A0A077ZBE5_TRITR Loading...

1-phosphatidylinositol-4,5-bisphosphate phosphodi esterase gamma-1

AlphaFold DB , UniProt , Accession A0A077ZBE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 287 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.9Low67Low230 Ų230119.5 Ų119.5100%1.13362%0.618SS**  0-25.90-70-162.7-66.300113.6
2S64.8Low66.8Low99 Ų99120.9 Ų120.969%0.69262%0.619SS**Hα-helixtrans-76.4-31.1-179.370.20000115.2G4 A5 H6S2-G4 VanDerWaalsContact C-N 3.32Å; S2-G4 PolarHBondContact O-N 3.32Å; S2-A5 PolarHBondContact O-N 3.33Å; S2-H6 PolarHBondContact O-N 3.44Å; S2-H6 VanDerWaalsContact O-N 3.09Å
3E64.8Low66.8Low148 Ų148117.3 Ų117.369%0.69260%0.598SS**Hα-helixtrans-64.3-35.3178.9-75.3-170.1146.800113.1H6 R7E3-H6 PolarHBondContact O-N 2.9Å; E3-R7 WeakPolarHBondContact O-CG 3.33Å; E3-R7 PolarHBondContact O-N 3.46Å; E3-R7 VanDerWaalsContact O-N 3.07Å
4G68.7Low66.7Low46 Ų46116.9 Ų116.947%0.47459%0.593SS.*Hα-helixtrans-64.8-46.517700000112S2 H6 R7 E8S2-G4 VanDerWaalsContact C-N 3.32Å; S2-G4 PolarHBondContact O-N 3.32Å; G4-H6 VanDerWaalsContact C-N 3.33Å; G4-H6 PolarHBondContact O-N 3.39Å; G4-R7 PolarHBondContact O-N 3.35Å; G4-E8 PolarHBondContact O-N 3.1Å
5A67.5Low66.5Low50 Ų50117 Ų11741%0.41359%0.59SS.*Hα-helixtrans-62.8-38.6176.800000112.1S2 E8 I9S2-A5 PolarHBondContact O-N 3.33Å; A5-E8 PolarHBondContact O-N 3.16Å; A5-I9 WeakPolarHBondContact O-CD1 3.3Å; A5-I9 WeakPolarHBondContact O-CG1 3.5Å; A5-I9 PolarHBondContact O-N 2.69Å
6H66.2Low66.5Low124 Ų124117.6 Ų117.657%0.57459%0.587SS**Hα-helixtrans-66.1-40.1177.2-167.8-90.1000112.3S2 E3 G4 I10S2-H6 PolarHBondContact O-N 3.44Å; S2-H6 VanDerWaalsContact O-N 3.09Å; E3-H6 PolarHBondContact O-N 2.9Å; G4-H6 VanDerWaalsContact C-N 3.33Å; G4-H6 PolarHBondContact O-N 3.39Å; H6-I10 VanDerWaalsContact CE1-CD1 3.47Å; H6-I10 WeakPolarHBondContact CE1-CD1 2.79Å; H6-I10 WeakPolarHBondContact ND1-CD1 3.43Å; H6-I10 VanDerWaalsContact O-CG1 3.32Å; H6-I10 WeakPolarHBondContact O-CG1 3.15Å; H6-I10 PolarHBondContact O-N 3.49Å; H6-I10 VanDerWaalsContact O-N 3.15Å
7R69.9Low66.3Low162 Ų162113.1 Ų113.161%0.61157%0.566SS**Hα-helixtrans-64.9-44.3174.7-71.9-178.2-174.8-1662.7111.9E3 G4 I9 I10 E11E3-R7 WeakPolarHBondContact O-CG 3.33Å; E3-R7 PolarHBondContact O-N 3.46Å; E3-R7 VanDerWaalsContact O-N 3.07Å; G4-R7 PolarHBondContact O-N 3.35Å; R7-I9 VanDerWaalsContact C-N 3.32Å; R7-I9 PolarHBondContact O-N 2.99Å; R7-I10 PolarHBondContact O-N 2.93Å; R7-E11 WeakPolarHBondContact O-CG 3.26Å; R7-E11 PolarHBondContact O-N 2.88Å
8E64.4Low66.3Low140 Ų140111.4 Ų111.465%0.65456%0.556SS**Hα-helixtrans-62.5-38.8179.1-169.3175.5-174.900112.1G4 A5 E11 H12G4-E8 PolarHBondContact O-N 3.1Å; A5-E8 PolarHBondContact O-N 3.16Å; E8-E11 PolarHBondContact O-N 2.88Å; E8-H12 VanDerWaalsContact O-CB 3.26Å; E8-H12 WeakPolarHBondContact O-CB 3.32Å; E8-H12 PolarHBondContact O-N 3.37Å
9I70.7Confident66.2Low106 Ų106109.5 Ų109.554%0.54455%0.551SS.*Hα-helixtrans-63.3-46.1174.2-68.7164.1000111.1A5 R7 E11 H12 E13A5-I9 WeakPolarHBondContact O-CD1 3.3Å; A5-I9 WeakPolarHBondContact O-CG1 3.5Å; A5-I9 PolarHBondContact O-N 2.69Å; R7-I9 VanDerWaalsContact C-N 3.32Å; R7-I9 PolarHBondContact O-N 2.99Å; I9-E11 PolarHBondContact O-N 3.29Å; I9-H12 PolarHBondContact O-N 3.07Å; I9-E13 WeakPolarHBondContact O-CB 3.39Å; I9-E13 PolarHBondContact O-N 2.97Å
10I70.6Confident66.4Low74 Ų74107.1 Ų107.138%0.37954%0.542SS..Hα-helixtrans-61.2-45.1177.7-68.6165.6000110.8H6 R7 E13 H14H6-I10 VanDerWaalsContact CE1-CD1 3.47Å; H6-I10 WeakPolarHBondContact CE1-CD1 2.79Å; H6-I10 WeakPolarHBondContact ND1-CD1 3.43Å; H6-I10 VanDerWaalsContact O-CG1 3.32Å; H6-I10 WeakPolarHBondContact O-CG1 3.15Å; H6-I10 PolarHBondContact O-N 3.49Å; H6-I10 VanDerWaalsContact O-N 3.15Å; R7-I10 PolarHBondContact O-N 2.93Å; I10-E13 PolarHBondContact O-N 3.2Å; I10-H14 VanDerWaalsContact O-CB 3.28Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 2.96Å
11E71.2Confident66.8Low135 Ų135105.6 Ų105.663%0.63153%0.533SS*.Hα-helixtrans-64.4-44.2179.8-73.7176.3-174.300111.7R7 E8 I9 H14 H15R7-E11 WeakPolarHBondContact O-CG 3.26Å; R7-E11 PolarHBondContact O-N 2.88Å; E8-E11 PolarHBondContact O-N 2.88Å; I9-E11 PolarHBondContact O-N 3.29Å; E11-H14 PolarHBondContact O-N 3.45Å; E11-H15 WeakPolarHBondContact O-CB 3.47Å; E11-H15 PolarHBondContact O-N 2.85Å
12H65.1Low67.6Low137 Ų13798 Ų9863%0.63450%0.496SS*.Hα-helixtrans-63.7-42.1176.9-178.8-88.6000111.8E8 I9 H15 K16E8-H12 VanDerWaalsContact O-CB 3.26Å; E8-H12 WeakPolarHBondContact O-CB 3.32Å; E8-H12 PolarHBondContact O-N 3.37Å; I9-H12 PolarHBondContact O-N 3.07Å; H12-H15 PolarHBondContact O-N 3.38Å; H12-K16 WeakPolarHBondContact O-CB 3.45Å; H12-K16 PolarHBondContact O-N 3.41Å
13E66.5Low68Low74 Ų7499 Ų9935%0.34649%0.492SS..Hα-helixtrans-66.4-41.8176.1-173163.6-164.500111.9I9 I10 H15 K16 N17I9-E13 WeakPolarHBondContact O-CB 3.39Å; I9-E13 PolarHBondContact O-N 2.97Å; I10-E13 PolarHBondContact O-N 3.2Å; E13-H15 PolarHBondContact O-N 3.05Å; E13-K16 PolarHBondContact O-N 3.12Å; E13-N17 WeakPolarHBondContact O-CB 3.46Å; E13-N17 PolarHBondContact O-N 3.27Å; E13-N17 PolarHBondContact O-ND2 2.8Å; E13-N17 PolarHBondContact O-OD1 3.03Å
14H65.8Low69Low112 Ų11293.3 Ų93.352%0.51947%0.466SS..Hα-helixtrans-61.6-44.6174.7-171.364.4000111.9I10 E11 K16 N17 Q18I10-H14 VanDerWaalsContact O-CB 3.28Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 2.96Å; E11-H14 PolarHBondContact O-N 3.45Å; H14-K16 PolarHBondContact O-N 3.38Å; H14-N17 PolarHBondContact O-N 3.33Å; H14-Q18 PolarHBondContact CD2-NE2 3.36Å; H14-Q18 VanDerWaalsContact CD2-NE2 3.35Å; H14-Q18 PolarHBondContact NE2-NE2 3.24Å; H14-Q18 WeakPolarHBondContact O-CG 3.35Å; H14-Q18 PolarHBondContact O-N 2.7Å
15H63.5Low70.1Confident118 Ų11892.9 Ų92.955%0.54645%0.451SS..Hα-helixtrans-64-40.8176.9-174.765.5000112.5E11 H12 E13 T19E11-H15 WeakPolarHBondContact O-CB 3.47Å; E11-H15 PolarHBondContact O-N 2.85Å; H12-H15 PolarHBondContact O-N 3.38Å; E13-H15 PolarHBondContact O-N 3.05Å; H15-T19 WeakPolarHBondContact O-CB 2.89Å; H15-T19 PolarHBondContact O-N 3.16Å; H15-T19 PolarHBondContact O-OG1 2.73Å
16K65.7Low71.2Confident126 Ų12692.3 Ų92.355%0.54844%0.438SS..Hα-helixtrans-61.2-47.4174.3-176.1-174.8174.6-169.50111.1H12 E13 H14 Q18 T19 V20H12-K16 WeakPolarHBondContact O-CB 3.45Å; H12-K16 PolarHBondContact O-N 3.41Å; E13-K16 PolarHBondContact O-N 3.12Å; H14-K16 PolarHBondContact O-N 3.38Å; K16-Q18 PolarHBondContact O-N 3.37Å; K16-T19 PolarHBondContact O-N 2.88Å; K16-T19 VanDerWaalsContact O-N 3.16Å; K16-V20 WeakPolarHBondContact O-CG2 3.33Å; K16-V20 PolarHBondContact O-N 3.43Å
17N64.3Low72.4Confident42 Ų4292.4 Ų92.423%0.22544%0.44CS..Hα-helixtrans-63.3-43.2-179.7-68.2-10.1000111.4E13 H14 T19 V20 E21E13-N17 WeakPolarHBondContact O-CB 3.46Å; E13-N17 PolarHBondContact O-N 3.27Å; E13-N17 PolarHBondContact O-ND2 2.8Å; E13-N17 PolarHBondContact O-OD1 3.03Å; H14-N17 PolarHBondContact O-N 3.33Å; N17-T19 VanDerWaalsContact C-N 3.31Å; N17-T19 PolarHBondContact O-N 3.08Å; N17-V20 PolarHBondContact O-N 2.62Å; N17-E21 WeakPolarHBondContact O-CB 3.49Å; N17-E21 PolarHBondContact O-N 3.18Å
18Q66.1Low73.5Confident83 Ų8384.9 Ų84.939%0.38841%0.412SS..Hα-helixtrans-59.3-41.2173-74.1-176.81.100112.3H14 K16 L22H14-Q18 PolarHBondContact CD2-NE2 3.36Å; H14-Q18 VanDerWaalsContact CD2-NE2 3.35Å; H14-Q18 PolarHBondContact NE2-NE2 3.24Å; H14-Q18 WeakPolarHBondContact O-CG 3.35Å; H14-Q18 PolarHBondContact O-N 2.7Å; K16-Q18 PolarHBondContact O-N 3.37Å; Q18-L22 WeakPolarHBondContact O-CB 3.26Å; Q18-L22 PolarHBondContact O-N 2.8Å
19T64.2Low74.9Confident75 Ų7578.8 Ų78.846%0.4638%0.384SS..Hα-helixtrans-66.4-40.6179.6-58.20000111.6H15 K16 N17 L22 M23H15-T19 WeakPolarHBondContact O-CB 2.89Å; H15-T19 PolarHBondContact O-N 3.16Å; H15-T19 PolarHBondContact O-OG1 2.73Å; K16-T19 PolarHBondContact O-N 2.88Å; K16-T19 VanDerWaalsContact O-N 3.16Å; N17-T19 VanDerWaalsContact C-N 3.31Å; N17-T19 PolarHBondContact O-N 3.08Å; T19-L22 PolarHBondContact O-N 3.07Å; T19-M23 WeakPolarHBondContact O-CB 3.49Å; T19-M23 PolarHBondContact O-N 3.05Å
20V70.8Confident76Confident61 Ų6175.7 Ų75.737%0.3737%0.372SS..Hα-helixtrans-67.1-46.7176.5172.50000110.9K16 N17 L22 M23 N24K16-V20 WeakPolarHBondContact O-CG2 3.33Å; K16-V20 PolarHBondContact O-N 3.43Å; N17-V20 PolarHBondContact O-N 2.62Å; V20-L22 VanDerWaalsContact C-N 3.27Å; V20-L22 PolarHBondContact O-N 3.15Å; V20-M23 WeakPolarHBondContact O-CB 3.27Å; V20-M23 PolarHBondContact O-N 3.3Å; V20-M23 VanDerWaalsContact O-N 3.16Å; V20-N24 WeakPolarHBondContact O-CB 3.31Å; V20-N24 VanDerWaalsContact O-CG 3.26Å; V20-N24 PolarHBondContact O-N 3.32Å
21E73.7Confident77.1Confident76 Ų7675.2 Ų75.236%0.35537%0.368SS..Hα-helixtrans-57.9-42.3175.9-179176.4-162.200111.7N17 N24 K25 Y141N17-E21 WeakPolarHBondContact O-CB 3.49Å; N17-E21 PolarHBondContact O-N 3.18Å; E21-N24 PolarHBondContact O-N 3.2Å; E21-K25 WeakPolarHBondContact O-CB 3.33Å; E21-K25 PolarHBondContact O-N 3.26Å; E21-Y141 PolarHBondContact OE1-OH 3.24Å
22L74.5Confident78.2Confident70 Ų7068.9 Ų68.937%0.36634%0.339SS..Hα-helixtrans-63.7-43.7176.7-173.565.7000111.9Q18 T19 V20 N24 K25 Y26 L278Q18-L22 WeakPolarHBondContact O-CB 3.26Å; Q18-L22 PolarHBondContact O-N 2.8Å; T19-L22 PolarHBondContact O-N 3.07Å; V20-L22 VanDerWaalsContact C-N 3.27Å; V20-L22 PolarHBondContact O-N 3.15Å; L22-N24 VanDerWaalsContact C-N 3.35Å; L22-K25 PolarHBondContact O-N 2.76Å; L22-Y26 HydrophobicContact CD1-CD2 4.47Å; L22-Y26 HydrophobicContact CD1-CE2 3.46Å; L22-Y26 VanDerWaalsContact CD1-CE2 3.46Å; L22-Y26 WeakPolarHBondContact CD1-OH 3.19Å; L22-Y26 HydrophobicContact CD2-CE2 4.38Å; L22-Y26 HydrophobicContact CG-CD2 4.29Å; L22-Y26 HydrophobicContact CG-CE2 3.57Å; L22-Y26 WeakPolarHBondContact O-CD2 3.1Å; L22-Y26 WeakPolarHBondContact O-CE2 3.33Å; L22-Y26 PolarHBondContact O-N 3.06Å; L22-L278 HydrophobicContact CD1-CD2 3.79Å; L22-L278 HydrophobicContact CD2-CD2 3.89Å; L22-L278 HydrophobicContact CG-CD2 4.2Å
23M74.4Confident79.5Confident121 Ų12165.6 Ų65.660%0.59632%0.323SS*.Hα-helixtrans-61.1-44.4174-178.3-179.867.500111.3T19 V20 Y26 M27T19-M23 WeakPolarHBondContact O-CB 3.49Å; T19-M23 PolarHBondContact O-N 3.05Å; V20-M23 WeakPolarHBondContact O-CB 3.27Å; V20-M23 PolarHBondContact O-N 3.3Å; V20-M23 VanDerWaalsContact O-N 3.16Å; M23-Y26 PolarHBondContact O-N 2.97Å; M23-M27 PolarHBondContact O-N 2.92Å
24N86Confident80.9Confident28 Ų2864.3 Ų64.315%0.1532%0.316CS..Hα-helixtrans-62.3-45.3178.3-70.8-10.7000110.8V20 E21 L22 Y26 M27 Q28V20-N24 WeakPolarHBondContact O-CB 3.31Å; V20-N24 VanDerWaalsContact O-CG 3.26Å; V20-N24 PolarHBondContact O-N 3.32Å; E21-N24 PolarHBondContact O-N 3.2Å; L22-N24 VanDerWaalsContact C-N 3.35Å; N24-Y26 VanDerWaalsContact C-N 3.33Å; N24-Y26 PolarHBondContact O-N 3.19Å; N24-M27 PolarHBondContact O-N 2.91Å; N24-M27 VanDerWaalsContact O-N 3.15Å; N24-Q28 WeakPolarHBondContact O-CG 3.34Å; N24-Q28 PolarHBondContact O-N 2.86Å
25K90.9Very high82.1Confident36 Ų3661.2 Ų61.216%0.15730%0.302CS..Hα-helixtrans-53.9-46.1176179.4173.3-179162.40112.2E21 L22 M27 Q28 L29 E97 I99E21-K25 WeakPolarHBondContact O-CB 3.33Å; E21-K25 PolarHBondContact O-N 3.26Å; L22-K25 PolarHBondContact O-N 2.76Å; K25-M27 PolarHBondContact O-N 3.26Å; K25-Q28 WeakPolarHBondContact O-CB 3.42Å; K25-Q28 PolarHBondContact O-N 2.07Å; K25-L29 HydrophobicContact CG-CD1 4.28Å; K25-L29 VanDerWaalsContact O-CG 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.47Å; K25-L29 PolarHBondContact O-N 2.87Å; K25-E97 WeakPolarHBondContact CE-OE2 3.31Å; K25-E97 IonicContact NZ-OE1 2.59Å; K25-E97 PolarHBondContact NZ-OE1 2.81Å; K25-E97 IonicContact NZ-OE2 2.77Å; K25-E97 PolarHBondContact NZ-OE2 3.49Å; K25-I99 VanDerWaalsContact CE-CD1 3.47Å
26Y90.3Very high83.4Confident39 Ų3959.2 Ų59.215%0.15330%0.298CS..Hα-helixtrans-69-34.2179.6-68.2-52.9000114L22 M23 N24 L29 S30 L274 L278L22-Y26 HydrophobicContact CD1-CD2 4.47Å; L22-Y26 HydrophobicContact CD1-CE2 3.46Å; L22-Y26 VanDerWaalsContact CD1-CE2 3.46Å; L22-Y26 WeakPolarHBondContact CD1-OH 3.19Å; L22-Y26 HydrophobicContact CD2-CE2 4.38Å; L22-Y26 HydrophobicContact CG-CD2 4.29Å; L22-Y26 HydrophobicContact CG-CE2 3.57Å; L22-Y26 WeakPolarHBondContact O-CD2 3.1Å; L22-Y26 WeakPolarHBondContact O-CE2 3.33Å; L22-Y26 PolarHBondContact O-N 3.06Å; M23-Y26 PolarHBondContact O-N 2.97Å; N24-Y26 VanDerWaalsContact C-N 3.33Å; N24-Y26 PolarHBondContact O-N 3.19Å; Y26-L29 HydrophobicContact CD1-CD1 4.24Å; Y26-L29 HydrophobicContact CE1-CD1 4.46Å; Y26-S30 VanDerWaalsContact O-CB 3.29Å; Y26-S30 WeakPolarHBondContact O-CB 3.42Å; Y26-S30 PolarHBondContact O-N 2.83Å; Y26-L274 HydrophobicContact CD1-CD1 4.47Å; Y26-L274 HydrophobicContact CD1-CD2 3.34Å; Y26-L274 HydrophobicContact CD1-CG 4.36Å; Y26-L274 HydrophobicContact CE1-CD2 3.94Å; Y26-L274 HydrophobicContact CG-CD1 4.36Å; Y26-L274 HydrophobicContact CG-CD2 4.05Å; Y26-L278 HydrophobicContact CD2-CD1 4.28Å; Y26-L278 HydrophobicContact CE1-CD1 4.45Å; Y26-L278 HydrophobicContact CE1-CG 4.23Å; Y26-L278 HydrophobicContact CE2-CD1 3.48Å; Y26-L278 VanDerWaalsContact CE2-CD1 3.48Å; Y26-L278 HydrophobicContact CE2-CD2 3.57Å; Y26-L278 HydrophobicContact CE2-CG 3.68Å; Y26-L278 VanDerWaalsContact CZ-CD2 3.43Å; Y26-L278 WeakPolarHBondContact OH-CD2 3.25Å; Y26-L278 WeakPolarHBondContact OH-CG 3.48Å
27M91.8Very high84.7Confident125 Ų12557.6 Ų57.662%0.61630%0.296SS*.Hα-helixtrans-65.2-42.7173.5-169.360.569.400111.1M23 N24 K25 L29 S30 Q31M23-M27 PolarHBondContact O-N 2.92Å; N24-M27 PolarHBondContact O-N 2.91Å; N24-M27 VanDerWaalsContact O-N 3.15Å; K25-M27 PolarHBondContact O-N 3.26Å; M27-L29 PolarHBondContact O-N 3.02Å; M27-S30 WeakPolarHBondContact O-CB 3.42Å; M27-S30 PolarHBondContact O-N 2.82Å; M27-Q31 PolarHBondContact O-N 3.28Å
28Q93.2Very high85.9Confident5 Ų558.9 Ų58.92%0.02332%0.318CS..Hα-helixtrans-60.1-46.4177.1-65.9160.811.900111.3N24 K25 Q31 A32 Q158 E178N24-Q28 WeakPolarHBondContact O-CG 3.34Å; N24-Q28 PolarHBondContact O-N 2.86Å; K25-Q28 WeakPolarHBondContact O-CB 3.42Å; K25-Q28 PolarHBondContact O-N 2.07Å; Q28-Q31 PolarHBondContact O-N 3Å; Q28-A32 WeakPolarHBondContact O-CB 3.21Å; Q28-A32 PolarHBondContact O-N 2.82Å; Q28-Q158 HydrophobicContact CG-CG 4.22Å; Q28-E178 PolarHBondContact NE2-O 3.42Å
29L94Very high87.2Confident11 Ų1160 Ų606%0.05833%0.327CS..Hα-helixtrans-65.6-39.9176.6-66.6175.1000112.8K25 Y26 M27 A32 K33 I99 F137 A160K25-L29 HydrophobicContact CG-CD1 4.28Å; K25-L29 VanDerWaalsContact O-CG 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.47Å; K25-L29 PolarHBondContact O-N 2.87Å; Y26-L29 HydrophobicContact CD1-CD1 4.24Å; Y26-L29 HydrophobicContact CE1-CD1 4.46Å; M27-L29 PolarHBondContact O-N 3.02Å; L29-A32 PolarHBondContact O-N 3.17Å; L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 3.08Å; L29-I99 HydrophobicContact CD1-CD1 4.03Å; L29-I99 HydrophobicContact CD1-CG2 3.88Å; L29-I99 HydrophobicContact CD2-CD1 3.72Å; L29-I99 HydrophobicContact CG-CD1 4.33Å; L29-F137 HydrophobicContact CD2-CB 3.95Å; L29-F137 HydrophobicContact CD2-CD1 4.21Å; L29-F137 HydrophobicContact CD2-CG 3.99Å; L29-A160 HydrophobicContact CD2-CB 4.26Å
30S93.7Very high88.6Confident41 Ų4159.6 Ų59.629%0.28733%0.326SS..Hα-helixtrans-58.9-51.2174.8-176.90000110.2Y26 M27 A32 K33 F34Y26-S30 VanDerWaalsContact O-CB 3.29Å; Y26-S30 WeakPolarHBondContact O-CB 3.42Å; Y26-S30 PolarHBondContact O-N 2.83Å; M27-S30 WeakPolarHBondContact O-CB 3.42Å; M27-S30 PolarHBondContact O-N 2.82Å; S30-A32 VanDerWaalsContact C-N 3.33Å; S30-A32 PolarHBondContact O-N 3.35Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 2.96Å; S30-F34 WeakPolarHBondContact O-CD2 3.5Å; S30-F34 PolarHBondContact O-N 3.03Å
31Q93Very high89.6Confident64 Ų6458.5 Ų58.530%0.29933%0.328SS..Hα-helixtrans-58.4-46.8177.3-163.1-168.435.600110.8M27 Q28 K33 F34 M35 S180M27-Q31 PolarHBondContact O-N 3.28Å; Q28-Q31 PolarHBondContact O-N 3Å; Q31-K33 VanDerWaalsContact C-N 3.33Å; Q31-K33 PolarHBondContact O-N 3.01Å; Q31-F34 PolarHBondContact O-N 3.47Å; Q31-F34 VanDerWaalsContact O-N 3.14Å; Q31-M35 VanDerWaalsContact O-CG 3.29Å; Q31-M35 WeakPolarHBondContact O-CG 3.21Å; Q31-M35 PolarHBondContact O-N 3.26Å; Q31-M35 VanDerWaalsContact O-N 3.12Å; Q31-S180 PolarHBondContact NE2-O 3.3Å; Q31-S180 PolarHBondContact OE1-OG 3.03Å
32A93.8Very high90.6Very high2 Ų261 Ų612%0.01734%0.335CS..Hα-helixtrans-57.5-42.9177.800000113.3Q28 L29 S30 F34 M35 F137 A160 P162Q28-A32 WeakPolarHBondContact O-CB 3.21Å; Q28-A32 PolarHBondContact O-N 2.82Å; L29-A32 PolarHBondContact O-N 3.17Å; S30-A32 VanDerWaalsContact C-N 3.33Å; S30-A32 PolarHBondContact O-N 3.35Å; A32-F34 VanDerWaalsContact C-N 3.32Å; A32-F34 PolarHBondContact O-N 2.97Å; A32-M35 HydrophobicContact CB-CE 4.01Å; A32-M35 WeakPolarHBondContact O-CB 3.41Å; A32-M35 PolarHBondContact O-N 3.45Å; A32-F137 HydrophobicContact CB-CD1 4.33Å; A32-F137 HydrophobicContact CB-CE1 4.46Å; A32-A160 HydrophobicContact CB-CB 3.79Å; A32-A160 WeakPolarHBondContact CB-O 3.21Å; A32-P162 WeakPolarHBondContact O-CD 3.33Å; A32-P162 WeakPolarHBondContact O-CG 3.27Å
