContact CZ-O 3.4Å; F432-I467 HydrophobicContact CB-CG2 3.99Å; F432-I467 HydrophobicContact CD1-CG2 3.69Å; F432-I467 HydrophobicContact CE1-CG2 4.46Å; F432-I467 HydrophobicContact CG-CG2 4.01Å
433H92.4Very high96.6Very high46 Ų4636.1 Ų36.121%0.21316%0.159CC..THydrogen-bonded Turntrans-65.4-20.6178.6-66.7-61.1000114R307 F308 G435 D466 I467R307-H433 PolarHBondContact NH2-ND1 2.98Å; F308-H433 WeakPolarHBondContact CE1-O 3.26Å; H433-G435 VanDerWaalsContact C-N 3.26Å; H433-D466 IonicContact CE1-OD1 3.27Å; H433-D466 PolarHBondContact CE1-OD1 3.32Å; H433-D466 IonicContact ND1-OD1 3.27Å; H433-I467 PolarHBondContact CE1-O 2.91Å; H433-I467 PolarHBondContact NE2-O 3.35Å
434K93.7Very high96.3Very high124 Ų12431.1 Ų31.154%0.53914%0.142SC..THydrogen-bonded Turntrans-81-7.4173.6-63.7-178.1-177.4176.20112.8S430 R431 F432 H436S430-K434 VanDerWaalsContact O-CD 3.3Å; S430-K434 WeakPolarHBondContact O-CD 3.28Å; S430-K434 WeakPolarHBondContact O-CE 3.31Å; R431-K434 PolarHBondContact O-N 2.87Å; F432-K434 PolarHBondContact O-N 3.2Å; K434-H436 VanDerWaalsContact CB-CE1 3.48Å; K434-H436 WeakPolarHBondContact CB-CE1 3.49Å; K434-H436 WeakPolarHBondContact CB-ND1 3.29Å
435G94.6Very high96.1Very high0 Ų038.4 Ų38.40%018%0.177CC..THydrogen-bonded Turntrans74.529.8-177.500000113Y304 F308 R431 F432 H433Y304-G435 VanDerWaalsContact CE2-O 3.29Å; Y304-G435 WeakPolarHBondContact CE2-O 3.32Å; Y304-G435 PolarHBondContact OH-O 2.8Å; Y304-G435 VanDerWaalsContact OH-O 3.04Å; F308-G435 VanDerWaalsContact CE2-CA 3.47Å; R431-G435 PolarHBondContact O-N 2.83Å; F432-G435 PolarHBondContact O-N 2.78Å; H433-G435 VanDerWaalsContact C-N 3.26Å
436H97.3Very high95.9Very high46 Ų4639.4 Ų39.421%0.21318%0.182CC..  trans-94.4-10.8-178.2-64.2162.1000113.8R431 K434 D541 L544R431-H436 HydrophobicContact CB-CB 4.16Å; R431-H436 WeakPolarHBondContact O-CB 3.39Å; R431-H436 PolarHBondContact O-N 3.38Å; R431-H436 VanDerWaalsContact O-N 3.17Å; K434-H436 VanDerWaalsContact CB-CE1 3.48Å; K434-H436 WeakPolarHBondContact CB-CE1 3.49Å; K434-H436 WeakPolarHBondContact CB-ND1 3.29Å; H436-D541 PolarHBondContact O-N 3.22Å; H436-L544 HydrophobicContact CB-CD1 4.21Å; H436-L544 HydrophobicContact CB-CD2 4.08Å
437C98Very high95.8Very high2 Ų235.6 Ų35.61%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-149.2154.8179600000113.1I538 N539 W540C437-I538 HydrophobicContact CB-CG2 3.74Å; C437-N539 CarbonylContact C-O 3.54Å; C437-N539 WeakPolarHBondContact CA-O 3.49Å; C437-W540 HydrophobicContact CB-CD2 4.13Å; C437-W540 HydrophobicContact CB-CE3 3.67Å; C437-W540 HydrophobicContact CB-CH2 4.41Å; C437-W540 HydrophobicContact CB-CZ3 3.82Å
438L98.3Very high95.8Very high2 Ų239.5 Ų39.51%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-111.9137.6169.2-52.2170.9000106.9I300 Y304 L312 L399 T403 W405 I538 N539I300-L438 HydrophobicContact CG2-CB 3.67Å; I300-L438 HydrophobicContact CG2-CD2 3.81Å; I300-L438 HydrophobicContact CG2-CG 4.23Å; Y304-L438 HydrophobicContact CD2-CD2 3.48Å; Y304-L438 VanDerWaalsContact CD2-CD2 3.48Å; Y304-L438 HydrophobicContact CE2-CD2 4.33Å; Y304-L438 HydrophobicContact CG-CD2 3.64Å; L312-L438 HydrophobicContact CD2-CD1 3.8Å; L312-L438 HydrophobicContact CD2-CD2 4.15Å; L399-L438 HydrophobicContact CD1-CB 3.99Å; L399-L438 HydrophobicContact CD2-CB 4.35Å; L399-L438 HydrophobicContact CD2-CD1 3.85Å; T403-L438 HydrophobicContact CG2-CD1 4.14Å; W405-L438 HydrophobicContact CD2-CD1 4.01Å; W405-L438 HydrophobicContact CD2-CG 4.37Å; W405-L438 HydrophobicContact CE3-CD1 3.71Å; W405-L438 HydrophobicContact CE3-CD2 4.44Å; W405-L438 HydrophobicContact CE3-CG 3.58Å; W405-L438 HydrophobicContact CH2-CD2 4.34Å; W405-L438 HydrophobicContact CH2-CG 4.33Å; W405-L438 HydrophobicContact CZ3-CD1 4.1Å; W405-L438 HydrophobicContact CZ3-CD2 3.99Å; W405-L438 HydrophobicContact CZ3-CG 3.57Å; L438-I538 CarbonylContact O-C 3.46Å; L438-I538 WeakPolarHBondContact O-CA 3.32Å; L438-N539 HydrophobicContact CB-CB 4.44Å; L438-N539 PolarHBondContact N-O 2.9Å; L438-N539 PolarHBondContact O-N 3.07Å
439V98.6Very high95.7Very high0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-135.2124.7-172.3-1720000111I300 L428 F432 I441 M464 F536 Y537 I538I300-V439 WeakPolarHBondContact CD1-O 3.3Å; L428-V439 HydrophobicContact CD2-CG2 3.92Å; F432-V439 HydrophobicContact CD2-CG2 4.44Å; V439-I441 HydrophobicContact CG1-CG1 4.36Å; V439-M464 HydrophobicContact CB-CB 4.05Å; V439-M464 HydrophobicContact CB-CE 3.72Å; V439-M464 HydrophobicContact CB-SD 3.93Å; V439-M464 HydrophobicContact CG1-CB 4.27Å; V439-M464 HydrophobicContact CG1-CE 4.3Å; V439-M464 HydrophobicContact CG1-SD 3.89Å; V439-M464 HydrophobicContact CG2-CE 3.73Å; V439-M464 HydrophobicContact CG2-SD 4.39Å; V439-M464 VanDerWaalsContact O-CB 3.22Å; V439-M464 WeakPolarHBondContact O-CB 3.43Å; V439-M464 PolarHBondContact O-N 2.81Å; V439-F536 HydrophobicContact CG1-CD1 3.91Å; V439-Y537 WeakPolarHBondContact CA-O 3.44Å; V439-I538 HydrophobicContact CG1-CG1 4.35Å; V439-I538 HydrophobicContact CG2-CG1 4.38Å; V439-I538 HydrophobicContact CG2-CG2 4.34Å
440T98.4Very high95.5Very high0 Ų047.2 Ų47.20%024%0.239CC..EExtended strand (participates in β ladder)trans-112.8157.1163.140.20000109.1A296 I300 S395 Y462 Y537A296-T440 HydrophobicContact CB-CG2 3.93Å; I300-T440 HydrophobicContact CD1-CG2 3.09Å; S395-T440 WeakPolarHBondContact CB-OG1 3.31Å; S395-T440 PolarHBondContact OG-OG1 2.88Å; T440-Y462 VanDerWaalsContact CA-O 3.27Å; T440-Y462 WeakPolarHBondContact CA-O 3.17Å; T440-Y537 PolarHBondContact N-O 3.17Å; T440-Y537 PolarHBondContact O-N 3.23Å; T440-Y537 VanDerWaalsContact O-O 3.13Å; T440-Y537 WeakPolarHBondContact OG1-CB 3.47Å; T440-Y537 PolarHBondContact OG1-O 3.46Å
441I97.9Very high95.5Very high0 Ų045.4 Ų45.40%023%0.227CC..EExtended strand (participates in β ladder)trans-134.6135.4178.5-39.2-178.3000107I412 V439 Y462 F476 L478 L529 F533 V535 F536I412-I441 HydrophobicContact CD1-CG2 4.2Å; V439-I441 HydrophobicContact CG1-CG1 4.36Å; I441-Y462 PolarHBondContact N-O 3.06Å; I441-Y462 PolarHBondContact O-N 2.74Å; I441-F476 HydrophobicContact CD1-CD1 4.05Å; I441-F476 HydrophobicContact CD1-CE1 4.41Å; I441-L478 HydrophobicContact CD1-CD2 3.71Å; I441-L478 HydrophobicContact CG1-CD2 4.22Å; I441-L529 HydrophobicContact CD1-CD1 3.71Å; I441-L529 HydrophobicContact CD1-CD2 4.48Å; I441-L529 HydrophobicContact CG2-CD2 4.27Å; I441-F533 HydrophobicContact CB-CD1 3.98Å; I441-F533 HydrophobicContact CB-CE1 4.3Å; I441-F533 HydrophobicContact CG2-CB 3.82Å; I441-F533 HydrophobicContact CG2-CD1 3.43Å; I441-F533 VanDerWaalsContact CG2-CD1 3.43Å; I441-F533 HydrophobicContact CG2-CE1 4.21Å; I441-F533 HydrophobicContact CG2-CG 3.84Å; I441-V535 WeakPolarHBondContact CA-O 3.48Å; I441-V535 WeakPolarHBondContact CG2-O 3.5Å; I441-F536 HydrophobicContact CD1-CD1 3.82Å; I441-F536 HydrophobicContact CD1-CE1 3.3Å; I441-F536 HydrophobicContact CD1-CZ 4.12Å; I441-F536 HydrophobicContact CG1-CD1 3.7Å; I441-F536 HydrophobicContact CG1-CE1 3.76Å; I441-F536 HydrophobicContact CG2-CD1 4.21Å; I441-F536 HydrophobicContact CG2-CE1 4.26Å
442A97Very high95.4Very high11 Ų1147.2 Ų47.29%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-121.4139.2-178.500000112.2H460 D534 V535 Y537A442-H460 VanDerWaalsContact CA-O 3.25Å; A442-H460 WeakPolarHBondContact CA-O 3.38Å; A442-D534 PolarHBondContact O-N 3.2Å; A442-V535 HydrophobicContact CB-CG1 3.75Å; A442-V535 PolarHBondContact N-O 2.59Å; A442-Y537 HydrophobicContact CB-CD2 4.42Å; A442-Y537 HydrophobicContact CB-CE2 3.95Å
443T95.9Very high95.4Very high8 Ų856.6 Ų56.65%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-73.1151.4172.249.10000110.6L446 L456 V457 T459 H460 Y462 F533T443-L446 HydrophobicContact CG2-CD1 4.38Å; T443-L456 HydrophobicContact CG2-CB 4.32Å; T443-V457 WeakPolarHBondContact CB-O 3.27Å; T443-V457 PolarHBondContact OG1-O 3.37Å; T443-T459 WeakPolarHBondContact O-CA 3.42Å; T443-T459 PolarHBondContact OG1-N 2.75Å; T443-H460 PolarHBondContact N-O 2.78Å; T443-H460 VanDerWaalsContact N-O 3.08Å; T443-H460 PolarHBondContact OG1-N 3.21Å; T443-H460 PolarHBondContact OG1-O 3.32Å; T443-Y462 HydrophobicContact CG2-CE2 3.93Å; T443-F533 HydrophobicContact CG2-CD1 3.8Å; T443-F533 HydrophobicContact CG2-CD2 4.48Å; T443-F533 HydrophobicContact CG2-CE1 3.68Å; T443-F533 HydrophobicContact CG2-CE2 4.37Å; T443-F533 HydrophobicContact CG2-CG 4.23Å; T443-F533 HydrophobicContact CG2-CZ 3.99Å
444G89.3Confident95.6Very high7 Ų754.7 Ų54.77%0.07227%0.267CS..  trans-80.2-160.5169.100000112T459 D534G444-T459 PolarHBondContact O-N 3.29Å; G444-D534 WeakPolarHBondContact CA-OD2 3.36Å
445Q91.3Very high95.7Very high158 Ų15848.9 Ų48.974%0.73824%0.242SC*.  trans-63.9135.8162.9-66.6-66.8-25.600109T459Q445-T459 HydrophobicContact CG-CG2 4.41Å; Q445-T459 VanDerWaalsContact NE2-CG2 3.27Å
446L92.9Very high95.9Very high21 Ų2148.9 Ų48.911%0.1124%0.242CC..  trans-129.6141.2171.9-60.3172.8000107.1T443 E450 L456 P458 F532T443-L446 HydrophobicContact CG2-CD1 4.38Å; L446-E450 HydrophobicContact CB-CB 4.32Å; L446-L456 HydrophobicContact CD1-CB 4.04Å; L446-P458 HydrophobicContact CB-CB 4.05Å; L446-F532 HydrophobicContact CD2-CD1 4.22Å
447S96Very high95.8Very high54 Ų5447.3 Ų47.338%0.37824%0.236SC..  trans-64.4158.4168.6600000110.9D449 E450 S451S447-D449 PolarHBondContact O-N 3.49Å; S447-E450 WeakPolarHBondContact CB-OE2 3.21Å; S447-E450 PolarHBondContact N-OE2 3.28Å; S447-E450 PolarHBondContact O-N 3.15Å; S447-E450 VanDerWaalsContact O-N 3.16Å; S447-E450 WeakPolarHBondContact OG-CB 3.45Å; S447-E450 VanDerWaalsContact OG-CD 3.27Å; S447-E450 WeakPolarHBondContact OG-CG 3.31Å; S447-E450 PolarHBondContact OG-N 3.02Å; S447-E450 PolarHBondContact OG-OE2 2.95Å; S447-S451 WeakPolarHBondContact O-CB 3.28Å; S447-S451 PolarHBondContact O-N 2.96Å
448D95Very high95.6Very high138 Ų13849 Ų4974%0.73825%0.247SC*.Hα-helixtrans-56.9-40.3177-68.7-29.4000111.3S451 E452D448-S451 PolarHBondContact O-N 3.07Å; D448-E452 WeakPolarHBondContact O-CB 3.43Å; D448-E452 PolarHBondContact O-N 2.87Å
449D96Very high95.3Very high117 Ų11753 Ų5363%0.62627%0.271SS*.Hα-helixtrans-63.7-44176.4-69.4-19.8000112.4S447 R453S447-D449 PolarHBondContact O-N 3.49Å; D449-R453 VanDerWaalsContact O-CB 3.24Å; D449-R453 WeakPolarHBondContact O-CB 3.41Å; D449-R453 WeakPolarHBondContact O-CG 3.31Å; D449-R453 PolarHBondContact O-N 3.01Å
450E94.4Very high95.2Very high84 Ų8453.3 Ų53.339%0.39327%0.273SS..Hα-helixtrans-65.4-43.4176.7-76.1167.3135.300111.4L446 S447 R453 S454L446-E450 HydrophobicContact CB-CB 4.32Å; S447-E450 WeakPolarHBondContact CB-OE2 3.21Å; S447-E450 PolarHBondContact N-OE2 3.28Å; S447-E450 PolarHBondContact O-N 3.15Å; S447-E450 VanDerWaalsContact O-N 3.16Å; S447-E450 WeakPolarHBondContact OG-CB 3.45Å; S447-E450 VanDerWaalsContact OG-CD 3.27Å; S447-E450 WeakPolarHBondContact OG-CG 3.31Å; S447-E450 PolarHBondContact OG-N 3.02Å; S447-E450 PolarHBondContact OG-OE2 2.95Å; E450-R453 PolarHBondContact O-N 3.34Å; E450-S454 WeakPolarHBondContact O-CB 3.2Å; E450-S454 PolarHBondContact O-N 3.44Å; E450-S454 PolarHBondContact O-OG 2.85Å
451S95.4Very high95.1Very high20 Ų2053.5 Ų53.514%0.1428%0.275CS..Hα-helixtrans-58.8-48.8176.3173.50000111.1S447 D448 S454 G455 L456S447-S451 WeakPolarHBondContact O-CB 3.28Å; S447-S451 PolarHBondContact O-N 2.96Å; D448-S451 PolarHBondContact O-N 3.07Å; S451-S454 PolarHBondContact O-OG 3.35Å; S451-G455 WeakPolarHBondContact O-CA 3.5Å; S451-G455 PolarHBondContact O-N 2.69Å; S451-L456 WeakPolarHBondContact CA-O 3.38Å; S451-L456 PolarHBondContact OG-O 3.4Å; S451-L456 VanDerWaalsContact OG-O 3.07Å
452E95Very high95.1Very high139 Ų13953.5 Ų53.565%0.6528%0.275SS*.Hα-helixtrans-64.1-45.8178.4-175.5174.3-175.800111.8D448 K488D448-E452 WeakPolarHBondContact O-CB 3.43Å; D448-E452 PolarHBondContact O-N 2.87Å; E452-K488 PolarHBondContact O-NZ 3.49Å
453R95.9Very high95.1Very high211 Ų21153 Ų5380%0.79627%0.271SS*.Hα-helixtrans-68.9-42.2-178-7417560.6131.52.5113D449 E450D449-R453 VanDerWaalsContact O-CB 3.24Å; D449-R453 WeakPolarHBondContact O-CB 3.41Å; D449-R453 WeakPolarHBondContact O-CG 3.31Å; D449-R453 PolarHBondContact O-N 3.01Å; E450-R453 PolarHBondContact O-N 3.34Å
454S96.8Very high95.2Very high6 Ų652.8 Ų52.84%0.04227%0.269CS..Hα-helixtrans-78.2-30.2-179.963.70000112.6E450 S451 L456 W487 K488E450-S454 WeakPolarHBondContact O-CB 3.2Å; E450-S454 PolarHBondContact O-N 3.44Å; E450-S454 PolarHBondContact O-OG 2.85Å; S451-S454 PolarHBondContact O-OG 3.35Å; S454-L456 WeakPolarHBondContact OG-CB 3.35Å; S454-L456 PolarHBondContact OG-N 3.13Å; S454-W487 CarbonylContact O-C 3.6Å; S454-W487 WeakPolarHBondContact O-CA 3.32Å; S454-W487 VanDerWaalsContact O-CE3 3.26Å; S454-K488 PolarHBondContact O-N 3.05Å
455G96.9Very high95.5Very high3 Ų352.7 Ų52.73%0.03127%0.267CS..  trans73.410-166.700000113.9S451 R486S451-G455 WeakPolarHBondContact O-CA 3.5Å; S451-G455 PolarHBondContact O-N 2.69Å; G455-R486 WeakPolarHBondContact CA-O 3.47Å
456L97.2Very high95.6Very high0 Ų045.9 Ų45.90%024%0.235CC..PPolyproline II helixtrans-93145.4174.8-60.4175.1000110.3T443 L446 S451 S454 Y462 W487 F522 F532 F533T443-L456 HydrophobicContact CG2-CB 4.32Å; L446-L456 HydrophobicContact CD1-CB 4.04Å; S451-L456 WeakPolarHBondContact CA-O 3.38Å; S451-L456 PolarHBondContact OG-O 3.4Å; S451-L456 VanDerWaalsContact OG-O 3.07Å; S454-L456 WeakPolarHBondContact OG-CB 3.35Å; S454-L456 PolarHBondContact OG-N 3.13Å; L456-Y462 HydrophobicContact CD2-CE1 4.4Å; L456-W487 HydrophobicContact CD1-CE3 3.92Å; L456-W487 HydrophobicContact CD1-CZ3 4.16Å; L456-W487 HydrophobicContact CD2-CB 4.45Å; L456-W487 HydrophobicContact CD2-CE3 4.45Å; L456-W487 HydrophobicContact CG-CE3 3.98Å; L456-F522 HydrophobicContact CD2-CE2 4.24Å; L456-F522 HydrophobicContact CD2-CZ 3.78Å; L456-F532 HydrophobicContact CD1-CB 3.5Å; L456-F532 HydrophobicContact CD1-CD1 4.37Å; L456-F532 HydrophobicContact CD1-CD2 4.09Å; L456-F532 HydrophobicContact CD1-CG 3.74Å; L456-F533 HydrophobicContact CD1-CE2 3.75Å; L456-F533 HydrophobicContact CD1-CZ 4.22Å; L456-F533 HydrophobicContact CD2-CE2 4.31Å; L456-F533 HydrophobicContact CD2-CZ 4.04Å
457V95Very high95.9Very high13 Ų1344.9 Ų44.98%0.07923%0.23CC..PPolyproline II helixtrans-92.4134.7-178.2-178.30000108.5T443 H460 Y462 W482 M485T443-V457 WeakPolarHBondContact CB-O 3.27Å; T443-V457 PolarHBondContact OG1-O 3.37Å; V457-H460 HydrophobicContact CB-CB 3.64Å; V457-H460 HydrophobicContact CG1-CB 3.7Å; V457-H460 WeakPolarHBondContact O-CB 3.47Å; V457-Y462 PolarHBondContact N-OH 3.12Å; V457-W482 HydrophobicContact CB-CH2 4.16Å; V457-W482 HydrophobicContact CB-CZ3 4.38Å; V457-W482 HydrophobicContact CG1-CH2 3.37Å; V457-W482 HydrophobicContact CG1-CZ2 3.86Å; V457-W482 HydrophobicContact CG1-CZ3 4.04Å; V457-W482 HydrophobicContact CG2-CE3 3.96Å; V457-W482 HydrophobicContact CG2-CH2 3.64Å; V457-W482 HydrophobicContact CG2-CZ2 4.41Å; V457-W482 HydrophobicContact CG2-CZ3 3.38Å; V457-M485 HydrophobicContact CG2-CE 4.13Å
458P94.8Very high95.9Very high38 Ų3845.7 Ų45.725%0.24723%0.225CC..THydrogen-bonded Turntrans-64.7143.4175.124.9-33.1000111.6L446 H460L446-P458 HydrophobicContact CB-CB 4.05Å; P458-H460 VanDerWaalsContact C-N 3.29Å; P458-H460 PolarHBondContact O-N 3.33Å
459T92.8Very high96Very high85 Ų8544.5 Ų44.552%0.52122%0.215SC..THydrogen-bonded Turntrans51.443.5175.555.50000114T443 G444 Q445T443-T459 WeakPolarHBondContact O-CA 3.42Å; T443-T459 PolarHBondContact OG1-N 2.75Å; G444-T459 PolarHBondContact O-N 3.29Å; Q445-T459 HydrophobicContact CG-CG2 4.41Å; Q445-T459 VanDerWaalsContact NE2-CG2 3.27Å
460H95.2Very high95.9Very high7 Ų739.7 Ų39.73%0.03219%0.189CC..  trans-125.5143.6-169.5-168.455.9000112.2C292 A442 T443 V457 P458 Y462 N480 P481 W482C292-H460 WeakPolarHBondContact CB-CE1 3.33Å; C292-H460 WeakPolarHBondContact CB-ND1 3.3Å; C292-H460 PolarHBondContact SG-ND1 3.01Å; C292-H460 VanDerWaalsContact SG-ND1 3.41Å; A442-H460 VanDerWaalsContact CA-O 3.25Å; A442-H460 WeakPolarHBondContact CA-O 3.38Å; T443-H460 PolarHBondContact N-O 2.78Å; T443-H460 VanDerWaalsContact N-O 3.08Å; T443-H460 PolarHBondContact OG1-N 3.21Å; T443-H460 PolarHBondContact OG1-O 3.32Å; V457-H460 HydrophobicContact CB-CB 3.64Å; V457-H460 HydrophobicContact CG1-CB 3.7Å; V457-H460 WeakPolarHBondContact O-CB 3.47Å; P458-H460 VanDerWaalsContact C-N 3.29Å; P458-H460 PolarHBondContact O-N 3.33Å; H460-Y462 HydrophobicContact CB-CE2 4.08Å; H460-Y462 AromaticContact CD2-CE2 3.66Å; H460-Y462 AromaticContact CD2-CZ 3.68Å; H460-N480 PolarHBondContact NE2-OD1 2.91Å; H460-P481 WeakPolarHBondContact NE2-CD 3.2Å; H460-P481 WeakPolarHBondContact NE2-CG 3.37Å; H460-W482 AromaticContact CE1-CD1 3.86Å; H460-W482 AromaticContact CE1-CE2 3.67Å; H460-W482 AromaticContact CE1-NE1 3.35Å; H460-W482 PolarHBondContact CE1-NE1 3.3Å; H460-W482 AromaticContact NE2-CE2 3.95Å; H460-W482 AromaticContact NE2-NE1 3.87Å
461A96.5Very high95.9Very high4 Ų439.6 Ų39.63%0.03319%0.189CC..EExtended strand (participates in β ladder)trans-94.2132.1-179.400000112C292 A296 P481C292-A461 PolarHBondContact SG-N 3.49Å; A296-A461 HydrophobicContact CB-CB 4.21Å; A461-P481 WeakPolarHBondContact O-CD 3.35Å
462Y97.8Very high95.9Very high0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-116.5139177-67.1-99.9000110.4T440 I441 T443 L456 V457 H460 N480 F522 F533T440-Y462 VanDerWaalsContact CA-O 3.27Å; T440-Y462 WeakPolarHBondContact CA-O 3.17Å; I441-Y462 PolarHBondContact N-O 3.06Å; I441-Y462 PolarHBondContact O-N 2.74Å; T443-Y462 HydrophobicContact CG2-CE2 3.93Å; L456-Y462 HydrophobicContact CD2-CE1 4.4Å; V457-Y462 PolarHBondContact N-OH 3.12Å; H460-Y462 HydrophobicContact CB-CE2 4.08Å; H460-Y462 AromaticContact CD2-CE2 3.66Å; H460-Y462 AromaticContact CD2-CZ 3.68Å; Y462-N480 HydrophobicContact CD1-CB 4.12Å; Y462-N480 HydrophobicContact CE1-CB 3.78Å; Y462-F522 HydrophobicContact CD1-CE1 4.06Å; Y462-F522 AromaticContact CD1-CZ 3.91Å; Y462-F522 HydrophobicContact CD1-CZ 3.91Å; Y462-F522 AromaticContact CE1-CE1 3.87Å; Y462-F522 HydrophobicContact CE1-CE1 3.87Å; Y462-F522 AromaticContact CE1-CZ 3.82Å; Y462-F522 HydrophobicContact CE1-CZ 3.82Å; Y462-F533 AromaticContact CD2-CE1 3.62Å; Y462-F533 HydrophobicContact CD2-CE1 3.62Å; Y462-F533 HydrophobicContact CD2-CZ 4.17Å; Y462-F533 HydrophobicContact CE2-CE1 4.13Å; Y462-F533 HydrophobicContact CE2-CZ 4.41Å; Y462-F533 HydrophobicContact CG-CE1 4.14Å; Y462-F533 HydrophobicContact CG-CZ 4.49Å
463A97.6Very high96Very high1 Ų140 Ų401%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-84.3124.3176.200000110.9A296 A299 I300 L465 L478 K479A296-A463 HydrophobicContact CB-CB 4.37Å; A299-A463 HydrophobicContact CB-CB 4.29Å; I300-A463 HydrophobicContact CD1-CB 3.89Å; I300-A463 HydrophobicContact CG1-CB 3.54Å; A463-L465 HydrophobicContact CB-CD2 4.36Å; A463-L465 PolarHBondContact O-N 3.26Å; A463-L478 CarbonylContact O-C 3.53Å; A463-L478 WeakPolarHBondContact O-CA 3.4Å; A463-K479 HydrophobicContact CB-CB 4.24Å; A463-K479 PolarHBondContact N-O 3.17Å; A463-K479 PolarHBondContact O-N 2.91Å
464M98Very high96.1Very high2 Ų232.5 Ų32.51%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-81.6109.8172.4-169.8-171.587.300109.4F432 V439 I467 F476 L478F432-M464 HydrophobicContact CB-CE 4.21Å; F432-M464 HydrophobicContact CD1-CE 4.03Å; F432-M464 HydrophobicContact CD2-CE 3.16Å; F432-M464 HydrophobicContact CE1-CE 4.16Å; F432-M464 HydrophobicContact CE2-CE 3.33Å; F432-M464 HydrophobicContact CG-CE 3.52Å; F432-M464 HydrophobicContact CZ-CE 3.84Å; V439-M464 HydrophobicContact CB-CB 4.05Å; V439-M464 HydrophobicContact CB-CE 3.72Å; V439-M464 HydrophobicContact CB-SD 3.93Å; V439-M464 HydrophobicContact CG1-CB 4.27Å; V439-M464 HydrophobicContact CG1-CE 4.3Å; V439-M464 HydrophobicContact CG1-SD 3.89Å; V439-M464 HydrophobicContact CG2-CE 3.73Å; V439-M464 HydrophobicContact CG2-SD 4.39Å; V439-M464 VanDerWaalsContact O-CB 3.22Å; V439-M464 WeakPolarHBondContact O-CB 3.43Å; V439-M464 PolarHBondContact O-N 2.81Å; M464-I467 HydrophobicContact CE-CB 4.27Å; M464-I467 HydrophobicContact CE-CG2 4.06Å; M464-I467 HydrophobicContact SD-CB 4.25Å; M464-F476 HydrophobicContact CG-CD1 4.06Å; M464-F476 HydrophobicContact SD-CD1 3.59Å; M464-F476 VanDerWaalsContact SD-CD1 3.59Å; M464-F476 HydrophobicContact SD-CE1 3.73Å; M464-L478 HydrophobicContact CB-CD2 4.04Å; M464-L478 HydrophobicContact CG-CD2 4.29Å
465L94.4Very high96.2Very high6 Ų632.2 Ų32.23%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-88.9-31.1179.5-57.8-171.8000112.4C281 F282 Q303 F432 A463 L477 K479 V521C281-L465 HydrophobicContact CB-CD2 4.41Å; F282-L465 HydrophobicContact CE1-CD1 3.8Å; F282-L465 HydrophobicContact CZ-CD1 4.28Å; Q303-L465 HydrophobicContact CB-CD2 4.44Å; Q303-L465 HydrophobicContact CG-CD2 4.3Å; F432-L465 WeakPolarHBondContact CZ-O 3.4Å; A463-L465 HydrophobicContact CB-CD2 4.36Å; A463-L465 PolarHBondContact O-N 3.26Å; L465-L477 HydrophobicContact CB-CB 4.46Å; L465-L477 HydrophobicContact CB-CD2 3.98Å; L465-L477 HydrophobicContact CB-CG 4.08Å; L465-L477 PolarHBondContact N-O 3.39Å; L465-K479 HydrophobicContact CD1-CB 3.87Å; L465-K479 HydrophobicContact CD2-CB 4.36Å; L465-K479 HydrophobicContact CG-CB 4.05Å; L465-V521 HydrophobicContact CD1-CG1 4.11Å; L465-V521 HydrophobicContact CD1-CG2 4.27Å
466D94.9Very high96.2Very high14 Ų1432.1 Ų32.18%0.07517%0.171CC..EExtended strand (participates in β ladder)trans-156.2160.7175.8-148.434000112.5R307 H433 R468 L477 W523R307-D466 IonicContact CZ-OD1 2.84Å; R307-D466 IonicContact NH1-OD1 2.83Å; R307-D466 PolarHBondContact NH1-OD1 2.9Å; R307-D466 IonicContact NH2-OD1 3.29Å; R307-D466 PolarHBondContact NH2-OD1 3.26Å; H433-D466 IonicContact CE1-OD1 3.27Å; H433-D466 PolarHBondContact CE1-OD1 3.32Å; H433-D466 IonicContact ND1-OD1 3.27Å; D466-R468 WeakPolarHBondContact OD2-CG 3.37Å; D466-R468 IonicContact OD2-CZ 2.79Å; D466-R468 IonicContact OD2-NE 3.03Å; D466-R468 PolarHBondContact OD2-NE 2.86Å; D466-R468 IonicContact OD2-NH2 2.69Å; D466-L477 HydrophobicContact CB-CB 3.89Å; D466-L477 HydrophobicContact CB-CD2 4.15Å; D466-L477 PolarHBondContact N-O 3.2Å; D466-L477 PolarHBondContact O-N 3.17Å; D466-W523 HydrophobicContact CB-CH2 4.05Å
467I97.4Very high96.3Very high0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-139.8130.4175.1-177.9178.1000107.9F425 L428 L429 F432 H433 M464 L475 F476F425-I467 HydrophobicContact CD2-CD1 3.83Å; F425-I467 HydrophobicContact CD2-CG1 4.34Å; F425-I467 HydrophobicContact CE2-CD1 3.66Å; F425-I467 HydrophobicContact CE2-CG1 3.67Å; F425-I467 HydrophobicContact CZ-CD1 4.36Å; F425-I467 HydrophobicContact CZ-CG1 4.19Å; L428-I467 HydrophobicContact CB-CD1 3.87Å; L429-I467 HydrophobicContact CB-CD1 4.19Å; L429-I467 HydrophobicContact CD1-CG1 4.32Å; L429-I467 HydrophobicContact CD1-CG2 4.05Å; L429-I467 WeakPolarHBondContact CD1-O 3.49Å; F432-I467 HydrophobicContact CB-CG2 3.99Å; F432-I467 HydrophobicContact CD1-CG2 3.69Å; F432-I467 HydrophobicContact CE1-CG2 4.46Å; F432-I467 HydrophobicContact CG-CG2 4.01Å; H433-I467 PolarHBondContact CE1-O 2.91Å; H433-I467 PolarHBondContact NE2-O 3.35Å; M464-I467 HydrophobicContact CE-CB 4.27Å; M464-I467 HydrophobicContact CE-CG2 4.06Å; M464-I467 HydrophobicContact SD-CB 4.25Å; I467-L475 CarbonylContact C-O 3.54Å; I467-L475 WeakPolarHBondContact CA-O 3.49Å; I467-F476 HydrophobicContact CB-CD1 4.38Å; I467-F476 HydrophobicContact CB-CE1 4.39Å; I467-F476 HydrophobicContact CD1-CD1 4.28Å; I467-F476 HydrophobicContact CD1-CE1 3.5Å; I467-F476 VanDerWaalsContact CD1-CE1 3.5Å; I467-F476 HydrophobicContact CD1-CE2 4.17Å; I467-F476 HydrophobicContact CD1-CZ 3.43Å; I467-F476 VanDerWaalsContact CD1-CZ 3.43Å; I467-F476 HydrophobicContact CG1-CD1 4.18Å; I467-F476 HydrophobicContact CG1-CE1 3.88Å; I467-F476 HydrophobicContact CG1-CE2 4.25Å; I467-F476 HydrophobicContact CG1-CZ 3.92Å
468R96.7Very high96.4Very high72 Ų7233 Ų3327%0.27218%0.175SC..EExtended strand (participates in β ladder)trans-143.4154.3-174.3-66.4-65.8-171147.11.3111.8E46 D466 V470 L475 L507 W523E46-R468 IonicContact OE1-CZ 2.66Å; E46-R468 IonicContact OE1-NH2 2.64Å; E46-R468 PolarHBondContact OE1-NH2 3.2Å; D466-R468 WeakPolarHBondContact OD2-CG 3.37Å; D466-R468 IonicContact OD2-CZ 2.79Å; D466-R468 IonicContact OD2-NE 3.03Å; D466-R468 PolarHBondContact OD2-NE 2.86Å; D466-R468 IonicContact OD2-NH2 2.69Å; R468-V470 HydrophobicContact CB-CG2 4.31Å; R468-L475 PolarHBondContact N-O 2.88Å; R468-L475 PolarHBondContact O-N 2.84Å; R468-L507 HydrophobicContact CB-CD2 3.82Å; R468-L507 HydrophobicContact CG-CD2 3.76Å; R468-W523 HydrophobicContact CB-CH2 4.37Å; R468-W523 HydrophobicContact CB-CZ3 4.41Å; R468-W523 HydrophobicContact CG-CH2 3.89Å; R468-W523 HydrophobicContact CG-CZ3 4.36Å
469E96.7Very high96.4Very high113 Ų11331.3 Ų31.353%0.52816%0.164SC..EExtended strand (participates in β ladder)trans-119116.6167.4-170.7173.6166.900108.7F425 L429 Y473 R474F425-E469 HydrophobicContact CE1-CB 4.24Å; F425-E469 HydrophobicContact CZ-CB 4.24Å; L429-E469 HydrophobicContact CD2-CB 4.4Å; E469-Y473 CarbonylContact C-O 3.16Å; E469-Y473 VanDerWaalsContact CA-O 3.28Å; E469-Y473 WeakPolarHBondContact CA-O 3.47Å; E469-R474 HydrophobicContact CG-CG 4.35Å
470V95.3Very high96.4Very high15 Ų1527.2 Ų27.29%0.09114%0.139CC..EExtended strand (participates in β ladder)trans-141.3128.1-175.3-177.20000109.3R468 G472 Y473 M503 K506 L507R468-V470 HydrophobicContact CB-CG2 4.31Å; V470-G472 PolarHBondContact O-N 3.15Å; V470-G472 VanDerWaalsContact O-N 3.16Å; V470-Y473 PolarHBondContact N-O 2.81Å; V470-Y473 WeakPolarHBondContact O-CB 3.29Å; V470-Y473 PolarHBondContact O-N 3.33Å; V470-M503 HydrophobicContact CB-CG 4.4Å; V470-M503 HydrophobicContact CG1-CB 4.34Å; V470-M503 HydrophobicContact CG1-CG 3.93Å; V470-K506 HydrophobicContact CG1-CB 4.45Å; V470-K506 HydrophobicContact CG1-CD 3.77Å; V470-L507 HydrophobicContact CG2-CD2 3.81Å; V470-L507 HydrophobicContact CG2-CG 4.37Å
471E94.7Very high96.2Very high83 Ų8327 Ų2739%0.38814%0.139SC..THydrogen-bonded Turntrans54.435.2177.3-67.2170.3-155.300112.8Y473 T500 T502 M503E471-Y473 PolarHBondContact O-N 2.95Å; E471-T500 PolarHBondContact OE1-OG1 3.28Å; E471-T500 WeakPolarHBondContact OE2-CG2 3.43Å; E471-T500 PolarHBondContact OE2-OG1 2.69Å; E471-T502 WeakPolarHBondContact OE1-CB 3.46Å; E471-T502 WeakPolarHBondContact OE1-CG2 3.21Å; E471-M503 HydrophobicContact CB-CE 4.19Å; E471-M503 PolarHBondContact OE1-N 3.3Å
472G93.6Very high95.8Very high66 Ų6630.5 Ų30.568%0.6815%0.151SC*.THydrogen-bonded Turntrans80.6-8.2-177.900000114.8V470V470-G472 PolarHBondContact O-N 3.15Å; V470-G472 VanDerWaalsContact O-N 3.16Å
473Y97.4Very high95.2Very high100 Ų10031.4 Ų31.439%0.39216%0.157SC..EExtended strand (participates in β ladder)trans-88.6138175.3-67-81.2000111.7E469 V470 E471 F491 M503E469-Y473 CarbonylContact C-O 3.16Å; E469-Y473 VanDerWaalsContact CA-O 3.28Å; E469-Y473 WeakPolarHBondContact CA-O 3.47Å; V470-Y473 PolarHBondContact N-O 2.81Å; V470-Y473 WeakPolarHBondContact O-CB 3.29Å; V470-Y473 PolarHBondContact O-N 3.33Å; E471-Y473 PolarHBondContact O-N 2.95Å; Y473-F491 AromaticContact CD1-CE2 3.82Å; Y473-F491 HydrophobicContact CD1-CE2 3.82Å; Y473-F491 AromaticContact CD1-CZ 3.57Å; Y473-F491 HydrophobicContact CD1-CZ 3.57Å; Y473-F491 AromaticContact CD2-CZ 3.97Å; Y473-F491 HydrophobicContact CD2-CZ 3.97Å; Y473-F491 HydrophobicContact CE1-CE2 4.2Å; Y473-F491 AromaticContact CE1-CZ 3.89Å; Y473-F491 HydrophobicContact CE1-CZ 3.89Å; Y473-F491 HydrophobicContact CE2-CZ 4.26Å; Y473-F491 HydrophobicContact CG-CE2 4.23Å; Y473-F491 AromaticContact CG-CZ 3.6Å; Y473-F491 HydrophobicContact CG-CZ 3.6Å; Y473-M503 HydrophobicContact CD2-CE 3.77Å; Y473-M503 HydrophobicContact CE2-CE 4.49Å; Y473-M503 HydrophobicContact CG-CE 4.42Å
474R98Very high94.6Very high55 Ų5535.7 Ų35.721%0.20818%0.177CC..EExtended strand (participates in β ladder)trans-100.3112.8174.8-69.2-177.5-69.8-169.9-1.9108.3D422 F425 E469 D525 Y526D422-R474 IonicContact OD1-NH1 3.91Å; D422-R474 PolarHBondContact OD1-NH1 3.46Å; F425-R474 VanDerWaalsContact CD1-CD 3.46Å; F425-R474 HydrophobicContact CD1-CG 3.97Å; F425-R474 HydrophobicContact CD2-CB 3.99Å; F425-R474 HydrophobicContact CD2-CG 4.24Å; F425-R474 HydrophobicContact CE1-CB 4.12Å; F425-R474 HydrophobicContact CE1-CG 3.52Å; F425-R474 HydrophobicContact CE2-CB 3.47Å; F425-R474 VanDerWaalsContact CE2-CB 3.47Å; F425-R474 HydrophobicContact CE2-CG 3.86Å; F425-R474 HydrophobicContact CG-CG 4.31Å; F425-R474 HydrophobicContact CZ-CB 3.55Å; F425-R474 HydrophobicContact CZ-CG 3.47Å; F425-R474 VanDerWaalsContact CZ-CG 3.47Å; E469-R474 HydrophobicContact CG-CG 4.35Å; R474-D525 CarbonylContact O-C 3.56Å; R474-D525 WeakPolarHBondContact O-CA 3.39Å; R474-Y526 HydrophobicContact CB-CD1 4.3Å; R474-Y526 HydrophobicContact CB-CG 4.46Å; R474-Y526 WeakPolarHBondContact O-CB 3.2Å; R474-Y526 PolarHBondContact O-N 2.84Å
475L98.5Very high94.1Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-121.8144.5-167.9-60.2178.9000111.7I467 R468 F491 M503 L507 W523 I524 D525I467-L475 CarbonylContact C-O 3.54Å; I467-L475 WeakPolarHBondContact CA-O 3.49Å; R468-L475 PolarHBondContact N-O 2.88Å; R468-L475 PolarHBondContact O-N 2.84Å; L475-F491 HydrophobicContact CD1-CD1 4.46Å; L475-F491 HydrophobicContact CD2-CD1 4.14Å; L475-F491 HydrophobicContact CD2-CD2 3.66Å; L475-F491 HydrophobicContact CD2-CE1 4.25Å; L475-F491 HydrophobicContact CD2-CE2 3.77Å; L475-F491 HydrophobicContact CD2-CG 3.85Å; L475-F491 HydrophobicContact CD2-CZ 4.06Å; L475-M503 HydrophobicContact CD1-SD 3.77Å; L475-L507 HydrophobicContact CD1-CD1 3.62Å; L475-W523 HydrophobicContact CB-CE3 3.71Å; L475-W523 HydrophobicContact CB-CZ3 3.94Å; L475-I524 WeakPolarHBondContact CA-O 3.44Å; L475-D525 HydrophobicContact CD2-CB 4.01Å
476F98.5Very high94.1Very high0 Ų039.3 Ų39.30%019%0.194CC..EExtended strand (participates in β ladder)trans-123.4131.8176.1-72.3-106000109.6F425 L428 I441 M464 I467 L478 W523 I524 Y526 L529 F536F425-F476 AromaticContact CD2-CE2 3.66Å; F425-F476 HydrophobicContact CD2-CE2 3.66Å; F425-F476 AromaticContact CD2-CZ 3.77Å; F425-F476 HydrophobicContact CD2-CZ 3.77Å; F425-F476 AromaticContact CE2-CE2 3.71Å; F425-F476 HydrophobicContact CE2-CE2 3.71Å; F425-F476 HydrophobicContact CE2-CZ 4.07Å; L428-F476 HydrophobicContact CD1-CE1 4.44Å; I441-F476 HydrophobicContact CD1-CD1 4.05Å; I441-F476 HydrophobicContact CD1-CE1 4.41Å; M464-F476 HydrophobicContact CG-CD1 4.06Å; M464-F476 HydrophobicContact SD-CD1 3.59Å; M464-F476 VanDerWaalsContact SD-CD1 3.59Å; M464-F476 HydrophobicContact SD-CE1 3.73Å; I467-F476 HydrophobicContact CB-CD1 4.38Å; I467-F476 HydrophobicContact CB-CE1 4.39Å; I467-F476 HydrophobicContact CD1-CD1 4.28Å; I467-F476 HydrophobicContact CD1-CE1 3.5Å; I467-F476 VanDerWaalsContact CD1-CE1 3.5Å; I467-F476 HydrophobicContact CD1-CE2 4.17Å; I467-F476 HydrophobicContact CD1-CZ 3.43Å; I467-F476 VanDerWaalsContact CD1-CZ 3.43Å; I467-F476 HydrophobicContact CG1-CD1 4.18Å; I467-F476 HydrophobicContact CG1-CE1 3.88Å; I467-F476 HydrophobicContact CG1-CE2 4.25Å; I467-F476 HydrophobicContact CG1-CZ 3.92Å; F476-L478 HydrophobicContact CB-CG 4.48Å; F476-W523 WeakPolarHBondContact O-CA 3.41Å; F476-I524 HydrophobicContact CB-CG2 4.12Å; F476-I524 PolarHBondContact N-O 2.92Å; F476-I524 PolarHBondContact O-N 3.15Å; F476-Y526 HydrophobicContact CD2-CD2 4.16Å; F476-Y526 HydrophobicContact CD2-CG 4.46Å; F476-Y526 HydrophobicContact CE2-CD1 4.46Å; F476-Y526 AromaticContact CE2-CD2 3.33Å; F476-Y526 HydrophobicContact CE2-CD2 3.33Å; F476-Y526 AromaticContact CE2-CE2 3.96Å; F476-Y526 HydrophobicContact CE2-CE2 3.96Å; F476-Y526 AromaticContact CE2-CG 3.65Å; F476-Y526 HydrophobicContact CE2-CG 3.65Å; F476-Y526 AromaticContact CZ-CD2 3.85Å; F476-Y526 HydrophobicContact CZ-CD2 3.85Å; F476-Y526 AromaticContact CZ-CE2 3.99Å; F476-Y526 HydrophobicContact CZ-CE2 3.99Å; F476-Y526 HydrophobicContact CZ-CG 4.43Å; F476-L529 HydrophobicContact CB-CD1 3.81Å; F476-L529 HydrophobicContact CD1-CD1 3.95Å; F476-L529 HydrophobicContact CD2-CD1 3.78Å; F476-L529 HydrophobicContact CE1-CD1 4.46Å; F476-L529 HydrophobicContact CE2-CD1 4.33Å; F476-L529 HydrophobicContact CG-CD1 3.57Å; F476-F536 AromaticContact CE1-CE1 3.86Å; F476-F536 HydrophobicContact CE1-CE1 3.86Å; F476-F536 HydrophobicContact CE1-CZ 4.15Å; F476-F536 HydrophobicContact CZ-CE1 4.38Å; F476-F536 HydrophobicContact CZ-CZ 4.22Å
