A0A077ZA87_TRITR Loading...

4HBT 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M32.9Very low63Low236 Ų236116.7 Ų116.7100%1.16359%0.588SS**  0110.80-80.516470.100107.8K3M1-K3 PolarHBondContact O-N 3.17Å; M1-K3 VanDerWaalsContact O-N 3.1Å
2Q35.3Very low64.9Low196 Ų196107 Ų10792%0.91654%0.539SS*.  trans-51.7117.9161.5-93162.4-39.500106.2M4Q2-M4 PolarHBondContact O-N 2.85Å; Q2-M4 VanDerWaalsContact O-N 3.16Å
3K39.5Very low66.5Low177 Ų177102.5 Ų102.577%0.7752%0.516SS*.  trans-52.6127.5165.5-78.5-177.9173.1-176.30105.4M1 G5M1-K3 PolarHBondContact O-N 3.17Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-G5 PolarHBondContact O-N 3.44Å
4M44Very low67.8Low181 Ų181103 Ų10389%0.89251%0.514SS*.  trans-34.5114.2161.2-92.1158.849.400106.3Q2 D6Q2-M4 PolarHBondContact O-N 2.85Å; Q2-M4 VanDerWaalsContact O-N 3.16Å; M4-D6 PolarHBondContact O-N 3.06Å; M4-D6 VanDerWaalsContact O-N 3.14Å
5G55.8Low68.6Low65 Ų6597 Ų9767%0.6749%0.485SS*.  trans-50.5126.5-165.300000109.3K3 T7K3-G5 PolarHBondContact O-N 3.44Å; G5-T7 PolarHBondContact O-N 3.3Å
6D68.8Low69.6Low52 Ų5291.1 Ų91.128%0.27846%0.455SS..  trans-45.1131.8176.2-71.5-14.9000107.4M4 Q10 Q11 K14M4-D6 PolarHBondContact O-N 3.06Å; M4-D6 VanDerWaalsContact O-N 3.14Å; D6-Q10 VanDerWaalsContact CA-OE1 3.31Å; D6-Q10 HydrophobicContact CB-CB 3.93Å; D6-Q11 HydrophobicContact CB-CG 3.72Å; D6-Q11 PolarHBondContact O-NE2 2.95Å; D6-K14 IonicContact OD2-NZ 2.95Å
7T82Confident70.7Confident63 Ų6386.1 Ų86.139%0.38743%0.43SS..  trans-58157.5178.965.20000110G5 R9 Q10 Q11G5-T7 PolarHBondContact O-N 3.3Å; T7-R9 PolarHBondContact O-N 2.93Å; T7-R9 VanDerWaalsContact O-N 3.14Å; T7-Q10 WeakPolarHBondContact O-CA 3.46Å; T7-Q10 WeakPolarHBondContact O-CB 3.39Å; T7-Q10 PolarHBondContact O-N 2.78Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.37Å; T7-Q10 PolarHBondContact OG1-N 2.98Å; T7-Q11 WeakPolarHBondContact O-CG 3.38Å; T7-Q11 PolarHBondContact O-N 3.43Å
8L81.3Confident71.8Confident26 Ų2686.4 Ų86.414%0.13643%0.434CS..Hα-helixtrans-56.4-36.2178.8-174.265000111.2Q11 F12 M171 F199 K200 E201L8-Q11 PolarHBondContact O-N 3.07Å; L8-F12 VanDerWaalsContact O-CB 3.24Å; L8-F12 WeakPolarHBondContact O-CB 3.17Å; L8-F12 PolarHBondContact O-N 3.16Å; L8-M171 WeakPolarHBondContact CD1-O 3.33Å; L8-M171 WeakPolarHBondContact CD2-O 3.25Å; L8-F199 HydrophobicContact CG-CZ 4.24Å; L8-K200 HydrophobicContact CD2-CB 3.67Å; L8-K200 HydrophobicContact CD2-CD 4.45Å; L8-E201 HydrophobicContact CB-CB 4.46Å; L8-E201 HydrophobicContact CB-CG 3.84Å; L8-E201 WeakPolarHBondContact CB-OE1 3.23Å; L8-E201 WeakPolarHBondContact CB-OE2 3.4Å; L8-E201 HydrophobicContact CD2-CG 4.12Å; L8-E201 PolarHBondContact N-OE1 3.19Å; L8-E201 PolarHBondContact N-OE2 3.39Å
9R84.2Confident73.1Confident98 Ų9882.1 Ų82.137%0.3741%0.412SS..Hα-helixtrans-53.8-52.8168.8177.8-172.7178-142.80.2112.6T7 Q11 F12 I13 F199 E201 I203T7-R9 PolarHBondContact O-N 2.93Å; T7-R9 VanDerWaalsContact O-N 3.14Å; R9-Q11 VanDerWaalsContact C-N 3.34Å; R9-Q11 PolarHBondContact O-N 2.8Å; R9-F12 PolarHBondContact O-N 3.43Å; R9-I13 HydrophobicContact CG-CD1 3.91Å; R9-I13 VanDerWaalsContact O-CG1 3.31Å; R9-I13 WeakPolarHBondContact O-CG1 3.37Å; R9-I13 PolarHBondContact O-N 3.19Å; R9-F199 HydrophobicContact CB-CE1 4.32Å; R9-E201 PolarHBondContact N-OE2 3.17Å; R9-I203 WeakPolarHBondContact CD-O 3.43Å; R9-I203 HydrophobicContact CG-CG1 4.41Å; R9-I203 PolarHBondContact NE-O 3.1Å
10Q84.4Confident74.3Confident100 Ų10082 Ų8247%0.46741%0.41SS..Hα-helixtrans-63.4-41.2-179.6-74.1171.7-22.300111.5D6 T7 K14D6-Q10 VanDerWaalsContact CA-OE1 3.31Å; D6-Q10 HydrophobicContact CB-CB 3.93Å; T7-Q10 WeakPolarHBondContact O-CA 3.46Å; T7-Q10 WeakPolarHBondContact O-CB 3.39Å; T7-Q10 PolarHBondContact O-N 2.78Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.37Å; T7-Q10 PolarHBondContact OG1-N 2.98Å; Q10-K14 WeakPolarHBondContact O-CB 3.44Å; Q10-K14 PolarHBondContact O-N 3.25Å
11Q85Confident75.4Confident90 Ų9083.2 Ų83.242%0.42142%0.415SS..Hα-helixtrans-63.4-43.8175.8-65.1-179.124.600111.6D6 T7 L8 R9 K14 T15D6-Q11 HydrophobicContact CB-CG 3.72Å; D6-Q11 PolarHBondContact O-NE2 2.95Å; T7-Q11 WeakPolarHBondContact O-CG 3.38Å; T7-Q11 PolarHBondContact O-N 3.43Å; L8-Q11 PolarHBondContact O-N 3.07Å; R9-Q11 VanDerWaalsContact C-N 3.34Å; R9-Q11 PolarHBondContact O-N 2.8Å; Q11-K14 PolarHBondContact O-N 3.25Å; Q11-T15 WeakPolarHBondContact O-CB 3.36Å; Q11-T15 PolarHBondContact O-N 3.14Å; Q11-T15 PolarHBondContact O-OG1 2.92Å
12F86.2Confident78.5Confident0 Ų074.9 Ų74.90%038%0.377CS..Hα-helixtrans-61.4-51.7176.7175.8-95.3000110.9L8 R9 K14 T15 F16 L17 F173 F199 I203 A213 F216L8-F12 VanDerWaalsContact O-CB 3.24Å; L8-F12 WeakPolarHBondContact O-CB 3.17Å; L8-F12 PolarHBondContact O-N 3.16Å; R9-F12 PolarHBondContact O-N 3.43Å; F12-K14 PolarHBondContact O-N 2.95Å; F12-T15 PolarHBondContact O-N 3.07Å; F12-F16 HydrophobicContact CB-CD2 4.26Å; F12-F16 AromaticContact CD2-CD2 3.1Å; F12-F16 HydrophobicContact CD2-CD2 3.1Å; F12-F16 AromaticContact CD2-CE2 3.5Å; F12-F16 HydrophobicContact CD2-CE2 3.5Å; F12-F16 VanDerWaalsContact CD2-CE2 3.5Å; F12-F16 HydrophobicContact CD2-CG 4.13Å; F12-F16 HydrophobicContact CE2-CB 4.19Å; F12-F16 AromaticContact CE2-CD2 3.35Å; F12-F16 HydrophobicContact CE2-CD2 3.35Å; F12-F16 AromaticContact CE2-CE2 3.98Å; F12-F16 HydrophobicContact CE2-CE2 3.98Å; F12-F16 AromaticContact CE2-CG 3.94Å; F12-F16 HydrophobicContact CE2-CG 3.94Å; F12-F16 AromaticContact CG-CD2 3.78Å; F12-F16 HydrophobicContact CG-CD2 3.78Å; F12-F16 HydrophobicContact CG-CE2 4.33Å; F12-F16 HydrophobicContact CZ-CB 4.35Å; F12-F16 HydrophobicContact CZ-CD2 4.25Å; F12-F16 WeakPolarHBondContact O-CD2 3.44Å; F12-F16 PolarHBondContact O-N 3.05Å; F12-L17 HydrophobicContact CD1-CD1 4.36Å; F12-L17 HydrophobicContact CE1-CD1 3.62Å; F12-L17 HydrophobicContact CE1-CG 4.1Å; F12-L17 HydrophobicContact CZ-CD1 4.36Å; F12-F173 HydrophobicContact CD2-CE2 4.18Å; F12-F173 AromaticContact CE2-CE2 3.6Å; F12-F173 HydrophobicContact CE2-CE2 3.6Å; F12-F173 HydrophobicContact CE2-CZ 4Å; F12-F173 HydrophobicContact CZ-CE2 4.23Å; F12-F173 HydrophobicContact CZ-CZ 4.18Å; F12-F199 HydrophobicContact CB-CE2 3.73Å; F12-F199 HydrophobicContact CB-CZ 3.66Å; F12-F199 AromaticContact CD1-CE2 3.97Å; F12-F199 HydrophobicContact CD1-CE2 3.97Å; F12-F199 HydrophobicContact CD1-CZ 4.27Å; F12-F199 AromaticContact CD2-CE2 3.67Å; F12-F199 HydrophobicContact CD2-CE2 3.67Å; F12-F199 HydrophobicContact CD2-CZ 4.46Å; F12-F199 HydrophobicContact CE2-CE2 4.36Å; F12-F199 AromaticContact CG-CE2 3.49Å; F12-F199 HydrophobicContact CG-CE2 3.49Å; F12-F199 VanDerWaalsContact CG-CE2 3.49Å; F12-F199 AromaticContact CG-CZ 3.88Å; F12-F199 HydrophobicContact CG-CZ 3.88Å; F12-I203 HydrophobicContact CD1-CD1 4.44Å; F12-I203 HydrophobicContact CE1-CD1 4.38Å; F12-A213 HydrophobicContact CE1-CB 3.79Å; F12-A213 HydrophobicContact CZ-CB 3.94Å; F12-F216 HydrophobicContact CE2-CD1 4.15Å; F12-F216 HydrophobicContact CE2-CE1 4.34Å; F12-F216 HydrophobicContact CE2-CG 4.48Å; F12-F216 HydrophobicContact CZ-CD1 4.4Å; F12-F216 HydrophobicContact CZ-CG 4.44Å
13I85.8Confident81.5Confident48 Ų4870.7 Ų70.725%0.24636%0.361CS..Iπ-helixtrans-56.9-52.8178.1-67.6167.6000109.8R9 T15 L17 D18 L209R9-I13 HydrophobicContact CG-CD1 3.91Å; R9-I13 VanDerWaalsContact O-CG1 3.31Å; R9-I13 WeakPolarHBondContact O-CG1 3.37Å; R9-I13 PolarHBondContact O-N 3.19Å; I13-T15 VanDerWaalsContact C-N 3.28Å; I13-T15 PolarHBondContact O-N 3.48Å; I13-L17 CarbonylContact O-C 3.36Å; I13-L17 WeakPolarHBondContact O-CA 3.15Å; I13-L17 PolarHBondContact O-N 3Å; I13-D18 WeakPolarHBondContact O-CB 3.38Å; I13-D18 PolarHBondContact O-N 3.3Å; I13-L209 HydrophobicContact CD1-CD1 4.23Å; I13-L209 HydrophobicContact CD1-CD2 3.85Å; I13-L209 HydrophobicContact CG1-CD1 3.92Å; I13-L209 HydrophobicContact CG1-CD2 4.39Å
14K84.6Confident84.3Confident110 Ų11064.7 Ų64.748%0.47834%0.344SS..Iπ-helixtrans-58.2-38.6-179.8-175.2-179.5177.9-173.40113.1D6 Q10 Q11 F12 Q31D6-K14 IonicContact OD2-NZ 2.95Å; Q10-K14 WeakPolarHBondContact O-CB 3.44Å; Q10-K14 PolarHBondContact O-N 3.25Å; Q11-K14 PolarHBondContact O-N 3.25Å; F12-K14 PolarHBondContact O-N 2.95Å; K14-Q31 PolarHBondContact O-OE1 2.89Å
15T79.9Confident86.9Confident13 Ų1358.8 Ų58.88%0.0832%0.316CS..Iπ-helixtrans-80.2-43.6-175.7-57.60000112.3Q11 F12 I13 Q31 I33 Q46 Y168Q11-T15 WeakPolarHBondContact O-CB 3.36Å; Q11-T15 PolarHBondContact O-N 3.14Å; Q11-T15 PolarHBondContact O-OG1 2.92Å; F12-T15 PolarHBondContact O-N 3.07Å; I13-T15 VanDerWaalsContact C-N 3.28Å; I13-T15 PolarHBondContact O-N 3.48Å; T15-Q31 HydrophobicContact CG2-CG 4.18Å; T15-Q31 VanDerWaalsContact CG2-NE2 3.32Å; T15-Q31 PolarHBondContact OG1-NE2 3.28Å; T15-I33 HydrophobicContact CG2-CG2 3.92Å; T15-Q46 PolarHBondContact O-NE2 2.86Å; T15-Y168 HydrophobicContact CG2-CD1 4.45Å; T15-Y168 HydrophobicContact CG2-CE1 4.2Å
16F84.2Confident88.9Confident2 Ų258.2 Ų58.21%0.00930%0.297CS..Iπ-helixtrans-108-31.5-167-56.1-69.5000113.6F12 I33 Q46 Q50 Y168 F216F12-F16 HydrophobicContact CB-CD2 4.26Å; F12-F16 AromaticContact CD2-CD2 3.1Å; F12-F16 HydrophobicContact CD2-CD2 3.1Å; F12-F16 AromaticContact CD2-CE2 3.5Å; F12-F16 HydrophobicContact CD2-CE2 3.5Å; F12-F16 VanDerWaalsContact CD2-CE2 3.5Å; F12-F16 HydrophobicContact CD2-CG 4.13Å; F12-F16 HydrophobicContact CE2-CB 4.19Å; F12-F16 AromaticContact CE2-CD2 3.35Å; F12-F16 HydrophobicContact CE2-CD2 3.35Å; F12-F16 AromaticContact CE2-CE2 3.98Å; F12-F16 HydrophobicContact CE2-CE2 3.98Å; F12-F16 AromaticContact CE2-CG 3.94Å; F12-F16 HydrophobicContact CE2-CG 3.94Å; F12-F16 AromaticContact CG-CD2 3.78Å; F12-F16 HydrophobicContact CG-CD2 3.78Å; F12-F16 HydrophobicContact CG-CE2 4.33Å; F12-F16 HydrophobicContact CZ-CB 4.35Å; F12-F16 HydrophobicContact CZ-CD2 4.25Å; F12-F16 WeakPolarHBondContact O-CD2 3.44Å; F12-F16 PolarHBondContact O-N 3.05Å; F16-I33 HydrophobicContact CD1-CD1 4.2Å; F16-I33 HydrophobicContact CD1-CG1 4.11Å; F16-I33 HydrophobicContact CD1-CG2 4.48Å; F16-I33 HydrophobicContact CE1-CB 4.36Å; F16-I33 HydrophobicContact CE1-CD1 3.57Å; F16-I33 HydrophobicContact CE1-CG1 3.73Å; F16-I33 HydrophobicContact CE1-CG2 3.79Å; F16-Q46 HydrophobicContact CD1-CG 4.44Å; F16-Q50 WeakPolarHBondContact O-CG 3.14Å; F16-Q50 PolarHBondContact O-NE2 3.38Å; F16-Y168 HydrophobicContact CE1-CD1 4.33Å; F16-Y168 HydrophobicContact CE1-CG 4.21Å; F16-Y168 AromaticContact CZ-CD1 3.66Å; F16-Y168 HydrophobicContact CZ-CD1 3.66Å; F16-Y168 AromaticContact CZ-CG 3.85Å; F16-Y168 HydrophobicContact CZ-CG 3.85Å; F16-F216 HydrophobicContact CB-CD2 4.2Å; F16-F216 HydrophobicContact CB-CE2 4.25Å; F16-F216 HydrophobicContact CD1-CD2 4.09Å; F16-F216 AromaticContact CD1-CE2 3.3Å; F16-F216 HydrophobicContact CD1-CE2 3.3Å; F16-F216 AromaticContact CD1-CZ 3.74Å; F16-F216 HydrophobicContact CD1-CZ 3.74Å; F16-F216 AromaticContact CE1-CE2 3.82Å; F16-F216 HydrophobicContact CE1-CE2 3.82Å; F16-F216 AromaticContact CE1-CZ 3.81Å; F16-F216 HydrophobicContact CE1-CZ 3.81Å; F16-F216 HydrophobicContact CG-CD2 4.25Å; F16-F216 AromaticContact CG-CE2 3.84Å; F16-F216 HydrophobicContact CG-CE2 3.84Å; F16-F216 HydrophobicContact CG-CZ 4.24Å; F16-F216 HydrophobicContact CZ-CZ 4.38Å
17L88.1Confident90.4Very high7 Ų755.8 Ų55.84%0.03728%0.284CS..Iπ-helixtrans-120.1-16.1-166.4-60.2-175.3000113.9F12 I13 V53 L209 C212F12-L17 HydrophobicContact CD1-CD1 4.36Å; F12-L17 HydrophobicContact CE1-CD1 3.62Å; F12-L17 HydrophobicContact CE1-CG 4.1Å; F12-L17 HydrophobicContact CZ-CD1 4.36Å; I13-L17 CarbonylContact O-C 3.36Å; I13-L17 WeakPolarHBondContact O-CA 3.15Å; I13-L17 PolarHBondContact O-N 3Å; L17-V53 HydrophobicContact CB-CG2 4.1Å; L17-V53 HydrophobicContact CD2-CG2 4.23Å; L17-L209 HydrophobicContact CD1-CD1 3.54Å; L17-C212 HydrophobicContact CD1-CB 3.81Å; L17-C212 HydrophobicContact CD2-CB 3.95Å
18D90.6Very high91.1Very high91 Ų9156.1 Ų56.149%0.48728%0.278SS..  trans-71.2134.8-176.8-171.238.9000111.7I13I13-D18 WeakPolarHBondContact O-CB 3.38Å; I13-D18 PolarHBondContact O-N 3.3Å
19L96.5Very high91.8Very high5 Ų554.9 Ų54.93%0.02627%0.272CS..  trans-139.7123.5-176.5-71.5-176.2000109.8Q21 F27 Q50 V53 A54 K57 Y84L19-Q21 PolarHBondContact O-N 2.83Å; L19-F27 HydrophobicContact CB-CB 4.28Å; L19-F27 HydrophobicContact CD1-CB 4.06Å; L19-Q50 HydrophobicContact CD1-CB 4.28Å; L19-Q50 VanDerWaalsContact CD1-O 3.26Å; L19-Q50 WeakPolarHBondContact CD1-O 3.48Å; L19-Q50 HydrophobicContact CD2-CB 4.1Å; L19-Q50 HydrophobicContact CD2-CG 4.06Å; L19-Q50 HydrophobicContact CG-CB 4.46Å; L19-Q50 HydrophobicContact CG-CG 4.46Å; L19-V53 HydrophobicContact CD1-CB 4.05Å; L19-V53 HydrophobicContact CD1-CG1 3.98Å; L19-V53 HydrophobicContact CG-CG1 4.37Å; L19-A54 HydrophobicContact CD1-CB 3.84Å; L19-K57 PolarHBondContact O-NZ 3.47Å; L19-Y84 HydrophobicContact CD1-CD2 4.4Å; L19-Y84 HydrophobicContact CD2-CD2 4.01Å; L19-Y84 HydrophobicContact CD2-CE2 4.02Å