33K94.2Very high91.5Very high69 Ų6959.4 Ų59.430%0.333%0.328SS..Hα-helixtrans-58.7-45.1176.1-173.6172.2-175.8164.70111.5L29 S30 Q31 M35 V36 V43 F137L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 3.08Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 2.96Å; Q31-K33 VanDerWaalsContact C-N 3.33Å; Q31-K33 PolarHBondContact O-N 3.01Å; K33-M35 VanDerWaalsContact C-N 3.3Å; K33-M35 PolarHBondContact O-N 2.85Å; K33-V36 WeakPolarHBondContact O-CG2 3.45Å; K33-V43 WeakPolarHBondContact O-CG2 3.38Å; K33-F137 HydrophobicContact CB-CE1 3.82Å; K33-F137 HydrophobicContact CB-CZ 3.89Å; K33-F137 HydrophobicContact CD-CZ 4.27Å; K33-F137 HydrophobicContact CG-CE1 4.48Å; K33-F137 HydrophobicContact CG-CZ 4.19Å
34F94.1Very high92.4Very high46 Ų4660.8 Ų60.820%0.20234%0.337CS..Hα-helixtrans-78.4-11.3-176.7-65.7-65.6000113.9S30 Q31 A32 V36 N39 G41 V43S30-F34 WeakPolarHBondContact O-CD2 3.5Å; S30-F34 PolarHBondContact O-N 3.03Å; Q31-F34 PolarHBondContact O-N 3.47Å; Q31-F34 VanDerWaalsContact O-N 3.14Å; A32-F34 VanDerWaalsContact C-N 3.32Å; A32-F34 PolarHBondContact O-N 2.97Å; F34-V36 VanDerWaalsContact C-N 3.26Å; F34-V36 PolarHBondContact O-N 3.08Å; F34-N39 WeakPolarHBondContact O-CA 3.2Å; F34-N39 PolarHBondContact O-N 3.28Å; F34-N39 PolarHBondContact O-OD1 2.9Å; F34-G41 VanDerWaalsContact CD1-C 3.5Å; F34-G41 WeakPolarHBondContact CE1-O 3.37Å; F34-V43 HydrophobicContact CD1-CG2 3.97Å; F34-V43 HydrophobicContact CE1-CG2 4.46Å
35M91.6Very high92.7Very high48 Ų4863.4 Ų63.424%0.23635%0.347CS..Hα-helixtrans-61.6-31.9172.6-64-162.9-69.500113.3Q31 A32 K33 N37 G38 N39 A160 F161Q31-M35 VanDerWaalsContact O-CG 3.29Å; Q31-M35 WeakPolarHBondContact O-CG 3.21Å; Q31-M35 PolarHBondContact O-N 3.26Å; Q31-M35 VanDerWaalsContact O-N 3.12Å; A32-M35 HydrophobicContact CB-CE 4.01Å; A32-M35 WeakPolarHBondContact O-CB 3.41Å; A32-M35 PolarHBondContact O-N 3.45Å; K33-M35 VanDerWaalsContact C-N 3.3Å; K33-M35 PolarHBondContact O-N 2.85Å; M35-N37 PolarHBondContact O-N 2.93Å; M35-N37 VanDerWaalsContact O-N 3.16Å; M35-G38 PolarHBondContact O-N 2.68Å; M35-N39 VanDerWaalsContact CA-OD1 3.24Å; M35-N39 WeakPolarHBondContact CA-OD1 3.46Å; M35-N39 PolarHBondContact N-OD1 2.83Å; M35-A160 WeakPolarHBondContact CE-O 3.35Å; M35-F161 HydrophobicContact CE-CD1 3.93Å; M35-F161 HydrophobicContact CE-CE1 4.04Å
36V90.6Very high92.6Very high76 Ų7662.9 Ų62.946%0.46135%0.347SS..THydrogen-bonded Turntrans-55.4-37.9-174.4-177.40000113.2K33 F34 P162 S165K33-V36 WeakPolarHBondContact O-CG2 3.45Å; F34-V36 VanDerWaalsContact C-N 3.26Å; F34-V36 PolarHBondContact O-N 3.08Å; V36-P162 HydrophobicContact CG2-CB 4.14Å; V36-P162 HydrophobicContact CG2-CG 3.59Å; V36-S165 WeakPolarHBondContact CG2-OG 3.43Å
37N92.5Very high92.5Very high92 Ų9267.1 Ų67.149%0.49237%0.373SS..THydrogen-bonded Turntrans-114.943.5-176.5-16423.3000111.1M35 N39 C40 Y42M35-N37 PolarHBondContact O-N 2.93Å; M35-N37 VanDerWaalsContact O-N 3.16Å; N37-N39 VanDerWaalsContact C-N 3.35Å; N37-N39 PolarHBondContact O-N 2.91Å; N37-C40 PolarHBondContact ND2-SG 3.03Å; N37-C40 WeakPolarHBondContact O-CB 3.32Å; N37-C40 PolarHBondContact O-N 2.88Å; N37-C40 PolarHBondContact O-SG 3.14Å; N37-Y42 WeakPolarHBondContact CB-O 3.31Å; N37-Y42 PolarHBondContact ND2-O 3.23Å
38G91.5Very high92.2Very high68 Ų6861.9 Ų61.970%0.70135%0.346SS*.THydrogen-bonded Turntrans63.734.817400000114.2M35 C40M35-G38 PolarHBondContact O-N 2.68Å; G38-C40 PolarHBondContact O-N 3.44Å; G38-C40 VanDerWaalsContact O-N 3.12Å
39N91.8Very high91.9Very high107 Ų10763.1 Ų63.157%0.57235%0.353SS*.THydrogen-bonded Turntrans58.421.7-178.8-61.5-29.3000114.7F34 M35 N37 G41F34-N39 WeakPolarHBondContact O-CA 3.2Å; F34-N39 PolarHBondContact O-N 3.28Å; F34-N39 PolarHBondContact O-OD1 2.9Å; M35-N39 VanDerWaalsContact CA-OD1 3.24Å; M35-N39 WeakPolarHBondContact CA-OD1 3.46Å; M35-N39 PolarHBondContact N-OD1 2.83Å; N37-N39 VanDerWaalsContact C-N 3.35Å; N37-N39 PolarHBondContact O-N 2.91Å; N39-G41 PolarHBondContact O-N 3.15Å; N39-G41 VanDerWaalsContact O-N 3.11Å
40C93.9Very high91.6Very high66 Ų6667.2 Ų67.245%0.44638%0.375SS..  trans-71.2-5.5-177.671.90000114.6N37 G38 Y42N37-C40 PolarHBondContact ND2-SG 3.03Å; N37-C40 WeakPolarHBondContact O-CB 3.32Å; N37-C40 PolarHBondContact O-N 2.88Å; N37-C40 PolarHBondContact O-SG 3.14Å; G38-C40 PolarHBondContact O-N 3.44Å; G38-C40 VanDerWaalsContact O-N 3.12Å; C40-Y42 VanDerWaalsContact C-N 3.31Å; C40-Y42 WeakPolarHBondContact O-CD2 3.48Å; C40-Y42 PolarHBondContact O-N 3.33Å; C40-Y42 PolarHBondContact SG-N 3.41Å; C40-Y42 PolarHBondContact SG-O 3.4Å
41G93.1Very high91.2Very high39 Ų3967 Ų6740%0.40237%0.374SS..SBendtrans81.33.2-177.400000114.9F34 N39F34-G41 VanDerWaalsContact CD1-C 3.5Å; F34-G41 WeakPolarHBondContact CE1-O 3.37Å; N39-G41 PolarHBondContact O-N 3.15Å; N39-G41 VanDerWaalsContact O-N 3.11Å
42Y94.6Very high90.9Very high127 Ų12772.6 Ų72.650%0.49840%0.4SS..  trans-129.6125.7178-63.5-91.7000111.3N37 C40 K264N37-Y42 WeakPolarHBondContact CB-O 3.31Å; N37-Y42 PolarHBondContact ND2-O 3.23Å; C40-Y42 VanDerWaalsContact C-N 3.31Å; C40-Y42 WeakPolarHBondContact O-CD2 3.48Å; C40-Y42 PolarHBondContact O-N 3.33Å; C40-Y42 PolarHBondContact SG-N 3.41Å; C40-Y42 PolarHBondContact SG-O 3.4Å; Y42-K264 HydrophobicContact CE1-CG 4.13Å; Y42-K264 WeakPolarHBondContact OH-CE 3.15Å
43V93.3Very high90.4Very high38 Ų3879 Ų7923%0.2343%0.429CS..  trans-129.4131.2174.3-178.10000107.5K33 F34 K45K33-V43 WeakPolarHBondContact O-CG2 3.38Å; F34-V43 HydrophobicContact CD1-CG2 3.97Å; F34-V43 HydrophobicContact CE1-CG2 4.46Å; V43-K45 PolarHBondContact O-N 2.9Å
44L92.7Very high89.8Confident149 Ų14977.7 Ų77.778%0.7842%0.422SS*.PPolyproline II helixtrans-63.5134.4178-173.862.3000109.3
45K91.4Very high89.1Confident84 Ų8477.9 Ų77.937%0.36543%0.426SS..PPolyproline II helixtrans-72.4142.7172.6-67-165.4-63.4157.20109.1V43 L49 I265V43-K45 PolarHBondContact O-N 2.9Å; K45-L49 HydrophobicContact CB-CB 4.38Å; K45-L49 HydrophobicContact CB-CD1 4.47Å; K45-L49 HydrophobicContact CD-CB 4.49Å; K45-L49 PolarHBondContact NZ-O 2.74Å; K45-I265 HydrophobicContact CD-CD1 4.42Å; K45-I265 HydrophobicContact CG-CD1 4.2Å
46P89.5Confident88.3Confident24 Ų2478 Ų7816%0.15643%0.43CS..PPolyproline II helixtrans-46.3144163.4-33.238.5000113.3F48 L49 E134 L135P46-F48 VanDerWaalsContact C-N 3.27Å; P46-F48 HydrophobicContact CB-CD1 3.71Å; P46-F48 HydrophobicContact CB-CE1 3.31Å; P46-F48 HydrophobicContact CB-CE2 4.35Å; P46-F48 HydrophobicContact CB-CG 4.39Å; P46-F48 HydrophobicContact CB-CZ 3.66Å; P46-F48 HydrophobicContact CG-CE1 4.11Å; P46-F48 HydrophobicContact CG-CZ 4.13Å; P46-F48 PolarHBondContact O-N 3.28Å; P46-L49 HydrophobicContact CB-CD1 4.39Å; P46-L49 HydrophobicContact CB-CG 4.23Å; P46-L49 HydrophobicContact CG-CD1 4.19Å; P46-L49 WeakPolarHBondContact O-CB 2.94Å; P46-L49 PolarHBondContact O-N 2.8Å; P46-E134 VanDerWaalsContact CB-OE2 3.27Å; P46-E134 WeakPolarHBondContact CB-OE2 2.89Å; P46-E134 HydrophobicContact CG-CB 3.91Å; P46-L135 HydrophobicContact CG-CD2 4.26Å
47D88.1Confident87.8Confident129 Ų12982.5 Ų82.569%0.6945%0.446SS*.G310 helixtrans-60.5-36.8-175.1-70.1-22000112.2L49 L50 S51D47-L49 PolarHBondContact O-N 2.88Å; D47-L50 WeakPolarHBondContact O-CA 3.31Å; D47-L50 VanDerWaalsContact O-CB 3.32Å; D47-L50 WeakPolarHBondContact O-CB 3.3Å; D47-L50 PolarHBondContact O-N 2.97Å; D47-S51 PolarHBondContact O-N 3.22Å
48F85.7Confident87.1Confident14 Ų1484.1 Ų84.16%0.06145%0.448CS..G310 helixtrans-65.7-25.5177.765.3-97.6000113P46 L50 S51 Y54 P64 E134 L135P46-F48 VanDerWaalsContact C-N 3.27Å; P46-F48 HydrophobicContact CB-CD1 3.71Å; P46-F48 HydrophobicContact CB-CE1 3.31Å; P46-F48 HydrophobicContact CB-CE2 4.35Å; P46-F48 HydrophobicContact CB-CG 4.39Å; P46-F48 HydrophobicContact CB-CZ 3.66Å; P46-F48 HydrophobicContact CG-CE1 4.11Å; P46-F48 HydrophobicContact CG-CZ 4.13Å; P46-F48 PolarHBondContact O-N 3.28Å; F48-L50 PolarHBondContact O-N 3.34Å; F48-S51 WeakPolarHBondContact O-CB 3.46Å; F48-S51 PolarHBondContact O-N 2.88Å; F48-Y54 HydrophobicContact CD2-CD2 4.06Å; F48-Y54 HydrophobicContact CD2-CE2 4.18Å; F48-Y54 HydrophobicContact CE2-CE2 4.28Å; F48-Y54 WeakPolarHBondContact O-CB 3.45Å; F48-P64 HydrophobicContact CB-CG 4.12Å; F48-E134 HydrophobicContact CE1-CB 4.23Å; F48-E134 WeakPolarHBondContact CE1-OE2 3.42Å; F48-E134 HydrophobicContact CZ-CB 4.45Å; F48-L135 HydrophobicContact CE2-CD1 3.92Å; F48-L135 HydrophobicContact CE2-CG 4.34Å; F48-L135 HydrophobicContact CZ-CD1 3.97Å; F48-L135 HydrophobicContact CZ-CD2 4.29Å; F48-L135 HydrophobicContact CZ-CG 3.92Å
49L87.5Confident86Confident31 Ų3181.4 Ų81.416%0.16242%0.419CS..G310 helixtrans-77.3-1.7172.8-63.1-177.5000113.5K45 P46 D47 Y54 L135K45-L49 HydrophobicContact CB-CB 4.38Å; K45-L49 HydrophobicContact CB-CD1 4.47Å; K45-L49 HydrophobicContact CD-CB 4.49Å; K45-L49 PolarHBondContact NZ-O 2.74Å; P46-L49 HydrophobicContact CB-CD1 4.39Å; P46-L49 HydrophobicContact CB-CG 4.23Å; P46-L49 HydrophobicContact CG-CD1 4.19Å; P46-L49 WeakPolarHBondContact O-CB 2.94Å; P46-L49 PolarHBondContact O-N 2.8Å; D47-L49 PolarHBondContact O-N 2.88Å; L49-Y54 HydrophobicContact CD2-CD1 4.06Å; L49-Y54 HydrophobicContact CD2-CD2 3.95Å; L49-Y54 HydrophobicContact CD2-CE1 3.61Å; L49-Y54 HydrophobicContact CD2-CE2 3.48Å; L49-Y54 VanDerWaalsContact CD2-CE2 3.48Å; L49-Y54 HydrophobicContact CD2-CG 4.22Å; L49-L135 HydrophobicContact CD1-CD2 3.72Å; L49-L135 HydrophobicContact CG-CD2 4.45Å
50L87.1Confident84.9Confident97 Ų9781.1 Ų81.151%0.50841%0.414SS..G310 helixtrans-103.1-11.9174-59.2171.5000111.8D47 F48D47-L50 WeakPolarHBondContact O-CA 3.31Å; D47-L50 VanDerWaalsContact O-CB 3.32Å; D47-L50 WeakPolarHBondContact O-CB 3.3Å; D47-L50 PolarHBondContact O-N 2.97Å; F48-L50 PolarHBondContact O-N 3.34Å
51S86.1Confident83.7Confident38 Ų3882.9 Ų82.927%0.26642%0.423SS..SBendtrans-74.4137.2178.3155.90000111D47 F48 Q53 Y54D47-S51 PolarHBondContact O-N 3.22Å; F48-S51 WeakPolarHBondContact O-CB 3.46Å; F48-S51 PolarHBondContact O-N 2.88Å; S51-Q53 PolarHBondContact O-N 3.23Å; S51-Q53 WeakPolarHBondContact OG-CB 3.42Å; S51-Q53 PolarHBondContact OG-N 3.48Å; S51-Q53 VanDerWaalsContact OG-N 3.15Å; S51-Q53 PolarHBondContact OG-OE1 3.21Å; S51-Y54 WeakPolarHBondContact O-CB 2.91Å; S51-Y54 PolarHBondContact O-N 3.48Å
52E85.3Confident82.2Confident181 Ų18183.4 Ų83.485%0.84642%0.416SS*.THydrogen-bonded Turntrans-64.8-18.4174.7-64.5-64.4155.400112.7Y54E52-Y54 VanDerWaalsContact C-N 3.34Å
53Q83.3Confident80.8Confident135 Ų13578.4 Ų78.463%0.63140%0.399SS*.THydrogen-bonded Turntrans-77.9-23.7178.8-64.572.927.200111.3S51 D55 I62S51-Q53 PolarHBondContact O-N 3.23Å; S51-Q53 WeakPolarHBondContact OG-CB 3.42Å; S51-Q53 PolarHBondContact OG-N 3.48Å; S51-Q53 VanDerWaalsContact OG-N 3.15Å; S51-Q53 PolarHBondContact OG-OE1 3.21Å; Q53-D55 PolarHBondContact O-N 3.45Å; Q53-D55 VanDerWaalsContact O-N 3.16Å; Q53-I62 HydrophobicContact CB-CD1 3.88Å; Q53-I62 WeakPolarHBondContact O-CD1 3.23Å
54Y81.5Confident79.7Confident42 Ų4281.2 Ų81.217%0.16542%0.418CS..  trans-61.5116.4-174.5176.7-95.9000112.4F48 L49 S51 E52 P56 P59F48-Y54 HydrophobicContact CD2-CD2 4.06Å; F48-Y54 HydrophobicContact CD2-CE2 4.18Å; F48-Y54 HydrophobicContact CE2-CE2 4.28Å; F48-Y54 WeakPolarHBondContact O-CB 3.45Å; L49-Y54 HydrophobicContact CD2-CD1 4.06Å; L49-Y54 HydrophobicContact CD2-CD2 3.95Å; L49-Y54 HydrophobicContact CD2-CE1 3.61Å; L49-Y54 HydrophobicContact CD2-CE2 3.48Å; L49-Y54 VanDerWaalsContact CD2-CE2 3.48Å; L49-Y54 HydrophobicContact CD2-CG 4.22Å; S51-Y54 WeakPolarHBondContact O-CB 2.91Å; S51-Y54 PolarHBondContact O-N 3.48Å; E52-Y54 VanDerWaalsContact C-N 3.34Å; Y54-P56 HydrophobicContact CE1-CB 4.06Å; Y54-P59 HydrophobicContact CE2-CB 4.22Å
55D79.9Confident78.9Confident51 Ų5174.4 Ų74.427%0.27338%0.383SS..  trans-98.7113.9173.9-175.7-3000109.9Q53 E57 K58Q53-D55 PolarHBondContact O-N 3.45Å; Q53-D55 VanDerWaalsContact O-N 3.16Å; D55-E57 PolarHBondContact O-N 2.85Å; D55-E57 WeakPolarHBondContact OD1-CB 3.44Å; D55-E57 PolarHBondContact OD1-N 2.82Å; D55-K58 HydrophobicContact CB-CB 4.21Å; D55-K58 CarbonylContact O-C 3.47Å; D55-K58 PolarHBondContact O-N 2.83Å
56P75.9Confident78.6Confident49 Ų4977.4 Ų77.432%0.31840%0.396SS..THydrogen-bonded Turntrans-63.4-22.2176.627.4-35000113.3Y54 K58 M276Y54-P56 HydrophobicContact CE1-CB 4.06Å; P56-K58 VanDerWaalsContact C-N 3.32Å; P56-M276 HydrophobicContact CB-SD 3.7Å
57E78.5Confident78.7Confident171 Ų17176.9 Ų76.980%0.79939%0.393SS*.THydrogen-bonded Turntrans-81.1-18.1176-57.5-167152.100112.1D55 P59D55-E57 PolarHBondContact O-N 2.85Å; D55-E57 WeakPolarHBondContact OD1-CB 3.44Å; D55-E57 PolarHBondContact OD1-N 2.82Å; E57-P59 VanDerWaalsContact C-CD 3.47Å
58K77.8Confident79.1Confident126 Ų12671 Ų7155%0.54836%0.361SS..  trans-133.557.9-179.6-58.2178.8-175.3167.80111.5D55 P56 E60 T61D55-K58 HydrophobicContact CB-CB 4.21Å; D55-K58 CarbonylContact O-C 3.47Å; D55-K58 PolarHBondContact O-N 2.83Å; P56-K58 VanDerWaalsContact C-N 3.32Å; K58-E60 PolarHBondContact O-N 2.89Å; K58-E60 VanDerWaalsContact O-N 3.08Å; K58-T61 WeakPolarHBondContact CB-OG1 3.34Å; K58-T61 PolarHBondContact O-N 3.01Å; K58-T61 PolarHBondContact O-OG1 3.35Å; K58-T61 VanDerWaalsContact O-OG1 3.05Å
59P69.2Low79.6Confident12 Ų1271 Ų718%0.07836%0.363CS..G310 helixtrans-62.9-23.7-172.727.6-35.8000112.9Y54 E57 T61 L101Y54-P59 HydrophobicContact CE2-CB 4.22Å; E57-P59 VanDerWaalsContact C-CD 3.47Å; P59-T61 VanDerWaalsContact C-N 3.27Å; P59-T61 PolarHBondContact O-N 2.84Å; P59-L101 HydrophobicContact CB-CD1 4.02Å; P59-L101 HydrophobicContact CB-CD2 3.47Å; P59-L101 VanDerWaalsContact CB-CD2 3.47Å; P59-L101 HydrophobicContact CB-CG 4.37Å; P59-L101 HydrophobicContact CG-CD1 4.35Å; P59-L101 HydrophobicContact CG-CD2 3.67Å; P59-L101 HydrophobicContact CG-CG 4.49Å
60E69Low80.1Confident100 Ų10069.6 Ų69.647%0.46736%0.355SS..G310 helixtrans-68.4-23.3179-58.1-167.1-136.500113.5K58 I62 C103 K131K58-E60 PolarHBondContact O-N 2.89Å; K58-E60 VanDerWaalsContact O-N 3.08Å; E60-I62 VanDerWaalsContact C-N 3.31Å; E60-I62 PolarHBondContact O-N 3.02Å; E60-C103 HydrophobicContact CG-CB 4.37Å; E60-C103 WeakPolarHBondContact OE1-CB 3.21Å; E60-K131 IonicContact OE2-NZ 2.96Å; E60-K131 PolarHBondContact OE2-NZ 2.77Å
61T67.8Low80.6Confident104 Ų10466.5 Ų66.564%0.63834%0.34SS*.G310 helixtrans-73.3-27.4-172.9-39.30000112K58 P59K58-T61 WeakPolarHBondContact CB-OG1 3.34Å; K58-T61 PolarHBondContact O-N 3.01Å; K58-T61 PolarHBondContact O-OG1 3.35Å; K58-T61 VanDerWaalsContact O-OG1 3.05Å; P59-T61 VanDerWaalsContact C-N 3.27Å; P59-T61 PolarHBondContact O-N 2.84Å
62I61Low81.2Confident50 Ų5064.7 Ų64.726%0.25633%0.328SS..G310 helixtrans-135.331.2-168.1-52160.2000110.2Q53 E60 P64Q53-I62 HydrophobicContact CB-CD1 3.88Å; Q53-I62 WeakPolarHBondContact O-CD1 3.23Å; E60-I62 VanDerWaalsContact C-N 3.31Å; E60-I62 PolarHBondContact O-N 3.02Å; I62-P64 VanDerWaalsContact C-CD 3.42Å; I62-P64 WeakPolarHBondContact O-CD 3.32Å
63C66.6Low81.9Confident21 Ų2158.6 Ų58.614%0.14230%0.299CS..  trans-93.591.4167.1-172.70000108.4S65 C132C63-S65 PolarHBondContact O-N 2.86Å; C63-S65 WeakPolarHBondContact SG-CB 3.46Å; C63-C132 HydrophobicContact CB-CB 4.14Å; C63-C132 WeakPolarHBondContact CB-SG 3.49Å; C63-C132 WeakPolarHBondContact SG-CB 3.41Å; C63-C132 CovalentContact SG-SG 2.07Å; C63-C132 PolarHBondContact SG-SG 3.41Å
64P70.2Confident82.6Confident98 Ų9852.2 Ų52.264%0.63627%0.269SS*.  trans-70.514.917134.5-39.2000112.2F48 I62F48-P64 HydrophobicContact CB-CG 4.12Å; I62-P64 VanDerWaalsContact C-CD 3.42Å; I62-P64 WeakPolarHBondContact O-CD 3.32Å
65S76.1Confident83.4Confident6 Ų651.3 Ų51.34%0.04227%0.267CS..  trans-69.9150.4-177.6-159.10000110.1C63 S67 E134C63-S65 PolarHBondContact O-N 2.86Å; C63-S65 WeakPolarHBondContact SG-CB 3.46Å; S65-S67 PolarHBondContact O-N 3.47Å; S65-E134 WeakPolarHBondContact CB-OE1 3.42Å; S65-E134 PolarHBondContact OG-OE1 3.33Å
66K85.5Confident84.3Confident147 Ų14749.8 Ų49.864%0.63926%0.262SS*.  trans-76.4111.5176.2-64.1179.4-178.8-179.90107.2P133 Y196K66-P133 WeakPolarHBondContact O-CG 3.4Å; K66-Y196 HydrophobicContact CB-CD1 4.32Å
67S91.6Very high85.3Confident13 Ų1347.7 Ų47.79%0.09125%0.249CC..  trans-63.8150.4175.155.10000110.1S65 V130 Q197S65-S67 PolarHBondContact O-N 3.47Å; S67-V130 VanDerWaalsContact CA-O 3.31Å; S67-V130 WeakPolarHBondContact CA-O 3.44Å; S67-Q197 PolarHBondContact O-N 3.45Å; S67-Q197 WeakPolarHBondContact OG-CB 3.44Å; S67-Q197 PolarHBondContact OG-OE1 3.34Å