477L97.5Very high94.2Very high32 Ų3239.2 Ų39.217%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-95112.1171.8-176.463.5000108.3L465 D466 V521 W523L465-L477 HydrophobicContact CB-CB 4.46Å; L465-L477 HydrophobicContact CB-CD2 3.98Å; L465-L477 HydrophobicContact CB-CG 4.08Å; L465-L477 PolarHBondContact N-O 3.39Å; D466-L477 HydrophobicContact CB-CB 3.89Å; D466-L477 HydrophobicContact CB-CD2 4.15Å; D466-L477 PolarHBondContact N-O 3.2Å; D466-L477 PolarHBondContact O-N 3.17Å; L477-V521 HydrophobicContact CD1-CG1 3.52Å; L477-V521 HydrophobicContact CD2-CG1 4.44Å; L477-V521 HydrophobicContact CG-CG1 3.99Å; L477-W523 HydrophobicContact CB-CD2 4.01Å; L477-W523 HydrophobicContact CB-CE3 3.82Å; L477-W523 HydrophobicContact CB-CH2 3.74Å; L477-W523 HydrophobicContact CB-CZ2 3.91Å; L477-W523 HydrophobicContact CB-CZ3 3.69Å; L477-W523 HydrophobicContact CD1-CD2 3.93Å; L477-W523 HydrophobicContact CD1-CG 4.08Å; L477-W523 HydrophobicContact CD1-CZ2 4.26Å; L477-W523 HydrophobicContact CD2-CZ2 4.14Å; L477-W523 HydrophobicContact CG-CZ2 4.34Å
478L97.7Very high94.2Very high0 Ų044.3 Ų44.30%022%0.215CC..EExtended strand (participates in β ladder)trans-111147.6-177.9-63.3179.6000111.5I441 A463 M464 F476 V521 F522 I524 L529 F533I441-L478 HydrophobicContact CD1-CD2 3.71Å; I441-L478 HydrophobicContact CG1-CD2 4.22Å; A463-L478 CarbonylContact O-C 3.53Å; A463-L478 WeakPolarHBondContact O-CA 3.4Å; M464-L478 HydrophobicContact CB-CD2 4.04Å; M464-L478 HydrophobicContact CG-CD2 4.29Å; F476-L478 HydrophobicContact CB-CG 4.48Å; L478-V521 CarbonylContact O-C 3.56Å; L478-V521 VanDerWaalsContact O-CA 3.24Å; L478-V521 WeakPolarHBondContact O-CA 3.37Å; L478-F522 HydrophobicContact CB-CD2 4.41Å; L478-F522 HydrophobicContact CB-CE1 4.42Å; L478-F522 HydrophobicContact CB-CE2 3.9Å; L478-F522 HydrophobicContact CB-CZ 3.92Å; L478-F522 HydrophobicContact CD1-CE2 4.04Å; L478-F522 HydrophobicContact CD1-CZ 4.3Å; L478-F522 HydrophobicContact CG-CE2 4.46Å; L478-F522 PolarHBondContact N-O 2.85Å; L478-F522 PolarHBondContact O-N 3.17Å; L478-I524 HydrophobicContact CD1-CG2 3.81Å; L478-I524 HydrophobicContact CG-CG2 4.29Å; L478-L529 HydrophobicContact CD1-CD1 4.4Å; L478-F533 HydrophobicContact CD1-CE1 4.14Å; L478-F533 HydrophobicContact CD1-CE2 4.34Å; L478-F533 HydrophobicContact CD1-CZ 3.69Å
479K94.6Very high94.2Very high2 Ų242 Ų421%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-116.5125.2169.8179.3-179.1-170.3-630110.7C281 I284 A463 L465 S483 V521C281-K479 WeakPolarHBondContact O-CE 3.31Å; I284-K479 PolarHBondContact O-NZ 2.91Å; A463-K479 HydrophobicContact CB-CB 4.24Å; A463-K479 PolarHBondContact N-O 3.17Å; A463-K479 PolarHBondContact O-N 2.91Å; L465-K479 HydrophobicContact CD1-CB 3.87Å; L465-K479 HydrophobicContact CD2-CB 4.36Å; L465-K479 HydrophobicContact CG-CB 4.05Å; K479-S483 PolarHBondContact NZ-OG 3.22Å; K479-V521 HydrophobicContact CB-CG2 4.06Å; K479-V521 HydrophobicContact CD-CG2 4.36Å; K479-V521 HydrophobicContact CG-CG2 3.94Å
480N93.7Very high94.2Very high0 Ų039.6 Ų39.60%020%0.204CC..  trans-72.8124162.8-168.8-24.4000109.7H460 Y462 W482 S483 H484 M485 G520H460-N480 PolarHBondContact NE2-OD1 2.91Å; Y462-N480 HydrophobicContact CD1-CB 4.12Å; Y462-N480 HydrophobicContact CE1-CB 3.78Å; N480-W482 PolarHBondContact O-N 2.89Å; N480-W482 VanDerWaalsContact O-N 3.16Å; N480-W482 WeakPolarHBondContact OD1-CB 3.31Å; N480-W482 PolarHBondContact OD1-N 2.73Å; N480-S483 PolarHBondContact O-N 3.04Å; N480-H484 WeakPolarHBondContact CB-O 3.22Å; N480-H484 VanDerWaalsContact CG-O 3.32Å; N480-H484 PolarHBondContact ND2-O 3.21Å; N480-M485 PolarHBondContact ND2-O 3.45Å; N480-M485 VanDerWaalsContact ND2-O 3.12Å; N480-G520 PolarHBondContact N-O 3.25Å
481P90.8Very high94.3Very high3 Ų338.9 Ų38.92%0.01920%0.2CC..THydrogen-bonded Turntrans-61.5-19.517825-36000113.9Q286 C292 V295 H460 A461 S483Q286-P481 HydrophobicContact CB-CB 4.29Å; Q286-P481 WeakPolarHBondContact CB-O 3.45Å; Q286-P481 PolarHBondContact N-O 2.86Å; C292-P481 HydrophobicContact CB-CG 4.25Å; V295-P481 HydrophobicContact CB-CB 4.03Å; V295-P481 HydrophobicContact CG1-CB 3.83Å; H460-P481 WeakPolarHBondContact NE2-CD 3.2Å; H460-P481 WeakPolarHBondContact NE2-CG 3.37Å; A461-P481 WeakPolarHBondContact O-CD 3.35Å; P481-S483 PolarHBondContact O-N 3.11Å
482W88.7Confident94.3Very high76 Ų7635 Ų3529%0.28818%0.182SC..THydrogen-bonded Turntrans-69-12.7172.8-62-4.5000113.3Q286 V457 H460 N480 H484 M485Q286-W482 VanDerWaalsContact OE1-CD1 3.31Å; V457-W482 HydrophobicContact CB-CH2 4.16Å; V457-W482 HydrophobicContact CB-CZ3 4.38Å; V457-W482 HydrophobicContact CG1-CH2 3.37Å; V457-W482 HydrophobicContact CG1-CZ2 3.86Å; V457-W482 HydrophobicContact CG1-CZ3 4.04Å; V457-W482 HydrophobicContact CG2-CE3 3.96Å; V457-W482 HydrophobicContact CG2-CH2 3.64Å; V457-W482 HydrophobicContact CG2-CZ2 4.41Å; V457-W482 HydrophobicContact CG2-CZ3 3.38Å; H460-W482 AromaticContact CE1-CD1 3.86Å; H460-W482 AromaticContact CE1-CE2 3.67Å; H460-W482 AromaticContact CE1-NE1 3.35Å; H460-W482 PolarHBondContact CE1-NE1 3.3Å; H460-W482 AromaticContact NE2-CE2 3.95Å; H460-W482 AromaticContact NE2-NE1 3.87Å; N480-W482 PolarHBondContact O-N 2.89Å; N480-W482 VanDerWaalsContact O-N 3.16Å; N480-W482 WeakPolarHBondContact OD1-CB 3.31Å; N480-W482 PolarHBondContact OD1-N 2.73Å; W482-H484 PolarHBondContact O-N 3.19Å; W482-H484 PolarHBondContact O-ND1 3.11Å; W482-M485 HydrophobicContact CE3-SD 3.78Å; W482-M485 HydrophobicContact CZ3-CE 4.35Å; W482-M485 HydrophobicContact CZ3-SD 3.57Å; W482-M485 VanDerWaalsContact CZ3-SD 3.57Å
483S84.3Confident94.1Very high20 Ų2032.9 Ų32.914%0.1415%0.154CC..SBendtrans59.325.8-176.9-59.60000113.6I284 K479 N480 P481 N519 G520I284-S483 PolarHBondContact O-OG 2.93Å; I284-S483 VanDerWaalsContact O-OG 3.05Å; K479-S483 PolarHBondContact NZ-OG 3.22Å; N480-S483 PolarHBondContact O-N 3.04Å; P481-S483 PolarHBondContact O-N 3.11Å; S483-N519 CarbonylContact C-O 3.55Å; S483-N519 WeakPolarHBondContact CA-O 3.47Å; S483-N519 CarbonylContact O-C 3.55Å; S483-N519 VanDerWaalsContact O-CA 3.23Å; S483-N519 WeakPolarHBondContact O-CA 3.28Å; S483-G520 PolarHBondContact O-N 3.17Å
484H84.6Confident93.9Very high90 Ų9037.2 Ų37.242%0.41717%0.17SC..  trans-156.9179168.562.4-74.5000108.8N480 W482 D518N480-H484 WeakPolarHBondContact CB-O 3.22Å; N480-H484 VanDerWaalsContact CG-O 3.32Å; N480-H484 PolarHBondContact ND2-O 3.21Å; W482-H484 PolarHBondContact O-N 3.19Å; W482-H484 PolarHBondContact O-ND1 3.11Å; H484-D518 WeakPolarHBondContact CA-OD2 3.38Å
485M89.2Confident93.7Very high67 Ų6735.4 Ų35.433%0.3316%0.164SC..  trans62.6100.5-176.3-66.5-179.56700113.1V457 N480 W482 D518V457-M485 HydrophobicContact CG2-CE 4.13Å; N480-M485 PolarHBondContact ND2-O 3.45Å; N480-M485 VanDerWaalsContact ND2-O 3.12Å; W482-M485 HydrophobicContact CE3-SD 3.78Å; W482-M485 HydrophobicContact CZ3-CE 4.35Å; W482-M485 HydrophobicContact CZ3-SD 3.57Å; W482-M485 VanDerWaalsContact CZ3-SD 3.57Å; M485-D518 PolarHBondContact N-OD2 2.84Å
486R94Very high93.2Very high17 Ų1739.2 Ų39.26%0.06419%0.191CC..  trans-111.5159-177.8-64.2180175.1140-2.7112.4G455 A514 I517 D518 N519 V521 F522G455-R486 WeakPolarHBondContact CA-O 3.47Å; R486-A514 PolarHBondContact NH1-O 3Å; R486-I517 VanDerWaalsContact CZ-O 3.32Å; R486-I517 PolarHBondContact NH1-O 3.2Å; R486-I517 VanDerWaalsContact NH1-O 3.1Å; R486-I517 PolarHBondContact NH2-O 2.87Å; R486-D518 WeakPolarHBondContact CG-OD1 3.38Å; R486-D518 IonicContact CZ-OD1 3.81Å; R486-D518 IonicContact NE-OD1 3.82Å; R486-D518 PolarHBondContact NE-OD1 2.85Å; R486-D518 IonicContact NH1-OD1 3.33Å; R486-D518 IonicContact NH2-OD1 3.5Å; R486-N519 PolarHBondContact NH2-OD1 3.46Å; R486-V521 WeakPolarHBondContact CD-O 3.24Å; R486-V521 PolarHBondContact NE-O 3.1Å; R486-F522 HydrophobicContact CB-CB 4.03Å; R486-F522 HydrophobicContact CB-CD1 3.81Å; R486-F522 HydrophobicContact CB-CG 4.18Å; R486-F522 HydrophobicContact CG-CB 4.18Å; R486-F522 HydrophobicContact CG-CD1 3.93Å; R486-F522 HydrophobicContact CG-CG 4.49Å
487W97.3Very high93Very high12 Ų1246.7 Ų46.75%0.04523%0.226CC..  trans-52134.3164.9172.3-119.5000112.3S454 L456 G489 N490 S492 F522 I524 F532S454-W487 CarbonylContact O-C 3.6Å; S454-W487 WeakPolarHBondContact O-CA 3.32Å; S454-W487 VanDerWaalsContact O-CE3 3.26Å; L456-W487 HydrophobicContact CD1-CE3 3.92Å; L456-W487 HydrophobicContact CD1-CZ3 4.16Å; L456-W487 HydrophobicContact CD2-CB 4.45Å; L456-W487 HydrophobicContact CD2-CE3 4.45Å; L456-W487 HydrophobicContact CG-CE3 3.98Å; W487-G489 VanDerWaalsContact CE2-N 3.28Å; W487-G489 VanDerWaalsContact NE1-C 3.3Å; W487-N490 PolarHBondContact NE1-O 2.81Å; W487-S492 WeakPolarHBondContact O-CB 3.49Å; W487-F522 HydrophobicContact CB-CB 4.41Å; W487-F522 HydrophobicContact CB-CD1 4.4Å; W487-F522 HydrophobicContact CB-CD2 3.22Å; W487-F522 HydrophobicContact CB-CE2 3.37Å; W487-F522 HydrophobicContact CB-CG 3.77Å; W487-F522 HydrophobicContact CB-CZ 4.04Å; W487-F522 HydrophobicContact CG-CD2 4.16Å; W487-F522 HydrophobicContact CG-CE2 4.32Å; W487-I524 HydrophobicContact CD2-CD1 3.77Å; W487-I524 HydrophobicContact CD2-CG1 4.19Å; W487-I524 HydrophobicContact CE3-CD1 4.14Å; W487-I524 HydrophobicContact CG-CB 4.34Å; W487-I524 HydrophobicContact CG-CD1 4.05Å; W487-I524 HydrophobicContact CG-CG1 4.21Å; W487-I524 HydrophobicContact CZ2-CD1 4.32Å; W487-I524 HydrophobicContact CZ2-CG1 4.46Å; W487-F532 AromaticContact CH2-CD2 3.89Å; W487-F532 HydrophobicContact CH2-CD2 3.89Å; W487-F532 AromaticContact CH2-CE2 3.26Å; W487-F532 HydrophobicContact CH2-CE2 3.26Å; W487-F532 AromaticContact CH2-CZ 3.95Å; W487-F532 HydrophobicContact CH2-CZ 3.95Å; W487-F532 HydrophobicContact CZ2-CE2 4.39Å; W487-F532 AromaticContact CZ3-CD2 3.74Å; W487-F532 HydrophobicContact CZ3-CD2 3.74Å; W487-F532 AromaticContact CZ3-CE2 3.42Å; W487-F532 HydrophobicContact CZ3-CE2 3.42Å; W487-F532 VanDerWaalsContact CZ3-CE2 3.42Å; W487-F532 AromaticContact CZ3-CZ 3.95Å; W487-F532 HydrophobicContact CZ3-CZ 3.95Å
488K96.7Very high92.8Very high108 Ų10847.7 Ų47.747%0.4723%0.229SC..  trans-108.3-4.2-175.3-66176.9-179.2174.50114.4E452 S454 S492E452-K488 PolarHBondContact O-NZ 3.49Å; S454-K488 PolarHBondContact O-N 3.05Å; K488-S492 PolarHBondContact O-OG 2.8Å
489G96.5Very high92.6Very high24 Ų2448.4 Ų48.425%0.24723%0.232CC..SBendtrans-93-143.1-178.300000113.4W487 F491 S492W487-G489 VanDerWaalsContact CE2-N 3.28Å; W487-G489 VanDerWaalsContact NE1-C 3.3Å; G489-F491 PolarHBondContact O-N 2.91Å; G489-S492 WeakPolarHBondContact O-CB 3.3Å; G489-S492 PolarHBondContact O-N 3.04Å; G489-S492 PolarHBondContact O-OG 3.2Å
490N97Very high92.6Very high61 Ų6150.7 Ų50.733%0.32625%0.247SC..THydrogen-bonded Turntrans-55.8134.5-176.3-63.4-8.2000111.7W487 S492 D495 H498 D525W487-N490 PolarHBondContact NE1-O 2.81Å; N490-S492 PolarHBondContact O-N 3.39Å; N490-D495 WeakPolarHBondContact CA-OD2 3.36Å; N490-H498 VanDerWaalsContact CG-CE1 3.44Å; N490-H498 PolarHBondContact OD1-CE1 3.47Å; N490-D525 WeakPolarHBondContact CB-OD1 3.37Å
491F96.8Very high92.3Very high1 Ų155.5 Ų55.50%0.00428%0.28CS..THydrogen-bonded Turntrans62.913-175-53.3-82.6000115.2Y473 L475 G489 D495 H498 W499 M503 W523 D525Y473-F491 AromaticContact CD1-CE2 3.82Å; Y473-F491 HydrophobicContact CD1-CE2 3.82Å; Y473-F491 AromaticContact CD1-CZ 3.57Å; Y473-F491 HydrophobicContact CD1-CZ 3.57Å; Y473-F491 AromaticContact CD2-CZ 3.97Å; Y473-F491 HydrophobicContact CD2-CZ 3.97Å; Y473-F491 HydrophobicContact CE1-CE2 4.2Å; Y473-F491 AromaticContact CE1-CZ 3.89Å; Y473-F491 HydrophobicContact CE1-CZ 3.89Å; Y473-F491 HydrophobicContact CE2-CZ 4.26Å; Y473-F491 HydrophobicContact CG-CE2 4.23Å; Y473-F491 AromaticContact CG-CZ 3.6Å; Y473-F491 HydrophobicContact CG-CZ 3.6Å; L475-F491 HydrophobicContact CD1-CD1 4.46Å; L475-F491 HydrophobicContact CD2-CD1 4.14Å; L475-F491 HydrophobicContact CD2-CD2 3.66Å; L475-F491 HydrophobicContact CD2-CE1 4.25Å; L475-F491 HydrophobicContact CD2-CE2 3.77Å; L475-F491 HydrophobicContact CD2-CG 3.85Å; L475-F491 HydrophobicContact CD2-CZ 4.06Å; G489-F491 PolarHBondContact O-N 2.91Å; F491-D495 PolarHBondContact N-OD2 2.92Å; F491-H498 HydrophobicContact CD1-CB 4.05Å; F491-H498 HydrophobicContact CD2-CB 4.5Å; F491-H498 HydrophobicContact CE1-CB 3.56Å; F491-H498 HydrophobicContact CE2-CB 4.08Å; F491-H498 HydrophobicContact CG-CB 4.49Å; F491-H498 HydrophobicContact CZ-CB 3.59Å; F491-W499 HydrophobicContact CB-CH2 4.27Å; F491-W499 HydrophobicContact CB-CZ2 3.72Å; F491-W499 HydrophobicContact CD1-CD2 4.06Å; F491-W499 HydrophobicContact CD1-CE3 4.07Å; F491-W499 HydrophobicContact CD1-CH2 4.12Å; F491-W499 HydrophobicContact CD1-CZ2 4.13Å; F491-W499 HydrophobicContact CD1-CZ3 4.08Å; F491-W499 HydrophobicContact CG-CZ2 4.44Å; F491-W499 WeakPolarHBondContact O-CZ2 3.49Å; F491-W499 PolarHBondContact O-NE1 2.72Å; F491-M503 HydrophobicContact CD1-SD 3.86Å; F491-M503 HydrophobicContact CE1-CE 3.81Å; F491-M503 HydrophobicContact CE1-SD 3.43Å; F491-M503 WeakPolarHBondContact CE1-SD 3.41Å; F491-M503 HydrophobicContact CZ-CE 4.38Å; F491-M503 HydrophobicContact CZ-SD 4.45Å; F491-W523 HydrophobicContact CB-CB 4.25Å; F491-D525 HydrophobicContact CD2-CB 3.76Å; F491-D525 HydrophobicContact CE2-CB 3.76Å
492S95.9Very high92.3Very high2 Ų259 Ų591%0.01430%0.302CS..SBendtrans-63166.7164.966.50000111.4W487 K488 G489 N490 R494 D495 W499W487-S492 WeakPolarHBondContact O-CB 3.49Å; K488-S492 PolarHBondContact O-OG 2.8Å; G489-S492 WeakPolarHBondContact O-CB 3.3Å; G489-S492 PolarHBondContact O-N 3.04Å; G489-S492 PolarHBondContact O-OG 3.2Å; N490-S492 PolarHBondContact O-N 3.39Å; S492-R494 PolarHBondContact O-N 2.61Å; S492-R494 VanDerWaalsContact O-N 3.14Å; S492-R494 PolarHBondContact OG-N 2.79Å; S492-D495 WeakPolarHBondContact O-CB 3.31Å; S492-D495 PolarHBondContact O-N 3.22Å; S492-D495 VanDerWaalsContact O-N 3.15Å; S492-D495 PolarHBondContact OG-N 3Å; S492-W499 PolarHBondContact O-NE1 2.77Å
493E88.6Confident92.5Very high21 Ų2155.4 Ų55.410%0.09829%0.288CS..THydrogen-bonded Turntrans-64.2-16.5174.576.3-69.5166.100113.3F509 R511 A514 Q515E493-F509 HydrophobicContact CB-CZ 4.49Å; E493-R511 WeakPolarHBondContact O-CD 3.43Å; E493-R511 WeakPolarHBondContact O-CG 3.45Å; E493-A514 HydrophobicContact CB-CB 3.6Å; E493-A514 HydrophobicContact CG-CB 4.45Å; E493-Q515 HydrophobicContact CB-CG 4.11Å; E493-Q515 HydrophobicContact CG-CG 3.89Å; E493-Q515 VanDerWaalsContact O-CG 3.26Å; E493-Q515 WeakPolarHBondContact O-CG 3.04Å; E493-Q515 PolarHBondContact O-NE2 2.78Å
494R91.9Very high92.7Very high190 Ų19056.5 Ų56.572%0.71729%0.291SS*.THydrogen-bonded Turntrans-95-9.6178.6-62.1-176.8-177-144.6-2.9113.2S492 S496S492-R494 PolarHBondContact O-N 2.61Å; S492-R494 VanDerWaalsContact O-N 3.14Å; S492-R494 PolarHBondContact OG-N 2.79Å; R494-S496 PolarHBondContact O-N 2.78Å
495D94.2Very high92.6Very high17 Ų1754.7 Ų54.79%0.09129%0.292CS..  trans-69.5121.5179.7-173.30.4000110.9N490 F491 S492 Q497 H498 W499 R511N490-D495 WeakPolarHBondContact CA-OD2 3.36Å; F491-D495 PolarHBondContact N-OD2 2.92Å; S492-D495 WeakPolarHBondContact O-CB 3.31Å; S492-D495 PolarHBondContact O-N 3.22Å; S492-D495 VanDerWaalsContact O-N 3.15Å; S492-D495 PolarHBondContact OG-N 3Å; D495-Q497 PolarHBondContact OD1-N 2.75Å; D495-H498 PolarHBondContact OD1-N 3.48Å; D495-H498 IonicContact OD1-ND1 2.95Å; D495-H498 PolarHBondContact OD1-ND1 3.37Å; D495-H498 WeakPolarHBondContact OD2-CB 3.15Å; D495-H498 IonicContact OD2-CE1 3.2Å; D495-H498 IonicContact OD2-CG 3.85Å; D495-H498 IonicContact OD2-ND1 3.88Å; D495-H498 PolarHBondContact OD2-ND1 3.29Å; D495-W499 VanDerWaalsContact O-CD1 3.31Å; D495-R511 WeakPolarHBondContact O-CD 3.45Å; D495-R511 PolarHBondContact O-NH1 3.32Å
496S88.8Confident92.4Very high80 Ų8057.7 Ų57.756%0.55930%0.303SS*.SBendtrans-104.5-6.1175.367.40000113.3R494R494-S496 PolarHBondContact O-N 2.78Å
497Q93.3Very high92.1Very high158 Ų15858 Ų5874%0.73831%0.305SS*.SBendtrans-95.1-48.6-171.7-61-60.8-28.800111.8D495D495-Q497 PolarHBondContact OD1-N 2.75Å
498H94.4Very high91.3Very high52 Ų5259.3 Ų59.324%0.24131%0.313CS..SBendtrans-90-25.9-172.6-5590.3000114N490 F491 D495 T500N490-H498 VanDerWaalsContact CG-CE1 3.44Å; N490-H498 PolarHBondContact OD1-CE1 3.47Å; F491-H498 HydrophobicContact CD1-CB 4.05Å; F491-H498 HydrophobicContact CD2-CB 4.5Å; F491-H498 HydrophobicContact CE1-CB 3.56Å; F491-H498 HydrophobicContact CE2-CB 4.08Å; F491-H498 HydrophobicContact CG-CB 4.49Å; F491-H498 HydrophobicContact CZ-CB 3.59Å; D495-H498 PolarHBondContact OD1-N 3.48Å; D495-H498 IonicContact OD1-ND1 2.95Å; D495-H498 PolarHBondContact OD1-ND1 3.37Å; D495-H498 WeakPolarHBondContact OD2-CB 3.15Å; D495-H498 IonicContact OD2-CE1 3.2Å; D495-H498 IonicContact OD2-CG 3.85Å; D495-H498 IonicContact OD2-ND1 3.88Å; D495-H498 PolarHBondContact OD2-ND1 3.29Å; H498-T500 PolarHBondContact O-N 2.77Å; H498-T500 VanDerWaalsContact O-N 3.16Å
499W93.8Very high90.7Very high15 Ų1555.5 Ų55.56%0.05730%0.297CS..  trans-70.5110.6-179.3-79.2122000112F491 S492 D495 M503 Q504 L507 F509 W523F491-W499 HydrophobicContact CB-CH2 4.27Å; F491-W499 HydrophobicContact CB-CZ2 3.72Å; F491-W499 HydrophobicContact CD1-CD2 4.06Å; F491-W499 HydrophobicContact CD1-CE3 4.07Å; F491-W499 HydrophobicContact CD1-CH2 4.12Å; F491-W499 HydrophobicContact CD1-CZ2 4.13Å; F491-W499 HydrophobicContact CD1-CZ3 4.08Å; F491-W499 HydrophobicContact CG-CZ2 4.44Å; F491-W499 WeakPolarHBondContact O-CZ2 3.49Å; F491-W499 PolarHBondContact O-NE1 2.72Å; S492-W499 PolarHBondContact O-NE1 2.77Å; D495-W499 VanDerWaalsContact O-CD1 3.31Å; W499-M503 HydrophobicContact CE3-CB 4.41Å; W499-M503 HydrophobicContact CE3-CG 4.07Å; W499-M503 HydrophobicContact CE3-SD 3.68Å; W499-M503 HydrophobicContact CZ3-CG 3.76Å; W499-M503 HydrophobicContact CZ3-SD 3.5Å; W499-M503 WeakPolarHBondContact CZ3-SD 3.5Å; W499-Q504 HydrophobicContact CD2-CG 4.4Å; W499-Q504 HydrophobicContact CE3-CG 3.99Å; W499-L507 HydrophobicContact CH2-CD1 3.99Å; W499-L507 HydrophobicContact CZ3-CD1 3.79Å; W499-F509 HydrophobicContact CD2-CD1 4.18Å; W499-F509 HydrophobicContact CD2-CE1 4.23Å; W499-F509 AromaticContact CE2-CD1 3.74Å; W499-F509 AromaticContact CE2-CE1 3.47Å; W499-F509 VanDerWaalsContact CE2-CE1 3.47Å; W499-F509 HydrophobicContact CE3-CD1 4.28Å; W499-F509 AromaticContact CH2-CD1 3.6Å; W499-F509 HydrophobicContact CH2-CD1 3.6Å; W499-F509 HydrophobicContact CH2-CE1 4.04Å; W499-F509 HydrophobicContact CH2-CG 4.17Å; W499-F509 AromaticContact CZ2-CD1 3.42Å; W499-F509 HydrophobicContact CZ2-CD1 3.42Å; W499-F509 VanDerWaalsContact CZ2-CD1 3.42Å; W499-F509 AromaticContact CZ2-CE1 3.35Å; W499-F509 HydrophobicContact CZ2-CE1 3.35Å; W499-F509 HydrophobicContact CZ2-CG 4.27Å; W499-F509 HydrophobicContact CZ2-CZ 4.14Å; W499-F509 HydrophobicContact CZ3-CD1 4.02Å; W499-F509 AromaticContact NE1-CE1 3.74Å; W499-W523 HydrophobicContact CH2-CB 3.94Å; W499-W523 AromaticContact CH2-CD1 3.67Å; W499-W523 AromaticContact CH2-CG 3.85Å; W499-W523 HydrophobicContact CH2-CG 3.85Å; W499-W523 HydrophobicContact CZ2-CB 3.91Å; W499-W523 AromaticContact CZ2-CD1 3.99Å; W499-W523 HydrophobicContact CZ2-CG 4.19Å
500T93.4Very high89.8Confident51 Ų5157.5 Ų57.531%0.31330%0.302SS..  trans-89.3155.7167.573.40000111E471 H498 T502 M503 Q504E471-T500 PolarHBondContact OE1-OG1 3.28Å; E471-T500 WeakPolarHBondContact OE2-CG2 3.43Å; E471-T500 PolarHBondContact OE2-OG1 2.69Å; H498-T500 PolarHBondContact O-N 2.77Å; H498-T500 VanDerWaalsContact O-N 3.16Å; T500-T502 VanDerWaalsContact C-N 3.28Å; T500-T502 PolarHBondContact O-N 2.79Å; T500-M503 PolarHBondContact O-N 3.4Å; T500-M503 WeakPolarHBondContact OG1-CB 3.45Å; T500-M503 PolarHBondContact OG1-N 3.02Å; T500-Q504 PolarHBondContact O-N 3.42Å; T500-Q504 PolarHBondContact O-NE2 3.3Å
501S88.6Confident89.2Confident101 Ų10157.8 Ų57.871%0.70630%0.299SS*.Hα-helixtrans-61.8-38.6175.5-530000111.7Q504 A505S501-Q504 PolarHBondContact O-N 3.11Å; S501-A505 PolarHBondContact O-N 3.29Å
502T90.4Very high88.2Confident76 Ų7661 Ų6147%0.46632%0.321SS..Hα-helixtrans-64.9-42177.5-55.40000111.4E471 T500 A505 K506E471-T502 WeakPolarHBondContact OE1-CB 3.46Å; E471-T502 WeakPolarHBondContact OE1-CG2 3.21Å; T500-T502 VanDerWaalsContact C-N 3.28Å; T500-T502 PolarHBondContact O-N 2.79Å; T502-A505 PolarHBondContact O-N 2.66Å; T502-K506 HydrophobicContact CG2-CD 4.2Å; T502-K506 WeakPolarHBondContact O-CB 3.5Å; T502-K506 WeakPolarHBondContact O-CG 3.3Å; T502-K506 PolarHBondContact O-N 2.93Å
503M92.5Very high87Confident1 Ų162.5 Ų62.51%0.00533%0.331CS..Hα-helixtrans-65.5-45.3176.8-170.2-176.1-68.300111.9V470 E471 Y473 L475 F491 W499 T500 A505 K506 L507V470-M503 HydrophobicContact CB-CG 4.4Å; V470-M503 HydrophobicContact CG1-CB 4.34Å; V470-M503 HydrophobicContact CG1-CG 3.93Å; E471-M503 HydrophobicContact CB-CE 4.19Å; E471-M503 PolarHBondContact OE1-N 3.3Å; Y473-M503 HydrophobicContact CD2-CE 3.77Å; Y473-M503 HydrophobicContact CE2-CE 4.49Å; Y473-M503 HydrophobicContact CG-CE 4.42Å; L475-M503 HydrophobicContact CD1-SD 3.77Å; F491-M503 HydrophobicContact CD1-SD 3.86Å; F491-M503 HydrophobicContact CE1-CE 3.81Å; F491-M503 HydrophobicContact CE1-SD 3.43Å; F491-M503 WeakPolarHBondContact CE1-SD 3.41Å; F491-M503 HydrophobicContact CZ-CE 4.38Å; F491-M503 HydrophobicContact CZ-SD 4.45Å; W499-M503 HydrophobicContact CE3-CB 4.41Å; W499-M503 HydrophobicContact CE3-CG 4.07Å; W499-M503 HydrophobicContact CE3-SD 3.68Å; W499-M503 HydrophobicContact CZ3-CG 3.76Å; W499-M503 HydrophobicContact CZ3-SD 3.5Å; W499-M503 WeakPolarHBondContact CZ3-SD 3.5Å; T500-M503 PolarHBondContact O-N 3.4Å; T500-M503 WeakPolarHBondContact OG1-CB 3.45Å; T500-M503 PolarHBondContact OG1-N 3.02Å; M503-A505 VanDerWaalsContact C-N 3.3Å; M503-A505 PolarHBondContact O-N 2.64Å; M503-K506 PolarHBondContact O-N 2.94Å; M503-L507 HydrophobicContact CG-CD1 3.78Å; M503-L507 HydrophobicContact CG-CG 4.3Å; M503-L507 WeakPolarHBondContact O-CB 3.35Å; M503-L507 WeakPolarHBondContact O-CG 3.29Å; M503-L507 PolarHBondContact O-N 3.25Å; M503-L507 HydrophobicContact SD-CD1 4.4Å
504Q89Confident86.5Confident42 Ų4262.1 Ų62.120%0.19633%0.332CS..Hα-helixtrans-57.5-42.6175.6-79.1177.783.400111.9W499 T500 S501 N508 F509W499-Q504 HydrophobicContact CD2-CG 4.4Å; W499-Q504 HydrophobicContact CE3-CG 3.99Å; T500-Q504 PolarHBondContact O-N 3.42Å; T500-Q504 PolarHBondContact O-NE2 3.3Å; S501-Q504 PolarHBondContact O-N 3.11Å; Q504-N508 CarbonylContact O-C 3.5Å; Q504-N508 WeakPolarHBondContact O-CA 3.24Å; Q504-N508 PolarHBondContact O-N 3.23Å; Q504-N508 VanDerWaalsContact O-N 3.08Å; Q504-F509 WeakPolarHBondContact CB-O 3.49Å; Q504-F509 HydrophobicContact CG-CD1 4.34Å; Q504-F509 WeakPolarHBondContact CG-O 3.46Å; Q504-F509 PolarHBondContact O-N 3Å
505A83.4Confident85.8Confident53 Ų5357.9 Ų57.944%0.43832%0.32SS..Hα-helixtrans-64.5-48.6175.900000112.2S501 T502 M503 L507 N508S501-A505 PolarHBondContact O-N 3.29Å; T502-A505 PolarHBondContact O-N 2.66Å; M503-A505 VanDerWaalsContact C-N 3.3Å; M503-A505 PolarHBondContact O-N 2.64Å; A505-L507 VanDerWaalsContact C-N 3.33Å; A505-L507 PolarHBondContact O-N 3.25Å; A505-N508 PolarHBondContact O-N 3.17Å; A505-N508 VanDerWaalsContact O-N 3.14Å
506K84.4Confident84.6Confident130 Ų13063.7 Ų63.757%0.56535%0.35SS*.Hα-helixtrans-63.4-35.9-179-76.8176.5179.4171.20113.5V470 T502 M503 N508V470-K506 HydrophobicContact CG1-CB 4.45Å; V470-K506 HydrophobicContact CG1-CD 3.77Å; T502-K506 HydrophobicContact CG2-CD 4.2Å; T502-K506 WeakPolarHBondContact O-CB 3.5Å; T502-K506 WeakPolarHBondContact O-CG 3.3Å; T502-K506 PolarHBondContact O-N 2.93Å; M503-K506 PolarHBondContact O-N 2.94Å; K506-N508 VanDerWaalsContact C-N 3.31Å
507L87.4Confident83.7Confident22 Ų2262.3 Ų62.312%0.11534%0.337CS..THydrogen-bonded Turntrans-89.3-0.4178.7-61.6-179.8000112.8R468 V470 L475 W499 M503 A505 F509 W523R468-L507 HydrophobicContact CB-CD2 3.82Å; R468-L507 HydrophobicContact CG-CD2 3.76Å; V470-L507 HydrophobicContact CG2-CD2 3.81Å; V470-L507 HydrophobicContact CG2-CG 4.37Å; L475-L507 HydrophobicContact CD1-CD1 3.62Å; W499-L507 HydrophobicContact CH2-CD1 3.99Å; W499-L507 HydrophobicContact CZ3-CD1 3.79Å; M503-L507 HydrophobicContact CG-CD1 3.78Å; M503-L507 HydrophobicContact CG-CG 4.3Å; M503-L507 WeakPolarHBondContact O-CB 3.35Å; M503-L507 WeakPolarHBondContact O-CG 3.29Å; M503-L507 PolarHBondContact O-N 3.25Å; M503-L507 HydrophobicContact SD-CD1 4.4Å; A505-L507 VanDerWaalsContact C-N 3.33Å; A505-L507 PolarHBondContact O-N 3.25Å; L507-F509 HydrophobicContact CB-CB 4.16Å; L507-F509 PolarHBondContact O-N 3.15Å; L507-F509 VanDerWaalsContact O-N 3.16Å; L507-W523 HydrophobicContact CB-CZ2 4.06Å; L507-W523 HydrophobicContact CD1-CD2 4.28Å; L507-W523 HydrophobicContact CD1-CZ2 4.18Å; L507-W523 HydrophobicContact CD2-CH2 3.94Å; L507-W523 HydrophobicContact CD2-CZ2 3.98Å; L507-W523 HydrophobicContact CG-CZ2 4.31Å
508N80.8Confident83Confident40 Ų4058.5 Ų58.521%0.21432%0.321CS..THydrogen-bonded Turntrans45.142.5-169-169.652.8000112.3L42 Q504 A505 K506L42-N508 HydrophobicContact CD1-CB 4.41Å; L42-N508 WeakPolarHBondContact CD1-ND2 3.31Å; L42-N508 HydrophobicContact CD2-CB 4.04Å; L42-N508 WeakPolarHBondContact CD2-ND2 3.27Å; Q504-N508 CarbonylContact O-C 3.5Å; Q504-N508 WeakPolarHBondContact O-CA 3.24Å; Q504-N508 PolarHBondContact O-N 3.23Å; Q504-N508 VanDerWaalsContact O-N 3.08Å; A505-N508 PolarHBondContact O-N 3.17Å; A505-N508 VanDerWaalsContact O-N 3.14Å; K506-N508 VanDerWaalsContact C-N 3.31Å
509F84.1Confident82.3Confident29 Ų2958.8 Ų58.813%0.12733%0.325CS..  trans-103.1116.9-177.7179.8-110.5000110.2E493 W499 Q504 L507 R511 A514 W523E493-F509 HydrophobicContact CB-CZ 4.49Å; W499-F509 HydrophobicContact CD2-CD1 4.18Å; W499-F509 HydrophobicContact CD2-CE1 4.23Å; W499-F509 AromaticContact CE2-CD1 3.74Å; W499-F509 AromaticContact CE2-CE1 3.47Å; W499-F509 VanDerWaalsContact CE2-CE1 3.47Å; W499-F509 HydrophobicContact CE3-CD1 4.28Å; W499-F509 AromaticContact CH2-CD1 3.6Å; W499-F509 HydrophobicContact CH2-CD1 3.6Å; W499-F509 HydrophobicContact CH2-CE1 4.04Å; W499-F509 HydrophobicContact CH2-CG 4.17Å; W499-F509 AromaticContact CZ2-CD1 3.42Å; W499-F509 HydrophobicContact CZ2-CD1 3.42Å; W499-F509 VanDerWaalsContact CZ2-CD1 3.42Å; W499-F509 AromaticContact CZ2-CE1 3.35Å; W499-F509 HydrophobicContact CZ2-CE1 3.35Å; W499-F509 HydrophobicContact CZ2-CG 4.27Å; W499-F509 HydrophobicContact CZ2-CZ 4.14Å; W499-F509 HydrophobicContact CZ3-CD1 4.02Å; W499-F509 AromaticContact NE1-CE1 3.74Å; Q504-F509 WeakPolarHBondContact CB-O 3.49Å; Q504-F509 HydrophobicContact CG-CD1 4.34Å; Q504-F509 WeakPolarHBondContact CG-O 3.46Å; Q504-F509 PolarHBondContact O-N 3Å; L507-F509 HydrophobicContact CB-CB 4.16Å; L507-F509 PolarHBondContact O-N 3.15Å; L507-F509 VanDerWaalsContact O-N 3.16Å; F509-R511 HydrophobicContact CE1-CB 4.08Å; F509-R511 HydrophobicContact CE1-CG 4.36Å; F509-A514 HydrophobicContact CE2-CB 3.89Å; F509-A514 HydrophobicContact CZ-CB 3.83Å; F509-W523 AromaticContact CD2-CD1 3.63Å; F509-W523 AromaticContact CD2-NE1 3.81Å; F509-W523 AromaticContact CG-CD1 3.8Å; F509-W523 AromaticContact CG-NE1 3.92Å
510D78Confident82.1Confident66 Ų6658.1 Ų58.135%0.35332%0.322SS..  trans-100.7100.6177-172.6-42.1000110.4K66 S512 S513 A514K66-D510 VanDerWaalsContact CE-OD2 3.32Å; K66-D510 WeakPolarHBondContact CE-OD2 3.16Å; K66-D510 IonicContact NZ-OD1 3.72Å; K66-D510 PolarHBondContact NZ-OD1 3.48Å; K66-D510 IonicContact NZ-OD2 2.6Å; K66-D510 PolarHBondContact NZ-OD2 3.46Å; D510-S512 VanDerWaalsContact C-N 3.29Å; D510-S512 PolarHBondContact O-N 3.29Å; D510-S512 PolarHBondContact OD1-N 2.83Å; D510-S512 VanDerWaalsContact OD1-N 3.11Å; D510-S513 WeakPolarHBondContact O-CB 3.32Å; D510-S513 PolarHBondContact O-N 3.27Å; D510-S513 PolarHBondContact OD1-N 2.96Å; D510-A514 PolarHBondContact O-N 3.47Å
511R82.8Confident82Confident67 Ų6756.5 Ų56.525%0.25331%0.312SS..Hα-helixtrans-59.2-40.1-177.8-167-175.376.1-159.2-1.6112.5E493 D495 F509 S513 A514 Q515E493-R511 WeakPolarHBondContact O-CD 3.43Å; E493-R511 WeakPolarHBondContact O-CG 3.45Å; D495-R511 WeakPolarHBondContact O-CD 3.45Å; D495-R511 PolarHBondContact O-NH1 3.32Å; F509-R511 HydrophobicContact CE1-CB 4.08Å; F509-R511 HydrophobicContact CE1-CG 4.36Å; R511-S513 VanDerWaalsContact C-N 3.35Å; R511-S513 PolarHBondContact O-N 3.32Å; R511-A514 PolarHBondContact O-N 3.08Å; R511-Q515 WeakPolarHBondContact O-CG 3.49Å; R511-Q515 PolarHBondContact O-N 3.5Å
512S77.4Confident82.4Confident68 Ų6851.9 Ų51.948%0.47628%0.279SS..Hα-helixtrans-66.9-38.9-178.5-54.90000111.3D510 L516D510-S512 VanDerWaalsContact C-N 3.29Å; D510-S512 PolarHBondContact O-N 3.29Å; D510-S512 PolarHBondContact OD1-N 2.83Å; D510-S512 VanDerWaalsContact OD1-N 3.11Å; S512-L516 WeakPolarHBondContact O-CG 3.26Å; S512-L516 PolarHBondContact O-N 3.27Å
513S69.6Low82.7Confident33 Ų3348.7 Ų48.723%0.23126%0.259CS..Hα-helixtrans-61.5-46.7172.5-159.40000111.7K66 D510 R511 Q515 L516 I517K66-S513 VanDerWaalsContact CE-CB 3.41Å; K66-S513 WeakPolarHBondContact CE-OG 3.47Å; D510-S513 WeakPolarHBondContact O-CB 3.32Å; D510-S513 PolarHBondContact O-N 3.27Å; D510-S513 PolarHBondContact OD1-N 2.96Å; R511-S513 VanDerWaalsContact C-N 3.35Å; R511-S513 PolarHBondContact O-N 3.32Å; S513-Q515 VanDerWaalsContact C-N 3.3Å; S513-Q515 PolarHBondContact O-N 3.01Å; S513-L516 PolarHBondContact O-N 3.23Å; S513-L516 VanDerWaalsContact O-N 3.12Å; S513-I517 PolarHBondContact O-N 2.74Å
514A77.7Confident83Confident13 Ų1348.6 Ų48.611%0.10726%0.258CS..Hα-helixtrans-63.5-35.8-177.200000111.9R486 E493 F509 D510 R511 L516R486-A514 PolarHBondContact NH1-O 3Å; E493-A514 HydrophobicContact CB-CB 3.6Å; E493-A514 HydrophobicContact CG-CB 4.45Å; F509-A514 HydrophobicContact CE2-CB 3.89Å; F509-A514 HydrophobicContact CZ-CB 3.83Å; D510-A514 PolarHBondContact O-N 3.47Å; R511-A514 PolarHBondContact O-N 3.08Å; A514-L516 VanDerWaalsContact C-N 3.3Å; A514-L516 PolarHBondContact O-N 2.64Å
515Q78.5Confident83.4Confident102 Ų10247.1 Ų47.148%0.47725%0.252SS..Hα-helixtrans-65.4-29.3174.7-72.7177.3-11.600113.9E493 R511 S513E493-Q515 HydrophobicContact CB-CG 4.11Å; E493-Q515 HydrophobicContact CG-CG 3.89Å; E493-Q515 VanDerWaalsContact O-CG 3.26Å; E493-Q515 WeakPolarHBondContact O-CG 3.04Å; E493-Q515 PolarHBondContact O-NE2 2.78Å; R511-Q515 WeakPolarHBondContact O-CG 3.49Å; R511-Q515 PolarHBondContact O-N 3.5Å; S513-Q515 VanDerWaalsContact C-N 3.3Å; S513-Q515 PolarHBondContact O-N 3.01Å
516L68.9Low84.1Confident138 Ų13844.6 Ų44.672%0.72323%0.231SC*.Hα-helixtrans-81.5-32.4-177.4-69.9170.1000113.2S512 S513 A514S512-L516 WeakPolarHBondContact O-CG 3.26Å; S512-L516 PolarHBondContact O-N 3.27Å; S513-L516 PolarHBondContact O-N 3.23Å; S513-L516 VanDerWaalsContact O-N 3.12Å; A514-L516 VanDerWaalsContact C-N 3.3Å; A514-L516 PolarHBondContact O-N 2.64Å
517I68.3Low84.6Confident52 Ų5243.2 Ų43.227%0.26723%0.23SC..  trans-134.3117.7-170.9-58.5176.9000109.1K69 R486 S513K69-I517 HydrophobicContact CB-CD1 3.73Å; K69-I517 HydrophobicContact CD-CD1 3.28Å; K69-I517 HydrophobicContact CG-CD1 3.74Å; R486-I517 VanDerWaalsContact CZ-O 3.32Å; R486-I517 PolarHBondContact NH1-O 3.2Å; R486-I517 VanDerWaalsContact NH1-O 3.1Å; R486-I517 PolarHBondContact NH2-O 2.87Å; S513-I517 PolarHBondContact O-N 2.74Å
518D79.6Confident85Confident77 Ų7743 Ų4341%0.41223%0.23SC..  trans-84.6120.7168.9-166.21.1000110.8H484 M485 R486 G520H484-D518 WeakPolarHBondContact CA-OD2 3.38Å; M485-D518 PolarHBondContact N-OD2 2.84Å; R486-D518 WeakPolarHBondContact CG-OD1 3.38Å; R486-D518 IonicContact CZ-OD1 3.81Å; R486-D518 IonicContact NE-OD1 3.82Å; R486-D518 PolarHBondContact NE-OD1 2.85Å; R486-D518 IonicContact NH1-OD1 3.33Å; R486-D518 IonicContact NH2-OD1 3.5Å; D518-G520 PolarHBondContact OD1-N 2.92Å