20E97Very high92.1Very high79 Ų7957.4 Ų57.437%0.36928%0.282SS..EExtended strand (participates in β ladder)trans-66.2123.6166.8178.2-170.817200108.2V22 F27 R28 R30E20-V22 HydrophobicContact CG-CG2 4.39Å; E20-V22 PolarHBondContact O-N 3.12Å; E20-F27 CarbonylContact O-C 3.43Å; E20-F27 VanDerWaalsContact O-CA 3.23Å; E20-F27 WeakPolarHBondContact O-CA 3.36Å; E20-R28 HydrophobicContact CB-CB 4.32Å; E20-R28 PolarHBondContact N-O 2.74Å; E20-R28 PolarHBondContact O-N 2.86Å; E20-R28 IonicContact OE1-NH1 3.61Å; E20-R28 PolarHBondContact OE1-NH1 2.72Å; E20-R28 IonicContact OE2-NH1 2.84Å; E20-R28 PolarHBondContact OE2-NH1 3.26Å; E20-R30 IonicContact OE1-NH2 3.26Å; E20-R30 IonicContact OE2-CZ 3.2Å; E20-R30 IonicContact OE2-NE 3.35Å; E20-R30 PolarHBondContact OE2-NE 2.89Å; E20-R30 IonicContact OE2-NH2 2.74Å; E20-R30 PolarHBondContact OE2-NH2 2.98Å
21Q98Very high92.3Very high109 Ų10956.3 Ų56.351%0.50928%0.276SS..EExtended strand (participates in β ladder)trans-82.2112.6170.1-175.6170.1-0.900108.8L19 D23 F27L19-Q21 PolarHBondContact O-N 2.83Å; Q21-D23 WeakPolarHBondContact CG-O 3.36Å; Q21-D23 PolarHBondContact NE2-O 2.77Å; Q21-D23 VanDerWaalsContact NE2-O 3.17Å; Q21-F27 HydrophobicContact CB-CD1 3.88Å; Q21-F27 HydrophobicContact CB-CE1 3.9Å; Q21-F27 HydrophobicContact CG-CD1 3.94Å; Q21-F27 HydrophobicContact CG-CE1 3.6Å; Q21-F27 HydrophobicContact CG-CZ 4.37Å
22V98.2Very high92.4Very high60 Ų6052.8 Ų52.836%0.36426%0.26SS..EExtended strand (participates in β ladder)trans-87.4-36.7-179.2-1780000110.7E20 L26 R28E20-V22 HydrophobicContact CG-CG2 4.39Å; E20-V22 PolarHBondContact O-N 3.12Å; V22-L26 HydrophobicContact CB-CB 4.38Å; V22-L26 HydrophobicContact CB-CD2 4.17Å; V22-L26 HydrophobicContact CB-CG 4.3Å; V22-L26 HydrophobicContact CG1-CD2 3.97Å; V22-L26 PolarHBondContact N-O 3.12Å; V22-R28 HydrophobicContact CG2-CB 3.76Å
23D98.1Very high92.3Very high109 Ų10952.9 Ų52.958%0.58326%0.261SS*.EExtended strand (participates in β ladder)trans-152178.3175.9-153.2-30.4000109.7Q21 N25 L26Q21-D23 WeakPolarHBondContact CG-O 3.36Å; Q21-D23 PolarHBondContact NE2-O 2.77Å; Q21-D23 VanDerWaalsContact NE2-O 3.17Å; D23-N25 PolarHBondContact O-N 3.2Å; D23-L26 HydrophobicContact CB-CB 3.81Å; D23-L26 PolarHBondContact N-O 2.78Å; D23-L26 PolarHBondContact O-N 2.95Å
24A97.7Very high92.2Very high50 Ų5050.6 Ų50.641%0.41325%0.249SC..THydrogen-bonded Turntrans-50.3-32.8-177.500000114.1
25N98.5Very high91.7Very high57 Ų5747 Ų4731%0.30524%0.239SC..THydrogen-bonded Turntrans-131.918.6-178-64.2-38.3000112.5D23 V86 R88D23-N25 PolarHBondContact O-N 3.2Å; N25-V86 WeakPolarHBondContact CB-O 3.46Å; N25-V86 PolarHBondContact O-N 2.79Å; N25-R88 PolarHBondContact OD1-NE 2.88Å; N25-R88 PolarHBondContact OD1-NH2 2.94Å; N25-R88 VanDerWaalsContact OD1-NH2 3.12Å
26L98.6Very high91.3Very high54 Ų5448.8 Ų48.828%0.28325%0.251SS..EExtended strand (participates in β ladder)trans-128.9123.4-175.9-163.770.6000109.9V22 D23 V83 Y84V22-L26 HydrophobicContact CB-CB 4.38Å; V22-L26 HydrophobicContact CB-CD2 4.17Å; V22-L26 HydrophobicContact CB-CG 4.3Å; V22-L26 HydrophobicContact CG1-CD2 3.97Å; V22-L26 PolarHBondContact N-O 3.12Å; D23-L26 HydrophobicContact CB-CB 3.81Å; D23-L26 PolarHBondContact N-O 2.78Å; D23-L26 PolarHBondContact O-N 2.95Å; L26-V83 HydrophobicContact CD1-CG1 3.45Å; L26-V83 VanDerWaalsContact CD1-CG1 3.45Å; L26-V83 HydrophobicContact CD2-CG1 4.41Å; L26-V83 HydrophobicContact CG-CG1 3.9Å; L26-Y84 WeakPolarHBondContact CA-O 3.4Å
27F98.7Very high90.4Very high0 Ų049.9 Ų49.90%026%0.258CS..EExtended strand (participates in β ladder)trans-128.6156.1-176.3-53.9-91.1000110.6L19 E20 Q21 A54 K57 T58 V83 Y84 V86L19-F27 HydrophobicContact CB-CB 4.28Å; L19-F27 HydrophobicContact CD1-CB 4.06Å; E20-F27 CarbonylContact O-C 3.43Å; E20-F27 VanDerWaalsContact O-CA 3.23Å; E20-F27 WeakPolarHBondContact O-CA 3.36Å; Q21-F27 HydrophobicContact CB-CD1 3.88Å; Q21-F27 HydrophobicContact CB-CE1 3.9Å; Q21-F27 HydrophobicContact CG-CD1 3.94Å; Q21-F27 HydrophobicContact CG-CE1 3.6Å; Q21-F27 HydrophobicContact CG-CZ 4.37Å; F27-A54 HydrophobicContact CB-CB 4.19Å; F27-A54 HydrophobicContact CD2-CB 3.6Å; F27-A54 HydrophobicContact CE2-CB 4.21Å; F27-A54 WeakPolarHBondContact CE2-O 3.14Å; F27-A54 HydrophobicContact CG-CB 3.98Å; F27-K57 HydrophobicContact CD1-CD 3.88Å; F27-K57 HydrophobicContact CE1-CB 3.77Å; F27-K57 HydrophobicContact CE1-CD 3.45Å; F27-K57 VanDerWaalsContact CE1-CD 3.45Å; F27-K57 HydrophobicContact CE1-CG 4.24Å; F27-K57 HydrophobicContact CZ-CB 3.69Å; F27-K57 HydrophobicContact CZ-CD 4.26Å; F27-T58 HydrophobicContact CE2-CG2 3.92Å; F27-T58 HydrophobicContact CZ-CG2 4Å; F27-V83 CarbonylContact O-C 3.59Å; F27-V83 WeakPolarHBondContact O-CA 3.15Å; F27-Y84 PolarHBondContact N-O 3.4Å; F27-Y84 PolarHBondContact O-N 2.72Å; F27-V86 HydrophobicContact CD2-CG2 4.04Å; F27-V86 HydrophobicContact CE2-CG2 3.93Å
28R98Very high89.4Confident70 Ų7055 Ų5526%0.26429%0.285SS..EExtended strand (participates in β ladder)trans-135.2123.2-177.7-175.9-173.5-67.5145.4-5.7111.2E20 V22 R30 P81 I82 V83E20-R28 HydrophobicContact CB-CB 4.32Å; E20-R28 PolarHBondContact N-O 2.74Å; E20-R28 PolarHBondContact O-N 2.86Å; E20-R28 IonicContact OE1-NH1 3.61Å; E20-R28 PolarHBondContact OE1-NH1 2.72Å; E20-R28 IonicContact OE2-NH1 2.84Å; E20-R28 PolarHBondContact OE2-NH1 3.26Å; V22-R28 HydrophobicContact CG2-CB 3.76Å; R28-R30 HydrophobicContact CG-CG 4.36Å; R28-P81 HydrophobicContact CG-CB 3.85Å; R28-I82 CarbonylContact C-O 3.59Å; R28-I82 WeakPolarHBondContact CA-O 3.47Å; R28-V83 HydrophobicContact CG-CG2 4.47Å
29G95.3Very high88.7Confident0 Ų053.1 Ų53.10%028%0.275CS..EExtended strand (participates in β ladder)trans-98.1128.517100000110.3P81 I82G29-P81 CarbonylContact O-C 3.55Å; G29-P81 WeakPolarHBondContact O-CA 3.5Å; G29-P81 WeakPolarHBondContact O-CB 3.35Å; G29-I82 PolarHBondContact N-O 3.48Å; G29-I82 PolarHBondContact O-N 2.83Å
30R91.9Very high87.9Confident152 Ų15256 Ų5657%0.57429%0.294SS*.  trans-111.9-39-175.5-66.6178.8178.5-111.66.7113.4E20 R28 L32 P81E20-R30 IonicContact OE1-NH2 3.26Å; E20-R30 IonicContact OE2-CZ 3.2Å; E20-R30 IonicContact OE2-NE 3.35Å; E20-R30 PolarHBondContact OE2-NE 2.89Å; E20-R30 IonicContact OE2-NH2 2.74Å; E20-R30 PolarHBondContact OE2-NH2 2.98Å; R28-R30 HydrophobicContact CG-CG 4.36Å; R30-L32 PolarHBondContact O-N 2.92Å; R30-P81 HydrophobicContact CG-CB 4.27Å; R30-P81 HydrophobicContact CG-CG 4.29Å
31Q87Confident87.4Confident76 Ų7656.9 Ų56.936%0.35529%0.294SS..  trans-86.9112.6178.6-167.6171.9-16.300108.2K14 T15 Q46K14-Q31 PolarHBondContact O-OE1 2.89Å; T15-Q31 HydrophobicContact CG2-CG 4.18Å; T15-Q31 VanDerWaalsContact CG2-NE2 3.32Å; T15-Q31 PolarHBondContact OG1-NE2 3.28Å; Q31-Q46 PolarHBondContact O-NE2 2.96Å
32L88Confident87Confident17 Ų1752.4 Ų52.49%0.08927%0.274CS..  trans-128.6136.4-173.1-59.7171.5000110R30 V42 R78 V80 I82R30-L32 PolarHBondContact O-N 2.92Å; L32-V42 HydrophobicContact CB-CG1 4.28Å; L32-V42 HydrophobicContact CB-CG2 3.87Å; L32-V42 HydrophobicContact CD1-CG2 4.08Å; L32-V42 HydrophobicContact CD2-CG1 4.25Å; L32-V42 HydrophobicContact CG-CG2 4.4Å; L32-R78 HydrophobicContact CB-CB 4.11Å; L32-V80 WeakPolarHBondContact CD1-O 3.39Å; L32-I82 HydrophobicContact CD1-CD1 3.97Å; L32-I82 HydrophobicContact CD1-CG1 3.8Å; L32-I82 HydrophobicContact CD2-CD1 3.72Å; L32-I82 HydrophobicContact CD2-CG1 4.21Å
33I84.8Confident86.7Confident2 Ų249.9 Ų49.91%0.0126%0.258CS..  trans-109.6139.3-176.462.9136.3000110.9T15 F16 V42 Y43 Q46 L165 Y168 F216T15-I33 HydrophobicContact CG2-CG2 3.92Å; F16-I33 HydrophobicContact CD1-CD1 4.2Å; F16-I33 HydrophobicContact CD1-CG1 4.11Å; F16-I33 HydrophobicContact CD1-CG2 4.48Å; F16-I33 HydrophobicContact CE1-CB 4.36Å; F16-I33 HydrophobicContact CE1-CD1 3.57Å; F16-I33 HydrophobicContact CE1-CG1 3.73Å; F16-I33 HydrophobicContact CE1-CG2 3.79Å; I33-V42 CarbonylContact O-C 3.52Å; I33-V42 VanDerWaalsContact O-CA 3.25Å; I33-V42 WeakPolarHBondContact O-CA 3.47Å; I33-Y43 HydrophobicContact CD1-CD1 4.11Å; I33-Y43 HydrophobicContact CD1-CG 4.41Å; I33-Y43 PolarHBondContact O-N 2.89Å; I33-Q46 HydrophobicContact CG1-CB 4.45Å; I33-L165 HydrophobicContact CD1-CD1 3.97Å; I33-Y168 HydrophobicContact CB-CD2 3.77Å; I33-Y168 HydrophobicContact CB-CE2 3.76Å; I33-Y168 HydrophobicContact CD1-CD2 4.13Å; I33-Y168 HydrophobicContact CD1-CG 4.44Å; I33-Y168 HydrophobicContact CG2-CD1 4.31Å; I33-Y168 HydrophobicContact CG2-CD2 3.55Å; I33-Y168 HydrophobicContact CG2-CE1 4.12Å; I33-Y168 HydrophobicContact CG2-CE2 3.28Å; I33-Y168 HydrophobicContact CG2-CG 4.05Å; I33-F216 HydrophobicContact CD1-CE2 4.3Å; I33-F216 HydrophobicContact CD1-CZ 4.3Å
34A82.3Confident86.5Confident0 Ų045.2 Ų45.20%024%0.236CC..BIsolated β-bridgetrans-76.7144173.500000110.9N39 R41 C164 L165A34-N39 WeakPolarHBondContact CB-O 3.26Å; A34-R41 VanDerWaalsContact CA-O 3.31Å; A34-R41 WeakPolarHBondContact CA-O 3.31Å; A34-C164 CarbonylContact O-C 3.54Å; A34-C164 VanDerWaalsContact O-CA 3.27Å; A34-C164 WeakPolarHBondContact O-CA 3.43Å; A34-L165 PolarHBondContact O-N 2.9Å
35A75.2Confident86.3Confident33 Ų3342.8 Ų42.827%0.27322%0.216SC..SBendtrans-69.7-44.3171.500000111.9R41 Y43 L165A35-R41 PolarHBondContact N-O 3.42Å; A35-Y43 HydrophobicContact CB-CD2 4.17Å; A35-L165 WeakPolarHBondContact O-CB 3.48Å; A35-L165 PolarHBondContact O-N 2.88Å
36V71.5Confident86Confident52 Ų5240.1 Ų40.132%0.31520%0.202SC..SBendtrans-121.6145.1-173.3-176.60000109.4N39V36-N39 HydrophobicContact CB-CB 4.12Å; V36-N39 WeakPolarHBondContact O-CB 3.46Å; V36-N39 PolarHBondContact O-N 2.74Å
37P64.7Low85.9Confident24 Ų2437.8 Ų37.816%0.15619%0.19CC..THydrogen-bonded Turntrans-51.3146.2171.4-34.942.7000114.7N39 C159 D161 S162 C164P37-N39 PolarHBondContact O-N 3.26Å; P37-C159 HydrophobicContact CB-CB 3.84Å; P37-C159 HydrophobicContact CG-CB 3.82Å; P37-D161 WeakPolarHBondContact CB-O 3.37Å; P37-S162 WeakPolarHBondContact CA-OG 3.18Å; P37-S162 WeakPolarHBondContact CB-OG 3.12Å; P37-C164 VanDerWaalsContact CD-CB 3.48Å; P37-C164 HydrophobicContact CG-CB 3.76Å; P37-C164 VanDerWaalsContact CG-SG 3.56Å
38D66.7Low85.8Confident115 Ų11537.9 Ų37.962%0.61519%0.19SC*.THydrogen-bonded Turntrans53.58.8179.3-53.8-44.2000115.6S162D38-S162 PolarHBondContact N-OG 3.14Å
39N75.2Confident85.7Confident51 Ų5134.6 Ų34.627%0.27318%0.178SC..  trans-103.1120.4174.9-165.8-28.2000108.1A34 V36 P37 R41A34-N39 WeakPolarHBondContact CB-O 3.26Å; V36-N39 HydrophobicContact CB-CB 4.12Å; V36-N39 WeakPolarHBondContact O-CB 3.46Å; V36-N39 PolarHBondContact O-N 2.74Å; P37-N39 PolarHBondContact O-N 3.26Å; N39-R41 PolarHBondContact O-N 2.82Å; N39-R41 VanDerWaalsContact O-N 3.1Å; N39-R41 WeakPolarHBondContact OD1-CB 3.24Å; N39-R41 WeakPolarHBondContact OD1-CD 3.18Å; N39-R41 WeakPolarHBondContact OD1-CG 3.35Å; N39-R41 PolarHBondContact OD1-N 3.15Å
40P79.5Confident85.7Confident66 Ų6634.7 Ų34.743%0.42918%0.178SC..  trans-67.4-10.7179.128.5-35.4000112.6V42 R78P40-V42 PolarHBondContact O-N 2.99Å; P40-R78 WeakPolarHBondContact O-CB 3.38Å; P40-R78 PolarHBondContact O-N 2.99Å
41R86.5Confident86Confident98 Ų9827.5 Ų27.537%0.3715%0.152SC..BIsolated β-bridgetrans-65.8121.3-174.5-70.4177-173.7-1790.3112.7A34 A35 N39 A76A34-R41 VanDerWaalsContact CA-O 3.31Å; A34-R41 WeakPolarHBondContact CA-O 3.31Å; A35-R41 PolarHBondContact N-O 3.42Å; N39-R41 PolarHBondContact O-N 2.82Å; N39-R41 VanDerWaalsContact O-N 3.1Å; N39-R41 WeakPolarHBondContact OD1-CB 3.24Å; N39-R41 WeakPolarHBondContact OD1-CD 3.18Å; N39-R41 WeakPolarHBondContact OD1-CG 3.35Å; N39-R41 PolarHBondContact OD1-N 3.15Å; R41-A76 CarbonylContact C-O 3.55Å; R41-A76 WeakPolarHBondContact CA-O 3.45Å
42V91.2Very high86.5Confident15 Ų1523.9 Ų23.99%0.09114%0.135CC..BIsolated β-bridgetrans-61.1144174.5-175.40000110.7L32 I33 P40 Q46 V47 A76 R78 I82L32-V42 HydrophobicContact CB-CG1 4.28Å; L32-V42 HydrophobicContact CB-CG2 3.87Å; L32-V42 HydrophobicContact CD1-CG2 4.08Å; L32-V42 HydrophobicContact CD2-CG1 4.25Å; L32-V42 HydrophobicContact CG-CG2 4.4Å; I33-V42 CarbonylContact O-C 3.52Å; I33-V42 VanDerWaalsContact O-CA 3.25Å; I33-V42 WeakPolarHBondContact O-CA 3.47Å; P40-V42 PolarHBondContact O-N 2.99Å; V42-Q46 HydrophobicContact CG1-CB 4.42Å; V42-V47 HydrophobicContact CB-CG2 4.42Å; V42-V47 HydrophobicContact CG1-CG2 3.94Å; V42-A76 HydrophobicContact CB-CB 3.94Å; V42-A76 HydrophobicContact CG2-CB 3.76Å; V42-A76 PolarHBondContact N-O 2.91Å; V42-R78 HydrophobicContact CG2-CB 4.06Å; V42-I82 HydrophobicContact CG1-CD1 4.47Å; V42-I82 HydrophobicContact CG2-CD1 4.44Å