68I95.3Very high86.2Confident4 Ų445.2 Ų45.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-130.6151.9-18064.9168.6000110.7L70 V130 P133 I163 I194 Q195 Y196I68-L70 HydrophobicContact CD1-CB 4.27Å; I68-V130 HydrophobicContact CD1-CB 4.5Å; I68-V130 HydrophobicContact CG1-CB 3.87Å; I68-V130 HydrophobicContact CG1-CG2 4.47Å; I68-V130 PolarHBondContact N-O 3.35Å; I68-V130 PolarHBondContact O-N 2.85Å; I68-P133 HydrophobicContact CD1-CB 4.03Å; I68-P133 HydrophobicContact CG1-CB 4.26Å; I68-P133 HydrophobicContact CG1-CG 4.49Å; I68-P133 HydrophobicContact CG2-CG 4.41Å; I68-I163 HydrophobicContact CD1-CG2 3.57Å; I68-I194 HydrophobicContact CB-CG2 4.34Å; I68-I194 HydrophobicContact CD1-CG2 4.1Å; I68-I194 HydrophobicContact CG2-CG2 4.25Å; I68-Q195 CarbonylContact C-O 3.16Å; I68-Q195 WeakPolarHBondContact CA-O 3.48Å; I68-Y196 HydrophobicContact CG2-CD1 3.56Å; I68-Y196 HydrophobicContact CG2-CE1 3.81Å; I68-Y196 HydrophobicContact CG2-CG 4.27Å
69V97Very high87.1Confident16 Ų1642.8 Ų42.810%0.09722%0.223CC..EExtended strand (participates in β ladder)trans-97.5115.4157.6-173.10000106.7E127 F128 Q195 Q197V69-E127 HydrophobicContact CG1-CG 3.43Å; V69-E127 VanDerWaalsContact CG1-CG 3.43Å; V69-F128 WeakPolarHBondContact CA-O 3.44Å; V69-Q195 HydrophobicContact CB-CB 4.31Å; V69-Q195 PolarHBondContact N-O 2.88Å; V69-Q195 PolarHBondContact O-N 3.44Å; V69-Q197 HydrophobicContact CG2-CG 4Å
70L97.7Very high88.3Confident0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-102.2119.8175.2174.975.3000108.4I68 V72 I98 F128 L138 I163 V192 I194I68-L70 HydrophobicContact CD1-CB 4.27Å; L70-V72 HydrophobicContact CD1-CG2 4.29Å; L70-V72 HydrophobicContact CD2-CG2 3.92Å; L70-V72 HydrophobicContact CG-CG2 3.84Å; L70-I98 HydrophobicContact CD2-CD1 3.83Å; L70-F128 HydrophobicContact CB-CB 4.33Å; L70-F128 HydrophobicContact CD2-CD2 4.37Å; L70-F128 PolarHBondContact N-O 3.16Å; L70-F128 PolarHBondContact O-N 2.84Å; L70-L138 HydrophobicContact CD2-CD1 4.39Å; L70-L138 HydrophobicContact CD2-CD2 4.35Å; L70-I163 HydrophobicContact CD2-CD1 3.8Å; L70-V192 HydrophobicContact CD1-CG1 3.71Å; L70-I194 HydrophobicContact CD1-CD1 4.41Å; L70-I194 HydrophobicContact CD1-CG1 3.77Å
71T98.2Very high89.3Confident32 Ų3240.8 Ų40.820%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-108123.6173.4-540000108.9F126 V192 D193T71-F126 CarbonylContact C-O 3.58Å; T71-F126 WeakPolarHBondContact CA-O 3.19Å; T71-V192 WeakPolarHBondContact O-CA 2.78Å; T71-D193 PolarHBondContact N-O 3.42Å; T71-D193 PolarHBondContact O-N 3.42Å
72V98.4Very high90.1Very high0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-120.6116.5-180-1760000108.6L70 V96 H125 F126 F128 L138 F140L70-V72 HydrophobicContact CD1-CG2 4.29Å; L70-V72 HydrophobicContact CD2-CG2 3.92Å; L70-V72 HydrophobicContact CG-CG2 3.84Å; V72-V96 HydrophobicContact CG1-CG1 4.43Å; V72-H125 CarbonylContact O-C 3.57Å; V72-H125 WeakPolarHBondContact O-CA 3.35Å; V72-F126 PolarHBondContact N-O 2.78Å; V72-F126 PolarHBondContact O-N 3.39Å; V72-F128 HydrophobicContact CB-CE2 4.46Å; V72-F128 HydrophobicContact CG2-CD2 4.41Å; V72-F128 HydrophobicContact CG2-CE2 4.25Å; V72-L138 HydrophobicContact CG2-CD1 4.36Å; V72-L138 HydrophobicContact CG2-CD2 4Å; V72-F140 HydrophobicContact CG1-CE1 3.89Å; V72-F140 HydrophobicContact CG1-CZ 4Å
73E98.5Very high91Very high54 Ų5440.9 Ų40.925%0.25221%0.209SC..EExtended strand (participates in β ladder)trans-99.3119.3171.1-173.4-175.6175.800109.6I75 E124 H125 L190 H191E73-I75 HydrophobicContact CG-CG1 3.89Å; E73-E124 CarbonylContact C-O 3.44Å; E73-E124 WeakPolarHBondContact CA-O 3.33Å; E73-H125 HydrophobicContact CB-CB 4.2Å; E73-H125 HydrophobicContact CG-CB 4.31Å; E73-L190 CarbonylContact O-C 3.55Å; E73-L190 WeakPolarHBondContact O-CA 3.03Å; E73-H191 HydrophobicContact CB-CB 4.09Å; E73-H191 PolarHBondContact N-O 2.93Å; E73-H191 PolarHBondContact O-N 2.86Å; E73-H191 IonicContact OE2-ND1 2.73Å
74V98.5Very high91.8Very high0 Ų042.9 Ų42.90%022%0.218CC..EExtended strand (participates in β ladder)trans-89.7101.5172.2-175.10000107.7V94 V96 T110 W122 N123 E124 F126 L190V74-V94 HydrophobicContact CG1-CB 4.26Å; V74-V94 HydrophobicContact CG1-CG1 4.35Å; V74-V94 HydrophobicContact CG1-CG2 4.15Å; V74-V94 HydrophobicContact CG2-CG1 4.47Å; V74-V96 HydrophobicContact CG2-CG2 3.69Å; V74-T110 HydrophobicContact CB-CG2 4.15Å; V74-T110 HydrophobicContact CG1-CG2 4.23Å; V74-T110 HydrophobicContact CG2-CG2 4.38Å; V74-W122 HydrophobicContact CG1-CD2 4.29Å; V74-W122 HydrophobicContact CG1-CE3 3.79Å; V74-W122 HydrophobicContact CG1-CZ3 4.36Å; V74-N123 WeakPolarHBondContact O-CA 3.4Å; V74-N123 PolarHBondContact O-N 3.5Å; V74-E124 PolarHBondContact N-O 2.97Å; V74-E124 PolarHBondContact O-N 3.5Å; V74-F126 HydrophobicContact CG2-CD2 4.34Å; V74-F126 HydrophobicContact CG2-CE2 4.05Å; V74-L190 HydrophobicContact CB-CD2 4.24Å; V74-L190 HydrophobicContact CG1-CD2 4.25Å; V74-L190 HydrophobicContact CG2-CD2 3.99Å
75I98.5Very high92.3Very high24 Ų2446.9 Ų46.912%0.12323%0.226CC..EExtended strand (participates in β ladder)trans-84.7-61.9-172.4-60.3169.4000109.5E73 W122 N123 Y170 L189 H191E73-I75 HydrophobicContact CG-CG1 3.89Å; I75-W122 PolarHBondContact O-N 2.95Å; I75-N123 WeakPolarHBondContact CG2-OD1 3.18Å; I75-N123 PolarHBondContact O-N 2.92Å; I75-Y170 HydrophobicContact CD1-CD1 3.79Å; I75-Y170 HydrophobicContact CD1-CE1 3.66Å; I75-L189 HydrophobicContact CB-CD2 4.33Å; I75-L189 HydrophobicContact CB-CG 4.22Å; I75-L189 WeakPolarHBondContact CB-O 3.45Å; I75-L189 HydrophobicContact CD1-CD2 4.48Å; I75-L189 HydrophobicContact CD1-CG 4.2Å; I75-L189 HydrophobicContact CG2-CD2 4.02Å; I75-L189 HydrophobicContact CG2-CG 4.46Å; I75-L189 PolarHBondContact N-O 2.96Å; I75-H191 HydrophobicContact CD1-CB 3.92Å
76A98.3Very high92.6Very high18 Ų1851.4 Ų51.415%0.14926%0.257CS..EExtended strand (participates in β ladder)trans-153.2165.6-173.400000112P120 M121 L189A76-P120 CarbonylContact C-O 3.55Å; A76-P120 WeakPolarHBondContact CA-O 3.03Å; A76-P120 WeakPolarHBondContact CB-O 3.43Å; A76-M121 HydrophobicContact CB-CG 4.15Å; A76-L189 PolarHBondContact N-O 3.1Å; A76-L189 PolarHBondContact O-N 3.01Å
77G97.9Very high92.5Very high6 Ų649.8 Ų49.86%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-123.5167.7172.100000111.2H119 P120 A187G77-H119 WeakPolarHBondContact O-CA 3.41Å; G77-P120 PolarHBondContact N-O 3.33Å; G77-A187 CarbonylContact C-O 3.43Å; G77-A187 WeakPolarHBondContact CA-O 3.4Å
78R97.4Very high92.2Very high118 Ų11851.5 Ų51.545%0.44527%0.27SS..EExtended strand (participates in β ladder)trans-143.4146.7169.671.7-176.6-171.4-162.4-3.3111.6L80 L118 L185 S186 A187R78-L80 PolarHBondContact O-N 3.2Å; R78-L118 VanDerWaalsContact CA-O 3.26Å; R78-L118 WeakPolarHBondContact CA-O 3.29Å; R78-L185 WeakPolarHBondContact CG-O 3.38Å; R78-L185 PolarHBondContact NE-O 3.46Å; R78-S186 WeakPolarHBondContact O-CA 3.37Å; R78-A187 HydrophobicContact CG-CB 4.17Å; R78-A187 PolarHBondContact N-O 2.83Å; R78-A187 PolarHBondContact O-N 3.5Å
79H96.1Very high91.9Very high76 Ų7656.6 Ų56.635%0.35230%0.296SS..SBendtrans56.230.4173.1-6271.1000114.7S81 G117 L118 L185 S186H79-S81 PolarHBondContact O-N 3.47Å; H79-G117 PolarHBondContact N-O 3.46Å; H79-L118 PolarHBondContact N-O 3Å; H79-L118 VanDerWaalsContact N-O 3.08Å; H79-L185 HydrophobicContact CB-CB 4.07Å; H79-S186 PolarHBondContact O-OG 3.32Å
80L94.7Very high91.6Very high4 Ų456 Ų562%0.02129%0.293CS..  trans-73.2110175.1-52.2-175.8000108.7R78 V90 P92 G117 P120 W122 V142 I156 L175R78-L80 PolarHBondContact O-N 3.2Å; L80-V90 WeakPolarHBondContact O-CG2 3.41Å; L80-P92 HydrophobicContact CD1-CB 3.76Å; L80-P92 HydrophobicContact CD1-CG 4.1Å; L80-G117 WeakPolarHBondContact CA-O 3.44Å; L80-G117 WeakPolarHBondContact CB-O 3.28Å; L80-G117 PolarHBondContact N-O 3.41Å; L80-G117 CarbonylContact O-C 3.52Å; L80-G117 VanDerWaalsContact O-CA 3.22Å; L80-G117 WeakPolarHBondContact O-CA 3.47Å; L80-P120 HydrophobicContact CD1-CG 3.75Å; L80-P120 HydrophobicContact CG-CG 4.48Å; L80-W122 HydrophobicContact CD1-CH2 3.79Å; L80-V142 HydrophobicContact CD1-CG1 4Å; L80-I156 HydrophobicContact CB-CG2 4.18Å; L80-L175 HydrophobicContact CD2-CD1 3.31Å
81S89.3Confident91.4Very high66 Ų6656 Ų5646%0.46229%0.293SS..  trans-142147-178.559.20000110.9H79H79-S81 PolarHBondContact O-N 3.47Å
82R84.6Confident91.3Very high31 Ų3154.5 Ų54.512%0.11728%0.283CS..  trans-71153.4172.2-77.1171.2-60.2-162.80.3110.2D84 K87 G88 V90 D144R82-D84 PolarHBondContact O-N 3.31Å; R82-K87 VanDerWaalsContact CZ-CB 3.41Å; R82-K87 PolarHBondContact NH2-O 2.96Å; R82-G88 PolarHBondContact NH2-O 2.77Å; R82-V90 HydrophobicContact CB-CG1 4.26Å; R82-V90 HydrophobicContact CG-CG1 3.54Å; R82-D144 WeakPolarHBondContact CD-OD2 3.22Å; R82-D144 IonicContact CZ-OD2 3.21Å; R82-D144 IonicContact NE-OD2 3.5Å; R82-D144 IonicContact NH1-OD2 2.67Å; R82-D144 PolarHBondContact NH1-OD2 3.27Å
83K80.2Confident91.2Very high125 Ų12554.7 Ų54.754%0.54329%0.285SS..SBendtrans-56.1-43.8165.6-66.6178.8-178.4172.90110.7K85 E178K83-K85 PolarHBondContact O-N 3.18Å; K83-E178 IonicContact NZ-OE1 2.58Å; K83-E178 PolarHBondContact NZ-OE1 3.39Å
84D83.2Confident91.1Very high63 Ų6352.1 Ų52.134%0.33727%0.273SS..  trans-89.199176.3-1741.8000111.3R82 S86 K87R82-D84 PolarHBondContact O-N 3.31Å; D84-S86 VanDerWaalsContact CG-OG 3.25Å; D84-S86 PolarHBondContact O-N 2.59Å; D84-S86 VanDerWaalsContact OD1-CB 3.25Å; D84-S86 WeakPolarHBondContact OD1-CB 3.46Å; D84-S86 PolarHBondContact OD1-N 2.95Å; D84-S86 PolarHBondContact OD1-OG 2.82Å; D84-S86 PolarHBondContact OD2-OG 2.98Å; D84-K87 HydrophobicContact CB-CD 4.36Å; D84-K87 WeakPolarHBondContact OD2-CE 3.44Å
85K82.1Confident91.1Very high181 Ų18153.7 Ų53.779%0.78728%0.28SS*.G310 helixtrans-71.8-10.9177.9-61.7-175.2-179.8-177.70113.5K83 K87K83-K85 PolarHBondContact O-N 3.18Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.76Å
86S81.9Confident91Very high101 Ų10152.6 Ų52.671%0.70627%0.274SS*.G310 helixtrans-75-19.8-177.973.40000113.4D84 G88D84-S86 VanDerWaalsContact CG-OG 3.25Å; D84-S86 PolarHBondContact O-N 2.59Å; D84-S86 VanDerWaalsContact OD1-CB 3.25Å; D84-S86 WeakPolarHBondContact OD1-CB 3.46Å; D84-S86 PolarHBondContact OD1-N 2.95Å; D84-S86 PolarHBondContact OD1-OG 2.82Å; D84-S86 PolarHBondContact OD2-OG 2.98Å; S86-G88 PolarHBondContact O-N 2.84Å
87K82.4Confident91Very high113 Ų11352.8 Ų52.849%0.49127%0.272SS..G310 helixtrans-79.86.8-175.5-66.9179.9176.4174.70114.5R82 D84 K85R82-K87 VanDerWaalsContact CZ-CB 3.41Å; R82-K87 PolarHBondContact NH2-O 2.96Å; D84-K87 HydrophobicContact CB-CD 4.36Å; D84-K87 WeakPolarHBondContact OD2-CE 3.44Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.76Å
88G85.3Confident91Very high49 Ų4952.5 Ų52.551%0.50527%0.269SS..  trans91.6-160.8-178.600000114.3R82 S86R82-G88 PolarHBondContact NH2-O 2.77Å; S86-G88 PolarHBondContact O-N 2.84Å
89I89.3Confident90.9Very high111 Ų11147.7 Ų47.757%0.56925%0.252SS*.SBendtrans-82.8142.7177.4-51.1173.7000108.8C115I89-C115 HydrophobicContact CB-CB 4.44Å; I89-C115 VanDerWaalsContact CG2-C 3.47Å; I89-C115 HydrophobicContact CG2-CB 4.46Å; I89-C115 VanDerWaalsContact CG2-O 3.27Å; I89-C115 WeakPolarHBondContact CG2-O 3.48Å
90V91.7Very high90.6Very high5 Ų544.1 Ų44.13%0.0324%0.236CC..  trans-79.2152.3178.4-63.90000111.3L80 R82 P92 C115 D116 I156L80-V90 WeakPolarHBondContact O-CG2 3.41Å; R82-V90 HydrophobicContact CB-CG1 4.26Å; R82-V90 HydrophobicContact CG-CG1 3.54Å; V90-P92 WeakPolarHBondContact O-CD 3.43Å; V90-C115 CarbonylContact O-C 3.48Å; V90-C115 WeakPolarHBondContact O-CA 3.19Å; V90-D116 PolarHBondContact O-N 2.91Å; V90-I156 HydrophobicContact CB-CD1 3.87Å; V90-I156 HydrophobicContact CG1-CD1 4.01Å; V90-I156 HydrophobicContact CG2-CD1 4.17Å
91S93.6Very high90.4Very high0 Ų044 Ų440%024%0.235CC..  trans-115.983172.3-68.10000109.8V113 C114 C115 D144 G145 D146S91-V113 CarbonylContact C-O 3.58Å; S91-V113 VanDerWaalsContact C-O 3.29Å; S91-V113 WeakPolarHBondContact CA-O 3.48Å; S91-V113 WeakPolarHBondContact CB-O 3.4Å; S91-C114 WeakPolarHBondContact OG-CA 3.01Å; S91-C115 PolarHBondContact OG-N 3.42Å; S91-D144 PolarHBondContact N-OD1 3.17Å; S91-G145 PolarHBondContact O-N 2.88Å; S91-D146 WeakPolarHBondContact CB-OD1 3.26Å; S91-D146 VanDerWaalsContact CB-OD2 3.31Å; S91-D146 WeakPolarHBondContact CB-OD2 3.42Å; S91-D146 PolarHBondContact OG-OD1 3.35Å; S91-D146 PolarHBondContact OG-OD2 2.93Å
92P95.6Very high90.3Very high0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-71.2142.1-164.228.2-34.9000112.8L80 V90 V113 D116 P120 W122 V142 E143 I156L80-P92 HydrophobicContact CD1-CB 3.76Å; L80-P92 HydrophobicContact CD1-CG 4.1Å; V90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-V113 VanDerWaalsContact CD-O 3.27Å; P92-V113 WeakPolarHBondContact CD-O 3.41Å; P92-V113 HydrophobicContact CG-CB 4.48Å; P92-V113 PolarHBondContact O-N 3.44Å; P92-D116 WeakPolarHBondContact CD-O 3.36Å; P92-D116 WeakPolarHBondContact CG-O 3.31Å; P92-P120 HydrophobicContact CG-CB 3.75Å; P92-P120 HydrophobicContact CG-CG 3.76Å; P92-W122 HydrophobicContact CB-CH2 4.24Å; P92-W122 HydrophobicContact CB-CZ2 3.84Å; P92-W122 HydrophobicContact CG-CH2 4.24Å; P92-W122 HydrophobicContact CG-CZ2 3.85Å; P92-V142 HydrophobicContact CB-CG1 4.23Å; P92-E143 CarbonylContact C-O 3.51Å; P92-E143 WeakPolarHBondContact CA-O 3.43Å; P92-I156 HydrophobicContact CB-CD1 4.29Å
93V95.7Very high90.5Very high4 Ų445.5 Ų45.52%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-126135.2170.4179.70000108.1R109 V112 V142 E143V93-R109 HydrophobicContact CG1-CB 4.44Å; V93-V112 HydrophobicContact CG2-CB 3.89Å; V93-V112 HydrophobicContact CG2-CG1 4.02Å; V93-V112 HydrophobicContact CG2-CG2 3.43Å; V93-V112 VanDerWaalsContact CG2-CG2 3.43Å; V93-V142 WeakPolarHBondContact O-CA 3.39Å; V93-E143 PolarHBondContact N-O 3.39Å; V93-E143 PolarHBondContact O-N 2.86Å
94V97.5Very high91Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-105.9118.4175.4-173.80000109.3V74 V96 R109 T110 W122 F140 V142 L188V74-V94 HydrophobicContact CG1-CB 4.26Å; V74-V94 HydrophobicContact CG1-CG1 4.35Å; V74-V94 HydrophobicContact CG1-CG2 4.15Å; V74-V94 HydrophobicContact CG2-CG1 4.47Å; V94-V96 HydrophobicContact CG1-CG2 4.11Å; V94-R109 WeakPolarHBondContact O-CA 3.36Å; V94-T110 HydrophobicContact CB-CG2 3.98Å; V94-T110 PolarHBondContact N-OG1 3.24Å; V94-T110 PolarHBondContact O-N 3.18Å; V94-T110 PolarHBondContact O-OG1 2.78Å; V94-W122 HydrophobicContact CG2-CD2 4.39Å; V94-W122 HydrophobicContact CG2-CE3 4.31Å; V94-W122 HydrophobicContact CG2-CH2 3.62Å; V94-W122 HydrophobicContact CG2-CZ2 3.72Å; V94-W122 HydrophobicContact CG2-CZ3 3.92Å; V94-F140 HydrophobicContact CG1-CD1 4.25Å; V94-V142 HydrophobicContact CG2-CG2 4.33Å; V94-L188 HydrophobicContact CG1-CD1 4.01Å; V94-L188 HydrophobicContact CG2-CD1 4.43Å; V94-L188 HydrophobicContact CG2-CD2 4.14Å
95E97.2Very high91.5Very high33 Ų3339.6 Ų39.615%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-89.9126165.2-177.2172.4117.800109.4T107 Y108 R109 F140 Y141E95-T107 HydrophobicContact CG-CG2 3.31Å; E95-T107 WeakPolarHBondContact OE1-CG2 3.3Å; E95-Y108 CarbonylContact C-O 3.46Å; E95-Y108 WeakPolarHBondContact CA-O 3.49Å; E95-R109 HydrophobicContact CB-CG 3.96Å; E95-R109 HydrophobicContact CG-CG 3.9Å; E95-R109 IonicContact OE2-NH1 3.21Å; E95-F140 CarbonylContact O-C 3.58Å; E95-F140 WeakPolarHBondContact O-CA 3.36Å; E95-Y141 PolarHBondContact N-O 2.79Å; E95-Y141 PolarHBondContact O-N 3.39Å
96V98Very high92.2Very high0 Ų036.3 Ų36.30%021%0.209CC..EExtended strand (participates in β ladder)trans-111.5114.4177.7-170.10000108V72 V74 V94 T107 Y108 F126 F128 L138 F140V72-V96 HydrophobicContact CG1-CG1 4.43Å; V74-V96 HydrophobicContact CG2-CG2 3.69Å; V94-V96 HydrophobicContact CG1-CG2 4.11Å; V96-T107 WeakPolarHBondContact O-CA 3.42Å; V96-Y108 PolarHBondContact N-O 2.97Å; V96-Y108 PolarHBondContact O-N 3.05Å; V96-F126 HydrophobicContact CB-CD2 4.23Å; V96-F126 HydrophobicContact CG2-CD2 3.87Å; V96-F126 HydrophobicContact CG2-CE2 3.92Å; V96-F128 HydrophobicContact CB-CZ 4.17Å; V96-F128 HydrophobicContact CG1-CE2 3.86Å; V96-F128 HydrophobicContact CG1-CZ 3.68Å; V96-L138 HydrophobicContact CG1-CD1 3.65Å; V96-F140 HydrophobicContact CG1-CD1 4.29Å; V96-F140 HydrophobicContact CG1-CE1 3.91Å; V96-F140 HydrophobicContact CG2-CD1 4.04Å; V96-F140 HydrophobicContact CG2-CE1 4.1Å
97E97.5Very high93Very high23 Ų2334.5 Ų34.511%0.10719%0.194CC..EExtended strand (participates in β ladder)trans-124.7130.3-170.7-172.6-174.7-16900111.1K25 I99 R106 T107 R139K25-E97 WeakPolarHBondContact CE-OE2 3.31Å; K25-E97 IonicContact NZ-OE1 2.59Å; K25-E97 PolarHBondContact NZ-OE1 2.81Å; K25-E97 IonicContact NZ-OE2 2.77Å; K25-E97 PolarHBondContact NZ-OE2 3.49Å; E97-I99 VanDerWaalsContact CD-CG1 3.47Å; E97-I99 HydrophobicContact CG-CD1 4.22Å; E97-I99 HydrophobicContact CG-CG1 3.71Å; E97-I99 WeakPolarHBondContact OE2-CD1 3.36Å; E97-R106 CarbonylContact C-O 3.5Å; E97-R106 WeakPolarHBondContact CA-O 3.41Å; E97-T107 HydrophobicContact CB-CG2 4.34Å; E97-T107 HydrophobicContact CG-CG2 4.48Å; E97-R139 HydrophobicContact CB-CB 4.4Å; E97-R139 PolarHBondContact N-O 2.59Å; E97-R139 PolarHBondContact O-N 2.93Å; E97-R139 IonicContact OE2-NH1 3.31Å; E97-R139 PolarHBondContact OE2-NH1 2.97Å