519N80.3Confident85.7Confident59 Ų5941.1 Ų41.132%0.31622%0.22SC..  trans-123.911.6172.670.2-8000111.7S483 R486 V521S483-N519 CarbonylContact C-O 3.55Å; S483-N519 WeakPolarHBondContact CA-O 3.47Å; S483-N519 CarbonylContact O-C 3.55Å; S483-N519 VanDerWaalsContact O-CA 3.23Å; S483-N519 WeakPolarHBondContact O-CA 3.28Å; R486-N519 PolarHBondContact NH2-OD1 3.46Å; N519-V521 PolarHBondContact O-N 2.9Å; N519-V521 VanDerWaalsContact OD1-CB 3.3Å; N519-V521 WeakPolarHBondContact OD1-CB 3.38Å; N519-V521 PolarHBondContact OD1-N 2.82Å
520G88.9Confident86.2Confident0 Ų041 Ų410%022%0.223CC..SBendtrans71.65.9-178.600000115.1N480 S483 D518N480-G520 PolarHBondContact N-O 3.25Å; S483-G520 PolarHBondContact O-N 3.17Å; D518-G520 PolarHBondContact OD1-N 2.92Å
521V91.9Very high86.9Confident18 Ų1844.5 Ų44.511%0.10924%0.236CC..EExtended strand (participates in β ladder)trans-98130.3179.6-177.10000110.3F282 L465 L477 L478 K479 R486 N519F282-V521 HydrophobicContact CD1-CG2 3.98Å; F282-V521 HydrophobicContact CE1-CG2 3.75Å; L465-V521 HydrophobicContact CD1-CG1 4.11Å; L465-V521 HydrophobicContact CD1-CG2 4.27Å; L477-V521 HydrophobicContact CD1-CG1 3.52Å; L477-V521 HydrophobicContact CD2-CG1 4.44Å; L477-V521 HydrophobicContact CG-CG1 3.99Å; L478-V521 CarbonylContact O-C 3.56Å; L478-V521 VanDerWaalsContact O-CA 3.24Å; L478-V521 WeakPolarHBondContact O-CA 3.37Å; K479-V521 HydrophobicContact CB-CG2 4.06Å; K479-V521 HydrophobicContact CD-CG2 4.36Å; K479-V521 HydrophobicContact CG-CG2 3.94Å; R486-V521 WeakPolarHBondContact CD-O 3.24Å; R486-V521 PolarHBondContact NE-O 3.1Å; N519-V521 PolarHBondContact O-N 2.9Å; N519-V521 VanDerWaalsContact OD1-CB 3.3Å; N519-V521 WeakPolarHBondContact OD1-CB 3.38Å; N519-V521 PolarHBondContact OD1-N 2.82Å
522F95.6Very high87.5Confident4 Ų443 Ų432%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-151.8153.1-177.357.7-92.6000112.5L456 Y462 L478 R486 W487 I524L456-F522 HydrophobicContact CD2-CE2 4.24Å; L456-F522 HydrophobicContact CD2-CZ 3.78Å; Y462-F522 HydrophobicContact CD1-CE1 4.06Å; Y462-F522 AromaticContact CD1-CZ 3.91Å; Y462-F522 HydrophobicContact CD1-CZ 3.91Å; Y462-F522 AromaticContact CE1-CE1 3.87Å; Y462-F522 HydrophobicContact CE1-CE1 3.87Å; Y462-F522 AromaticContact CE1-CZ 3.82Å; Y462-F522 HydrophobicContact CE1-CZ 3.82Å; L478-F522 HydrophobicContact CB-CD2 4.41Å; L478-F522 HydrophobicContact CB-CE1 4.42Å; L478-F522 HydrophobicContact CB-CE2 3.9Å; L478-F522 HydrophobicContact CB-CZ 3.92Å; L478-F522 HydrophobicContact CD1-CE2 4.04Å; L478-F522 HydrophobicContact CD1-CZ 4.3Å; L478-F522 HydrophobicContact CG-CE2 4.46Å; L478-F522 PolarHBondContact N-O 2.85Å; L478-F522 PolarHBondContact O-N 3.17Å; R486-F522 HydrophobicContact CB-CB 4.03Å; R486-F522 HydrophobicContact CB-CD1 3.81Å; R486-F522 HydrophobicContact CB-CG 4.18Å; R486-F522 HydrophobicContact CG-CB 4.18Å; R486-F522 HydrophobicContact CG-CD1 3.93Å; R486-F522 HydrophobicContact CG-CG 4.49Å; W487-F522 HydrophobicContact CB-CB 4.41Å; W487-F522 HydrophobicContact CB-CD1 4.4Å; W487-F522 HydrophobicContact CB-CD2 3.22Å; W487-F522 HydrophobicContact CB-CE2 3.37Å; W487-F522 HydrophobicContact CB-CG 3.77Å; W487-F522 HydrophobicContact CB-CZ 4.04Å; W487-F522 HydrophobicContact CG-CD2 4.16Å; W487-F522 HydrophobicContact CG-CE2 4.32Å; F522-I524 HydrophobicContact CD2-CB 4.35Å; F522-I524 HydrophobicContact CE2-CB 4.33Å; F522-I524 HydrophobicContact CE2-CG2 4.34Å
523W97.7Very high88.4Confident8 Ų839.9 Ų39.93%0.0321%0.209CC..EExtended strand (participates in β ladder)trans-87145.3166.7-71.8102.8000110.1D466 R468 L475 F476 L477 F491 W499 L507 F509D466-W523 HydrophobicContact CB-CH2 4.05Å; R468-W523 HydrophobicContact CB-CH2 4.37Å; R468-W523 HydrophobicContact CB-CZ3 4.41Å; R468-W523 HydrophobicContact CG-CH2 3.89Å; R468-W523 HydrophobicContact CG-CZ3 4.36Å; L475-W523 HydrophobicContact CB-CE3 3.71Å; L475-W523 HydrophobicContact CB-CZ3 3.94Å; F476-W523 WeakPolarHBondContact O-CA 3.41Å; L477-W523 HydrophobicContact CB-CD2 4.01Å; L477-W523 HydrophobicContact CB-CE3 3.82Å; L477-W523 HydrophobicContact CB-CH2 3.74Å; L477-W523 HydrophobicContact CB-CZ2 3.91Å; L477-W523 HydrophobicContact CB-CZ3 3.69Å; L477-W523 HydrophobicContact CD1-CD2 3.93Å; L477-W523 HydrophobicContact CD1-CG 4.08Å; L477-W523 HydrophobicContact CD1-CZ2 4.26Å; L477-W523 HydrophobicContact CD2-CZ2 4.14Å; L477-W523 HydrophobicContact CG-CZ2 4.34Å; F491-W523 HydrophobicContact CB-CB 4.25Å; W499-W523 HydrophobicContact CH2-CB 3.94Å; W499-W523 AromaticContact CH2-CD1 3.67Å; W499-W523 AromaticContact CH2-CG 3.85Å; W499-W523 HydrophobicContact CH2-CG 3.85Å; W499-W523 HydrophobicContact CZ2-CB 3.91Å; W499-W523 AromaticContact CZ2-CD1 3.99Å; W499-W523 HydrophobicContact CZ2-CG 4.19Å; L507-W523 HydrophobicContact CB-CZ2 4.06Å; L507-W523 HydrophobicContact CD1-CD2 4.28Å; L507-W523 HydrophobicContact CD1-CZ2 4.18Å; L507-W523 HydrophobicContact CD2-CH2 3.94Å; L507-W523 HydrophobicContact CD2-CZ2 3.98Å; L507-W523 HydrophobicContact CG-CZ2 4.31Å; F509-W523 AromaticContact CD2-CD1 3.63Å; F509-W523 AromaticContact CD2-NE1 3.81Å; F509-W523 AromaticContact CG-CD1 3.8Å; F509-W523 AromaticContact CG-NE1 3.92Å
524I98.2Very high89.5Confident0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-140.9142.6172.3-173.6169.1000108.7L475 F476 L478 W487 F522 L529 F533L475-I524 WeakPolarHBondContact CA-O 3.44Å; F476-I524 HydrophobicContact CB-CG2 4.12Å; F476-I524 PolarHBondContact N-O 2.92Å; F476-I524 PolarHBondContact O-N 3.15Å; L478-I524 HydrophobicContact CD1-CG2 3.81Å; L478-I524 HydrophobicContact CG-CG2 4.29Å; W487-I524 HydrophobicContact CD2-CD1 3.77Å; W487-I524 HydrophobicContact CD2-CG1 4.19Å; W487-I524 HydrophobicContact CE3-CD1 4.14Å; W487-I524 HydrophobicContact CG-CB 4.34Å; W487-I524 HydrophobicContact CG-CD1 4.05Å; W487-I524 HydrophobicContact CG-CG1 4.21Å; W487-I524 HydrophobicContact CZ2-CD1 4.32Å; W487-I524 HydrophobicContact CZ2-CG1 4.46Å; F522-I524 HydrophobicContact CD2-CB 4.35Å; F522-I524 HydrophobicContact CE2-CB 4.33Å; F522-I524 HydrophobicContact CE2-CG2 4.34Å; I524-L529 HydrophobicContact CD1-CB 4.44Å; I524-L529 HydrophobicContact CG2-CB 4.42Å; I524-L529 HydrophobicContact CG2-CD1 4.14Å; I524-F533 HydrophobicContact CD1-CE2 4.15Å
525D97.8Very high90.4Very high10 Ų1040.5 Ų40.55%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-76.2154.4172.772-80000111.9R474 L475 N490 F491 D527 S528 L529R474-D525 CarbonylContact O-C 3.56Å; R474-D525 WeakPolarHBondContact O-CA 3.39Å; L475-D525 HydrophobicContact CD2-CB 4.01Å; N490-D525 WeakPolarHBondContact CB-OD1 3.37Å; F491-D525 HydrophobicContact CD2-CB 3.76Å; F491-D525 HydrophobicContact CE2-CB 3.76Å; D525-D527 VanDerWaalsContact C-N 3.27Å; D525-D527 PolarHBondContact O-N 2.79Å; D525-D527 WeakPolarHBondContact OD2-CA 3.34Å; D525-D527 WeakPolarHBondContact OD2-CB 3.39Å; D525-D527 PolarHBondContact OD2-N 3.3Å; D525-S528 PolarHBondContact O-N 2.87Å; D525-S528 WeakPolarHBondContact OD1-CB 3.46Å; D525-S528 PolarHBondContact OD1-OG 2.87Å; D525-S528 PolarHBondContact OD2-N 2.98Å; D525-S528 PolarHBondContact OD2-OG 2.66Å; D525-L529 WeakPolarHBondContact O-CB 3.41Å; D525-L529 PolarHBondContact O-N 3.37Å
526Y97.6Very high91.2Very high1 Ų135.7 Ų35.70%0.00419%0.186CC..Hα-helixtrans-69.3-23.5-174.1-169.9-147.4000113.4K421 F425 R474 F476 L529 C530 F536K421-Y526 HydrophobicContact CB-CE1 4.37Å; K421-Y526 HydrophobicContact CD-CD1 4.19Å; K421-Y526 HydrophobicContact CD-CE1 3.91Å; K421-Y526 WeakPolarHBondContact CE-O 3.25Å; K421-Y526 HydrophobicContact CG-CD1 3.88Å; K421-Y526 HydrophobicContact CG-CE1 3.13Å; K421-Y526 HydrophobicContact CG-CE2 4.45Å; K421-Y526 VanDerWaalsContact NZ-C 3.31Å; K421-Y526 PolarHBondContact NZ-O 3.01Å; K421-Y526 VanDerWaalsContact O-CE1 3.22Å; K421-Y526 WeakPolarHBondContact O-CE1 3.38Å; K421-Y526 PolarHBondContact O-OH 3.23Å; F425-Y526 HydrophobicContact CB-CD1 4.07Å; F425-Y526 HydrophobicContact CB-CE1 3.48Å; F425-Y526 VanDerWaalsContact CB-CE1 3.48Å; F425-Y526 AromaticContact CD2-CD1 3.82Å; F425-Y526 HydrophobicContact CD2-CD1 3.82Å; F425-Y526 HydrophobicContact CD2-CE1 4.01Å; F425-Y526 HydrophobicContact CD2-CG 4.22Å; F425-Y526 HydrophobicContact CG-CD1 4.17Å; F425-Y526 HydrophobicContact CG-CE1 4.08Å; R474-Y526 HydrophobicContact CB-CD1 4.3Å; R474-Y526 HydrophobicContact CB-CG 4.46Å; R474-Y526 WeakPolarHBondContact O-CB 3.2Å; R474-Y526 PolarHBondContact O-N 2.84Å; F476-Y526 HydrophobicContact CD2-CD2 4.16Å; F476-Y526 HydrophobicContact CD2-CG 4.46Å; F476-Y526 HydrophobicContact CE2-CD1 4.46Å; F476-Y526 AromaticContact CE2-CD2 3.33Å; F476-Y526 HydrophobicContact CE2-CD2 3.33Å; F476-Y526 AromaticContact CE2-CE2 3.96Å; F476-Y526 HydrophobicContact CE2-CE2 3.96Å; F476-Y526 AromaticContact CE2-CG 3.65Å; F476-Y526 HydrophobicContact CE2-CG 3.65Å; F476-Y526 AromaticContact CZ-CD2 3.85Å; F476-Y526 HydrophobicContact CZ-CD2 3.85Å; F476-Y526 AromaticContact CZ-CE2 3.99Å; F476-Y526 HydrophobicContact CZ-CE2 3.99Å; F476-Y526 HydrophobicContact CZ-CG 4.43Å; Y526-L529 HydrophobicContact CD2-CB 4.41Å; Y526-L529 HydrophobicContact CD2-CD2 4.24Å; Y526-L529 HydrophobicContact CE2-CD2 4.33Å; Y526-C530 WeakPolarHBondContact CE2-SG 3.27Å; Y526-C530 WeakPolarHBondContact O-CB 3.41Å; Y526-C530 PolarHBondContact O-N 3.26Å; Y526-C530 PolarHBondContact O-SG 3.28Å; Y526-C530 VanDerWaalsContact O-SG 3.34Å; Y526-F536 HydrophobicContact CE2-CE2 4.26Å; Y526-F536 AromaticContact CE2-CZ 3.99Å; Y526-F536 HydrophobicContact CE2-CZ 3.99Å
527D95.1Very high92.6Very high101 Ų10129.8 Ų29.854%0.5415%0.154SC..Hα-helixtrans-69.6-49.3172.9-65.1-63.4000111.2K421 D525 L529 C530 H531K421-D527 VanDerWaalsContact NZ-CG 3.32Å; K421-D527 IonicContact NZ-OD1 2.93Å; K421-D527 PolarHBondContact NZ-OD1 3.44Å; D525-D527 VanDerWaalsContact C-N 3.27Å; D525-D527 PolarHBondContact O-N 2.79Å; D525-D527 WeakPolarHBondContact OD2-CA 3.34Å; D525-D527 WeakPolarHBondContact OD2-CB 3.39Å; D525-D527 PolarHBondContact OD2-N 3.3Å; D527-L529 VanDerWaalsContact C-N 3.34Å; D527-L529 PolarHBondContact O-N 3.49Å; D527-C530 PolarHBondContact O-N 2.83Å; D527-H531 PolarHBondContact O-N 3.32Å
528S96.1Very high94Very high17 Ų1727.3 Ų27.312%0.11914%0.142CC..Hα-helixtrans-59.3-44.1171.2-60.40000111.9D525 C530 H531 F532D525-S528 PolarHBondContact O-N 2.87Å; D525-S528 WeakPolarHBondContact OD1-CB 3.46Å; D525-S528 PolarHBondContact OD1-OG 2.87Å; D525-S528 PolarHBondContact OD2-N 2.98Å; D525-S528 PolarHBondContact OD2-OG 2.66Å; S528-C530 PolarHBondContact O-N 2.92Å; S528-H531 WeakPolarHBondContact O-CB 3.24Å; S528-H531 PolarHBondContact O-N 3.15Å; S528-F532 WeakPolarHBondContact O-CD2 3.38Å; S528-F532 PolarHBondContact O-N 3.43Å; S528-F532 VanDerWaalsContact O-N 3.16Å
529L96.5Very high94.9Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-58.7-49.2178.4-172.4156.8000111.6I412 I441 F476 L478 I524 D525 Y526 D527 H531 F532 F533 F536I412-L529 HydrophobicContact CD1-CD2 4.16Å; I441-L529 HydrophobicContact CD1-CD1 3.71Å; I441-L529 HydrophobicContact CD1-CD2 4.48Å; I441-L529 HydrophobicContact CG2-CD2 4.27Å; F476-L529 HydrophobicContact CB-CD1 3.81Å; F476-L529 HydrophobicContact CD1-CD1 3.95Å; F476-L529 HydrophobicContact CD2-CD1 3.78Å; F476-L529 HydrophobicContact CE1-CD1 4.46Å; F476-L529 HydrophobicContact CE2-CD1 4.33Å; F476-L529 HydrophobicContact CG-CD1 3.57Å; L478-L529 HydrophobicContact CD1-CD1 4.4Å; I524-L529 HydrophobicContact CD1-CB 4.44Å; I524-L529 HydrophobicContact CG2-CB 4.42Å; I524-L529 HydrophobicContact CG2-CD1 4.14Å; D525-L529 WeakPolarHBondContact O-CB 3.41Å; D525-L529 PolarHBondContact O-N 3.37Å; Y526-L529 HydrophobicContact CD2-CB 4.41Å; Y526-L529 HydrophobicContact CD2-CD2 4.24Å; Y526-L529 HydrophobicContact CE2-CD2 4.33Å; D527-L529 VanDerWaalsContact C-N 3.34Å; D527-L529 PolarHBondContact O-N 3.49Å; L529-H531 PolarHBondContact O-N 2.8Å; L529-H531 VanDerWaalsContact O-N 3.16Å; L529-F532 PolarHBondContact O-N 3.31Å; L529-F533 HydrophobicContact CB-CD2 4.42Å; L529-F533 HydrophobicContact CD2-CB 4.21Å; L529-F533 HydrophobicContact CD2-CD2 4.47Å; L529-F533 HydrophobicContact CD2-CG 4.45Å; L529-F533 HydrophobicContact CG-CD2 3.88Å; L529-F533 HydrophobicContact CG-CE2 4.34Å; L529-F533 HydrophobicContact CG-CG 4.26Å; L529-F533 WeakPolarHBondContact O-CB 3.38Å; L529-F533 VanDerWaalsContact O-CD2 3.28Å; L529-F533 WeakPolarHBondContact O-CD2 3.39Å; L529-F533 PolarHBondContact O-N 3.07Å; L529-F536 HydrophobicContact CD2-CE1 4.46Å; L529-F536 HydrophobicContact CD2-CE2 4.15Å; L529-F536 HydrophobicContact CD2-CZ 3.67Å
530C94.4Very high95.8Very high28 Ų2821.2 Ų21.219%0.18911%0.109CC..Hα-helixtrans-64.9-17.8178.2-72.70000114I412 K421 Y526 D527 S528I412-C530 HydrophobicContact CG2-CB 3.98Å; K421-C530 VanDerWaalsContact CE-SG 3.52Å; Y526-C530 WeakPolarHBondContact CE2-SG 3.27Å; Y526-C530 WeakPolarHBondContact O-CB 3.41Å; Y526-C530 PolarHBondContact O-N 3.26Å; Y526-C530 PolarHBondContact O-SG 3.28Å; Y526-C530 VanDerWaalsContact O-SG 3.34Å; D527-C530 PolarHBondContact O-N 2.83Å; S528-C530 PolarHBondContact O-N 2.92Å
531H93Very high96.3Very high138 Ų13822.4 Ų22.464%0.63912%0.115SC*.Hα-helixtrans-81-42.5176.8-176.373.2000112.4D527 S528 L529D527-H531 PolarHBondContact O-N 3.32Å; S528-H531 WeakPolarHBondContact O-CB 3.24Å; S528-H531 PolarHBondContact O-N 3.15Å; L529-H531 PolarHBondContact O-N 2.8Å; L529-H531 VanDerWaalsContact O-N 3.16Å
532F94.8Very high96.5Very high35 Ų3523.1 Ų23.115%0.15412%0.12CC..Hα-helixtrans-97.7-18.7-174.2-64.6-74.9000114.9L446 L456 W487 S528 L529L446-F532 HydrophobicContact CD2-CD1 4.22Å; L456-F532 HydrophobicContact CD1-CB 3.5Å; L456-F532 HydrophobicContact CD1-CD1 4.37Å; L456-F532 HydrophobicContact CD1-CD2 4.09Å; L456-F532 HydrophobicContact CD1-CG 3.74Å; W487-F532 AromaticContact CH2-CD2 3.89Å; W487-F532 HydrophobicContact CH2-CD2 3.89Å; W487-F532 AromaticContact CH2-CE2 3.26Å; W487-F532 HydrophobicContact CH2-CE2 3.26Å; W487-F532 AromaticContact CH2-CZ 3.95Å; W487-F532 HydrophobicContact CH2-CZ 3.95Å; W487-F532 HydrophobicContact CZ2-CE2 4.39Å; W487-F532 AromaticContact CZ3-CD2 3.74Å; W487-F532 HydrophobicContact CZ3-CD2 3.74Å; W487-F532 AromaticContact CZ3-CE2 3.42Å; W487-F532 HydrophobicContact CZ3-CE2 3.42Å; W487-F532 VanDerWaalsContact CZ3-CE2 3.42Å; W487-F532 AromaticContact CZ3-CZ 3.95Å; W487-F532 HydrophobicContact CZ3-CZ 3.95Å; S528-F532 WeakPolarHBondContact O-CD2 3.38Å; S528-F532 PolarHBondContact O-N 3.43Å; S528-F532 VanDerWaalsContact O-N 3.16Å; L529-F532 PolarHBondContact O-N 3.31Å
533F95.7Very high96.6Very high3 Ų325.8 Ų25.81%0.01315%0.148CC..EExtended strand (participates in β ladder)trans-105.8141.3-174.8-66.4-104.5000111.9I412 I441 T443 L456 Y462 L478 I524 L529I412-F533 WeakPolarHBondContact CB-O 3.27Å; I412-F533 HydrophobicContact CD1-CB 3.98Å; I412-F533 WeakPolarHBondContact CG2-O 3.43Å; I441-F533 HydrophobicContact CB-CD1 3.98Å; I441-F533 HydrophobicContact CB-CE1 4.3Å; I441-F533 HydrophobicContact CG2-CB 3.82Å; I441-F533 HydrophobicContact CG2-CD1 3.43Å; I441-F533 VanDerWaalsContact CG2-CD1 3.43Å; I441-F533 HydrophobicContact CG2-CE1 4.21Å; I441-F533 HydrophobicContact CG2-CG 3.84Å; T443-F533 HydrophobicContact CG2-CD1 3.8Å; T443-F533 HydrophobicContact CG2-CD2 4.48Å; T443-F533 HydrophobicContact CG2-CE1 3.68Å; T443-F533 HydrophobicContact CG2-CE2 4.37Å; T443-F533 HydrophobicContact CG2-CG 4.23Å; T443-F533 HydrophobicContact CG2-CZ 3.99Å; L456-F533 HydrophobicContact CD1-CE2 3.75Å; L456-F533 HydrophobicContact CD1-CZ 4.22Å; L456-F533 HydrophobicContact CD2-CE2 4.31Å; L456-F533 HydrophobicContact CD2-CZ 4.04Å; Y462-F533 AromaticContact CD2-CE1 3.62Å; Y462-F533 HydrophobicContact CD2-CE1 3.62Å; Y462-F533 HydrophobicContact CD2-CZ 4.17Å; Y462-F533 HydrophobicContact CE2-CE1 4.13Å; Y462-F533 HydrophobicContact CE2-CZ 4.41Å; Y462-F533 HydrophobicContact CG-CE1 4.14Å; Y462-F533 HydrophobicContact CG-CZ 4.49Å; L478-F533 HydrophobicContact CD1-CE1 4.14Å; L478-F533 HydrophobicContact CD1-CE2 4.34Å; L478-F533 HydrophobicContact CD1-CZ 3.69Å; I524-F533 HydrophobicContact CD1-CE2 4.15Å; L529-F533 HydrophobicContact CB-CD2 4.42Å; L529-F533 HydrophobicContact CD2-CB 4.21Å; L529-F533 HydrophobicContact CD2-CD2 4.47Å; L529-F533 HydrophobicContact CD2-CG 4.45Å; L529-F533 HydrophobicContact CG-CD2 3.88Å; L529-F533 HydrophobicContact CG-CE2 4.34Å; L529-F533 HydrophobicContact CG-CG 4.26Å; L529-F533 WeakPolarHBondContact O-CB 3.38Å; L529-F533 VanDerWaalsContact O-CD2 3.28Å; L529-F533 WeakPolarHBondContact O-CD2 3.39Å; L529-F533 PolarHBondContact O-N 3.07Å
534D93.9Very high96.5Very high54 Ų5427.1 Ų27.129%0.28916%0.156SC..EExtended strand (participates in β ladder)trans-98.3-24.6-173.8-100.6-10.5000113.1S411 I412 A442 G444S411-D534 WeakPolarHBondContact CA-O 3.3Å; S411-D534 PolarHBondContact OG-O 3.36Å; I412-D534 PolarHBondContact N-O 2.91Å; A442-D534 PolarHBondContact O-N 3.2Å; G444-D534 WeakPolarHBondContact CA-OD2 3.36Å
535V94.9Very high96.6Very high6 Ų628 Ų284%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-155.7137.5-167.163.30000113.5R409 I410 I441 A442 Y537R409-V535 HydrophobicContact CG-CG2 3.57Å; I410-V535 CarbonylContact O-C 3.54Å; I410-V535 VanDerWaalsContact O-CA 3.3Å; I410-V535 WeakPolarHBondContact O-CA 3.48Å; I410-V535 WeakPolarHBondContact O-CG2 3.4Å; I441-V535 WeakPolarHBondContact CA-O 3.48Å; I441-V535 WeakPolarHBondContact CG2-O 3.5Å; A442-V535 HydrophobicContact CB-CG1 3.75Å; A442-V535 PolarHBondContact N-O 2.59Å; V535-Y537 HydrophobicContact CG1-CD2 4.21Å; V535-Y537 HydrophobicContact CG1-CE1 4.39Å; V535-Y537 HydrophobicContact CG1-CE2 3.56Å; V535-Y537 HydrophobicContact CG2-CD1 4.05Å; V535-Y537 HydrophobicContact CG2-CE1 3.68Å; V535-Y537 HydrophobicContact CG2-CE2 4.28Å; V535-Y537 HydrophobicContact CG2-CG 4.47Å
536F96.7Very high96.5Very high1 Ų132.6 Ų32.60%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-93.6132158.4-72.1-87.6000109.7I410 I412 F419 L428 V439 I441 F476 Y526 L529 I538I410-F536 HydrophobicContact CB-CB 4.26Å; I410-F536 PolarHBondContact N-O 3.27Å; I410-F536 PolarHBondContact O-N 3.01Å; I412-F536 HydrophobicContact CD1-CD2 3.39Å; I412-F536 HydrophobicContact CD1-CE2 3.37Å; I412-F536 HydrophobicContact CD1-CG 4.23Å; I412-F536 HydrophobicContact CD1-CZ 4.22Å; I412-F536 HydrophobicContact CG1-CD2 3.5Å; I412-F536 HydrophobicContact CG1-CE2 3.7Å; F419-F536 HydrophobicContact CZ-CE2 4.48Å; L428-F536 HydrophobicContact CD1-CD1 3.9Å; L428-F536 HydrophobicContact CD1-CE1 3.74Å; L428-F536 HydrophobicContact CD1-CZ 4.26Å; V439-F536 HydrophobicContact CG1-CD1 3.91Å; I441-F536 HydrophobicContact CD1-CD1 3.82Å; I441-F536 HydrophobicContact CD1-CE1 3.3Å; I441-F536 HydrophobicContact CD1-CZ 4.12Å; I441-F536 HydrophobicContact CG1-CD1 3.7Å; I441-F536 HydrophobicContact CG1-CE1 3.76Å; I441-F536 HydrophobicContact CG2-CD1 4.21Å; I441-F536 HydrophobicContact CG2-CE1 4.26Å; F476-F536 AromaticContact CE1-CE1 3.86Å; F476-F536 HydrophobicContact CE1-CE1 3.86Å; F476-F536 HydrophobicContact CE1-CZ 4.15Å; F476-F536 HydrophobicContact CZ-CE1 4.38Å; F476-F536 HydrophobicContact CZ-CZ 4.22Å; Y526-F536 HydrophobicContact CE2-CE2 4.26Å; Y526-F536 AromaticContact CE2-CZ 3.99Å; Y526-F536 HydrophobicContact CE2-CZ 3.99Å; L529-F536 HydrophobicContact CD2-CE1 4.46Å; L529-F536 HydrophobicContact CD2-CE2 4.15Å; L529-F536 HydrophobicContact CD2-CZ 3.67Å; F536-I538 HydrophobicContact CB-CG1 4.38Å
537Y97.6Very high96.6Very high13 Ų1336.1 Ų36.15%0.05120%0.195CC..EExtended strand (participates in β ladder)trans-109.5116.3168.2-69.4-55.1000107.9N394 N396 R409 V439 T440 A442 V535N394-Y537 HydrophobicContact CB-CE1 3.91Å; N394-Y537 HydrophobicContact CB-CE2 4.12Å; N394-Y537 PolarHBondContact OD1-OH 3.17Å; N396-Y537 HydrophobicContact CB-CD1 3.8Å; N396-Y537 HydrophobicContact CB-CG 4.2Å; N396-Y537 VanDerWaalsContact OD1-CD1 3.3Å; N396-Y537 WeakPolarHBondContact OD1-CD1 3.49Å; N396-Y537 WeakPolarHBondContact OD1-CE1 3.26Å; R409-Y537 HydrophobicContact CB-CD1 4.33Å; R409-Y537 HydrophobicContact CB-CE1 4.33Å; R409-Y537 HydrophobicContact CG-CD1 4.13Å; R409-Y537 HydrophobicContact CG-CE1 3.77Å; V439-Y537 WeakPolarHBondContact CA-O 3.44Å; T440-Y537 PolarHBondContact N-O 3.17Å; T440-Y537 PolarHBondContact O-N 3.23Å; T440-Y537 VanDerWaalsContact O-O 3.13Å; T440-Y537 WeakPolarHBondContact OG1-CB 3.47Å; T440-Y537 PolarHBondContact OG1-O 3.46Å; A442-Y537 HydrophobicContact CB-CD2 4.42Å; A442-Y537 HydrophobicContact CB-CE2 3.95Å; V535-Y537 HydrophobicContact CG1-CD2 4.21Å; V535-Y537 HydrophobicContact CG1-CE1 4.39Å; V535-Y537 HydrophobicContact CG1-CE2 3.56Å; V535-Y537 HydrophobicContact CG2-CD1 4.05Å; V535-Y537 HydrophobicContact CG2-CE1 3.68Å; V535-Y537 HydrophobicContact CG2-CE2 4.28Å; V535-Y537 HydrophobicContact CG2-CG 4.47Å
538I98.5Very high96.7Very high0 Ų034.7 Ų34.70%019%0.19CC..EExtended strand (participates in β ladder)trans-118.9135.9-176.2-53167.1000108.3P407 E408 I410 L428 C437 L438 V439 F536 W540P407-I538 CarbonylContact C-O 3.57Å; E408-I538 HydrophobicContact CB-CB 4.37Å; E408-I538 PolarHBondContact N-O 3.43Å; E408-I538 PolarHBondContact O-N 2.79Å; I410-I538 HydrophobicContact CD1-CD1 3.49Å; I410-I538 VanDerWaalsContact CD1-CD1 3.49Å; I410-I538 HydrophobicContact CG1-CD1 4.31Å; L428-I538 HydrophobicContact CD2-CD1 3.59Å; L428-I538 HydrophobicContact CD2-CG1 4.1Å; C437-I538 HydrophobicContact CB-CG2 3.74Å; L438-I538 CarbonylContact O-C 3.46Å; L438-I538 WeakPolarHBondContact O-CA 3.32Å; V439-I538 HydrophobicContact CG1-CG1 4.35Å; V439-I538 HydrophobicContact CG2-CG1 4.38Å; V439-I538 HydrophobicContact CG2-CG2 4.34Å; F536-I538 HydrophobicContact CB-CG1 4.38Å; I538-W540 HydrophobicContact CD1-CZ2 4.2Å; I538-W540 HydrophobicContact CG2-CD2 3.99Å; I538-W540 HydrophobicContact CG2-CG 4.28Å; I538-W540 HydrophobicContact CG2-CZ2 3.83Å
539N98.7Very high96.7Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-116.3126.3166.6-68.367.7000108.4N396 L399 H400 W405 I406 C437 L438N396-N539 VanDerWaalsContact CA-OD1 3.31Å; N396-N539 WeakPolarHBondContact CA-OD1 3.19Å; N396-N539 PolarHBondContact O-ND2 2.64Å; L399-N539 HydrophobicContact CB-CB 4.03Å; L399-N539 WeakPolarHBondContact CB-ND2 3.25Å; L399-N539 VanDerWaalsContact CB-OD1 3.29Å; L399-N539 WeakPolarHBondContact CB-OD1 3.27Å; L399-N539 HydrophobicContact CD1-CB 4.25Å; L399-N539 VanDerWaalsContact CD1-OD1 3.32Å; L399-N539 WeakPolarHBondContact CD1-OD1 3.29Å; H400-N539 PolarHBondContact N-ND2 2.81Å; H400-N539 VanDerWaalsContact N-ND2 3.19Å; W405-N539 HydrophobicContact CB-CB 3.76Å; W405-N539 PolarHBondContact O-ND2 3.3Å; I406-N539 CarbonylContact O-C 3.55Å; I406-N539 VanDerWaalsContact O-CA 3.27Å; I406-N539 WeakPolarHBondContact O-CA 3.32Å; C437-N539 CarbonylContact C-O 3.54Å; C437-N539 WeakPolarHBondContact CA-O 3.49Å; L438-N539 HydrophobicContact CB-CB 4.44Å; L438-N539 PolarHBondContact N-O 2.9Å; L438-N539 PolarHBondContact O-N 3.07Å
540W98.7Very high96.6Very high8 Ų838 Ų383%0.0321%0.21CC..EExtended strand (participates in β ladder)trans-98.4140.4-176-6294.1000111.6W405 I406 E408 R427 R431 C437 I538 P542 L544 W587W405-W540 VanDerWaalsContact CB-O 3.32Å; W405-W540 WeakPolarHBondContact CB-O 3.45Å; W405-W540 VanDerWaalsContact CE3-C 3.5Å; I406-W540 HydrophobicContact CB-CB 4.25Å; I406-W540 PolarHBondContact N-O 3.44Å; I406-W540 PolarHBondContact O-N 2.89Å; E408-W540 PolarHBondContact OE2-NE1 2.81Å; R427-W540 HydrophobicContact CG-CH2 4.4Å; R431-W540 HydrophobicContact CB-CH2 4.22Å; R431-W540 HydrophobicContact CB-CZ3 3.7Å; R431-W540 HydrophobicContact CG-CH2 4.15Å; R431-W540 HydrophobicContact CG-CZ3 3.75Å; C437-W540 HydrophobicContact CB-CD2 4.13Å; C437-W540 HydrophobicContact CB-CE3 3.67Å; C437-W540 HydrophobicContact CB-CH2 4.41Å; C437-W540 HydrophobicContact CB-CZ3 3.82Å; I538-W540 HydrophobicContact CD1-CZ2 4.2Å; I538-W540 HydrophobicContact CG2-CD2 3.99Å; I538-W540 HydrophobicContact CG2-CG 4.28Å; I538-W540 HydrophobicContact CG2-CZ2 3.83Å; W540-P542 WeakPolarHBondContact O-CD 3.31Å; W540-P542 VanDerWaalsContact O-N 3.16Å; W540-L544 HydrophobicContact CB-CD1 4.44Å; W540-L544 HydrophobicContact CE3-CD1 4.12Å; W540-W587 HydrophobicContact CB-CH2 4.29Å; W540-W587 HydrophobicContact CB-CZ3 3.91Å; W540-W587 AromaticContact CD1-CH2 3.59Å; W540-W587 AromaticContact CD1-CZ3 3.39Å; W540-W587 AromaticContact CD2-CH2 3.83Å; W540-W587 HydrophobicContact CD2-CH2 3.83Å; W540-W587 HydrophobicContact CD2-CZ3 4.27Å; W540-W587 AromaticContact CE2-CH2 3.87Å; W540-W587 AromaticContact CG-CH2 3.65Å; W540-W587 HydrophobicContact CG-CH2 3.65Å; W540-W587 AromaticContact CG-CZ3 3.59Å; W540-W587 HydrophobicContact CG-CZ3 3.59Å; W540-W587 AromaticContact NE1-CH2 3.66Å; W540-W587 AromaticContact NE1-CZ3 3.9Å
541D98.2Very high96.7Very high25 Ų2538.1 Ų38.113%0.13421%0.21CC..  trans-59.4116174.7-174.3-9.2000109.1W405 H436 G543 L544W405-D541 HydrophobicContact CD2-CB 4.35Å; W405-D541 HydrophobicContact CE3-CB 4.18Å; W405-D541 VanDerWaalsContact CE3-N 3.31Å; W405-D541 HydrophobicContact CH2-CB 3.63Å; W405-D541 HydrophobicContact CZ2-CB 3.84Å; W405-D541 HydrophobicContact CZ3-CB 3.82Å; H436-D541 PolarHBondContact O-N 3.22Å; D541-G543 PolarHBondContact O-N 2.9Å; D541-G543 VanDerWaalsContact O-N 3.17Å; D541-G543 WeakPolarHBondContact OD1-CA 3.26Å; D541-G543 PolarHBondContact OD1-N 3.26Å; D541-L544 HydrophobicContact CB-CG 4.34Å; D541-L544 WeakPolarHBondContact O-CB 3.44Å; D541-L544 WeakPolarHBondContact O-CD1 3.42Å; D541-L544 WeakPolarHBondContact O-CG 3.22Å; D541-L544 PolarHBondContact O-N 2.99Å; D541-L544 VanDerWaalsContact O-N 3.1Å
542P97.9Very high96.9Very high34 Ų3431.7 Ų31.722%0.22118%0.18CC..G310 helixtrans-63.5-20.3178.126.5-32.9000111.9I406 W540 L544 F545 Y673I406-P542 HydrophobicContact CD1-CB 4.31Å; I406-P542 HydrophobicContact CG1-CB 4.27Å; W540-P542 WeakPolarHBondContact O-CD 3.31Å; W540-P542 VanDerWaalsContact O-N 3.16Å; P542-L544 PolarHBondContact O-N 3.21Å; P542-L544 VanDerWaalsContact O-N 3.08Å; P542-F545 PolarHBondContact O-N 3Å; P542-Y673 HydrophobicContact CB-CD1 4.49Å; P542-Y673 HydrophobicContact CB-CE1 3.94Å
543G96.3Very high97Very high59 Ų5930.9 Ų30.961%0.60818%0.177SC*.G310 helixtrans-63.9-7173.300000114.7D541 F545D541-G543 PolarHBondContact O-N 2.9Å; D541-G543 VanDerWaalsContact O-N 3.17Å; D541-G543 WeakPolarHBondContact OD1-CA 3.26Å; D541-G543 PolarHBondContact OD1-N 3.26Å; G543-F545 PolarHBondContact O-N 2.85Å
544L97.1Very high97Very high36 Ų3632.4 Ų32.419%0.18819%0.188CC..G310 helixtrans-65.3-19.7167.7-67.5172.8000113.1H436 W540 D541 P542 Q546H436-L544 HydrophobicContact CB-CD1 4.21Å; H436-L544 HydrophobicContact CB-CD2 4.08Å; W540-L544 HydrophobicContact CB-CD1 4.44Å; W540-L544 HydrophobicContact CE3-CD1 4.12Å; D541-L544 HydrophobicContact CB-CG 4.34Å; D541-L544 WeakPolarHBondContact O-CB 3.44Å; D541-L544 WeakPolarHBondContact O-CD1 3.42Å; D541-L544 WeakPolarHBondContact O-CG 3.22Å; D541-L544 PolarHBondContact O-N 2.99Å; D541-L544 VanDerWaalsContact O-N 3.1Å; P542-L544 PolarHBondContact O-N 3.21Å; P542-L544 VanDerWaalsContact O-N 3.08Å; L544-Q546 PolarHBondContact O-NE2 3.39Å
545F98.4Very high96.9Very high19 Ų1930 Ų308%0.08318%0.175CC..  trans-114.4132.7-176.5-59.1-86000110.4I406 P542 G543 W587 Y673 T675I406-F545 HydrophobicContact CD1-CD2 3.88Å; I406-F545 HydrophobicContact CD1-CE2 3.68Å; P542-F545 PolarHBondContact O-N 3Å; G543-F545 PolarHBondContact O-N 2.85Å; F545-W587 HydrophobicContact CE1-CB 4.45Å; F545-W587 HydrophobicContact CE1-CD2 4.35Å; F545-W587 HydrophobicContact CE1-CG 4.04Å; F545-W587 HydrophobicContact CE2-CD2 4.09Å; F545-W587 HydrophobicContact CE2-CE3 4.03Å; F545-W587 HydrophobicContact CE2-CG 4.44Å; F545-W587 HydrophobicContact CE2-CZ3 4.43Å; F545-W587 HydrophobicContact CZ-CB 4.17Å; F545-W587 AromaticContact CZ-CD1 3.82Å; F545-W587 AromaticContact CZ-CD2 3.44Å; F545-W587 HydrophobicContact CZ-CD2 3.44Å; F545-W587 VanDerWaalsContact CZ-CD2 3.44Å; F545-W587 AromaticContact CZ-CE2 3.66Å; F545-W587 AromaticContact CZ-CE3 3.86Å; F545-W587 HydrophobicContact CZ-CE3 3.86Å; F545-W587 AromaticContact CZ-CG 3.58Å; F545-W587 HydrophobicContact CZ-CG 3.58Å; F545-W587 HydrophobicContact CZ-CZ2 4.26Å; F545-W587 HydrophobicContact CZ-CZ3 4.43Å; F545-W587 AromaticContact CZ-NE1 3.86Å; F545-Y673 HydrophobicContact CD2-CD1 4.37Å; F545-Y673 HydrophobicContact CD2-CG 4.28Å; F545-Y673 HydrophobicContact CG-CG 4.5Å; F545-T675 HydrophobicContact CD1-CG2 4.16Å
546Q97.5Very high96.8Very high107 Ų10734.4 Ų34.450%0.520%0.198SC..SBendtrans-81.8-23.8-179.1-63.777.263.400112L544 S674 T675L544-Q546 PolarHBondContact O-NE2 3.39Å; Q546-S674 PolarHBondContact N-O 3.34Å; Q546-T675 PolarHBondContact OE1-O 2.83Å
547Y98.3Very high96.3Very high75 Ų7536.4 Ų36.429%0.29421%0.214SC..EExtended strand (participates in β ladder)trans-123.6130.3-176.2-55.2-85.6000109.9V194 Y673 S674 A676 P677V194-Y547 HydrophobicContact CG2-CD1 4.31Å; V194-Y547 HydrophobicContact CG2-CE1 4.35Å; Y547-Y673 CarbonylContact O-C 3.55Å; Y547-Y673 WeakPolarHBondContact O-CA 3.08Å; Y547-S674 PolarHBondContact N-O 3.31Å; Y547-S674 PolarHBondContact O-N 2.64Å; Y547-A676 WeakPolarHBondContact CD2-O 3.27Å; Y547-P677 HydrophobicContact CD1-CB 4.2Å; Y547-P677 HydrophobicContact CE1-CB 3.82Å; Y547-P677 HydrophobicContact CE2-CB 4.36Å
548T97.8Very high95.6Very high71 Ų7139.9 Ų39.944%0.43625%0.254SS..EExtended strand (participates in β ladder)trans-149.2144.5170.9-172.90000110.9V672 Y673T548-V672 WeakPolarHBondContact CA-O 3.38Å; T548-V672 WeakPolarHBondContact CB-O 3.38Å; T548-V672 PolarHBondContact OG1-O 2.86Å; T548-Y673 WeakPolarHBondContact OG1-CD1 3.33Å
549T95.7Very high94.9Very high65 Ų6541.8 Ų41.840%0.39927%0.268SS..EExtended strand (participates in β ladder)trans-149.1163.6167-172.50000109.1R671 V672 F678 L680T549-R671 WeakPolarHBondContact O-CA 3.37Å; T549-V672 PolarHBondContact N-O 3.23Å; T549-V672 PolarHBondContact O-N 2.84Å; T549-F678 HydrophobicContact CG2-CE2 3.47Å; T549-F678 VanDerWaalsContact CG2-CE2 3.47Å; T549-F678 HydrophobicContact CG2-CZ 3.72Å; T549-L680 HydrophobicContact CG2-CB 4.03Å; T549-L680 HydrophobicContact CG2-CD2 4.19Å
550C95Very high93.8Very high20 Ų2043 Ų4314%0.13528%0.28CS..EExtended strand (participates in β ladder)trans-137.2159.2173.864.10000112T669 L670 R671C550-T669 HydrophobicContact CB-CG2 3.69Å; C550-L670 CarbonylContact C-O 3.56Å; C550-L670 WeakPolarHBondContact CA-O 3.34Å; C550-L670 WeakPolarHBondContact CB-O 3.5Å; C550-R671 HydrophobicContact CB-CB 3.87Å; C550-R671 HydrophobicContact CB-CG 3.97Å; C550-R671 VanDerWaalsContact SG-CZ 3.52Å; C550-R671 PolarHBondContact SG-NH1 2.86Å; C550-R671 VanDerWaalsContact SG-NH1 3.4Å; C550-R671 PolarHBondContact SG-NH2 2.79Å
551V96.4Very high92.7Very high31 Ų3144.6 Ų44.619%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-123.4135.2167179.30000108.5D553 Y574 T669 L670 L680V551-D553 HydrophobicContact CG1-CB 4.41Å; V551-Y574 HydrophobicContact CB-CE1 4.36Å; V551-Y574 HydrophobicContact CG1-CE1 4.11Å; V551-T669 CarbonylContact O-C 3.52Å; V551-T669 VanDerWaalsContact O-CA 3.31Å; V551-T669 WeakPolarHBondContact O-CA 3.48Å; V551-L670 PolarHBondContact N-O 3.02Å; V551-L670 PolarHBondContact O-N 2.78Å; V551-L680 HydrophobicContact CG2-CD2 4.06Å
552N97Very high91.8Very high3 Ų349.4 Ų49.42%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-101.6118.8172.2-55.5-80.4000109.5F205 E209 V212 L213 T669F205-N552 WeakPolarHBondContact CE1-ND2 3.29Å; E209-N552 HydrophobicContact CB-CB 4.19Å; E209-N552 HydrophobicContact CG-CB 4.24Å; E209-N552 WeakPolarHBondContact CG-O 3.42Å; E209-N552 PolarHBondContact OE1-N 2.78Å; E209-N552 PolarHBondContact OE1-ND2 3.05Å; E209-N552 VanDerWaalsContact OE1-ND2 3.1Å; V212-N552 HydrophobicContact CB-CB 4.48Å; V212-N552 HydrophobicContact CG1-CB 4.05Å; L213-N552 HydrophobicContact CD2-CB 4.43Å; L213-N552 HydrophobicContact CG-CB 4.35Å; N552-T669 PolarHBondContact OD1-OG1 2.81Å