43Y91.7Very high87Confident6 Ų624.1 Ų24.12%0.02414%0.137CC..PPolyproline II helixtrans-63.8129.9173174.1-129.5000112.6I33 A35 G45 Q46 V47 L165 F216 D219 C220I33-Y43 HydrophobicContact CD1-CD1 4.11Å; I33-Y43 HydrophobicContact CD1-CG 4.41Å; I33-Y43 PolarHBondContact O-N 2.89Å; A35-Y43 HydrophobicContact CB-CD2 4.17Å; Y43-G45 VanDerWaalsContact CE1-CA 3.5Å; Y43-G45 PolarHBondContact O-N 3.31Å; Y43-Q46 HydrophobicContact CD1-CB 4.22Å; Y43-Q46 WeakPolarHBondContact O-CB 3.37Å; Y43-Q46 PolarHBondContact O-N 2.84Å; Y43-Q46 VanDerWaalsContact O-N 3.09Å; Y43-V47 PolarHBondContact O-N 2.95Å; Y43-L165 HydrophobicContact CD1-CD1 3.62Å; Y43-L165 HydrophobicContact CD1-CD2 4.31Å; Y43-L165 HydrophobicContact CD2-CD1 4.45Å; Y43-L165 HydrophobicContact CD2-CD2 3.65Å; Y43-L165 HydrophobicContact CE1-CD1 3.61Å; Y43-L165 HydrophobicContact CE1-CD2 4.1Å; Y43-L165 HydrophobicContact CE1-CG 4.5Å; Y43-L165 HydrophobicContact CE2-CD1 4.47Å; Y43-L165 HydrophobicContact CE2-CD2 3.44Å; Y43-L165 VanDerWaalsContact CE2-CD2 3.44Å; Y43-L165 HydrophobicContact CG-CD1 4.04Å; Y43-L165 HydrophobicContact CG-CD2 4.08Å; Y43-L165 HydrophobicContact CG-CG 4.49Å; Y43-F216 HydrophobicContact CD1-CD2 4.2Å; Y43-F216 AromaticContact CD1-CE2 3.58Å; Y43-F216 HydrophobicContact CD1-CE2 3.58Å; Y43-F216 AromaticContact CD1-CZ 3.95Å; Y43-F216 HydrophobicContact CD1-CZ 3.95Å; Y43-F216 AromaticContact CE1-CD2 3.98Å; Y43-F216 HydrophobicContact CE1-CD2 3.98Å; Y43-F216 HydrophobicContact CE1-CE1 4.24Å; Y43-F216 AromaticContact CE1-CE2 3.63Å; Y43-F216 HydrophobicContact CE1-CE2 3.63Å; Y43-F216 HydrophobicContact CE1-CG 4.42Å; Y43-F216 AromaticContact CE1-CZ 3.78Å; Y43-F216 HydrophobicContact CE1-CZ 3.78Å; Y43-F216 WeakPolarHBondContact CE1-O 3.48Å; Y43-F216 PolarHBondContact OH-O 2.97Å; Y43-D219 HydrophobicContact CE2-CB 4.01Å; Y43-D219 VanDerWaalsContact CE2-OD2 3.26Å; Y43-D219 WeakPolarHBondContact CE2-OD2 3.45Å; Y43-D219 WeakPolarHBondContact OH-CB 3.48Å; Y43-D219 PolarHBondContact OH-O 3.1Å; Y43-C220 PolarHBondContact OH-N 2.65Å; Y43-C220 VanDerWaalsContact OH-N 3.09Å; Y43-C220 PolarHBondContact OH-SG 3.29Å
44G93.1Very high87.6Confident11 Ų1124 Ų2411%0.11314%0.136CC..Hα-helixtrans-59.3-43.8-177.200000113Q46 V47 I48 D219G44-Q46 PolarHBondContact O-N 3.36Å; G44-V47 WeakPolarHBondContact O-CA 3.37Å; G44-V47 WeakPolarHBondContact O-CB 3.3Å; G44-V47 PolarHBondContact O-N 2.77Å; G44-I48 WeakPolarHBondContact O-CG1 3.44Å; G44-I48 PolarHBondContact O-N 2.77Å; G44-D219 VanDerWaalsContact C-OD2 3.3Å; G44-D219 WeakPolarHBondContact CA-OD2 3.46Å; G44-D219 PolarHBondContact N-OD2 3.21Å
45G93.4Very high88.4Confident0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-57.5-33.6175.100000113.6Y43 G49 D219Y43-G45 VanDerWaalsContact CE1-CA 3.5Å; Y43-G45 PolarHBondContact O-N 3.31Å; G45-G49 PolarHBondContact O-N 2.67Å; G45-D219 PolarHBondContact N-OD2 2.82Å
46Q93.7Very high89.5Confident0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-67.4-43.8172.2-171.3-17813.300111.6T15 F16 Q31 I33 V42 Y43 G44 I48 G49 Q50 F216T15-Q46 PolarHBondContact O-NE2 2.86Å; F16-Q46 HydrophobicContact CD1-CG 4.44Å; Q31-Q46 PolarHBondContact O-NE2 2.96Å; I33-Q46 HydrophobicContact CG1-CB 4.45Å; V42-Q46 HydrophobicContact CG1-CB 4.42Å; Y43-Q46 HydrophobicContact CD1-CB 4.22Å; Y43-Q46 WeakPolarHBondContact O-CB 3.37Å; Y43-Q46 PolarHBondContact O-N 2.84Å; Y43-Q46 VanDerWaalsContact O-N 3.09Å; G44-Q46 PolarHBondContact O-N 3.36Å; Q46-I48 VanDerWaalsContact C-N 3.29Å; Q46-I48 PolarHBondContact O-N 3.5Å; Q46-G49 PolarHBondContact O-N 2.85Å; Q46-Q50 HydrophobicContact CG-CG 4.47Å; Q46-Q50 WeakPolarHBondContact O-CB 3.19Å; Q46-Q50 WeakPolarHBondContact O-CG 3.29Å; Q46-Q50 PolarHBondContact O-N 2.88Å; Q46-F216 HydrophobicContact CB-CD2 4.29Å; Q46-F216 HydrophobicContact CB-CE2 4.17Å
47V95.9Very high90.7Very high6 Ų625 Ų254%0.03613%0.13CC..Hα-helixtrans-61.1-41.8178.5179.90000110.7V42 Y43 G44 A51 F72 I82 Y84 A102 C110V42-V47 HydrophobicContact CB-CG2 4.42Å; V42-V47 HydrophobicContact CG1-CG2 3.94Å; Y43-V47 PolarHBondContact O-N 2.95Å; G44-V47 WeakPolarHBondContact O-CA 3.37Å; G44-V47 WeakPolarHBondContact O-CB 3.3Å; G44-V47 PolarHBondContact O-N 2.77Å; V47-A51 VanDerWaalsContact O-CB 3.31Å; V47-A51 WeakPolarHBondContact O-CB 3.38Å; V47-A51 PolarHBondContact O-N 2.88Å; V47-F72 HydrophobicContact CB-CE1 4.44Å; V47-I82 HydrophobicContact CG2-CD1 4.07Å; V47-Y84 HydrophobicContact CG1-CE1 4.36Å; V47-Y84 PolarHBondContact O-OH 2.94Å; V47-A102 HydrophobicContact CG1-CB 4.27Å; V47-C110 HydrophobicContact CG1-CB 3.9Å
48I96.3Very high92.3Very high2 Ų224.3 Ų24.31%0.0113%0.125CC..Hα-helixtrans-64.4-50.5176.2-64.1165.2000110.6G44 Q46 Q50 A51 M52 L68 F72 A215 D219 H245 I247G44-I48 WeakPolarHBondContact O-CG1 3.44Å; G44-I48 PolarHBondContact O-N 2.77Å; Q46-I48 VanDerWaalsContact C-N 3.29Å; Q46-I48 PolarHBondContact O-N 3.5Å; I48-Q50 VanDerWaalsContact C-N 3.33Å; I48-Q50 PolarHBondContact O-N 2.86Å; I48-A51 PolarHBondContact O-N 3.42Å; I48-M52 WeakPolarHBondContact O-CB 3.38Å; I48-M52 PolarHBondContact O-N 2.92Å; I48-L68 HydrophobicContact CG2-CD1 4.02Å; I48-L68 HydrophobicContact CG2-CD2 3.79Å; I48-F72 HydrophobicContact CD1-CZ 3.78Å; I48-F72 HydrophobicContact CG1-CE1 4.38Å; I48-F72 HydrophobicContact CG1-CZ 4.04Å; I48-A215 HydrophobicContact CG2-CB 4.1Å; I48-D219 HydrophobicContact CD1-CB 4.38Å; I48-H245 HydrophobicContact CD1-CB 3.66Å; I48-H245 VanDerWaalsContact CD1-CD2 3.49Å; I48-H245 WeakPolarHBondContact CD1-CD2 3.28Å; I48-I247 HydrophobicContact CG2-CD1 4.29Å
49G94.9Very high93.8Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-56.5-46.117900000112G45 Q46 M52 V53G45-G49 PolarHBondContact O-N 2.67Å; Q46-G49 PolarHBondContact O-N 2.85Å; G49-M52 WeakPolarHBondContact O-CB 3.28Å; G49-M52 PolarHBondContact O-N 2.77Å; G49-V53 WeakPolarHBondContact O-CG2 3.4Å; G49-V53 PolarHBondContact O-N 3.5Å
50Q96.7Very high94.8Very high2 Ų219.9 Ų19.91%0.00911%0.107CC..Hα-helixtrans-67.4-41.7176.4-72.4-174.6-0.700112.7F16 L19 Q46 I48 M52 V53 A54 Y84F16-Q50 WeakPolarHBondContact O-CG 3.14Å; F16-Q50 PolarHBondContact O-NE2 3.38Å; L19-Q50 HydrophobicContact CD1-CB 4.28Å; L19-Q50 VanDerWaalsContact CD1-O 3.26Å; L19-Q50 WeakPolarHBondContact CD1-O 3.48Å; L19-Q50 HydrophobicContact CD2-CB 4.1Å; L19-Q50 HydrophobicContact CD2-CG 4.06Å; L19-Q50 HydrophobicContact CG-CB 4.46Å; L19-Q50 HydrophobicContact CG-CG 4.46Å; Q46-Q50 HydrophobicContact CG-CG 4.47Å; Q46-Q50 WeakPolarHBondContact O-CB 3.19Å; Q46-Q50 WeakPolarHBondContact O-CG 3.29Å; Q46-Q50 PolarHBondContact O-N 2.88Å; I48-Q50 VanDerWaalsContact C-N 3.33Å; I48-Q50 PolarHBondContact O-N 2.86Å; Q50-M52 PolarHBondContact O-N 3.08Å; Q50-V53 PolarHBondContact O-N 2.87Å; Q50-A54 WeakPolarHBondContact O-CB 3.25Å; Q50-A54 PolarHBondContact O-N 2.99Å; Q50-Y84 HydrophobicContact CB-CE1 4.09Å; Q50-Y84 HydrophobicContact CB-CE2 3.67Å; Q50-Y84 VanDerWaalsContact CB-CZ 3.43Å; Q50-Y84 WeakPolarHBondContact CB-OH 3.4Å; Q50-Y84 PolarHBondContact OE1-OH 2.8Å; Q50-Y84 VanDerWaalsContact OE1-OH 3.13Å
51A97.9Very high95.5Very high2 Ų222.7 Ų22.72%0.01712%0.118CC..Hα-helixtrans-58.4-39.3174.200000111.5V47 I48 A54 A55 Y84 I100V47-A51 VanDerWaalsContact O-CB 3.31Å; V47-A51 WeakPolarHBondContact O-CB 3.38Å; V47-A51 PolarHBondContact O-N 2.88Å; I48-A51 PolarHBondContact O-N 3.42Å; A51-A54 PolarHBondContact O-N 3.22Å; A51-A55 WeakPolarHBondContact O-CB 3.33Å; A51-A55 PolarHBondContact O-N 2.92Å; A51-Y84 HydrophobicContact CB-CD1 4.01Å; A51-Y84 HydrophobicContact CB-CE1 3.89Å; A51-I100 HydrophobicContact CB-CG2 4.11Å
52M97.9Very high95.9Very high0 Ų022.7 Ų22.70%013%0.126CC..Hα-helixtrans-64.7-45.7175.2-166.8-171.9-121.500112.1I48 G49 Q50 A54 A55 M56 P65 L68 M114 L211 C212 A215 F249I48-M52 WeakPolarHBondContact O-CB 3.38Å; I48-M52 PolarHBondContact O-N 2.92Å; G49-M52 WeakPolarHBondContact O-CB 3.28Å; G49-M52 PolarHBondContact O-N 2.77Å; Q50-M52 PolarHBondContact O-N 3.08Å; M52-A54 PolarHBondContact O-N 3.14Å; M52-A55 PolarHBondContact O-N 3.34Å; M52-M56 HydrophobicContact CE-CE 4.27Å; M52-M56 HydrophobicContact CG-CE 3.71Å; M52-M56 HydrophobicContact CG-CG 4.46Å; M52-M56 HydrophobicContact CG-SD 4.29Å; M52-M56 WeakPolarHBondContact O-CB 3.46Å; M52-M56 VanDerWaalsContact O-CG 3.3Å; M52-M56 WeakPolarHBondContact O-CG 3.46Å; M52-M56 PolarHBondContact O-N 3.19Å; M52-M56 HydrophobicContact SD-CE 3.61Å; M52-P65 HydrophobicContact CE-CB 3.59Å; M52-P65 HydrophobicContact CE-CG 3.28Å; M52-P65 HydrophobicContact SD-CG 4.22Å; M52-L68 HydrophobicContact CE-CD2 4.11Å; M52-M114 HydrophobicContact CB-CE 3.78Å; M52-M114 HydrophobicContact CB-SD 4.33Å; M52-M114 HydrophobicContact CG-CE 3.86Å; M52-M114 HydrophobicContact CG-SD 3.84Å; M52-L211 HydrophobicContact CE-CB 4.38Å; M52-L211 HydrophobicContact SD-CB 4.29Å; M52-C212 HydrophobicContact SD-CB 4.34Å; M52-A215 HydrophobicContact CE-CB 4.35Å; M52-A215 HydrophobicContact SD-CB 4.03Å; M52-F249 HydrophobicContact CE-CD2 4.19Å; M52-F249 HydrophobicContact CE-CE2 3.26Å; M52-F249 HydrophobicContact CE-CZ 3.6Å
53V97.7Very high96.2Very high21 Ų2122.5 Ų22.513%0.12712%0.124CC..Hα-helixtrans-58.9-47.4175173.30000111L17 L19 G49 Q50 A55 M56 K57 C212L17-V53 HydrophobicContact CB-CG2 4.1Å; L17-V53 HydrophobicContact CD2-CG2 4.23Å; L19-V53 HydrophobicContact CD1-CB 4.05Å; L19-V53 HydrophobicContact CD1-CG1 3.98Å; L19-V53 HydrophobicContact CG-CG1 4.37Å; G49-V53 WeakPolarHBondContact O-CG2 3.4Å; G49-V53 PolarHBondContact O-N 3.5Å; Q50-V53 PolarHBondContact O-N 2.87Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 2.9Å; V53-M56 PolarHBondContact O-N 2.8Å; V53-K57 HydrophobicContact CG1-CD 4.37Å; V53-K57 WeakPolarHBondContact O-CG 3.23Å; V53-K57 PolarHBondContact O-N 3.45Å; V53-C212 HydrophobicContact CG2-CB 4.15Å; V53-C212 VanDerWaalsContact CG2-SG 3.57Å
54A98.4Very high96.5Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-58.2-46.717800000111.4L19 F27 Q50 A51 M52 K57 Y84 V86L19-A54 HydrophobicContact CD1-CB 3.84Å; F27-A54 HydrophobicContact CB-CB 4.19Å; F27-A54 HydrophobicContact CD2-CB 3.6Å; F27-A54 HydrophobicContact CE2-CB 4.21Å; F27-A54 WeakPolarHBondContact CE2-O 3.14Å; F27-A54 HydrophobicContact CG-CB 3.98Å; Q50-A54 WeakPolarHBondContact O-CB 3.25Å; Q50-A54 PolarHBondContact O-N 2.99Å; A51-A54 PolarHBondContact O-N 3.22Å; M52-A54 PolarHBondContact O-N 3.14Å; A54-K57 PolarHBondContact O-N 2.97Å; A54-Y84 HydrophobicContact CB-CG 4.37Å; A54-V86 HydrophobicContact CB-CG2 3.91Å
55A98.7Very high96.7Very high0 Ų022.6 Ų22.60%012%0.122CC..Hα-helixtrans-63.5-48.617800000112A51 M52 V53 K57 T58 R98 I100 M114 F116A51-A55 WeakPolarHBondContact O-CB 3.33Å; A51-A55 PolarHBondContact O-N 2.92Å; M52-A55 PolarHBondContact O-N 3.34Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 2.9Å; A55-K57 VanDerWaalsContact C-N 3.28Å; A55-K57 PolarHBondContact O-N 3.3Å; A55-T58 PolarHBondContact O-N 3.47Å; A55-T58 PolarHBondContact O-OG1 3.38Å; A55-R98 HydrophobicContact CB-CB 4.14Å; A55-R98 HydrophobicContact CB-CG 4.3Å; A55-I100 HydrophobicContact CB-CD1 3.76Å; A55-I100 HydrophobicContact CB-CG1 3.96Å; A55-M114 HydrophobicContact CB-CE 4.42Å; A55-M114 HydrophobicContact CB-SD 3.81Å; A55-F116 HydrophobicContact CB-CE2 4.09Å; A55-F116 HydrophobicContact CB-CZ 3.68Å
56M97.6Very high96.9Very high8 Ų824.8 Ų24.84%0.03913%0.132CC..Hα-helixtrans-57-38.9178.8-78.7178.4177.600112.8M52 V53 T58 V59 P65 F116 R208 L211 C212M52-M56 HydrophobicContact CE-CE 4.27Å; M52-M56 HydrophobicContact CG-CE 3.71Å; M52-M56 HydrophobicContact CG-CG 4.46Å; M52-M56 HydrophobicContact CG-SD 4.29Å; M52-M56 WeakPolarHBondContact O-CB 3.46Å; M52-M56 VanDerWaalsContact O-CG 3.3Å; M52-M56 WeakPolarHBondContact O-CG 3.46Å; M52-M56 PolarHBondContact O-N 3.19Å; M52-M56 HydrophobicContact SD-CE 3.61Å; V53-M56 PolarHBondContact O-N 2.8Å; M56-T58 PolarHBondContact O-N 2.9Å; M56-V59 PolarHBondContact O-N 2.98Å; M56-V59 VanDerWaalsContact O-N 3.12Å; M56-V59 VanDerWaalsContact O-O 3.07Å; M56-P65 VanDerWaalsContact CE-CD 3.47Å; M56-P65 HydrophobicContact CE-CG 3.43Å; M56-P65 VanDerWaalsContact CE-CG 3.43Å; M56-F116 HydrophobicContact CG-CE1 3.77Å; M56-F116 HydrophobicContact CG-CZ 4.35Å; M56-R208 HydrophobicContact CE-CB 4.07Å; M56-R208 HydrophobicContact CE-CG 4.15Å; M56-R208 PolarHBondContact O-NH1 2.83Å; M56-R208 HydrophobicContact SD-CB 3.57Å; M56-R208 VanDerWaalsContact SD-CB 3.57Å; M56-R208 HydrophobicContact SD-CG 3.79Å; M56-L211 HydrophobicContact CE-CB 4.03Å; M56-L211 HydrophobicContact CE-CD1 4.5Å; M56-C212 PolarHBondContact SD-SG 2.9Å
57K97.6Very high97.1Very high98 Ų9825.3 Ų25.343%0.42614%0.136SC..THydrogen-bonded Turntrans-61.5-14.6176.5-75.6-177.8179.2-174.50113.4L19 F27 V53 A54 A55L19-K57 PolarHBondContact O-NZ 3.47Å; F27-K57 HydrophobicContact CD1-CD 3.88Å; F27-K57 HydrophobicContact CE1-CB 3.77Å; F27-K57 HydrophobicContact CE1-CD 3.45Å; F27-K57 VanDerWaalsContact CE1-CD 3.45Å; F27-K57 HydrophobicContact CE1-CG 4.24Å; F27-K57 HydrophobicContact CZ-CB 3.69Å; F27-K57 HydrophobicContact CZ-CD 4.26Å; V53-K57 HydrophobicContact CG1-CD 4.37Å; V53-K57 WeakPolarHBondContact O-CG 3.23Å; V53-K57 PolarHBondContact O-N 3.45Å; A54-K57 PolarHBondContact O-N 2.97Å; A55-K57 VanDerWaalsContact C-N 3.28Å; A55-K57 PolarHBondContact O-N 3.3Å
58T98.4Very high97.3Very high9 Ų925 Ų256%0.05513%0.134CC..THydrogen-bonded Turntrans-105.53.6178.971.50000114.2F27 A55 M56 V86 R98F27-T58 HydrophobicContact CE2-CG2 3.92Å; F27-T58 HydrophobicContact CZ-CG2 4Å; A55-T58 PolarHBondContact O-N 3.47Å; A55-T58 PolarHBondContact O-OG1 3.38Å; M56-T58 PolarHBondContact O-N 2.9Å; T58-V86 HydrophobicContact CG2-CB 4.2Å; T58-V86 HydrophobicContact CG2-CG1 3.93Å; T58-R98 PolarHBondContact O-NH2 2.84Å; T58-R98 WeakPolarHBondContact OG1-CD 3.2Å; T58-R98 PolarHBondContact OG1-NE 3.02Å