98I97.4Very high93.7Very high0 Ų032.6 Ų32.60%018%0.184CC..EExtended strand (participates in β ladder)trans-92.8126163-61.1-66.9000108.7L70 D104 C105 R106 F128 V130 A136 F137 L138 I163L70-I98 HydrophobicContact CD2-CD1 3.83Å; I98-D104 HydrophobicContact CG2-CB 4.33Å; I98-D104 WeakPolarHBondContact CG2-O 3.48Å; I98-C105 WeakPolarHBondContact O-CA 3.3Å; I98-R106 PolarHBondContact N-O 3Å; I98-R106 PolarHBondContact O-N 3.18Å; I98-F128 HydrophobicContact CB-CD1 4.22Å; I98-F128 HydrophobicContact CD1-CB 4.46Å; I98-F128 HydrophobicContact CD1-CD1 4.34Å; I98-F128 HydrophobicContact CD1-CG 4.21Å; I98-F128 HydrophobicContact CG1-CB 3.93Å; I98-F128 HydrophobicContact CG1-CD1 3.27Å; I98-F128 HydrophobicContact CG1-CD2 4.23Å; I98-F128 HydrophobicContact CG1-CE1 3.66Å; I98-F128 HydrophobicContact CG1-CG 3.56Å; I98-F128 HydrophobicContact CG1-CZ 4.28Å; I98-V130 HydrophobicContact CD1-CG2 4.44Å; I98-V130 HydrophobicContact CG2-CG2 4.31Å; I98-A136 HydrophobicContact CG2-CB 4.25Å; I98-F137 CarbonylContact C-O 3.58Å; I98-F137 WeakPolarHBondContact CA-O 3.21Å; I98-L138 HydrophobicContact CD1-CB 4.27Å; I98-L138 HydrophobicContact CD1-CD1 3.7Å; I98-I163 HydrophobicContact CD1-CD1 3.84Å
99I95.3Very high94.3Very high16 Ų1635.8 Ų35.88%0.08218%0.181CC..EExtended strand (participates in β ladder)trans-121.5117.7178.5-56.7157.9000107.3K25 L29 E97 A136 F137 R139K25-I99 VanDerWaalsContact CE-CD1 3.47Å; L29-I99 HydrophobicContact CD1-CD1 4.03Å; L29-I99 HydrophobicContact CD1-CG2 3.88Å; L29-I99 HydrophobicContact CD2-CD1 3.72Å; L29-I99 HydrophobicContact CG-CD1 4.33Å; E97-I99 VanDerWaalsContact CD-CG1 3.47Å; E97-I99 HydrophobicContact CG-CD1 4.22Å; E97-I99 HydrophobicContact CG-CG1 3.71Å; E97-I99 WeakPolarHBondContact OE2-CD1 3.36Å; I99-A136 CarbonylContact O-C 3.57Å; I99-A136 WeakPolarHBondContact O-CA 3.4Å; I99-F137 HydrophobicContact CB-CB 4.44Å; I99-F137 PolarHBondContact N-O 3.19Å; I99-F137 PolarHBondContact O-N 3Å; I99-R139 HydrophobicContact CD1-CB 3.88Å; I99-R139 HydrophobicContact CD1-CG 4.43Å
100G91.1Very high94.7Very high2 Ų231 Ų312%0.02116%0.157CC..SBendtrans-175-141.9-176.100000109.2C105 Y277G100-C105 PolarHBondContact O-SG 2.79Å; G100-C105 VanDerWaalsContact O-SG 3.34Å; G100-Y277 WeakPolarHBondContact O-CD1 3.27Å; G100-Y277 WeakPolarHBondContact O-CE1 3.39Å
101L88.6Confident94.9Very high1 Ų133.8 Ų33.81%0.00518%0.177CC..SBendtrans-53.6148.3172.6-63.4-171.4000111.3P59 C103 D104 C105 C132 L135 Y277P59-L101 HydrophobicContact CB-CD1 4.02Å; P59-L101 HydrophobicContact CB-CD2 3.47Å; P59-L101 VanDerWaalsContact CB-CD2 3.47Å; P59-L101 HydrophobicContact CB-CG 4.37Å; P59-L101 HydrophobicContact CG-CD1 4.35Å; P59-L101 HydrophobicContact CG-CD2 3.67Å; P59-L101 HydrophobicContact CG-CG 4.49Å; L101-C103 PolarHBondContact O-N 2.81Å; L101-D104 HydrophobicContact CB-CB 4.47Å; L101-D104 WeakPolarHBondContact O-CA 3.33Å; L101-D104 WeakPolarHBondContact O-CB 3.46Å; L101-D104 PolarHBondContact O-N 2.85Å; L101-C105 PolarHBondContact O-N 3.41Å; L101-C105 VanDerWaalsContact O-N 3.08Å; L101-C105 PolarHBondContact O-SG 2.92Å; L101-C105 VanDerWaalsContact O-SG 3.35Å; L101-C132 HydrophobicContact CD1-CB 3.42Å; L101-C132 VanDerWaalsContact CD1-CB 3.42Å; L101-C132 HydrophobicContact CG-CB 4.04Å; L101-L135 HydrophobicContact CD2-CD1 3.67Å; L101-L135 HydrophobicContact CG-CD1 4.16Å; L101-Y277 HydrophobicContact CD2-CE1 4.26Å
102P88.9Confident95Very high90 Ų9037.2 Ų37.258%0.58420%0.198SC*.THydrogen-bonded Turntrans-52.1-33.2178.9-29.236000114.2D104P102-D104 VanDerWaalsContact C-N 3.34Å
103C87.5Confident95Very high38 Ų3838.4 Ų38.426%0.25721%0.205SC..THydrogen-bonded Turntrans-71.6-23.2175.4600000114.9E60 L101 K131E60-C103 HydrophobicContact CG-CB 4.37Å; E60-C103 WeakPolarHBondContact OE1-CB 3.21Å; L101-C103 PolarHBondContact O-N 2.81Å; C103-K131 HydrophobicContact CB-CD 4.31Å
104D91.9Very high94.9Very high3 Ų342.5 Ų42.52%0.01623%0.232CC..THydrogen-bonded Turntrans-93.3-22.1-178.4-63.7-14.1000111.3I98 L101 P102 R106 V130 K131 C132I98-D104 HydrophobicContact CG2-CB 4.33Å; I98-D104 WeakPolarHBondContact CG2-O 3.48Å; L101-D104 HydrophobicContact CB-CB 4.47Å; L101-D104 WeakPolarHBondContact O-CA 3.33Å; L101-D104 WeakPolarHBondContact O-CB 3.46Å; L101-D104 PolarHBondContact O-N 2.85Å; P102-D104 VanDerWaalsContact C-N 3.34Å; D104-R106 PolarHBondContact O-N 3.01Å; D104-V130 HydrophobicContact CB-CG1 4.25Å; D104-K131 WeakPolarHBondContact OD1-CA 3.49Å; D104-K131 VanDerWaalsContact OD1-CB 3.26Å; D104-K131 WeakPolarHBondContact OD1-CB 3.16Å; D104-K131 PolarHBondContact OD1-N 3.29Å; D104-C132 PolarHBondContact OD2-N 2.91Å
105C93.9Very high94.6Very high62 Ų6245.7 Ų45.742%0.41925%0.254SS..  trans-60.8121.7-178.2-72.40000111.8I98 G100 L101I98-C105 WeakPolarHBondContact O-CA 3.3Å; G100-C105 PolarHBondContact O-SG 2.79Å; G100-C105 VanDerWaalsContact O-SG 3.34Å; L101-C105 PolarHBondContact O-N 3.41Å; L101-C105 VanDerWaalsContact O-N 3.08Å; L101-C105 PolarHBondContact O-SG 2.92Å; L101-C105 VanDerWaalsContact O-SG 3.35Å
106R96.7Very high94.4Very high111 Ų11145.7 Ų45.742%0.41926%0.255SS..EExtended strand (participates in β ladder)trans-157.2144.6177-171.7171-62.7-164.2-1.4110.5E97 I98 D104 Y108 F128E97-R106 CarbonylContact C-O 3.5Å; E97-R106 WeakPolarHBondContact CA-O 3.41Å; I98-R106 PolarHBondContact N-O 3Å; I98-R106 PolarHBondContact O-N 3.18Å; D104-R106 PolarHBondContact O-N 3.01Å; R106-Y108 VanDerWaalsContact CD-CZ 3.47Å; R106-Y108 WeakPolarHBondContact CD-OH 3.39Å; R106-Y108 HydrophobicContact CG-CE2 3.97Å; R106-Y108 PolarHBondContact NH1-OH 3.2Å; R106-F128 HydrophobicContact CB-CD1 3.98Å; R106-F128 HydrophobicContact CB-CE1 4.19Å; R106-F128 HydrophobicContact CG-CD1 4.23Å; R106-F128 HydrophobicContact CG-CE1 4.28Å
107T97.4Very high94.2Very high64 Ų6446 Ų4639%0.39326%0.258SS..EExtended strand (participates in β ladder)trans-128.5135.4-179.7-50.80000109.5E95 V96 E97E95-T107 HydrophobicContact CG-CG2 3.31Å; E95-T107 WeakPolarHBondContact OE1-CG2 3.3Å; V96-T107 WeakPolarHBondContact O-CA 3.42Å; E97-T107 HydrophobicContact CB-CG2 4.34Å; E97-T107 HydrophobicContact CG-CG2 4.48Å
108Y97.9Very high94.1Very high72 Ų7249.8 Ų49.828%0.28228%0.278SS..EExtended strand (participates in β ladder)trans-125.8159.6165.4-59.2-77.8000109.9E95 V96 R106 F126 E127 F128E95-Y108 CarbonylContact C-O 3.46Å; E95-Y108 WeakPolarHBondContact CA-O 3.49Å; V96-Y108 PolarHBondContact N-O 2.97Å; V96-Y108 PolarHBondContact O-N 3.05Å; R106-Y108 VanDerWaalsContact CD-CZ 3.47Å; R106-Y108 WeakPolarHBondContact CD-OH 3.39Å; R106-Y108 HydrophobicContact CG-CE2 3.97Å; R106-Y108 PolarHBondContact NH1-OH 3.2Å; Y108-F126 HydrophobicContact CD1-CD1 4.12Å; Y108-F126 HydrophobicContact CD2-CB 3.66Å; Y108-F126 AromaticContact CD2-CD1 3.91Å; Y108-F126 HydrophobicContact CD2-CD1 3.91Å; Y108-F126 AromaticContact CD2-CG 3.96Å; Y108-F126 HydrophobicContact CD2-CG 3.96Å; Y108-F126 HydrophobicContact CE2-CB 4.09Å; Y108-F126 HydrophobicContact CG-CB 4.22Å; Y108-F126 AromaticContact CG-CD1 3.56Å; Y108-F126 HydrophobicContact CG-CD1 3.56Å; Y108-F126 HydrophobicContact CG-CE1 4.21Å; Y108-F126 HydrophobicContact CG-CG 4.04Å; Y108-E127 WeakPolarHBondContact CE2-O 3.37Å; Y108-E127 PolarHBondContact OH-O 3.42Å; Y108-F128 HydrophobicContact CD2-CD1 4.17Å; Y108-F128 AromaticContact CD2-CE1 3.36Å; Y108-F128 HydrophobicContact CD2-CE1 3.36Å; Y108-F128 HydrophobicContact CD2-CE2 4.15Å; Y108-F128 AromaticContact CD2-CZ 3.37Å; Y108-F128 HydrophobicContact CD2-CZ 3.37Å; Y108-F128 AromaticContact CE2-CD1 3.78Å; Y108-F128 HydrophobicContact CE2-CD1 3.78Å; Y108-F128 AromaticContact CE2-CE1 3.45Å; Y108-F128 HydrophobicContact CE2-CE1 3.45Å; Y108-F128 VanDerWaalsContact CE2-CE1 3.45Å; Y108-F128 HydrophobicContact CE2-CE2 4.32Å; Y108-F128 HydrophobicContact CE2-CG 4.38Å; Y108-F128 AromaticContact CE2-CZ 3.78Å; Y108-F128 HydrophobicContact CE2-CZ 3.78Å
109R97.2Very high94Very high117 Ų11755.5 Ų55.544%0.44231%0.305SS..EExtended strand (participates in β ladder)trans-130.8139.6176.4-66.7-176.665.4135.51.4109V93 V94 E95 E143V93-R109 HydrophobicContact CG1-CB 4.44Å; V94-R109 WeakPolarHBondContact O-CA 3.36Å; E95-R109 HydrophobicContact CB-CG 3.96Å; E95-R109 HydrophobicContact CG-CG 3.9Å; E95-R109 IonicContact OE2-NH1 3.21Å; R109-E143 IonicContact CZ-OE2 3.87Å; R109-E143 IonicContact NH1-OE2 3.58Å; R109-E143 PolarHBondContact NH1-OE2 2.83Å; R109-E143 IonicContact NH2-OE2 2.69Å; R109-E143 PolarHBondContact NH2-OE2 3.23Å
110T97.9Very high94.1Very high10 Ų1054.7 Ų54.76%0.06130%0.301CS..PPolyproline II helixtrans-71.8168170.965.10000111.3V74 V94 W122 E124 F126V74-T110 HydrophobicContact CB-CG2 4.15Å; V74-T110 HydrophobicContact CG1-CG2 4.23Å; V74-T110 HydrophobicContact CG2-CG2 4.38Å; V94-T110 HydrophobicContact CB-CG2 3.98Å; V94-T110 PolarHBondContact N-OG1 3.24Å; V94-T110 PolarHBondContact O-N 3.18Å; V94-T110 PolarHBondContact O-OG1 2.78Å; T110-W122 VanDerWaalsContact CB-CD1 3.43Å; T110-W122 HydrophobicContact CG2-CB 4.28Å; T110-W122 HydrophobicContact CG2-CG 4.08Å; T110-W122 VanDerWaalsContact OG1-CD1 3.29Å; T110-W122 PolarHBondContact OG1-NE1 3.28Å; T110-E124 VanDerWaalsContact CA-OE2 3.31Å; T110-E124 WeakPolarHBondContact CA-OE2 3.22Å; T110-E124 HydrophobicContact CG2-CB 4.48Å; T110-F126 HydrophobicContact CG2-CE2 3.82Å; T110-F126 HydrophobicContact CG2-CZ 3.85Å
111S96.4Very high94.4Very high63 Ų6360.8 Ų60.844%0.44133%0.331SS..PPolyproline II helixtrans-58.9157160.7610000112W122 E124S111-W122 PolarHBondContact O-NE1 3.16Å; S111-E124 WeakPolarHBondContact CB-OE1 3.13Å; S111-E124 PolarHBondContact N-OE1 3.42Å; S111-E124 PolarHBondContact N-OE2 3.49Å; S111-E124 PolarHBondContact OG-OE1 2.99Å
112V95.6Very high94.9Very high73 Ų7361.6 Ų61.644%0.44233%0.333SS..PPolyproline II helixtrans-78.8125.2173.2-175.10000108.4V93V93-V112 HydrophobicContact CG2-CB 3.89Å; V93-V112 HydrophobicContact CG2-CG1 4.02Å; V93-V112 HydrophobicContact CG2-CG2 3.43Å; V93-V112 VanDerWaalsContact CG2-CG2 3.43Å
113V95.8Very high95.3Very high24 Ų2461.6 Ų61.615%0.14533%0.329CS..  trans-91.4112.1168.2177.30000107.7S91 P92 C115 D116 P120 M121 W122S91-V113 CarbonylContact C-O 3.58Å; S91-V113 VanDerWaalsContact C-O 3.29Å; S91-V113 WeakPolarHBondContact CA-O 3.48Å; S91-V113 WeakPolarHBondContact CB-O 3.4Å; P92-V113 VanDerWaalsContact CD-O 3.27Å; P92-V113 WeakPolarHBondContact CD-O 3.41Å; P92-V113 HydrophobicContact CG-CB 4.48Å; P92-V113 PolarHBondContact O-N 3.44Å; V113-C115 PolarHBondContact O-N 3.21Å; V113-D116 HydrophobicContact CG1-CB 3.89Å; V113-P120 HydrophobicContact CB-CB 4.06Å; V113-P120 HydrophobicContact CG1-CB 3.91Å; V113-P120 HydrophobicContact CG2-CB 4.19Å; V113-M121 WeakPolarHBondContact CG2-O 3.44Å; V113-W122 HydrophobicContact CG2-CD2 4.32Å; V113-W122 HydrophobicContact CG2-CG 4.24Å; V113-W122 HydrophobicContact CG2-CZ2 4.4Å
114C93.7Very high95.8Very high90 Ų9062.1 Ų62.161%0.60833%0.327SS*.THydrogen-bonded Turntrans-73.3127.3-174.8-171.20000112S91 D116S91-C114 WeakPolarHBondContact OG-CA 3.01Å; C114-D116 VanDerWaalsContact C-N 3.27Å; C114-D116 PolarHBondContact O-N 3.49Å
115C91.7Very high96Very high67 Ų6768.6 Ų68.645%0.45336%0.357SS..THydrogen-bonded Turntrans53.534.9170-64.50000114.7I89 V90 S91 V113I89-C115 HydrophobicContact CB-CB 4.44Å; I89-C115 VanDerWaalsContact CG2-C 3.47Å; I89-C115 HydrophobicContact CG2-CB 4.46Å; I89-C115 VanDerWaalsContact CG2-O 3.27Å; I89-C115 WeakPolarHBondContact CG2-O 3.48Å; V90-C115 CarbonylContact O-C 3.48Å; V90-C115 WeakPolarHBondContact O-CA 3.19Å; S91-C115 PolarHBondContact OG-N 3.42Å; V113-C115 PolarHBondContact O-N 3.21Å
116D92.9Very high96.2Very high33 Ų3366.6 Ų66.618%0.17634%0.341CS..  trans-135.693.7174.1-176.67.2000111.2V90 P92 V113 C114 L118 H119 P120V90-D116 PolarHBondContact O-N 2.91Å; P92-D116 WeakPolarHBondContact CD-O 3.36Å; P92-D116 WeakPolarHBondContact CG-O 3.31Å; V113-D116 HydrophobicContact CG1-CB 3.89Å; C114-D116 VanDerWaalsContact C-N 3.27Å; C114-D116 PolarHBondContact O-N 3.49Å; D116-L118 PolarHBondContact OD1-N 3.38Å; D116-H119 IonicContact OD1-CE1 3.86Å; D116-H119 IonicContact OD1-CG 3.99Å; D116-H119 PolarHBondContact OD1-N 2.85Å; D116-H119 IonicContact OD1-ND1 3.54Å; D116-H119 IonicContact OD2-CE1 3.24Å; D116-H119 PolarHBondContact OD2-CE1 3.49Å; D116-H119 VanDerWaalsContact OD2-CE1 3.24Å; D116-H119 IonicContact OD2-CG 3.9Å; D116-H119 IonicContact OD2-ND1 2.82Å; D116-H119 PolarHBondContact OD2-ND1 2.9Å; D116-P120 WeakPolarHBondContact O-CB 3.44Å; D116-P120 WeakPolarHBondContact O-CD 2.95Å
117G92.8Very high96.3Very high6 Ų665.9 Ų65.96%0.06234%0.343CS..SBendtrans-90-15.3169.800000114.2H79 L80H79-G117 PolarHBondContact N-O 3.46Å; L80-G117 WeakPolarHBondContact CA-O 3.44Å; L80-G117 WeakPolarHBondContact CB-O 3.28Å; L80-G117 PolarHBondContact N-O 3.41Å; L80-G117 CarbonylContact O-C 3.52Å; L80-G117 VanDerWaalsContact O-CA 3.22Å; L80-G117 WeakPolarHBondContact O-CA 3.47Å
118L94.9Very high96.3Very high103 Ų10362.9 Ų62.954%0.53932%0.324SS..SBendtrans-83.2-41.9-169.5-174.961000111.7R78 H79 D116R78-L118 VanDerWaalsContact CA-O 3.26Å; R78-L118 WeakPolarHBondContact CA-O 3.29Å; H79-L118 PolarHBondContact N-O 3Å; H79-L118 VanDerWaalsContact N-O 3.08Å; D116-L118 PolarHBondContact OD1-N 3.38Å
119H96Very high96.2Very high120 Ų12062.6 Ų62.656%0.55633%0.327SS*.SBendtrans-147.848.3-178.558.350.9000113.9G77 D116G77-H119 WeakPolarHBondContact O-CA 3.41Å; D116-H119 IonicContact OD1-CE1 3.86Å; D116-H119 IonicContact OD1-CG 3.99Å; D116-H119 PolarHBondContact OD1-N 2.85Å; D116-H119 IonicContact OD1-ND1 3.54Å; D116-H119 IonicContact OD2-CE1 3.24Å; D116-H119 PolarHBondContact OD2-CE1 3.49Å; D116-H119 VanDerWaalsContact OD2-CE1 3.24Å; D116-H119 IonicContact OD2-CG 3.9Å; D116-H119 IonicContact OD2-ND1 2.82Å; D116-H119 PolarHBondContact OD2-ND1 2.9Å
120P96.9Very high96Very high0 Ų057 Ų570%031%0.307CS..  trans-58.8144.3-178.625.4-35.4000111.7A76 G77 L80 P92 V113 D116 W122A76-P120 CarbonylContact C-O 3.55Å; A76-P120 WeakPolarHBondContact CA-O 3.03Å; A76-P120 WeakPolarHBondContact CB-O 3.43Å; G77-P120 PolarHBondContact N-O 3.33Å; L80-P120 HydrophobicContact CD1-CG 3.75Å; L80-P120 HydrophobicContact CG-CG 4.48Å; P92-P120 HydrophobicContact CG-CB 3.75Å; P92-P120 HydrophobicContact CG-CG 3.76Å; V113-P120 HydrophobicContact CB-CB 4.06Å; V113-P120 HydrophobicContact CG1-CB 3.91Å; V113-P120 HydrophobicContact CG2-CB 4.19Å; D116-P120 WeakPolarHBondContact O-CB 3.44Å; D116-P120 WeakPolarHBondContact O-CD 2.95Å; P120-W122 HydrophobicContact CB-CH2 3.68Å; P120-W122 HydrophobicContact CB-CZ2 3.85Å; P120-W122 HydrophobicContact CB-CZ3 4.08Å; P120-W122 HydrophobicContact CG-CH2 3.45Å; P120-W122 VanDerWaalsContact CG-CH2 3.45Å; P120-W122 HydrophobicContact CG-CZ2 4.08Å; P120-W122 HydrophobicContact CG-CZ3 3.89Å
121M97.9Very high95.7Very high130 Ų13061.7 Ų61.764%0.6433%0.326SS*.EExtended strand (participates in β ladder)trans-124.9131.1174.8-62.9-167.7-62.700109.9A76 V113A76-M121 HydrophobicContact CB-CG 4.15Å; V113-M121 WeakPolarHBondContact CG2-O 3.44Å
122W98.1Very high95.4Very high17 Ų1758.7 Ų58.76%0.06431%0.305CS..EExtended strand (participates in β ladder)trans-112.4-48.8177.3-64-83.4000111.4V74 I75 L80 P92 V94 T110 S111 V113 P120 E124 L188V74-W122 HydrophobicContact CG1-CD2 4.29Å; V74-W122 HydrophobicContact CG1-CE3 3.79Å; V74-W122 HydrophobicContact CG1-CZ3 4.36Å; I75-W122 PolarHBondContact O-N 2.95Å; L80-W122 HydrophobicContact CD1-CH2 3.79Å; P92-W122 HydrophobicContact CB-CH2 4.24Å; P92-W122 HydrophobicContact CB-CZ2 3.84Å; P92-W122 HydrophobicContact CG-CH2 4.24Å; P92-W122 HydrophobicContact CG-CZ2 3.85Å; V94-W122 HydrophobicContact CG2-CD2 4.39Å; V94-W122 HydrophobicContact CG2-CE3 4.31Å; V94-W122 HydrophobicContact CG2-CH2 3.62Å; V94-W122 HydrophobicContact CG2-CZ2 3.72Å; V94-W122 HydrophobicContact CG2-CZ3 3.92Å; T110-W122 VanDerWaalsContact CB-CD1 3.43Å; T110-W122 HydrophobicContact CG2-CB 4.28Å; T110-W122 HydrophobicContact CG2-CG 4.08Å; T110-W122 VanDerWaalsContact OG1-CD1 3.29Å; T110-W122 PolarHBondContact OG1-NE1 3.28Å; S111-W122 PolarHBondContact O-NE1 3.16Å; V113-W122 HydrophobicContact CG2-CD2 4.32Å; V113-W122 HydrophobicContact CG2-CG 4.24Å; V113-W122 HydrophobicContact CG2-CZ2 4.4Å; P120-W122 HydrophobicContact CB-CH2 3.68Å; P120-W122 HydrophobicContact CB-CZ2 3.85Å; P120-W122 HydrophobicContact CB-CZ3 4.08Å; P120-W122 HydrophobicContact CG-CH2 3.45Å; P120-W122 VanDerWaalsContact CG-CH2 3.45Å; P120-W122 HydrophobicContact CG-CZ2 4.08Å; P120-W122 HydrophobicContact CG-CZ3 3.89Å; W122-E124 VanDerWaalsContact C-N 3.26Å; W122-E124 HydrophobicContact CB-CG 4.38Å; W122-E124 PolarHBondContact O-N 3.38Å; W122-L188 HydrophobicContact CH2-CD2 4.41Å; W122-L188 HydrophobicContact CZ3-CD2 4.06Å