553D96.9Very high91Very high18 Ų1852.2 Ų52.210%0.09632%0.32CS..EExtended strand (participates in β ladder)trans-141.1172.6-170.9-148-28.3000111.5V551 Y574 Y667 Y668 K682V551-D553 HydrophobicContact CG1-CB 4.41Å; D553-Y574 VanDerWaalsContact CB-OH 3.29Å; D553-Y574 WeakPolarHBondContact CB-OH 3.35Å; D553-Y574 PolarHBondContact OD2-OH 3.36Å; D553-Y667 WeakPolarHBondContact O-CA 3.12Å; D553-Y668 HydrophobicContact CB-CE1 4.28Å; D553-Y668 HydrophobicContact CB-CE2 3.91Å; D553-Y668 PolarHBondContact N-O 3.05Å; D553-Y668 PolarHBondContact O-N 3.13Å; D553-K682 IonicContact OD1-NZ 2.79Å; D553-K682 PolarHBondContact OD1-NZ 3.08Å; D553-K682 VanDerWaalsContact OD2-CD 3.28Å; D553-K682 WeakPolarHBondContact OD2-CD 3.15Å; D553-K682 WeakPolarHBondContact OD2-CE 3.35Å; D553-K682 IonicContact OD2-NZ 3.14Å; D553-K682 PolarHBondContact OD2-NZ 2.96Å
554C95.2Very high90.4Very high35 Ų3550.4 Ų50.424%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-128.2152.3171.973.90000111.4V212 I666 Y667V212-C554 HydrophobicContact CG2-CB 4.23Å; C554-I666 CarbonylContact C-O 3.57Å; C554-I666 VanDerWaalsContact CA-O 3.27Å; C554-I666 WeakPolarHBondContact CA-O 3.45Å; C554-Y667 HydrophobicContact CB-CD1 3.55Å; C554-Y667 HydrophobicContact CB-CE1 3.76Å; C554-Y667 HydrophobicContact CB-CG 4.31Å
555W92.6Very high89.7Confident5 Ų550.7 Ų50.72%0.01930%0.301CS..EExtended strand (participates in β ladder)trans-120.3102.6169.1-172.715.9000108.7S559 N571 P572 Q659 K662 T665 I666 Y668W555-S559 PolarHBondContact NE1-O 3.36Å; W555-N571 HydrophobicContact CH2-CB 4.4Å; W555-N571 HydrophobicContact CZ2-CB 4.29Å; W555-P572 HydrophobicContact CB-CG 3.84Å; W555-P572 VanDerWaalsContact CD2-CD 3.46Å; W555-P572 HydrophobicContact CD2-CG 3.76Å; W555-P572 HydrophobicContact CE3-CG 4.18Å; W555-P572 HydrophobicContact CG-CG 3.6Å; W555-Q659 HydrophobicContact CE3-CB 4.3Å; W555-Q659 HydrophobicContact CH2-CB 4.24Å; W555-Q659 HydrophobicContact CZ3-CB 3.54Å; W555-K662 HydrophobicContact CD2-CD 3.62Å; W555-K662 VanDerWaalsContact CE2-CD 3.44Å; W555-K662 VanDerWaalsContact CE2-CE 3.41Å; W555-K662 HydrophobicContact CE3-CD 3.77Å; W555-K662 HydrophobicContact CG-CD 4.38Å; W555-K662 HydrophobicContact CH2-CD 3.62Å; W555-K662 HydrophobicContact CZ2-CD 3.46Å; W555-K662 VanDerWaalsContact CZ2-CD 3.46Å; W555-K662 HydrophobicContact CZ3-CD 3.78Å; W555-T665 VanDerWaalsContact O-CA 3.28Å; W555-T665 WeakPolarHBondContact O-CA 3.41Å; W555-I666 HydrophobicContact CB-CG1 3.83Å; W555-I666 HydrophobicContact CE3-CD1 4.03Å; W555-I666 HydrophobicContact CE3-CG1 4.38Å; W555-I666 PolarHBondContact N-O 2.86Å; W555-I666 PolarHBondContact O-N 2.89Å; W555-Y668 HydrophobicContact CB-CE1 4.11Å
556L91.9Very high88.8Confident98 Ų9855 Ų5551%0.51332%0.318SS..  trans-62.7140.7-174-61177.2000112.3G558 S559 K662 T665L556-G558 VanDerWaalsContact C-N 3.28Å; L556-G558 PolarHBondContact O-N 2.74Å; L556-S559 PolarHBondContact O-N 3.5Å; L556-K662 PolarHBondContact O-NZ 2.82Å; L556-T665 HydrophobicContact CD2-CG2 4.22Å
557A87.2Confident88.3Confident43 Ų4350.8 Ų50.836%0.35530%0.301SS..THydrogen-bonded Turntrans-49.8-44.5-178.300000113.6S559 K662 T665A557-S559 VanDerWaalsContact C-N 3.33Å; A557-S559 PolarHBondContact O-N 3.19Å; A557-K662 PolarHBondContact O-NZ 2.96Å; A557-T665 PolarHBondContact N-OG1 3.23Å
558G83.4Confident88Confident86 Ų8647.3 Ų47.389%0.88729%0.288SS*.THydrogen-bonded Turntrans-81.1-3.5-178.900000115.7L556L556-G558 VanDerWaalsContact C-N 3.28Å; L556-G558 PolarHBondContact O-N 2.74Å
559S81.9Confident87.6Confident40 Ų4044.2 Ų44.228%0.2827%0.269SS..SBendtrans-97.3140.2176.8173.90000110.8W555 L556 A557 K662W555-S559 PolarHBondContact NE1-O 3.36Å; L556-S559 PolarHBondContact O-N 3.5Å; A557-S559 VanDerWaalsContact C-N 3.33Å; A557-S559 PolarHBondContact O-N 3.19Å; S559-K662 PolarHBondContact O-NZ 2.93Å
560G75.9Confident87.3Confident26 Ų2644.3 Ų44.327%0.26827%0.265SS..SBendtrans77.2165.5179.500000115.2E570G560-E570 VanDerWaalsContact CA-CB 3.48Å
561P76.3Confident87.3Confident40 Ų4043.7 Ų43.726%0.2626%0.261SS..  trans-75.9147.6-179.932.6-34.8000110.9K563 D564 A567P561-K563 WeakPolarHBondContact CB-O 3.18Å; P561-K563 PolarHBondContact O-N 2.88Å; P561-D564 HydrophobicContact CG-CB 3.9Å; P561-A567 WeakPolarHBondContact CG-O 3.25Å
562K78.9Confident87.2Confident126 Ų12642.9 Ų42.955%0.54826%0.256SS..SBendtrans-58.9-32.6168.8178.1167-174.1-179.60112.2E661 K662K562-E661 CarbonylContact O-C 3.47Å; K562-E661 WeakPolarHBondContact O-CA 3.32Å; K562-K662 WeakPolarHBondContact CG-O 3.49Å; K562-K662 PolarHBondContact O-N 2.92Å; K562-K662 VanDerWaalsContact O-N 3.08Å
563K82.3Confident87.2Confident93 Ų9343 Ų4340%0.40426%0.256SS..  trans-130.3113174-64.8-173.6176.9-1680108.2P561 S565 E661P561-K563 WeakPolarHBondContact CB-O 3.18Å; P561-K563 PolarHBondContact O-N 2.88Å; K563-S565 PolarHBondContact O-N 2.87Å; K563-E661 WeakPolarHBondContact CE-OE1 3.46Å; K563-E661 IonicContact NZ-OE1 3.34Å; K563-E661 PolarHBondContact NZ-OE1 2.94Å
564D82.7Confident87.3Confident21 Ų2142.1 Ų42.111%0.11225%0.252CS..  trans-84.316.9-178.558.6-3.2000113.5P561 Y566 A567 N571 P623 S658P561-D564 HydrophobicContact CG-CB 3.9Å; D564-Y566 PolarHBondContact O-N 2.98Å; D564-A567 WeakPolarHBondContact CA-O 3.43Å; D564-N571 PolarHBondContact OD2-ND2 2.82Å; D564-P623 WeakPolarHBondContact O-CG 3.5Å; D564-S658 WeakPolarHBondContact OD2-CB 3.45Å; D564-S658 PolarHBondContact OD2-OG 2.82Å
565S81.8Confident87.4Confident42 Ų4242.2 Ų42.229%0.29425%0.25SC..SBendtrans-67.9-12.5-179.157.70000115K563K563-S565 PolarHBondContact O-N 2.87Å
566Y79.8Confident87.7Confident110 Ų11042 Ų4243%0.43125%0.249SC..SBendtrans-125.7-23-178.4-56-78.8000113.3D564D564-Y566 PolarHBondContact O-N 2.98Å
567A87.7Confident87.9Confident19 Ų1941.2 Ų41.216%0.15724%0.243CC..  trans-149.9135.7-178.200000109.2P561 D564 Y621 Y773P561-A567 WeakPolarHBondContact CG-O 3.25Å; D564-A567 WeakPolarHBondContact CA-O 3.43Å; A567-Y621 WeakPolarHBondContact CA-O 3.44Å; A567-Y773 HydrophobicContact CB-CD1 3.51Å; A567-Y773 HydrophobicContact CB-CE1 3.78Å; A567-Y773 HydrophobicContact CB-CG 3.93Å
568S91.2Very high88.4Confident1 Ų139.1 Ų39.11%0.00723%0.226CC..  trans-127.16.9178.9-42.90000112.4E570 N571 Q573 Y621 P623S568-E570 PolarHBondContact O-N 3.2Å; S568-E570 VanDerWaalsContact O-N 3.13Å; S568-N571 WeakPolarHBondContact O-CB 3.47Å; S568-N571 PolarHBondContact O-N 3.08Å; S568-Q573 PolarHBondContact O-NE2 2.84Å; S568-Y621 PolarHBondContact N-O 2.92Å; S568-P623 WeakPolarHBondContact OG-CB 3.39Å
569A89.5Confident89.1Confident6 Ų638 Ų385%0.0520%0.202CC..THydrogen-bonded Turntrans-57.1-30.1-176.200000114.4K619 Y621A569-K619 WeakPolarHBondContact O-CE 3.49Å; A569-K619 PolarHBondContact O-NZ 2.9Å; A569-Y621 HydrophobicContact CB-CD1 3.64Å; A569-Y621 HydrophobicContact CB-CE1 4.39Å; A569-Y621 HydrophobicContact CB-CG 4.49Å
570E90.1Very high89.9Confident67 Ų6736.3 Ų36.331%0.31319%0.19SC..THydrogen-bonded Turntrans-103.52.9-176.4-64.2-64.7142.200112.3G560 S568 K806G560-E570 VanDerWaalsContact CA-CB 3.48Å; S568-E570 PolarHBondContact O-N 3.2Å; S568-E570 VanDerWaalsContact O-N 3.13Å; E570-K806 IonicContact OE1-NZ 2.78Å
571N94.1Very high90.9Very high8 Ų844.5 Ų44.54%0.04322%0.222CC..SBendtrans-72.5150.7168.9-70.241.7000109.2W555 D564 S568 Q573 L656 I657W555-N571 HydrophobicContact CH2-CB 4.4Å; W555-N571 HydrophobicContact CZ2-CB 4.29Å; D564-N571 PolarHBondContact OD2-ND2 2.82Å; S568-N571 WeakPolarHBondContact O-CB 3.47Å; S568-N571 PolarHBondContact O-N 3.08Å; N571-Q573 WeakPolarHBondContact O-CG 3.36Å; N571-Q573 PolarHBondContact O-N 2.75Å; N571-L656 HydrophobicContact CB-CD1 4.25Å; N571-L656 HydrophobicContact CB-CD2 4Å; N571-L656 HydrophobicContact CB-CG 3.99Å; N571-I657 WeakPolarHBondContact CB-O 3.35Å; N571-I657 PolarHBondContact ND2-O 2.99Å
572P95.6Very high91.8Very high13 Ų1345.5 Ų45.58%0.08423%0.233CC..  trans-61.2129.4171-19.430.3000110.8W555 Y574 I657 Y668W555-P572 HydrophobicContact CB-CG 3.84Å; W555-P572 VanDerWaalsContact CD2-CD 3.46Å; W555-P572 HydrophobicContact CD2-CG 3.76Å; W555-P572 HydrophobicContact CE3-CG 4.18Å; W555-P572 HydrophobicContact CG-CG 3.6Å; P572-Y574 HydrophobicContact CB-CE2 4.13Å; P572-I657 HydrophobicContact CB-CB 4.12Å; P572-I657 HydrophobicContact CB-CG1 4.09Å; P572-I657 HydrophobicContact CG-CB 4.25Å; P572-I657 PolarHBondContact O-N 2.99Å; P572-Y668 WeakPolarHBondContact CB-OH 3.41Å; P572-Y668 WeakPolarHBondContact CG-OH 3.5Å
573Q97.2Very high92.7Very high6 Ų645.3 Ų45.33%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-132.1140.3-178.9-66.5-177.952.600110.6S568 N571 V620 I654 L655 L656 I683S568-Q573 PolarHBondContact O-NE2 2.84Å; N571-Q573 WeakPolarHBondContact O-CG 3.36Å; N571-Q573 PolarHBondContact O-N 2.75Å; Q573-V620 PolarHBondContact NE2-O 2.76Å; Q573-I654 HydrophobicContact CB-CG2 4.1Å; Q573-I654 HydrophobicContact CG-CG2 4.35Å; Q573-L655 CarbonylContact C-O 3.59Å; Q573-L655 WeakPolarHBondContact CA-O 3.27Å; Q573-L656 HydrophobicContact CG-CB 4.13Å; Q573-L656 HydrophobicContact CG-CD1 3.74Å; Q573-L656 HydrophobicContact CG-CG 3.88Å; Q573-I683 HydrophobicContact CB-CB 4.31Å; Q573-I683 HydrophobicContact CB-CD1 4.07Å; Q573-I683 HydrophobicContact CB-CG1 4.44Å; Q573-I683 PolarHBondContact O-N 3.15Å
574Y98.1Very high93.4Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-129.5135.2-178.7-58.6-96.8000110.3V551 D553 P572 I654 L655 I657 Y668 L670 S681 K682V551-Y574 HydrophobicContact CB-CE1 4.36Å; V551-Y574 HydrophobicContact CG1-CE1 4.11Å; D553-Y574 VanDerWaalsContact CB-OH 3.29Å; D553-Y574 WeakPolarHBondContact CB-OH 3.35Å; D553-Y574 PolarHBondContact OD2-OH 3.36Å; P572-Y574 HydrophobicContact CB-CE2 4.13Å; Y574-I654 CarbonylContact O-C 3.58Å; Y574-I654 WeakPolarHBondContact O-CA 3.28Å; Y574-L655 PolarHBondContact N-O 3.35Å; Y574-L655 PolarHBondContact O-N 3.5Å; Y574-I657 HydrophobicContact CD2-CG1 4.44Å; Y574-I657 HydrophobicContact CE2-CG1 3.99Å; Y574-Y668 HydrophobicContact CE2-CE2 4.21Å; Y574-Y668 WeakPolarHBondContact OH-CE2 3.36Å; Y574-Y668 PolarHBondContact OH-OH 3.06Å; Y574-L670 HydrophobicContact CD1-CD2 4.23Å; Y574-L670 HydrophobicContact CD2-CD2 3.4Å; Y574-L670 VanDerWaalsContact CD2-CD2 3.4Å; Y574-L670 HydrophobicContact CE2-CD2 3.8Å; Y574-L670 HydrophobicContact CG-CD2 3.65Å; Y574-S681 CarbonylContact C-O 3.31Å; Y574-S681 VanDerWaalsContact CA-O 3.22Å; Y574-S681 WeakPolarHBondContact CA-O 3.21Å; Y574-K682 HydrophobicContact CD1-CB 3.91Å; Y574-K682 HydrophobicContact CD1-CG 4.31Å; Y574-K682 HydrophobicContact CE1-CB 3.77Å; Y574-K682 HydrophobicContact CE1-CD 4.4Å; Y574-K682 HydrophobicContact CE1-CG 3.92Å
575N97.6Very high94.2Very high36 Ų3641.6 Ų41.619%0.19322%0.221CC..EExtended strand (participates in β ladder)trans-83.4124.9171.3-176.282.6000108.9N652 L680 S681 I683N575-N652 PolarHBondContact ND2-ND2 3.4Å; N575-N652 PolarHBondContact OD1-ND2 3.33Å; N575-N652 PolarHBondContact OD1-OD1 2.68Å; N575-N652 VanDerWaalsContact OD1-OD1 3.11Å; N575-L680 WeakPolarHBondContact O-CA 3.43Å; N575-S681 PolarHBondContact N-O 3.24Å; N575-S681 PolarHBondContact O-N 3.4Å; N575-I683 HydrophobicContact CB-CD1 4.36Å; N575-I683 HydrophobicContact CB-CG1 4.05Å
576L98Very high95Very high0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-119.4106.9174.4171.663.7000108.6V578 I586 Y653 L655 V672 F678 T679 L680L576-V578 HydrophobicContact CD1-CG2 3.9Å; L576-V578 HydrophobicContact CD2-CG2 4.27Å; L576-V578 HydrophobicContact CG-CG2 3.85Å; L576-I586 HydrophobicContact CD2-CG2 4Å; L576-Y653 HydrophobicContact CD2-CD2 4.32Å; L576-Y653 HydrophobicContact CG-CD2 4.37Å; L576-Y653 PolarHBondContact N-O 2.69Å; L576-Y653 PolarHBondContact O-N 2.78Å; L576-L655 HydrophobicContact CB-CD1 4.14Å; L576-L655 HydrophobicContact CB-CG 4.13Å; L576-L655 HydrophobicContact CD2-CD1 4.11Å; L576-L655 HydrophobicContact CD2-CD2 4.19Å; L576-L655 HydrophobicContact CD2-CG 4.41Å; L576-V672 HydrophobicContact CD1-CG1 4.13Å; L576-V672 HydrophobicContact CD2-CG1 4.25Å; L576-F678 HydrophobicContact CD1-CB 3.99Å; L576-F678 HydrophobicContact CD1-CD2 3.31Å; L576-F678 HydrophobicContact CD1-CE2 4Å; L576-F678 HydrophobicContact CD1-CG 3.9Å; L576-T679 WeakPolarHBondContact CA-O 3.48Å; L576-L680 HydrophobicContact CB-CD1 4.34Å
577E97.4Very high95.9Very high82 Ų8235.7 Ų35.738%0.38319%0.192SC..EExtended strand (participates in β ladder)trans-104.5121.7175.4-173.9-177.1113.900109.7T650 C651 F678 T679E577-T650 HydrophobicContact CG-CG2 3.94Å; E577-C651 WeakPolarHBondContact CA-O 3.18Å; E577-F678 CarbonylContact O-C 3.59Å; E577-F678 WeakPolarHBondContact O-CA 3.46Å; E577-F678 VanDerWaalsContact O-CB 3.25Å; E577-F678 WeakPolarHBondContact O-CB 3.49Å; E577-T679 PolarHBondContact N-O 3.11Å; E577-T679 PolarHBondContact O-N 2.83Å
578V97.8Very high96.4Very high0 Ų034.8 Ų34.80%018%0.184CC..EExtended strand (participates in β ladder)trans-121.4125.3-176.1-177.70000109L576 I586 Q646 T650 C651 Y653 A676 F678L576-V578 HydrophobicContact CD1-CG2 3.9Å; L576-V578 HydrophobicContact CD2-CG2 4.27Å; L576-V578 HydrophobicContact CG-CG2 3.85Å; V578-I586 HydrophobicContact CB-CD1 4.18Å; V578-I586 HydrophobicContact CG1-CD1 3.99Å; V578-I586 HydrophobicContact CG1-CG1 4.33Å; V578-I586 HydrophobicContact CG2-CD1 3.83Å; V578-I586 HydrophobicContact CG2-CG1 4.34Å; V578-Q646 PolarHBondContact O-NE2 2.68Å; V578-T650 WeakPolarHBondContact O-CA 3.25Å; V578-C651 PolarHBondContact N-O 2.82Å; V578-C651 PolarHBondContact O-N 2.86Å; V578-Y653 HydrophobicContact CG2-CE2 4.4Å; V578-A676 HydrophobicContact CG1-CB 3.92Å; V578-F678 HydrophobicContact CB-CB 4.23Å; V578-F678 HydrophobicContact CG1-CB 4.42Å; V578-F678 HydrophobicContact CG2-CB 3.68Å
579T98.1Very high96.7Very high62 Ų6234.8 Ų34.838%0.3818%0.184SC..EExtended strand (participates in β ladder)trans-110.9106.6177.5-67.50000109.3T650 P677T579-T650 WeakPolarHBondContact OG1-CG2 3.29Å; T579-T650 PolarHBondContact OG1-OG1 2.89Å; T579-P677 PolarHBondContact N-O 3.08Å; T579-P677 VanDerWaalsContact N-O 3.07Å; T579-P677 WeakPolarHBondContact O-CD 3.4Å; T579-P677 WeakPolarHBondContact O-CG 3.43Å
580A97.5Very high97.1Very high5 Ų534.5 Ų34.54%0.04118%0.182CC..EExtended strand (participates in β ladder)trans-113.7133.3-173.800000111.7A582 G649 A676A580-A582 WeakPolarHBondContact CB-O 2.98Å; A580-G649 PolarHBondContact N-O 2.78Å; A580-G649 PolarHBondContact O-N 2.99Å; A580-A676 HydrophobicContact CB-CB 3.67Å
581Q96.9Very high97.5Very high198 Ų19831.6 Ų31.693%0.92517%0.169SC*.SBendtrans-84.4-22.4175-66.5179.4-12.400112.8
582A96.4Very high97.5Very high61 Ų6131.9 Ų31.950%0.50417%0.17SC..SBendtrans-138.4178.2178.400000108.5A580 S584A580-A582 WeakPolarHBondContact CB-O 2.98Å; A582-S584 PolarHBondContact O-N 2.93Å
583E97.6Very high97.5Very high122 Ų12231.8 Ų31.857%0.5717%0.168SC*.  trans-54.8128.1171.4-170.9-17475.700110.2L645 Q646E583-L645 VanDerWaalsContact CD-CD2 3.44Å; E583-L645 HydrophobicContact CG-CD1 3.66Å; E583-L645 HydrophobicContact CG-CD2 4.1Å; E583-L645 HydrophobicContact CG-CG 3.65Å; E583-L645 WeakPolarHBondContact OE2-CD2 3.32Å; E583-Q646 CarbonylContact C-O 3.52Å; E583-Q646 VanDerWaalsContact CA-O 3.27Å; E583-Q646 WeakPolarHBondContact CA-O 3.21Å
584S97Very high97.4Very high3 Ų332.2 Ų32.22%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-126.4135.9-172.1-176.80000111.8A582 Q646 T675 A676A582-S584 PolarHBondContact O-N 2.93Å; S584-Q646 PolarHBondContact N-O 2.87Å; S584-Q646 PolarHBondContact O-N 2.81Å; S584-T675 WeakPolarHBondContact CA-OG1 3.36Å; S584-T675 PolarHBondContact OG-OG1 3.29Å; S584-A676 WeakPolarHBondContact OG-CB 3.39Å; S584-A676 PolarHBondContact OG-N 2.78Å; S584-A676 VanDerWaalsContact OG-N 3.17Å
585S98.2Very high97.1Very high32 Ų3235.1 Ų35.122%0.22419%0.188CC..EExtended strand (participates in β ladder)trans-89.9126.1174.1179.90000110.1W587 S674 T675S585-W587 VanDerWaalsContact OG-CD1 3.3Å; S585-W587 PolarHBondContact OG-NE1 2.91Å; S585-S674 WeakPolarHBondContact O-CA 3.01Å; S585-T675 PolarHBondContact N-OG1 2.96Å; S585-T675 PolarHBondContact O-N 3.39Å; S585-T675 PolarHBondContact O-OG1 3.1Å
586I98.6Very high96.8Very high0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-123.2121.3179.8-55.9154.2000109L576 V578 M644 Q646 Y653 V672 Y673L576-I586 HydrophobicContact CD2-CG2 4Å; V578-I586 HydrophobicContact CB-CD1 4.18Å; V578-I586 HydrophobicContact CG1-CD1 3.99Å; V578-I586 HydrophobicContact CG1-CG1 4.33Å; V578-I586 HydrophobicContact CG2-CD1 3.83Å; V578-I586 HydrophobicContact CG2-CG1 4.34Å; I586-M644 HydrophobicContact CB-CB 4.5Å; I586-M644 HydrophobicContact CB-CE 4.19Å; I586-M644 HydrophobicContact CG2-CE 3.8Å; I586-M644 PolarHBondContact N-O 2.94Å; I586-M644 PolarHBondContact O-N 2.8Å; I586-Q646 HydrophobicContact CD1-CB 3.68Å; I586-Y653 HydrophobicContact CD1-CE2 4.01Å; I586-V672 HydrophobicContact CG2-CG1 4.11Å; I586-Y673 CarbonylContact C-O 3.58Å; I586-Y673 WeakPolarHBondContact CA-O 3.3Å
587W98.7Very high96.4Very high28 Ų2839.8 Ų39.811%0.10621%0.21CC..EExtended strand (participates in β ladder)trans-119.6130.2-179.2-70.924.2000109.7I406 W540 F545 S585 L641 V642 K643 V672 Y673I406-W587 HydrophobicContact CD1-CE3 4.26Å; I406-W587 HydrophobicContact CG2-CE3 4.04Å; I406-W587 HydrophobicContact CG2-CZ3 4.34Å; W540-W587 HydrophobicContact CB-CH2 4.29Å; W540-W587 HydrophobicContact CB-CZ3 3.91Å; W540-W587 AromaticContact CD1-CH2 3.59Å; W540-W587 AromaticContact CD1-CZ3 3.39Å; W540-W587 AromaticContact CD2-CH2 3.83Å; W540-W587 HydrophobicContact CD2-CH2 3.83Å; W540-W587 HydrophobicContact CD2-CZ3 4.27Å; W540-W587 AromaticContact CE2-CH2 3.87Å; W540-W587 AromaticContact CG-CH2 3.65Å; W540-W587 HydrophobicContact CG-CH2 3.65Å; W540-W587 AromaticContact CG-CZ3 3.59Å; W540-W587 HydrophobicContact CG-CZ3 3.59Å; W540-W587 AromaticContact NE1-CH2 3.66Å; W540-W587 AromaticContact NE1-CZ3 3.9Å; F545-W587 HydrophobicContact CE1-CB 4.45Å; F545-W587 HydrophobicContact CE1-CD2 4.35Å; F545-W587 HydrophobicContact CE1-CG 4.04Å; F545-W587 HydrophobicContact CE2-CD2 4.09Å; F545-W587 HydrophobicContact CE2-CE3 4.03Å; F545-W587 HydrophobicContact CE2-CG 4.44Å; F545-W587 HydrophobicContact CE2-CZ3 4.43Å; F545-W587 HydrophobicContact CZ-CB 4.17Å; F545-W587 AromaticContact CZ-CD1 3.82Å; F545-W587 AromaticContact CZ-CD2 3.44Å; F545-W587 HydrophobicContact CZ-CD2 3.44Å; F545-W587 VanDerWaalsContact CZ-CD2 3.44Å; F545-W587 AromaticContact CZ-CE2 3.66Å; F545-W587 AromaticContact CZ-CE3 3.86Å; F545-W587 HydrophobicContact CZ-CE3 3.86Å; F545-W587 AromaticContact CZ-CG 3.58Å; F545-W587 HydrophobicContact CZ-CG 3.58Å; F545-W587 HydrophobicContact CZ-CZ2 4.26Å; F545-W587 HydrophobicContact CZ-CZ3 4.43Å; F545-W587 AromaticContact CZ-NE1 3.86Å; S585-W587 VanDerWaalsContact OG-CD1 3.3Å; S585-W587 PolarHBondContact OG-NE1 2.91Å; W587-L641 HydrophobicContact CB-CD1 4.22Å; W587-L641 HydrophobicContact CE3-CD1 4.18Å; W587-L641 HydrophobicContact CE3-CD2 3.96Å; W587-L641 HydrophobicContact CZ3-CD2 4.14Å; W587-V642 CarbonylContact C-O 3.56Å; W587-V642 WeakPolarHBondContact CA-O 3.34Å; W587-K643 HydrophobicContact CD2-CD 3.82Å; W587-K643 HydrophobicContact CD2-CG 3.73Å; W587-K643 VanDerWaalsContact CE2-CD 3.42Å; W587-K643 HydrophobicContact CE3-CD 4.24Å; W587-K643 HydrophobicContact CE3-CG 4.37Å; W587-K643 HydrophobicContact CG-CB 4.39Å; W587-K643 HydrophobicContact CG-CD 4.43Å; W587-K643 HydrophobicContact CG-CG 3.84Å; W587-K643 HydrophobicContact CH2-CD 3.97Å; W587-K643 HydrophobicContact CZ2-CD 3.52Å; W587-K643 HydrophobicContact CZ2-CG 4.31Å; W587-K643 HydrophobicContact CZ3-CD 4.31Å; W587-V672 CarbonylContact O-C 3.53Å; W587-V672 WeakPolarHBondContact O-CA 3.13Å; W587-Y673 PolarHBondContact N-O 3.33Å; W587-Y673 PolarHBondContact O-N 3.34Å
588V98.7Very high95.9Very high0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-116.9116.2-178.4-177.40000108.4V609 L641 V642 M644 L655 L670 V672V588-V609 HydrophobicContact CG1-CG1 4.28Å; V588-L641 CarbonylContact O-C 3.12Å; V588-L641 WeakPolarHBondContact O-CA 3.44Å; V588-V642 HydrophobicContact CB-CB 4.4Å; V588-V642 PolarHBondContact N-O 3.02Å; V588-V642 PolarHBondContact O-N 3.17Å; V588-M644 HydrophobicContact CG2-CE 4.1Å; V588-L655 HydrophobicContact CG1-CD1 3.93Å; V588-L655 HydrophobicContact CG2-CD1 4.12Å; V588-L655 HydrophobicContact CG2-CD2 4.06Å; V588-L670 HydrophobicContact CG1-CD1 3.51Å; V588-L670 HydrophobicContact CG1-CG 4.46Å; V588-V672 HydrophobicContact CG1-CG2 4.48Å; V588-V672 HydrophobicContact CG2-CG2 4.25Å
589L98.4Very high95.2Very high1 Ų140 Ų401%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-108.5111178.5179.967.9000109.5P407 H639 C640 L641 R671 Y673P407-L589 HydrophobicContact CG-CD1 3.98Å; P407-L589 HydrophobicContact CG-CD2 4.41Å; L589-H639 HydrophobicContact CD1-CB 4.07Å; L589-C640 WeakPolarHBondContact CA-O 3.4Å; L589-L641 HydrophobicContact CB-CD1 4.17Å; L589-L641 HydrophobicContact CD1-CB 4.28Å; L589-L641 HydrophobicContact CD1-CD1 4.32Å; L589-R671 PolarHBondContact N-O 3.47Å; L589-R671 PolarHBondContact O-N 3.49Å; L589-Y673 HydrophobicContact CB-CE2 4.16Å; L589-Y673 HydrophobicContact CD2-CE2 4.37Å
590L98.3Very high94.3Very high1 Ų138.9 Ų38.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-90123.2166.8175.565.2000109.1I607 V609 H639 C640 I657 Y668 L670L590-I607 HydrophobicContact CD2-CB 4.03Å; L590-I607 HydrophobicContact CD2-CD1 3.77Å; L590-I607 HydrophobicContact CD2-CG1 4.4Å; L590-I607 HydrophobicContact CG-CD1 3.88Å; L590-V609 HydrophobicContact CB-CG2 3.48Å; L590-V609 VanDerWaalsContact CB-CG2 3.48Å; L590-V609 HydrophobicContact CD2-CG2 3.8Å; L590-V609 HydrophobicContact CG-CG2 4.24Å; L590-H639 WeakPolarHBondContact O-CA 3.42Å; L590-C640 HydrophobicContact CB-CB 4.31Å; L590-C640 PolarHBondContact N-O 2.77Å; L590-C640 PolarHBondContact O-N 3.05Å; L590-I657 HydrophobicContact CD1-CD1 4.02Å; L590-I657 HydrophobicContact CD1-CG2 4.41Å; L590-I657 HydrophobicContact CD2-CD1 4.21Å; L590-I657 HydrophobicContact CD2-CG2 3.9Å; L590-Y668 HydrophobicContact CD1-CD2 3.52Å; L590-Y668 HydrophobicContact CD1-CE2 4.34Å; L590-Y668 HydrophobicContact CD1-CG 3.86Å; L590-L670 HydrophobicContact CB-CD1 4.37Å; L590-L670 HydrophobicContact CD1-CD1 4.49Å
591T97.4Very high93.2Very high6 Ų641.8 Ų41.84%0.03723%0.233CC..EExtended strand (participates in β ladder)trans-116.2110.4176.1-63.80000110.1P638 H639 Y668 T669T591-P638 CarbonylContact C-O 3.58Å; T591-P638 WeakPolarHBondContact CA-O 3.41Å; T591-H639 VanDerWaalsContact CG2-CE1 3.42Å; T591-H639 WeakPolarHBondContact CG2-CE1 3.35Å; T591-H639 WeakPolarHBondContact CG2-ND1 3.34Å; T591-H639 PolarHBondContact OG1-ND1 3.26Å; T591-Y668 CarbonylContact O-C 3.58Å; T591-Y668 WeakPolarHBondContact O-CA 3.18Å; T591-Y668 VanDerWaalsContact O-CB 3.3Å; T591-Y668 WeakPolarHBondContact O-CB 3.49Å; T591-T669 PolarHBondContact N-O 2.82Å; T591-T669 PolarHBondContact O-N 2.88Å
592R95Very high92.1Very high14 Ų1437.7 Ų37.75%0.05321%0.214CC..EExtended strand (participates in β ladder)trans-71.4135.3169.1-176170.667.785.5-3.1109.5I594 D599 I607 P638R592-I594 HydrophobicContact CG-CD1 4.46Å; R592-I594 VanDerWaalsContact NH2-CD1 3.3Å; R592-D599 IonicContact CZ-OD2 2.9Å; R592-D599 IonicContact NH1-OD2 3.76Å; R592-D599 PolarHBondContact NH1-OD2 2.81Å; R592-D599 IonicContact NH2-OD2 2.74Å; R592-I607 HydrophobicContact CB-CD1 3.95Å; R592-P638 PolarHBondContact N-O 2.93Å
593H95.7Very high90.8Very high11 Ų1137.6 Ų37.65%0.05121%0.205CC..  trans-79.6131.5177.2-65-169.5000109.9T216 N341 Y667 T669T216-H593 WeakPolarHBondContact CB-ND1 3.28Å; T216-H593 HydrophobicContact CG2-CB 3.75Å; T216-H593 WeakPolarHBondContact CG2-ND1 3.27Å; T216-H593 PolarHBondContact OG1-ND1 3.32Å; N341-H593 HydrophobicContact CB-CB 3.97Å; N341-H593 PolarHBondContact O-CE1 3.01Å; N341-H593 PolarHBondContact O-NE2 3.33Å; N341-H593 VanDerWaalsContact OD1-CA 3.25Å; N341-H593 WeakPolarHBondContact OD1-CA 3.31Å; H593-Y667 PolarHBondContact N-O 3.45Å; H593-T669 PolarHBondContact NE2-N 2.82Å; H593-T669 PolarHBondContact NE2-OG1 2.98Å
594I93.3Very high89.7Confident14 Ų1438.3 Ų38.37%0.07221%0.206CC..  trans-110.2128.5177.8-49.7-59.1000108.4N341 R592 D596 D599 F600 P638N341-I594 PolarHBondContact ND2-O 3.01Å; N341-I594 PolarHBondContact OD1-N 3.3Å; N341-I594 PolarHBondContact OD1-O 3.49Å; R592-I594 HydrophobicContact CG-CD1 4.46Å; R592-I594 VanDerWaalsContact NH2-CD1 3.3Å; I594-D596 WeakPolarHBondContact CG2-O 3.5Å; I594-D599 HydrophobicContact CD1-CB 4.42Å; I594-D599 HydrophobicContact CG2-CB 3.98Å; I594-F600 HydrophobicContact CG2-CD2 4.32Å; I594-F600 HydrophobicContact CG2-CE2 3.76Å; I594-F600 HydrophobicContact CG2-CZ 4.44Å; I594-P638 HydrophobicContact CD1-CB 4.24Å; I594-P638 HydrophobicContact CG1-CB 4.02Å
595V93.6Very high89Confident61 Ų6139.1 Ų39.137%0.3721%0.209SC..  trans-122.2-10.2179.2-65.20000112.9T216 V218 I219 N220T216-V595 HydrophobicContact CG2-CG1 4.31Å; V218-V595 WeakPolarHBondContact O-CB 3.5Å; V218-V595 WeakPolarHBondContact O-CG1 3.31Å; I219-V595 CarbonylContact C-O 3.45Å; N220-V595 PolarHBondContact N-O 3.29Å
596D90.8Very high88.6Confident82 Ų8240.7 Ų40.744%0.43921%0.213SC..  trans-131.2130.3178.6-167-33000109.8I594 A598 D599I594-D596 WeakPolarHBondContact CG2-O 3.5Å; D596-A598 PolarHBondContact O-N 2.96Å; D596-A598 VanDerWaalsContact OD1-CB 3.31Å; D596-A598 WeakPolarHBondContact OD1-CB 3.44Å; D596-A598 PolarHBondContact OD1-N 3.44Å; D596-D599 WeakPolarHBondContact O-CB 3.16Å; D596-D599 PolarHBondContact O-N 3.16Å
597K88.8Confident88.3Confident53 Ų5340.8 Ų40.823%0.2321%0.213CC..THydrogen-bonded Turntrans-62.7-23.517771.1-176.8-169.9179.90113N220 M385 D389 D599 F600N220-K597 WeakPolarHBondContact OD1-CB 3.29Å; N220-K597 PolarHBondContact OD1-N 2.72Å; M385-K597 WeakPolarHBondContact O-CD 3.44Å; D389-K597 IonicContact OD1-NZ 2.61Å; D389-K597 PolarHBondContact OD1-NZ 3.19Å; D389-K597 IonicContact OD2-NZ 3.3Å; D389-K597 PolarHBondContact OD2-NZ 3.16Å; K597-D599 PolarHBondContact O-N 2.83Å; K597-F600 PolarHBondContact O-N 2.9Å; K597-F600 VanDerWaalsContact O-N 3.15Å
598A86.8Confident88.2Confident36 Ų3639.4 Ų39.430%0.29821%0.208SC..Hα-helixtrans-60.3-26.3175.900000112.5D596 F600 A601 E602D596-A598 PolarHBondContact O-N 2.96Å; D596-A598 VanDerWaalsContact OD1-CB 3.31Å; D596-A598 WeakPolarHBondContact OD1-CB 3.44Å; D596-A598 PolarHBondContact OD1-N 3.44Å; A598-F600 PolarHBondContact O-N 2.85Å; A598-A601 PolarHBondContact O-N 3.17Å; A598-E602 PolarHBondContact O-N 3.46Å
599D83.7Confident88.1Confident51 Ų5139.4 Ų39.427%0.27321%0.208SC..Hα-helixtrans-57.6-35.3175.4-85.212.2000112.4R592 I594 D596 K597 A601 N603R592-D599 IonicContact CZ-OD2 2.9Å; R592-D599 IonicContact NH1-OD2 3.76Å; R592-D599 PolarHBondContact NH1-OD2 2.81Å; R592-D599 IonicContact NH2-OD2 2.74Å; I594-D599 HydrophobicContact CD1-CB 4.42Å; I594-D599 HydrophobicContact CG2-CB 3.98Å; D596-D599 WeakPolarHBondContact O-CB 3.16Å; D596-D599 PolarHBondContact O-N 3.16Å; K597-D599 PolarHBondContact O-N 2.83Å; D599-A601 VanDerWaalsContact C-N 3.32Å; D599-N603 PolarHBondContact O-N 3.16Å; D599-N603 VanDerWaalsContact O-N 3.11Å
600F78.8Confident88.1Confident38 Ų3839.5 Ų39.517%0.16721%0.208CC..Hα-helixtrans-70.9-28.9177-69.3-86.5000112.5M385 F390 I397 I594 K597 A598 N603M385-F600 HydrophobicContact CE-CZ 4.32Å; M385-F600 HydrophobicContact SD-CE2 3.98Å; M385-F600 HydrophobicContact SD-CZ 4.2Å; F390-F600 HydrophobicContact CE2-CB 4.29Å; F390-F600 AromaticContact CE2-CD2 3.86Å; F390-F600 HydrophobicContact CE2-CD2 3.86Å; F390-F600 HydrophobicContact CE2-CE2 4.3Å; F390-F600 HydrophobicContact CE2-CG 4Å; F390-F600 HydrophobicContact CZ-CD1 4.31Å; F390-F600 HydrophobicContact CZ-CD2 4.32Å; F390-F600 HydrophobicContact CZ-CG 4.19Å; I397-F600 HydrophobicContact CD1-CE1 4.25Å; I594-F600 HydrophobicContact CG2-CD2 4.32Å; I594-F600 HydrophobicContact CG2-CE2 3.76Å; I594-F600 HydrophobicContact CG2-CZ 4.44Å; K597-F600 PolarHBondContact O-N 2.9Å; K597-F600 VanDerWaalsContact O-N 3.15Å; A598-F600 PolarHBondContact O-N 2.85Å; F600-N603 PolarHBondContact O-ND2 3.19Å
601A74.5Confident88.1Confident66 Ų6639.4 Ų39.455%0.54521%0.208SC..Hα-helixtrans-81.9-47.8179.600000111.6A598 D599 N603A598-A601 PolarHBondContact O-N 3.17Å; D599-A601 VanDerWaalsContact C-N 3.32Å; A601-N603 PolarHBondContact O-ND2 3.37Å
602E73.1Confident88.1Confident111 Ų11139.2 Ų39.252%0.51921%0.206SC..Hα-helixtrans-87.7-26.2-170.2-60-171.9162.600113.7A598 K604A598-E602 PolarHBondContact O-N 3.46Å; E602-K604 VanDerWaalsContact C-N 3.29Å; E602-K604 HydrophobicContact CB-CD 4.26Å; E602-K604 HydrophobicContact CB-CG 4.1Å; E602-K604 PolarHBondContact O-N 2.66Å; E602-K604 IonicContact OE1-NZ 3.81Å; E602-K604 WeakPolarHBondContact OE2-CD 3.41Å; E602-K604 WeakPolarHBondContact OE2-CE 3.39Å; E602-K604 IonicContact OE2-NZ 3.38Å; E602-K604 PolarHBondContact OE2-NZ 3.41Å
603N69.7Low88.1Confident60 Ų6041.3 Ų41.332%0.32122%0.216SC..  trans53.837.1172.6-69.8-64.8000115.2D599 F600 A601 F606 N636D599-N603 PolarHBondContact O-N 3.16Å; D599-N603 VanDerWaalsContact O-N 3.11Å; F600-N603 PolarHBondContact O-ND2 3.19Å; A601-N603 PolarHBondContact O-ND2 3.37Å; N603-F606 WeakPolarHBondContact O-CE2 3.33Å; N603-N636 HydrophobicContact CB-CB 4.27Å; N603-N636 WeakPolarHBondContact CB-ND2 3.47Å
604K74.7Confident87.7Confident137 Ų13745.9 Ų45.960%0.59624%0.241SC*.  trans-74.2-27.1-171.5-70.9174.1173.5164.90114.7E602E602-K604 VanDerWaalsContact C-N 3.29Å; E602-K604 HydrophobicContact CB-CD 4.26Å; E602-K604 HydrophobicContact CB-CG 4.1Å; E602-K604 PolarHBondContact O-N 2.66Å; E602-K604 IonicContact OE1-NZ 3.81Å; E602-K604 WeakPolarHBondContact OE2-CD 3.41Å; E602-K604 WeakPolarHBondContact OE2-CE 3.39Å; E602-K604 IonicContact OE2-NZ 3.38Å; E602-K604 PolarHBondContact OE2-NZ 3.41Å
605E83Confident87.6Confident19 Ų1946.3 Ų46.39%0.08924%0.244CC..  trans-104.9121.7-168-61.5-57.1153.600112.1N636 Q659 I664E605-N636 VanDerWaalsContact O-CA 3.31Å; E605-N636 WeakPolarHBondContact O-CA 3.41Å; E605-Q659 PolarHBondContact OE2-NE2 2.83Å; E605-I664 HydrophobicContact CG-CD1 3.94Å; E605-I664 VanDerWaalsContact OE1-CD1 3.29Å; E605-I664 WeakPolarHBondContact OE1-CD1 3.41Å
606F89.8Confident87.3Confident66 Ų6653.8 Ų53.829%0.28927%0.271SS..  trans-114.8120.9177.8-57.1-108.7000111.1N603 R634 I635 N636 Q659 Y660N603-F606 WeakPolarHBondContact O-CE2 3.33Å; F606-R634 HydrophobicContact CB-CB 3.99Å; F606-I635 CarbonylContact C-O 3.52Å; F606-I635 VanDerWaalsContact CA-O 3.26Å; F606-I635 WeakPolarHBondContact CA-O 3.44Å; F606-N636 HydrophobicContact CD1-CB 3.88Å; F606-N636 HydrophobicContact CE1-CB 3.73Å; F606-N636 HydrophobicContact CG-CB 4.36Å; F606-N636 HydrophobicContact CZ-CB 4.08Å; F606-Q659 VanDerWaalsContact O-CA 3.32Å; F606-Q659 WeakPolarHBondContact O-CA 3.46Å; F606-Y660 HydrophobicContact CD2-CD1 4.38Å; F606-Y660 PolarHBondContact O-N 2.89Å
607I92.6Very high87Confident1 Ų151.9 Ų51.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-108.4153.6-179.254156.7000111.5L590 R592 R634 I635 C640 I666L590-I607 HydrophobicContact CD2-CB 4.03Å; L590-I607 HydrophobicContact CD2-CD1 3.77Å; L590-I607 HydrophobicContact CD2-CG1 4.4Å; L590-I607 HydrophobicContact CG-CD1 3.88Å; R592-I607 HydrophobicContact CB-CD1 3.95Å; I607-R634 WeakPolarHBondContact O-CA 3.18Å; I607-I635 PolarHBondContact N-O 3.38Å; I607-I635 PolarHBondContact O-N 3.27Å; I607-C640 HydrophobicContact CD1-CB 4.12Å; I607-C640 HydrophobicContact CG1-CB 4.49Å; I607-I666 HydrophobicContact CG2-CD1 4.24Å
608A95.1Very high86.9Confident0 Ų052.8 Ų52.80%027%0.267CS..EExtended strand (participates in β ladder)trans-147.8155.8173.100000111.3S632 R634 S658A608-S632 WeakPolarHBondContact CA-OG 3.45Å; A608-S632 WeakPolarHBondContact CB-OG 3.42Å; A608-R634 HydrophobicContact CB-CB 4.49Å; A608-R634 HydrophobicContact CB-CG 3.71Å; A608-S658 PolarHBondContact N-O 2.68Å; A608-S658 PolarHBondContact O-N 3.1Å