59V97.6Very high97.4Very high11 Ų1128 Ų287%0.06715%0.148CC..SBendtrans-125.6140-177.3-173.80000110M56 F63 R98 F116 R208M56-V59 PolarHBondContact O-N 2.98Å; M56-V59 VanDerWaalsContact O-N 3.12Å; M56-V59 VanDerWaalsContact O-O 3.07Å; V59-F63 HydrophobicContact CG1-CB 3.6Å; V59-F63 HydrophobicContact CG1-CD2 4.33Å; V59-F63 HydrophobicContact CG1-CG 4.03Å; V59-R98 HydrophobicContact CG2-CG 3.9Å; V59-F116 HydrophobicContact CB-CD1 4.5Å; V59-F116 HydrophobicContact CG1-CB 4.37Å; V59-F116 HydrophobicContact CG1-CD1 4.39Å; V59-F116 HydrophobicContact CG1-CG 4.27Å; V59-F116 HydrophobicContact CG2-CD1 4.37Å; V59-F116 HydrophobicContact CG2-CD2 3.96Å; V59-F116 HydrophobicContact CG2-CE1 4.34Å; V59-F116 HydrophobicContact CG2-CE2 3.92Å; V59-F116 HydrophobicContact CG2-CG 4.2Å; V59-F116 HydrophobicContact CG2-CZ 4.12Å; V59-R208 PolarHBondContact O-NH1 2.73Å; V59-R208 PolarHBondContact O-NH2 3.11Å
60S95.2Very high97.6Very high62 Ų6228.2 Ų28.243%0.43415%0.149SC..  trans-50.1141.6173.9174.10000112.2D62 F63 R208S60-D62 PolarHBondContact O-N 2.92Å; S60-D62 PolarHBondContact OG-N 3.47Å; S60-D62 PolarHBondContact OG-OD2 3.25Å; S60-F63 PolarHBondContact O-N 3.2Å; S60-R208 PolarHBondContact O-NH2 3.32Å
61N94.2Very high97.7Very high125 Ų12534.9 Ų34.967%0.66818%0.175SC*.THydrogen-bonded Turntrans-58.2-16.7176.8-72.6-20.6000114.2F63 R208N61-F63 PolarHBondContact O-N 3.49Å; N61-R208 PolarHBondContact OD1-NE 2.76Å; N61-R208 PolarHBondContact OD1-NH1 3.25Å
62D94.9Very high97.7Very high99 Ų9936.6 Ų36.653%0.52918%0.182SC..THydrogen-bonded Turntrans-67.5-16173.6-53.5-45.5000113.3S60 R118 G119S60-D62 PolarHBondContact O-N 2.92Å; S60-D62 PolarHBondContact OG-N 3.47Å; S60-D62 PolarHBondContact OG-OD2 3.25Å; D62-R118 HydrophobicContact CB-CG 4.44Å; D62-R118 WeakPolarHBondContact O-CA 3.49Å; D62-G119 PolarHBondContact O-N 3.36Å
63F97.8Very high97.6Very high10 Ų1041.2 Ų41.24%0.04421%0.206CC..EExtended strand (participates in β ladder)trans-111134.9-178.8-66.4-107.4000110.7V59 S60 N61 S94 S96 F116 Q117 R118 R208V59-F63 HydrophobicContact CG1-CB 3.6Å; V59-F63 HydrophobicContact CG1-CD2 4.33Å; V59-F63 HydrophobicContact CG1-CG 4.03Å; S60-F63 PolarHBondContact O-N 3.2Å; N61-F63 PolarHBondContact O-N 3.49Å; F63-S94 WeakPolarHBondContact CE1-O 3.21Å; F63-S96 WeakPolarHBondContact CE1-OG 3.44Å; F63-F116 HydrophobicContact CB-CB 3.94Å; F63-F116 HydrophobicContact CD1-CB 4.39Å; F63-Q117 WeakPolarHBondContact CA-O 3.39Å; F63-R118 HydrophobicContact CD1-CB 4.03Å; F63-R118 VanDerWaalsContact CD1-N 3.33Å; F63-R118 HydrophobicContact CE1-CB 3.88Å; F63-R118 HydrophobicContact CE2-CB 4.43Å; F63-R118 HydrophobicContact CG-CB 4.39Å; F63-R118 HydrophobicContact CZ-CB 4.09Å; F63-R208 PolarHBondContact O-NH2 3.47Å
64L97.9Very high97.5Very high19 Ų1942.2 Ų42.210%0.09922%0.217CC..EExtended strand (participates in β ladder)trans-119.7148.2174.9-63.7174.7000109.5H66 F116 Q117 R207 R208 L211 P252L64-H66 PolarHBondContact O-N 3.42Å; L64-F116 CarbonylContact O-C 3.46Å; L64-F116 VanDerWaalsContact O-CA 3.23Å; L64-F116 WeakPolarHBondContact O-CA 3.33Å; L64-Q117 PolarHBondContact N-O 2.99Å; L64-Q117 PolarHBondContact O-N 2.86Å; L64-R207 HydrophobicContact CD1-CB 4.24Å; L64-R207 VanDerWaalsContact CD1-NE 3.32Å; L64-R207 VanDerWaalsContact CD1-NH2 3.32Å; L64-R207 HydrophobicContact CD2-CB 4.35Å; L64-R208 HydrophobicContact CD2-CG 3.58Å; L64-L211 HydrophobicContact CB-CD1 4.16Å; L64-L211 HydrophobicContact CD1-CD1 4.48Å; L64-L211 HydrophobicContact CD2-CD1 4.15Å; L64-L211 HydrophobicContact CG-CD1 4.5Å; L64-P252 HydrophobicContact CB-CB 4.43Å; L64-P252 HydrophobicContact CD1-CB 4.03Å; L64-P252 HydrophobicContact CD1-CG 4.35Å
65P98Very high97.2Very high1 Ų144.7 Ų44.71%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-61.3130.9174.729.7-38.1000109.4M52 M56 M114 S115 F116 L211M52-P65 HydrophobicContact CE-CB 3.59Å; M52-P65 HydrophobicContact CE-CG 3.28Å; M52-P65 HydrophobicContact SD-CG 4.22Å; M56-P65 VanDerWaalsContact CE-CD 3.47Å; M56-P65 HydrophobicContact CE-CG 3.43Å; M56-P65 VanDerWaalsContact CE-CG 3.43Å; P65-M114 HydrophobicContact CB-CG 4.43Å; P65-M114 HydrophobicContact CB-SD 4.23Å; P65-S115 WeakPolarHBondContact CA-O 3.45Å; P65-F116 HydrophobicContact CB-CD1 4.18Å; P65-F116 HydrophobicContact CB-CE1 4.1Å; P65-F116 HydrophobicContact CG-CE1 4.5Å; P65-L211 HydrophobicContact CG-CB 4.37Å; P65-L211 HydrophobicContact CG-CD1 3.9Å
66H97.9Very high96.9Very high46 Ų4645 Ų4521%0.21325%0.245CC..EExtended strand (participates in β ladder)trans-109.8-22169.871.487.1000111.4L64 F95 S115 Q117 W248 F249L64-H66 PolarHBondContact O-N 3.42Å; H66-F95 AromaticContact NE2-CD1 3.79Å; H66-F95 AromaticContact NE2-CE1 3.98Å; H66-S115 VanDerWaalsContact CD2-C 3.49Å; H66-S115 PolarHBondContact CD2-O 3.42Å; H66-S115 PolarHBondContact CE1-OG 3.24Å; H66-S115 PolarHBondContact N-O 2.88Å; H66-S115 WeakPolarHBondContact NE2-CB 3.27Å; H66-S115 PolarHBondContact NE2-OG 2.86Å; H66-Q117 HydrophobicContact CB-CB 4.28Å; H66-W248 CarbonylContact O-C 3.55Å; H66-W248 WeakPolarHBondContact O-CA 3.13Å; H66-F249 PolarHBondContact O-N 3.2Å
67S98.7Very high96.6Very high10 Ų1047.6 Ų47.67%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-151.4155.3169.573.60000113.3S115 I247S67-S115 PolarHBondContact N-O 2.76Å; S67-S115 PolarHBondContact O-N 3.46Å; S67-I247 CarbonylContact C-O 3.52Å; S67-I247 WeakPolarHBondContact CA-O 3.47Å; S67-I247 WeakPolarHBondContact CB-O 3.47Å
68L98.8Very high96.3Very high0 Ų047 Ų470%025%0.254CS..EExtended strand (participates in β ladder)trans-141149.7164.169.484.6000110.7I48 M52 D113 M114 S246 I247I48-L68 HydrophobicContact CG2-CD1 4.02Å; I48-L68 HydrophobicContact CG2-CD2 3.79Å; M52-L68 HydrophobicContact CE-CD2 4.11Å; L68-D113 CarbonylContact C-O 3.56Å; L68-D113 VanDerWaalsContact CA-O 3.31Å; L68-D113 WeakPolarHBondContact CA-O 3.24Å; L68-M114 HydrophobicContact CB-CB 4.39Å; L68-M114 HydrophobicContact CB-CE 3.86Å; L68-M114 HydrophobicContact CB-CG 4.14Å; L68-M114 HydrophobicContact CD2-CE 3.7Å; L68-M114 HydrophobicContact CG-CE 4.45Å; L68-S246 CarbonylContact O-C 3.52Å; L68-S246 VanDerWaalsContact O-CA 3.28Å; L68-S246 WeakPolarHBondContact O-CA 3.38Å; L68-I247 HydrophobicContact CD1-CB 4.44Å; L68-I247 HydrophobicContact CD1-CD1 4.24Å; L68-I247 HydrophobicContact CD1-CG1 3.98Å; L68-I247 HydrophobicContact CD2-CD1 4.02Å; L68-I247 HydrophobicContact CD2-CG1 4.43Å; L68-I247 HydrophobicContact CG-CB 4.08Å; L68-I247 HydrophobicContact CG-CD1 4.22Å; L68-I247 HydrophobicContact CG-CG1 4.08Å; L68-I247 PolarHBondContact N-O 2.71Å; L68-I247 PolarHBondContact O-N 2.78Å
69H98.9Very high95.9Very high66 Ų6651 Ų5131%0.30628%0.282SS..EExtended strand (participates in β ladder)trans-134.7118.3175.2-55.3-83.2000108.1C112 D113 S246 W248H69-C112 CarbonylContact O-C 3.55Å; H69-C112 WeakPolarHBondContact O-CA 3.24Å; H69-D113 PolarHBondContact N-O 3.47Å; H69-D113 PolarHBondContact O-N 3.43Å; H69-S246 PolarHBondContact ND1-OG 3.06Å; H69-W248 AromaticContact CE1-CE2 3.6Å; H69-W248 AromaticContact CE1-CZ2 3.37Å; H69-W248 WeakPolarHBondContact CE1-CZ2 3.37Å; H69-W248 AromaticContact CE1-NE1 3.73Å
70C98.4Very high95.7Very high3 Ų352 Ų522%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-128.6147.7-179.676.60000113T111 C112 D244 H245C70-T111 CarbonylContact C-O 3.59Å; C70-T111 WeakPolarHBondContact CA-O 3.31Å; C70-T111 WeakPolarHBondContact CB-O 3.2Å; C70-C112 HydrophobicContact CB-CB 3.71Å; C70-D244 CarbonylContact O-C 3.56Å; C70-D244 WeakPolarHBondContact O-CA 3.18Å; C70-D244 WeakPolarHBondContact O-CB 3.43Å; C70-H245 PolarHBondContact N-O 3.41Å; C70-H245 PolarHBondContact O-N 3.34Å; C70-H245 PolarHBondContact SG-O 3.42Å
71Y98.7Very high95.7Very high142 Ų14251.3 Ų51.356%0.55728%0.282SS*.EExtended strand (participates in β ladder)trans-112.7127.2172.6-70.4-79.8000109.1I73 C110 T111 D244Y71-I73 PolarHBondContact O-N 2.89Å; Y71-C110 VanDerWaalsContact O-CA 3.24Å; Y71-C110 WeakPolarHBondContact O-CA 3.45Å; Y71-C110 PolarHBondContact O-SG 3.2Å; Y71-T111 PolarHBondContact N-O 3.31Å; Y71-T111 PolarHBondContact O-N 3.27Å; Y71-T111 VanDerWaalsContact O-N 3.17Å; Y71-D244 HydrophobicContact CD1-CB 3.78Å; Y71-D244 HydrophobicContact CE1-CB 4.04Å
72F97.7Very high95.9Very high38 Ų3845.4 Ų45.417%0.16725%0.25CS..EExtended strand (participates in β ladder)trans-84.8106.4170.7-62.5-63000109V47 I48 C110 L243 H245V47-F72 HydrophobicContact CB-CE1 4.44Å; I48-F72 HydrophobicContact CD1-CZ 3.78Å; I48-F72 HydrophobicContact CG1-CE1 4.38Å; I48-F72 HydrophobicContact CG1-CZ 4.04Å; F72-C110 HydrophobicContact CD1-CB 4.3Å; F72-L243 PolarHBondContact N-O 2.84Å; F72-H245 HydrophobicContact CE2-CB 3.99Å; F72-H245 HydrophobicContact CZ-CB 4.39Å
73I97.3Very high96.1Very high97 Ų9742.4 Ų42.450%0.49724%0.236SC..  trans-90.4-41.2-171.6-60.2168.8000110.7Y71 H108 I109 T111Y71-I73 PolarHBondContact O-N 2.89Å; I73-H108 WeakPolarHBondContact CB-O 3.44Å; I73-H108 HydrophobicContact CD1-CB 4.19Å; I73-H108 WeakPolarHBondContact CG2-O 3.47Å; I73-I109 PolarHBondContact N-O 2.92Å; I73-T111 HydrophobicContact CD1-CG2 3.74Å
74A94.9Very high96.1Very high43 Ų4341.9 Ų41.936%0.35523%0.234SC..SBendtrans-145.9150.8-179.200000111.1A76 V107 I109A74-A76 PolarHBondContact O-N 3.4Å; A74-V107 HydrophobicContact CB-CG1 4.41Å; A74-I109 HydrophobicContact CB-CG2 4.29Å; A74-I109 PolarHBondContact N-O 2.77Å; A74-I109 VanDerWaalsContact N-O 3.16Å
75G91.6Very high96.1Very high51 Ų5142.2 Ų42.253%0.52624%0.237SC..PPolyproline II helixtrans-67122.6175.100000110.6
76A92.5Very high96.2Very high7 Ų742.2 Ų42.26%0.05824%0.237CC..PPolyproline II helixtrans-79.8138.417700000111.3R41 V42 A74 I82 I109R41-A76 CarbonylContact C-O 3.55Å; R41-A76 WeakPolarHBondContact CA-O 3.45Å; V42-A76 HydrophobicContact CB-CB 3.94Å; V42-A76 HydrophobicContact CG2-CB 3.76Å; V42-A76 PolarHBondContact N-O 2.91Å; A74-A76 PolarHBondContact O-N 3.4Å; A76-I82 HydrophobicContact CB-CD1 4.09Å; A76-I109 HydrophobicContact CB-CB 4.4Å; A76-I109 HydrophobicContact CB-CD1 3.42Å; A76-I109 VanDerWaalsContact CB-CD1 3.42Å; A76-I109 HydrophobicContact CB-CG1 4.49Å; A76-I109 HydrophobicContact CB-CG2 4.34Å
77D91.7Very high96.2Very high62 Ų6243.1 Ų43.133%0.33224%0.244SC..BIsolated β-bridgetrans-85.8121175.3-172.9-29.3000110.4S79 V80 Q104D77-S79 VanDerWaalsContact CG-OG 3.23Å; D77-S79 PolarHBondContact O-N 2.91Å; D77-S79 VanDerWaalsContact O-N 3.13Å; D77-S79 WeakPolarHBondContact OD1-CB 3.31Å; D77-S79 PolarHBondContact OD1-N 2.99Å; D77-S79 PolarHBondContact OD1-OG 3.46Å; D77-S79 PolarHBondContact OD2-OG 3.21Å; D77-V80 HydrophobicContact CB-CB 4.48Å; D77-V80 HydrophobicContact CB-CG2 4.24Å; D77-V80 PolarHBondContact O-N 3.31Å; D77-V80 VanDerWaalsContact O-N 3.13Å; D77-Q104 PolarHBondContact O-NE2 3.33Å
78R90.4Very high96.2Very high86 Ų8648.5 Ų48.533%0.32526%0.263SS..THydrogen-bonded Turntrans-60.9-18.8179.270.5178.3-178.9174.10.1114.9L32 P40 V42L32-R78 HydrophobicContact CB-CB 4.11Å; P40-R78 WeakPolarHBondContact O-CB 3.38Å; P40-R78 PolarHBondContact O-N 2.99Å; V42-R78 HydrophobicContact CG2-CB 4.06Å
79S90.3Very high96.2Very high94 Ų9452.8 Ų52.866%0.65729%0.289SS*.THydrogen-bonded Turntrans-84.8-11.5179.569.70000113.5D77D77-S79 VanDerWaalsContact CG-OG 3.23Å; D77-S79 PolarHBondContact O-N 2.91Å; D77-S79 VanDerWaalsContact O-N 3.13Å; D77-S79 WeakPolarHBondContact OD1-CB 3.31Å; D77-S79 PolarHBondContact OD1-N 2.99Å; D77-S79 PolarHBondContact OD1-OG 3.46Å; D77-S79 PolarHBondContact OD2-OG 3.21Å
80V93.6Very high96.2Very high32 Ų3257.7 Ų57.719%0.19430%0.304CS..SBendtrans-112.7131-177.5-177.70000109.2L32 D77 Q104L32-V80 WeakPolarHBondContact CD1-O 3.39Å; D77-V80 HydrophobicContact CB-CB 4.48Å; D77-V80 HydrophobicContact CB-CG2 4.24Å; D77-V80 PolarHBondContact O-N 3.31Å; D77-V80 VanDerWaalsContact O-N 3.13Å; V80-Q104 HydrophobicContact CG1-CG 4.38Å; V80-Q104 PolarHBondContact O-NE2 3.36Å
81P95.9Very high96.2Very high47 Ų4762.1 Ų62.131%0.30533%0.328SS..PPolyproline II helixtrans-59142.2176-2534.8000112.6R28 G29 R30R28-P81 HydrophobicContact CG-CB 3.85Å; G29-P81 CarbonylContact O-C 3.55Å; G29-P81 WeakPolarHBondContact O-CA 3.5Å; G29-P81 WeakPolarHBondContact O-CB 3.35Å; R30-P81 HydrophobicContact CG-CB 4.27Å; R30-P81 HydrophobicContact CG-CG 4.29Å
82I98.1Very high96.1Very high0 Ų056.4 Ų56.40%031%0.312CS..EExtended strand (participates in β ladder)trans-90.8130.5171-61.1169.7000108.6R28 G29 L32 V42 V47 A76 Y84 A102 Q104 I109R28-I82 CarbonylContact C-O 3.59Å; R28-I82 WeakPolarHBondContact CA-O 3.47Å; G29-I82 PolarHBondContact N-O 3.48Å; G29-I82 PolarHBondContact O-N 2.83Å; L32-I82 HydrophobicContact CD1-CD1 3.97Å; L32-I82 HydrophobicContact CD1-CG1 3.8Å; L32-I82 HydrophobicContact CD2-CD1 3.72Å; L32-I82 HydrophobicContact CD2-CG1 4.21Å; V42-I82 HydrophobicContact CG1-CD1 4.47Å; V42-I82 HydrophobicContact CG2-CD1 4.44Å; V47-I82 HydrophobicContact CG2-CD1 4.07Å; A76-I82 HydrophobicContact CB-CD1 4.09Å; I82-Y84 HydrophobicContact CB-CE2 3.84Å; I82-Y84 HydrophobicContact CG2-CD2 4.01Å; I82-Y84 HydrophobicContact CG2-CE1 4.08Å; I82-Y84 HydrophobicContact CG2-CE2 3.45Å; I82-Y84 VanDerWaalsContact CG2-CE2 3.45Å; I82-Y84 VanDerWaalsContact CG2-CZ 3.48Å; I82-A102 HydrophobicContact CG2-CB 3.88Å; I82-Q104 HydrophobicContact CB-CG 4.43Å; I82-Q104 HydrophobicContact CG1-CG 3.83Å; I82-I109 HydrophobicContact CB-CD1 4.43Å; I82-I109 HydrophobicContact CD1-CD1 3.64Å; I82-I109 HydrophobicContact CG1-CD1 3.75Å; I82-I109 HydrophobicContact CG2-CD1 3.8Å