123N97.6Very high95.3Very high91 Ų9155.5 Ų55.549%0.48729%0.286SS..EExtended strand (participates in β ladder)trans52.643.2-173.6-55.5-62.3000112.7V74 I75V74-N123 WeakPolarHBondContact O-CA 3.4Å; V74-N123 PolarHBondContact O-N 3.5Å; I75-N123 WeakPolarHBondContact CG2-OD1 3.18Å; I75-N123 PolarHBondContact O-N 2.92Å
124E98.5Very high95.1Very high48 Ų4858 Ų5822%0.22430%0.296CS..EExtended strand (participates in β ladder)trans-110.1137.8-179.9-69.1-179.1-133.700110.3E73 V74 T110 S111 W122 F126E73-E124 CarbonylContact C-O 3.44Å; E73-E124 WeakPolarHBondContact CA-O 3.33Å; V74-E124 PolarHBondContact N-O 2.97Å; V74-E124 PolarHBondContact O-N 3.5Å; T110-E124 VanDerWaalsContact CA-OE2 3.31Å; T110-E124 WeakPolarHBondContact CA-OE2 3.22Å; T110-E124 HydrophobicContact CG2-CB 4.48Å; S111-E124 WeakPolarHBondContact CB-OE1 3.13Å; S111-E124 PolarHBondContact N-OE1 3.42Å; S111-E124 PolarHBondContact N-OE2 3.49Å; S111-E124 PolarHBondContact OG-OE1 2.99Å; W122-E124 VanDerWaalsContact C-N 3.26Å; W122-E124 HydrophobicContact CB-CG 4.38Å; W122-E124 PolarHBondContact O-N 3.38Å; E124-F126 HydrophobicContact CB-CE2 4.39Å; E124-F126 HydrophobicContact CB-CZ 4.05Å
125H97.1Very high94.9Very high140 Ų14054.1 Ų54.165%0.64827%0.269SS*.EExtended strand (participates in β ladder)trans-114.6143.8179.465.4-86.8000111.8V72 E73V72-H125 CarbonylContact O-C 3.57Å; V72-H125 WeakPolarHBondContact O-CA 3.35Å; E73-H125 HydrophobicContact CB-CB 4.2Å; E73-H125 HydrophobicContact CG-CB 4.31Å
126F98.2Very high95.1Very high19 Ų1951 Ų518%0.08325%0.248CC..EExtended strand (participates in β ladder)trans-130.1134.4-178.8-55.7-64.1000110.1T71 V72 V74 V96 Y108 T110 E124 F128T71-F126 CarbonylContact C-O 3.58Å; T71-F126 WeakPolarHBondContact CA-O 3.19Å; V72-F126 PolarHBondContact N-O 2.78Å; V72-F126 PolarHBondContact O-N 3.39Å; V74-F126 HydrophobicContact CG2-CD2 4.34Å; V74-F126 HydrophobicContact CG2-CE2 4.05Å; V96-F126 HydrophobicContact CB-CD2 4.23Å; V96-F126 HydrophobicContact CG2-CD2 3.87Å; V96-F126 HydrophobicContact CG2-CE2 3.92Å; Y108-F126 HydrophobicContact CD1-CD1 4.12Å; Y108-F126 HydrophobicContact CD2-CB 3.66Å; Y108-F126 AromaticContact CD2-CD1 3.91Å; Y108-F126 HydrophobicContact CD2-CD1 3.91Å; Y108-F126 AromaticContact CD2-CG 3.96Å; Y108-F126 HydrophobicContact CD2-CG 3.96Å; Y108-F126 HydrophobicContact CE2-CB 4.09Å; Y108-F126 HydrophobicContact CG-CB 4.22Å; Y108-F126 AromaticContact CG-CD1 3.56Å; Y108-F126 HydrophobicContact CG-CD1 3.56Å; Y108-F126 HydrophobicContact CG-CE1 4.21Å; Y108-F126 HydrophobicContact CG-CG 4.04Å; T110-F126 HydrophobicContact CG2-CE2 3.82Å; T110-F126 HydrophobicContact CG2-CZ 3.85Å; E124-F126 HydrophobicContact CB-CE2 4.39Å; E124-F126 HydrophobicContact CB-CZ 4.05Å; F126-F128 HydrophobicContact CB-CE2 3.76Å; F126-F128 HydrophobicContact CB-CZ 4.14Å
127E98Very high95.3Very high96 Ų9650.2 Ų50.245%0.44924%0.243SC..EExtended strand (participates in β ladder)trans-108.7132.5177.1-167.9-171.510800110.8V69 Y108V69-E127 HydrophobicContact CG1-CG 3.43Å; V69-E127 VanDerWaalsContact CG1-CG 3.43Å; Y108-E127 WeakPolarHBondContact CE2-O 3.37Å; Y108-E127 PolarHBondContact OH-O 3.42Å
128F97.4Very high95.5Very high2 Ų250 Ų501%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-124.4127.1178.5-57.8-87.9000110.4V69 L70 V72 V96 I98 R106 Y108 F126 V130V69-F128 WeakPolarHBondContact CA-O 3.44Å; L70-F128 HydrophobicContact CB-CB 4.33Å; L70-F128 HydrophobicContact CD2-CD2 4.37Å; L70-F128 PolarHBondContact N-O 3.16Å; L70-F128 PolarHBondContact O-N 2.84Å; V72-F128 HydrophobicContact CB-CE2 4.46Å; V72-F128 HydrophobicContact CG2-CD2 4.41Å; V72-F128 HydrophobicContact CG2-CE2 4.25Å; V96-F128 HydrophobicContact CB-CZ 4.17Å; V96-F128 HydrophobicContact CG1-CE2 3.86Å; V96-F128 HydrophobicContact CG1-CZ 3.68Å; I98-F128 HydrophobicContact CB-CD1 4.22Å; I98-F128 HydrophobicContact CD1-CB 4.46Å; I98-F128 HydrophobicContact CD1-CD1 4.34Å; I98-F128 HydrophobicContact CD1-CG 4.21Å; I98-F128 HydrophobicContact CG1-CB 3.93Å; I98-F128 HydrophobicContact CG1-CD1 3.27Å; I98-F128 HydrophobicContact CG1-CD2 4.23Å; I98-F128 HydrophobicContact CG1-CE1 3.66Å; I98-F128 HydrophobicContact CG1-CG 3.56Å; I98-F128 HydrophobicContact CG1-CZ 4.28Å; R106-F128 HydrophobicContact CB-CD1 3.98Å; R106-F128 HydrophobicContact CB-CE1 4.19Å; R106-F128 HydrophobicContact CG-CD1 4.23Å; R106-F128 HydrophobicContact CG-CE1 4.28Å; Y108-F128 HydrophobicContact CD2-CD1 4.17Å; Y108-F128 AromaticContact CD2-CE1 3.36Å; Y108-F128 HydrophobicContact CD2-CE1 3.36Å; Y108-F128 HydrophobicContact CD2-CE2 4.15Å; Y108-F128 AromaticContact CD2-CZ 3.37Å; Y108-F128 HydrophobicContact CD2-CZ 3.37Å; Y108-F128 AromaticContact CE2-CD1 3.78Å; Y108-F128 HydrophobicContact CE2-CD1 3.78Å; Y108-F128 AromaticContact CE2-CE1 3.45Å; Y108-F128 HydrophobicContact CE2-CE1 3.45Å; Y108-F128 VanDerWaalsContact CE2-CE1 3.45Å; Y108-F128 HydrophobicContact CE2-CE2 4.32Å; Y108-F128 HydrophobicContact CE2-CG 4.38Å; Y108-F128 AromaticContact CE2-CZ 3.78Å; Y108-F128 HydrophobicContact CE2-CZ 3.78Å; F126-F128 HydrophobicContact CB-CE2 3.76Å; F126-F128 HydrophobicContact CB-CZ 4.14Å; F128-V130 HydrophobicContact CB-CG2 4.15Å
129N94.9Very high95.6Very high65 Ų6545.3 Ų45.335%0.34822%0.216SC..EExtended strand (participates in β ladder)trans-93.9109.1169.9-74.3-83.2000108Q197N129-Q197 PolarHBondContact OD1-NE2 3.22Å
130V94Very high95.7Very high1 Ų139.7 Ų39.71%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-111.7111-175.5-174.60000108.7S67 I68 I98 D104 F128 P133 A136S67-V130 VanDerWaalsContact CA-O 3.31Å; S67-V130 WeakPolarHBondContact CA-O 3.44Å; I68-V130 HydrophobicContact CD1-CB 4.5Å; I68-V130 HydrophobicContact CG1-CB 3.87Å; I68-V130 HydrophobicContact CG1-CG2 4.47Å; I68-V130 PolarHBondContact N-O 3.35Å; I68-V130 PolarHBondContact O-N 2.85Å; I98-V130 HydrophobicContact CD1-CG2 4.44Å; I98-V130 HydrophobicContact CG2-CG2 4.31Å; D104-V130 HydrophobicContact CB-CG1 4.25Å; F128-V130 HydrophobicContact CB-CG2 4.15Å; V130-P133 HydrophobicContact CG1-CB 4.22Å; V130-A136 HydrophobicContact CG1-CB 3.73Å
131K90.5Very high95.6Very high107 Ų10740.1 Ų40.147%0.46519%0.192SC..SBendtrans-71.9-40.8179.8-61.9-169.1-172.6176.60111.9E60 C103 D104 P133E60-K131 IonicContact OE2-NZ 2.96Å; E60-K131 PolarHBondContact OE2-NZ 2.77Å; C103-K131 HydrophobicContact CB-CD 4.31Å; D104-K131 WeakPolarHBondContact OD1-CA 3.49Å; D104-K131 VanDerWaalsContact OD1-CB 3.26Å; D104-K131 WeakPolarHBondContact OD1-CB 3.16Å; D104-K131 PolarHBondContact OD1-N 3.29Å; K131-P133 WeakPolarHBondContact O-CD 3.29Å
132C90.8Very high95.5Very high0 Ų034 Ų340%016%0.161CC..  trans-126.471.8-172.4-1520000111C63 L101 D104 E134 L135 A136C63-C132 HydrophobicContact CB-CB 4.14Å; C63-C132 WeakPolarHBondContact CB-SG 3.49Å; C63-C132 WeakPolarHBondContact SG-CB 3.41Å; C63-C132 CovalentContact SG-SG 2.07Å; C63-C132 PolarHBondContact SG-SG 3.41Å; L101-C132 HydrophobicContact CD1-CB 3.42Å; L101-C132 VanDerWaalsContact CD1-CB 3.42Å; L101-C132 HydrophobicContact CG-CB 4.04Å; D104-C132 PolarHBondContact OD2-N 2.91Å; C132-E134 PolarHBondContact O-N 3.18Å; C132-E134 VanDerWaalsContact O-N 3.08Å; C132-L135 PolarHBondContact O-N 3.15Å; C132-A136 PolarHBondContact O-N 3.48Å
133P93.4Very high95.2Very high7 Ų734.4 Ų34.45%0.04516%0.164CC..G310 helixtrans-59-25.6-174.724.1-35.3000113.9K66 I68 V130 K131 L135 A136 I163 N164K66-P133 WeakPolarHBondContact O-CG 3.4Å; I68-P133 HydrophobicContact CD1-CB 4.03Å; I68-P133 HydrophobicContact CG1-CB 4.26Å; I68-P133 HydrophobicContact CG1-CG 4.49Å; I68-P133 HydrophobicContact CG2-CG 4.41Å; V130-P133 HydrophobicContact CG1-CB 4.22Å; K131-P133 WeakPolarHBondContact O-CD 3.29Å; P133-L135 PolarHBondContact O-N 3.32Å; P133-A136 PolarHBondContact O-N 3.19Å; P133-I163 HydrophobicContact CB-CB 4.29Å; P133-I163 HydrophobicContact CB-CG2 3.63Å; P133-N164 PolarHBondContact O-OD1 3.02Å
134E91.1Very high94.9Very high75 Ų7530.3 Ų30.335%0.3514%0.142SC..G310 helixtrans-61.9-22.8175-73.8170.9-117.100114.8P46 F48 S65 C132 N164P46-E134 VanDerWaalsContact CB-OE2 3.27Å; P46-E134 WeakPolarHBondContact CB-OE2 2.89Å; P46-E134 HydrophobicContact CG-CB 3.91Å; F48-E134 HydrophobicContact CE1-CB 4.23Å; F48-E134 WeakPolarHBondContact CE1-OE2 3.42Å; F48-E134 HydrophobicContact CZ-CB 4.45Å; S65-E134 WeakPolarHBondContact CB-OE1 3.42Å; S65-E134 PolarHBondContact OG-OE1 3.33Å; C132-E134 PolarHBondContact O-N 3.18Å; C132-E134 VanDerWaalsContact O-N 3.08Å; E134-N164 WeakPolarHBondContact CA-ND2 3.37Å; E134-N164 WeakPolarHBondContact CG-ND2 3.19Å
135L91.2Very high94.4Very high10 Ų1029.6 Ų29.65%0.05215%0.148CC..G310 helixtrans-108.1-6.2177.7-61.9-177.2000113.4P46 F48 L49 L101 C132 P133 F273P46-L135 HydrophobicContact CG-CD2 4.26Å; F48-L135 HydrophobicContact CE2-CD1 3.92Å; F48-L135 HydrophobicContact CE2-CG 4.34Å; F48-L135 HydrophobicContact CZ-CD1 3.97Å; F48-L135 HydrophobicContact CZ-CD2 4.29Å; F48-L135 HydrophobicContact CZ-CG 3.92Å; L49-L135 HydrophobicContact CD1-CD2 3.72Å; L49-L135 HydrophobicContact CG-CD2 4.45Å; L101-L135 HydrophobicContact CD2-CD1 3.67Å; L101-L135 HydrophobicContact CG-CD1 4.16Å; C132-L135 PolarHBondContact O-N 3.15Å; P133-L135 PolarHBondContact O-N 3.32Å; L135-F273 HydrophobicContact CD2-CE2 4.44Å
136A94.1Very high93.6Very high1 Ų126.6 Ų26.61%0.00814%0.136CC..  trans-93.8149.8-173.200000112.2I98 I99 V130 C132 P133 I163I98-A136 HydrophobicContact CG2-CB 4.25Å; I99-A136 CarbonylContact O-C 3.57Å; I99-A136 WeakPolarHBondContact O-CA 3.4Å; V130-A136 HydrophobicContact CG1-CB 3.73Å; C132-A136 PolarHBondContact O-N 3.48Å; P133-A136 PolarHBondContact O-N 3.19Å; A136-I163 HydrophobicContact CB-CB 4.41Å; A136-I163 HydrophobicContact CB-CG1 3.65Å; A136-I163 WeakPolarHBondContact O-CG1 3.42Å; A136-I163 PolarHBondContact O-N 2.69Å
137F97.3Very high92.2Very high16 Ų1628 Ų287%0.0715%0.145CC..EExtended strand (participates in β ladder)trans-123.1139.5173.2-61.8-100000108.5L29 A32 K33 I98 I99 F161 P162L29-F137 HydrophobicContact CD2-CB 3.95Å; L29-F137 HydrophobicContact CD2-CD1 4.21Å; L29-F137 HydrophobicContact CD2-CG 3.99Å; A32-F137 HydrophobicContact CB-CD1 4.33Å; A32-F137 HydrophobicContact CB-CE1 4.46Å; K33-F137 HydrophobicContact CB-CE1 3.82Å; K33-F137 HydrophobicContact CB-CZ 3.89Å; K33-F137 HydrophobicContact CD-CZ 4.27Å; K33-F137 HydrophobicContact CG-CE1 4.48Å; K33-F137 HydrophobicContact CG-CZ 4.19Å; I98-F137 CarbonylContact C-O 3.58Å; I98-F137 WeakPolarHBondContact CA-O 3.21Å; I99-F137 HydrophobicContact CB-CB 4.44Å; I99-F137 PolarHBondContact N-O 3.19Å; I99-F137 PolarHBondContact O-N 3Å; F137-F161 CarbonylContact C-O 3.29Å; F137-F161 VanDerWaalsContact CA-O 3.3Å; F137-F161 WeakPolarHBondContact CA-O 3.37Å; F137-P162 HydrophobicContact CD1-CB 4.34Å; F137-P162 HydrophobicContact CD1-CG 3.97Å; F137-P162 HydrophobicContact CE1-CB 4.32Å; F137-P162 HydrophobicContact CE1-CG 3.77Å
138L97.5Very high90.3Very high2 Ų229.2 Ų29.21%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-94.8125.2163.3-178.863.4000108.3L70 V72 V96 I98 F140 A160 F161 I163 I166L70-L138 HydrophobicContact CD2-CD1 4.39Å; L70-L138 HydrophobicContact CD2-CD2 4.35Å; V72-L138 HydrophobicContact CG2-CD1 4.36Å; V72-L138 HydrophobicContact CG2-CD2 4Å; V96-L138 HydrophobicContact CG1-CD1 3.65Å; I98-L138 HydrophobicContact CD1-CB 4.27Å; I98-L138 HydrophobicContact CD1-CD1 3.7Å; L138-F140 HydrophobicContact CD1-CZ 4.32Å; L138-F140 HydrophobicContact CD2-CE1 4.49Å; L138-F140 HydrophobicContact CD2-CE2 3.64Å; L138-F140 HydrophobicContact CD2-CZ 3.43Å; L138-F140 VanDerWaalsContact CD2-CZ 3.43Å; L138-F140 HydrophobicContact CG-CE2 3.74Å; L138-F140 HydrophobicContact CG-CZ 3.76Å; L138-A160 CarbonylContact O-C 3.59Å; L138-A160 WeakPolarHBondContact O-CA 3.36Å; L138-F161 PolarHBondContact N-O 3.31Å; L138-F161 PolarHBondContact O-N 3.49Å; L138-I163 HydrophobicContact CB-CD1 3.58Å; L138-I166 HydrophobicContact CB-CD1 3.69Å; L138-I166 HydrophobicContact CD2-CD1 3.62Å; L138-I166 HydrophobicContact CG-CD1 4.33Å
139R97.1Very high88.4Confident5 Ų538.9 Ų38.92%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-120.7132.9177.2-177.5175.8179.4-123.11109.7E97 I99 A159 A160E97-R139 HydrophobicContact CB-CB 4.4Å; E97-R139 PolarHBondContact N-O 2.59Å; E97-R139 PolarHBondContact O-N 2.93Å; E97-R139 IonicContact OE2-NH1 3.31Å; E97-R139 PolarHBondContact OE2-NH1 2.97Å; I99-R139 HydrophobicContact CD1-CB 3.88Å; I99-R139 HydrophobicContact CD1-CG 4.43Å; R139-A159 CarbonylContact C-O 3.43Å; R139-A159 WeakPolarHBondContact CA-O 3.16Å; R139-A160 HydrophobicContact CB-CB 4.26Å; R139-A160 HydrophobicContact CG-CB 4.21Å
140F97.5Very high86.5Confident2 Ų240.2 Ų40.21%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-105.1131.3168.1-58.7-82.6000107.6V72 V94 E95 V96 L138 Q158 A159 F161 V173 L188 L190V72-F140 HydrophobicContact CG1-CE1 3.89Å; V72-F140 HydrophobicContact CG1-CZ 4Å; V94-F140 HydrophobicContact CG1-CD1 4.25Å; E95-F140 CarbonylContact O-C 3.58Å; E95-F140 WeakPolarHBondContact O-CA 3.36Å; V96-F140 HydrophobicContact CG1-CD1 4.29Å; V96-F140 HydrophobicContact CG1-CE1 3.91Å; V96-F140 HydrophobicContact CG2-CD1 4.04Å; V96-F140 HydrophobicContact CG2-CE1 4.1Å; L138-F140 HydrophobicContact CD1-CZ 4.32Å; L138-F140 HydrophobicContact CD2-CE1 4.49Å; L138-F140 HydrophobicContact CD2-CE2 3.64Å; L138-F140 HydrophobicContact CD2-CZ 3.43Å; L138-F140 VanDerWaalsContact CD2-CZ 3.43Å; L138-F140 HydrophobicContact CG-CE2 3.74Å; L138-F140 HydrophobicContact CG-CZ 3.76Å; F140-Q158 CarbonylContact O-C 3.55Å; F140-Q158 VanDerWaalsContact O-CA 3.22Å; F140-Q158 WeakPolarHBondContact O-CA 3.44Å; F140-A159 PolarHBondContact N-O 3.35Å; F140-A159 PolarHBondContact O-N 2.99Å; F140-F161 HydrophobicContact CD2-CE2 4.48Å; F140-F161 HydrophobicContact CE2-CD2 4.44Å; F140-V173 HydrophobicContact CD2-CG1 4.49Å; F140-L188 HydrophobicContact CB-CD1 4.05Å; F140-L188 HydrophobicContact CD1-CD1 4.14Å; F140-L188 HydrophobicContact CG-CD1 4.19Å; F140-L190 HydrophobicContact CD1-CD1 4.43Å; F140-L190 HydrophobicContact CE1-CD1 3.61Å; F140-L190 HydrophobicContact CE1-CD2 4.04Å; F140-L190 HydrophobicContact CE2-CD1 3.71Å; F140-L190 HydrophobicContact CZ-CD1 3.18Å; F140-L190 HydrophobicContact CZ-CD2 4.46Å; F140-L190 HydrophobicContact CZ-CG 4.45Å
141Y95.6Very high84.8Confident9 Ų941.7 Ų41.74%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-132121.4177.7-168.1-114.3000108.4E21 E95 E143 V155 Q158E21-Y141 PolarHBondContact OE1-OH 3.24Å; E95-Y141 PolarHBondContact N-O 2.79Å; E95-Y141 PolarHBondContact O-N 3.39Å; Y141-E143 HydrophobicContact CD1-CG 3.62Å; Y141-E143 HydrophobicContact CE1-CG 3.62Å; Y141-E143 WeakPolarHBondContact CE1-OE1 3.32Å; Y141-V155 HydrophobicContact CD2-CG1 4.27Å; Y141-V155 HydrophobicContact CE1-CG2 4.21Å; Y141-V155 HydrophobicContact CE2-CB 4.41Å; Y141-V155 HydrophobicContact CE2-CG1 3.52Å; Y141-V155 HydrophobicContact CE2-CG2 4.03Å; Y141-V155 VanDerWaalsContact CZ-CG2 3.45Å; Y141-V155 WeakPolarHBondContact OH-CG2 3.41Å; Y141-Q158 HydrophobicContact CD2-CB 3.9Å; Y141-Q158 HydrophobicContact CE2-CB 4.5Å
142V95.6Very high83.5Confident0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-107.8119.3-174-173.10000107.9L80 P92 V93 V94 I156 A157 L175 L188L80-V142 HydrophobicContact CD1-CG1 4Å; P92-V142 HydrophobicContact CB-CG1 4.23Å; V93-V142 WeakPolarHBondContact O-CA 3.39Å; V94-V142 HydrophobicContact CG2-CG2 4.33Å; V142-I156 HydrophobicContact CB-CB 4.32Å; V142-I156 HydrophobicContact CG1-CB 4.02Å; V142-I156 HydrophobicContact CG1-CD1 4.22Å; V142-I156 HydrophobicContact CG1-CG2 4.36Å; V142-I156 WeakPolarHBondContact O-CB 3.28Å; V142-I156 PolarHBondContact O-N 3.14Å; V142-A157 HydrophobicContact CB-CB 4.25Å; V142-A157 HydrophobicContact CG2-CB 4.38Å; V142-A157 PolarHBondContact N-O 3.3Å; V142-A157 PolarHBondContact O-N 2.9Å; V142-L175 HydrophobicContact CG2-CD1 4.26Å; V142-L175 HydrophobicContact CG2-CD2 4.33Å; V142-L188 HydrophobicContact CG2-CD1 4.37Å
143E92.6Very high82.4Confident26 Ų2645.3 Ų45.312%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-117.7158.3179.7-61.7-174.9139.200111.1P92 V93 R109 Y141 P154P92-E143 CarbonylContact C-O 3.51Å; P92-E143 WeakPolarHBondContact CA-O 3.43Å; V93-E143 PolarHBondContact N-O 3.39Å; V93-E143 PolarHBondContact O-N 2.86Å; R109-E143 IonicContact CZ-OE2 3.87Å; R109-E143 IonicContact NH1-OE2 3.58Å; R109-E143 PolarHBondContact NH1-OE2 2.83Å; R109-E143 IonicContact NH2-OE2 2.69Å; R109-E143 PolarHBondContact NH2-OE2 3.23Å; Y141-E143 HydrophobicContact CD1-CG 3.62Å; Y141-E143 HydrophobicContact CE1-CG 3.62Å; Y141-E143 WeakPolarHBondContact CE1-OE1 3.32Å; E143-P154 CarbonylContact C-O 3.57Å; E143-P154 VanDerWaalsContact CA-O 3.31Å; E143-P154 WeakPolarHBondContact CA-O 3.37Å