609V97.5Very high87.2Confident0 Ų051.5 Ų51.50%025%0.254CS..EExtended strand (participates in β ladder)trans-108.2127.6162.4-179.30000108.4V588 L590 V611 S632 V642 L656 I657V588-V609 HydrophobicContact CG1-CG1 4.28Å; L590-V609 HydrophobicContact CB-CG2 3.48Å; L590-V609 VanDerWaalsContact CB-CG2 3.48Å; L590-V609 HydrophobicContact CD2-CG2 3.8Å; L590-V609 HydrophobicContact CG-CG2 4.24Å; V609-V611 HydrophobicContact CG1-CG2 4.08Å; V609-S632 PolarHBondContact N-OG 2.95Å; V609-S632 WeakPolarHBondContact O-CB 3.45Å; V609-S632 PolarHBondContact O-N 3.2Å; V609-S632 VanDerWaalsContact O-N 3.16Å; V609-S632 PolarHBondContact O-OG 2.93Å; V609-V642 HydrophobicContact CB-CG2 3.89Å; V609-V642 HydrophobicContact CG1-CG2 4.33Å; V609-L656 WeakPolarHBondContact CA-O 3.4Å; V609-I657 HydrophobicContact CG2-CD1 4.13Å
610V97.7Very high87.7Confident2 Ų249.1 Ų49.11%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-108.7127.2170.5-165.20000107.5Y612 P628 C630 D631 L656V610-Y612 HydrophobicContact CB-CE2 3.9Å; V610-Y612 HydrophobicContact CG1-CD2 4.34Å; V610-Y612 HydrophobicContact CG1-CE1 4.49Å; V610-Y612 HydrophobicContact CG1-CE2 3.52Å; V610-P628 HydrophobicContact CG1-CB 3.71Å; V610-P628 HydrophobicContact CG1-CG 3.86Å; V610-C630 CarbonylContact C-O 3.44Å; V610-D631 HydrophobicContact CG1-CB 4.24Å; V610-D631 WeakPolarHBondContact CG2-OD1 3.35Å; V610-L656 HydrophobicContact CB-CB 4.35Å; V610-L656 HydrophobicContact CB-CD2 4.35Å; V610-L656 HydrophobicContact CG2-CD2 4.2Å; V610-L656 PolarHBondContact N-O 2.85Å; V610-L656 PolarHBondContact O-N 2.79Å
611V98.4Very high88.4Confident0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-109131.1-179.7-172.20000109.5V609 P628 F629 C630 V642 M644 Y653 I654 L655V609-V611 HydrophobicContact CG1-CG2 4.08Å; V611-P628 CarbonylContact O-C 3.56Å; V611-F629 HydrophobicContact CG1-CD1 4.42Å; V611-F629 WeakPolarHBondContact O-CA 3.27Å; V611-F629 WeakPolarHBondContact O-CB 3.42Å; V611-F629 PolarHBondContact O-N 2.8Å; V611-C630 HydrophobicContact CB-CB 4.19Å; V611-C630 HydrophobicContact CG2-CB 4.45Å; V611-C630 PolarHBondContact N-O 2.97Å; V611-C630 PolarHBondContact O-N 2.73Å; V611-V642 HydrophobicContact CG2-CG1 3.98Å; V611-M644 HydrophobicContact CB-SD 4.05Å; V611-M644 HydrophobicContact CG1-CE 4.31Å; V611-M644 HydrophobicContact CG1-SD 3.6Å; V611-M644 VanDerWaalsContact CG1-SD 3.6Å; V611-M644 HydrophobicContact CG2-SD 3.96Å; V611-Y653 HydrophobicContact CG1-CD1 3.91Å; V611-Y653 HydrophobicContact CG1-CG 4.27Å; V611-I654 WeakPolarHBondContact CA-O 3.32Å; V611-L655 HydrophobicContact CB-CD2 4.44Å; V611-L655 HydrophobicContact CG1-CD2 3.98Å; V611-L655 HydrophobicContact CG2-CD2 3.81Å
612Y98Very high89.2Confident2 Ų245.9 Ų45.91%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-115.9147.5172.3-56.9-99.2000108.9V610 V615 V620 P623 P626 P628 Y653 I654 L656V610-Y612 HydrophobicContact CB-CE2 3.9Å; V610-Y612 HydrophobicContact CG1-CD2 4.34Å; V610-Y612 HydrophobicContact CG1-CE1 4.49Å; V610-Y612 HydrophobicContact CG1-CE2 3.52Å; Y612-V615 VanDerWaalsContact CB-CG2 3.46Å; Y612-V615 HydrophobicContact CG-CG2 4.47Å; Y612-V620 HydrophobicContact CD1-CG1 4.34Å; Y612-V620 HydrophobicContact CD1-CG2 4.07Å; Y612-V620 HydrophobicContact CD2-CB 4.44Å; Y612-V620 HydrophobicContact CD2-CG1 4.39Å; Y612-V620 HydrophobicContact CD2-CG2 3.62Å; Y612-V620 HydrophobicContact CE1-CG1 3.86Å; Y612-V620 HydrophobicContact CE1-CG2 4.39Å; Y612-V620 HydrophobicContact CE2-CB 4.32Å; Y612-V620 HydrophobicContact CE2-CG1 3.93Å; Y612-V620 HydrophobicContact CE2-CG2 3.99Å; Y612-V620 HydrophobicContact CG-CG2 3.66Å; Y612-P623 WeakPolarHBondContact OH-CA 3.17Å; Y612-P623 PolarHBondContact OH-O 3.04Å; Y612-P626 HydrophobicContact CD1-CG 4.15Å; Y612-P626 WeakPolarHBondContact CD1-O 3.37Å; Y612-P626 WeakPolarHBondContact CE1-O 3.45Å; Y612-P628 HydrophobicContact CD1-CG 4.46Å; Y612-P628 HydrophobicContact CE1-CB 4.19Å; Y612-P628 HydrophobicContact CE1-CG 3.72Å; Y612-Y653 CarbonylContact O-C 3.55Å; Y612-Y653 WeakPolarHBondContact O-CA 3.36Å; Y612-I654 PolarHBondContact N-O 2.89Å; Y612-I654 PolarHBondContact O-N 2.69Å; Y612-L656 HydrophobicContact CD2-CB 4.46Å; Y612-L656 HydrophobicContact CE2-CB 3.96Å; Y612-L656 HydrophobicContact CE2-CD1 4.2Å
613K95.6Very high90.1Very high57 Ų5741.2 Ų41.225%0.24819%0.194CC..EExtended strand (participates in β ladder)trans-121.6144.9178.5-170.1-174.2174.2176.10108.5V615 F629 Y653K613-V615 VanDerWaalsContact C-N 3.29Å; K613-V615 PolarHBondContact O-N 3.3Å; K613-F629 HydrophobicContact CB-CB 3.92Å; K613-F629 HydrophobicContact CB-CD2 4.14Å; K613-F629 HydrophobicContact CB-CG 4.05Å; K613-F629 HydrophobicContact CD-CD2 4.13Å; K613-F629 HydrophobicContact CD-CE2 4.2Å; K613-Y653 HydrophobicContact CB-CD1 3.98Å; K613-Y653 HydrophobicContact CB-CE1 4.08Å; K613-Y653 HydrophobicContact CD-CE1 3.91Å; K613-Y653 HydrophobicContact CG-CD1 3.97Å; K613-Y653 HydrophobicContact CG-CE1 3.72Å
614D87.3Confident91Very high108 Ų10845.6 Ų45.658%0.57821%0.207SC*.SBendtrans56.839.9174.2-53.1-39.9000113.6K616 N652D614-K616 PolarHBondContact O-N 2.62Å; D614-N652 PolarHBondContact N-O 2.86Å
615V90.9Very high91.7Very high23 Ų2342.6 Ų42.614%0.13920%0.197CC..  trans-69.5120.4178.5-173.20000109.6Y612 K613 S617 V620 P626 I654Y612-V615 VanDerWaalsContact CB-CG2 3.46Å; Y612-V615 HydrophobicContact CG-CG2 4.47Å; K613-V615 VanDerWaalsContact C-N 3.29Å; K613-V615 PolarHBondContact O-N 3.3Å; V615-S617 WeakPolarHBondContact CG1-OG 3.41Å; V615-V620 HydrophobicContact CG1-CG2 4.23Å; V615-V620 HydrophobicContact CG2-CG2 4.1Å; V615-P626 HydrophobicContact CG2-CG 4.08Å; V615-I654 HydrophobicContact CB-CD1 3.73Å; V615-I654 HydrophobicContact CB-CG1 4.28Å; V615-I654 HydrophobicContact CG1-CD1 3.84Å; V615-I654 HydrophobicContact CG2-CB 4.34Å; V615-I654 HydrophobicContact CG2-CD1 3.83Å; V615-I654 HydrophobicContact CG2-CG1 4.02Å
616K85.9Confident92.1Very high217 Ų21743.6 Ų43.694%0.94321%0.205SC*.  trans-79.3-30.4-178.6-64.1-178.2-179.7177.20113.4D614D614-K616 PolarHBondContact O-N 2.62Å
617S85.3Confident92.3Very high42 Ų4244.1 Ų44.129%0.29422%0.222SC..SBendtrans-79.2165.3175.252.60000111V615 K619V615-S617 WeakPolarHBondContact CG1-OG 3.41Å; S617-K619 VanDerWaalsContact C-N 3.26Å; S617-K619 WeakPolarHBondContact CB-O 3.38Å; S617-K619 PolarHBondContact O-N 2.87Å; S617-K619 PolarHBondContact OG-O 2.88Å
618R86.9Confident92.5Very high73 Ų7345.8 Ų45.828%0.27523%0.233SC..SBendtrans-60.9-37.4178.8-179.4-178.3-62.11350.6112.9I683 P686 Y687 E777R618-I683 HydrophobicContact CG-CG2 4.48Å; R618-P686 VanDerWaalsContact NH1-CD 3.27Å; R618-Y687 PolarHBondContact NH1-OH 2.98Å; R618-E777 IonicContact CZ-OE1 3.78Å; R618-E777 IonicContact NE-OE1 3.43Å; R618-E777 IonicContact NH1-OE1 3.87Å; R618-E777 PolarHBondContact NH1-OE1 3.44Å; R618-E777 IonicContact NH2-OE1 2.8Å
619K92.6Very high92.5Very high9 Ų950.3 Ų50.34%0.03925%0.253CS..SBendtrans-143.7170.4178.970179.2177.7-178.30110.1A569 S617 Y621 I683 D685A569-K619 WeakPolarHBondContact O-CE 3.49Å; A569-K619 PolarHBondContact O-NZ 2.9Å; S617-K619 VanDerWaalsContact C-N 3.26Å; S617-K619 WeakPolarHBondContact CB-O 3.38Å; S617-K619 PolarHBondContact O-N 2.87Å; S617-K619 PolarHBondContact OG-O 2.88Å; K619-Y621 HydrophobicContact CD-CE1 4.17Å; K619-Y621 HydrophobicContact CG-CD1 4.27Å; K619-Y621 HydrophobicContact CG-CD2 4.44Å; K619-Y621 HydrophobicContact CG-CE1 3.78Å; K619-Y621 HydrophobicContact CG-CE2 4Å; K619-Y621 WeakPolarHBondContact O-CD2 3.07Å; K619-Y621 WeakPolarHBondContact O-CE2 3.42Å; K619-I683 HydrophobicContact CB-CG2 4.1Å; K619-D685 WeakPolarHBondContact CE-OD1 3.39Å; K619-D685 VanDerWaalsContact NZ-CG 3.26Å; K619-D685 IonicContact NZ-OD1 3.77Å; K619-D685 PolarHBondContact NZ-OD1 3Å; K619-D685 IonicContact NZ-OD2 3.09Å; K619-D685 PolarHBondContact NZ-OD2 3.26Å
620V94.6Very high92.4Very high0 Ų052.2 Ų52.20%027%0.265CS..  trans-83.6119.2173.4178.10000109.1Q573 Y612 V615 Y622 I654 L656Q573-V620 PolarHBondContact NE2-O 2.76Å; Y612-V620 HydrophobicContact CD1-CG1 4.34Å; Y612-V620 HydrophobicContact CD1-CG2 4.07Å; Y612-V620 HydrophobicContact CD2-CB 4.44Å; Y612-V620 HydrophobicContact CD2-CG1 4.39Å; Y612-V620 HydrophobicContact CD2-CG2 3.62Å; Y612-V620 HydrophobicContact CE1-CG1 3.86Å; Y612-V620 HydrophobicContact CE1-CG2 4.39Å; Y612-V620 HydrophobicContact CE2-CB 4.32Å; Y612-V620 HydrophobicContact CE2-CG1 3.93Å; Y612-V620 HydrophobicContact CE2-CG2 3.99Å; Y612-V620 HydrophobicContact CG-CG2 3.66Å; V615-V620 HydrophobicContact CG1-CG2 4.23Å; V615-V620 HydrophobicContact CG2-CG2 4.1Å; V620-Y622 WeakPolarHBondContact CG1-O 3.42Å; V620-I654 HydrophobicContact CG2-CB 4.3Å; V620-I654 HydrophobicContact CG2-CD1 4.19Å; V620-I654 HydrophobicContact CG2-CG2 4.08Å; V620-L656 HydrophobicContact CB-CD1 4.11Å; V620-L656 HydrophobicContact CG1-CD1 4.22Å
621Y93Very high92.2Very high10 Ų1055.3 Ų55.34%0.03928%0.282CS..  trans-98-33.5177.4-61.6-85.4000112.2A567 S568 A569 K619 L732 V775 E777A567-Y621 WeakPolarHBondContact CA-O 3.44Å; S568-Y621 PolarHBondContact N-O 2.92Å; A569-Y621 HydrophobicContact CB-CD1 3.64Å; A569-Y621 HydrophobicContact CB-CE1 4.39Å; A569-Y621 HydrophobicContact CB-CG 4.49Å; K619-Y621 HydrophobicContact CD-CE1 4.17Å; K619-Y621 HydrophobicContact CG-CD1 4.27Å; K619-Y621 HydrophobicContact CG-CD2 4.44Å; K619-Y621 HydrophobicContact CG-CE1 3.78Å; K619-Y621 HydrophobicContact CG-CE2 4Å; K619-Y621 WeakPolarHBondContact O-CD2 3.07Å; K619-Y621 WeakPolarHBondContact O-CE2 3.42Å; Y621-L732 HydrophobicContact CE1-CD1 3.93Å; Y621-L732 HydrophobicContact CE1-CD2 4.11Å; Y621-L732 WeakPolarHBondContact OH-CD1 3.15Å; Y621-V775 HydrophobicContact CD1-CB 4.4Å; Y621-V775 HydrophobicContact CD1-CG1 3.92Å; Y621-V775 HydrophobicContact CD1-CG2 4.06Å; Y621-V775 HydrophobicContact CD2-CG1 4.04Å; Y621-V775 HydrophobicContact CE1-CG2 4.13Å; Y621-V775 HydrophobicContact CG-CG1 3.58Å; Y621-V775 HydrophobicContact CG-CG2 4.46Å; Y621-E777 WeakPolarHBondContact CE2-OE2 3.5Å; Y621-E777 PolarHBondContact OH-OE1 3.29Å; Y621-E777 PolarHBondContact OH-OE2 3.04Å
622Y92.5Very high92Very high26 Ų2656.1 Ų56.110%0.10229%0.287CS..BIsolated β-bridgetrans-113.9137.5-179.7-50.2-60.8000110.5V620 Y624 D625 Y773 V774 V775V620-Y622 WeakPolarHBondContact CG1-O 3.42Å; Y622-Y624 PolarHBondContact O-N 2.89Å; Y622-D625 HydrophobicContact CD2-CB 4.18Å; Y622-D625 PolarHBondContact O-N 2.75Å; Y622-Y773 HydrophobicContact CD1-CD1 4.12Å; Y622-Y773 HydrophobicContact CD1-CE1 4.33Å; Y622-Y773 AromaticContact CE1-CD1 3.8Å; Y622-Y773 HydrophobicContact CE1-CD1 3.8Å; Y622-Y773 HydrophobicContact CE1-CE1 4.01Å; Y622-V774 WeakPolarHBondContact OH-CA 3.44Å; Y622-V775 HydrophobicContact CE1-CG1 4.24Å; Y622-V775 HydrophobicContact CE2-CG1 4.14Å; Y622-V775 WeakPolarHBondContact OH-CG1 3.45Å; Y622-V775 PolarHBondContact OH-N 2.81Å; Y622-V775 PolarHBondContact OH-O 2.9Å
623P90.1Very high91.6Very high14 Ų1461.4 Ų61.49%0.09132%0.32CS..THydrogen-bonded Turntrans-66.7-18.7-176.824.6-34.5000114.7D564 S568 Y612 P628D564-P623 WeakPolarHBondContact O-CG 3.5Å; S568-P623 WeakPolarHBondContact OG-CB 3.39Å; Y612-P623 WeakPolarHBondContact OH-CA 3.17Å; Y612-P623 PolarHBondContact OH-O 3.04Å; P623-P628 WeakPolarHBondContact O-CG 3.33Å
624Y89.9Confident91.3Very high151 Ų15162.2 Ų62.259%0.59232%0.321SS*.THydrogen-bonded Turntrans-125.59.3-175.3-50.3-64.2000113Y622 P626Y622-Y624 PolarHBondContact O-N 2.89Å; Y624-P626 CarbonylContact C-O 3.53Å; Y624-P626 VanDerWaalsContact C-O 3.24Å; Y624-P626 CarbonylContact O-C 3.59Å
625D88.4Confident91.5Very high74 Ų7459.5 Ų59.540%0.39631%0.306SS..BIsolated β-bridgetrans-142105.6176.3-171.413.9000111.5Y622 R770Y622-D625 HydrophobicContact CD2-CB 4.18Å; Y622-D625 PolarHBondContact O-N 2.75Å; D625-R770 IonicContact OD2-CZ 3.18Å; D625-R770 VanDerWaalsContact OD2-CZ 3.31Å; D625-R770 IonicContact OD2-NH1 3.88Å; D625-R770 PolarHBondContact OD2-NH1 3.47Å; D625-R770 IonicContact OD2-NH2 3.42Å; D625-R770 PolarHBondContact OD2-NH2 2.91Å
626P91.8Very high91.3Very high40 Ų4061.2 Ų61.226%0.2631%0.314SS..SBendcis-67.4164.2229.8-33.9000111.9Y612 V615 Y624Y612-P626 HydrophobicContact CD1-CG 4.15Å; Y612-P626 WeakPolarHBondContact CD1-O 3.37Å; Y612-P626 WeakPolarHBondContact CE1-O 3.45Å; V615-P626 HydrophobicContact CG2-CG 4.08Å; Y624-P626 CarbonylContact C-O 3.53Å; Y624-P626 VanDerWaalsContact C-O 3.24Å; Y624-P626 CarbonylContact O-C 3.59Å
627A94.3Very high91.5Very high77 Ų7751.5 Ų51.564%0.63627%0.274SS*.PPolyproline II helixtrans-58.7134.7173.800000110.2F629A627-F629 PolarHBondContact O-N 2.71Å
628P96.5Very high91.9Very high36 Ų3649.9 Ų49.923%0.23426%0.263CS..PPolyproline II helixtrans-54.6132.9174.7-27.434.4000111.5V610 V611 Y612 P623 C630 D631V610-P628 HydrophobicContact CG1-CB 3.71Å; V610-P628 HydrophobicContact CG1-CG 3.86Å; V611-P628 CarbonylContact O-C 3.56Å; Y612-P628 HydrophobicContact CD1-CG 4.46Å; Y612-P628 HydrophobicContact CE1-CB 4.19Å; Y612-P628 HydrophobicContact CE1-CG 3.72Å; P623-P628 WeakPolarHBondContact O-CG 3.33Å; P628-C630 VanDerWaalsContact C-N 3.3Å; P628-D631 HydrophobicContact CB-CB 4.25Å
629F96.2Very high92.3Very high96 Ų9647.3 Ų47.342%0.42125%0.253SS..SBendtrans-66.4-38.5168.3177.9-105.6000110.6V611 K613 A627 M644 Y653V611-F629 HydrophobicContact CG1-CD1 4.42Å; V611-F629 WeakPolarHBondContact O-CA 3.27Å; V611-F629 WeakPolarHBondContact O-CB 3.42Å; V611-F629 PolarHBondContact O-N 2.8Å; K613-F629 HydrophobicContact CB-CB 3.92Å; K613-F629 HydrophobicContact CB-CD2 4.14Å; K613-F629 HydrophobicContact CB-CG 4.05Å; K613-F629 HydrophobicContact CD-CD2 4.13Å; K613-F629 HydrophobicContact CD-CE2 4.2Å; A627-F629 PolarHBondContact O-N 2.71Å; F629-M644 HydrophobicContact CD1-SD 3.96Å; F629-M644 HydrophobicContact CE1-CB 4.28Å; F629-M644 HydrophobicContact CE1-CG 4.05Å; F629-M644 HydrophobicContact CE1-SD 3.92Å; F629-Y653 HydrophobicContact CD1-CE1 4.34Å; F629-Y653 HydrophobicContact CE1-CE1 4.32Å
630C94.8Very high92.5Very high39 Ų3947 Ų4726%0.26425%0.253SS..EExtended strand (participates in β ladder)trans-147.4134.5172.6-176.30000109.5V610 V611 P628 V642V610-C630 CarbonylContact C-O 3.44Å; V611-C630 HydrophobicContact CB-CB 4.19Å; V611-C630 HydrophobicContact CG2-CB 4.45Å; V611-C630 PolarHBondContact N-O 2.97Å; V611-C630 PolarHBondContact O-N 2.73Å; P628-C630 VanDerWaalsContact C-N 3.3Å; C630-V642 HydrophobicContact CB-CG1 4.34Å
631D93.8Very high92.6Very high68 Ų6848.6 Ų48.636%0.36426%0.261SS..EExtended strand (participates in β ladder)trans-122.4111.6172.6-170.32.9000109.3V610 P628 R634V610-D631 HydrophobicContact CG1-CB 4.24Å; V610-D631 WeakPolarHBondContact CG2-OD1 3.35Å; P628-D631 HydrophobicContact CB-CB 4.25Å; D631-R634 IonicContact OD1-CZ 2.82Å; D631-R634 IonicContact OD1-NH1 2.54Å; D631-R634 PolarHBondContact OD1-NH1 2.97Å; D631-R634 IonicContact OD1-NH2 2.82Å; D631-R634 IonicContact OD2-CZ 3.82Å; D631-R634 IonicContact OD2-NH1 2.92Å; D631-R634 PolarHBondContact OD2-NH1 3.18Å; D631-R634 IonicContact OD2-NH2 3.61Å
632S93.3Very high92.8Very high16 Ų1648.3 Ų48.311%0.11226%0.26CS..PPolyproline II helixtrans-72.3149.4177.359.90000111.7A608 V609 R634A608-S632 WeakPolarHBondContact CA-OG 3.45Å; A608-S632 WeakPolarHBondContact CB-OG 3.42Å; V609-S632 PolarHBondContact N-OG 2.95Å; V609-S632 WeakPolarHBondContact O-CB 3.45Å; V609-S632 PolarHBondContact O-N 3.2Å; V609-S632 VanDerWaalsContact O-N 3.16Å; V609-S632 PolarHBondContact O-OG 2.93Å; S632-R634 PolarHBondContact O-N 3.06Å; S632-R634 PolarHBondContact O-NH1 3.31Å
633V88.8Confident93Very high113 Ų11350.6 Ų50.669%0.68527%0.271SS*.PPolyproline II helixtrans-62.2133.7170.4-177.40000108.2I635V633-I635 HydrophobicContact CB-CG2 4.34Å; V633-I635 HydrophobicContact CG1-CG2 4.25Å; V633-I635 WeakPolarHBondContact O-CG2 3.38Å; V633-I635 PolarHBondContact O-N 3.41Å
634R90.8Very high93.3Very high74 Ų7450.5 Ų50.528%0.27927%0.269SS..PPolyproline II helixtrans-67.1116.2172.4-81.167.4177178.8-1.6107.9F606 I607 A608 D631 S632 S658F606-R634 HydrophobicContact CB-CB 3.99Å; I607-R634 WeakPolarHBondContact O-CA 3.18Å; A608-R634 HydrophobicContact CB-CB 4.49Å; A608-R634 HydrophobicContact CB-CG 3.71Å; D631-R634 IonicContact OD1-CZ 2.82Å; D631-R634 IonicContact OD1-NH1 2.54Å; D631-R634 PolarHBondContact OD1-NH1 2.97Å; D631-R634 IonicContact OD1-NH2 2.82Å; D631-R634 IonicContact OD2-CZ 3.82Å; D631-R634 IonicContact OD2-NH1 2.92Å; D631-R634 PolarHBondContact OD2-NH1 3.18Å; D631-R634 IonicContact OD2-NH2 3.61Å; S632-R634 PolarHBondContact O-N 3.06Å; S632-R634 PolarHBondContact O-NH1 3.31Å; R634-S658 PolarHBondContact NE-OG 3.27Å; R634-S658 PolarHBondContact NH2-OG 3.24Å
635I90Very high93.6Very high51 Ų5147.9 Ų47.926%0.26227%0.265SS..BIsolated β-bridgetrans-122.4148.3-175.561.2176.2000111.5F606 I607 V633 H639 C640F606-I635 CarbonylContact C-O 3.52Å; F606-I635 VanDerWaalsContact CA-O 3.26Å; F606-I635 WeakPolarHBondContact CA-O 3.44Å; I607-I635 PolarHBondContact N-O 3.38Å; I607-I635 PolarHBondContact O-N 3.27Å; V633-I635 HydrophobicContact CB-CG2 4.34Å; V633-I635 HydrophobicContact CG1-CG2 4.25Å; V633-I635 WeakPolarHBondContact O-CG2 3.38Å; V633-I635 PolarHBondContact O-N 3.41Å; I635-H639 VanDerWaalsContact CD1-O 3.26Å; I635-H639 WeakPolarHBondContact CD1-O 3.21Å; I635-C640 HydrophobicContact CD1-CB 3.78Å; I635-C640 HydrophobicContact CG1-CB 4.1Å
636N88.2Confident94Very high59 Ų5944.4 Ų44.432%0.31625%0.246SC..SBendtrans-86.5-10177.558.5-1.5000114.2N603 E605 F606N603-N636 HydrophobicContact CB-CB 4.27Å; N603-N636 WeakPolarHBondContact CB-ND2 3.47Å; E605-N636 VanDerWaalsContact O-CA 3.31Å; E605-N636 WeakPolarHBondContact O-CA 3.41Å; F606-N636 HydrophobicContact CD1-CB 3.88Å; F606-N636 HydrophobicContact CE1-CB 3.73Å; F606-N636 HydrophobicContact CG-CB 4.36Å; F606-N636 HydrophobicContact CZ-CB 4.08Å
637S90.1Very high94.2Very high13 Ų1347.4 Ų47.49%0.09126%0.26CS..SBendtrans-60.5141.8169.5166.60000110.1H639S637-H639 PolarHBondContact O-N 3.23Å; S637-H639 VanDerWaalsContact O-N 3.15Å; S637-H639 PolarHBondContact OG-N 3.35Å; S637-H639 PolarHBondContact OG-O 2.83Å
638P93.2Very high94.4Very high9 Ų947.9 Ų47.96%0.05826%0.257CS..SBendtrans-62-22.9176.225.9-34.1000112.3I397 T591 R592 I594I397-P638 HydrophobicContact CD1-CG 3.8Å; I397-P638 HydrophobicContact CG1-CG 3.98Å; I397-P638 HydrophobicContact CG2-CG 4.2Å; T591-P638 CarbonylContact C-O 3.58Å; T591-P638 WeakPolarHBondContact CA-O 3.41Å; R592-P638 PolarHBondContact N-O 2.93Å; I594-P638 HydrophobicContact CD1-CB 4.24Å; I594-P638 HydrophobicContact CG1-CB 4.02Å
639H95.7Very high94.4Very high18 Ų1847.8 Ų47.88%0.08326%0.262CS..EExtended strand (participates in β ladder)trans-112.2120.8-177.6-56.8-58.2000111.9H400 P407 L589 L590 T591 I635 S637H400-H639 AromaticContact CD2-CE1 3.3Å; H400-H639 PolarHBondContact CD2-CE1 2.84Å; H400-H639 AromaticContact CD2-NE2 3.45Å; H400-H639 PolarHBondContact CD2-NE2 2.76Å; H400-H639 AromaticContact NE2-CE1 3.79Å; P407-H639 HydrophobicContact CB-CB 4.43Å; P407-H639 HydrophobicContact CG-CB 3.62Å; L589-H639 HydrophobicContact CD1-CB 4.07Å; L590-H639 WeakPolarHBondContact O-CA 3.42Å; T591-H639 VanDerWaalsContact CG2-CE1 3.42Å; T591-H639 WeakPolarHBondContact CG2-CE1 3.35Å; T591-H639 WeakPolarHBondContact CG2-ND1 3.34Å; T591-H639 PolarHBondContact OG1-ND1 3.26Å; I635-H639 VanDerWaalsContact CD1-O 3.26Å; I635-H639 WeakPolarHBondContact CD1-O 3.21Å; S637-H639 PolarHBondContact O-N 3.23Å; S637-H639 VanDerWaalsContact O-N 3.15Å; S637-H639 PolarHBondContact OG-N 3.35Å; S637-H639 PolarHBondContact OG-O 2.83Å
640C96Very high94.4Very high3 Ų347.3 Ų47.32%0.0227%0.267CS..EExtended strand (participates in β ladder)trans-116.6117.2173.6177.20000110.3L589 L590 I607 I635L589-C640 WeakPolarHBondContact CA-O 3.4Å; L590-C640 HydrophobicContact CB-CB 4.31Å; L590-C640 PolarHBondContact N-O 2.77Å; L590-C640 PolarHBondContact O-N 3.05Å; I607-C640 HydrophobicContact CD1-CB 4.12Å; I607-C640 HydrophobicContact CG1-CB 4.49Å; I635-C640 HydrophobicContact CD1-CB 3.78Å; I635-C640 HydrophobicContact CG1-CB 4.1Å
641L97.6Very high94.5Very high34 Ų3446.3 Ų46.318%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-109.2123.7-177.4-177.569000110.9I406 E408 W587 V588 L589 K643I406-L641 HydrophobicContact CG2-CD1 3.77Å; I406-L641 HydrophobicContact CG2-CD2 4.18Å; E408-L641 HydrophobicContact CB-CD2 3.92Å; E408-L641 HydrophobicContact CG-CD2 4.33Å; W587-L641 HydrophobicContact CB-CD1 4.22Å; W587-L641 HydrophobicContact CE3-CD1 4.18Å; W587-L641 HydrophobicContact CE3-CD2 3.96Å; W587-L641 HydrophobicContact CZ3-CD2 4.14Å; V588-L641 CarbonylContact O-C 3.12Å; V588-L641 WeakPolarHBondContact O-CA 3.44Å; L589-L641 HydrophobicContact CB-CD1 4.17Å; L589-L641 HydrophobicContact CD1-CB 4.28Å; L589-L641 HydrophobicContact CD1-CD1 4.32Å; L641-K643 HydrophobicContact CD2-CD 4.16Å; L641-K643 HydrophobicContact CD2-CG 4.17Å; L641-K643 HydrophobicContact CG-CG 4.12Å
642V97.7Very high94.6Very high4 Ų445.3 Ų45.32%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-108.4136.8168.7175.90000109.1W587 V588 V609 V611 C630 M644W587-V642 CarbonylContact C-O 3.56Å; W587-V642 WeakPolarHBondContact CA-O 3.34Å; V588-V642 HydrophobicContact CB-CB 4.4Å; V588-V642 PolarHBondContact N-O 3.02Å; V588-V642 PolarHBondContact O-N 3.17Å; V609-V642 HydrophobicContact CB-CG2 3.89Å; V609-V642 HydrophobicContact CG1-CG2 4.33Å; V611-V642 HydrophobicContact CG2-CG1 3.98Å; C630-V642 HydrophobicContact CB-CG1 4.34Å; V642-M644 HydrophobicContact CG1-CG 4.15Å
643K96.7Very high94.8Very high74 Ų7444.6 Ų44.632%0.32225%0.25SC..EExtended strand (participates in β ladder)trans-123.9133.4-179.5-60.2-176.4-75.1-177.70109.4E408 W587 L641E408-K643 IonicContact OE1-NZ 2.64Å; E408-K643 PolarHBondContact OE1-NZ 3.22Å; E408-K643 IonicContact OE2-NZ 2.59Å; E408-K643 PolarHBondContact OE2-NZ 2.9Å; W587-K643 HydrophobicContact CD2-CD 3.82Å; W587-K643 HydrophobicContact CD2-CG 3.73Å; W587-K643 VanDerWaalsContact CE2-CD 3.42Å; W587-K643 HydrophobicContact CE3-CD 4.24Å; W587-K643 HydrophobicContact CE3-CG 4.37Å; W587-K643 HydrophobicContact CG-CB 4.39Å; W587-K643 HydrophobicContact CG-CD 4.43Å; W587-K643 HydrophobicContact CG-CG 3.84Å; W587-K643 HydrophobicContact CH2-CD 3.97Å; W587-K643 HydrophobicContact CZ2-CD 3.52Å; W587-K643 HydrophobicContact CZ2-CG 4.31Å; W587-K643 HydrophobicContact CZ3-CD 4.31Å; L641-K643 HydrophobicContact CD2-CD 4.16Å; L641-K643 HydrophobicContact CD2-CG 4.17Å; L641-K643 HydrophobicContact CG-CG 4.12Å
644M96.1Very high95.3Very high12 Ų1239.4 Ų39.46%0.05922%0.218CC..EExtended strand (participates in β ladder)trans-136.4151.1-177.9-56.8179.5-63.900109.8I586 V588 V611 F629 V642I586-M644 HydrophobicContact CB-CB 4.5Å; I586-M644 HydrophobicContact CB-CE 4.19Å; I586-M644 HydrophobicContact CG2-CE 3.8Å; I586-M644 PolarHBondContact N-O 2.94Å; I586-M644 PolarHBondContact O-N 2.8Å; V588-M644 HydrophobicContact CG2-CE 4.1Å; V611-M644 HydrophobicContact CB-SD 4.05Å; V611-M644 HydrophobicContact CG1-CE 4.31Å; V611-M644 HydrophobicContact CG1-SD 3.6Å; V611-M644 VanDerWaalsContact CG1-SD 3.6Å; V611-M644 HydrophobicContact CG2-SD 3.96Å; F629-M644 HydrophobicContact CD1-SD 3.96Å; F629-M644 HydrophobicContact CE1-CB 4.28Å; F629-M644 HydrophobicContact CE1-CG 4.05Å; F629-M644 HydrophobicContact CE1-SD 3.92Å; V642-M644 HydrophobicContact CG1-CG 4.15Å
645L96.5Very high95.6Very high95 Ų9535.9 Ų35.950%0.49721%0.205SC..EExtended strand (participates in β ladder)trans-117.4127172.3-164.764.5000107.1E583E583-L645 VanDerWaalsContact CD-CD2 3.44Å; E583-L645 HydrophobicContact CG-CD1 3.66Å; E583-L645 HydrophobicContact CG-CD2 4.1Å; E583-L645 HydrophobicContact CG-CG 3.65Å; E583-L645 WeakPolarHBondContact OE2-CD2 3.32Å
646Q95.9Very high96Very high1 Ų133.5 Ų33.51%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-111.6129.3-179.1163167.3-33.900109.7V578 E583 S584 I586 G649 Y653V578-Q646 PolarHBondContact O-NE2 2.68Å; E583-Q646 CarbonylContact C-O 3.52Å; E583-Q646 VanDerWaalsContact CA-O 3.27Å; E583-Q646 WeakPolarHBondContact CA-O 3.21Å; S584-Q646 PolarHBondContact N-O 2.87Å; S584-Q646 PolarHBondContact O-N 2.81Å; I586-Q646 HydrophobicContact CD1-CB 3.68Å; Q646-G649 PolarHBondContact NE2-O 3.19Å; Q646-G649 VanDerWaalsContact NE2-O 3.1Å; Q646-Y653 PolarHBondContact OE1-OH 2.95Å
647D96.3Very high96.3Very high104 Ų10430.7 Ų30.756%0.55618%0.178SC*.  trans-63.9158.6168.4-63.7-52.5000112G649D647-G649 PolarHBondContact O-N 3.3Å
648P97.6Very high96.5Very high86 Ų8630 Ų3056%0.55817%0.173SC*.SBendtrans-53.4141.4175.8-21.330000112.8
649G97.2Very high96.3Very high34 Ų3429.7 Ų29.735%0.35117%0.171SC..EExtended strand (participates in β ladder)trans125.1-175.3-177.900000112.9A580 Q646 D647A580-G649 PolarHBondContact N-O 2.78Å; A580-G649 PolarHBondContact O-N 2.99Å; Q646-G649 PolarHBondContact NE2-O 3.19Å; Q646-G649 VanDerWaalsContact NE2-O 3.1Å; D647-G649 PolarHBondContact O-N 3.3Å
650T96.7Very high95.8Very high87 Ų8735 Ų3553%0.53419%0.191SC..EExtended strand (participates in β ladder)trans-96.8126.4172.7-59.80000109.1E577 V578 T579E577-T650 HydrophobicContact CG-CG2 3.94Å; V578-T650 WeakPolarHBondContact O-CA 3.25Å; T579-T650 WeakPolarHBondContact OG1-CG2 3.29Å; T579-T650 PolarHBondContact OG1-OG1 2.89Å
651C96.4Very high95.1Very high18 Ų1838.1 Ų38.112%0.12221%0.206CC..EExtended strand (participates in β ladder)trans-126.5146.8174.8-66.70000109.9E577 V578 Y653E577-C651 WeakPolarHBondContact CA-O 3.18Å; V578-C651 PolarHBondContact N-O 2.82Å; V578-C651 PolarHBondContact O-N 2.86Å; C651-Y653 HydrophobicContact CB-CE2 3.84Å
652N95.8Very high94.4Very high46 Ų4636.9 Ų36.925%0.24620%0.199CC..EExtended strand (participates in β ladder)trans-113.8129.9174.9-172.2-70.9000109.5N575 D614N575-N652 PolarHBondContact ND2-ND2 3.4Å; N575-N652 PolarHBondContact OD1-ND2 3.33Å; N575-N652 PolarHBondContact OD1-OD1 2.68Å; N575-N652 VanDerWaalsContact OD1-OD1 3.11Å; D614-N652 PolarHBondContact N-O 2.86Å
653Y98Very high93.7Very high1 Ų140.1 Ų40.10%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-120.2147174.8-53.2-86.5000110.6L576 V578 I586 V611 Y612 K613 F629 Q646 C651L576-Y653 HydrophobicContact CD2-CD2 4.32Å; L576-Y653 HydrophobicContact CG-CD2 4.37Å; L576-Y653 PolarHBondContact N-O 2.69Å; L576-Y653 PolarHBondContact O-N 2.78Å; V578-Y653 HydrophobicContact CG2-CE2 4.4Å; I586-Y653 HydrophobicContact CD1-CE2 4.01Å; V611-Y653 HydrophobicContact CG1-CD1 3.91Å; V611-Y653 HydrophobicContact CG1-CG 4.27Å; Y612-Y653 CarbonylContact O-C 3.55Å; Y612-Y653 WeakPolarHBondContact O-CA 3.36Å; K613-Y653 HydrophobicContact CB-CD1 3.98Å; K613-Y653 HydrophobicContact CB-CE1 4.08Å; K613-Y653 HydrophobicContact CD-CE1 3.91Å; K613-Y653 HydrophobicContact CG-CD1 3.97Å; K613-Y653 HydrophobicContact CG-CE1 3.72Å; F629-Y653 HydrophobicContact CD1-CE1 4.34Å; F629-Y653 HydrophobicContact CE1-CE1 4.32Å; Q646-Y653 PolarHBondContact OE1-OH 2.95Å; C651-Y653 HydrophobicContact CB-CE2 3.84Å
654I98.4Very high93.1Very high4 Ų440.2 Ų40.22%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-103.8120.1163.9-61.5-172.3000108.5Q573 Y574 V611 Y612 V615 V620 I683Q573-I654 HydrophobicContact CB-CG2 4.1Å; Q573-I654 HydrophobicContact CG-CG2 4.35Å; Y574-I654 CarbonylContact O-C 3.58Å; Y574-I654 WeakPolarHBondContact O-CA 3.28Å; V611-I654 WeakPolarHBondContact CA-O 3.32Å; Y612-I654 PolarHBondContact N-O 2.89Å; Y612-I654 PolarHBondContact O-N 2.69Å; V615-I654 HydrophobicContact CB-CD1 3.73Å; V615-I654 HydrophobicContact CB-CG1 4.28Å; V615-I654 HydrophobicContact CG1-CD1 3.84Å; V615-I654 HydrophobicContact CG2-CB 4.34Å; V615-I654 HydrophobicContact CG2-CD1 3.83Å; V615-I654 HydrophobicContact CG2-CG1 4.02Å; V620-I654 HydrophobicContact CG2-CB 4.3Å; V620-I654 HydrophobicContact CG2-CD1 4.19Å; V620-I654 HydrophobicContact CG2-CG2 4.08Å; I654-I683 HydrophobicContact CD1-CD1 3.82Å; I654-I683 HydrophobicContact CG1-CD1 4.03Å; I654-I683 HydrophobicContact CG2-CD1 4Å
655L98.3Very high92.9Very high0 Ų041.9 Ų41.90%024%0.236CC..EExtended strand (participates in β ladder)trans-93.4110.8171.8-48.6179.1000108.4Q573 Y574 L576 V588 V611 L670 V672 L680Q573-L655 CarbonylContact C-O 3.59Å; Q573-L655 WeakPolarHBondContact CA-O 3.27Å; Y574-L655 PolarHBondContact N-O 3.35Å; Y574-L655 PolarHBondContact O-N 3.5Å; L576-L655 HydrophobicContact CB-CD1 4.14Å; L576-L655 HydrophobicContact CB-CG 4.13Å; L576-L655 HydrophobicContact CD2-CD1 4.11Å; L576-L655 HydrophobicContact CD2-CD2 4.19Å; L576-L655 HydrophobicContact CD2-CG 4.41Å; V588-L655 HydrophobicContact CG1-CD1 3.93Å; V588-L655 HydrophobicContact CG2-CD1 4.12Å; V588-L655 HydrophobicContact CG2-CD2 4.06Å; V611-L655 HydrophobicContact CB-CD2 4.44Å; V611-L655 HydrophobicContact CG1-CD2 3.98Å; V611-L655 HydrophobicContact CG2-CD2 3.81Å; L655-L670 HydrophobicContact CB-CD2 4.43Å; L655-L670 HydrophobicContact CD1-CD2 4.04Å; L655-V672 HydrophobicContact CD1-CG2 4.11Å; L655-L680 HydrophobicContact CD1-CD1 3.97Å
656L97Very high92.6Very high1 Ų137.6 Ų37.61%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-104.9127.6179.3-174.6146.6000110.1N571 Q573 V609 V610 Y612 V620N571-L656 HydrophobicContact CB-CD1 4.25Å; N571-L656 HydrophobicContact CB-CD2 4Å; N571-L656 HydrophobicContact CB-CG 3.99Å; Q573-L656 HydrophobicContact CG-CB 4.13Å; Q573-L656 HydrophobicContact CG-CD1 3.74Å; Q573-L656 HydrophobicContact CG-CG 3.88Å; V609-L656 WeakPolarHBondContact CA-O 3.4Å; V610-L656 HydrophobicContact CB-CB 4.35Å; V610-L656 HydrophobicContact CB-CD2 4.35Å; V610-L656 HydrophobicContact CG2-CD2 4.2Å; V610-L656 PolarHBondContact N-O 2.85Å; V610-L656 PolarHBondContact O-N 2.79Å; Y612-L656 HydrophobicContact CD2-CB 4.46Å; Y612-L656 HydrophobicContact CE2-CB 3.96Å; Y612-L656 HydrophobicContact CE2-CD1 4.2Å; V620-L656 HydrophobicContact CB-CD1 4.11Å; V620-L656 HydrophobicContact CG1-CD1 4.22Å
657I95.7Very high92.6Very high0 Ų041.1 Ų41.10%023%0.227CC..EExtended strand (participates in β ladder)trans-87.3125.3175.8-50-51.5000108.7N571 P572 Y574 L590 V609 Y668 L670N571-I657 WeakPolarHBondContact CB-O 3.35Å; N571-I657 PolarHBondContact ND2-O 2.99Å; P572-I657 HydrophobicContact CB-CB 4.12Å; P572-I657 HydrophobicContact CB-CG1 4.09Å; P572-I657 HydrophobicContact CG-CB 4.25Å; P572-I657 PolarHBondContact O-N 2.99Å; Y574-I657 HydrophobicContact CD2-CG1 4.44Å; Y574-I657 HydrophobicContact CE2-CG1 3.99Å; L590-I657 HydrophobicContact CD1-CD1 4.02Å; L590-I657 HydrophobicContact CD1-CG2 4.41Å; L590-I657 HydrophobicContact CD2-CD1 4.21Å; L590-I657 HydrophobicContact CD2-CG2 3.9Å; V609-I657 HydrophobicContact CG2-CD1 4.13Å; I657-Y668 HydrophobicContact CG1-CE2 4.12Å; I657-L670 HydrophobicContact CD1-CD1 4.06Å; I657-L670 HydrophobicContact CD1-CD2 4.32Å
658S93.5Very high92.6Very high0 Ų036.2 Ų36.20%020%0.201CC..EExtended strand (participates in β ladder)trans-121149-179.2178.30000109.9D564 A608 R634D564-S658 WeakPolarHBondContact OD2-CB 3.45Å; D564-S658 PolarHBondContact OD2-OG 2.82Å; A608-S658 PolarHBondContact N-O 2.68Å; A608-S658 PolarHBondContact O-N 3.1Å; R634-S658 PolarHBondContact NE-OG 3.27Å; R634-S658 PolarHBondContact NH2-OG 3.24Å
659Q88.9Confident92.6Very high2 Ų232.2 Ų32.21%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-140.2131.3179.5-178.6178.313.100109.5W555 E605 F606 E661 K662 I666W555-Q659 HydrophobicContact CE3-CB 4.3Å; W555-Q659 HydrophobicContact CH2-CB 4.24Å; W555-Q659 HydrophobicContact CZ3-CB 3.54Å; E605-Q659 PolarHBondContact OE2-NE2 2.83Å; F606-Q659 VanDerWaalsContact O-CA 3.32Å; F606-Q659 WeakPolarHBondContact O-CA 3.46Å; Q659-E661 PolarHBondContact O-N 3.18Å; Q659-K662 HydrophobicContact CB-CB 4.21Å; Q659-K662 HydrophobicContact CG-CB 4.06Å; Q659-I666 VanDerWaalsContact NE2-CG2 3.33Å
660Y85.4Confident92.7Very high130 Ų13030.6 Ų30.651%0.5116%0.158SC..THydrogen-bonded Turntrans-72.2128.7175.5-176.5-104.9000110.4F606 K662F606-Y660 HydrophobicContact CD2-CD1 4.38Å; F606-Y660 PolarHBondContact O-N 2.89Å; Y660-K662 VanDerWaalsContact C-N 3.27Å; Y660-K662 PolarHBondContact O-N 3.48Å
661E82.3Confident92.8Very high68 Ų6828.9 Ų28.932%0.31814%0.142SC..THydrogen-bonded Turntrans48.842.8176.1-64-155.116200115.3K562 K563 Q659 S663K562-E661 CarbonylContact O-C 3.47Å; K562-E661 WeakPolarHBondContact O-CA 3.32Å; K563-E661 WeakPolarHBondContact CE-OE1 3.46Å; K563-E661 IonicContact NZ-OE1 3.34Å; K563-E661 PolarHBondContact NZ-OE1 2.94Å; Q659-E661 PolarHBondContact O-N 3.18Å; E661-S663 PolarHBondContact O-N 3.07Å