83V98.5Very high96Very high36 Ų3665 Ų6522%0.21834%0.343CS..EExtended strand (participates in β ladder)trans-99.9125.8172.3178.50000109.4L26 F27 R28 A102 I103L26-V83 HydrophobicContact CD1-CG1 3.45Å; L26-V83 VanDerWaalsContact CD1-CG1 3.45Å; L26-V83 HydrophobicContact CD2-CG1 4.41Å; L26-V83 HydrophobicContact CG-CG1 3.9Å; F27-V83 CarbonylContact O-C 3.59Å; F27-V83 WeakPolarHBondContact O-CA 3.15Å; R28-V83 HydrophobicContact CG-CG2 4.47Å; V83-A102 CarbonylContact O-C 3.51Å; V83-A102 WeakPolarHBondContact O-CA 3.24Å; V83-I103 PolarHBondContact N-O 3.32Å; V83-I103 PolarHBondContact O-N 3.03Å
84Y98.8Very high96Very high0 Ų063.2 Ų63.20%034%0.34CS..EExtended strand (participates in β ladder)trans-104111.8176.5-63.5-91.1000109.5L19 L26 F27 V47 Q50 A51 A54 I82 I100 K101 A102L19-Y84 HydrophobicContact CD1-CD2 4.4Å; L19-Y84 HydrophobicContact CD2-CD2 4.01Å; L19-Y84 HydrophobicContact CD2-CE2 4.02Å; L26-Y84 WeakPolarHBondContact CA-O 3.4Å; F27-Y84 PolarHBondContact N-O 3.4Å; F27-Y84 PolarHBondContact O-N 2.72Å; V47-Y84 HydrophobicContact CG1-CE1 4.36Å; V47-Y84 PolarHBondContact O-OH 2.94Å; Q50-Y84 HydrophobicContact CB-CE1 4.09Å; Q50-Y84 HydrophobicContact CB-CE2 3.67Å; Q50-Y84 VanDerWaalsContact CB-CZ 3.43Å; Q50-Y84 WeakPolarHBondContact CB-OH 3.4Å; Q50-Y84 PolarHBondContact OE1-OH 2.8Å; Q50-Y84 VanDerWaalsContact OE1-OH 3.13Å; A51-Y84 HydrophobicContact CB-CD1 4.01Å; A51-Y84 HydrophobicContact CB-CE1 3.89Å; A54-Y84 HydrophobicContact CB-CG 4.37Å; I82-Y84 HydrophobicContact CB-CE2 3.84Å; I82-Y84 HydrophobicContact CG2-CD2 4.01Å; I82-Y84 HydrophobicContact CG2-CE1 4.08Å; I82-Y84 HydrophobicContact CG2-CE2 3.45Å; I82-Y84 VanDerWaalsContact CG2-CE2 3.45Å; I82-Y84 VanDerWaalsContact CG2-CZ 3.48Å; Y84-I100 HydrophobicContact CD1-CG2 4.05Å; Y84-K101 WeakPolarHBondContact CA-O 3.28Å; Y84-A102 HydrophobicContact CD1-CB 3.9Å; Y84-A102 HydrophobicContact CE1-CB 3.68Å
85S98.8Very high96.2Very high25 Ų2565.5 Ų65.518%0.17534%0.342CS..EExtended strand (participates in β ladder)trans-97.8126172.8-1790000109.5I100 K101S85-I100 WeakPolarHBondContact O-CA 3.38Å; S85-K101 PolarHBondContact N-O 2.71Å; S85-K101 PolarHBondContact O-N 2.9Å
86V98.9Very high96.6Very high2 Ų263.2 Ų63.21%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-110.5112.2-175.8-1780000110.8N25 F27 A54 T58 R98 I100N25-V86 WeakPolarHBondContact CB-O 3.46Å; N25-V86 PolarHBondContact O-N 2.79Å; F27-V86 HydrophobicContact CD2-CG2 4.04Å; F27-V86 HydrophobicContact CE2-CG2 3.93Å; A54-V86 HydrophobicContact CB-CG2 3.91Å; T58-V86 HydrophobicContact CG2-CB 4.2Å; T58-V86 HydrophobicContact CG2-CG1 3.93Å; V86-R98 HydrophobicContact CG1-CB 4.17Å; V86-R98 HydrophobicContact CG1-CG 4.23Å; V86-I100 HydrophobicContact CG1-CG1 4.45Å; V86-I100 HydrophobicContact CG2-CG1 4.16Å; V86-I100 HydrophobicContact CG2-CG2 4.39Å
87D98.8Very high96.9Very high64 Ų6464.7 Ų64.734%0.34233%0.325SS..EExtended strand (participates in β ladder)trans-87.2123.1171.7-57.5-23.4000108.9V89 R98 F99 K101D87-V89 PolarHBondContact O-N 3.39Å; D87-V89 VanDerWaalsContact O-N 3.11Å; D87-R98 WeakPolarHBondContact O-CA 3.27Å; D87-F99 HydrophobicContact CB-CB 4.29Å; D87-F99 PolarHBondContact N-O 3.23Å; D87-F99 PolarHBondContact O-N 3.5Å; D87-K101 VanDerWaalsContact CG-NZ 3.29Å; D87-K101 IonicContact OD1-NZ 3.85Å; D87-K101 PolarHBondContact OD1-NZ 3.49Å; D87-K101 VanDerWaalsContact OD1-NZ 3.08Å; D87-K101 IonicContact OD2-NZ 3.36Å; D87-K101 PolarHBondContact OD2-NZ 3.31Å
88R98.5Very high97.2Very high124 Ų12461.8 Ų61.847%0.46831%0.309SS..EExtended strand (participates in β ladder)trans-82.185.3176.5-58.5-171.6-172.9-1610.4109.9N25N25-R88 PolarHBondContact OD1-NE 2.88Å; N25-R88 PolarHBondContact OD1-NH2 2.94Å; N25-R88 VanDerWaalsContact OD1-NH2 3.12Å
89V98.5Very high97.6Very high90 Ų9060.5 Ų60.555%0.54531%0.306SS..EExtended strand (participates in β ladder)trans-63.7-46.7-173.9-179.50000111.7D87 N97 F99D87-V89 PolarHBondContact O-N 3.39Å; D87-V89 VanDerWaalsContact O-N 3.11Å; V89-N97 HydrophobicContact CB-CB 3.98Å; V89-N97 HydrophobicContact CG1-CB 4.31Å; V89-N97 PolarHBondContact N-O 3.23Å; V89-F99 HydrophobicContact CG2-CB 3.76Å
90R98.1Very high98Very high168 Ų16856.1 Ų56.163%0.63428%0.275SS*.EExtended strand (participates in β ladder)trans-159140.6-179.7-175.6177.1178.1176.60.2111.5S96 N97 R98R90-S96 CarbonylContact O-C 3.52Å; R90-S96 VanDerWaalsContact O-CA 3.28Å; R90-S96 WeakPolarHBondContact O-CA 3.36Å; R90-N97 HydrophobicContact CB-CB 4.44Å; R90-N97 PolarHBondContact N-O 3.29Å; R90-N97 PolarHBondContact O-N 2.88Å; R90-R98 PolarHBondContact O-NH1 2.77Å
91D98.1Very high98.2Very high97 Ų9756.5 Ų56.552%0.51927%0.274SS..EExtended strand (participates in β ladder)trans-117.7107.3163.7-69.7-33.2000108.7S96 R98D91-S96 PolarHBondContact OD1-OG 2.77Å; D91-R98 IonicContact OD1-CZ 3.4Å; D91-R98 IonicContact OD1-NH1 2.72Å; D91-R98 PolarHBondContact OD1-NH1 2.97Å; D91-R98 IonicContact OD1-NH2 3.39Å; D91-R98 PolarHBondContact OD1-NH2 3.13Å; D91-R98 IonicContact OD2-NH2 3.83Å; D91-R98 PolarHBondContact OD2-NH2 3.5Å
92G97.1Very high98.4Very high22 Ų2254.4 Ų54.423%0.22726%0.261CS..  trans-105.9176.4178.800000112.4F95G92-F95 CarbonylContact C-O 3.55Å; G92-F95 WeakPolarHBondContact CA-O 3.18Å; G92-F95 PolarHBondContact N-O 2.9Å
93R96.7Very high98.4Very high217 Ų21756.1 Ų56.182%0.81927%0.269SS*.SBendtrans-60.7-48.5176.1-177.9178.6176-178.7-1.1111.9R118R93-R118 VanDerWaalsContact O-CZ 3.28Å; R93-R118 PolarHBondContact O-NE 3.19Å; R93-R118 PolarHBondContact O-NH2 2.98Å
94S97.3Very high98.3Very high61 Ų6155 Ų5543%0.42726%0.262SS..SBendtrans-108.1-25.9-174.1-50.90000113.8F63 Q117 R118F63-S94 WeakPolarHBondContact CE1-O 3.21Å; S94-Q117 WeakPolarHBondContact O-CA 3.18Å; S94-R118 PolarHBondContact O-N 3.37Å
95F98.4Very high98.1Very high90 Ų9061.5 Ų61.540%0.39530%0.297SS..EExtended strand (participates in β ladder)trans-130.5147.2-178.1-62.3-82.3000111.7H66 G92 F116 Q117H66-F95 AromaticContact NE2-CD1 3.79Å; H66-F95 AromaticContact NE2-CE1 3.98Å; G92-F95 CarbonylContact C-O 3.55Å; G92-F95 WeakPolarHBondContact CA-O 3.18Å; G92-F95 PolarHBondContact N-O 2.9Å; F95-F116 CarbonylContact C-O 3.52Å; F95-F116 WeakPolarHBondContact CA-O 3.4Å; F95-Q117 HydrophobicContact CD1-CB 3.87Å; F95-Q117 HydrophobicContact CD1-CG 4.14Å; F95-Q117 HydrophobicContact CE1-CB 3.73Å; F95-Q117 HydrophobicContact CE1-CG 3.65Å; F95-Q117 HydrophobicContact CZ-CG 4.24Å
96S98.7Very high97.9Very high3 Ų363.7 Ų63.72%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-132.3142.7171.1-57.80000109.9F63 R90 D91 F116F63-S96 WeakPolarHBondContact CE1-OG 3.44Å; R90-S96 CarbonylContact O-C 3.52Å; R90-S96 VanDerWaalsContact O-CA 3.28Å; R90-S96 WeakPolarHBondContact O-CA 3.36Å; D91-S96 PolarHBondContact OD1-OG 2.77Å; S96-F116 PolarHBondContact N-O 2.98Å; S96-F116 PolarHBondContact O-N 2.9Å
97N98.8Very high97.8Very high39 Ų3967.4 Ų67.421%0.20935%0.346CS..EExtended strand (participates in β ladder)trans-121.2138.9-176.1-66.189.9000110.6V89 R90 M114 S115V89-N97 HydrophobicContact CB-CB 3.98Å; V89-N97 HydrophobicContact CG1-CB 4.31Å; V89-N97 PolarHBondContact N-O 3.23Å; R90-N97 HydrophobicContact CB-CB 4.44Å; R90-N97 PolarHBondContact N-O 3.29Å; R90-N97 PolarHBondContact O-N 2.88Å; N97-M114 WeakPolarHBondContact CA-O 3.25Å; N97-S115 PolarHBondContact ND2-OG 3.37Å
98R98.8Very high97.8Very high1 Ų168.2 Ų68.20%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-130136.1175.3-62.8-60.5179.6-954.8109.4A55 T58 V59 V86 D87 R90 D91 I100 M114 F116A55-R98 HydrophobicContact CB-CB 4.14Å; A55-R98 HydrophobicContact CB-CG 4.3Å; T58-R98 PolarHBondContact O-NH2 2.84Å; T58-R98 WeakPolarHBondContact OG1-CD 3.2Å; T58-R98 PolarHBondContact OG1-NE 3.02Å; V59-R98 HydrophobicContact CG2-CG 3.9Å; V86-R98 HydrophobicContact CG1-CB 4.17Å; V86-R98 HydrophobicContact CG1-CG 4.23Å; D87-R98 WeakPolarHBondContact O-CA 3.27Å; R90-R98 PolarHBondContact O-NH1 2.77Å; D91-R98 IonicContact OD1-CZ 3.4Å; D91-R98 IonicContact OD1-NH1 2.72Å; D91-R98 PolarHBondContact OD1-NH1 2.97Å; D91-R98 IonicContact OD1-NH2 3.39Å; D91-R98 PolarHBondContact OD1-NH2 3.13Å; D91-R98 IonicContact OD2-NH2 3.83Å; D91-R98 PolarHBondContact OD2-NH2 3.5Å; R98-I100 HydrophobicContact CB-CD1 3.9Å; R98-M114 PolarHBondContact N-O 3.18Å; R98-M114 PolarHBondContact O-N 2.83Å; R98-F116 HydrophobicContact CB-CE2 4.13Å; R98-F116 HydrophobicContact CG-CD2 4.36Å; R98-F116 HydrophobicContact CG-CE2 3.75Å
99F98.9Very high97.8Very high59 Ų5962.6 Ų62.626%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-110.6124.4168.7-179-102.4000108.5D87 V89 K101 T111 C112 D113D87-F99 HydrophobicContact CB-CB 4.29Å; D87-F99 PolarHBondContact N-O 3.23Å; D87-F99 PolarHBondContact O-N 3.5Å; V89-F99 HydrophobicContact CG2-CB 3.76Å; F99-K101 HydrophobicContact CD1-CG 4.23Å; F99-K101 HydrophobicContact CE1-CD 4.02Å; F99-K101 HydrophobicContact CE1-CG 3.64Å; F99-K101 HydrophobicContact CZ-CG 4.44Å; F99-T111 HydrophobicContact CZ-CG2 3.84Å; F99-C112 CarbonylContact C-O 3.55Å; F99-C112 WeakPolarHBondContact CA-O 3.36Å; F99-D113 HydrophobicContact CD2-CB 4.36Å
100I98.8Very high97.8Very high2 Ų258.5 Ų58.51%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-116.8130-171.7-53.789.5000108.6A51 A55 Y84 S85 V86 R98 T111 C112 M114A51-I100 HydrophobicContact CB-CG2 4.11Å; A55-I100 HydrophobicContact CB-CD1 3.76Å; A55-I100 HydrophobicContact CB-CG1 3.96Å; Y84-I100 HydrophobicContact CD1-CG2 4.05Å; S85-I100 WeakPolarHBondContact O-CA 3.38Å; V86-I100 HydrophobicContact CG1-CG1 4.45Å; V86-I100 HydrophobicContact CG2-CG1 4.16Å; V86-I100 HydrophobicContact CG2-CG2 4.39Å; R98-I100 HydrophobicContact CB-CD1 3.9Å; I100-T111 CarbonylContact O-C 3.52Å; I100-T111 WeakPolarHBondContact O-CA 3.19Å; I100-C112 HydrophobicContact CB-CB 4.31Å; I100-C112 HydrophobicContact CD1-CB 4.47Å; I100-C112 WeakPolarHBondContact CD1-O 3.42Å; I100-C112 PolarHBondContact N-O 3.02Å; I100-C112 PolarHBondContact O-N 2.88Å; I100-M114 HydrophobicContact CD1-CB 3.92Å
101K98.8Very high97.8Very high40 Ų4051.7 Ų51.717%0.17428%0.279CS..EExtended strand (participates in β ladder)trans-109.6119.1171.2-63.3163.1-63.9-144.30108.1Y84 S85 D87 F99 I103 T111Y84-K101 WeakPolarHBondContact CA-O 3.28Å; S85-K101 PolarHBondContact N-O 2.71Å; S85-K101 PolarHBondContact O-N 2.9Å; D87-K101 VanDerWaalsContact CG-NZ 3.29Å; D87-K101 IonicContact OD1-NZ 3.85Å; D87-K101 PolarHBondContact OD1-NZ 3.49Å; D87-K101 VanDerWaalsContact OD1-NZ 3.08Å; D87-K101 IonicContact OD2-NZ 3.36Å; D87-K101 PolarHBondContact OD2-NZ 3.31Å; F99-K101 HydrophobicContact CD1-CG 4.23Å; F99-K101 HydrophobicContact CE1-CD 4.02Å; F99-K101 HydrophobicContact CE1-CG 3.64Å; F99-K101 HydrophobicContact CZ-CG 4.44Å; K101-I103 HydrophobicContact CB-CD1 4.14Å; K101-I103 HydrophobicContact CB-CG1 4.1Å; K101-T111 HydrophobicContact CG-CG2 4.42Å
102A98.7Very high97.8Very high2 Ų247.2 Ų47.22%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-91.3126168.100000108.7V47 I82 V83 Y84 H108 I109 C110V47-A102 HydrophobicContact CG1-CB 4.27Å; I82-A102 HydrophobicContact CG2-CB 3.88Å; V83-A102 CarbonylContact O-C 3.51Å; V83-A102 WeakPolarHBondContact O-CA 3.24Å; Y84-A102 HydrophobicContact CD1-CB 3.9Å; Y84-A102 HydrophobicContact CE1-CB 3.68Å; A102-H108 CarbonylContact O-C 3.56Å; A102-H108 WeakPolarHBondContact O-CA 3.08Å; A102-I109 HydrophobicContact CB-CD1 4.05Å; A102-I109 HydrophobicContact CB-CG1 3.77Å; A102-I109 WeakPolarHBondContact O-CG1 3.19Å; A102-I109 PolarHBondContact O-N 2.88Å; A102-C110 HydrophobicContact CB-CB 4.03Å; A102-C110 PolarHBondContact N-O 2.96Å; A102-C110 PolarHBondContact O-N 2.86Å
103I98.6Very high97.9Very high36 Ų3649.3 Ų49.319%0.18526%0.261CS..EExtended strand (participates in β ladder)trans-131.1132.8-165.8-48-179.2000109.7V83 K101 V107V83-I103 PolarHBondContact N-O 3.32Å; V83-I103 PolarHBondContact O-N 3.03Å; K101-I103 HydrophobicContact CB-CD1 4.14Å; K101-I103 HydrophobicContact CB-CG1 4.1Å; I103-V107 VanDerWaalsContact CA-O 3.31Å; I103-V107 WeakPolarHBondContact CA-O 3.36Å
104Q97Very high98Very high12 Ų1239 Ų396%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-130.8132166.6-78.9-174.1-28.400109.4D77 V80 I82 G106 V107 I109D77-Q104 PolarHBondContact O-NE2 3.33Å; V80-Q104 HydrophobicContact CG1-CG 4.38Å; V80-Q104 PolarHBondContact O-NE2 3.36Å; I82-Q104 HydrophobicContact CB-CG 4.43Å; I82-Q104 HydrophobicContact CG1-CG 3.83Å; Q104-G106 PolarHBondContact O-N 2.92Å; Q104-G106 VanDerWaalsContact O-N 3.1Å; Q104-V107 PolarHBondContact N-O 3.38Å; Q104-V107 WeakPolarHBondContact O-CB 3.41Å; Q104-V107 PolarHBondContact O-N 3.31Å; Q104-I109 HydrophobicContact CB-CG2 4.17Å; Q104-I109 HydrophobicContact CG-CD1 4.32Å
105N94.4Very high98.1Very high138 Ų13836.9 Ų36.974%0.73821%0.207SC*.THydrogen-bonded Turntrans5037.3178.6-60.8-29.6000113.8V107N105-V107 PolarHBondContact O-N 2.9Å