144D91.6Very high81.8Confident6 Ų647 Ų473%0.03225%0.254CS..EExtended strand (participates in β ladder)trans-88.6108.6168.6-1716.8000110.3R82 S91 D146 L147 P154 I156R82-D144 WeakPolarHBondContact CD-OD2 3.22Å; R82-D144 IonicContact CZ-OD2 3.21Å; R82-D144 IonicContact NE-OD2 3.5Å; R82-D144 IonicContact NH1-OD2 2.67Å; R82-D144 PolarHBondContact NH1-OD2 3.27Å; S91-D144 PolarHBondContact N-OD1 3.17Å; D144-D146 VanDerWaalsContact C-N 3.32Å; D144-D146 PolarHBondContact O-N 3.4Å; D144-L147 HydrophobicContact CB-CD1 3.69Å; D144-L147 HydrophobicContact CB-CG 3.97Å; D144-P154 PolarHBondContact N-O 3.27Å; D144-I156 HydrophobicContact CB-CD1 3.99Å; D144-I156 HydrophobicContact CB-CG1 4.22Å
145G88Confident81.7Confident33 Ų3344.9 Ų44.934%0.3425%0.246SC..THydrogen-bonded Turntrans-74-16.5-175.200000115S91 L147S91-G145 PolarHBondContact O-N 2.88Å; G145-L147 VanDerWaalsContact C-N 3.29Å; G145-L147 PolarHBondContact O-N 2.79Å
146D78.8Confident81.7Confident76 Ų7645 Ų4541%0.40625%0.246SC..THydrogen-bonded Turntrans-84.7-2.4-179.4-82.43.7000113.3S91 D144 V148S91-D146 WeakPolarHBondContact CB-OD1 3.26Å; S91-D146 VanDerWaalsContact CB-OD2 3.31Å; S91-D146 WeakPolarHBondContact CB-OD2 3.42Å; S91-D146 PolarHBondContact OG-OD1 3.35Å; S91-D146 PolarHBondContact OG-OD2 2.93Å; D144-D146 VanDerWaalsContact C-N 3.32Å; D144-D146 PolarHBondContact O-N 3.4Å; D146-V148 VanDerWaalsContact C-N 3.3Å; D146-V148 PolarHBondContact O-N 2.76Å
147L69.9Low81.8Confident50 Ų5044.9 Ų44.926%0.26225%0.246SC..  trans-77.880.5-179.8-64.4176.4000111D144 G145 Y149 S151 P154D144-L147 HydrophobicContact CB-CD1 3.69Å; D144-L147 HydrophobicContact CB-CG 3.97Å; G145-L147 VanDerWaalsContact C-N 3.29Å; G145-L147 PolarHBondContact O-N 2.79Å; L147-Y149 PolarHBondContact O-N 2.9Å; L147-S151 WeakPolarHBondContact CD1-OG 3.47Å; L147-P154 HydrophobicContact CD1-CB 4.2Å
148V56.8Low81.7Confident121 Ų12144.3 Ų44.373%0.73324%0.244SC*.  trans-86.685.8166.2-178.10000107.8D146D146-V148 VanDerWaalsContact C-N 3.3Å; D146-V148 PolarHBondContact O-N 2.76Å
149Y57.6Low81.7Confident205 Ų20544.4 Ų44.480%0.80424%0.244SC*.SBendtrans169.2163.9162.3-89.3-59.5000106.3L147 S151L147-Y149 PolarHBondContact O-N 2.9Å; Y149-S151 PolarHBondContact O-N 2.9Å
150P55.9Low81.7Confident93 Ų9344.4 Ų44.460%0.60425%0.245SC*.  trans-69.372.1178.129.7-33.9000110
151S58.1Low81.6Confident31 Ų3147 Ų4722%0.21726%0.257CS..  trans-74.4129.5171.967.90000107.5L147 Y149 E153L147-S151 WeakPolarHBondContact CD1-OG 3.47Å; Y149-S151 PolarHBondContact O-N 2.9Å; S151-E153 PolarHBondContact O-N 3.37Å
152T62.1Low81.6Confident86 Ų8647.4 Ų47.453%0.52826%0.26SS..SBendtrans-58.7-20.6-173.9-43.10000113.6
153E68.9Low81.6Confident97 Ų9747.6 Ų47.645%0.45326%0.261SS..  trans-150.983-171.8-62.1177.9-17200111.3S151 V155S151-E153 PolarHBondContact O-N 3.37Å; E153-V155 PolarHBondContact O-N 3.12Å
154P80.3Confident81.6Confident43 Ų4351.2 Ų51.228%0.27928%0.282SS..  trans-73.1-10175.131.3-35000113E143 D144 L147 I156E143-P154 CarbonylContact C-O 3.57Å; E143-P154 VanDerWaalsContact CA-O 3.31Å; E143-P154 WeakPolarHBondContact CA-O 3.37Å; D144-P154 PolarHBondContact N-O 3.27Å; L147-P154 HydrophobicContact CD1-CB 4.2Å; P154-I156 PolarHBondContact O-N 3.42Å
155V88.7Confident81.6Confident31 Ų3153.6 Ų53.619%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-75.3120.6-172.3-167.50000110.7Y141 E153Y141-V155 HydrophobicContact CD2-CG1 4.27Å; Y141-V155 HydrophobicContact CE1-CG2 4.21Å; Y141-V155 HydrophobicContact CE2-CB 4.41Å; Y141-V155 HydrophobicContact CE2-CG1 3.52Å; Y141-V155 HydrophobicContact CE2-CG2 4.03Å; Y141-V155 VanDerWaalsContact CZ-CG2 3.45Å; Y141-V155 WeakPolarHBondContact OH-CG2 3.41Å; E153-V155 PolarHBondContact O-N 3.12Å
156I92.3Very high82Confident11 Ų1153.5 Ų53.56%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-87.8-51.6170.6-60.8174.2000109L80 V90 P92 V142 D144 P154L80-I156 HydrophobicContact CB-CG2 4.18Å; V90-I156 HydrophobicContact CB-CD1 3.87Å; V90-I156 HydrophobicContact CG1-CD1 4.01Å; V90-I156 HydrophobicContact CG2-CD1 4.17Å; P92-I156 HydrophobicContact CB-CD1 4.29Å; V142-I156 HydrophobicContact CB-CB 4.32Å; V142-I156 HydrophobicContact CG1-CB 4.02Å; V142-I156 HydrophobicContact CG1-CD1 4.22Å; V142-I156 HydrophobicContact CG1-CG2 4.36Å; V142-I156 WeakPolarHBondContact O-CB 3.28Å; V142-I156 PolarHBondContact O-N 3.14Å; D144-I156 HydrophobicContact CB-CD1 3.99Å; D144-I156 HydrophobicContact CB-CG1 4.22Å; P154-I156 PolarHBondContact O-N 3.42Å
157A95.2Very high82.8Confident0 Ų058.4 Ų58.40%030%0.303CS..EExtended strand (participates in β ladder)trans-161.5169.4-174.800000113.3V142 L175 R176 L183V142-A157 HydrophobicContact CB-CB 4.25Å; V142-A157 HydrophobicContact CG2-CB 4.38Å; V142-A157 PolarHBondContact N-O 3.3Å; V142-A157 PolarHBondContact O-N 2.9Å; A157-L175 HydrophobicContact CB-CB 3.86Å; A157-L175 HydrophobicContact CB-CD1 3.99Å; A157-L175 HydrophobicContact CB-CD2 4.4Å; A157-L175 HydrophobicContact CB-CG 4.32Å; A157-R176 CarbonylContact C-O 3.51Å; A157-R176 WeakPolarHBondContact CA-O 3.32Å; A157-R176 WeakPolarHBondContact CB-O 3.44Å; A157-L183 HydrophobicContact CB-CD1 3.56Å
158Q95.6Very high84.1Confident4 Ų459.2 Ų59.22%0.01931%0.312CS..EExtended strand (participates in β ladder)trans-149.3157.4175.964.584.922.500111.4Q28 F140 Y141 R176 N177 S180Q28-Q158 HydrophobicContact CG-CG 4.22Å; F140-Q158 CarbonylContact O-C 3.55Å; F140-Q158 VanDerWaalsContact O-CA 3.22Å; F140-Q158 WeakPolarHBondContact O-CA 3.44Å; Y141-Q158 HydrophobicContact CD2-CB 3.9Å; Y141-Q158 HydrophobicContact CE2-CB 4.5Å; Q158-R176 PolarHBondContact N-O 2.8Å; Q158-R176 PolarHBondContact O-N 3.44Å; Q158-N177 PolarHBondContact NE2-O 3.46Å; Q158-S180 PolarHBondContact NE2-OG 3.49Å
159A97Very high86.1Confident3 Ų354.7 Ų54.73%0.02529%0.289CS..EExtended strand (participates in β ladder)trans-150.7138.9165.700000109.5R139 F140 F161 V173 L175R139-A159 CarbonylContact C-O 3.43Å; R139-A159 WeakPolarHBondContact CA-O 3.16Å; F140-A159 PolarHBondContact N-O 3.35Å; F140-A159 PolarHBondContact O-N 2.99Å; A159-F161 HydrophobicContact CB-CE2 3.73Å; A159-F161 HydrophobicContact CB-CZ 4.07Å; A159-V173 HydrophobicContact CB-CG1 3.65Å; A159-L175 HydrophobicContact CB-CD2 4.1Å
160A96.7Very high88Confident5 Ų552.4 Ų52.44%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-133.6139.6178.200000111L29 A32 M35 L138 R139L29-A160 HydrophobicContact CD2-CB 4.26Å; A32-A160 HydrophobicContact CB-CB 3.79Å; A32-A160 WeakPolarHBondContact CB-O 3.21Å; M35-A160 WeakPolarHBondContact CE-O 3.35Å; L138-A160 CarbonylContact O-C 3.59Å; L138-A160 WeakPolarHBondContact O-CA 3.36Å; R139-A160 HydrophobicContact CB-CB 4.26Å; R139-A160 HydrophobicContact CG-CB 4.21Å
161F96.6Very high90Very high57 Ų5753 Ų5325%0.2527%0.27CS..EExtended strand (participates in β ladder)trans-139.9135.7-178-55.4-80000110.4M35 F137 L138 F140 A159 I163 I166 V173M35-F161 HydrophobicContact CE-CD1 3.93Å; M35-F161 HydrophobicContact CE-CE1 4.04Å; F137-F161 CarbonylContact C-O 3.29Å; F137-F161 VanDerWaalsContact CA-O 3.3Å; F137-F161 WeakPolarHBondContact CA-O 3.37Å; L138-F161 PolarHBondContact N-O 3.31Å; L138-F161 PolarHBondContact O-N 3.49Å; F140-F161 HydrophobicContact CD2-CE2 4.48Å; F140-F161 HydrophobicContact CE2-CD2 4.44Å; A159-F161 HydrophobicContact CB-CE2 3.73Å; A159-F161 HydrophobicContact CB-CZ 4.07Å; F161-I163 PolarHBondContact O-N 3.47Å; F161-I166 HydrophobicContact CB-CD1 4.34Å; F161-I166 HydrophobicContact CB-CG1 4.12Å; F161-V173 HydrophobicContact CE2-CG1 3.56Å; F161-V173 HydrophobicContact CE2-CG2 4.26Å; F161-V173 HydrophobicContact CZ-CG1 3.82Å
162P95.9Very high91.9Very high17 Ų1755 Ų5511%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-60.7135.5166.5-22.736.2000110A32 V36 F137 N164 S165A32-P162 WeakPolarHBondContact O-CD 3.33Å; A32-P162 WeakPolarHBondContact O-CG 3.27Å; V36-P162 HydrophobicContact CG2-CB 4.14Å; V36-P162 HydrophobicContact CG2-CG 3.59Å; F137-P162 HydrophobicContact CD1-CB 4.34Å; F137-P162 HydrophobicContact CD1-CG 3.97Å; F137-P162 HydrophobicContact CE1-CB 4.32Å; F137-P162 HydrophobicContact CE1-CG 3.77Å; P162-N164 VanDerWaalsContact C-N 3.26Å; P162-N164 PolarHBondContact O-N 3.21Å; P162-S165 WeakPolarHBondContact O-CB 3.45Å; P162-S165 PolarHBondContact O-N 2.92Å
163I95.4Very high93.5Very high4 Ų451.6 Ų51.62%0.02126%0.264CS..G310 helixtrans-55.1-42.8-175.3-68.5-57.2000111.9I68 L70 I98 P133 A136 L138 F161 S165 I166I68-I163 HydrophobicContact CD1-CG2 3.57Å; L70-I163 HydrophobicContact CD2-CD1 3.8Å; I98-I163 HydrophobicContact CD1-CD1 3.84Å; P133-I163 HydrophobicContact CB-CB 4.29Å; P133-I163 HydrophobicContact CB-CG2 3.63Å; A136-I163 HydrophobicContact CB-CB 4.41Å; A136-I163 HydrophobicContact CB-CG1 3.65Å; A136-I163 WeakPolarHBondContact O-CG1 3.42Å; A136-I163 PolarHBondContact O-N 2.69Å; L138-I163 HydrophobicContact CB-CD1 3.58Å; F161-I163 PolarHBondContact O-N 3.47Å; I163-S165 PolarHBondContact O-N 3.49Å; I163-I166 HydrophobicContact CD1-CD1 3.79Å; I163-I166 WeakPolarHBondContact O-CB 3.42Å; I163-I166 PolarHBondContact O-N 3.18Å
164N91.7Very high94.8Very high102 Ų10250 Ų5055%0.54526%0.261SS..G310 helixtrans-63.1-12.2178.7-72.45000115P133 E134 P162P133-N164 PolarHBondContact O-OD1 3.02Å; E134-N164 WeakPolarHBondContact CA-ND2 3.37Å; E134-N164 WeakPolarHBondContact CG-ND2 3.19Å; P162-N164 VanDerWaalsContact C-N 3.26Å; P162-N164 PolarHBondContact O-N 3.21Å
165S93.1Very high95.6Very high57 Ų5748 Ų4840%0.39925%0.247SC..G310 helixtrans-96.3-5.1177.7-550000113V36 P162 I163V36-S165 WeakPolarHBondContact CG2-OG 3.43Å; P162-S165 WeakPolarHBondContact O-CB 3.45Å; P162-S165 PolarHBondContact O-N 2.92Å; I163-S165 PolarHBondContact O-N 3.49Å
166I95.2Very high96Very high31 Ų3149.1 Ų49.116%0.15925%0.248CC..  trans-83.9141.1-177-58176.5000109.7L138 F161 I163 V192 I194L138-I166 HydrophobicContact CB-CD1 3.69Å; L138-I166 HydrophobicContact CD2-CD1 3.62Å; L138-I166 HydrophobicContact CG-CD1 4.33Å; F161-I166 HydrophobicContact CB-CD1 4.34Å; F161-I166 HydrophobicContact CB-CG1 4.12Å; I163-I166 HydrophobicContact CD1-CD1 3.79Å; I163-I166 WeakPolarHBondContact O-CB 3.42Å; I163-I166 PolarHBondContact O-N 3.18Å; I166-V192 HydrophobicContact CG2-CG1 3.87Å; I166-I194 HydrophobicContact CG2-CD1 4.46Å
167R95.6Very high96Very high178 Ų17849.3 Ų49.367%0.67225%0.249SC*.  trans-113137.9176.1-63.7-177.8179.4-175.2-0.6109.9R171R167-R171 PolarHBondContact O-NE 3.16Å
168P97.3Very high95.6Very high68 Ų6850.8 Ų50.844%0.44226%0.256SS..SBendtrans-67.4169.7179.130.2-36.3000112.5R171 V192P168-R171 PolarHBondContact O-NE 3.2Å; P168-R171 PolarHBondContact O-NH2 3.19Å; P168-V192 CarbonylContact C-O 3.6Å; P168-V192 WeakPolarHBondContact CA-O 3.27Å; P168-V192 WeakPolarHBondContact CB-O 3.24Å
169G98.2Very high95.2Very high25 Ų2556 Ų5626%0.25828%0.28SS..EExtended strand (participates in β ladder)trans92.9-165.1-17900000113.7V192G169-V192 PolarHBondContact N-O 2.86Å; G169-V192 PolarHBondContact O-N 3.04Å
170Y98.4Very high94.9Very high157 Ų15756.5 Ų56.562%0.61628%0.284SS*.EExtended strand (participates in β ladder)trans-75.1125.4176.8-65.2-86.6000111.3I75 L190 H191I75-Y170 HydrophobicContact CD1-CD1 3.79Å; I75-Y170 HydrophobicContact CD1-CE1 3.66Å; Y170-L190 CarbonylContact C-O 3.58Å; Y170-L190 VanDerWaalsContact CA-O 3.3Å; Y170-L190 WeakPolarHBondContact CA-O 3.22Å; Y170-H191 HydrophobicContact CD1-CB 3.94Å; Y170-H191 AromaticContact CD2-CD2 3.89Å; Y170-H191 HydrophobicContact CE1-CB 3.87Å; Y170-H191 AromaticContact CE1-CD2 3.99Å; Y170-H191 AromaticContact CE2-CD2 3.71Å; Y170-H191 AromaticContact CZ-CD2 3.77Å
171R97.9Very high94.6Very high105 Ų10561.9 Ų61.940%0.39631%0.308SS..EExtended strand (participates in β ladder)trans-134.1136.4-175.3-60.3-63.5173.6-161.9-6.5111.1R167 P168 L190R167-R171 PolarHBondContact O-NE 3.16Å; P168-R171 PolarHBondContact O-NE 3.2Å; P168-R171 PolarHBondContact O-NH2 3.19Å; R171-L190 PolarHBondContact N-O 2.64Å; R171-L190 PolarHBondContact O-N 3.35Å
172S97.3Very high94.5Very high75 Ų7565.6 Ų65.652%0.52433%0.326SS..EExtended strand (participates in β ladder)trans-92.7120.4167.9-179.70000108.4L188S172-L188 CarbonylContact C-O 3.52Å; S172-L188 WeakPolarHBondContact CA-O 3.48Å
173V96.5Very high94.4Very high14 Ų1466.6 Ų66.69%0.08533%0.33CS..EExtended strand (participates in β ladder)trans-103.3110178169.10000108.8F140 A159 F161 A187 L188 L190F140-V173 HydrophobicContact CD2-CG1 4.49Å; A159-V173 HydrophobicContact CB-CG1 3.65Å; F161-V173 HydrophobicContact CE2-CG1 3.56Å; F161-V173 HydrophobicContact CE2-CG2 4.26Å; F161-V173 HydrophobicContact CZ-CG1 3.82Å; V173-A187 CarbonylContact O-C 3.55Å; V173-A187 WeakPolarHBondContact O-CA 3.49Å; V173-A187 WeakPolarHBondContact O-CB 3.36Å; V173-L188 HydrophobicContact CB-CB 4.45Å; V173-L188 PolarHBondContact N-O 2.98Å; V173-L188 PolarHBondContact O-N 3.29Å; V173-L190 HydrophobicContact CB-CD1 4.33Å; V173-L190 HydrophobicContact CG2-CD1 3.53Å; V173-L190 HydrophobicContact CG2-CG 4.31Å
174T96.9Very high94.3Very high63 Ų6374.4 Ų74.439%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-66.6132.7171.8-52.80000110E182T174-E182 HydrophobicContact CG2-CG 3.63Å; T174-E182 WeakPolarHBondContact CG2-OE1 3.48Å
175L97.2Very high94.4Very high0 Ų074.2 Ų74.20%037%0.365CS..EExtended strand (participates in β ladder)trans-95153.8-176.7-69.3175.2000112L80 V142 A157 A159 L183 S186 L188L80-L175 HydrophobicContact CD2-CD1 3.31Å; V142-L175 HydrophobicContact CG2-CD1 4.26Å; V142-L175 HydrophobicContact CG2-CD2 4.33Å; A157-L175 HydrophobicContact CB-CB 3.86Å; A157-L175 HydrophobicContact CB-CD1 3.99Å; A157-L175 HydrophobicContact CB-CD2 4.4Å; A157-L175 HydrophobicContact CB-CG 4.32Å; A159-L175 HydrophobicContact CB-CD2 4.1Å; L175-L183 PolarHBondContact O-N 3.43Å; L175-S186 PolarHBondContact N-O 2.88Å; L175-L188 HydrophobicContact CD1-CD2 4.37Å; L175-L188 HydrophobicContact CD1-CG 4.07Å; L175-L188 HydrophobicContact CD2-CD1 4.08Å; L175-L188 HydrophobicContact CD2-CG 4.05Å; L175-L188 HydrophobicContact CG-CG 4.32Å
176R95.4Very high94.6Very high56 Ų5671.8 Ų71.821%0.21135%0.348CS..EExtended strand (participates in β ladder)trans-124.3157.1178.5-65.9-178.7173.2174.75110.9A157 Q158 E181A157-R176 CarbonylContact C-O 3.51Å; A157-R176 WeakPolarHBondContact CA-O 3.32Å; A157-R176 WeakPolarHBondContact CB-O 3.44Å; Q158-R176 PolarHBondContact N-O 2.8Å; Q158-R176 PolarHBondContact O-N 3.44Å; R176-E181 CarbonylContact C-O 3.53Å; R176-E181 WeakPolarHBondContact CA-O 3.31Å; R176-E181 VanDerWaalsContact CB-O 3.27Å; R176-E181 WeakPolarHBondContact CB-O 3.38Å
177N92.1Very high94.7Very high14 Ų1470.4 Ų70.48%0.07534%0.341CS..  trans-76.3-179171.771.612.5000111.4Q158 H179 S180 E181 L183Q158-N177 PolarHBondContact NE2-O 3.46Å; N177-H179 PolarHBondContact O-N 3.4Å; N177-H179 VanDerWaalsContact OD1-C 3.32Å; N177-H179 WeakPolarHBondContact OD1-CA 3.31Å; N177-H179 WeakPolarHBondContact OD1-CB 3.15Å; N177-H179 PolarHBondContact OD1-N 3.09Å; N177-S180 PolarHBondContact O-N 3.15Å; N177-S180 PolarHBondContact OD1-N 3.44Å; N177-S180 VanDerWaalsContact OD1-N 3.11Å; N177-E181 PolarHBondContact N-O 3.44Å; N177-E181 PolarHBondContact ND2-OE2 2.86Å; N177-E181 PolarHBondContact OD1-N 2.83Å; N177-L183 HydrophobicContact CB-CD2 4.02Å; N177-L183 HydrophobicContact CB-CG 4.25Å
178E88.6Confident94.9Very high31 Ų3162 Ų6215%0.14531%0.31CS..THydrogen-bonded Turntrans-58.6-29.1177.570.2-169.5145.600113.9Q28 K83 S180Q28-E178 PolarHBondContact NE2-O 3.42Å; K83-E178 IonicContact NZ-OE1 2.58Å; K83-E178 PolarHBondContact NZ-OE1 3.39Å; E178-S180 PolarHBondContact O-N 2.9Å
179H87.4Confident94.9Very high114 Ų11462.3 Ų62.353%0.52831%0.307SS..THydrogen-bonded Turntrans-86.98177.9-53.3113.4000112.7N177 E181N177-H179 PolarHBondContact O-N 3.4Å; N177-H179 VanDerWaalsContact OD1-C 3.32Å; N177-H179 WeakPolarHBondContact OD1-CA 3.31Å; N177-H179 WeakPolarHBondContact OD1-CB 3.15Å; N177-H179 PolarHBondContact OD1-N 3.09Å; H179-E181 HydrophobicContact CB-CG 4.25Å; H179-E181 PolarHBondContact O-N 3.07Å
180S89.5Confident94.9Very high13 Ų1361.2 Ų61.29%0.09130%0.295CS..SBendtrans66.324.3177.6-100.60000114.1Q31 Q158 N177 E178Q31-S180 PolarHBondContact NE2-O 3.3Å; Q31-S180 PolarHBondContact OE1-OG 3.03Å; Q158-S180 PolarHBondContact NE2-OG 3.49Å; N177-S180 PolarHBondContact O-N 3.15Å; N177-S180 PolarHBondContact OD1-N 3.44Å; N177-S180 VanDerWaalsContact OD1-N 3.11Å; E178-S180 PolarHBondContact O-N 2.9Å