662K82.5Confident92.9Very high7 Ų728 Ų283%0.0314%0.136CC..  trans-48.1123-177.1177168.2-179.5-74.30112.8W555 L556 A557 S559 K562 Q659 Y660W555-K662 HydrophobicContact CD2-CD 3.62Å; W555-K662 VanDerWaalsContact CE2-CD 3.44Å; W555-K662 VanDerWaalsContact CE2-CE 3.41Å; W555-K662 HydrophobicContact CE3-CD 3.77Å; W555-K662 HydrophobicContact CG-CD 4.38Å; W555-K662 HydrophobicContact CH2-CD 3.62Å; W555-K662 HydrophobicContact CZ2-CD 3.46Å; W555-K662 VanDerWaalsContact CZ2-CD 3.46Å; W555-K662 HydrophobicContact CZ3-CD 3.78Å; L556-K662 PolarHBondContact O-NZ 2.82Å; A557-K662 PolarHBondContact O-NZ 2.96Å; S559-K662 PolarHBondContact O-NZ 2.93Å; K562-K662 WeakPolarHBondContact CG-O 3.49Å; K562-K662 PolarHBondContact O-N 2.92Å; K562-K662 VanDerWaalsContact O-N 3.08Å; Q659-K662 HydrophobicContact CB-CB 4.21Å; Q659-K662 HydrophobicContact CG-CB 4.06Å; Y660-K662 VanDerWaalsContact C-N 3.27Å; Y660-K662 PolarHBondContact O-N 3.48Å
663S81.7Confident93Very high73 Ų7326.3 Ų26.351%0.5113%0.126SC..  trans-136-9.7178.960.90000114.4E661E661-S663 PolarHBondContact O-N 3.07Å
664I85.8Confident93.1Very high75 Ų7526.2 Ų26.239%0.38513%0.126SC..SBendtrans-129.9165.9-175.964.1169000111.7E605 I666E605-I664 HydrophobicContact CG-CD1 3.94Å; E605-I664 VanDerWaalsContact OE1-CD1 3.29Å; E605-I664 WeakPolarHBondContact OE1-CD1 3.41Å; I664-I666 HydrophobicContact CD1-CG2 4.49Å; I664-I666 HydrophobicContact CG1-CG2 4.18Å
665T91.1Very high93.1Very high47 Ų4728.3 Ų28.329%0.28814%0.139SC..  trans-73130168.3-64.90000108.2W555 L556 A557 Y667W555-T665 VanDerWaalsContact O-CA 3.28Å; W555-T665 WeakPolarHBondContact O-CA 3.41Å; L556-T665 HydrophobicContact CD2-CG2 4.22Å; A557-T665 PolarHBondContact N-OG1 3.23Å; T665-Y667 HydrophobicContact CG2-CD2 4.43Å; T665-Y667 HydrophobicContact CG2-CE2 3.9Å
666I90.7Very high93.1Very high6 Ų628.5 Ų28.53%0.03114%0.141CC..EExtended strand (participates in β ladder)trans-113.4144171.164.7166.4000110.6C554 W555 I607 Q659 I664 Y668C554-I666 CarbonylContact C-O 3.57Å; C554-I666 VanDerWaalsContact CA-O 3.27Å; C554-I666 WeakPolarHBondContact CA-O 3.45Å; W555-I666 HydrophobicContact CB-CG1 3.83Å; W555-I666 HydrophobicContact CE3-CD1 4.03Å; W555-I666 HydrophobicContact CE3-CG1 4.38Å; W555-I666 PolarHBondContact N-O 2.86Å; W555-I666 PolarHBondContact O-N 2.89Å; I607-I666 HydrophobicContact CG2-CD1 4.24Å; Q659-I666 VanDerWaalsContact NE2-CG2 3.33Å; I664-I666 HydrophobicContact CD1-CG2 4.49Å; I664-I666 HydrophobicContact CG1-CG2 4.18Å; I666-Y668 HydrophobicContact CD1-CD1 4.37Å; I666-Y668 HydrophobicContact CG1-CD1 4.34Å
667Y95.7Very high93.1Very high75 Ų7531.2 Ų31.229%0.29416%0.158SC..EExtended strand (participates in β ladder)trans-110.1142.5170.6-61.7-91.5000108.1V212 T216 D553 C554 H593 T665V212-Y667 HydrophobicContact CB-CD1 4.41Å; V212-Y667 HydrophobicContact CG1-CD1 4.03Å; V212-Y667 HydrophobicContact CG2-CD1 4.25Å; T216-Y667 VanDerWaalsContact CG2-CB 3.47Å; T216-Y667 HydrophobicContact CG2-CD1 4.06Å; T216-Y667 HydrophobicContact CG2-CD2 3.82Å; T216-Y667 HydrophobicContact CG2-CG 3.52Å; D553-Y667 WeakPolarHBondContact O-CA 3.12Å; C554-Y667 HydrophobicContact CB-CD1 3.55Å; C554-Y667 HydrophobicContact CB-CE1 3.76Å; C554-Y667 HydrophobicContact CB-CG 4.31Å; H593-Y667 PolarHBondContact N-O 3.45Å; T665-Y667 HydrophobicContact CG2-CD2 4.43Å; T665-Y667 HydrophobicContact CG2-CE2 3.9Å
668Y96.6Very high93.2Very high1 Ų132.8 Ų32.80%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-154.7160.4-176.360.6-87.3000112.9D553 W555 P572 Y574 L590 T591 I657 I666D553-Y668 HydrophobicContact CB-CE1 4.28Å; D553-Y668 HydrophobicContact CB-CE2 3.91Å; D553-Y668 PolarHBondContact N-O 3.05Å; D553-Y668 PolarHBondContact O-N 3.13Å; W555-Y668 HydrophobicContact CB-CE1 4.11Å; P572-Y668 WeakPolarHBondContact CB-OH 3.41Å; P572-Y668 WeakPolarHBondContact CG-OH 3.5Å; Y574-Y668 HydrophobicContact CE2-CE2 4.21Å; Y574-Y668 WeakPolarHBondContact OH-CE2 3.36Å; Y574-Y668 PolarHBondContact OH-OH 3.06Å; L590-Y668 HydrophobicContact CD1-CD2 3.52Å; L590-Y668 HydrophobicContact CD1-CE2 4.34Å; L590-Y668 HydrophobicContact CD1-CG 3.86Å; T591-Y668 CarbonylContact O-C 3.58Å; T591-Y668 WeakPolarHBondContact O-CA 3.18Å; T591-Y668 VanDerWaalsContact O-CB 3.3Å; T591-Y668 WeakPolarHBondContact O-CB 3.49Å; I657-Y668 HydrophobicContact CG1-CE2 4.12Å; I666-Y668 HydrophobicContact CD1-CD1 4.37Å; I666-Y668 HydrophobicContact CG1-CD1 4.34Å
669T98.1Very high93.5Very high1 Ų136.4 Ų36.41%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-111.7126.7165.3-55.80000109G342 C550 V551 N552 T591 H593G342-T669 WeakPolarHBondContact CA-OG1 3.45Å; C550-T669 HydrophobicContact CB-CG2 3.69Å; V551-T669 CarbonylContact O-C 3.52Å; V551-T669 VanDerWaalsContact O-CA 3.31Å; V551-T669 WeakPolarHBondContact O-CA 3.48Å; N552-T669 PolarHBondContact OD1-OG1 2.81Å; T591-T669 PolarHBondContact N-O 2.82Å; T591-T669 PolarHBondContact O-N 2.88Å; H593-T669 PolarHBondContact NE2-N 2.82Å; H593-T669 PolarHBondContact NE2-OG1 2.98Å
670L98.4Very high93.9Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-102114168.7-177.265.1000108.5C550 V551 Y574 V588 L590 L655 I657C550-L670 CarbonylContact C-O 3.56Å; C550-L670 WeakPolarHBondContact CA-O 3.34Å; C550-L670 WeakPolarHBondContact CB-O 3.5Å; V551-L670 PolarHBondContact N-O 3.02Å; V551-L670 PolarHBondContact O-N 2.78Å; Y574-L670 HydrophobicContact CD1-CD2 4.23Å; Y574-L670 HydrophobicContact CD2-CD2 3.4Å; Y574-L670 VanDerWaalsContact CD2-CD2 3.4Å; Y574-L670 HydrophobicContact CE2-CD2 3.8Å; Y574-L670 HydrophobicContact CG-CD2 3.65Å; V588-L670 HydrophobicContact CG1-CD1 3.51Å; V588-L670 HydrophobicContact CG1-CG 4.46Å; L590-L670 HydrophobicContact CB-CD1 4.37Å; L590-L670 HydrophobicContact CD1-CD1 4.49Å; L655-L670 HydrophobicContact CB-CD2 4.43Å; L655-L670 HydrophobicContact CD1-CD2 4.04Å; I657-L670 HydrophobicContact CD1-CD1 4.06Å; I657-L670 HydrophobicContact CD1-CD2 4.32Å
671R98.2Very high94.4Very high52 Ų5234.2 Ų34.220%0.19619%0.189CC..EExtended strand (participates in β ladder)trans-117.9133.2-178.2-172.4175.9-64.8-76.41.2110.6G342 T549 C550 L589 Y673G342-R671 PolarHBondContact O-NH2 3.34Å; T549-R671 WeakPolarHBondContact O-CA 3.37Å; C550-R671 HydrophobicContact CB-CB 3.87Å; C550-R671 HydrophobicContact CB-CG 3.97Å; C550-R671 VanDerWaalsContact SG-CZ 3.52Å; C550-R671 PolarHBondContact SG-NH1 2.86Å; C550-R671 VanDerWaalsContact SG-NH1 3.4Å; C550-R671 PolarHBondContact SG-NH2 2.79Å; L589-R671 PolarHBondContact N-O 3.47Å; L589-R671 PolarHBondContact O-N 3.49Å; R671-Y673 HydrophobicContact CB-CE2 4.42Å; R671-Y673 WeakPolarHBondContact CD-OH 3.22Å; R671-Y673 HydrophobicContact CG-CD2 4.45Å; R671-Y673 HydrophobicContact CG-CE1 4.42Å; R671-Y673 HydrophobicContact CG-CE2 3.82Å
672V98.8Very high95Very high0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-112.3139.2177.1179.90000109T548 T549 L576 I586 W587 V588 L655 F678 L680T548-V672 WeakPolarHBondContact CA-O 3.38Å; T548-V672 WeakPolarHBondContact CB-O 3.38Å; T548-V672 PolarHBondContact OG1-O 2.86Å; T549-V672 PolarHBondContact N-O 3.23Å; T549-V672 PolarHBondContact O-N 2.84Å; L576-V672 HydrophobicContact CD1-CG1 4.13Å; L576-V672 HydrophobicContact CD2-CG1 4.25Å; I586-V672 HydrophobicContact CG2-CG1 4.11Å; W587-V672 CarbonylContact O-C 3.53Å; W587-V672 WeakPolarHBondContact O-CA 3.13Å; V588-V672 HydrophobicContact CG1-CG2 4.48Å; V588-V672 HydrophobicContact CG2-CG2 4.25Å; L655-V672 HydrophobicContact CD1-CG2 4.11Å; V672-F678 HydrophobicContact CB-CE1 4.47Å; V672-F678 HydrophobicContact CB-CE2 3.61Å; V672-F678 HydrophobicContact CB-CZ 3.56Å; V672-F678 HydrophobicContact CG1-CD1 4.5Å; V672-F678 HydrophobicContact CG1-CD2 4.17Å; V672-F678 HydrophobicContact CG1-CE1 3.99Å; V672-F678 HydrophobicContact CG1-CE2 3.61Å; V672-F678 HydrophobicContact CG1-CZ 3.51Å; V672-F678 HydrophobicContact CG2-CE2 4.37Å; V672-L680 HydrophobicContact CG2-CD1 4.27Å; V672-L680 HydrophobicContact CG2-CD2 3.95Å
673Y98.7Very high95.6Very high9 Ų936.2 Ų36.24%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-124131.3172.3-56.1-91.3000108.3I406 P542 F545 Y547 T548 I586 W587 L589 R671I406-Y673 HydrophobicContact CD1-CD1 3.77Å; I406-Y673 HydrophobicContact CD1-CD2 3.76Å; I406-Y673 HydrophobicContact CD1-CE1 3.81Å; I406-Y673 HydrophobicContact CD1-CE2 3.79Å; I406-Y673 HydrophobicContact CD1-CG 3.73Å; I406-Y673 HydrophobicContact CG1-CD1 4.43Å; I406-Y673 HydrophobicContact CG1-CD2 4.25Å; I406-Y673 HydrophobicContact CG1-CE1 3.97Å; I406-Y673 HydrophobicContact CG1-CE2 3.74Å; I406-Y673 HydrophobicContact CG2-CE2 4.24Å; P542-Y673 HydrophobicContact CB-CD1 4.49Å; P542-Y673 HydrophobicContact CB-CE1 3.94Å; F545-Y673 HydrophobicContact CD2-CD1 4.37Å; F545-Y673 HydrophobicContact CD2-CG 4.28Å; F545-Y673 HydrophobicContact CG-CG 4.5Å; Y547-Y673 CarbonylContact O-C 3.55Å; Y547-Y673 WeakPolarHBondContact O-CA 3.08Å; T548-Y673 WeakPolarHBondContact OG1-CD1 3.33Å; I586-Y673 CarbonylContact C-O 3.58Å; I586-Y673 WeakPolarHBondContact CA-O 3.3Å; W587-Y673 PolarHBondContact N-O 3.33Å; W587-Y673 PolarHBondContact O-N 3.34Å; L589-Y673 HydrophobicContact CB-CE2 4.16Å; L589-Y673 HydrophobicContact CD2-CE2 4.37Å; R671-Y673 HydrophobicContact CB-CE2 4.42Å; R671-Y673 WeakPolarHBondContact CD-OH 3.22Å; R671-Y673 HydrophobicContact CG-CD2 4.45Å; R671-Y673 HydrophobicContact CG-CE1 4.42Å; R671-Y673 HydrophobicContact CG-CE2 3.82Å
674S98.6Very high96Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-145145.4-176.6-178.50000111.6Q546 Y547 S585 A676Q546-S674 PolarHBondContact N-O 3.34Å; Y547-S674 PolarHBondContact N-O 3.31Å; Y547-S674 PolarHBondContact O-N 2.64Å; S585-S674 WeakPolarHBondContact O-CA 3.01Å; S674-A676 VanDerWaalsContact C-N 3.27Å; S674-A676 WeakPolarHBondContact CB-O 3.4Å; S674-A676 PolarHBondContact OG-N 3.15Å; S674-A676 PolarHBondContact OG-O 3.4Å
675T98.4Very high96Very high47 Ų4739.8 Ų39.829%0.28820%0.204SC..SBendtrans-81.3-8.2167.847.80000112.9F545 Q546 S584 S585F545-T675 HydrophobicContact CD1-CG2 4.16Å; Q546-T675 PolarHBondContact OE1-O 2.83Å; S584-T675 WeakPolarHBondContact CA-OG1 3.36Å; S584-T675 PolarHBondContact OG-OG1 3.29Å; S585-T675 PolarHBondContact N-OG1 2.96Å; S585-T675 PolarHBondContact O-N 3.39Å; S585-T675 PolarHBondContact O-OG1 3.1Å
676A98.4Very high95.9Very high5 Ų540 Ų404%0.04121%0.207CC..SBendtrans-121151.5175.400000111.4Y547 V578 A580 S584 S674Y547-A676 WeakPolarHBondContact CD2-O 3.27Å; V578-A676 HydrophobicContact CG1-CB 3.92Å; A580-A676 HydrophobicContact CB-CB 3.67Å; S584-A676 WeakPolarHBondContact OG-CB 3.39Å; S584-A676 PolarHBondContact OG-N 2.78Å; S584-A676 VanDerWaalsContact OG-N 3.17Å; S674-A676 VanDerWaalsContact C-N 3.27Å; S674-A676 WeakPolarHBondContact CB-O 3.4Å; S674-A676 PolarHBondContact OG-N 3.15Å; S674-A676 PolarHBondContact OG-O 3.4Å
677P98.4Very high96Very high58 Ų5840.9 Ų40.938%0.37721%0.21SC..  trans-61.5145.2176.626.9-35000111Y547 T579Y547-P677 HydrophobicContact CD1-CB 4.2Å; Y547-P677 HydrophobicContact CE1-CB 3.82Å; Y547-P677 HydrophobicContact CE2-CB 4.36Å; T579-P677 PolarHBondContact N-O 3.08Å; T579-P677 VanDerWaalsContact N-O 3.07Å; T579-P677 WeakPolarHBondContact O-CD 3.4Å; T579-P677 WeakPolarHBondContact O-CG 3.43Å
678F98.1Very high95.8Very high32 Ų3242.9 Ų42.914%0.1423%0.23CC..EExtended strand (participates in β ladder)trans-150.9163.7-178.471.6-89000112.3T549 L576 E577 V578 V672 L680T549-F678 HydrophobicContact CG2-CE2 3.47Å; T549-F678 VanDerWaalsContact CG2-CE2 3.47Å; T549-F678 HydrophobicContact CG2-CZ 3.72Å; L576-F678 HydrophobicContact CD1-CB 3.99Å; L576-F678 HydrophobicContact CD1-CD2 3.31Å; L576-F678 HydrophobicContact CD1-CE2 4Å; L576-F678 HydrophobicContact CD1-CG 3.9Å; E577-F678 CarbonylContact O-C 3.59Å; E577-F678 WeakPolarHBondContact O-CA 3.46Å; E577-F678 VanDerWaalsContact O-CB 3.25Å; E577-F678 WeakPolarHBondContact O-CB 3.49Å; V578-F678 HydrophobicContact CB-CB 4.23Å; V578-F678 HydrophobicContact CG1-CB 4.42Å; V578-F678 HydrophobicContact CG2-CB 3.68Å; V672-F678 HydrophobicContact CB-CE1 4.47Å; V672-F678 HydrophobicContact CB-CE2 3.61Å; V672-F678 HydrophobicContact CB-CZ 3.56Å; V672-F678 HydrophobicContact CG1-CD1 4.5Å; V672-F678 HydrophobicContact CG1-CD2 4.17Å; V672-F678 HydrophobicContact CG1-CE1 3.99Å; V672-F678 HydrophobicContact CG1-CE2 3.61Å; V672-F678 HydrophobicContact CG1-CZ 3.51Å; V672-F678 HydrophobicContact CG2-CE2 4.37Å; F678-L680 HydrophobicContact CD2-CB 4.37Å; F678-L680 HydrophobicContact CE2-CB 4.11Å
679T98Very high95.8Very high77 Ų7745.1 Ų45.147%0.47224%0.241SC..EExtended strand (participates in β ladder)trans-118.9141.8167.365.40000109.9L576 E577L576-T679 WeakPolarHBondContact CA-O 3.48Å; E577-T679 PolarHBondContact N-O 3.11Å; E577-T679 PolarHBondContact O-N 2.83Å
680L97.7Very high95.7Very high27 Ų2748.5 Ų48.514%0.14127%0.265CS..EExtended strand (participates in β ladder)trans-126.2125.1176.8178.669000108.4T549 V551 N575 L576 L655 V672 F678T549-L680 HydrophobicContact CG2-CB 4.03Å; T549-L680 HydrophobicContact CG2-CD2 4.19Å; V551-L680 HydrophobicContact CG2-CD2 4.06Å; N575-L680 WeakPolarHBondContact O-CA 3.43Å; L576-L680 HydrophobicContact CB-CD1 4.34Å; L655-L680 HydrophobicContact CD1-CD1 3.97Å; V672-L680 HydrophobicContact CG2-CD1 4.27Å; V672-L680 HydrophobicContact CG2-CD2 3.95Å; F678-L680 HydrophobicContact CD2-CB 4.37Å; F678-L680 HydrophobicContact CE2-CB 4.11Å
681S95.5Very high95.7Very high59 Ų5952 Ų5241%0.41328%0.28SS..EExtended strand (participates in β ladder)trans-143.8144.6178.7610000111.8Y574 N575Y574-S681 CarbonylContact C-O 3.31Å; Y574-S681 VanDerWaalsContact CA-O 3.22Å; Y574-S681 WeakPolarHBondContact CA-O 3.21Å; N575-S681 PolarHBondContact N-O 3.24Å; N575-S681 PolarHBondContact O-N 3.4Å
682K95.7Very high95.6Very high87 Ų8755.3 Ų55.338%0.37830%0.298SS..EExtended strand (participates in β ladder)trans-70.1130.2173.9-170.8175.9-170.5167.30109.5D553 Y574 K684D553-K682 IonicContact OD1-NZ 2.79Å; D553-K682 PolarHBondContact OD1-NZ 3.08Å; D553-K682 VanDerWaalsContact OD2-CD 3.28Å; D553-K682 WeakPolarHBondContact OD2-CD 3.15Å; D553-K682 WeakPolarHBondContact OD2-CE 3.35Å; D553-K682 IonicContact OD2-NZ 3.14Å; D553-K682 PolarHBondContact OD2-NZ 2.96Å; Y574-K682 HydrophobicContact CD1-CB 3.91Å; Y574-K682 HydrophobicContact CD1-CG 4.31Å; Y574-K682 HydrophobicContact CE1-CB 3.77Å; Y574-K682 HydrophobicContact CE1-CD 4.4Å; Y574-K682 HydrophobicContact CE1-CG 3.92Å; K682-K684 PolarHBondContact O-N 2.73Å
683I95.4Very high95.5Very high30 Ų3057 Ų5715%0.15431%0.306CS..  trans-73.3119.5172.8-57.6-178.8000107.7Q573 N575 R618 K619 I654Q573-I683 HydrophobicContact CB-CB 4.31Å; Q573-I683 HydrophobicContact CB-CD1 4.07Å; Q573-I683 HydrophobicContact CB-CG1 4.44Å; Q573-I683 PolarHBondContact O-N 3.15Å; N575-I683 HydrophobicContact CB-CD1 4.36Å; N575-I683 HydrophobicContact CB-CG1 4.05Å; R618-I683 HydrophobicContact CG-CG2 4.48Å; K619-I683 HydrophobicContact CB-CG2 4.1Å; I654-I683 HydrophobicContact CD1-CD1 3.82Å; I654-I683 HydrophobicContact CG1-CD1 4.03Å; I654-I683 HydrophobicContact CG2-CD1 4Å
684K89.8Confident95.4Very high161 Ų16161.2 Ų61.270%0.733%0.333SS*.  trans-109139.2177.4-63.8-176.7-179.6-176.30109.3K682 P686K682-K684 PolarHBondContact O-N 2.73Å; K684-P686 WeakPolarHBondContact O-CD 3.42Å
685D86.5Confident95.3Very high61 Ų6162.2 Ų62.233%0.32634%0.343SS..  trans-70.3124.2172-74.7-18.5000109K619 Y687K619-D685 WeakPolarHBondContact CE-OD1 3.39Å; K619-D685 VanDerWaalsContact NZ-CG 3.26Å; K619-D685 IonicContact NZ-OD1 3.77Å; K619-D685 PolarHBondContact NZ-OD1 3Å; K619-D685 IonicContact NZ-OD2 3.09Å; K619-D685 PolarHBondContact NZ-OD2 3.26Å; D685-Y687 PolarHBondContact O-N 3.08Å
686P88.6Confident95.3Very high53 Ų5364.6 Ų64.634%0.34435%0.351SS..  trans-79.6-12.5179.132.7-34.9000112.3R618 K684 T688 I808R618-P686 VanDerWaalsContact NH1-CD 3.27Å; K684-P686 WeakPolarHBondContact O-CD 3.42Å; P686-T688 PolarHBondContact O-N 3.01Å; P686-I808 HydrophobicContact CB-CG2 4.11Å; P686-I808 HydrophobicContact CG-CG2 4.34Å
687Y92.6Very high95.3Very high24 Ų2464.4 Ų64.49%0.09435%0.35CS..  trans-69.5112.8-176.2-54.7-66.3000110.9R618 D685 Q730 L732 E777 K806 I808R618-Y687 PolarHBondContact NH1-OH 2.98Å; D685-Y687 PolarHBondContact O-N 3.08Å; Y687-Q730 HydrophobicContact CE1-CB 4.09Å; Y687-L732 HydrophobicContact CD2-CB 4.18Å; Y687-L732 HydrophobicContact CD2-CD2 4.17Å; Y687-L732 HydrophobicContact CE1-CB 4.18Å; Y687-L732 HydrophobicContact CE2-CB 3.52Å; Y687-L732 HydrophobicContact CE2-CD2 3.76Å; Y687-L732 HydrophobicContact CE2-CG 4.13Å; Y687-E777 PolarHBondContact OH-OE1 2.91Å; Y687-K806 HydrophobicContact CD1-CB 4.2Å; Y687-K806 HydrophobicContact CD2-CB 4.04Å; Y687-K806 HydrophobicContact CD2-CD 4.4Å; Y687-K806 HydrophobicContact CG-CB 3.7Å; Y687-I808 HydrophobicContact CD1-CG2 4.01Å; Y687-I808 HydrophobicContact CE1-CG2 4.46Å
688T92.2Very high95.2Very high116 Ų11667 Ų6771%0.71236%0.355SS*.  trans-91.5-17.7179.551.80000112.4P686 S807P686-T688 PolarHBondContact O-N 3.01Å; T688-S807 PolarHBondContact N-O 2.89Å
689I96.1Very high95Very high49 Ų4967.6 Ų67.625%0.25137%0.37SS..EExtended strand (participates in β ladder)trans-120.3127-177.7-58.1174.5000108.6K806 S807 N810 F811I689-K806 CarbonylContact O-C 3.51Å; I689-K806 VanDerWaalsContact O-CA 3.23Å; I689-K806 WeakPolarHBondContact O-CA 3.34Å; I689-S807 PolarHBondContact N-O 2.92Å; I689-S807 PolarHBondContact O-N 2.87Å; I689-N810 HydrophobicContact CD1-CB 4.18Å; I689-F811 HydrophobicContact CB-CE1 4.47Å; I689-F811 HydrophobicContact CG2-CD1 4.18Å; I689-F811 HydrophobicContact CG2-CE1 3.79Å
690S95.9Very high94.8Very high71 Ų7169 Ų6950%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-133.7131.7177.4-179.80000109.8V805S690-V805 CarbonylContact C-O 3.58Å; S690-V805 WeakPolarHBondContact CA-O 3.33Å
691K97.8Very high94.8Very high75 Ų7569.8 Ų69.833%0.32639%0.387SS..EExtended strand (participates in β ladder)trans-124.1135.6172.9-65.7-174.1174.4-176.40109.1S804 V805 F811 I813K691-S804 WeakPolarHBondContact O-CA 3.41Å; K691-V805 PolarHBondContact N-O 2.86Å; K691-V805 PolarHBondContact O-N 2.9Å; K691-F811 HydrophobicContact CB-CE2 4.12Å; K691-F811 HydrophobicContact CB-CZ 3.84Å; K691-F811 HydrophobicContact CD-CD2 4.44Å; K691-F811 HydrophobicContact CD-CE2 3.88Å; K691-F811 HydrophobicContact CD-CZ 3.97Å; K691-F811 WeakPolarHBondContact CE-O 3.4Å; K691-F811 HydrophobicContact CG-CE1 4.48Å; K691-F811 HydrophobicContact CG-CE2 4.18Å; K691-F811 HydrophobicContact CG-CZ 3.81Å; K691-F811 PolarHBondContact NZ-O 3.44Å; K691-I813 HydrophobicContact CB-CG2 3.89Å; K691-I813 HydrophobicContact CD-CG2 3.89Å
692Q96.9Very high94.8Very high120 Ų12067.2 Ų67.256%0.56137%0.37SS*.EExtended strand (participates in β ladder)trans-121.3133.8-179.5-171.8176.8106.900109.9I802 L803Q692-I802 HydrophobicContact CG-CG2 3.43Å; Q692-I802 VanDerWaalsContact CG-CG2 3.43Å; Q692-L803 CarbonylContact C-O 3.57Å; Q692-L803 WeakPolarHBondContact CA-O 3.46Å
693I96.9Very high94.9Very high35 Ų3563.1 Ų63.118%0.17935%0.352CS..EExtended strand (participates in β ladder)trans-122.5136.4173.6-59.9179.8000107.9F718 L803 I813I693-F718 HydrophobicContact CB-CE1 4.49Å; I693-F718 HydrophobicContact CD1-CD1 3.81Å; I693-F718 HydrophobicContact CD1-CE1 4.13Å; I693-F718 HydrophobicContact CG2-CD1 4.47Å; I693-F718 HydrophobicContact CG2-CE1 3.75Å; I693-F718 HydrophobicContact CG2-CZ 4.36Å; I693-L803 PolarHBondContact N-O 2.82Å; I693-L803 PolarHBondContact O-N 3.31Å; I693-I813 HydrophobicContact CD1-CB 4.33Å; I693-I813 HydrophobicContact CD1-CD1 3.78Å; I693-I813 HydrophobicContact CD1-CG1 3.67Å; I693-I813 HydrophobicContact CD1-CG2 3.9Å; I693-I813 HydrophobicContact CG1-CG2 4.45Å
694T97Very high94.9Very high98 Ų9861.7 Ų61.760%0.60135%0.345SS*.EExtended strand (participates in β ladder)trans-102.8137.5169.3-54.30000108.5F801T694-F801 WeakPolarHBondContact CA-O 3.21Å; T694-F801 WeakPolarHBondContact CG2-O 3.24Å
695G96.3Very high95.2Very high21 Ų2154.3 Ų54.322%0.21631%0.313CS..EExtended strand (participates in β ladder)trans-146.3-174.5175.700000111.4P800 F801G695-P800 CarbonylContact O-C 3.58Å; G695-P800 WeakPolarHBondContact O-CA 3.4Å; G695-F801 VanDerWaalsContact C-CE1 3.41Å; G695-F801 PolarHBondContact N-O 2.62Å; G695-F801 PolarHBondContact O-N 3.3Å
696E97.3Very high95.5Very high97 Ų9755.2 Ų55.245%0.45332%0.317SS..EExtended strand (participates in β ladder)trans-141.8142.9176.159.2179.9-17500111.4K698 N701 G799 F801E696-K698 HydrophobicContact CG-CB 4.12Å; E696-K698 WeakPolarHBondContact OE1-CD 3.34Å; E696-K698 IonicContact OE1-NZ 2.85Å; E696-N701 PolarHBondContact O-ND2 2.87Å; E696-G799 WeakPolarHBondContact CA-O 3.38Å; E696-F801 VanDerWaalsContact N-CE1 3.28Å
697W97.8Very high95.7Very high1 Ų158.7 Ų58.70%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-82.8120157.8-61.2-78000107.1N701 A702 L735 L743 V790 T792 Q797 E798 G799 F801W697-N701 WeakPolarHBondContact CA-OD1 3.47Å; W697-A702 HydrophobicContact CB-CB 4.07Å; W697-L735 HydrophobicContact CH2-CD1 4.27Å; W697-L735 HydrophobicContact CH2-CD2 4.09Å; W697-L735 HydrophobicContact CH2-CG 4.42Å; W697-L735 HydrophobicContact CZ2-CD2 4.11Å; W697-L743 HydrophobicContact CH2-CD2 3.76Å; W697-L743 HydrophobicContact CZ3-CD2 3.98Å; W697-V790 HydrophobicContact CZ2-CB 4.02Å; W697-V790 HydrophobicContact CZ2-CG2 3.93Å; W697-V790 PolarHBondContact NE1-O 2.69Å; W697-T792 HydrophobicContact CD2-CG2 3.81Å; W697-T792 HydrophobicContact CE3-CG2 3.83Å; W697-T792 HydrophobicContact CG-CG2 4.32Å; W697-T792 HydrophobicContact CH2-CG2 4.36Å; W697-T792 HydrophobicContact CZ2-CG2 4.33Å; W697-T792 HydrophobicContact CZ3-CG2 4.09Å; W697-Q797 WeakPolarHBondContact CB-O 3.41Å; W697-E798 CarbonylContact O-C 3.52Å; W697-E798 WeakPolarHBondContact O-CA 3.22Å; W697-E798 WeakPolarHBondContact O-CB 3.46Å; W697-G799 PolarHBondContact N-O 3.04Å; W697-G799 PolarHBondContact O-N 3.08Å; W697-F801 AromaticContact CD2-CD1 3.78Å; W697-F801 HydrophobicContact CD2-CD1 3.78Å; W697-F801 HydrophobicContact CD2-CE1 4.28Å; W697-F801 AromaticContact CE2-CD1 3.87Å; W697-F801 HydrophobicContact CE3-CB 4.25Å; W697-F801 AromaticContact CE3-CD1 3.73Å; W697-F801 HydrophobicContact CE3-CD1 3.73Å; W697-F801 HydrophobicContact CE3-CG 4.43Å; W697-F801 HydrophobicContact CG-CD1 4.49Å; W697-F801 HydrophobicContact CH2-CB 3.55Å; W697-F801 AromaticContact CH2-CD1 3.87Å; W697-F801 HydrophobicContact CH2-CD1 3.87Å; W697-F801 AromaticContact CH2-CG 3.91Å; W697-F801 HydrophobicContact CH2-CG 3.91Å; W697-F801 HydrophobicContact CZ2-CB 4.35Å; W697-F801 AromaticContact CZ2-CD1 3.92Å; W697-F801 HydrophobicContact CZ2-CD1 3.92Å; W697-F801 HydrophobicContact CZ2-CG 4.23Å; W697-F801 HydrophobicContact CZ3-CB 3.51Å; W697-F801 AromaticContact CZ3-CD1 3.8Å; W697-F801 HydrophobicContact CZ3-CD1 3.8Å; W697-F801 HydrophobicContact CZ3-CG 4.05Å
698K96.3Very high95.8Very high114 Ų11459.9 Ų59.950%0.49634%0.341SS..  trans-157.4129-175.6-171.5174.6-175.8174.90111.2E696 S700 N701E696-K698 HydrophobicContact CG-CB 4.12Å; E696-K698 WeakPolarHBondContact OE1-CD 3.34Å; E696-K698 IonicContact OE1-NZ 2.85Å; K698-S700 PolarHBondContact O-N 3.42Å; K698-N701 PolarHBondContact N-OD1 3.33Å; K698-N701 PolarHBondContact O-N 2.93Å; K698-N701 PolarHBondContact O-OD1 2.76Å
699G95.1Very high95.8Very high44 Ų4463 Ų6345%0.45434%0.344SS..G310 helixtrans57.2-123.9179.900000111.8N701 A702 E798G699-N701 VanDerWaalsContact C-N 3.27Å; G699-N701 PolarHBondContact O-N 2.9Å; G699-A702 PolarHBondContact O-N 2.84Å; G699-E798 WeakPolarHBondContact CA-OE1 3.01Å; G699-E798 PolarHBondContact N-OE1 2.77Å
700S93.8Very high95.7Very high105 Ų10569.8 Ų69.873%0.73438%0.375SS*.G310 helixtrans-66.3-24.4-171.856.60000114.2K698 A702 T714K698-S700 PolarHBondContact O-N 3.42Å; S700-A702 VanDerWaalsContact C-N 3.34Å; S700-T714 WeakPolarHBondContact O-CB 3.45Å; S700-T714 PolarHBondContact O-OG1 2.88Å
701N96.6Very high95.7Very high44 Ų4468 Ų6824%0.23536%0.363CS..G310 helixtrans-87.2-0.3-179.879.90.4000113.7E696 W697 K698 G699 G703 T714 N715 P716E696-N701 PolarHBondContact O-ND2 2.87Å; W697-N701 WeakPolarHBondContact CA-OD1 3.47Å; K698-N701 PolarHBondContact N-OD1 3.33Å; K698-N701 PolarHBondContact O-N 2.93Å; K698-N701 PolarHBondContact O-OD1 2.76Å; G699-N701 VanDerWaalsContact C-N 3.27Å; G699-N701 PolarHBondContact O-N 2.9Å; N701-G703 PolarHBondContact O-N 2.87Å; N701-T714 WeakPolarHBondContact CA-O 3.33Å; N701-T714 WeakPolarHBondContact CB-O 3.49Å; N701-N715 WeakPolarHBondContact O-CA 3.34Å; N701-N715 PolarHBondContact O-OD1 2.71Å; N701-P716 HydrophobicContact CB-CG 4.47Å; N701-P716 WeakPolarHBondContact O-CD 3.33Å
702A96.8Very high95.5Very high6 Ų665.7 Ų65.75%0.0535%0.352CS..  trans-80.362.8171.400000110.2W697 G699 S700 G704 P795 G796 E798W697-A702 HydrophobicContact CB-CB 4.07Å; G699-A702 PolarHBondContact O-N 2.84Å; S700-A702 VanDerWaalsContact C-N 3.34Å; A702-G704 PolarHBondContact O-N 2.9Å; A702-P795 CarbonylContact O-C 3.56Å; A702-P795 WeakPolarHBondContact O-CA 3.22Å; A702-G796 PolarHBondContact O-N 2.82Å; A702-E798 HydrophobicContact CB-CG 4.37Å
703G96.7Very high95.3Very high1 Ų163.8 Ų63.81%0.0135%0.352CS..  trans-79-11.1-162.400000116.6N701 S711 Y712 N715N701-G703 PolarHBondContact O-N 2.87Å; G703-S711 VanDerWaalsContact CA-O 3.23Å; G703-S711 WeakPolarHBondContact CA-O 3.33Å; G703-S711 CarbonylContact O-C 3.58Å; G703-S711 VanDerWaalsContact O-C 3.31Å; G703-S711 VanDerWaalsContact O-CB 3.31Å; G703-S711 WeakPolarHBondContact O-CB 3.11Å; G703-S711 PolarHBondContact O-OG 2.71Å; G703-Y712 PolarHBondContact O-N 3.28Å; G703-N715 PolarHBondContact N-OD1 3.05Å
704G95.9Very high95.3Very high0 Ų064.9 Ų64.90%036%0.361CS..  trans78.6-166.6-177.800000113.3A702 Y712 N715 S791 T792A702-G704 PolarHBondContact O-N 2.9Å; G704-Y712 WeakPolarHBondContact O-CD2 3.37Å; G704-N715 PolarHBondContact O-ND2 2.97Å; G704-S791 WeakPolarHBondContact O-CB 3.37Å; G704-T792 CarbonylContact C-O 3.52Å; G704-T792 WeakPolarHBondContact CA-O 3.44Å
705C96Very high95.4Very high5 Ų560.5 Ų60.53%0.03433%0.334CS..  trans-85.5175.5-174.174.50000112.1N707 D708 Y712 Y769 T792 Y793C705-N707 PolarHBondContact O-N 2.92Å; C705-D708 PolarHBondContact N-OD2 2.78Å; C705-D708 WeakPolarHBondContact O-CA 3.36Å; C705-D708 WeakPolarHBondContact O-CB 3.2Å; C705-D708 PolarHBondContact O-N 2.96Å; C705-D708 PolarHBondContact SG-OD2 3.48Å; C705-Y712 WeakPolarHBondContact O-CD2 3.39Å; C705-Y769 WeakPolarHBondContact CA-OH 3.2Å; C705-Y769 HydrophobicContact CB-CE1 3.89Å; C705-Y769 HydrophobicContact CB-CE2 3.98Å; C705-Y769 VanDerWaalsContact CB-CZ 3.44Å; C705-Y769 VanDerWaalsContact CB-OH 3.26Å; C705-Y769 WeakPolarHBondContact CB-OH 3.33Å; C705-T792 PolarHBondContact N-O 2.87Å; C705-Y793 HydrophobicContact CB-CD2 4.41Å
706I92.3Very high95.5Very high81 Ų8160.4 Ų60.442%0.41533%0.329SS..THydrogen-bonded Turntrans-60.3-19.9-178.9-162.8165.5000114.1D708 Y712I706-D708 VanDerWaalsContact C-N 3.3Å; I706-Y712 HydrophobicContact CB-CD2 4.3Å; I706-Y712 HydrophobicContact CB-CE1 4.39Å; I706-Y712 HydrophobicContact CB-CE2 4.16Å; I706-Y712 HydrophobicContact CB-CG 4.48Å; I706-Y712 HydrophobicContact CD1-CE1 4.39Å; I706-Y712 HydrophobicContact CG1-CD1 4.21Å; I706-Y712 HydrophobicContact CG1-CE1 4.08Å
707N93.7Very high95.5Very high126 Ų12659.7 Ų59.767%0.67432%0.322SS*.THydrogen-bonded Turntrans-75.9-21175-63.2-35.8000112.3C705 K709C705-N707 PolarHBondContact O-N 2.92Å; N707-K709 PolarHBondContact O-N 2.79Å
708D95Very high95.5Very high48 Ų4860.1 Ų60.126%0.25732%0.324SS..  trans-82.662.9174.1-56.4-65000109.9C705 I706 E710 S711 Y712C705-D708 PolarHBondContact N-OD2 2.78Å; C705-D708 WeakPolarHBondContact O-CA 3.36Å; C705-D708 WeakPolarHBondContact O-CB 3.2Å; C705-D708 PolarHBondContact O-N 2.96Å; C705-D708 PolarHBondContact SG-OD2 3.48Å; I706-D708 VanDerWaalsContact C-N 3.3Å; D708-E710 PolarHBondContact O-N 3.31Å; D708-S711 PolarHBondContact O-N 3.04Å; D708-Y712 WeakPolarHBondContact O-CB 3.43Å; D708-Y712 PolarHBondContact O-N 2.8Å
709K92.6Very high95.6Very high181 Ų18157.9 Ų57.979%0.78732%0.315SS*.THydrogen-bonded Turntrans-53.1-29.9-167.3-65.4-179.6-177.8176.30115.1N707N707-K709 PolarHBondContact O-N 2.79Å
710E92.7Very high95.8Very high192 Ų19255.8 Ų55.890%0.89729%0.294SS*.THydrogen-bonded Turntrans-74.9-31.5-177.3-63.3179.3178.300112.6D708D708-E710 PolarHBondContact O-N 3.31Å
711S95.3Very high96Very high34 Ų3453.1 Ų53.124%0.23827%0.272CS..THydrogen-bonded Turntrans-117.3-14.5-173.753.90000113.6G703 D708 S713 T714G703-S711 VanDerWaalsContact CA-O 3.23Å; G703-S711 WeakPolarHBondContact CA-O 3.33Å; G703-S711 CarbonylContact O-C 3.58Å; G703-S711 VanDerWaalsContact O-C 3.31Å; G703-S711 VanDerWaalsContact O-CB 3.31Å; G703-S711 WeakPolarHBondContact O-CB 3.11Å; G703-S711 PolarHBondContact O-OG 2.71Å; D708-S711 PolarHBondContact O-N 3.04Å; S711-S713 PolarHBondContact O-N 2.8Å; S711-S713 VanDerWaalsContact O-N 3.09Å; S711-T714 PolarHBondContact O-N 3.22Å; S711-T714 PolarHBondContact O-OG1 2.82Å
712Y95.3Very high96Very high26 Ų2651 Ų5110%0.10226%0.26CS..G310 helixtrans-53.9-37.4-178.1179.6-109.9000113.6G703 G704 C705 I706 D708 T714 N715 E746 I789G703-Y712 PolarHBondContact O-N 3.28Å; G704-Y712 WeakPolarHBondContact O-CD2 3.37Å; C705-Y712 WeakPolarHBondContact O-CD2 3.39Å; I706-Y712 HydrophobicContact CB-CD2 4.3Å; I706-Y712 HydrophobicContact CB-CE1 4.39Å; I706-Y712 HydrophobicContact CB-CE2 4.16Å; I706-Y712 HydrophobicContact CB-CG 4.48Å; I706-Y712 HydrophobicContact CD1-CE1 4.39Å; I706-Y712 HydrophobicContact CG1-CD1 4.21Å; I706-Y712 HydrophobicContact CG1-CE1 4.08Å; D708-Y712 WeakPolarHBondContact O-CB 3.43Å; D708-Y712 PolarHBondContact O-N 2.8Å; Y712-T714 PolarHBondContact O-N 2.86Å; Y712-N715 WeakPolarHBondContact CD2-ND2 3.48Å; Y712-N715 WeakPolarHBondContact O-CB 3.39Å; Y712-N715 PolarHBondContact O-N 3.42Å; Y712-N715 PolarHBondContact O-ND2 2.79Å; Y712-E746 WeakPolarHBondContact CE1-OE2 3.39Å; Y712-E746 WeakPolarHBondContact OH-CB 3.37Å; Y712-E746 PolarHBondContact OH-OE2 3.04Å; Y712-I789 HydrophobicContact CE1-CD1 4.04Å; Y712-I789 HydrophobicContact CE2-CG2 4.26Å
713S93Very high95.9Very high80 Ų8054.6 Ų54.656%0.55928%0.283SS*.G310 helixtrans-65.9-16-178.958.10000114S711S711-S713 PolarHBondContact O-N 2.8Å; S711-S713 VanDerWaalsContact O-N 3.09Å
714T96.1Very high95.9Very high59 Ų5956 Ų5636%0.36229%0.29SS..G310 helixtrans-88.5-10.5179.6720000113.2S700 N701 S711 Y712S700-T714 WeakPolarHBondContact O-CB 3.45Å; S700-T714 PolarHBondContact O-OG1 2.88Å; N701-T714 WeakPolarHBondContact CA-O 3.33Å; N701-T714 WeakPolarHBondContact CB-O 3.49Å; S711-T714 PolarHBondContact O-N 3.22Å; S711-T714 PolarHBondContact O-OG1 2.82Å; Y712-T714 PolarHBondContact O-N 2.86Å
715N98.2Very high95.8Very high6 Ų660.9 Ų60.93%0.03232%0.316CS..SBendtrans-56.4148.6178.2-79.6-66.7000112.3N701 G703 G704 Y712 R717 I789 V790N701-N715 WeakPolarHBondContact O-CA 3.34Å; N701-N715 PolarHBondContact O-OD1 2.71Å; G703-N715 PolarHBondContact N-OD1 3.05Å; G704-N715 PolarHBondContact O-ND2 2.97Å; Y712-N715 WeakPolarHBondContact CD2-ND2 3.48Å; Y712-N715 WeakPolarHBondContact O-CB 3.39Å; Y712-N715 PolarHBondContact O-N 3.42Å; Y712-N715 PolarHBondContact O-ND2 2.79Å; N715-R717 PolarHBondContact O-N 3.22Å; N715-I789 HydrophobicContact CB-CG2 3.65Å; N715-V790 WeakPolarHBondContact CB-O 3.39Å
716P98.2Very high95.7Very high18 Ų1863.9 Ų63.912%0.11733%0.332CS..  trans-56.8134178-16.325.8000111.3N701 F718 V790 F801N701-P716 HydrophobicContact CB-CG 4.47Å; N701-P716 WeakPolarHBondContact O-CD 3.33Å; P716-F718 HydrophobicContact CB-CE2 4.13Å; P716-F718 HydrophobicContact CB-CZ 4.36Å; P716-V790 HydrophobicContact CB-CG2 3.79Å; P716-V790 HydrophobicContact CG-CG2 3.94Å; P716-V790 PolarHBondContact O-N 2.89Å; P716-V790 VanDerWaalsContact O-N 3.14Å; P716-F801 HydrophobicContact CB-CE1 4.32Å; P716-F801 HydrophobicContact CB-CZ 4Å; P716-F801 HydrophobicContact CG-CE1 3.89Å; P716-F801 HydrophobicContact CG-CZ 4.09Å