106G94.7Very high98.1Very high70 Ų7032.6 Ų32.672%0.72219%0.188SC*.THydrogen-bonded Turntrans76.7-1.6-177.400000115.4Q104Q104-G106 PolarHBondContact O-N 2.92Å; Q104-G106 VanDerWaalsContact O-N 3.1Å
107V97.1Very high98.1Very high81 Ų8135.8 Ų35.849%0.49120%0.203SC..EExtended strand (participates in β ladder)trans-97.2131.5177.8-179.20000110A74 I103 Q104 N105 I109A74-V107 HydrophobicContact CB-CG1 4.41Å; I103-V107 VanDerWaalsContact CA-O 3.31Å; I103-V107 WeakPolarHBondContact CA-O 3.36Å; Q104-V107 PolarHBondContact N-O 3.38Å; Q104-V107 WeakPolarHBondContact O-CB 3.41Å; Q104-V107 PolarHBondContact O-N 3.31Å; N105-V107 PolarHBondContact O-N 2.9Å; V107-I109 PolarHBondContact O-N 3.2Å
108H97.9Very high98Very high81 Ų8139.2 Ų39.238%0.37521%0.213SC..EExtended strand (participates in β ladder)trans-71.8113.4170.2-62.6171.9000109.3I73 A102I73-H108 WeakPolarHBondContact CB-O 3.44Å; I73-H108 HydrophobicContact CD1-CB 4.19Å; I73-H108 WeakPolarHBondContact CG2-O 3.47Å; A102-H108 CarbonylContact O-C 3.56Å; A102-H108 WeakPolarHBondContact O-CA 3.08Å
109I97.5Very high97.6Very high5 Ų542.3 Ų42.33%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-89.4-28.1177.154.8158.9000111.6I73 A74 A76 I82 A102 Q104 V107I73-I109 PolarHBondContact N-O 2.92Å; A74-I109 HydrophobicContact CB-CG2 4.29Å; A74-I109 PolarHBondContact N-O 2.77Å; A74-I109 VanDerWaalsContact N-O 3.16Å; A76-I109 HydrophobicContact CB-CB 4.4Å; A76-I109 HydrophobicContact CB-CD1 3.42Å; A76-I109 VanDerWaalsContact CB-CD1 3.42Å; A76-I109 HydrophobicContact CB-CG1 4.49Å; A76-I109 HydrophobicContact CB-CG2 4.34Å; I82-I109 HydrophobicContact CB-CD1 4.43Å; I82-I109 HydrophobicContact CD1-CD1 3.64Å; I82-I109 HydrophobicContact CG1-CD1 3.75Å; I82-I109 HydrophobicContact CG2-CD1 3.8Å; A102-I109 HydrophobicContact CB-CD1 4.05Å; A102-I109 HydrophobicContact CB-CG1 3.77Å; A102-I109 WeakPolarHBondContact O-CG1 3.19Å; A102-I109 PolarHBondContact O-N 2.88Å; Q104-I109 HydrophobicContact CB-CG2 4.17Å; Q104-I109 HydrophobicContact CG-CD1 4.32Å; V107-I109 PolarHBondContact O-N 3.2Å
110C98.6Very high97.1Very high4 Ų443 Ų433%0.02726%0.262CS..EExtended strand (participates in β ladder)trans-154.2143.5177.3171.80000110.2V47 Y71 F72 A102V47-C110 HydrophobicContact CG1-CB 3.9Å; Y71-C110 VanDerWaalsContact O-CA 3.24Å; Y71-C110 WeakPolarHBondContact O-CA 3.45Å; Y71-C110 PolarHBondContact O-SG 3.2Å; F72-C110 HydrophobicContact CD1-CB 4.3Å; A102-C110 HydrophobicContact CB-CB 4.03Å; A102-C110 PolarHBondContact N-O 2.96Å; A102-C110 PolarHBondContact O-N 2.86Å
111T98.7Very high96.6Very high26 Ų2649.2 Ų49.216%0.1630%0.3CS..EExtended strand (participates in β ladder)trans-119.6137.8167.351.90000109.1C70 Y71 I73 F99 I100 K101C70-T111 CarbonylContact C-O 3.59Å; C70-T111 WeakPolarHBondContact CA-O 3.31Å; C70-T111 WeakPolarHBondContact CB-O 3.2Å; Y71-T111 PolarHBondContact N-O 3.31Å; Y71-T111 PolarHBondContact O-N 3.27Å; Y71-T111 VanDerWaalsContact O-N 3.17Å; I73-T111 HydrophobicContact CD1-CG2 3.74Å; F99-T111 HydrophobicContact CZ-CG2 3.84Å; I100-T111 CarbonylContact O-C 3.52Å; I100-T111 WeakPolarHBondContact O-CA 3.19Å; K101-T111 HydrophobicContact CG-CG2 4.42Å
112C98.8Very high96.3Very high2 Ų253.2 Ų53.21%0.01432%0.323CS..EExtended strand (participates in β ladder)trans-135.2124.1-177.4-179.40000110.2H69 C70 F99 I100H69-C112 CarbonylContact O-C 3.55Å; H69-C112 WeakPolarHBondContact O-CA 3.24Å; C70-C112 HydrophobicContact CB-CB 3.71Å; F99-C112 CarbonylContact C-O 3.55Å; F99-C112 WeakPolarHBondContact CA-O 3.36Å; I100-C112 HydrophobicContact CB-CB 4.31Å; I100-C112 HydrophobicContact CD1-CB 4.47Å; I100-C112 WeakPolarHBondContact CD1-O 3.42Å; I100-C112 PolarHBondContact N-O 3.02Å; I100-C112 PolarHBondContact O-N 2.88Å
113D98.8Very high96.1Very high67 Ų6758.5 Ų58.536%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-96.6127.3166.9-155-73.5000108.5L68 H69 F99L68-D113 CarbonylContact C-O 3.56Å; L68-D113 VanDerWaalsContact CA-O 3.31Å; L68-D113 WeakPolarHBondContact CA-O 3.24Å; H69-D113 PolarHBondContact N-O 3.47Å; H69-D113 PolarHBondContact O-N 3.43Å; F99-D113 HydrophobicContact CD2-CB 4.36Å
114M98.8Very high96Very high0 Ų063.5 Ų63.50%039%0.386CS..EExtended strand (participates in β ladder)trans-129.5130.1-174.3-169.1171.6-59.100110.7M52 A55 P65 L68 N97 R98 I100 F116M52-M114 HydrophobicContact CB-CE 3.78Å; M52-M114 HydrophobicContact CB-SD 4.33Å; M52-M114 HydrophobicContact CG-CE 3.86Å; M52-M114 HydrophobicContact CG-SD 3.84Å; A55-M114 HydrophobicContact CB-CE 4.42Å; A55-M114 HydrophobicContact CB-SD 3.81Å; P65-M114 HydrophobicContact CB-CG 4.43Å; P65-M114 HydrophobicContact CB-SD 4.23Å; L68-M114 HydrophobicContact CB-CB 4.39Å; L68-M114 HydrophobicContact CB-CE 3.86Å; L68-M114 HydrophobicContact CB-CG 4.14Å; L68-M114 HydrophobicContact CD2-CE 3.7Å; L68-M114 HydrophobicContact CG-CE 4.45Å; N97-M114 WeakPolarHBondContact CA-O 3.25Å; R98-M114 PolarHBondContact N-O 3.18Å; R98-M114 PolarHBondContact O-N 2.83Å; I100-M114 HydrophobicContact CD1-CB 3.92Å; M114-F116 HydrophobicContact CB-CE2 4.04Å; M114-F116 HydrophobicContact CG-CD2 4.27Å; M114-F116 HydrophobicContact CG-CE2 3.59Å; M114-F116 HydrophobicContact CG-CZ 3.8Å; M114-F116 HydrophobicContact SD-CE1 4.13Å; M114-F116 HydrophobicContact SD-CE2 3.8Å; M114-F116 HydrophobicContact SD-CZ 3.37Å; M114-F116 WeakPolarHBondContact SD-CZ 3.37Å
115S98.8Very high95.9Very high16 Ų1667.4 Ų67.411%0.11241%0.41CS..EExtended strand (participates in β ladder)trans-114132.5179.7-163.50000110P65 H66 S67 N97P65-S115 WeakPolarHBondContact CA-O 3.45Å; H66-S115 VanDerWaalsContact CD2-C 3.49Å; H66-S115 PolarHBondContact CD2-O 3.42Å; H66-S115 PolarHBondContact CE1-OG 3.24Å; H66-S115 PolarHBondContact N-O 2.88Å; H66-S115 WeakPolarHBondContact NE2-CB 3.27Å; H66-S115 PolarHBondContact NE2-OG 2.86Å; S67-S115 PolarHBondContact N-O 2.76Å; S67-S115 PolarHBondContact O-N 3.46Å; N97-S115 PolarHBondContact ND2-OG 3.37Å
116F98.7Very high96.1Very high0 Ų068.9 Ų68.90%041%0.412CS..EExtended strand (participates in β ladder)trans-115.7143.1-179.1-60.2-103.9000109.8A55 M56 V59 F63 L64 P65 F95 S96 R98 M114A55-F116 HydrophobicContact CB-CE2 4.09Å; A55-F116 HydrophobicContact CB-CZ 3.68Å; M56-F116 HydrophobicContact CG-CE1 3.77Å; M56-F116 HydrophobicContact CG-CZ 4.35Å; V59-F116 HydrophobicContact CB-CD1 4.5Å; V59-F116 HydrophobicContact CG1-CB 4.37Å; V59-F116 HydrophobicContact CG1-CD1 4.39Å; V59-F116 HydrophobicContact CG1-CG 4.27Å; V59-F116 HydrophobicContact CG2-CD1 4.37Å; V59-F116 HydrophobicContact CG2-CD2 3.96Å; V59-F116 HydrophobicContact CG2-CE1 4.34Å; V59-F116 HydrophobicContact CG2-CE2 3.92Å; V59-F116 HydrophobicContact CG2-CG 4.2Å; V59-F116 HydrophobicContact CG2-CZ 4.12Å; F63-F116 HydrophobicContact CB-CB 3.94Å; F63-F116 HydrophobicContact CD1-CB 4.39Å; L64-F116 CarbonylContact O-C 3.46Å; L64-F116 VanDerWaalsContact O-CA 3.23Å; L64-F116 WeakPolarHBondContact O-CA 3.33Å; P65-F116 HydrophobicContact CB-CD1 4.18Å; P65-F116 HydrophobicContact CB-CE1 4.1Å; P65-F116 HydrophobicContact CG-CE1 4.5Å; F95-F116 CarbonylContact C-O 3.52Å; F95-F116 WeakPolarHBondContact CA-O 3.4Å; S96-F116 PolarHBondContact N-O 2.98Å; S96-F116 PolarHBondContact O-N 2.9Å; R98-F116 HydrophobicContact CB-CE2 4.13Å; R98-F116 HydrophobicContact CG-CD2 4.36Å; R98-F116 HydrophobicContact CG-CE2 3.75Å; M114-F116 HydrophobicContact CB-CE2 4.04Å; M114-F116 HydrophobicContact CG-CD2 4.27Å; M114-F116 HydrophobicContact CG-CE2 3.59Å; M114-F116 HydrophobicContact CG-CZ 3.8Å; M114-F116 HydrophobicContact SD-CE1 4.13Å; M114-F116 HydrophobicContact SD-CE2 3.8Å; M114-F116 HydrophobicContact SD-CZ 3.37Å; M114-F116 WeakPolarHBondContact SD-CZ 3.37Å
117Q98Very high96.2Very high70 Ų7069.1 Ų69.133%0.32740%0.395SS..EExtended strand (participates in β ladder)trans-123.7135.4179.8177.2168.6-2.600109.4F63 L64 H66 S94 F95F63-Q117 WeakPolarHBondContact CA-O 3.39Å; L64-Q117 PolarHBondContact N-O 2.99Å; L64-Q117 PolarHBondContact O-N 2.86Å; H66-Q117 HydrophobicContact CB-CB 4.28Å; S94-Q117 WeakPolarHBondContact O-CA 3.18Å; F95-Q117 HydrophobicContact CD1-CB 3.87Å; F95-Q117 HydrophobicContact CD1-CG 4.14Å; F95-Q117 HydrophobicContact CE1-CB 3.73Å; F95-Q117 HydrophobicContact CE1-CG 3.65Å; F95-Q117 HydrophobicContact CZ-CG 4.24Å
118R97Very high96.2Very high112 Ų11268.3 Ų68.342%0.42339%0.392SS..EExtended strand (participates in β ladder)trans-67.8140.6168-173.8-177.2-62-143.1-1.3109D62 F63 R93 S94 A120D62-R118 HydrophobicContact CB-CG 4.44Å; D62-R118 WeakPolarHBondContact O-CA 3.49Å; F63-R118 HydrophobicContact CD1-CB 4.03Å; F63-R118 VanDerWaalsContact CD1-N 3.33Å; F63-R118 HydrophobicContact CE1-CB 3.88Å; F63-R118 HydrophobicContact CE2-CB 4.43Å; F63-R118 HydrophobicContact CG-CB 4.39Å; F63-R118 HydrophobicContact CZ-CB 4.09Å; R93-R118 VanDerWaalsContact O-CZ 3.28Å; R93-R118 PolarHBondContact O-NE 3.19Å; R93-R118 PolarHBondContact O-NH2 2.98Å; S94-R118 PolarHBondContact O-N 3.37Å; R118-A120 PolarHBondContact O-N 2.79Å
119G90.7Very high96.2Very high66 Ų6672.6 Ų72.668%0.6841%0.412SS*.  trans-43.5131.1175.500000112.7D62D62-G119 PolarHBondContact O-N 3.36Å
120A87.7Confident96.3Very high73 Ų7374.1 Ų74.160%0.60342%0.42SS*.  trans-135.9156.2-176.700000109.9R118R118-A120 PolarHBondContact O-N 2.79Å
121T89.5Confident96.3Very high133 Ų13375.5 Ų75.582%0.81643%0.428SS*.  trans-83.6150.5171.8540000110.4S123T121-S123 PolarHBondContact O-N 3.45Å
122D91.3Very high96.2Very high124 Ų12483 Ų8366%0.66346%0.461SS*.  trans-58.8131.8174-67.3-16.9000111V125D122-V125 HydrophobicContact CB-CG2 3.69Å
123S95Very high96.2Very high113 Ų11384.5 Ų84.579%0.7947%0.47SS*.SBendtrans-105.3-39.4174.159.50000111.9T121T121-S123 PolarHBondContact O-N 3.45Å
124I96.1Very high96.2Very high140 Ų14084.4 Ų84.472%0.71847%0.473SS*.SBendtrans-143.3146.6173.557.2173.2000108.5
125V96Very high96.1Very high95 Ų9588.2 Ų88.258%0.57649%0.491SS*.  trans-139.9122.8-174.4-173.90000110.7D122D122-V125 HydrophobicContact CB-CG2 3.69Å
126H97.4Very high96.1Very high168 Ų16887.4 Ų87.478%0.77849%0.486SS*.  trans-156.9160.5165.367.5-79.9000109.1
127Q97.7Very high96Very high76 Ų7692 Ų9236%0.35551%0.507SS..  trans-154.7166.5170.556.9169.276.500109.8A285Q127-A285 PolarHBondContact NE2-O 2.83Å
128C97.7Very high96Very high63 Ų6393.6 Ų93.643%0.42652%0.521SS..PPolyproline II helixtrans-76.3169.616750.30000111.9W281C128-W281 HydrophobicContact CB-CH2 4.42Å; C128-W281 WeakPolarHBondContact O-CH2 3.38Å; C128-W281 WeakPolarHBondContact SG-CH2 3.23Å
129E98.2Very high96.1Very high172 Ų17289.5 Ų89.580%0.80451%0.508SS*.PPolyproline II helixtrans-82.6139.9177.1-64-172.8162.300111.4W281E129-W281 VanDerWaalsContact C-CH2 3.47Å; E129-W281 WeakPolarHBondContact O-CH2 3.27Å
130M98.5Very high96.2Very high37 Ų3792.5 Ų92.518%0.18250%0.499CS..PPolyproline II helixtrans-69.5139.2171.9-175.3177.272.800109.7L261 W281 A285M130-L261 HydrophobicContact CG-CD2 4.17Å; M130-L261 HydrophobicContact SD-CD2 4.23Å; M130-W281 HydrophobicContact CB-CD2 3.86Å; M130-W281 HydrophobicContact CB-CE3 3.67Å; M130-W281 HydrophobicContact CB-CG 4.33Å; M130-W281 HydrophobicContact CB-CH2 4.42Å; M130-W281 HydrophobicContact CB-CZ3 3.97Å; M130-W281 HydrophobicContact CG-CB 3.9Å; M130-W281 HydrophobicContact CG-CD2 3.75Å; M130-W281 HydrophobicContact CG-CE3 4.04Å; M130-W281 HydrophobicContact CG-CG 3.69Å; M130-W281 HydrophobicContact SD-CB 3.59Å; M130-W281 VanDerWaalsContact SD-CB 3.59Å; M130-W281 HydrophobicContact SD-CG 4.09Å; M130-A285 HydrophobicContact CB-CB 3.89Å; M130-A285 HydrophobicContact CE-CB 3.82Å; M130-A285 HydrophobicContact SD-CB 4.14Å
131P98.2Very high96.4Very high32 Ų3290.2 Ų90.221%0.20848%0.476CS..PPolyproline II helixtrans-63.7140.817525.7-34.7000112V133 L261 E263P131-V133 PolarHBondContact O-N 3.11Å; P131-L261 HydrophobicContact CG-CD2 4.11Å; P131-E263 HydrophobicContact CG-CG 4.29Å
132H97.9Very high96.2Very high184 Ų18484.2 Ų84.285%0.85244%0.439SS*.  trans-75.5114.4173.2-62.296.9000110.1
133V98.3Very high95.8Very high34 Ų3481.9 Ų81.921%0.20642%0.424CS..  trans-134.6160.7177.9-62.20000110P131 V178 M194 W196 L261P131-V133 PolarHBondContact O-N 3.11Å; V133-V178 HydrophobicContact CB-CG1 4.23Å; V133-V178 HydrophobicContact CB-CG2 4.05Å; V133-V178 HydrophobicContact CG1-CG1 4.31Å; V133-V178 HydrophobicContact CG1-CG2 4.33Å; V133-V178 HydrophobicContact CG2-CG2 4.25Å; V133-M194 HydrophobicContact CG1-CB 4.32Å; V133-M194 HydrophobicContact CG1-CG 4.32Å; V133-W196 HydrophobicContact CG2-CZ2 3.87Å; V133-L261 HydrophobicContact CG1-CD2 4.5Å; V133-L261 HydrophobicContact CG2-CD1 3.98Å; V133-L261 HydrophobicContact CG2-CD2 3.56Å; V133-L261 HydrophobicContact CG2-CG 4.42Å
134P98.4Very high95.3Very high64 Ų6481.4 Ų81.442%0.41641%0.409SS..  trans-55.5141.2171.4-24.234.2000112.1T138 L139 W196P134-T138 WeakPolarHBondContact CB-OG1 3.46Å; P134-L139 HydrophobicContact CB-CD2 4.08Å; P134-L139 HydrophobicContact CB-CG 4.34Å; P134-W196 PolarHBondContact O-NE1 2.84Å