181E91.6Very high95Very high118 Ų11856.3 Ų56.355%0.55128%0.278SS*.PPolyproline II helixtrans-90.6142.9170.6-53.7173.4132.500110R176 N177 H179 L183R176-E181 CarbonylContact C-O 3.53Å; R176-E181 WeakPolarHBondContact CA-O 3.31Å; R176-E181 VanDerWaalsContact CB-O 3.27Å; R176-E181 WeakPolarHBondContact CB-O 3.38Å; N177-E181 PolarHBondContact N-O 3.44Å; N177-E181 PolarHBondContact ND2-OE2 2.86Å; N177-E181 PolarHBondContact OD1-N 2.83Å; H179-E181 HydrophobicContact CB-CG 4.25Å; H179-E181 PolarHBondContact O-N 3.07Å; E181-L183 PolarHBondContact O-N 2.9Å
182E93.2Very high95Very high135 Ų13551.5 Ų51.563%0.63126%0.26SS*.EExtended strand (participates in β ladder)trans-67131.1-179.3-168.3168.9155.900111.6T174T174-E182 HydrophobicContact CG2-CG 3.63Å; T174-E182 WeakPolarHBondContact CG2-OE1 3.48Å
183L94.2Very high95Very high39 Ų3950.6 Ų50.620%0.20425%0.25CC..EExtended strand (participates in β ladder)trans-89.4124.3174-71.3172.7000109.2A157 L175 N177 E181 L185 S186A157-L183 HydrophobicContact CB-CD1 3.56Å; L175-L183 PolarHBondContact O-N 3.43Å; N177-L183 HydrophobicContact CB-CD2 4.02Å; N177-L183 HydrophobicContact CB-CG 4.25Å; E181-L183 PolarHBondContact O-N 2.9Å; L183-L185 PolarHBondContact O-N 2.9Å; L183-S186 PolarHBondContact O-N 3.43Å
184E92.9Very high95Very high168 Ų16851.3 Ų51.379%0.78525%0.253SS*.EExtended strand (participates in β ladder)trans-58.5131.5-178.8-154.6-172.8166.300110.7S186E184-S186 PolarHBondContact O-N 2.89Å; E184-S186 PolarHBondContact O-OG 2.96Å
185L94.8Very high95Very high97 Ų9753.3 Ų53.351%0.50826%0.258SS..EExtended strand (participates in β ladder)trans63.3-20.9-180-50.1176.4000116.3R78 H79 L183 A187R78-L185 WeakPolarHBondContact CG-O 3.38Å; R78-L185 PolarHBondContact NE-O 3.46Å; H79-L185 HydrophobicContact CB-CB 4.07Å; L183-L185 PolarHBondContact O-N 2.9Å; L185-A187 PolarHBondContact O-N 2.89Å
186S96.9Very high94.7Very high6 Ų660.7 Ų60.74%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-64.9120.5-173.5-63.60000111.3R78 H79 L175 L183 E184R78-S186 WeakPolarHBondContact O-CA 3.37Å; H79-S186 PolarHBondContact O-OG 3.32Å; L175-S186 PolarHBondContact N-O 2.88Å; L183-S186 PolarHBondContact O-N 3.43Å; E184-S186 PolarHBondContact O-N 2.89Å; E184-S186 PolarHBondContact O-OG 2.96Å
187A98Very high94.2Very high2 Ų261.8 Ų61.82%0.01729%0.294CS..EExtended strand (participates in β ladder)trans-152.2154.9179.700000112.6G77 R78 V173 L185G77-A187 CarbonylContact C-O 3.43Å; G77-A187 WeakPolarHBondContact CA-O 3.4Å; R78-A187 HydrophobicContact CG-CB 4.17Å; R78-A187 PolarHBondContact N-O 2.83Å; R78-A187 PolarHBondContact O-N 3.5Å; V173-A187 CarbonylContact O-C 3.55Å; V173-A187 WeakPolarHBondContact O-CA 3.49Å; V173-A187 WeakPolarHBondContact O-CB 3.36Å; L185-A187 PolarHBondContact O-N 2.89Å
188L98.3Very high93Very high1 Ų167.8 Ų67.81%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-102.1139.8164.5-62.9176.3000109.9V94 W122 F140 V142 S172 V173 L175 L190V94-L188 HydrophobicContact CG1-CD1 4.01Å; V94-L188 HydrophobicContact CG2-CD1 4.43Å; V94-L188 HydrophobicContact CG2-CD2 4.14Å; W122-L188 HydrophobicContact CH2-CD2 4.41Å; W122-L188 HydrophobicContact CZ3-CD2 4.06Å; F140-L188 HydrophobicContact CB-CD1 4.05Å; F140-L188 HydrophobicContact CD1-CD1 4.14Å; F140-L188 HydrophobicContact CG-CD1 4.19Å; V142-L188 HydrophobicContact CG2-CD1 4.37Å; S172-L188 CarbonylContact C-O 3.52Å; S172-L188 WeakPolarHBondContact CA-O 3.48Å; V173-L188 HydrophobicContact CB-CB 4.45Å; V173-L188 PolarHBondContact N-O 2.98Å; V173-L188 PolarHBondContact O-N 3.29Å; L175-L188 HydrophobicContact CD1-CD2 4.37Å; L175-L188 HydrophobicContact CD1-CG 4.07Å; L175-L188 HydrophobicContact CD2-CD1 4.08Å; L175-L188 HydrophobicContact CD2-CG 4.05Å; L175-L188 HydrophobicContact CG-CG 4.32Å; L188-L190 HydrophobicContact CB-CD2 4.09Å; L188-L190 HydrophobicContact CB-CG 4.29Å
189L98.5Very high91.3Very high75 Ų7572.9 Ų72.939%0.39335%0.35SS..EExtended strand (participates in β ladder)trans-95.1122165.6178.363.1000108.5I75 A76I75-L189 HydrophobicContact CB-CD2 4.33Å; I75-L189 HydrophobicContact CB-CG 4.22Å; I75-L189 WeakPolarHBondContact CB-O 3.45Å; I75-L189 HydrophobicContact CD1-CD2 4.48Å; I75-L189 HydrophobicContact CD1-CG 4.2Å; I75-L189 HydrophobicContact CG2-CD2 4.02Å; I75-L189 HydrophobicContact CG2-CG 4.46Å; I75-L189 PolarHBondContact N-O 2.96Å; A76-L189 PolarHBondContact N-O 3.1Å; A76-L189 PolarHBondContact O-N 3.01Å
190L98.4Very high89.2Confident2 Ų273.3 Ų73.31%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-124.9153.1-178-53177.2000110.7E73 V74 F140 Y170 R171 V173 L188 V192E73-L190 CarbonylContact O-C 3.55Å; E73-L190 WeakPolarHBondContact O-CA 3.03Å; V74-L190 HydrophobicContact CB-CD2 4.24Å; V74-L190 HydrophobicContact CG1-CD2 4.25Å; V74-L190 HydrophobicContact CG2-CD2 3.99Å; F140-L190 HydrophobicContact CD1-CD1 4.43Å; F140-L190 HydrophobicContact CE1-CD1 3.61Å; F140-L190 HydrophobicContact CE1-CD2 4.04Å; F140-L190 HydrophobicContact CE2-CD1 3.71Å; F140-L190 HydrophobicContact CZ-CD1 3.18Å; F140-L190 HydrophobicContact CZ-CD2 4.46Å; F140-L190 HydrophobicContact CZ-CG 4.45Å; Y170-L190 CarbonylContact C-O 3.58Å; Y170-L190 VanDerWaalsContact CA-O 3.3Å; Y170-L190 WeakPolarHBondContact CA-O 3.22Å; R171-L190 PolarHBondContact N-O 2.64Å; R171-L190 PolarHBondContact O-N 3.35Å; V173-L190 HydrophobicContact CB-CD1 4.33Å; V173-L190 HydrophobicContact CG2-CD1 3.53Å; V173-L190 HydrophobicContact CG2-CG 4.31Å; L188-L190 HydrophobicContact CB-CD2 4.09Å; L188-L190 HydrophobicContact CB-CG 4.29Å; L190-V192 HydrophobicContact CB-CG2 4.35Å
191H98.5Very high86.9Confident54 Ų5481 Ų8125%0.2540%0.395CS..EExtended strand (participates in β ladder)trans-114.1128.4158.5176-99.6000109E73 I75 Y170E73-H191 HydrophobicContact CB-CB 4.09Å; E73-H191 PolarHBondContact N-O 2.93Å; E73-H191 PolarHBondContact O-N 2.86Å; E73-H191 IonicContact OE2-ND1 2.73Å; I75-H191 HydrophobicContact CD1-CB 3.92Å; Y170-H191 HydrophobicContact CD1-CB 3.94Å; Y170-H191 AromaticContact CD2-CD2 3.89Å; Y170-H191 HydrophobicContact CE1-CB 3.87Å; Y170-H191 AromaticContact CE1-CD2 3.99Å; Y170-H191 AromaticContact CE2-CD2 3.71Å; Y170-H191 AromaticContact CZ-CD2 3.77Å
192V98.4Very high84.3Confident4 Ų483.1 Ų83.12%0.02441%0.411CS..EExtended strand (participates in β ladder)trans-120.7126.7-175.3-177.30000109.7L70 T71 I166 P168 G169 L190 I194L70-V192 HydrophobicContact CD1-CG1 3.71Å; T71-V192 WeakPolarHBondContact O-CA 2.78Å; I166-V192 HydrophobicContact CG2-CG1 3.87Å; P168-V192 CarbonylContact C-O 3.6Å; P168-V192 WeakPolarHBondContact CA-O 3.27Å; P168-V192 WeakPolarHBondContact CB-O 3.24Å; G169-V192 PolarHBondContact N-O 2.86Å; G169-V192 PolarHBondContact O-N 3.04Å; L190-V192 HydrophobicContact CB-CG2 4.35Å; V192-I194 HydrophobicContact CG1-CG1 4.18Å
193D98Very high82Confident57 Ų5781.6 Ų81.631%0.30542%0.421SS..EExtended strand (participates in β ladder)trans-116.8141169.6-172.734.2000110.6T71 Q195T71-D193 PolarHBondContact N-O 3.42Å; T71-D193 PolarHBondContact O-N 3.42Å; D193-Q195 WeakPolarHBondContact OD2-CG 3.47Å; D193-Q195 PolarHBondContact OD2-NE2 3.48Å
194I97Very high79.7Confident29 Ų2983 Ų8315%0.14944%0.444CS..EExtended strand (participates in β ladder)trans-131.7110.4-177.6-58.3175.7000108.2I68 L70 I166 V192 Y196I68-I194 HydrophobicContact CB-CG2 4.34Å; I68-I194 HydrophobicContact CD1-CG2 4.1Å; I68-I194 HydrophobicContact CG2-CG2 4.25Å; L70-I194 HydrophobicContact CD1-CD1 4.41Å; L70-I194 HydrophobicContact CD1-CG1 3.77Å; I166-I194 HydrophobicContact CG2-CD1 4.46Å; V192-I194 HydrophobicContact CG1-CG1 4.18Å; I194-Y196 HydrophobicContact CG2-CE2 4.22Å
195Q95.8Very high78.1Confident105 Ų10579.5 Ų79.549%0.49143%0.43SS..EExtended strand (participates in β ladder)trans-110.1121.5178.3-56.5-176.93.200109.8I68 V69 D193I68-Q195 CarbonylContact C-O 3.16Å; I68-Q195 WeakPolarHBondContact CA-O 3.48Å; V69-Q195 HydrophobicContact CB-CB 4.31Å; V69-Q195 PolarHBondContact N-O 2.88Å; V69-Q195 PolarHBondContact O-N 3.44Å; D193-Q195 WeakPolarHBondContact OD2-CG 3.47Å; D193-Q195 PolarHBondContact OD2-NE2 3.48Å
196Y91.9Very high76.5Confident155 Ų15578.5 Ų78.561%0.60843%0.431SS*.EExtended strand (participates in β ladder)trans-80.1124.6177.1-64.6-88.1000110K66 I68 I194 N198K66-Y196 HydrophobicContact CB-CD1 4.32Å; I68-Y196 HydrophobicContact CG2-CD1 3.56Å; I68-Y196 HydrophobicContact CG2-CE1 3.81Å; I68-Y196 HydrophobicContact CG2-CG 4.27Å; I194-Y196 HydrophobicContact CG2-CE2 4.22Å; Y196-N198 PolarHBondContact O-N 3.41Å
197Q85Confident75Confident78 Ų7883.4 Ų83.436%0.36446%0.462SS..  trans-80.3112.2171.8-66.5178.3-10.800107.9S67 V69 N129 Q199S67-Q197 PolarHBondContact O-N 3.45Å; S67-Q197 WeakPolarHBondContact OG-CB 3.44Å; S67-Q197 PolarHBondContact OG-OE1 3.34Å; V69-Q197 HydrophobicContact CG2-CG 4Å; N129-Q197 PolarHBondContact OD1-NE2 3.22Å; Q197-Q199 PolarHBondContact O-N 2.92Å
198N65.4Low73.8Confident141 Ų14186.9 Ų86.975%0.75449%0.491SS*.  trans-69.2113.6170.3-67.7-37000107.6Y196 T200Y196-N198 PolarHBondContact O-N 3.41Å; N198-T200 PolarHBondContact O-N 3.34Å; N198-T200 PolarHBondContact O-OG1 3.46Å
199Q54.4Low72.7Confident138 Ų13891.5 Ų91.565%0.64552%0.515SS*.  trans-62.194.5162.9-70-174.69.900106.9Q197 E201Q197-Q199 PolarHBondContact O-N 2.92Å; Q199-E201 VanDerWaalsContact C-N 3.33Å; Q199-E201 PolarHBondContact O-N 2.93Å; Q199-E201 VanDerWaalsContact O-N 3.12Å
200T42Very low71.5Confident123 Ų12389.2 Ų89.276%0.75551%0.507SS*.  trans-79.791.6173.4-46.70000104.8N198N198-T200 PolarHBondContact O-N 3.34Å; N198-T200 PolarHBondContact O-OG1 3.46Å
201E40.9Very low70.6Confident174 Ų17496.4 Ų96.481%0.81354%0.538SS*.SBendtrans171.4109.8152.8-92.1163-151.200110.5Q199Q199-E201 VanDerWaalsContact C-N 3.33Å; Q199-E201 PolarHBondContact O-N 2.93Å; Q199-E201 VanDerWaalsContact O-N 3.12Å
202N38.4Very low69.6Low163 Ų16396.1 Ų96.187%0.87255%0.545SS*.  trans6748.9159.7-61.7-21000120.7
203A45.4Very low68.7Low103 Ų103100.5 Ų100.585%0.85157%0.566SS**  trans-94.989.3143.600000107.3I205A203-I205 PolarHBondContact O-N 2.51Å
204G45.1Very low67.7Low67 Ų67102.9 Ų102.969%0.69158%0.579SS**  trans-44.8133.3179.200000110.6C206G204-C206 PolarHBondContact O-N 3.4Å
205I58.6Low66.8Low96 Ų96105.2 Ų105.249%0.49260%0.597SS.*  trans-35.8120.2163.1-60.5167.6000106.6A203 I209 A210 M213A203-I205 PolarHBondContact O-N 2.51Å; I205-I209 HydrophobicContact CG2-CB 3.47Å; I205-I209 VanDerWaalsContact CG2-CB 3.47Å; I205-I209 HydrophobicContact CG2-CG2 3.43Å; I205-I209 VanDerWaalsContact CG2-CG2 3.43Å; I205-A210 HydrophobicContact CB-CB 4.08Å; I205-A210 HydrophobicContact CG2-CB 3.78Å; I205-M213 HydrophobicContact CD1-SD 4.01Å; I205-M213 HydrophobicContact CG2-SD 4.17Å
206C60.6Low65.8Low76 Ų76106.6 Ų106.651%0.51461%0.608SS.*  trans-46.7133-177.9-161.50000107.6G204 A208 I209 A210G204-C206 PolarHBondContact O-N 3.4Å; C206-A208 CarbonylContact O-C 3.51Å; C206-A208 PolarHBondContact O-N 2.79Å; C206-I209 HydrophobicContact CB-CD1 4.03Å; C206-I209 HydrophobicContact CB-CG1 4.2Å; C206-I209 WeakPolarHBondContact O-CA 3.27Å; C206-I209 PolarHBondContact O-N 2.85Å; C206-A210 PolarHBondContact O-N 2.8Å
207P65.3Low64.7Low109 Ų109104.8 Ų104.871%0.70861%0.609SS**Hα-helixtrans-51.7-29.1-169.3-28.732.9000113.5K211P207-K211 WeakPolarHBondContact O-CB 3.39Å; P207-K211 PolarHBondContact O-N 3.22Å
208A74.2Confident63.8Low74 Ų74105 Ų10561%0.61262%0.623SS**Hα-helixtrans-63.9-43.7171.800000113.9C206 A212C206-A208 CarbonylContact O-C 3.51Å; C206-A208 PolarHBondContact O-N 2.79Å; A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.2Å; A208-A212 PolarHBondContact O-N 3.27Å
209I75.5Confident63.5Low99 Ų99101.6 Ų101.651%0.50862%0.621SS.*Hα-helixtrans-71.3-39.6176.3-57.4171.9000109.9I205 C206 A212 M213I205-I209 HydrophobicContact CG2-CB 3.47Å; I205-I209 VanDerWaalsContact CG2-CB 3.47Å; I205-I209 HydrophobicContact CG2-CG2 3.43Å; I205-I209 VanDerWaalsContact CG2-CG2 3.43Å; C206-I209 HydrophobicContact CB-CD1 4.03Å; C206-I209 HydrophobicContact CB-CG1 4.2Å; C206-I209 WeakPolarHBondContact O-CA 3.27Å; C206-I209 PolarHBondContact O-N 2.85Å; I209-A212 WeakPolarHBondContact O-CB 3.05Å; I209-A212 PolarHBondContact O-N 3.31Å; I209-M213 HydrophobicContact CG2-CG 4.42Å; I209-M213 HydrophobicContact CG2-SD 4.05Å; I209-M213 VanDerWaalsContact O-CG 3.26Å; I209-M213 WeakPolarHBondContact O-CG 3.37Å; I209-M213 PolarHBondContact O-N 2.84Å
210A72.7Confident63.5Low27 Ų27101.9 Ų101.922%0.22363%0.628CS.*Hα-helixtrans-63.4-47.5178.600000110.2I205 C206 A212 M213 D214I205-A210 HydrophobicContact CB-CB 4.08Å; I205-A210 HydrophobicContact CG2-CB 3.78Å; C206-A210 PolarHBondContact O-N 2.8Å; A210-A212 VanDerWaalsContact C-N 3.3Å; A210-A212 PolarHBondContact O-N 2.85Å; A210-M213 PolarHBondContact O-N 2.62Å; A210-M213 VanDerWaalsContact O-N 3.16Å; A210-D214 PolarHBondContact O-N 3.12Å
211K79Confident63.8Low152 Ų152103.9 Ų103.966%0.66163%0.628SS**Hα-helixtrans-62.2-36174.7-169175.1-175.8178.60112.7P207 S215P207-K211 WeakPolarHBondContact O-CB 3.39Å; P207-K211 PolarHBondContact O-N 3.22Å; K211-S215 WeakPolarHBondContact O-CB 3.21Å; K211-S215 PolarHBondContact O-N 2.76Å; K211-S215 PolarHBondContact O-OG 2.79Å
212A78.1Confident63.9Low48 Ų48103.1 Ų103.140%0.39763%0.63SS.*Hα-helixtrans-67-41.2174.800000111.7A208 I209 A210 S215 L216A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.2Å; A208-A212 PolarHBondContact O-N 3.27Å; I209-A212 WeakPolarHBondContact O-CB 3.05Å; I209-A212 PolarHBondContact O-N 3.31Å; A210-A212 VanDerWaalsContact C-N 3.3Å; A210-A212 PolarHBondContact O-N 2.85Å; A212-S215 PolarHBondContact O-N 3.19Å; A212-L216 WeakPolarHBondContact O-CG 3.49Å; A212-L216 PolarHBondContact O-N 3.49Å; A212-L216 VanDerWaalsContact O-N 3.07Å
213M78.5Confident63.9Low96 Ų96102.1 Ų102.147%0.47363%0.634SS.*Hα-helixtrans-65.2-43.8175.6-68.1173.496.500111.5I205 I209 A210 S215 L216 N217I205-M213 HydrophobicContact CD1-SD 4.01Å; I205-M213 HydrophobicContact CG2-SD 4.17Å; I209-M213 HydrophobicContact CG2-CG 4.42Å; I209-M213 HydrophobicContact CG2-SD 4.05Å; I209-M213 VanDerWaalsContact O-CG 3.26Å; I209-M213 WeakPolarHBondContact O-CG 3.37Å; I209-M213 PolarHBondContact O-N 2.84Å; A210-M213 PolarHBondContact O-N 2.62Å; A210-M213 VanDerWaalsContact O-N 3.16Å; M213-S215 VanDerWaalsContact C-N 3.33Å; M213-S215 PolarHBondContact O-N 3.39Å; M213-L216 PolarHBondContact O-N 3.11Å; M213-N217 PolarHBondContact O-N 2.99Å; M213-N217 VanDerWaalsContact O-N 3.1Å; M213-N217 PolarHBondContact O-ND2 2.84Å
214D77.9Confident63.9Low108 Ų108102.4 Ų102.458%0.57863%0.63SS**Hα-helixtrans-62.4-40.5175.7-68.8-21.7000111.8A210 L216 N217 A218A210-D214 PolarHBondContact O-N 3.12Å; D214-L216 VanDerWaalsContact C-N 3.33Å; D214-L216 PolarHBondContact O-N 3.29Å; D214-N217 PolarHBondContact O-N 3.33Å; D214-A218 VanDerWaalsContact O-CB 3.3Å; D214-A218 WeakPolarHBondContact O-CB 3.34Å; D214-A218 PolarHBondContact O-N 2.92Å
215S77.8Confident64.1Low77 Ų77104.6 Ų104.654%0.53863%0.634SS.*Hα-helixtrans-67.7-32.6178.8-57.20000112.7K211 A212 M213 G219K211-S215 WeakPolarHBondContact O-CB 3.21Å; K211-S215 PolarHBondContact O-N 2.76Å; K211-S215 PolarHBondContact O-OG 2.79Å; A212-S215 PolarHBondContact O-N 3.19Å; M213-S215 VanDerWaalsContact C-N 3.33Å; M213-S215 PolarHBondContact O-N 3.39Å; S215-G219 PolarHBondContact O-N 3.18Å
216L75.4Confident63.4Low135 Ų135105.7 Ų105.771%0.70765%0.648SS**Hα-helixtrans-72-36.7175.4-74.3166.4000111.9A212 M213 D214A212-L216 WeakPolarHBondContact O-CG 3.49Å; A212-L216 PolarHBondContact O-N 3.49Å; A212-L216 VanDerWaalsContact O-N 3.07Å; M213-L216 PolarHBondContact O-N 3.11Å; D214-L216 VanDerWaalsContact C-N 3.33Å; D214-L216 PolarHBondContact O-N 3.29Å
217N69.4Low62.5Low117 Ų117107.5 Ų107.563%0.62666%0.659SS**Hα-helixtrans-78.3-37179.8-68.9-27.3000112.4M213 D214 G219 N220M213-N217 PolarHBondContact O-N 2.99Å; M213-N217 VanDerWaalsContact O-N 3.1Å; M213-N217 PolarHBondContact O-ND2 2.84Å; D214-N217 PolarHBondContact O-N 3.33Å; N217-G219 VanDerWaalsContact C-N 3.26Å; N217-G219 PolarHBondContact O-N 3.24Å; N217-N220 PolarHBondContact O-N 2.82Å
218A66.2Low61.5Low82 Ų82107.3 Ų107.368%0.67866%0.66SS**Hα-helixtrans-69.4-21177.900000113.8D214 N220D214-A218 VanDerWaalsContact O-CB 3.3Å; D214-A218 WeakPolarHBondContact O-CB 3.34Å; D214-A218 PolarHBondContact O-N 2.92Å; A218-N220 VanDerWaalsContact C-N 3.29Å; A218-N220 PolarHBondContact O-N 2.93Å
219G57.7Low60.1Low69 Ų69109.1 Ų109.171%0.71167%0.668SS**THydrogen-bonded Turntrans-78.9-4.417800000115.1S215 N217S215-G219 PolarHBondContact O-N 3.18Å; N217-G219 VanDerWaalsContact C-N 3.26Å; N217-G219 PolarHBondContact O-N 3.24Å
220N53.9Low58.6Low145 Ų145109.4 Ų109.478%0.77568%0.679SS**THydrogen-bonded Turntrans-1112-170.5-146.132.1000114.5N217 A218N217-N220 PolarHBondContact O-N 2.82Å; A218-N220 VanDerWaalsContact C-N 3.29Å; A218-N220 PolarHBondContact O-N 2.93Å