717R97.6Very high95.6Very high83 Ų8362.6 Ų62.631%0.31333%0.33SS..EExtended strand (participates in β ladder)trans-126.3145.3-176.9-169.5-177.2-68.4-176.71.6110.7N715 N787 V788 I789 P815 I816N715-R717 PolarHBondContact O-N 3.22Å; R717-N787 HydrophobicContact CG-CB 4.23Å; R717-V788 CarbonylContact C-O 3.56Å; R717-V788 VanDerWaalsContact CA-O 3.29Å; R717-V788 WeakPolarHBondContact CA-O 3.48Å; R717-I789 HydrophobicContact CG-CG1 4.04Å; R717-P815 WeakPolarHBondContact O-CA 3.48Å; R717-I816 HydrophobicContact CB-CD1 4.4Å; R717-I816 HydrophobicContact CB-CG1 3.86Å; R717-I816 HydrophobicContact CG-CD1 3.67Å; R717-I816 HydrophobicContact CG-CG1 3.64Å; R717-I816 PolarHBondContact O-N 2.81Å
718F98.3Very high95.5Very high10 Ų1059.8 Ų59.84%0.04432%0.315CS..EExtended strand (participates in β ladder)trans-132.9131.9179.8-54.9-89.1000109.6I693 P716 N787 V788 V790 F801 L803 I813 T814 P815I693-F718 HydrophobicContact CB-CE1 4.49Å; I693-F718 HydrophobicContact CD1-CD1 3.81Å; I693-F718 HydrophobicContact CD1-CE1 4.13Å; I693-F718 HydrophobicContact CG2-CD1 4.47Å; I693-F718 HydrophobicContact CG2-CE1 3.75Å; I693-F718 HydrophobicContact CG2-CZ 4.36Å; P716-F718 HydrophobicContact CB-CE2 4.13Å; P716-F718 HydrophobicContact CB-CZ 4.36Å; F718-N787 CarbonylContact O-C 3.56Å; F718-N787 WeakPolarHBondContact O-CA 3.25Å; F718-V788 PolarHBondContact N-O 2.91Å; F718-V788 PolarHBondContact O-N 2.92Å; F718-V790 HydrophobicContact CD2-CG1 4.28Å; F718-V790 HydrophobicContact CE2-CG1 4Å; F718-V790 HydrophobicContact CE2-CG2 4.05Å; F718-F801 HydrophobicContact CE2-CE2 4.02Å; F718-F801 HydrophobicContact CE2-CZ 4.1Å; F718-F801 AromaticContact CZ-CE2 3.82Å; F718-F801 HydrophobicContact CZ-CE2 3.82Å; F718-F801 AromaticContact CZ-CZ 3.85Å; F718-F801 HydrophobicContact CZ-CZ 3.85Å; F718-L803 HydrophobicContact CB-CD2 4.37Å; F718-L803 HydrophobicContact CD1-CD2 4.42Å; F718-L803 HydrophobicContact CD2-CD2 3.47Å; F718-L803 VanDerWaalsContact CD2-CD2 3.47Å; F718-L803 HydrophobicContact CE2-CD2 3.8Å; F718-L803 HydrophobicContact CG-CD2 3.82Å; F718-L803 HydrophobicContact CZ-CD2 4.41Å; F718-I813 HydrophobicContact CB-CD1 3.99Å; F718-I813 HydrophobicContact CB-CG1 3.99Å; F718-I813 HydrophobicContact CG-CD1 4.49Å; F718-T814 CarbonylContact C-O 3.51Å; F718-T814 VanDerWaalsContact CA-O 3.28Å; F718-T814 WeakPolarHBondContact CA-O 3.43Å; F718-P815 HydrophobicContact CD1-CB 3.94Å; F718-P815 HydrophobicContact CE1-CB 3.91Å
719E98.5Very high95.5Very high66 Ų6657.6 Ų57.631%0.30830%0.303SS..EExtended strand (participates in β ladder)trans-88.6123.8171.7-173.1178.19500109.4V785 Y786 I813 T814 I816E719-V785 VanDerWaalsContact CD-CG1 3.47Å; E719-V785 HydrophobicContact CG-CG1 3.38Å; E719-Y786 CarbonylContact C-O 3.45Å; E719-Y786 WeakPolarHBondContact CA-O 3.35Å; E719-I813 CarbonylContact O-C 3.54Å; E719-I813 WeakPolarHBondContact O-CA 3.48Å; E719-T814 PolarHBondContact N-O 2.8Å; E719-T814 PolarHBondContact O-N 2.8Å; E719-I816 HydrophobicContact CB-CD1 4.26Å; E719-I816 HydrophobicContact CB-CG2 3.83Å
720I98.4Very high95.6Very high0 Ų050.3 Ų50.30%027%0.272CS..EExtended strand (participates in β ladder)trans-102.8117.4169.8-62175.2000107.7V722 L731 I733 V785 Y786 V788 V805 F811 S812 I813I720-V722 HydrophobicContact CG2-CG2 4.08Å; I720-L731 HydrophobicContact CD1-CD1 4.42Å; I720-L731 HydrophobicContact CG2-CD1 4.17Å; I720-I733 HydrophobicContact CD1-CD1 4.29Å; I720-V785 CarbonylContact O-C 3.58Å; I720-V785 WeakPolarHBondContact O-CA 3.22Å; I720-Y786 PolarHBondContact N-O 3.11Å; I720-Y786 PolarHBondContact O-N 2.88Å; I720-V788 HydrophobicContact CD1-CG2 3.41Å; I720-V788 VanDerWaalsContact CD1-CG2 3.41Å; I720-V788 HydrophobicContact CG1-CG2 4.16Å; I720-V805 HydrophobicContact CD1-CG1 3.94Å; I720-V805 HydrophobicContact CD1-CG2 4.04Å; I720-F811 HydrophobicContact CG2-CB 4.41Å; I720-F811 HydrophobicContact CG2-CD2 3.96Å; I720-S812 CarbonylContact C-O 3.5Å; I720-S812 VanDerWaalsContact CA-O 3.28Å; I720-S812 WeakPolarHBondContact CA-O 3.36Å; I720-I813 HydrophobicContact CD1-CD1 4.48Å; I720-I813 HydrophobicContact CG1-CB 4.33Å; I720-I813 HydrophobicContact CG1-CD1 4.02Å; I720-I813 HydrophobicContact CG1-CG1 4.06Å
721N98.1Very high95.7Very high50 Ų5041.2 Ų41.227%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-105.2123.3171.6178.314.1000109.4P723 F811 S812N721-P723 VanDerWaalsContact O-CD 3.26Å; N721-P723 WeakPolarHBondContact O-CD 3.24Å; N721-F811 CarbonylContact O-C 3.6Å; N721-F811 WeakPolarHBondContact O-CA 3.49Å; N721-F811 WeakPolarHBondContact O-CB 3.45Å; N721-S812 PolarHBondContact N-O 2.86Å; N721-S812 PolarHBondContact O-N 3.32Å
722V97.1Very high95.7Very high0 Ų039.6 Ų39.60%022%0.218CC..EExtended strand (participates in β ladder)trans-106.389.4174.8-176.40000107.6I720 N724 N729 G783 G784 Y786 F811I720-V722 HydrophobicContact CG2-CG2 4.08Å; V722-N724 WeakPolarHBondContact CG1-ND2 3.44Å; V722-N724 PolarHBondContact O-N 3.22Å; V722-N729 HydrophobicContact CG1-CB 4.23Å; V722-N729 WeakPolarHBondContact CG1-OD1 3.42Å; V722-G783 CarbonylContact O-C 3.56Å; V722-G783 WeakPolarHBondContact O-CA 3.46Å; V722-G784 PolarHBondContact N-O 2.81Å; V722-G784 PolarHBondContact O-N 2.71Å; V722-Y786 HydrophobicContact CG2-CD2 4.41Å; V722-Y786 HydrophobicContact CG2-CE2 4.38Å; V722-F811 HydrophobicContact CG2-CB 4.17Å
723P96Very high95.8Very high80 Ų8038.4 Ų38.452%0.51921%0.213SC..  trans-84.358.2-165.436.3-39.4000112.3N721N721-P723 VanDerWaalsContact O-CD 3.26Å; N721-P723 WeakPolarHBondContact O-CD 3.24Å
724N95.6Very high96Very high32 Ų3234.6 Ų34.617%0.17119%0.186CC..SBendtrans-136.8175.7173.266.756.5000110.5V722 D726 N729 T753 G783V722-N724 WeakPolarHBondContact CG1-ND2 3.44Å; V722-N724 PolarHBondContact O-N 3.22Å; N724-D726 WeakPolarHBondContact OD1-CB 3.44Å; N724-D726 PolarHBondContact OD1-N 2.96Å; N724-N729 PolarHBondContact ND2-OD1 3.05Å; N724-N729 PolarHBondContact OD1-ND2 2.84Å; N724-N729 VanDerWaalsContact OD1-ND2 3.11Å; N724-N729 PolarHBondContact OD1-OD1 3.29Å; N724-T753 WeakPolarHBondContact O-CB 3.28Å; N724-T753 PolarHBondContact O-OG1 3.18Å; N724-G783 WeakPolarHBondContact O-CA 3.32Å
725N94.8Very high96Very high101 Ų10131.8 Ų31.854%0.5417%0.169SC..  trans-110.920.5175.5-162.139.9000112.4T753 N754N725-T753 WeakPolarHBondContact OD1-CB 3.46Å; N725-T753 PolarHBondContact OD1-O 3.25Å; N725-N754 PolarHBondContact O-ND2 3.46Å
726D93.5Very high95.9Very high68 Ų6835.2 Ų35.236%0.36418%0.182SC..  trans-76148.4-179.4-64.4-57.3000110.9N724 N729 G783 R809N724-D726 WeakPolarHBondContact OD1-CB 3.44Å; N724-D726 PolarHBondContact OD1-N 2.96Å; D726-N729 PolarHBondContact O-ND2 2.79Å; D726-G783 PolarHBondContact O-N 3.05Å; D726-R809 VanDerWaalsContact CB-CZ 3.47Å; D726-R809 VanDerWaalsContact CB-NH1 3.3Å; D726-R809 WeakPolarHBondContact OD2-CD 3.3Å; D726-R809 IonicContact OD2-CZ 3.88Å; D726-R809 IonicContact OD2-NE 3.28Å; D726-R809 PolarHBondContact OD2-NE 2.88Å; D726-R809 IonicContact OD2-NH1 2.66Å
727C90.5Very high95.7Very high55 Ų5535.4 Ų35.437%0.37219%0.187SC..SBendtrans-92.8-8.1-179.556.80000114.1A757 P758 G780 L781C727-A757 HydrophobicContact CB-CB 4.5Å; C727-A757 WeakPolarHBondContact O-CA 3.46Å; C727-P758 WeakPolarHBondContact O-CD 3.19Å; C727-G780 CarbonylContact O-C 3.44Å; C727-L781 CarbonylContact C-O 3.57Å
728D90.9Very high95.5Very high67 Ų6733 Ų3336%0.35818%0.182SC..  trans-12966.5-179.3-179.229.1000111.7G780 R809D728-G780 VanDerWaalsContact OD1-CA 3.32Å; D728-G780 WeakPolarHBondContact OD1-CA 3.35Å; D728-G780 PolarHBondContact OD1-N 2.86Å; D728-R809 PolarHBondContact O-NH1 3.19Å; D728-R809 PolarHBondContact O-NH2 2.82Å
729N94.5Very high95Very high1 Ų139.7 Ų39.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-84.1151.2169.9-64.6-79000110.4V722 N724 D726 A779 G780 L781 G783 R809V722-N729 HydrophobicContact CG1-CB 4.23Å; V722-N729 WeakPolarHBondContact CG1-OD1 3.42Å; N724-N729 PolarHBondContact ND2-OD1 3.05Å; N724-N729 PolarHBondContact OD1-ND2 2.84Å; N724-N729 VanDerWaalsContact OD1-ND2 3.11Å; N724-N729 PolarHBondContact OD1-OD1 3.29Å; D726-N729 PolarHBondContact O-ND2 2.79Å; N729-A779 CarbonylContact O-C 3.59Å; N729-G780 PolarHBondContact O-N 2.76Å; N729-L781 HydrophobicContact CB-CB 4.08Å; N729-L781 VanDerWaalsContact CB-O 3.25Å; N729-L781 WeakPolarHBondContact CB-O 3.41Å; N729-L781 PolarHBondContact N-O 2.82Å; N729-L781 PolarHBondContact ND2-O 2.85Å; N729-L781 VanDerWaalsContact ND2-O 3.07Å; N729-L781 WeakPolarHBondContact O-CB 3.25Å; N729-L781 PolarHBondContact O-N 2.79Å; N729-G783 PolarHBondContact ND2-N 2.86Å; N729-G783 VanDerWaalsContact ND2-N 3.15Å; N729-R809 VanDerWaalsContact CG-NH1 3.31Å; N729-R809 WeakPolarHBondContact OD1-CD 3.49Å; N729-R809 PolarHBondContact OD1-NH1 3.18Å
730Q94.6Very high94.7Very high29 Ų2942.6 Ų42.614%0.13623%0.225CC..EExtended strand (participates in β ladder)trans-131.3130.8-179.4-54.4-177.16.800110.3Y687 Q778 A779 S807 I808Y687-Q730 HydrophobicContact CE1-CB 4.09Å; Q730-Q778 CarbonylContact C-O 3.55Å; Q730-Q778 VanDerWaalsContact CA-O 3.25Å; Q730-Q778 WeakPolarHBondContact CA-O 3.42Å; Q730-A779 HydrophobicContact CG-CB 3.93Å; Q730-S807 WeakPolarHBondContact O-CA 3.49Å; Q730-S807 PolarHBondContact O-OG 3.23Å; Q730-I808 HydrophobicContact CB-CD1 4.36Å; Q730-I808 HydrophobicContact CB-CG1 4.26Å; Q730-I808 HydrophobicContact CG-CD1 4.01Å; Q730-I808 HydrophobicContact CG-CG1 4.45Å
731L95.4Very high94.5Very high1 Ų145.2 Ų45.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-122.9132.4176.1-65.1177.8000109.4I720 Q778 L781 V805 K806I720-L731 HydrophobicContact CD1-CD1 4.42Å; I720-L731 HydrophobicContact CG2-CD1 4.17Å; L731-Q778 PolarHBondContact N-O 3.14Å; L731-Q778 PolarHBondContact O-N 3.08Å; L731-L781 HydrophobicContact CB-CD1 4.21Å; L731-L781 HydrophobicContact CD1-CD1 3.79Å; L731-L781 HydrophobicContact CG-CD1 3.93Å; L731-V805 HydrophobicContact CD2-CG1 4.19Å; L731-K806 WeakPolarHBondContact CA-O 3.38Å
732L96Very high94.4Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-113.6118.4164.2-174.275000108.5Y621 Y687 E734 V775 E777 V805 K806Y621-L732 HydrophobicContact CE1-CD1 3.93Å; Y621-L732 HydrophobicContact CE1-CD2 4.11Å; Y621-L732 WeakPolarHBondContact OH-CD1 3.15Å; Y687-L732 HydrophobicContact CD2-CB 4.18Å; Y687-L732 HydrophobicContact CD2-CD2 4.17Å; Y687-L732 HydrophobicContact CE1-CB 4.18Å; Y687-L732 HydrophobicContact CE2-CB 3.52Å; Y687-L732 HydrophobicContact CE2-CD2 3.76Å; Y687-L732 HydrophobicContact CE2-CG 4.13Å; L732-E734 HydrophobicContact CD2-CG 4.24Å; L732-E734 HydrophobicContact CG-CG 4.27Å; L732-V775 HydrophobicContact CD1-CG2 3.39Å; L732-V775 HydrophobicContact CG-CG2 3.98Å; L732-E777 HydrophobicContact CD1-CB 3.65Å; L732-E777 HydrophobicContact CD1-CG 3.92Å; L732-V805 CarbonylContact O-C 3.54Å; L732-V805 WeakPolarHBondContact O-CA 3.49Å; L732-K806 HydrophobicContact CB-CB 4.24Å; L732-K806 HydrophobicContact CD2-CD 4.22Å; L732-K806 PolarHBondContact N-O 3.24Å; L732-K806 PolarHBondContact O-N 3.12Å
733I97.6Very high94.4Very high0 Ų043.8 Ų43.80%023%0.231CC..EExtended strand (participates in β ladder)trans-114114.2-178.2-53.8165.5000107.5I720 L745 L747 V775 L776 V788 L803 S804 V805I720-I733 HydrophobicContact CD1-CD1 4.29Å; I733-L745 HydrophobicContact CB-CD1 4.19Å; I733-L745 HydrophobicContact CG2-CD1 3.66Å; I733-L745 HydrophobicContact CG2-CD2 4.15Å; I733-L745 WeakPolarHBondContact O-CD1 3.31Å; I733-L747 HydrophobicContact CD1-CD1 3.85Å; I733-L747 HydrophobicContact CD1-CD2 4.3Å; I733-L747 HydrophobicContact CD1-CG 4.47Å; I733-V775 CarbonylContact O-C 3.54Å; I733-V775 VanDerWaalsContact O-CA 3.28Å; I733-V775 WeakPolarHBondContact O-CA 3.29Å; I733-L776 HydrophobicContact CB-CB 4.38Å; I733-L776 HydrophobicContact CD1-CD2 4.49Å; I733-L776 PolarHBondContact N-O 2.9Å; I733-L776 PolarHBondContact O-N 2.8Å; I733-V788 HydrophobicContact CD1-CG2 3.73Å; I733-V788 HydrophobicContact CG2-CG1 4.24Å; I733-L803 HydrophobicContact CG2-CD1 3.54Å; I733-S804 CarbonylContact C-O 3.53Å; I733-S804 WeakPolarHBondContact CA-O 3.5Å; I733-V805 HydrophobicContact CG1-CG1 4.35Å; I733-V805 HydrophobicContact CG1-CG2 4.3Å; I733-V805 HydrophobicContact CG2-CG2 4.26Å
734E96Very high94.5Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-111.1130.4178.3-62.6-179.268.400109.7L732 R736 Y773 V775 L803 S804 K806L732-E734 HydrophobicContact CD2-CG 4.24Å; L732-E734 HydrophobicContact CG-CG 4.27Å; E734-R736 IonicContact OE1-CZ 3.69Å; E734-R736 IonicContact OE1-NH1 3.89Å; E734-R736 IonicContact OE1-NH2 2.78Å; E734-R736 PolarHBondContact OE1-NH2 3.24Å; E734-Y773 HydrophobicContact CB-CE2 4.14Å; E734-Y773 HydrophobicContact CG-CE2 4.36Å; E734-Y773 WeakPolarHBondContact OE1-CE2 3.44Å; E734-Y773 PolarHBondContact OE1-OH 3.24Å; E734-V775 HydrophobicContact CG-CB 4.32Å; E734-V775 HydrophobicContact CG-CG2 3.82Å; E734-L803 WeakPolarHBondContact O-CA 3.43Å; E734-S804 PolarHBondContact N-O 2.84Å; E734-S804 PolarHBondContact O-N 3.42Å; E734-K806 WeakPolarHBondContact OE2-CE 3.42Å; E734-K806 IonicContact OE2-NZ 3.86Å; E734-K806 PolarHBondContact OE2-NZ 2.63Å
735L97.1Very high94.6Very high0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-117.8124.5175.3-179.965.6000109.5W697 L743 L745 Y773 V774 V790 F801 I802 L803W697-L735 HydrophobicContact CH2-CD1 4.27Å; W697-L735 HydrophobicContact CH2-CD2 4.09Å; W697-L735 HydrophobicContact CH2-CG 4.42Å; W697-L735 HydrophobicContact CZ2-CD2 4.11Å; L735-L743 HydrophobicContact CD2-CB 4.06Å; L735-L743 HydrophobicContact CD2-CD1 4.47Å; L735-L743 HydrophobicContact CG-CD1 4.26Å; L735-L745 HydrophobicContact CB-CD1 3.97Å; L735-L745 HydrophobicContact CB-CD2 3.99Å; L735-L745 HydrophobicContact CB-CG 4.03Å; L735-L745 HydrophobicContact CD2-CD2 3.91Å; L735-L745 HydrophobicContact CD2-CG 4.15Å; L735-L745 HydrophobicContact CG-CD2 4.46Å; L735-Y773 WeakPolarHBondContact O-CA 3.48Å; L735-V774 HydrophobicContact CB-CG2 3.79Å; L735-V774 HydrophobicContact CD2-CG2 4.11Å; L735-V774 HydrophobicContact CG-CG2 4.42Å; L735-V774 PolarHBondContact N-O 2.8Å; L735-V774 PolarHBondContact O-N 2.52Å; L735-V790 HydrophobicContact CD1-CB 4.15Å; L735-V790 HydrophobicContact CD1-CG1 4.05Å; L735-V790 HydrophobicContact CD2-CB 3.95Å; L735-V790 HydrophobicContact CD2-CG1 4.33Å; L735-F801 HydrophobicContact CD1-CB 3.87Å; L735-F801 HydrophobicContact CD1-CD2 3.8Å; L735-F801 HydrophobicContact CD1-CG 4.05Å; L735-I802 WeakPolarHBondContact CA-O 3.19Å; L735-L803 HydrophobicContact CD1-CD1 4.46Å
736R94.8Very high94.7Very high78 Ų7834.2 Ų34.229%0.29417%0.174SC..EExtended strand (participates in β ladder)trans-114.8138173.7-68.1174.6-178.192.17.8109.4E734 G772 Y773 F801 I802E734-R736 IonicContact OE1-CZ 3.69Å; E734-R736 IonicContact OE1-NH1 3.89Å; E734-R736 IonicContact OE1-NH2 2.78Å; E734-R736 PolarHBondContact OE1-NH2 3.24Å; R736-G772 WeakPolarHBondContact CA-O 3.47Å; R736-Y773 HydrophobicContact CG-CD2 3.71Å; R736-Y773 HydrophobicContact CG-CE2 4.25Å; R736-F801 CarbonylContact O-C 3.49Å; R736-F801 WeakPolarHBondContact O-CA 3.33Å; R736-F801 WeakPolarHBondContact O-CB 3.47Å; R736-I802 HydrophobicContact CB-CB 4.36Å; R736-I802 PolarHBondContact N-O 2.64Å; R736-I802 PolarHBondContact O-N 2.96Å
737G94.5Very high94.9Very high23 Ų2331.2 Ų31.224%0.23716%0.158CC..  trans-156.5-168.8179.800000112.3G772G737-G772 PolarHBondContact N-O 3.09Å; G737-G772 WeakPolarHBondContact O-CA 3.41Å
738P93.7Very high95.2Very high32 Ų3229.7 Ų29.721%0.20815%0.146CC..  trans-60.8138.5-179.9-23.236.5000111.3D740 Y741 P800P738-D740 PolarHBondContact O-N 3.23Å; P738-Y741 HydrophobicContact CB-CD2 3.75Å; P738-Y741 HydrophobicContact CB-CE2 3.95Å; P738-Y741 HydrophobicContact CB-CG 4.24Å; P738-Y741 HydrophobicContact CG-CD2 3.66Å; P738-Y741 HydrophobicContact CG-CE2 3.71Å; P738-Y741 PolarHBondContact O-N 3.41Å; P738-Y741 VanDerWaalsContact O-N 3.15Å; P738-P800 WeakPolarHBondContact CD-O 3.36Å
739R88.6Confident95.5Very high150 Ų15028.1 Ų28.157%0.56614%0.135SC*.THydrogen-bonded Turntrans-67.7-19.1-177.5-66.4-179-177.8167.40.8113.4Y741 R771R739-Y741 VanDerWaalsContact C-N 3.27Å; R739-R771 WeakPolarHBondContact O-CB 3.35Å; R739-R771 WeakPolarHBondContact O-CD 3.5Å
740D91.4Very high95.6Very high128 Ų12832.6 Ų32.668%0.68416%0.159SC*.THydrogen-bonded Turntrans-78.7-14.5177.9-58.9-45.4000112.4P738P738-D740 PolarHBondContact O-N 3.23Å
741Y94.4Very high95.7Very high55 Ų5533.6 Ų33.622%0.21617%0.169CC..SBendtrans-106.7135.7-178.1-53.7-22.1000111.1P738 R739 R771 G772 T792 Q797 E798P738-Y741 HydrophobicContact CB-CD2 3.75Å; P738-Y741 HydrophobicContact CB-CE2 3.95Å; P738-Y741 HydrophobicContact CB-CG 4.24Å; P738-Y741 HydrophobicContact CG-CD2 3.66Å; P738-Y741 HydrophobicContact CG-CE2 3.71Å; P738-Y741 PolarHBondContact O-N 3.41Å; P738-Y741 VanDerWaalsContact O-N 3.15Å; R739-Y741 VanDerWaalsContact C-N 3.27Å; Y741-R771 VanDerWaalsContact O-CA 3.27Å; Y741-R771 WeakPolarHBondContact O-CA 3.44Å; Y741-G772 PolarHBondContact O-N 3.2Å; Y741-G772 VanDerWaalsContact O-N 3.08Å; Y741-T792 HydrophobicContact CD2-CG2 4.2Å; Y741-T792 HydrophobicContact CG-CG2 4.47Å; Y741-Q797 HydrophobicContact CD1-CB 4.11Å; Y741-Q797 HydrophobicContact CD1-CG 4.17Å; Y741-Q797 HydrophobicContact CD2-CB 4.16Å; Y741-Q797 HydrophobicContact CE1-CB 4.13Å; Y741-Q797 HydrophobicContact CE1-CG 4.27Å; Y741-Q797 HydrophobicContact CE2-CB 4.16Å; Y741-Q797 HydrophobicContact CG-CB 4.15Å; Y741-E798 WeakPolarHBondContact CE2-O 3.47Å; Y741-E798 PolarHBondContact OH-O 3.48Å
742A96.3Very high95.7Very high20 Ų2035.1 Ų35.117%0.16518%0.182CC..EExtended strand (participates in β ladder)trans-84.2126.7168.500000108.4R770 T792 Y793A742-R770 CarbonylContact C-O 3.52Å; A742-R770 WeakPolarHBondContact CA-O 3.23Å; A742-T792 CarbonylContact O-C 3.55Å; A742-T792 WeakPolarHBondContact O-CA 3.36Å; A742-Y793 PolarHBondContact O-N 3.32Å
743L97.2Very high95.6Very high0 Ų038.4 Ų38.40%020%0.202CC..EExtended strand (participates in β ladder)trans-108.8153.7-170.7-47.1-178.6000110.2W697 L735 Y769 R770 V774 S791 T792W697-L743 HydrophobicContact CH2-CD2 3.76Å; W697-L743 HydrophobicContact CZ3-CD2 3.98Å; L735-L743 HydrophobicContact CD2-CB 4.06Å; L735-L743 HydrophobicContact CD2-CD1 4.47Å; L735-L743 HydrophobicContact CG-CD1 4.26Å; L743-Y769 VanDerWaalsContact O-CA 3.22Å; L743-Y769 WeakPolarHBondContact O-CA 3.2Å; L743-R770 PolarHBondContact N-O 2.94Å; L743-R770 PolarHBondContact O-N 2.6Å; L743-R770 VanDerWaalsContact O-N 3.08Å; L743-V774 HydrophobicContact CB-CG1 4.4Å; L743-V774 HydrophobicContact CB-CG2 4.05Å; L743-V774 VanDerWaalsContact O-CG1 3.24Å; L743-V774 WeakPolarHBondContact O-CG1 3.39Å; L743-S791 CarbonylContact C-O 3.54Å; L743-S791 WeakPolarHBondContact CA-O 3.26Å; L743-T792 HydrophobicContact CD2-CG2 4.19Å
744G97.2Very high95.3Very high0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-145.9150.8174.600000112.3S791G744-S791 PolarHBondContact N-O 2.93Å; G744-S791 PolarHBondContact O-N 3.35Å; G744-S791 PolarHBondContact O-OG 3.03Å
745L97.2Very high95Very high4 Ų445.4 Ų45.42%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-118.8140.9171.7-66.4163.8000110.3I733 L735 T765 T766 V774 L776 V788 I789 V790 L803I733-L745 HydrophobicContact CB-CD1 4.19Å; I733-L745 HydrophobicContact CG2-CD1 3.66Å; I733-L745 HydrophobicContact CG2-CD2 4.15Å; I733-L745 WeakPolarHBondContact O-CD1 3.31Å; L735-L745 HydrophobicContact CB-CD1 3.97Å; L735-L745 HydrophobicContact CB-CD2 3.99Å; L735-L745 HydrophobicContact CB-CG 4.03Å; L735-L745 HydrophobicContact CD2-CD2 3.91Å; L735-L745 HydrophobicContact CD2-CG 4.15Å; L735-L745 HydrophobicContact CG-CD2 4.46Å; L745-T765 WeakPolarHBondContact O-CA 3.35Å; L745-T765 WeakPolarHBondContact O-CB 3.41Å; L745-T766 HydrophobicContact CB-CG2 3.67Å; L745-T766 HydrophobicContact CD1-CG2 4Å; L745-T766 HydrophobicContact CG-CG2 4.13Å; L745-T766 PolarHBondContact N-OG1 2.99Å; L745-T766 PolarHBondContact O-N 2.77Å; L745-T766 VanDerWaalsContact O-N 3.16Å; L745-V774 HydrophobicContact CD1-CG2 4.11Å; L745-V774 HydrophobicContact CG-CG2 4.05Å; L745-L776 HydrophobicContact CD1-CB 4.23Å; L745-V788 HydrophobicContact CD2-CG1 3.86Å; L745-I789 WeakPolarHBondContact CA-O 3.32Å; L745-V790 HydrophobicContact CD2-CB 4.34Å; L745-V790 HydrophobicContact CD2-CG1 3.68Å; L745-L803 HydrophobicContact CD2-CD1 4.06Å
746E97.1Very high94.7Very high7 Ų753.1 Ų53.13%0.03328%0.275CS..EExtended strand (participates in β ladder)trans-121.3129.9163.1-174.8-179.2-160.100109Y712 I748 R763 S764 T765 V788 I789Y712-E746 WeakPolarHBondContact CE1-OE2 3.39Å; Y712-E746 WeakPolarHBondContact OH-CB 3.37Å; Y712-E746 PolarHBondContact OH-OE2 3.04Å; E746-I748 HydrophobicContact CG-CD1 4.31Å; E746-I748 HydrophobicContact CG-CG1 3.84Å; E746-R763 WeakPolarHBondContact OE1-CD 3.37Å; E746-R763 IonicContact OE1-CZ 3.03Å; E746-R763 IonicContact OE1-NH1 4Å; E746-R763 PolarHBondContact OE1-NH1 3.39Å; E746-R763 IonicContact OE2-NH1 3.84Å; E746-S764 CarbonylContact C-O 3.55Å; E746-S764 WeakPolarHBondContact CA-O 3.26Å; E746-T765 HydrophobicContact CB-CG2 4.27Å; E746-T765 HydrophobicContact CG-CG2 4.07Å; E746-V788 CarbonylContact O-C 3.6Å; E746-V788 VanDerWaalsContact O-CA 3.28Å; E746-V788 WeakPolarHBondContact O-CA 3.13Å; E746-I789 HydrophobicContact CB-CB 4.44Å; E746-I789 PolarHBondContact N-O 2.94Å; E746-I789 VanDerWaalsContact N-O 3.08Å; E746-I789 PolarHBondContact O-N 2.85Å
747L97.8Very high94.6Very high5 Ų549.5 Ų49.53%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-107.4126.4170.1-178.272000108.5I733 R763 S764 L776 Q778 L781 Y786 N787 V788I733-L747 HydrophobicContact CD1-CD1 3.85Å; I733-L747 HydrophobicContact CD1-CD2 4.3Å; I733-L747 HydrophobicContact CD1-CG 4.47Å; L747-R763 CarbonylContact O-C 3.47Å; L747-R763 VanDerWaalsContact O-CA 3.29Å; L747-R763 WeakPolarHBondContact O-CA 3.48Å; L747-S764 PolarHBondContact N-O 3.03Å; L747-S764 PolarHBondContact O-N 3.01Å; L747-L776 HydrophobicContact CB-CD2 3.7Å; L747-Q778 HydrophobicContact CD2-CB 4.49Å; L747-Q778 HydrophobicContact CD2-CG 3.96Å; L747-L781 HydrophobicContact CD2-CD1 4.49Å; L747-Y786 HydrophobicContact CD1-CD1 4.4Å; L747-Y786 HydrophobicContact CD1-CG 4.37Å; L747-Y786 HydrophobicContact CD2-CD1 4.42Å; L747-Y786 HydrophobicContact CG-CD1 4.32Å; L747-N787 CarbonylContact C-O 3.44Å; L747-N787 WeakPolarHBondContact CA-O 3.32Å; L747-V788 HydrophobicContact CD1-CG2 3.49Å; L747-V788 VanDerWaalsContact CD1-CG2 3.49Å
748I97.4Very high94.6Very high23 Ų2353.4 Ų53.412%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-121.6122.7-177.5-52.2177.8000108.8E746 I750 N762 R763 Y786 N787 I789E746-I748 HydrophobicContact CG-CD1 4.31Å; E746-I748 HydrophobicContact CG-CG1 3.84Å; I748-I750 HydrophobicContact CG2-CD1 4.07Å; I748-I750 PolarHBondContact O-N 3.16Å; I748-N762 CarbonylContact C-O 3.6Å; I748-N762 WeakPolarHBondContact CA-O 3.25Å; I748-R763 HydrophobicContact CG1-CG 4.37Å; I748-R763 HydrophobicContact CG2-CG 4.32Å; I748-Y786 CarbonylContact O-C 3.42Å; I748-Y786 VanDerWaalsContact O-CA 3.22Å; I748-Y786 WeakPolarHBondContact O-CA 3.43Å; I748-N787 HydrophobicContact CB-CB 4.49Å; I748-N787 PolarHBondContact N-O 2.73Å; I748-N787 PolarHBondContact O-N 3.08Å; I748-I789 HydrophobicContact CD1-CD1 3.82Å
749R96.7Very high94.6Very high34 Ų3453 Ų5313%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-73.3121.3172.4-175.4-178.9175.9-172.10.8109.4A752 D755 N762 Y786R749-A752 VanDerWaalsContact CZ-CB 3.49Å; R749-A752 VanDerWaalsContact NE-CB 3.32Å; R749-D755 IonicContact NH2-OD1 2.96Å; R749-N762 PolarHBondContact N-O 2.7Å; R749-Y786 HydrophobicContact CB-CD1 3.99Å; R749-Y786 HydrophobicContact CB-CE1 3.86Å; R749-Y786 HydrophobicContact CG-CD1 4.3Å; R749-Y786 HydrophobicContact CG-CE1 3.82Å
750I97Very high94.7Very high96 Ų9650.1 Ų50.149%0.49227%0.272SS..  trans-98.6-43.8177.9-55.9-56.8000110.4I748 V785 N787I748-I750 HydrophobicContact CG2-CD1 4.07Å; I748-I750 PolarHBondContact O-N 3.16Å; I750-V785 WeakPolarHBondContact CA-O 3.23Å; I750-V785 HydrophobicContact CB-CB 4.22Å; I750-V785 HydrophobicContact CB-CG1 4.11Å; I750-V785 WeakPolarHBondContact CB-O 3.47Å; I750-V785 HydrophobicContact CG1-CG1 4.41Å; I750-V785 HydrophobicContact CG2-CG1 4.49Å; I750-V785 PolarHBondContact N-O 3.24Å; I750-N787 HydrophobicContact CD1-CB 4.29Å; I750-N787 WeakPolarHBondContact CD1-ND2 3.37Å; I750-N787 HydrophobicContact CG1-CB 4.22Å
751S95.8Very high94.7Very high50 Ų5049.3 Ų49.335%0.3526%0.264SS..  trans-143.5162.4175.570.50000110.7V785S751-V785 PolarHBondContact N-O 3.01Å; S751-V785 VanDerWaalsContact N-O 3.08Å; S751-V785 PolarHBondContact O-N 3.15Å; S751-V785 WeakPolarHBondContact OG-CB 3.28Å; S751-V785 WeakPolarHBondContact OG-CG2 3.5Å; S751-V785 PolarHBondContact OG-N 3.07Å
752A95.1Very high94.6Very high33 Ų3351.9 Ų51.927%0.27328%0.282SS..  trans-135.8148.9168.500000111.1R749 S782 G783R749-A752 VanDerWaalsContact CZ-CB 3.49Å; R749-A752 VanDerWaalsContact NE-CB 3.32Å; A752-S782 WeakPolarHBondContact CB-OG 3.28Å; A752-G783 CarbonylContact C-O 3.48Å; A752-G783 WeakPolarHBondContact CA-O 3.49Å
753T95.4Very high94.5Very high69 Ų6957.7 Ų57.742%0.42330%0.299SS..SBendtrans-93.2-29.3174.553.70000111.5N724 N725 G783N724-T753 WeakPolarHBondContact O-CB 3.28Å; N724-T753 PolarHBondContact O-OG1 3.18Å; N725-T753 WeakPolarHBondContact OD1-CB 3.46Å; N725-T753 PolarHBondContact OD1-O 3.25Å; T753-G783 PolarHBondContact N-O 2.94Å; T753-G783 VanDerWaalsContact OG1-CA 3.24Å; T753-G783 WeakPolarHBondContact OG1-CA 3.46Å; T753-G783 PolarHBondContact OG1-O 2.77Å; T753-G783 VanDerWaalsContact OG1-O 3.12Å
754N91.8Very high94.5Very high28 Ų2858.1 Ų58.115%0.1530%0.303CS..  trans-128.2110.8-176.1-168.3-27.7000112.3N725 Q756 S782N725-N754 PolarHBondContact O-ND2 3.46Å; N754-Q756 PolarHBondContact O-N 3.27Å; N754-Q756 WeakPolarHBondContact OD1-CA 3.44Å; N754-Q756 VanDerWaalsContact OD1-CB 3.3Å; N754-Q756 WeakPolarHBondContact OD1-CB 3.21Å; N754-Q756 PolarHBondContact OD1-N 2.94Å; N754-S782 VanDerWaalsContact C-OG 3.27Å; N754-S782 WeakPolarHBondContact CA-OG 3.38Å; N754-S782 WeakPolarHBondContact CB-OG 3.34Å; N754-S782 PolarHBondContact N-OG 2.92Å; N754-S782 WeakPolarHBondContact O-CB 3.29Å; N754-S782 PolarHBondContact O-OG 3.19Å
755D87.8Confident94.4Very high119 Ų11962 Ų6264%0.63633%0.326SS*.THydrogen-bonded Turntrans-75.4-7.5179.9-65.8-37.2000114.1R749 A757 Q760R749-D755 IonicContact NH2-OD1 2.96Å; D755-A757 VanDerWaalsContact C-N 3.29Å; D755-Q760 PolarHBondContact O-NE2 2.8Å
756Q92.4Very high94.2Very high161 Ų16162.8 Ų62.875%0.75233%0.331SS*.THydrogen-bonded Turntrans-88.88177.3-56.4-63.4-28.400113.2N754N754-Q756 PolarHBondContact O-N 3.27Å; N754-Q756 WeakPolarHBondContact OD1-CA 3.44Å; N754-Q756 VanDerWaalsContact OD1-CB 3.3Å; N754-Q756 WeakPolarHBondContact OD1-CB 3.21Å; N754-Q756 PolarHBondContact OD1-N 2.94Å
757A92.5Very high93.9Very high3 Ų364.5 Ų64.53%0.02535%0.351CS..  trans-61.3133.3176.200000111.5C727 D755 N759 Q760C727-A757 HydrophobicContact CB-CB 4.5Å; C727-A757 WeakPolarHBondContact O-CA 3.46Å; D755-A757 VanDerWaalsContact C-N 3.29Å; A757-N759 VanDerWaalsContact C-N 3.26Å; A757-N759 PolarHBondContact O-N 2.86Å; A757-Q760 PolarHBondContact O-NE2 3.14Å
758P94.3Very high93.6Very high105 Ų10570.1 Ų70.168%0.68238%0.381SS*.SBendtrans-61.6-32.7179.2-25.435.3000113.6C727 G780C727-P758 WeakPolarHBondContact O-CD 3.19Å; P758-G780 WeakPolarHBondContact CD-O 3.21Å
759N92.9Very high93.5Very high23 Ų2371.7 Ų71.712%0.12339%0.386CS..  trans-93.8103177.7-171.9-10.7000110.7A757 Q761 Q778 A779 G780 L781A757-N759 VanDerWaalsContact C-N 3.26Å; A757-N759 PolarHBondContact O-N 2.86Å; N759-Q761 WeakPolarHBondContact OD1-CB 3.4Å; N759-Q761 WeakPolarHBondContact OD1-CG 3.16Å; N759-Q761 PolarHBondContact OD1-N 3.19Å; N759-Q761 VanDerWaalsContact OD1-N 3.08Å; N759-Q778 PolarHBondContact ND2-OE1 3.35Å; N759-A779 VanDerWaalsContact CB-O 3.25Å; N759-A779 WeakPolarHBondContact CB-O 3.12Å; N759-A779 PolarHBondContact ND2-O 2.88Å; N759-A779 VanDerWaalsContact ND2-O 3.14Å; N759-G780 WeakPolarHBondContact CB-O 3.39Å; N759-G780 PolarHBondContact N-O 2.85Å; N759-L781 HydrophobicContact CB-CD2 4.23Å
760Q90.3Very high93.4Very high90 Ų9073 Ų7342%0.42139%0.391SS..  trans-98.711.5179-64.2-69.3-20.700113.1D755 A757 N762D755-Q760 PolarHBondContact O-NE2 2.8Å; A757-Q760 PolarHBondContact O-NE2 3.14Å; Q760-N762 PolarHBondContact O-N 3.04Å
761Q91.3Very high93.2Very high111 Ų11176 Ų7652%0.51940%0.396SS..  trans-66.7126.8-179.8-65.1-175.1-0.100110.7N759 R763 S764N759-Q761 WeakPolarHBondContact OD1-CB 3.4Å; N759-Q761 WeakPolarHBondContact OD1-CG 3.16Å; N759-Q761 PolarHBondContact OD1-N 3.19Å; N759-Q761 VanDerWaalsContact OD1-N 3.08Å; Q761-R763 VanDerWaalsContact C-N 3.34Å; Q761-S764 PolarHBondContact OE1-OG 3.03Å; Q761-S764 VanDerWaalsContact OE1-OG 3.04Å
762N93.2Very high93Very high108 Ų10874.1 Ų74.158%0.57838%0.384SS*.SBendtrans-77.3-24.1175.4-71.2-30.6000112.5I748 R749 Q760I748-N762 CarbonylContact C-O 3.6Å; I748-N762 WeakPolarHBondContact CA-O 3.25Å; R749-N762 PolarHBondContact N-O 2.7Å; Q760-N762 PolarHBondContact O-N 3.04Å
763R95Very high92.9Very high142 Ų14272.9 Ų72.954%0.53637%0.373SS..EExtended strand (participates in β ladder)trans-143.2137.7-178.5-64.7179.6179.2-119.84.5109.9E746 L747 I748 Q761E746-R763 WeakPolarHBondContact OE1-CD 3.37Å; E746-R763 IonicContact OE1-CZ 3.03Å; E746-R763 IonicContact OE1-NH1 4Å; E746-R763 PolarHBondContact OE1-NH1 3.39Å; E746-R763 IonicContact OE2-NH1 3.84Å; L747-R763 CarbonylContact O-C 3.47Å; L747-R763 VanDerWaalsContact O-CA 3.29Å; L747-R763 WeakPolarHBondContact O-CA 3.48Å; I748-R763 HydrophobicContact CG1-CG 4.37Å; I748-R763 HydrophobicContact CG2-CG 4.32Å; Q761-R763 VanDerWaalsContact C-N 3.34Å
764S95.7Very high92.9Very high10 Ų1069.6 Ų69.67%0.0735%0.352CS..EExtended strand (participates in β ladder)trans-139142.7175.2-54.20000109E746 L747 Q761 Q778E746-S764 CarbonylContact C-O 3.55Å; E746-S764 WeakPolarHBondContact CA-O 3.26Å; L747-S764 PolarHBondContact N-O 3.03Å; L747-S764 PolarHBondContact O-N 3.01Å; Q761-S764 PolarHBondContact OE1-OG 3.03Å; Q761-S764 VanDerWaalsContact OE1-OG 3.04Å; S764-Q778 PolarHBondContact OG-OE1 2.85Å
765T95.4Very high93.1Very high80 Ų8068.9 Ų68.949%0.49135%0.349SS..EExtended strand (participates in β ladder)trans-130.2166.4179.9700000110.8L745 E746 G767 L776L745-T765 WeakPolarHBondContact O-CA 3.35Å; L745-T765 WeakPolarHBondContact O-CB 3.41Å; E746-T765 HydrophobicContact CB-CG2 4.27Å; E746-T765 HydrophobicContact CG-CG2 4.07Å; T765-G767 PolarHBondContact O-N 2.83Å; T765-G767 PolarHBondContact OG1-N 2.88Å; T765-L776 WeakPolarHBondContact O-CD1 3.41Å
766T93.7Very high93.5Very high21 Ų2163.7 Ų63.713%0.12932%0.321CS..  trans-68.7-517146.70000114L745 V774 L776L745-T766 HydrophobicContact CB-CG2 3.67Å; L745-T766 HydrophobicContact CD1-CG2 4Å; L745-T766 HydrophobicContact CG-CG2 4.13Å; L745-T766 PolarHBondContact N-OG1 2.99Å; L745-T766 PolarHBondContact O-N 2.77Å; L745-T766 VanDerWaalsContact O-N 3.16Å; T766-V774 HydrophobicContact CG2-CB 3.85Å; T766-V774 HydrophobicContact CG2-CG2 4.04Å; T766-L776 HydrophobicContact CG2-CB 4.02Å
767G91.5Very high93.5Very high43 Ų4358.2 Ų58.244%0.44330%0.296SS..SBendtrans74.1-127.8-168.300000110.9T765T765-G767 PolarHBondContact O-N 2.83Å; T765-G767 PolarHBondContact OG1-N 2.88Å
768D91.2Very high93.6Very high123 Ų12359.2 Ų59.266%0.65830%0.3SS*.SBendtrans-59.7140.8179.9-63.6-32.5000112.3
769Y94.9Very high93.5Very high56 Ų5656.6 Ų56.622%0.2229%0.287CS..  trans-72.5132.3175-79.9-119.1000110C705 L743 S791 Y793C705-Y769 WeakPolarHBondContact CA-OH 3.2Å; C705-Y769 HydrophobicContact CB-CE1 3.89Å; C705-Y769 HydrophobicContact CB-CE2 3.98Å; C705-Y769 VanDerWaalsContact CB-CZ 3.44Å; C705-Y769 VanDerWaalsContact CB-OH 3.26Å; C705-Y769 WeakPolarHBondContact CB-OH 3.33Å; L743-Y769 VanDerWaalsContact O-CA 3.22Å; L743-Y769 WeakPolarHBondContact O-CA 3.2Å; Y769-S791 PolarHBondContact OH-OG 2.77Å; Y769-Y793 VanDerWaalsContact CD1-CA 3.5Å; Y769-Y793 HydrophobicContact CD1-CD2 4.12Å; Y769-Y793 HydrophobicContact CD1-CG 4.42Å; Y769-Y793 HydrophobicContact CD2-CD2 4.08Å; Y769-Y793 AromaticContact CG-CD2 3.79Å; Y769-Y793 HydrophobicContact CG-CD2 3.79Å; Y769-Y793 HydrophobicContact CG-CG 4.39Å