135E98Very high94.7Very high80 Ų8074.7 Ų74.737%0.37438%0.375SS..  trans-59.2145.9175.4-72.9-66.412100111.4Q137 T138 R283E135-Q137 PolarHBondContact O-N 2.68Å; E135-Q137 VanDerWaalsContact O-N 3.12Å; E135-T138 HydrophobicContact CB-CG2 4.33Å; E135-T138 PolarHBondContact O-N 3.37Å; E135-T138 PolarHBondContact O-OG1 3.29Å; E135-R283 IonicContact OE2-CZ 2.79Å; E135-R283 IonicContact OE2-NE 2.71Å; E135-R283 PolarHBondContact OE2-NE 2.92Å; E135-R283 IonicContact OE2-NH2 3.95Å; E135-R283 PolarHBondContact OE2-NH2 3.5Å
136P98.2Very high93.8Very high0 Ų078 Ų780%038%0.377CS..G310 helixtrans-58.7-32.5-175.219.5-28.4000113T138 L139 R176 W196 W259P136-T138 PolarHBondContact O-N 2.85Å; P136-L139 PolarHBondContact O-N 2.79Å; P136-L139 VanDerWaalsContact O-N 3.15Å; P136-R176 WeakPolarHBondContact O-CD 3.3Å; P136-R176 PolarHBondContact O-NH1 3.1Å; P136-W196 HydrophobicContact CB-CB 3.91Å; P136-W196 HydrophobicContact CB-CD2 3.98Å; P136-W196 HydrophobicContact CB-CE3 4.49Å; P136-W196 HydrophobicContact CB-CG 3.71Å; P136-W196 HydrophobicContact CG-CD2 3.99Å; P136-W196 HydrophobicContact CG-CE3 4.18Å; P136-W196 HydrophobicContact CG-CG 4.27Å; P136-W259 HydrophobicContact CB-CD2 3.57Å; P136-W259 HydrophobicContact CB-CE3 3.75Å; P136-W259 HydrophobicContact CB-CG 4.14Å; P136-W259 HydrophobicContact CB-CH2 4.06Å; P136-W259 HydrophobicContact CB-CZ2 3.9Å; P136-W259 HydrophobicContact CB-CZ3 3.99Å; P136-W259 HydrophobicContact CG-CB 4.17Å; P136-W259 HydrophobicContact CG-CD2 3.59Å; P136-W259 HydrophobicContact CG-CE3 4.16Å; P136-W259 HydrophobicContact CG-CG 3.58Å
137Q97.2Very high92.5Very high96 Ų9674.9 Ų74.945%0.44937%0.374SS..G310 helixtrans-65.5-21.5178.7-63.381.11.400113.3E135E135-Q137 PolarHBondContact O-N 2.68Å; E135-Q137 VanDerWaalsContact O-N 3.12Å
138T97.8Very high91.1Very high103 Ų10372.9 Ų72.963%0.63237%0.369SS*.G310 helixtrans-88.4-8.1178.968.80000113.1P134 E135 P136P134-T138 WeakPolarHBondContact CB-OG1 3.46Å; E135-T138 HydrophobicContact CB-CG2 4.33Å; E135-T138 PolarHBondContact O-N 3.37Å; E135-T138 PolarHBondContact O-OG1 3.29Å; P136-T138 PolarHBondContact O-N 2.85Å
139L97.3Very high89.3Confident27 Ų2775.4 Ų75.414%0.14139%0.387CS..SBendtrans-104150-176.6-60.9172000110.4P134 P136 R176 V178P134-L139 HydrophobicContact CB-CD2 4.08Å; P134-L139 HydrophobicContact CB-CG 4.34Å; P136-L139 PolarHBondContact O-N 2.79Å; P136-L139 VanDerWaalsContact O-N 3.15Å; L139-R176 HydrophobicContact CB-CB 3.99Å; L139-R176 HydrophobicContact CD1-CB 4.44Å; L139-R176 PolarHBondContact O-NH1 3.01Å; L139-V178 HydrophobicContact CD1-CG2 4.06Å
140R93.7Very high87.7Confident129 Ų12973.2 Ų73.249%0.48738%0.381SS..  trans-78.4144.2171.5-65.6-173.1-68.8167.5-1.6110.4E144 L145R140-E144 HydrophobicContact CB-CB 4.46Å; R140-E144 WeakPolarHBondContact CB-OE2 3.44Å; R140-E144 WeakPolarHBondContact CG-OE2 3.44Å; R140-L145 HydrophobicContact CB-CD2 4.11Å; R140-L145 HydrophobicContact CB-CG 4Å; R140-L145 VanDerWaalsContact CZ-CD2 3.41Å; R140-L145 VanDerWaalsContact NH2-CD2 3.33Å
141D91.2Very high86.3Confident24 Ų2472.7 Ų72.713%0.12838%0.379CS..  trans-78.7165172.171.451.6000112.3E143 E144 L145 D174 V175 R176D141-E143 PolarHBondContact O-N 2.7Å; D141-E143 VanDerWaalsContact OD1-CA 3.3Å; D141-E143 WeakPolarHBondContact OD1-CA 3.14Å; D141-E143 VanDerWaalsContact OD1-CB 3.29Å; D141-E143 WeakPolarHBondContact OD1-CB 3.07Å; D141-E143 PolarHBondContact OD1-N 3.13Å; D141-E144 PolarHBondContact O-N 3.1Å; D141-E144 PolarHBondContact OD1-N 2.82Å; D141-L145 WeakPolarHBondContact O-CB 3.44Å; D141-L145 WeakPolarHBondContact O-CG 3.15Å; D141-L145 PolarHBondContact O-N 2.81Å; D141-D174 WeakPolarHBondContact CB-OD1 3.26Å; D141-V175 CarbonylContact C-O 3.53Å; D141-V175 VanDerWaalsContact CA-O 3.3Å; D141-V175 WeakPolarHBondContact CA-O 3.38Å; D141-R176 HydrophobicContact CB-CG 4.16Å
142I85.7Confident84.8Confident7 Ų774.2 Ų74.24%0.03639%0.39CS..Hα-helixtrans-66.8-21.9-179.360.3172.9000114R146 P170 V175 P177 F183I142-R146 WeakPolarHBondContact O-CB 3.49Å; I142-R146 PolarHBondContact O-N 3.28Å; I142-P170 HydrophobicContact CD1-CB 3.59Å; I142-P170 HydrophobicContact CD1-CG 3.79Å; I142-P170 HydrophobicContact CG1-CB 3.93Å; I142-V175 HydrophobicContact CD1-CB 3.7Å; I142-V175 HydrophobicContact CD1-CG1 4.18Å; I142-V175 HydrophobicContact CD1-CG2 3.98Å; I142-V175 HydrophobicContact CG1-CB 3.91Å; I142-V175 HydrophobicContact CG2-CB 4.02Å; I142-V175 HydrophobicContact CG2-CG1 3.82Å; I142-V175 WeakPolarHBondContact CG2-O 3.35Å; I142-V175 PolarHBondContact N-O 3.13Å; I142-P177 HydrophobicContact CG2-CG 3.76Å; I142-F183 HydrophobicContact CB-CE1 4.38Å; I142-F183 HydrophobicContact CB-CZ 4.44Å; I142-F183 HydrophobicContact CG2-CD1 4.37Å; I142-F183 HydrophobicContact CG2-CE1 3.6Å; I142-F183 HydrophobicContact CG2-CE2 4.24Å; I142-F183 HydrophobicContact CG2-CZ 3.51Å
143E82.4Confident83.5Confident76 Ų7666.7 Ų66.736%0.35536%0.356SS..Hα-helixtrans-73.6-47177.1-61.9178.5142.700109.8D141 R146 S147 P170 K200D141-E143 PolarHBondContact O-N 2.7Å; D141-E143 VanDerWaalsContact OD1-CA 3.3Å; D141-E143 WeakPolarHBondContact OD1-CA 3.14Å; D141-E143 VanDerWaalsContact OD1-CB 3.29Å; D141-E143 WeakPolarHBondContact OD1-CB 3.07Å; D141-E143 PolarHBondContact OD1-N 3.13Å; E143-R146 PolarHBondContact O-N 2.84Å; E143-S147 PolarHBondContact O-N 3.17Å; E143-P170 HydrophobicContact CG-CB 3.76Å; E143-K200 IonicContact OE1-NZ 3.08Å; E143-K200 PolarHBondContact OE1-NZ 3.08Å; E143-K200 IonicContact OE2-NZ 3.67Å; E143-K200 PolarHBondContact OE2-NZ 2.91Å
144E85.6Confident81.9Confident102 Ų10266.9 Ų66.948%0.47736%0.358SS..Hα-helixtrans-59.3-46.9170.8-69.4-178.9173.600111.1R140 D141 R146 S147R140-E144 HydrophobicContact CB-CB 4.46Å; R140-E144 WeakPolarHBondContact CB-OE2 3.44Å; R140-E144 WeakPolarHBondContact CG-OE2 3.44Å; D141-E144 PolarHBondContact O-N 3.1Å; D141-E144 PolarHBondContact OD1-N 2.82Å; E144-R146 PolarHBondContact O-N 3.31Å; E144-S147 PolarHBondContact O-N 2.84Å; E144-S147 PolarHBondContact O-OG 3.1Å
145L83.8Confident80.3Confident0 Ų066.2 Ų66.20%035%0.351CS..Hα-helixtrans-61.9-42179.2-72.3169.3000112.1R140 D141 S147 S148 N151 P177 P180 Y184R140-L145 HydrophobicContact CB-CD2 4.11Å; R140-L145 HydrophobicContact CB-CG 4Å; R140-L145 VanDerWaalsContact CZ-CD2 3.41Å; R140-L145 VanDerWaalsContact NH2-CD2 3.33Å; D141-L145 WeakPolarHBondContact O-CB 3.44Å; D141-L145 WeakPolarHBondContact O-CG 3.15Å; D141-L145 PolarHBondContact O-N 2.81Å; L145-S147 PolarHBondContact O-N 3.47Å; L145-S148 PolarHBondContact O-N 3.17Å; L145-S148 VanDerWaalsContact O-N 3.16Å; L145-S148 PolarHBondContact O-OG 3.25Å; L145-N151 WeakPolarHBondContact O-CB 3.24Å; L145-N151 PolarHBondContact O-ND2 2.96Å; L145-P177 HydrophobicContact CD1-CB 4.48Å; L145-P177 HydrophobicContact CD1-CG 3.94Å; L145-P180 HydrophobicContact CD1-CB 4.02Å; L145-P180 HydrophobicContact CD1-CG 3.97Å; L145-P180 HydrophobicContact CD2-CB 3.91Å; L145-P180 HydrophobicContact CD2-CG 3.89Å; L145-Y184 HydrophobicContact CB-CE2 4.07Å; L145-Y184 WeakPolarHBondContact CB-OH 3.44Å
146R75.6Confident78.6Confident163 Ų16366 Ų6662%0.61535%0.347SS*.Hα-helixtrans-64.5-27179.7-173175.665.1148.80.2112.8I142 E143 E144 S148 Y184I142-R146 WeakPolarHBondContact O-CB 3.49Å; I142-R146 PolarHBondContact O-N 3.28Å; E143-R146 PolarHBondContact O-N 2.84Å; E144-R146 PolarHBondContact O-N 3.31Å; R146-S148 PolarHBondContact O-N 2.87Å; R146-Y184 PolarHBondContact N-OH 3.2Å
147S72Confident76.4Confident103 Ų10374.6 Ų74.672%0.7238%0.379SS*.Hα-helixtrans-70.1-18.7177.376.20000113.8E143 E144 L145E143-S147 PolarHBondContact O-N 3.17Å; E144-S147 PolarHBondContact O-N 2.84Å; E144-S147 PolarHBondContact O-OG 3.1Å; L145-S147 PolarHBondContact O-N 3.47Å
148S68.5Low74.2Confident34 Ų3477.1 Ų77.124%0.23840%0.396CS..SBendtrans-83.8127.9174.664.70000111.4L145 R146 D150 N151L145-S148 PolarHBondContact O-N 3.17Å; L145-S148 VanDerWaalsContact O-N 3.16Å; L145-S148 PolarHBondContact O-OG 3.25Å; R146-S148 PolarHBondContact O-N 2.87Å; S148-D150 PolarHBondContact O-N 3.39Å; S148-N151 PolarHBondContact O-N 3.27Å; S148-N151 PolarHBondContact OG-ND2 3.33Å
149S58.1Low72Confident116 Ų11674.9 Ų74.981%0.81138%0.384SS*.THydrogen-bonded Turntrans-57.5-19-176.1500000114.7
150D65.4Low69.4Low126 Ų12683 Ų8367%0.67442%0.421SS*.THydrogen-bonded Turntrans-80.9-16.5-175.8-62.2-18.9000112.8S148 C152 Q186S148-D150 PolarHBondContact O-N 3.39Å; D150-C152 VanDerWaalsContact C-N 3.35Å; D150-C152 PolarHBondContact O-N 3.23Å; D150-C152 VanDerWaalsContact O-N 3.09Å; D150-Q186 PolarHBondContact O-NE2 3.42Å
151N68.6Low66.9Low26 Ų2682.9 Ų82.914%0.13943%0.43CS..  trans-91.360.3-172.9-75.5-22.2000113.5L145 S148 Y184 Q186L145-N151 WeakPolarHBondContact O-CB 3.24Å; L145-N151 PolarHBondContact O-ND2 2.96Å; S148-N151 PolarHBondContact O-N 3.27Å; S148-N151 PolarHBondContact OG-ND2 3.33Å; N151-Y184 HydrophobicContact CB-CD1 4.4Å; N151-Y184 HydrophobicContact CB-CD2 3.74Å; N151-Y184 HydrophobicContact CB-CE1 4.15Å; N151-Y184 HydrophobicContact CB-CE2 3.48Å; N151-Y184 VanDerWaalsContact CB-CE2 3.48Å; N151-Y184 HydrophobicContact CB-CG 4.22Å; N151-Q186 PolarHBondContact OD1-NE2 2.78Å
152C66.4Low64.7Low65 Ų6583 Ų8344%0.43943%0.432SS..  trans-96.4140.4168.173.10000111D150 P154D150-C152 VanDerWaalsContact C-N 3.35Å; D150-C152 PolarHBondContact O-N 3.23Å; D150-C152 VanDerWaalsContact O-N 3.09Å; C152-P154 WeakPolarHBondContact O-CD 3.36Å
153N71.7Confident63.1Low26 Ų2686 Ų8614%0.13945%0.451CS..  trans-87.3112.7167.1-172.2-40.5000109.3L155 Y156 R157 Y184N153-L155 PolarHBondContact O-N 3.41Å; N153-L155 VanDerWaalsContact O-N 3.12Å; N153-L155 VanDerWaalsContact OD1-CB 3.3Å; N153-L155 WeakPolarHBondContact OD1-CB 3.28Å; N153-L155 PolarHBondContact OD1-N 3.46Å; N153-Y156 HydrophobicContact CB-CD2 3.87Å; N153-Y156 VanDerWaalsContact ND2-CD2 3.29Å; N153-Y156 WeakPolarHBondContact ND2-CD2 3.45Å; N153-Y156 WeakPolarHBondContact ND2-CE2 3.12Å; N153-Y156 CarbonylContact O-C 3.43Å; N153-Y156 PolarHBondContact O-N 2.92Å; N153-R157 PolarHBondContact O-N 2.7Å; N153-Y184 WeakPolarHBondContact CA-O 3.31Å; N153-Y184 VanDerWaalsContact CB-O 3.27Å; N153-Y184 WeakPolarHBondContact CB-O 3.36Å; N153-Y184 PolarHBondContact ND2-O 2.92Å; N153-Y184 PolarHBondContact OD1-O 2.96Å
154P65.4Low62.1Low37 Ų3782.7 Ų82.724%0.2444%0.436CS..THydrogen-bonded Turntrans-62.3-21.8-17626.2-34.5000113.4C152 L185C152-P154 WeakPolarHBondContact O-CD 3.36Å; P154-L185 VanDerWaalsContact CD-O 3.23Å; P154-L185 WeakPolarHBondContact CD-O 3.37Å; P154-L185 WeakPolarHBondContact CG-O 3.49Å
155L64Low61.1Low51 Ų5178.7 Ų78.727%0.26742%0.418SS..THydrogen-bonded Turntrans-78.6-18.5176.5-59.3177.3000112.9N153 L185 L227 L237N153-L155 PolarHBondContact O-N 3.41Å; N153-L155 VanDerWaalsContact O-N 3.12Å; N153-L155 VanDerWaalsContact OD1-CB 3.3Å; N153-L155 WeakPolarHBondContact OD1-CB 3.28Å; N153-L155 PolarHBondContact OD1-N 3.46Å; L155-L185 HydrophobicContact CD1-CB 4.39Å; L155-L185 HydrophobicContact CD1-CD1 3.71Å; L155-L227 HydrophobicContact CD1-CD1 4.27Å; L155-L237 HydrophobicContact CD2-CB 4.45Å
156Y61.8Low60.2Low76 Ų7682.7 Ų82.730%0.29844%0.438SS..SBendtrans-124.422.8-175.4-53.1-66.4000113.5N153 N158 C159N153-Y156 HydrophobicContact CB-CD2 3.87Å; N153-Y156 VanDerWaalsContact ND2-CD2 3.29Å; N153-Y156 WeakPolarHBondContact ND2-CD2 3.45Å; N153-Y156 WeakPolarHBondContact ND2-CE2 3.12Å; N153-Y156 CarbonylContact O-C 3.43Å; N153-Y156 PolarHBondContact O-N 2.92Å; Y156-N158 PolarHBondContact O-N 2.72Å; Y156-C159 PolarHBondContact O-N 2.99Å; Y156-C159 PolarHBondContact O-SG 2.75Å
157R53.3Low59.5Low179 Ų17977.1 Ų77.168%0.67542%0.422SS*.THydrogen-bonded Turntrans-52.9-20.4-169.7-77.2-178.8-178.9154.91.3117.1N153N153-R157 PolarHBondContact O-N 2.7Å
158N51.2Low59.3Low150 Ų15074.2 Ų74.280%0.80240%0.396SS*.THydrogen-bonded Turntrans-98.512.8-171.3-68.3-8.5000114.3Y156 Q160Y156-N158 PolarHBondContact O-N 2.72Å; N158-Q160 PolarHBondContact O-N 2.93Å
159C51.2Low59.6Low55 Ų5572.7 Ų72.737%0.37239%0.385SS..  trans-94.294.2-175.6-62.20000111.2P37 Y156P37-C159 HydrophobicContact CB-CB 3.84Å; P37-C159 HydrophobicContact CG-CB 3.82Å; Y156-C159 PolarHBondContact O-N 2.99Å; Y156-C159 PolarHBondContact O-SG 2.75Å
160Q42.9Very low60.3Low197 Ų19767.5 Ų67.592%0.92135%0.348SS*.  trans-93.8-16.3179.2-71.1-172.33.800114.1N158N158-Q160 PolarHBondContact O-N 2.93Å
161D40.7Very low61Low127 Ų12765.6 Ų65.668%0.67934%0.337SS*.  trans-131.3170-169.9-142.2-21.2000112P37P37-D161 WeakPolarHBondContact CB-O 3.37Å
162S45.5Very low61.8Low26 Ų2664.6 Ų64.618%0.18233%0.332CS..  trans88.6137.3156.780.60000120.1P37 D38 C164P37-S162 WeakPolarHBondContact CA-OG 3.18Å; P37-S162 WeakPolarHBondContact CB-OG 3.12Å; D38-S162 PolarHBondContact N-OG 3.14Å; S162-C164 PolarHBondContact O-N 2.99Å
163T50.6Low63.1Low70 Ų7061.6 Ų61.643%0.42931%0.311SS..  trans-57.565.2174.757.40000113Y168T163-Y168 VanDerWaalsContact O-CE2 3.24Å; T163-Y168 WeakPolarHBondContact O-CE2 3.46Å