221E48.8Very low56.9Low165 Ų165113.4 Ų113.477%0.77171%0.705SS**SBendtrans-122.379.2176.6-63.1-160.415800110.2
222N44.4Very low55.2Low157 Ų157112.7 Ų112.784%0.8471%0.713SS**  trans16691.9151.3-87.5-28.9000110.2
223C36.7Very low53.6Low143 Ų143119 Ų11997%0.96674%0.737SS**  trans-159.779.3154.7-99.50000110.2
224S45.6Very low51.8Low109 Ų109120.5 Ų120.576%0.76275%0.754SS**  trans-89.3113.1164.949.50000110.5
225S49.4Very low50.1Low112 Ų112126.5 Ų126.578%0.78377%0.768SS**  trans68.7134.7157.658.90000121.4
226P44.2Very low48.1Very low120 Ų120128.5 Ų128.578%0.77978%0.782SS**  trans-98.8172.9-175.743.2-36.5000112.7
227P42.4Very low46.5Very low113 Ų113128.9 Ų128.973%0.73479%0.79SS**  -151.4161.989.637.1-17.2000117.4
228S42.9Very low45Very low106 Ų106127.2 Ų127.274%0.74179%0.788SS**  trans53.2102.2145.762.40000120.7
229S45.3Very low43.4Very low111 Ų111131.6 Ų131.678%0.77680%0.798SS**  165.8125.9109.462.50000111.7
230S43.5Very low42.3Very low106 Ų106136.2 Ų136.274%0.74180%0.799SS**  trans50.4112153.860.50000120.4
231S38.6Very low41.3Very low111 Ų111136.7 Ų136.778%0.77680%0.802SS**  trans103121.8132.681.30000118.4
232V43.7Very low40.6Very low136 Ų136137 Ų13782%0.82481%0.807SS**  trans81.4100158.4-159.60000116.9
233M42.5Very low40Very low180 Ų180135.1 Ų135.189%0.88780%0.802SS**PPolyproline II helixtrans-62.1141.8171.8-66.3-160170.500113.1
234P41.2Very low39.7Very low128 Ų128135.2 Ų135.283%0.83180%0.799SS**PPolyproline II helixtrans-93.1124.2152.68.610.8000109.9
235R41.9Very low39Very low234 Ų234134.7 Ų134.788%0.88380%0.8SS**PPolyproline II helixtrans-61.9140.1174.2-73.7175.5168.2173.7-4.2111V237R235-V237 PolarHBondContact O-N 3.31Å
236S36.1Very low38.3Very low119 Ų119138.7 Ų138.783%0.83281%0.809SS**PPolyproline II helixtrans-55.6127.4170.167.90000110.9
237V42.1Very low37.7Very low143 Ų143138.1 Ų138.187%0.86781%0.808SS**  trans-102.3105.4169.2-173.50000108.1R235R235-V237 PolarHBondContact O-N 3.31Å
238S37.6Very low37.4Very low83 Ų83138.4 Ų138.458%0.5881%0.813SS**  trans-64.8138.1173.5-164.80000110K240S238-K240 VanDerWaalsContact C-N 3.31Å; S238-K240 PolarHBondContact O-N 3.31Å
239L33.1Very low37Very low173 Ų173136.6 Ų136.691%0.90681%0.811SS**SBendtrans-57.686175.3-83.7119.3000111.6
240K34.9Very low36.5Very low166 Ų166139.3 Ų139.372%0.72282%0.817SS**  trans-15192.2169.1-57.4-176-172.4-176.90106.4S238S238-K240 VanDerWaalsContact C-N 3.31Å; S238-K240 PolarHBondContact O-N 3.31Å
241N33.1Very low36Very low156 Ų156138.3 Ų138.383%0.83482%0.815SS**  trans170.875.7155.4-82.6-12.1000108.6
242L33.1Very low35.8Very low170 Ų170140 Ų14089%0.8981%0.814SS**  trans-121.949.8168.6-121.2145.2000108.5
243T32.3Very low35.5Very low118 Ų118141.3 Ų141.372%0.72481%0.811SS**SBendtrans-163.1134170.744.50000106.8
244T30Very low35.1Very low146 Ų146137.7 Ų137.790%0.89680%0.804SS**  trans94.679.2171.1-360000115.9
245A30.6Very low34.8Very low97 Ų97136.6 Ų136.680%0.80280%0.799SS**  trans-165.768.2151.200000111.1
246M34.7Very low34.4Very low197 Ų197130.4 Ų130.497%0.9779%0.792SS**SBendtrans-138.363.4155.6-71-163.378.400108
247S32.5Very low34.2Very low107 Ų107129.2 Ų129.275%0.74878%0.783SS**SBendtrans-158.1131.7162.6-172.10000108.2
248S34.8Very low33.7Very low119 Ų119128.5 Ų128.583%0.83278%0.78SS**  trans96.1116.5165.1-46.20000117.3
249G36Very low33.5Very low69 Ų69132.3 Ų132.371%0.71179%0.788SS**  trans112.4125.4157.300000113.5
250D34.6Very low33.7Very low167 Ų167129.3 Ų129.389%0.89378%0.782SS**  cis-166.1162.5-15.6-115.2-38.8000106.2
251A32.1Very low33.8Very low85 Ų85127.8 Ų127.870%0.70278%0.781SS**  trans-48.1154-175.900000116
252L35.6Very low34.4Very low146 Ų146131.4 Ų131.476%0.76478%0.782SS**  -174.3119.3124.8-91.4163.6000112.2
253H36.3Very low35.2Very low164 Ų164132.1 Ų132.176%0.75978%0.778SS**  trans82.2109.9142.5-68.6-6.7000123.9
254S34.7Very low36.1Very low104 Ų104134 Ų13473%0.72778%0.777SS**  91.7113.5122.870.20000120
255S33.7Very low37.4Very low106 Ų106131 Ų13174%0.74175%0.754SS**  trans45.3129.9137.755.90000118.1
256S35.3Very low38.7Very low103 Ų103129.2 Ų129.272%0.7274%0.736SS**  cis179.6148.228.231.30000108.9
257S31.9Very low39.4Very low94 Ų94124.4 Ų124.466%0.65772%0.721SS**  trans61.2110.1146.252.70000121.5
258T30.5Very low40.7Very low129 Ų129123.8 Ų123.879%0.79171%0.713SS**  86134.7126.260.80000121.7
259H33.5Very low41.6Very low162 Ų162121.4 Ų121.475%0.7570%0.696SS**  trans84.778.2164-80.7-69.5000120.5L261H259-L261 PolarHBondContact O-N 2.58Å
260S36.8Very low42.8Very low111 Ų111121 Ų12178%0.77668%0.678SS**  trans-73.197.5150-176.70000109.3R262S260-R262 VanDerWaalsContact C-N 3.33Å; S260-R262 PolarHBondContact O-N 2.96Å
261L38.5Very low43.9Very low134 Ų134119.8 Ų119.870%0.70266%0.664SS**  trans-70.985.9171-77158.8000109.5H259 K263H259-L261 PolarHBondContact O-N 2.58Å; L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K263 PolarHBondContact O-N 3.24Å
262R45.7Very low45.3Very low231 Ų231123 Ų12387%0.87266%0.662SS**  trans-65.194162.9-78.8-173.6-177.6-175.21.2108.8S260 K264S260-R262 VanDerWaalsContact C-N 3.33Å; S260-R262 PolarHBondContact O-N 2.96Å; R262-K264 PolarHBondContact O-N 3.11Å
263K49.5Very low46.4Very low185 Ų185118.2 Ų118.280%0.80464%0.635SS**  trans-72.5107.2174.2-70.8-178.1-179.5174.70109.2L261 I265L261-K263 VanDerWaalsContact C-N 3.34Å; L261-K263 PolarHBondContact O-N 3.24Å; K263-I265 PolarHBondContact O-N 3Å
264K51Low47.6Very low158 Ų158112.5 Ų112.569%0.68761%0.61SS**PPolyproline II helixtrans-56.9131.6164.8-68.5-176.4176.11790108.3Y42 R262 S266Y42-K264 HydrophobicContact CE1-CG 4.13Å; Y42-K264 WeakPolarHBondContact OH-CE 3.15Å; R262-K264 PolarHBondContact O-N 3.11Å; K264-S266 PolarHBondContact O-N 3.33Å
265I57Low49Very low84 Ų84112 Ų11243%0.43160%0.599SS.*PPolyproline II helixtrans-67.1118.3171.3-66.6175.9000107K45 K263 I270K45-I265 HydrophobicContact CD-CD1 4.42Å; K45-I265 HydrophobicContact CG-CD1 4.2Å; K263-I265 PolarHBondContact O-N 3Å; I265-I270 HydrophobicContact CG2-CG1 4.01Å
266S57.5Low50.3Low58 Ų58109.6 Ų109.641%0.40658%0.577SS.*PPolyproline II helixtrans-62.1142.5172.8166.40000109.7K264 T268 S269K264-S266 PolarHBondContact O-N 3.33Å; S266-T268 PolarHBondContact O-N 2.73Å; S266-T268 WeakPolarHBondContact OG-CB 3.42Å; S266-T268 PolarHBondContact OG-N 2.74Å; S266-T268 VanDerWaalsContact OG-N 3.1Å; S266-T268 PolarHBondContact OG-OG1 2.85Å; S266-S269 WeakPolarHBondContact O-CB 3.4Å; S266-S269 PolarHBondContact O-N 3.49Å
267S50.4Low51.4Low96 Ų96106.8 Ų106.867%0.67155%0.551SS**Hα-helixtrans-51.5-25.9170.356.50000112.3S269 I270 K271S267-S269 PolarHBondContact O-N 2.98Å; S267-I270 PolarHBondContact O-N 2.67Å; S267-K271 WeakPolarHBondContact O-CB 3.11Å; S267-K271 PolarHBondContact O-N 3.22Å
268T58.9Low52.6Low95 Ų95105.1 Ų105.158%0.58353%0.534SS*.Hα-helixtrans-64-36.7173.6-390000112.8S266 K271 K272S266-T268 PolarHBondContact O-N 2.73Å; S266-T268 WeakPolarHBondContact OG-CB 3.42Å; S266-T268 PolarHBondContact OG-N 2.74Å; S266-T268 VanDerWaalsContact OG-N 3.1Å; S266-T268 PolarHBondContact OG-OG1 2.85Å; T268-K271 PolarHBondContact O-N 2.99Å; T268-K272 WeakPolarHBondContact O-CB 3.36Å; T268-K272 PolarHBondContact O-N 3.34Å
269S54Low53.7Low68 Ų68108 Ų10848%0.47654%0.536SS..Hα-helixtrans-71.2-36.7177.6-61.70000111.9S266 S267 K272 F273S266-S269 WeakPolarHBondContact O-CB 3.4Å; S266-S269 PolarHBondContact O-N 3.49Å; S267-S269 PolarHBondContact O-N 2.98Å; S269-K272 PolarHBondContact O-N 3.37Å; S269-F273 VanDerWaalsContact O-CB 3.3Å; S269-F273 WeakPolarHBondContact O-CB 3.35Å; S269-F273 PolarHBondContact O-N 3.06Å
270I60.7Low54.2Low62 Ų62108.7 Ų108.732%0.31854%0.537SS..Hα-helixtrans-64.7-45.9172.4-60.9173.5000109.3I265 S267 K272 F273 L274I265-I270 HydrophobicContact CG2-CG1 4.01Å; S267-I270 PolarHBondContact O-N 2.67Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 2.99Å; I270-F273 WeakPolarHBondContact O-CB 3.41Å; I270-F273 PolarHBondContact O-N 3.08Å; I270-L274 HydrophobicContact CG2-CD1 4.1Å; I270-L274 HydrophobicContact CG2-CG 4.34Å; I270-L274 WeakPolarHBondContact O-CB 3.09Å; I270-L274 VanDerWaalsContact O-CG 3.28Å; I270-L274 WeakPolarHBondContact O-CG 3.46Å; I270-L274 PolarHBondContact O-N 2.75Å
271K58.1Low54.6Low141 Ų141109 Ų10961%0.61354%0.536SS*.Hα-helixtrans-62.5-38.8176.9-166174-176.5177.60112.6S267 T268 L274 N275S267-K271 WeakPolarHBondContact O-CB 3.11Å; S267-K271 PolarHBondContact O-N 3.22Å; T268-K271 PolarHBondContact O-N 2.99Å; K271-L274 PolarHBondContact O-N 3.41Å; K271-N275 VanDerWaalsContact O-CB 3.31Å; K271-N275 WeakPolarHBondContact O-CB 3.22Å; K271-N275 VanDerWaalsContact O-CG 3.25Å; K271-N275 PolarHBondContact O-N 3.48Å
272K60.9Low54.9Low151 Ų151108.2 Ų108.266%0.65754%0.542SS*.Hα-helixtrans-67.7-42.7175.8-165.6174.9-176.4-179.40111.5T268 S269 I270 N275 M276T268-K272 WeakPolarHBondContact O-CB 3.36Å; T268-K272 PolarHBondContact O-N 3.34Å; S269-K272 PolarHBondContact O-N 3.37Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 2.99Å; K272-N275 PolarHBondContact O-N 2.99Å; K272-M276 WeakPolarHBondContact O-CB 3.42Å; K272-M276 PolarHBondContact O-N 2.79Å
273F58.8Low54.7Low46 Ų46104.7 Ų104.720%0.20254%0.541CS..Hα-helixtrans-57.3-52.5172.4-175.4-92.4000109.9L135 S269 I270 N275 M276 Y277L135-F273 HydrophobicContact CD2-CE2 4.44Å; S269-F273 VanDerWaalsContact O-CB 3.3Å; S269-F273 WeakPolarHBondContact O-CB 3.35Å; S269-F273 PolarHBondContact O-N 3.06Å; I270-F273 WeakPolarHBondContact O-CB 3.41Å; I270-F273 PolarHBondContact O-N 3.08Å; F273-N275 PolarHBondContact O-N 3.22Å; F273-M276 VanDerWaalsContact O-CB 3.31Å; F273-M276 WeakPolarHBondContact O-CB 3.16Å; F273-M276 PolarHBondContact O-N 2.82Å; F273-M276 VanDerWaalsContact O-N 3.15Å; F273-Y277 AromaticContact CD1-CD2 3.87Å; F273-Y277 HydrophobicContact CD1-CD2 3.87Å; F273-Y277 AromaticContact CD1-CE2 3.52Å; F273-Y277 HydrophobicContact CD1-CE2 3.52Å; F273-Y277 AromaticContact CD2-CE2 3.6Å; F273-Y277 HydrophobicContact CD2-CE2 3.6Å; F273-Y277 AromaticContact CE1-CD2 3.81Å; F273-Y277 HydrophobicContact CE1-CD2 3.81Å; F273-Y277 AromaticContact CE1-CE2 3.28Å; F273-Y277 HydrophobicContact CE1-CE2 3.28Å; F273-Y277 AromaticContact CE2-CE2 3.38Å; F273-Y277 HydrophobicContact CE2-CE2 3.38Å; F273-Y277 AromaticContact CE2-CZ 3.74Å; F273-Y277 VanDerWaalsContact CE2-OH 3.23Å; F273-Y277 WeakPolarHBondContact CE2-OH 3.26Å; F273-Y277 HydrophobicContact CG-CD2 4.27Å; F273-Y277 AromaticContact CG-CE2 3.67Å; F273-Y277 HydrophobicContact CG-CE2 3.67Å; F273-Y277 HydrophobicContact CZ-CD2 4.17Å; F273-Y277 AromaticContact CZ-CE2 3.21Å; F273-Y277 HydrophobicContact CZ-CE2 3.21Å; F273-Y277 AromaticContact CZ-CZ 3.64Å; F273-Y277 WeakPolarHBondContact CZ-OH 3.39Å; F273-Y277 WeakPolarHBondContact O-CD2 3.4Å; F273-Y277 WeakPolarHBondContact O-CE2 3.41Å; F273-Y277 PolarHBondContact O-N 3.43Å
274L61.7Low54.3Low45 Ų45104.8 Ų104.824%0.23654%0.544CS..Hα-helixtrans-59.4-44.3178.1-69.1180000113Y26 I270 K271 M276 Y277 L278Y26-L274 HydrophobicContact CD1-CD1 4.47Å; Y26-L274 HydrophobicContact CD1-CD2 3.34Å; Y26-L274 HydrophobicContact CD1-CG 4.36Å; Y26-L274 HydrophobicContact CE1-CD2 3.94Å; Y26-L274 HydrophobicContact CG-CD1 4.36Å; Y26-L274 HydrophobicContact CG-CD2 4.05Å; I270-L274 HydrophobicContact CG2-CD1 4.1Å; I270-L274 HydrophobicContact CG2-CG 4.34Å; I270-L274 WeakPolarHBondContact O-CB 3.09Å; I270-L274 VanDerWaalsContact O-CG 3.28Å; I270-L274 WeakPolarHBondContact O-CG 3.46Å; I270-L274 PolarHBondContact O-N 2.75Å; K271-L274 PolarHBondContact O-N 3.41Å; L274-M276 VanDerWaalsContact C-N 3.26Å; L274-M276 PolarHBondContact O-N 3.25Å; L274-Y277 PolarHBondContact O-N 3.22Å; L274-L278 VanDerWaalsContact O-CB 3.32Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 WeakPolarHBondContact O-CG 3.19Å; L274-L278 PolarHBondContact O-N 3.47Å; L274-L278 VanDerWaalsContact O-N 3.14Å
275N64.7Low53.6Low92 Ų92106.8 Ų106.849%0.49255%0.552SS.*Hα-helixtrans-63.3-30.9177.8-79.1-3.7000113K271 K272 F273 L278K271-N275 VanDerWaalsContact O-CB 3.31Å; K271-N275 WeakPolarHBondContact O-CB 3.22Å; K271-N275 VanDerWaalsContact O-CG 3.25Å; K271-N275 PolarHBondContact O-N 3.48Å; K272-N275 PolarHBondContact O-N 2.99Å; F273-N275 PolarHBondContact O-N 3.22Å; N275-L278 PolarHBondContact O-N 3.33Å
276M61.7Low53.2Low57 Ų57108.5 Ų108.528%0.28157%0.569SS.*Hα-helixtrans-65.9-38.9177-167179.476.500111.5P56 K272 F273 L274P56-M276 HydrophobicContact CB-SD 3.7Å; K272-M276 WeakPolarHBondContact O-CB 3.42Å; K272-M276 PolarHBondContact O-N 2.79Å; F273-M276 VanDerWaalsContact O-CB 3.31Å; F273-M276 WeakPolarHBondContact O-CB 3.16Å; F273-M276 PolarHBondContact O-N 2.82Å; F273-M276 VanDerWaalsContact O-N 3.15Å; L274-M276 VanDerWaalsContact C-N 3.26Å; L274-M276 PolarHBondContact O-N 3.25Å
277Y57.4Low52.8Low44 Ų44114.9 Ų114.917%0.17361%0.613CS.*Hα-helixtrans-83.1-13.8178.8-62.3-69.7000114.2G100 L101 F273 L274G100-Y277 WeakPolarHBondContact O-CD1 3.27Å; G100-Y277 WeakPolarHBondContact O-CE1 3.39Å; L101-Y277 HydrophobicContact CD2-CE1 4.26Å; F273-Y277 AromaticContact CD1-CD2 3.87Å; F273-Y277 HydrophobicContact CD1-CD2 3.87Å; F273-Y277 AromaticContact CD1-CE2 3.52Å; F273-Y277 HydrophobicContact CD1-CE2 3.52Å; F273-Y277 AromaticContact CD2-CE2 3.6Å; F273-Y277 HydrophobicContact CD2-CE2 3.6Å; F273-Y277 AromaticContact CE1-CD2 3.81Å; F273-Y277 HydrophobicContact CE1-CD2 3.81Å; F273-Y277 AromaticContact CE1-CE2 3.28Å; F273-Y277 HydrophobicContact CE1-CE2 3.28Å; F273-Y277 AromaticContact CE2-CE2 3.38Å; F273-Y277 HydrophobicContact CE2-CE2 3.38Å; F273-Y277 AromaticContact CE2-CZ 3.74Å; F273-Y277 VanDerWaalsContact CE2-OH 3.23Å; F273-Y277 WeakPolarHBondContact CE2-OH 3.26Å; F273-Y277 HydrophobicContact CG-CD2 4.27Å; F273-Y277 AromaticContact CG-CE2 3.67Å; F273-Y277 HydrophobicContact CG-CE2 3.67Å; F273-Y277 HydrophobicContact CZ-CD2 4.17Å; F273-Y277 AromaticContact CZ-CE2 3.21Å; F273-Y277 HydrophobicContact CZ-CE2 3.21Å; F273-Y277 AromaticContact CZ-CZ 3.64Å; F273-Y277 WeakPolarHBondContact CZ-OH 3.39Å; F273-Y277 WeakPolarHBondContact O-CD2 3.4Å; F273-Y277 WeakPolarHBondContact O-CE2 3.41Å; F273-Y277 PolarHBondContact O-N 3.43Å; L274-Y277 PolarHBondContact O-N 3.22Å
278L57.3Low52.9Low58 Ų58115.8 Ų115.830%0.30461%0.611SS.*  trans-89.4-10.1-173.1-97.7170.5000115.4L22 Y26 L274 N275 K280L22-L278 HydrophobicContact CD1-CD2 3.79Å; L22-L278 HydrophobicContact CD2-CD2 3.89Å; L22-L278 HydrophobicContact CG-CD2 4.2Å; Y26-L278 HydrophobicContact CD2-CD1 4.28Å; Y26-L278 HydrophobicContact CE1-CD1 4.45Å; Y26-L278 HydrophobicContact CE1-CG 4.23Å; Y26-L278 HydrophobicContact CE2-CD1 3.48Å; Y26-L278 VanDerWaalsContact CE2-CD1 3.48Å; Y26-L278 HydrophobicContact CE2-CD2 3.57Å; Y26-L278 HydrophobicContact CE2-CG 3.68Å; Y26-L278 VanDerWaalsContact CZ-CD2 3.43Å; Y26-L278 WeakPolarHBondContact OH-CD2 3.25Å; Y26-L278 WeakPolarHBondContact OH-CG 3.48Å; L274-L278 VanDerWaalsContact O-CB 3.32Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 WeakPolarHBondContact O-CG 3.19Å; L274-L278 PolarHBondContact O-N 3.47Å; L274-L278 VanDerWaalsContact O-N 3.14Å; N275-L278 PolarHBondContact O-N 3.33Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.43Å
279K53.4Low52.6Low189 Ų189116.9 Ų116.982%0.82261%0.612SS**  trans-7687-177.7-137.1179-177-174.50108.9
280K45.2Very low52.5Low178 Ų178119.6 Ų119.677%0.77462%0.62SS**  trans-53.7133161.3-86.6-176.5176.1177.50107.8L278 S282L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.43Å; K280-S282 PolarHBondContact O-N 2.81Å; K280-S282 VanDerWaalsContact O-N 3.17Å
281P44.7Very low52.1Low118 Ų118123 Ų12377%0.76664%0.637SS**  trans-63.3119.1169.225.5-30.4000108N283P281-N283 PolarHBondContact O-N 2.59Å
282S44.8Very low51.7Low117 Ų117121.9 Ų121.982%0.81864%0.639SS**  trans-66.798.816749.40000107.5K280 E284K280-S282 PolarHBondContact O-N 2.81Å; K280-S282 VanDerWaalsContact O-N 3.17Å; S282-E284 PolarHBondContact O-N 2.95Å
283N40.8Very low51.1Low157 Ų157119.9 Ų119.984%0.8464%0.638SS**PPolyproline II helixtrans-72.1119.4170.8-115.10.1000108.7P281P281-N283 PolarHBondContact O-N 2.59Å
284E40.9Very low50.5Low186 Ų186125.2 Ų125.287%0.86967%0.669SS**PPolyproline II helixtrans-54130.7164.8-67.3173.3146.900109.5S282S282-E284 PolarHBondContact O-N 2.95Å
285K37.5Very low49.6Very low200 Ų200131.4 Ų131.487%0.8770%0.702SS**PPolyproline II helixtrans-72.8131164-80.3-178.6175.5178.90108.1
286P48.8Very low48.4Very low121 Ų121134.7 Ų134.779%0.78672%0.72SS**PPolyproline II helixtrans-75.1145.8161.531.3-28.5000109.5
287S48.3Very low47.2Very low191 Ų191141.7 Ų141.7100%1.33676%0.76SS**  trans-47.20169.452.30000114.4

Retrieved 287 of 287 residues in 199.1 ms (Link to these results)

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