770R94.3Very high93.5Very high62 Ų6255.9 Ų55.923%0.23428%0.284CS..EExtended strand (participates in β ladder)trans-125.6147.5-174.7-57.3176.9-176.5-113.9-10.8112.7D625 A742 L743 G772 V774D625-R770 IonicContact OD2-CZ 3.18Å; D625-R770 VanDerWaalsContact OD2-CZ 3.31Å; D625-R770 IonicContact OD2-NH1 3.88Å; D625-R770 PolarHBondContact OD2-NH1 3.47Å; D625-R770 IonicContact OD2-NH2 3.42Å; D625-R770 PolarHBondContact OD2-NH2 2.91Å; A742-R770 CarbonylContact C-O 3.52Å; A742-R770 WeakPolarHBondContact CA-O 3.23Å; L743-R770 PolarHBondContact N-O 2.94Å; L743-R770 PolarHBondContact O-N 2.6Å; L743-R770 VanDerWaalsContact O-N 3.08Å; R770-G772 PolarHBondContact O-N 3.2Å; R770-V774 HydrophobicContact CB-CG1 3.7Å; R770-V774 HydrophobicContact CG-CG1 4.17Å
771R92.2Very high93.8Very high159 Ų15951.8 Ų51.860%0.627%0.265SS*.EExtended strand (participates in β ladder)trans-70124.8-174.6-74.6-173.4-176.5-161.22.6112.6R739 Y741 Y773R739-R771 WeakPolarHBondContact O-CB 3.35Å; R739-R771 WeakPolarHBondContact O-CD 3.5Å; Y741-R771 VanDerWaalsContact O-CA 3.27Å; Y741-R771 WeakPolarHBondContact O-CA 3.44Å; R771-Y773 PolarHBondContact O-N 2.97Å
772G91.8Very high94Very high10 Ų1046.5 Ų46.510%0.10324%0.241CC..SBendtrans69.2-21169.300000117.4R736 G737 Y741 R770R736-G772 WeakPolarHBondContact CA-O 3.47Å; G737-G772 PolarHBondContact N-O 3.09Å; G737-G772 WeakPolarHBondContact O-CA 3.41Å; Y741-G772 PolarHBondContact O-N 3.2Å; Y741-G772 VanDerWaalsContact O-N 3.08Å; R770-G772 PolarHBondContact O-N 3.2Å
773Y93.9Very high94.1Very high8 Ų841.3 Ų41.33%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-151.1132.1179.5178.8-109.6000112.1A567 Y622 E734 L735 R736 R771 V775A567-Y773 HydrophobicContact CB-CD1 3.51Å; A567-Y773 HydrophobicContact CB-CE1 3.78Å; A567-Y773 HydrophobicContact CB-CG 3.93Å; Y622-Y773 HydrophobicContact CD1-CD1 4.12Å; Y622-Y773 HydrophobicContact CD1-CE1 4.33Å; Y622-Y773 AromaticContact CE1-CD1 3.8Å; Y622-Y773 HydrophobicContact CE1-CD1 3.8Å; Y622-Y773 HydrophobicContact CE1-CE1 4.01Å; E734-Y773 HydrophobicContact CB-CE2 4.14Å; E734-Y773 HydrophobicContact CG-CE2 4.36Å; E734-Y773 WeakPolarHBondContact OE1-CE2 3.44Å; E734-Y773 PolarHBondContact OE1-OH 3.24Å; L735-Y773 WeakPolarHBondContact O-CA 3.48Å; R736-Y773 HydrophobicContact CG-CD2 3.71Å; R736-Y773 HydrophobicContact CG-CE2 4.25Å; R771-Y773 PolarHBondContact O-N 2.97Å; Y773-V775 HydrophobicContact CE1-CB 4.5Å; Y773-V775 HydrophobicContact CE1-CG1 4.5Å
774V95.9Very high94.2Very high0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-138.6155.7166.1-70.70000110.9Y622 L735 L743 L745 T766 R770Y622-V774 WeakPolarHBondContact OH-CA 3.44Å; L735-V774 HydrophobicContact CB-CG2 3.79Å; L735-V774 HydrophobicContact CD2-CG2 4.11Å; L735-V774 HydrophobicContact CG-CG2 4.42Å; L735-V774 PolarHBondContact N-O 2.8Å; L735-V774 PolarHBondContact O-N 2.52Å; L743-V774 HydrophobicContact CB-CG1 4.4Å; L743-V774 HydrophobicContact CB-CG2 4.05Å; L743-V774 VanDerWaalsContact O-CG1 3.24Å; L743-V774 WeakPolarHBondContact O-CG1 3.39Å; L745-V774 HydrophobicContact CD1-CG2 4.11Å; L745-V774 HydrophobicContact CG-CG2 4.05Å; T766-V774 HydrophobicContact CG2-CB 3.85Å; T766-V774 HydrophobicContact CG2-CG2 4.04Å; R770-V774 HydrophobicContact CB-CG1 3.7Å; R770-V774 HydrophobicContact CG-CG1 4.17Å
775V95.1Very high94.3Very high13 Ų1335.4 Ų35.48%0.07919%0.193CC..EExtended strand (participates in β ladder)trans-136.7140.6176.6630000111.1Y621 Y622 L732 I733 E734 Y773Y621-V775 HydrophobicContact CD1-CB 4.4Å; Y621-V775 HydrophobicContact CD1-CG1 3.92Å; Y621-V775 HydrophobicContact CD1-CG2 4.06Å; Y621-V775 HydrophobicContact CD2-CG1 4.04Å; Y621-V775 HydrophobicContact CE1-CG2 4.13Å; Y621-V775 HydrophobicContact CG-CG1 3.58Å; Y621-V775 HydrophobicContact CG-CG2 4.46Å; Y622-V775 HydrophobicContact CE1-CG1 4.24Å; Y622-V775 HydrophobicContact CE2-CG1 4.14Å; Y622-V775 WeakPolarHBondContact OH-CG1 3.45Å; Y622-V775 PolarHBondContact OH-N 2.81Å; Y622-V775 PolarHBondContact OH-O 2.9Å; L732-V775 HydrophobicContact CD1-CG2 3.39Å; L732-V775 HydrophobicContact CG-CG2 3.98Å; I733-V775 CarbonylContact O-C 3.54Å; I733-V775 VanDerWaalsContact O-CA 3.28Å; I733-V775 WeakPolarHBondContact O-CA 3.29Å; E734-V775 HydrophobicContact CG-CB 4.32Å; E734-V775 HydrophobicContact CG-CG2 3.82Å; Y773-V775 HydrophobicContact CE1-CB 4.5Å; Y773-V775 HydrophobicContact CE1-CG1 4.5Å
776L95.3Very high94.4Very high9 Ų931.8 Ų31.85%0.04717%0.17CC..EExtended strand (participates in β ladder)trans-123.4109.8172.2-178.758.9000108.8I733 L745 L747 T765 T766 Q778I733-L776 HydrophobicContact CB-CB 4.38Å; I733-L776 HydrophobicContact CD1-CD2 4.49Å; I733-L776 PolarHBondContact N-O 2.9Å; I733-L776 PolarHBondContact O-N 2.8Å; L745-L776 HydrophobicContact CD1-CB 4.23Å; L747-L776 HydrophobicContact CB-CD2 3.7Å; T765-L776 WeakPolarHBondContact O-CD1 3.41Å; T766-L776 HydrophobicContact CG2-CB 4.02Å; L776-Q778 HydrophobicContact CD1-CG 4.32Å; L776-Q778 HydrophobicContact CG-CG 4.14Å
777E93.7Very high94.6Very high47 Ų4731.4 Ų31.422%0.2217%0.167CC..EExtended strand (participates in β ladder)trans-98.6126173.8-171.4168.9-154.600109R618 Y621 Y687 L732R618-E777 IonicContact CZ-OE1 3.78Å; R618-E777 IonicContact NE-OE1 3.43Å; R618-E777 IonicContact NH1-OE1 3.87Å; R618-E777 PolarHBondContact NH1-OE1 3.44Å; R618-E777 IonicContact NH2-OE1 2.8Å; Y621-E777 WeakPolarHBondContact CE2-OE2 3.5Å; Y621-E777 PolarHBondContact OH-OE1 3.29Å; Y621-E777 PolarHBondContact OH-OE2 3.04Å; Y687-E777 PolarHBondContact OH-OE1 2.91Å; L732-E777 HydrophobicContact CD1-CB 3.65Å; L732-E777 HydrophobicContact CD1-CG 3.92Å
778Q93.7Very high95Very high24 Ų2429.3 Ų29.311%0.11215%0.146CC..EExtended strand (participates in β ladder)trans-131.8132.6178-68.4-66.2-45.300109.7Q730 L731 L747 N759 S764 L776 L781Q730-Q778 CarbonylContact C-O 3.55Å; Q730-Q778 VanDerWaalsContact CA-O 3.25Å; Q730-Q778 WeakPolarHBondContact CA-O 3.42Å; L731-Q778 PolarHBondContact N-O 3.14Å; L731-Q778 PolarHBondContact O-N 3.08Å; L747-Q778 HydrophobicContact CD2-CB 4.49Å; L747-Q778 HydrophobicContact CD2-CG 3.96Å; N759-Q778 PolarHBondContact ND2-OE1 3.35Å; S764-Q778 PolarHBondContact OG-OE1 2.85Å; L776-Q778 HydrophobicContact CD1-CG 4.32Å; L776-Q778 HydrophobicContact CG-CG 4.14Å; Q778-L781 HydrophobicContact CB-CD1 3.74Å; Q778-L781 HydrophobicContact CB-CD2 4.35Å; Q778-L781 HydrophobicContact CB-CG 4.14Å
779A92.2Very high95.3Very high50 Ų5023.6 Ų23.641%0.41312%0.116SC..EExtended strand (participates in β ladder)trans-129168.3177.200000110.4N729 Q730 N759 L781N729-A779 CarbonylContact O-C 3.59Å; Q730-A779 HydrophobicContact CG-CB 3.93Å; N759-A779 VanDerWaalsContact CB-O 3.25Å; N759-A779 WeakPolarHBondContact CB-O 3.12Å; N759-A779 PolarHBondContact ND2-O 2.88Å; N759-A779 VanDerWaalsContact ND2-O 3.14Å; A779-L781 PolarHBondContact O-N 3.34Å
780G94Very high95.4Very high7 Ų720.9 Ų20.97%0.07211%0.105CC..EExtended strand (participates in β ladder)trans67.520.4-178.100000114C727 D728 N729 P758 N759C727-G780 CarbonylContact O-C 3.44Å; D728-G780 VanDerWaalsContact OD1-CA 3.32Å; D728-G780 WeakPolarHBondContact OD1-CA 3.35Å; D728-G780 PolarHBondContact OD1-N 2.86Å; N729-G780 PolarHBondContact O-N 2.76Å; P758-G780 WeakPolarHBondContact CD-O 3.21Å; N759-G780 WeakPolarHBondContact CB-O 3.39Å; N759-G780 PolarHBondContact N-O 2.85Å
781L95.8Very high95.6Very high4 Ų418 Ų182%0.0219%0.094CC..EExtended strand (participates in β ladder)trans-77.8145-176.9-67177.1000111.4C727 N729 L731 L747 N759 Q778 A779 Y786C727-L781 CarbonylContact C-O 3.57Å; N729-L781 HydrophobicContact CB-CB 4.08Å; N729-L781 VanDerWaalsContact CB-O 3.25Å; N729-L781 WeakPolarHBondContact CB-O 3.41Å; N729-L781 PolarHBondContact N-O 2.82Å; N729-L781 PolarHBondContact ND2-O 2.85Å; N729-L781 VanDerWaalsContact ND2-O 3.07Å; N729-L781 WeakPolarHBondContact O-CB 3.25Å; N729-L781 PolarHBondContact O-N 2.79Å; L731-L781 HydrophobicContact CB-CD1 4.21Å; L731-L781 HydrophobicContact CD1-CD1 3.79Å; L731-L781 HydrophobicContact CG-CD1 3.93Å; L747-L781 HydrophobicContact CD2-CD1 4.49Å; N759-L781 HydrophobicContact CB-CD2 4.23Å; Q778-L781 HydrophobicContact CB-CD1 3.74Å; Q778-L781 HydrophobicContact CB-CD2 4.35Å; Q778-L781 HydrophobicContact CB-CG 4.14Å; A779-L781 PolarHBondContact O-N 3.34Å; L781-Y786 HydrophobicContact CD2-CE1 4.15Å
782S95.9Very high95.9Very high0 Ų010.4 Ų10.40%07%0.065CC..PPolyproline II helixtrans-67.6154.7167.4-1630000110.8A752 N754 Y786A752-S782 WeakPolarHBondContact CB-OG 3.28Å; N754-S782 VanDerWaalsContact C-OG 3.27Å; N754-S782 WeakPolarHBondContact CA-OG 3.38Å; N754-S782 WeakPolarHBondContact CB-OG 3.34Å; N754-S782 PolarHBondContact N-OG 2.92Å; N754-S782 WeakPolarHBondContact O-CB 3.29Å; N754-S782 PolarHBondContact O-OG 3.19Å; S782-Y786 PolarHBondContact N-OH 2.82Å; S782-Y786 WeakPolarHBondContact O-CE2 3.28Å; S782-Y786 PolarHBondContact O-OH 3.45Å
783G95.8Very high96.1Very high0 Ų015.3 Ų15.30%08%0.082CC..SBendtrans-61.1162.9157.300000110.4V722 N724 D726 N729 A752 T753V722-G783 CarbonylContact O-C 3.56Å; V722-G783 WeakPolarHBondContact O-CA 3.46Å; N724-G783 WeakPolarHBondContact O-CA 3.32Å; D726-G783 PolarHBondContact O-N 3.05Å; N729-G783 PolarHBondContact ND2-N 2.86Å; N729-G783 VanDerWaalsContact ND2-N 3.15Å; A752-G783 CarbonylContact C-O 3.48Å; A752-G783 WeakPolarHBondContact CA-O 3.49Å; T753-G783 PolarHBondContact N-O 2.94Å; T753-G783 VanDerWaalsContact OG1-CA 3.24Å; T753-G783 WeakPolarHBondContact OG1-CA 3.46Å; T753-G783 PolarHBondContact OG1-O 2.77Å; T753-G783 VanDerWaalsContact OG1-O 3.12Å
784G96.4Very high96.3Very high3 Ų322.7 Ų22.73%0.03111%0.11CC..EExtended strand (participates in β ladder)trans129.6-161.2-176.800000113.6V722V722-G784 PolarHBondContact N-O 2.81Å; V722-G784 PolarHBondContact O-N 2.71Å
785V97.7Very high96.3Very high25 Ų2525.7 Ų25.715%0.15213%0.129CC..EExtended strand (participates in β ladder)trans-108.4132.5-172.1-177.40000110.5E719 I720 I750 S751E719-V785 VanDerWaalsContact CD-CG1 3.47Å; E719-V785 HydrophobicContact CG-CG1 3.38Å; I720-V785 CarbonylContact O-C 3.58Å; I720-V785 WeakPolarHBondContact O-CA 3.22Å; I750-V785 WeakPolarHBondContact CA-O 3.23Å; I750-V785 HydrophobicContact CB-CB 4.22Å; I750-V785 HydrophobicContact CB-CG1 4.11Å; I750-V785 WeakPolarHBondContact CB-O 3.47Å; I750-V785 HydrophobicContact CG1-CG1 4.41Å; I750-V785 HydrophobicContact CG2-CG1 4.49Å; I750-V785 PolarHBondContact N-O 3.24Å; S751-V785 PolarHBondContact N-O 3.01Å; S751-V785 VanDerWaalsContact N-O 3.08Å; S751-V785 PolarHBondContact O-N 3.15Å; S751-V785 WeakPolarHBondContact OG-CB 3.28Å; S751-V785 WeakPolarHBondContact OG-CG2 3.5Å; S751-V785 PolarHBondContact OG-N 3.07Å
786Y98.2Very high96.3Very high3 Ų327.7 Ų27.71%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-131141.2178.2-59-96.9000110.3E719 I720 V722 L747 I748 R749 L781 S782E719-Y786 CarbonylContact C-O 3.45Å; E719-Y786 WeakPolarHBondContact CA-O 3.35Å; I720-Y786 PolarHBondContact N-O 3.11Å; I720-Y786 PolarHBondContact O-N 2.88Å; V722-Y786 HydrophobicContact CG2-CD2 4.41Å; V722-Y786 HydrophobicContact CG2-CE2 4.38Å; L747-Y786 HydrophobicContact CD1-CD1 4.4Å; L747-Y786 HydrophobicContact CD1-CG 4.37Å; L747-Y786 HydrophobicContact CD2-CD1 4.42Å; L747-Y786 HydrophobicContact CG-CD1 4.32Å; I748-Y786 CarbonylContact O-C 3.42Å; I748-Y786 VanDerWaalsContact O-CA 3.22Å; I748-Y786 WeakPolarHBondContact O-CA 3.43Å; R749-Y786 HydrophobicContact CB-CD1 3.99Å; R749-Y786 HydrophobicContact CB-CE1 3.86Å; R749-Y786 HydrophobicContact CG-CD1 4.3Å; R749-Y786 HydrophobicContact CG-CE1 3.82Å; L781-Y786 HydrophobicContact CD2-CE1 4.15Å; S782-Y786 PolarHBondContact N-OH 2.82Å; S782-Y786 WeakPolarHBondContact O-CE2 3.28Å; S782-Y786 PolarHBondContact O-OH 3.45Å
787N98.1Very high96.4Very high13 Ų1329.1 Ų29.17%0.0716%0.159CC..EExtended strand (participates in β ladder)trans-104.2132.9172.6-74.8-12000110.5R717 F718 L747 I748 I750R717-N787 HydrophobicContact CG-CB 4.23Å; F718-N787 CarbonylContact O-C 3.56Å; F718-N787 WeakPolarHBondContact O-CA 3.25Å; L747-N787 CarbonylContact C-O 3.44Å; L747-N787 WeakPolarHBondContact CA-O 3.32Å; I748-N787 HydrophobicContact CB-CB 4.49Å; I748-N787 PolarHBondContact N-O 2.73Å; I748-N787 PolarHBondContact O-N 3.08Å; I750-N787 HydrophobicContact CD1-CB 4.29Å; I750-N787 WeakPolarHBondContact CD1-ND2 3.37Å; I750-N787 HydrophobicContact CG1-CB 4.22Å
788V97.9Very high96.6Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-106.2127.1171.6178.20000109R717 F718 I720 I733 L745 E746 L747 V790 L803R717-V788 CarbonylContact C-O 3.56Å; R717-V788 VanDerWaalsContact CA-O 3.29Å; R717-V788 WeakPolarHBondContact CA-O 3.48Å; F718-V788 PolarHBondContact N-O 2.91Å; F718-V788 PolarHBondContact O-N 2.92Å; I720-V788 HydrophobicContact CD1-CG2 3.41Å; I720-V788 VanDerWaalsContact CD1-CG2 3.41Å; I720-V788 HydrophobicContact CG1-CG2 4.16Å; I733-V788 HydrophobicContact CD1-CG2 3.73Å; I733-V788 HydrophobicContact CG2-CG1 4.24Å; L745-V788 HydrophobicContact CD2-CG1 3.86Å; E746-V788 CarbonylContact O-C 3.6Å; E746-V788 VanDerWaalsContact O-CA 3.28Å; E746-V788 WeakPolarHBondContact O-CA 3.13Å; L747-V788 HydrophobicContact CD1-CG2 3.49Å; L747-V788 VanDerWaalsContact CD1-CG2 3.49Å; V788-V790 HydrophobicContact CG1-CG1 4.3Å; V788-L803 HydrophobicContact CG1-CD1 4.46Å; V788-L803 HydrophobicContact CG1-CD2 4.44Å
789I98Very high96.7Very high2 Ų230.8 Ų30.81%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-108.6128.2172.2-57171.9000107.8Y712 N715 R717 L745 E746 I748Y712-I789 HydrophobicContact CE1-CD1 4.04Å; Y712-I789 HydrophobicContact CE2-CG2 4.26Å; N715-I789 HydrophobicContact CB-CG2 3.65Å; R717-I789 HydrophobicContact CG-CG1 4.04Å; L745-I789 WeakPolarHBondContact CA-O 3.32Å; E746-I789 HydrophobicContact CB-CB 4.44Å; E746-I789 PolarHBondContact N-O 2.94Å; E746-I789 VanDerWaalsContact N-O 3.08Å; E746-I789 PolarHBondContact O-N 2.85Å; I748-I789 HydrophobicContact CD1-CD1 3.82Å
790V98.1Very high97Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-105.5129.2175.3-51.10000108.9W697 N715 P716 F718 L735 L745 V788 F801 L803W697-V790 HydrophobicContact CZ2-CB 4.02Å; W697-V790 HydrophobicContact CZ2-CG2 3.93Å; W697-V790 PolarHBondContact NE1-O 2.69Å; N715-V790 WeakPolarHBondContact CB-O 3.39Å; P716-V790 HydrophobicContact CB-CG2 3.79Å; P716-V790 HydrophobicContact CG-CG2 3.94Å; P716-V790 PolarHBondContact O-N 2.89Å; P716-V790 VanDerWaalsContact O-N 3.14Å; F718-V790 HydrophobicContact CD2-CG1 4.28Å; F718-V790 HydrophobicContact CE2-CG1 4Å; F718-V790 HydrophobicContact CE2-CG2 4.05Å; L735-V790 HydrophobicContact CD1-CB 4.15Å; L735-V790 HydrophobicContact CD1-CG1 4.05Å; L735-V790 HydrophobicContact CD2-CB 3.95Å; L735-V790 HydrophobicContact CD2-CG1 4.33Å; L745-V790 HydrophobicContact CD2-CB 4.34Å; L745-V790 HydrophobicContact CD2-CG1 3.68Å; V788-V790 HydrophobicContact CG1-CG1 4.3Å; V790-F801 HydrophobicContact CG2-CD1 4.36Å; V790-F801 HydrophobicContact CG2-CD2 4.36Å; V790-F801 HydrophobicContact CG2-CE1 3.86Å; V790-F801 HydrophobicContact CG2-CE2 3.87Å; V790-F801 HydrophobicContact CG2-CZ 3.59Å; V790-L803 HydrophobicContact CG1-CD1 4.04Å; V790-L803 HydrophobicContact CG1-CD2 4.16Å
791S98Very high97.1Very high0 Ų032.3 Ų32.30%017%0.174CC..EExtended strand (participates in β ladder)trans-143.1154.2-174.3530000112.4G704 L743 G744 Y769G704-S791 WeakPolarHBondContact O-CB 3.37Å; L743-S791 CarbonylContact C-O 3.54Å; L743-S791 WeakPolarHBondContact CA-O 3.26Å; G744-S791 PolarHBondContact N-O 2.93Å; G744-S791 PolarHBondContact O-N 3.35Å; G744-S791 PolarHBondContact O-OG 3.03Å; Y769-S791 PolarHBondContact OH-OG 2.77Å
792T98Very high97.2Very high0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-93.4160.2165.151.30000109.9W697 G704 C705 Y741 A742 L743 R794 Q797W697-T792 HydrophobicContact CD2-CG2 3.81Å; W697-T792 HydrophobicContact CE3-CG2 3.83Å; W697-T792 HydrophobicContact CG-CG2 4.32Å; W697-T792 HydrophobicContact CH2-CG2 4.36Å; W697-T792 HydrophobicContact CZ2-CG2 4.33Å; W697-T792 HydrophobicContact CZ3-CG2 4.09Å; G704-T792 CarbonylContact C-O 3.52Å; G704-T792 WeakPolarHBondContact CA-O 3.44Å; C705-T792 PolarHBondContact N-O 2.87Å; Y741-T792 HydrophobicContact CD2-CG2 4.2Å; Y741-T792 HydrophobicContact CG-CG2 4.47Å; A742-T792 CarbonylContact O-C 3.55Å; A742-T792 WeakPolarHBondContact O-CA 3.36Å; L743-T792 HydrophobicContact CD2-CG2 4.19Å; T792-R794 VanDerWaalsContact C-N 3.3Å; T792-R794 PolarHBondContact O-N 2.88Å; T792-R794 PolarHBondContact OG1-O 3.32Å; T792-Q797 HydrophobicContact CG2-CB 3.98Å
793Y97.1Very high97.3Very high114 Ų11435 Ų3545%0.44719%0.188SC..SBendtrans-68-30.6-177.5-178.4-110.8000113C705 A742 Y769C705-Y793 HydrophobicContact CB-CD2 4.41Å; A742-Y793 PolarHBondContact O-N 3.32Å; Y769-Y793 VanDerWaalsContact CD1-CA 3.5Å; Y769-Y793 HydrophobicContact CD1-CD2 4.12Å; Y769-Y793 HydrophobicContact CD1-CG 4.42Å; Y769-Y793 HydrophobicContact CD2-CD2 4.08Å; Y769-Y793 AromaticContact CG-CD2 3.79Å; Y769-Y793 HydrophobicContact CG-CD2 3.79Å; Y769-Y793 HydrophobicContact CG-CG 4.39Å
794R96.6Very high97.4Very high163 Ų16335.2 Ų35.262%0.61519%0.189SC*.SBendtrans-120.3142.9178.2-65.1-176.9179.1-179.2-1.2110.7T792 Q797T792-R794 VanDerWaalsContact C-N 3.3Å; T792-R794 PolarHBondContact O-N 2.88Å; T792-R794 PolarHBondContact OG1-O 3.32Å; R794-Q797 HydrophobicContact CB-CG 4.17Å; R794-Q797 WeakPolarHBondContact O-CG 3.47Å
795P95.9Very high97.4Very high62 Ų6235 Ų3540%0.40319%0.188SC..THydrogen-bonded Turntrans-63.7154.9173.928.2-34000111.1A702 Q797A702-P795 CarbonylContact O-C 3.56Å; A702-P795 WeakPolarHBondContact O-CA 3.22Å; P795-Q797 PolarHBondContact O-N 3.45Å
796G96Very high97.4Very high55 Ų5535.2 Ų35.257%0.56719%0.186SC*.THydrogen-bonded Turntrans74.53.318000000115.5A702 E798A702-G796 PolarHBondContact O-N 2.82Å; G796-E798 PolarHBondContact O-N 2.79Å; G796-E798 VanDerWaalsContact O-N 3.15Å
797Q97Very high97.3Very high40 Ų4035.1 Ų35.119%0.18719%0.186CC..  trans-76.598.9172.2-67.7-170.6-48.400110.2W697 Y741 T792 R794 P795W697-Q797 WeakPolarHBondContact CB-O 3.41Å; Y741-Q797 HydrophobicContact CD1-CB 4.11Å; Y741-Q797 HydrophobicContact CD1-CG 4.17Å; Y741-Q797 HydrophobicContact CD2-CB 4.16Å; Y741-Q797 HydrophobicContact CE1-CB 4.13Å; Y741-Q797 HydrophobicContact CE1-CG 4.27Å; Y741-Q797 HydrophobicContact CE2-CB 4.16Å; Y741-Q797 HydrophobicContact CG-CB 4.15Å; T792-Q797 HydrophobicContact CG2-CB 3.98Å; R794-Q797 HydrophobicContact CB-CG 4.17Å; R794-Q797 WeakPolarHBondContact O-CG 3.47Å; P795-Q797 PolarHBondContact O-N 3.45Å
798E97.6Very high97Very high93 Ų9336.8 Ų36.844%0.43519%0.194SC..  trans-92.8137.8-176.8-59.4-169.2175.100112.9W697 G699 A702 Y741 G796W697-E798 CarbonylContact O-C 3.52Å; W697-E798 WeakPolarHBondContact O-CA 3.22Å; W697-E798 WeakPolarHBondContact O-CB 3.46Å; G699-E798 WeakPolarHBondContact CA-OE1 3.01Å; G699-E798 PolarHBondContact N-OE1 2.77Å; A702-E798 HydrophobicContact CB-CG 4.37Å; Y741-E798 WeakPolarHBondContact CE2-O 3.47Å; Y741-E798 PolarHBondContact OH-O 3.48Å; G796-E798 PolarHBondContact O-N 2.79Å; G796-E798 VanDerWaalsContact O-N 3.15Å
799G96.3Very high96.8Very high13 Ų1340.1 Ų40.113%0.13421%0.207CC..EExtended strand (participates in β ladder)trans168.7166.3176.400000113.7E696 W697E696-G799 WeakPolarHBondContact CA-O 3.38Å; W697-G799 PolarHBondContact N-O 3.04Å; W697-G799 PolarHBondContact O-N 3.08Å
800P97.9Very high96.7Very high86 Ų8645 Ų4556%0.55823%0.233SC*.EExtended strand (participates in β ladder)trans-75.5152.2-179.832.2-35.8000111.7G695 P738G695-P800 CarbonylContact O-C 3.58Å; G695-P800 WeakPolarHBondContact O-CA 3.4Å; P738-P800 WeakPolarHBondContact CD-O 3.36Å
801F97.7Very high96.7Very high3 Ų345 Ų451%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-137.6158170.364.7-97.9000112.4T694 G695 E696 W697 P716 F718 L735 R736 V790 L803T694-F801 WeakPolarHBondContact CA-O 3.21Å; T694-F801 WeakPolarHBondContact CG2-O 3.24Å; G695-F801 VanDerWaalsContact C-CE1 3.41Å; G695-F801 PolarHBondContact N-O 2.62Å; G695-F801 PolarHBondContact O-N 3.3Å; E696-F801 VanDerWaalsContact N-CE1 3.28Å; W697-F801 AromaticContact CD2-CD1 3.78Å; W697-F801 HydrophobicContact CD2-CD1 3.78Å; W697-F801 HydrophobicContact CD2-CE1 4.28Å; W697-F801 AromaticContact CE2-CD1 3.87Å; W697-F801 HydrophobicContact CE3-CB 4.25Å; W697-F801 AromaticContact CE3-CD1 3.73Å; W697-F801 HydrophobicContact CE3-CD1 3.73Å; W697-F801 HydrophobicContact CE3-CG 4.43Å; W697-F801 HydrophobicContact CG-CD1 4.49Å; W697-F801 HydrophobicContact CH2-CB 3.55Å; W697-F801 AromaticContact CH2-CD1 3.87Å; W697-F801 HydrophobicContact CH2-CD1 3.87Å; W697-F801 AromaticContact CH2-CG 3.91Å; W697-F801 HydrophobicContact CH2-CG 3.91Å; W697-F801 HydrophobicContact CZ2-CB 4.35Å; W697-F801 AromaticContact CZ2-CD1 3.92Å; W697-F801 HydrophobicContact CZ2-CD1 3.92Å; W697-F801 HydrophobicContact CZ2-CG 4.23Å; W697-F801 HydrophobicContact CZ3-CB 3.51Å; W697-F801 AromaticContact CZ3-CD1 3.8Å; W697-F801 HydrophobicContact CZ3-CD1 3.8Å; W697-F801 HydrophobicContact CZ3-CG 4.05Å; P716-F801 HydrophobicContact CB-CE1 4.32Å; P716-F801 HydrophobicContact CB-CZ 4Å; P716-F801 HydrophobicContact CG-CE1 3.89Å; P716-F801 HydrophobicContact CG-CZ 4.09Å; F718-F801 HydrophobicContact CE2-CE2 4.02Å; F718-F801 HydrophobicContact CE2-CZ 4.1Å; F718-F801 AromaticContact CZ-CE2 3.82Å; F718-F801 HydrophobicContact CZ-CE2 3.82Å; F718-F801 AromaticContact CZ-CZ 3.85Å; F718-F801 HydrophobicContact CZ-CZ 3.85Å; L735-F801 HydrophobicContact CD1-CB 3.87Å; L735-F801 HydrophobicContact CD1-CD2 3.8Å; L735-F801 HydrophobicContact CD1-CG 4.05Å; R736-F801 CarbonylContact O-C 3.49Å; R736-F801 WeakPolarHBondContact O-CA 3.33Å; R736-F801 WeakPolarHBondContact O-CB 3.47Å; V790-F801 HydrophobicContact CG2-CD1 4.36Å; V790-F801 HydrophobicContact CG2-CD2 4.36Å; V790-F801 HydrophobicContact CG2-CE1 3.86Å; V790-F801 HydrophobicContact CG2-CE2 3.87Å; V790-F801 HydrophobicContact CG2-CZ 3.59Å; F801-L803 HydrophobicContact CD2-CB 4.42Å; F801-L803 HydrophobicContact CE2-CB 4.43Å
802I97.1Very high96.7Very high59 Ų5947.3 Ų47.330%0.30325%0.249SC..EExtended strand (participates in β ladder)trans-120.3117.3172.7-56.5173000107.6Q692 L735 R736Q692-I802 HydrophobicContact CG-CG2 3.43Å; Q692-I802 VanDerWaalsContact CG-CG2 3.43Å; L735-I802 WeakPolarHBondContact CA-O 3.19Å; R736-I802 HydrophobicContact CB-CB 4.36Å; R736-I802 PolarHBondContact N-O 2.64Å; R736-I802 PolarHBondContact O-N 2.96Å
803L98.1Very high96.7Very high1 Ų148.3 Ų48.31%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-100.5119.9173.4-179.165.9000108.9Q692 I693 F718 I733 E734 L735 L745 V788 V790 F801 V805 I813Q692-L803 CarbonylContact C-O 3.57Å; Q692-L803 WeakPolarHBondContact CA-O 3.46Å; I693-L803 PolarHBondContact N-O 2.82Å; I693-L803 PolarHBondContact O-N 3.31Å; F718-L803 HydrophobicContact CB-CD2 4.37Å; F718-L803 HydrophobicContact CD1-CD2 4.42Å; F718-L803 HydrophobicContact CD2-CD2 3.47Å; F718-L803 VanDerWaalsContact CD2-CD2 3.47Å; F718-L803 HydrophobicContact CE2-CD2 3.8Å; F718-L803 HydrophobicContact CG-CD2 3.82Å; F718-L803 HydrophobicContact CZ-CD2 4.41Å; I733-L803 HydrophobicContact CG2-CD1 3.54Å; E734-L803 WeakPolarHBondContact O-CA 3.43Å; L735-L803 HydrophobicContact CD1-CD1 4.46Å; L745-L803 HydrophobicContact CD2-CD1 4.06Å; V788-L803 HydrophobicContact CG1-CD1 4.46Å; V788-L803 HydrophobicContact CG1-CD2 4.44Å; V790-L803 HydrophobicContact CG1-CD1 4.04Å; V790-L803 HydrophobicContact CG1-CD2 4.16Å; F801-L803 HydrophobicContact CD2-CB 4.42Å; F801-L803 HydrophobicContact CE2-CB 4.43Å; L803-V805 HydrophobicContact CG-CG2 4.39Å; L803-I813 HydrophobicContact CD2-CD1 4.04Å
804S96.9Very high96.7Very high4 Ų446 Ų463%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-115.1125.9174.9-168.60000109.3K691 I733 E734K691-S804 WeakPolarHBondContact O-CA 3.41Å; I733-S804 CarbonylContact C-O 3.53Å; I733-S804 WeakPolarHBondContact CA-O 3.5Å; E734-S804 PolarHBondContact N-O 2.84Å; E734-S804 PolarHBondContact O-N 3.42Å
805V98.1Very high96.6Very high0 Ų042.7 Ų42.70%025%0.252CS..EExtended strand (participates in β ladder)trans-115127.8174.4-176.60000108.5S690 K691 I720 L731 L732 I733 L803 F811 I813S690-V805 CarbonylContact C-O 3.58Å; S690-V805 WeakPolarHBondContact CA-O 3.33Å; K691-V805 PolarHBondContact N-O 2.86Å; K691-V805 PolarHBondContact O-N 2.9Å; I720-V805 HydrophobicContact CD1-CG1 3.94Å; I720-V805 HydrophobicContact CD1-CG2 4.04Å; L731-V805 HydrophobicContact CD2-CG1 4.19Å; L732-V805 CarbonylContact O-C 3.54Å; L732-V805 WeakPolarHBondContact O-CA 3.49Å; I733-V805 HydrophobicContact CG1-CG1 4.35Å; I733-V805 HydrophobicContact CG1-CG2 4.3Å; I733-V805 HydrophobicContact CG2-CG2 4.26Å; L803-V805 HydrophobicContact CG-CG2 4.39Å; V805-F811 HydrophobicContact CB-CE2 3.81Å; V805-F811 HydrophobicContact CB-CZ 3.8Å; V805-F811 HydrophobicContact CG1-CD2 4.32Å; V805-F811 HydrophobicContact CG1-CE1 4.39Å; V805-F811 HydrophobicContact CG1-CE2 3.56Å; V805-F811 HydrophobicContact CG1-CZ 3.61Å; V805-F811 WeakPolarHBondContact O-CZ 3.45Å; V805-I813 HydrophobicContact CG2-CD1 3.67Å
806K96.8Very high96.3Very high29 Ų2945.7 Ų45.713%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-120.6144.8177.5-49.1-176.6178.9151.30110.2E570 Y687 I689 L731 L732 E734E570-K806 IonicContact OE1-NZ 2.78Å; Y687-K806 HydrophobicContact CD1-CB 4.2Å; Y687-K806 HydrophobicContact CD2-CB 4.04Å; Y687-K806 HydrophobicContact CD2-CD 4.4Å; Y687-K806 HydrophobicContact CG-CB 3.7Å; I689-K806 CarbonylContact O-C 3.51Å; I689-K806 VanDerWaalsContact O-CA 3.23Å; I689-K806 WeakPolarHBondContact O-CA 3.34Å; L731-K806 WeakPolarHBondContact CA-O 3.38Å; L732-K806 HydrophobicContact CB-CB 4.24Å; L732-K806 HydrophobicContact CD2-CD 4.22Å; L732-K806 PolarHBondContact N-O 3.24Å; L732-K806 PolarHBondContact O-N 3.12Å; E734-K806 WeakPolarHBondContact OE2-CE 3.42Å; E734-K806 IonicContact OE2-NZ 3.86Å; E734-K806 PolarHBondContact OE2-NZ 2.63Å
807S96.7Very high96.3Very high0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-148.2155.7-179.7-177.70000110.9T688 I689 Q730 R809 F811T688-S807 PolarHBondContact N-O 2.89Å; I689-S807 PolarHBondContact N-O 2.92Å; I689-S807 PolarHBondContact O-N 2.87Å; Q730-S807 WeakPolarHBondContact O-CA 3.49Å; Q730-S807 PolarHBondContact O-OG 3.23Å; S807-R809 VanDerWaalsContact C-N 3.34Å; S807-R809 WeakPolarHBondContact CB-O 3.46Å; S807-R809 PolarHBondContact OG-N 2.64Å; S807-R809 PolarHBondContact OG-O 2.79Å; S807-F811 VanDerWaalsContact CB-CD1 3.5Å
808I92.2Very high96.3Very high49 Ų4945.5 Ų45.525%0.25125%0.251SS..SBendtrans-81.8-17.2169.857.5167.1000112P686 Y687 Q730P686-I808 HydrophobicContact CB-CG2 4.11Å; P686-I808 HydrophobicContact CG-CG2 4.34Å; Y687-I808 HydrophobicContact CD1-CG2 4.01Å; Y687-I808 HydrophobicContact CE1-CG2 4.46Å; Q730-I808 HydrophobicContact CB-CD1 4.36Å; Q730-I808 HydrophobicContact CB-CG1 4.26Å; Q730-I808 HydrophobicContact CG-CD1 4.01Å; Q730-I808 HydrophobicContact CG-CG1 4.45Å
809R93.5Very high96.2Very high70 Ų7042.9 Ų42.926%0.26424%0.241SC..SBendtrans-126.6159.4-179.2-68.1-166.3-166.6103.44.5111.3D726 D728 N729 S807D726-R809 VanDerWaalsContact CB-CZ 3.47Å; D726-R809 VanDerWaalsContact CB-NH1 3.3Å; D726-R809 WeakPolarHBondContact OD2-CD 3.3Å; D726-R809 IonicContact OD2-CZ 3.88Å; D726-R809 IonicContact OD2-NE 3.28Å; D726-R809 PolarHBondContact OD2-NE 2.88Å; D726-R809 IonicContact OD2-NH1 2.66Å; D728-R809 PolarHBondContact O-NH1 3.19Å; D728-R809 PolarHBondContact O-NH2 2.82Å; N729-R809 VanDerWaalsContact CG-NH1 3.31Å; N729-R809 WeakPolarHBondContact OD1-CD 3.49Å; N729-R809 PolarHBondContact OD1-NH1 3.18Å; S807-R809 VanDerWaalsContact C-N 3.34Å; S807-R809 WeakPolarHBondContact CB-O 3.46Å; S807-R809 PolarHBondContact OG-N 2.64Å; S807-R809 PolarHBondContact OG-O 2.79Å
810N95.6Very high96.2Very high103 Ų10344.6 Ų44.655%0.55125%0.247SC*.  trans-61.2142.8-178.5-166.729.7000111.5I689I689-N810 HydrophobicContact CD1-CB 4.18Å
811F97.6Very high96.1Very high2 Ų242.1 Ų42.11%0.00923%0.228CC..  trans-152.6157.7175.971.9-82.5000109.3I689 K691 I720 N721 V722 V805 S807 I813I689-F811 HydrophobicContact CB-CE1 4.47Å; I689-F811 HydrophobicContact CG2-CD1 4.18Å; I689-F811 HydrophobicContact CG2-CE1 3.79Å; K691-F811 HydrophobicContact CB-CE2 4.12Å; K691-F811 HydrophobicContact CB-CZ 3.84Å; K691-F811 HydrophobicContact CD-CD2 4.44Å; K691-F811 HydrophobicContact CD-CE2 3.88Å; K691-F811 HydrophobicContact CD-CZ 3.97Å; K691-F811 WeakPolarHBondContact CE-O 3.4Å; K691-F811 HydrophobicContact CG-CE1 4.48Å; K691-F811 HydrophobicContact CG-CE2 4.18Å; K691-F811 HydrophobicContact CG-CZ 3.81Å; K691-F811 PolarHBondContact NZ-O 3.44Å; I720-F811 HydrophobicContact CG2-CB 4.41Å; I720-F811 HydrophobicContact CG2-CD2 3.96Å; N721-F811 CarbonylContact O-C 3.6Å; N721-F811 WeakPolarHBondContact O-CA 3.49Å; N721-F811 WeakPolarHBondContact O-CB 3.45Å; V722-F811 HydrophobicContact CG2-CB 4.17Å; V805-F811 HydrophobicContact CB-CE2 3.81Å; V805-F811 HydrophobicContact CB-CZ 3.8Å; V805-F811 HydrophobicContact CG1-CD2 4.32Å; V805-F811 HydrophobicContact CG1-CE1 4.39Å; V805-F811 HydrophobicContact CG1-CE2 3.56Å; V805-F811 HydrophobicContact CG1-CZ 3.61Å; V805-F811 WeakPolarHBondContact O-CZ 3.45Å; S807-F811 VanDerWaalsContact CB-CD1 3.5Å; F811-I813 HydrophobicContact CD2-CB 4.49Å; F811-I813 HydrophobicContact CE2-CB 4.2Å; F811-I813 HydrophobicContact CE2-CG2 4.05Å
812S97.8Very high96Very high47 Ų4744.7 Ų44.733%0.32924%0.242SC..EExtended strand (participates in β ladder)trans-109.7153.1164.4580000110.5I720 N721I720-S812 CarbonylContact C-O 3.5Å; I720-S812 VanDerWaalsContact CA-O 3.28Å; I720-S812 WeakPolarHBondContact CA-O 3.36Å; N721-S812 PolarHBondContact N-O 2.86Å; N721-S812 PolarHBondContact O-N 3.32Å
813I98Very high96Very high22 Ų2243.6 Ų43.611%0.11324%0.238CC..EExtended strand (participates in β ladder)trans-134.3130.9173-177.6171.4000108.9K691 I693 F718 E719 I720 L803 V805 F811K691-I813 HydrophobicContact CB-CG2 3.89Å; K691-I813 HydrophobicContact CD-CG2 3.89Å; I693-I813 HydrophobicContact CD1-CB 4.33Å; I693-I813 HydrophobicContact CD1-CD1 3.78Å; I693-I813 HydrophobicContact CD1-CG1 3.67Å; I693-I813 HydrophobicContact CD1-CG2 3.9Å; I693-I813 HydrophobicContact CG1-CG2 4.45Å; F718-I813 HydrophobicContact CB-CD1 3.99Å; F718-I813 HydrophobicContact CB-CG1 3.99Å; F718-I813 HydrophobicContact CG-CD1 4.49Å; E719-I813 CarbonylContact O-C 3.54Å; E719-I813 WeakPolarHBondContact O-CA 3.48Å; I720-I813 HydrophobicContact CD1-CD1 4.48Å; I720-I813 HydrophobicContact CG1-CB 4.33Å; I720-I813 HydrophobicContact CG1-CD1 4.02Å; I720-I813 HydrophobicContact CG1-CG1 4.06Å; L803-I813 HydrophobicContact CD2-CD1 4.04Å; V805-I813 HydrophobicContact CG2-CD1 3.67Å; F811-I813 HydrophobicContact CD2-CB 4.49Å; F811-I813 HydrophobicContact CE2-CB 4.2Å; F811-I813 HydrophobicContact CE2-CG2 4.05Å
814T96.6Very high95.8Very high64 Ų6446.9 Ų46.939%0.39326%0.255SS..EExtended strand (participates in β ladder)trans-138.4137.3-179.445.40000110.7F718 E719F718-T814 CarbonylContact C-O 3.51Å; F718-T814 VanDerWaalsContact CA-O 3.28Å; F718-T814 WeakPolarHBondContact CA-O 3.43Å; E719-T814 PolarHBondContact N-O 2.8Å; E719-T814 PolarHBondContact O-N 2.8Å
815P94.8Very high95.7Very high95 Ų9550.5 Ų50.562%0.61727%0.274SS*.EExtended strand (participates in β ladder)trans-64143.2170.428.4-33.1000110.4R717 F718R717-P815 WeakPolarHBondContact O-CA 3.48Å; F718-P815 HydrophobicContact CD1-CB 3.94Å; F718-P815 HydrophobicContact CE1-CB 3.91Å
816I90.9Very high95.5Very high125 Ų12555.1 Ų55.164%0.64130%0.299SS*.  trans-132.40179.158167.5000113.1R717 E719R717-I816 HydrophobicContact CB-CD1 4.4Å; R717-I816 HydrophobicContact CB-CG1 3.86Å; R717-I816 HydrophobicContact CG-CD1 3.67Å; R717-I816 HydrophobicContact CG-CG1 3.64Å; R717-I816 PolarHBondContact O-N 2.81Å; E719-I816 HydrophobicContact CB-CD1 4.26Å; E719-I816 HydrophobicContact CB-CG2 3.83Å

Retrieved 816 of 816 residues in 201.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).