164C62.9Low64.2Low7 Ų761.4 Ų61.45%0.04731%0.31CS..BIsolated β-bridgetrans-91.3174.2177.864.20000111.7A34 P37 S162 M166 T167 Y168A34-C164 CarbonylContact O-C 3.54Å; A34-C164 VanDerWaalsContact O-CA 3.27Å; A34-C164 WeakPolarHBondContact O-CA 3.43Å; P37-C164 VanDerWaalsContact CD-CB 3.48Å; P37-C164 HydrophobicContact CG-CB 3.76Å; P37-C164 VanDerWaalsContact CG-SG 3.56Å; S162-C164 PolarHBondContact O-N 2.99Å; C164-M166 PolarHBondContact O-N 3.38Å; C164-T167 WeakPolarHBondContact O-CA 3.31Å; C164-T167 VanDerWaalsContact O-CB 3.27Å; C164-T167 WeakPolarHBondContact O-CB 3.18Å; C164-T167 PolarHBondContact O-N 2.91Å; C164-Y168 WeakPolarHBondContact O-CD2 3.22Å; C164-Y168 PolarHBondContact O-N 2.85Å
165L64.4Low65.6Low19 Ų1959.7 Ų59.710%0.09930%0.299CS..Hα-helixtrans-53.1-38175.3179.567.4000111.8I33 A34 A35 Y43 T167 Y168 L169 F216I33-L165 HydrophobicContact CD1-CD1 3.97Å; A34-L165 PolarHBondContact O-N 2.9Å; A35-L165 WeakPolarHBondContact O-CB 3.48Å; A35-L165 PolarHBondContact O-N 2.88Å; Y43-L165 HydrophobicContact CD1-CD1 3.62Å; Y43-L165 HydrophobicContact CD1-CD2 4.31Å; Y43-L165 HydrophobicContact CD2-CD1 4.45Å; Y43-L165 HydrophobicContact CD2-CD2 3.65Å; Y43-L165 HydrophobicContact CE1-CD1 3.61Å; Y43-L165 HydrophobicContact CE1-CD2 4.1Å; Y43-L165 HydrophobicContact CE1-CG 4.5Å; Y43-L165 HydrophobicContact CE2-CD1 4.47Å; Y43-L165 HydrophobicContact CE2-CD2 3.44Å; Y43-L165 VanDerWaalsContact CE2-CD2 3.44Å; Y43-L165 HydrophobicContact CG-CD1 4.04Å; Y43-L165 HydrophobicContact CG-CD2 4.08Å; Y43-L165 HydrophobicContact CG-CG 4.49Å; L165-T167 PolarHBondContact O-N 3.2Å; L165-T167 VanDerWaalsContact O-N 3.11Å; L165-Y168 PolarHBondContact O-N 2.81Å; L165-Y168 VanDerWaalsContact O-N 3.16Å; L165-L169 HydrophobicContact CD1-CB 4.19Å; L165-L169 HydrophobicContact CG-CB 4.37Å; L165-L169 WeakPolarHBondContact O-CB 3.45Å; L165-L169 PolarHBondContact O-N 2.76Å; L165-F216 HydrophobicContact CD1-CE1 4.39Å; L165-F216 HydrophobicContact CD1-CZ 3.86Å
166M63.7Low67.1Low84 Ų8459.4 Ų59.441%0.41429%0.294SS..Hα-helixtrans-67.1-8.6176-65.7-62.2-61.500114C164 P170 F183C164-M166 PolarHBondContact O-N 3.38Å; M166-P170 VanDerWaalsContact O-CD 3.24Å; M166-P170 WeakPolarHBondContact O-CD 3.39Å; M166-P170 WeakPolarHBondContact O-CG 3.48Å; M166-F183 HydrophobicContact CE-CE1 3.94Å; M166-F183 HydrophobicContact CE-CZ 3.7Å; M166-F183 HydrophobicContact SD-CZ 4.49Å
167T61Low68.7Low45 Ų4555.8 Ų55.828%0.27628%0.28SS..Hα-helixtrans-96-46.4167.7-52.50000110.6C164 L165 P170 M171C164-T167 WeakPolarHBondContact O-CA 3.31Å; C164-T167 VanDerWaalsContact O-CB 3.27Å; C164-T167 WeakPolarHBondContact O-CB 3.18Å; C164-T167 PolarHBondContact O-N 2.91Å; L165-T167 PolarHBondContact O-N 3.2Å; L165-T167 VanDerWaalsContact O-N 3.11Å; T167-P170 WeakPolarHBondContact O-CD 3.27Å; T167-P170 WeakPolarHBondContact O-CG 3.27Å; T167-M171 HydrophobicContact CG2-CE 4.16Å; T167-M171 HydrophobicContact CG2-SD 4.47Å; T167-M171 VanDerWaalsContact O-CG 3.27Å; T167-M171 WeakPolarHBondContact O-CG 3.31Å; T167-M171 PolarHBondContact O-N 2.94Å
168Y67.3Low70.8Confident42 Ų4249 Ų4917%0.16526%0.258CS..Hα-helixtrans-72.8-39.5-175.1-79.5-67.8000114.6T15 F16 I33 T163 C164 L165 M171 S172T15-Y168 HydrophobicContact CG2-CD1 4.45Å; T15-Y168 HydrophobicContact CG2-CE1 4.2Å; F16-Y168 HydrophobicContact CE1-CD1 4.33Å; F16-Y168 HydrophobicContact CE1-CG 4.21Å; F16-Y168 AromaticContact CZ-CD1 3.66Å; F16-Y168 HydrophobicContact CZ-CD1 3.66Å; F16-Y168 AromaticContact CZ-CG 3.85Å; F16-Y168 HydrophobicContact CZ-CG 3.85Å; I33-Y168 HydrophobicContact CB-CD2 3.77Å; I33-Y168 HydrophobicContact CB-CE2 3.76Å; I33-Y168 HydrophobicContact CD1-CD2 4.13Å; I33-Y168 HydrophobicContact CD1-CG 4.44Å; I33-Y168 HydrophobicContact CG2-CD1 4.31Å; I33-Y168 HydrophobicContact CG2-CD2 3.55Å; I33-Y168 HydrophobicContact CG2-CE1 4.12Å; I33-Y168 HydrophobicContact CG2-CE2 3.28Å; I33-Y168 HydrophobicContact CG2-CG 4.05Å; T163-Y168 VanDerWaalsContact O-CE2 3.24Å; T163-Y168 WeakPolarHBondContact O-CE2 3.46Å; C164-Y168 WeakPolarHBondContact O-CD2 3.22Å; C164-Y168 PolarHBondContact O-N 2.85Å; L165-Y168 PolarHBondContact O-N 2.81Å; L165-Y168 VanDerWaalsContact O-N 3.16Å; Y168-M171 HydrophobicContact CD1-CE 3.33Å; Y168-M171 HydrophobicContact CE1-CE 3.67Å; Y168-M171 HydrophobicContact CG-CE 4.06Å; Y168-M171 PolarHBondContact O-N 2.92Å; Y168-S172 PolarHBondContact O-N 2.97Å; Y168-S172 VanDerWaalsContact O-N 3.1Å; Y168-S172 PolarHBondContact O-OG 3.05Å
169L76.6Confident72.9Confident2 Ų244.7 Ų44.71%0.0124%0.236CC..Hα-helixtrans-59.7-53.6177.7-169.972.6000110.5L165 M171 S172 F173 V175 F216 F221L165-L169 HydrophobicContact CD1-CB 4.19Å; L165-L169 HydrophobicContact CG-CB 4.37Å; L165-L169 WeakPolarHBondContact O-CB 3.45Å; L165-L169 PolarHBondContact O-N 2.76Å; L169-M171 VanDerWaalsContact C-N 3.29Å; L169-M171 PolarHBondContact O-N 2.92Å; L169-S172 PolarHBondContact O-N 3.44Å; L169-F173 HydrophobicContact CD1-CB 4.33Å; L169-F173 HydrophobicContact CD1-CD2 3.81Å; L169-F173 HydrophobicContact CD1-CE2 4.47Å; L169-F173 HydrophobicContact CD1-CG 4.24Å; L169-F173 WeakPolarHBondContact O-CA 3.42Å; L169-F173 WeakPolarHBondContact O-CB 3.37Å; L169-F173 PolarHBondContact O-N 3.46Å; L169-V175 HydrophobicContact CD2-CG2 3.94Å; L169-V175 HydrophobicContact CG-CG2 3.88Å; L169-F216 HydrophobicContact CD1-CE1 4.15Å; L169-F221 HydrophobicContact CD2-CE1 4.19Å; L169-F221 HydrophobicContact CD2-CZ 4.07Å
170P72.1Confident74.8Confident7 Ų743.7 Ų43.75%0.04523%0.228CC..Hα-helixtrans-62.8-31.6174.914.3-22.6000113.7I142 E143 M166 T167 S172 F173 K200I142-P170 HydrophobicContact CD1-CB 3.59Å; I142-P170 HydrophobicContact CD1-CG 3.79Å; I142-P170 HydrophobicContact CG1-CB 3.93Å; E143-P170 HydrophobicContact CG-CB 3.76Å; M166-P170 VanDerWaalsContact O-CD 3.24Å; M166-P170 WeakPolarHBondContact O-CD 3.39Å; M166-P170 WeakPolarHBondContact O-CG 3.48Å; T167-P170 WeakPolarHBondContact O-CD 3.27Å; T167-P170 WeakPolarHBondContact O-CG 3.27Å; P170-S172 VanDerWaalsContact C-N 3.27Å; P170-S172 PolarHBondContact O-N 2.92Å; P170-F173 WeakPolarHBondContact CA-O 2.98Å; P170-K200 WeakPolarHBondContact O-CE 3.46Å; P170-K200 PolarHBondContact O-NZ 3.09Å
171M78.9Confident77Confident87 Ų8738.9 Ų38.943%0.42920%0.204SC..Hα-helixtrans-63.5-36176.6-76.3-168.3-54.500112.2L8 T167 Y168 L169L8-M171 WeakPolarHBondContact CD1-O 3.33Å; L8-M171 WeakPolarHBondContact CD2-O 3.25Å; T167-M171 HydrophobicContact CG2-CE 4.16Å; T167-M171 HydrophobicContact CG2-SD 4.47Å; T167-M171 VanDerWaalsContact O-CG 3.27Å; T167-M171 WeakPolarHBondContact O-CG 3.31Å; T167-M171 PolarHBondContact O-N 2.94Å; Y168-M171 HydrophobicContact CD1-CE 3.33Å; Y168-M171 HydrophobicContact CE1-CE 3.67Å; Y168-M171 HydrophobicContact CG-CE 4.06Å; Y168-M171 PolarHBondContact O-N 2.92Å; L169-M171 VanDerWaalsContact C-N 3.29Å; L169-M171 PolarHBondContact O-N 2.92Å
172S87.1Confident79.5Confident5 Ų534 Ų344%0.03518%0.177CC..Hα-helixtrans-99.5-33.3-173.9-57.30000113.8Y168 L169 P170 F199 K200Y168-S172 PolarHBondContact O-N 2.97Å; Y168-S172 VanDerWaalsContact O-N 3.1Å; Y168-S172 PolarHBondContact O-OG 3.05Å; L169-S172 PolarHBondContact O-N 3.44Å; P170-S172 VanDerWaalsContact C-N 3.27Å; P170-S172 PolarHBondContact O-N 2.92Å; S172-F199 VanDerWaalsContact O-CD2 3.28Å; S172-F199 WeakPolarHBondContact O-CD2 3.39Å; S172-K200 PolarHBondContact O-N 3.45Å
173F93.1Very high81.6Confident1 Ų133.7 Ų33.70%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-121.9137.6-173.7-65.9-95.5000110.8F12 L169 P170 V175 K198 F199 F216 V217F12-F173 HydrophobicContact CD2-CE2 4.18Å; F12-F173 AromaticContact CE2-CE2 3.6Å; F12-F173 HydrophobicContact CE2-CE2 3.6Å; F12-F173 HydrophobicContact CE2-CZ 4Å; F12-F173 HydrophobicContact CZ-CE2 4.23Å; F12-F173 HydrophobicContact CZ-CZ 4.18Å; L169-F173 HydrophobicContact CD1-CB 4.33Å; L169-F173 HydrophobicContact CD1-CD2 3.81Å; L169-F173 HydrophobicContact CD1-CE2 4.47Å; L169-F173 HydrophobicContact CD1-CG 4.24Å; L169-F173 WeakPolarHBondContact O-CA 3.42Å; L169-F173 WeakPolarHBondContact O-CB 3.37Å; L169-F173 PolarHBondContact O-N 3.46Å; P170-F173 WeakPolarHBondContact CA-O 2.98Å; F173-V175 HydrophobicContact CB-CG2 4Å; F173-K198 CarbonylContact C-O 3.56Å; F173-K198 VanDerWaalsContact CA-O 3.24Å; F173-K198 WeakPolarHBondContact CA-O 3.24Å; F173-F199 HydrophobicContact CD1-CB 4.16Å; F173-F199 HydrophobicContact CD1-CD2 4.2Å; F173-F199 HydrophobicContact CD2-CD2 4.34Å; F173-F199 HydrophobicContact CE1-CB 3.96Å; F173-F199 AromaticContact CE1-CD2 3.82Å; F173-F199 HydrophobicContact CE1-CD2 3.82Å; F173-F199 HydrophobicContact CE1-CG 4.39Å; F173-F199 AromaticContact CE2-CD2 3.98Å; F173-F199 HydrophobicContact CE2-CD2 3.98Å; F173-F199 HydrophobicContact CE2-CE2 4.43Å; F173-F199 HydrophobicContact CG-CD2 4.44Å; F173-F199 AromaticContact CZ-CD2 3.7Å; F173-F199 HydrophobicContact CZ-CD2 3.7Å; F173-F199 HydrophobicContact CZ-CE2 4.45Å; F173-F216 HydrophobicContact CE2-CD1 4.09Å; F173-F216 HydrophobicContact CE2-CE1 4.12Å; F173-V217 HydrophobicContact CD1-CG2 4.03Å; F173-V217 HydrophobicContact CD2-CG2 4.42Å; F173-V217 HydrophobicContact CE1-CG2 3.49Å; F173-V217 VanDerWaalsContact CE1-CG2 3.49Å; F173-V217 HydrophobicContact CE2-CG2 3.91Å; F173-V217 HydrophobicContact CG-CG2 4.49Å; F173-V217 HydrophobicContact CZ-CG2 3.41Å; F173-V217 VanDerWaalsContact CZ-CG2 3.41Å
174D94.8Very high83.3Confident22 Ų2231.2 Ų31.212%0.11816%0.155CC..EExtended strand (participates in β ladder)trans-75.3120.4159.4-170.4-22.9000106.8D141 R176 V197 K198 K200 W259D141-D174 WeakPolarHBondContact CB-OD1 3.26Å; D174-R176 WeakPolarHBondContact OD1-CG 3.29Å; D174-R176 IonicContact OD1-CZ 2.93Å; D174-R176 IonicContact OD1-NE 3.27Å; D174-R176 PolarHBondContact OD1-NE 2.9Å; D174-R176 IonicContact OD1-NH2 3.52Å; D174-R176 IonicContact OD2-CZ 3.53Å; D174-R176 IonicContact OD2-NE 3Å; D174-R176 PolarHBondContact OD2-NE 2.86Å; D174-R176 IonicContact OD2-NH2 3.53Å; D174-R176 PolarHBondContact OD2-NH2 3.26Å; D174-V197 CarbonylContact O-C 3.54Å; D174-V197 WeakPolarHBondContact O-CA 3.16Å; D174-K198 PolarHBondContact N-O 3.33Å; D174-K198 PolarHBondContact O-N 2.8Å; D174-K200 HydrophobicContact CB-CG 4.2Å; D174-W259 HydrophobicContact CB-CH2 3.85Å; D174-W259 WeakPolarHBondContact OD1-CH2 3.42Å
175V94.4Very high84.4Confident1 Ų131 Ų311%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-123.9120.5-175.7-179.50000106.9D141 I142 L169 F173 C195 W196 V197 F221D141-V175 CarbonylContact C-O 3.53Å; D141-V175 VanDerWaalsContact CA-O 3.3Å; D141-V175 WeakPolarHBondContact CA-O 3.38Å; I142-V175 HydrophobicContact CD1-CB 3.7Å; I142-V175 HydrophobicContact CD1-CG1 4.18Å; I142-V175 HydrophobicContact CD1-CG2 3.98Å; I142-V175 HydrophobicContact CG1-CB 3.91Å; I142-V175 HydrophobicContact CG2-CB 4.02Å; I142-V175 HydrophobicContact CG2-CG1 3.82Å; I142-V175 WeakPolarHBondContact CG2-O 3.35Å; I142-V175 PolarHBondContact N-O 3.13Å; L169-V175 HydrophobicContact CD2-CG2 3.94Å; L169-V175 HydrophobicContact CG-CG2 3.88Å; F173-V175 HydrophobicContact CB-CG2 4Å; V175-C195 WeakPolarHBondContact CG1-SG 3.2Å; V175-W196 WeakPolarHBondContact CA-O 3.2Å; V175-V197 HydrophobicContact CG1-CG1 4.26Å; V175-V197 HydrophobicContact CG2-CG1 4.26Å; V175-F221 HydrophobicContact CG1-CE1 4.24Å; V175-F221 HydrophobicContact CG1-CZ 3.8Å
176R95.5Very high85.4Confident45 Ų4532.8 Ų32.817%0.1716%0.161CC..EExtended strand (participates in β ladder)trans-126.798.5-176-52.7-169.9179.4-155.80.3110.1P136 L139 D141 D174 V178 W196 W259P136-R176 WeakPolarHBondContact O-CD 3.3Å; P136-R176 PolarHBondContact O-NH1 3.1Å; L139-R176 HydrophobicContact CB-CB 3.99Å; L139-R176 HydrophobicContact CD1-CB 4.44Å; L139-R176 PolarHBondContact O-NH1 3.01Å; D141-R176 HydrophobicContact CB-CG 4.16Å; D174-R176 WeakPolarHBondContact OD1-CG 3.29Å; D174-R176 IonicContact OD1-CZ 2.93Å; D174-R176 IonicContact OD1-NE 3.27Å; D174-R176 PolarHBondContact OD1-NE 2.9Å; D174-R176 IonicContact OD1-NH2 3.52Å; D174-R176 IonicContact OD2-CZ 3.53Å; D174-R176 IonicContact OD2-NE 3Å; D174-R176 PolarHBondContact OD2-NE 2.86Å; D174-R176 IonicContact OD2-NH2 3.53Å; D174-R176 PolarHBondContact OD2-NH2 3.26Å; R176-V178 PolarHBondContact O-N 3.17Å; R176-W196 HydrophobicContact CB-CB 4.22Å; R176-W196 PolarHBondContact N-O 3.2Å; R176-W196 PolarHBondContact O-N 3.5Å; R176-W259 HydrophobicContact CG-CH2 3.77Å; R176-W259 HydrophobicContact CG-CZ3 4.2Å; R176-W259 VanDerWaalsContact NE-CH2 3.3Å
177P95Very high86.6Confident1 Ų133 Ų331%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-57.7127.8172.8-30.439.9000111.7I142 L145 N179 P180 F183 Y193I142-P177 HydrophobicContact CG2-CG 3.76Å; L145-P177 HydrophobicContact CD1-CB 4.48Å; L145-P177 HydrophobicContact CD1-CG 3.94Å; P177-N179 PolarHBondContact O-N 3.22Å; P177-P180 HydrophobicContact CB-CG 4.4Å; P177-F183 HydrophobicContact CB-CB 3.86Å; P177-F183 HydrophobicContact CB-CD2 4.45Å; P177-F183 HydrophobicContact CB-CG 4.14Å; P177-F183 HydrophobicContact CG-CB 3.86Å; P177-F183 HydrophobicContact CG-CD1 3.9Å; P177-F183 HydrophobicContact CG-CD2 3.79Å; P177-F183 HydrophobicContact CG-CE1 4.37Å; P177-F183 HydrophobicContact CG-CE2 4.24Å; P177-F183 HydrophobicContact CG-CG 3.57Å; P177-Y193 WeakPolarHBondContact CA-OH 3.15Å; P177-Y193 WeakPolarHBondContact CB-OH 3.44Å
178V97.9Very high88.1Confident35 Ų3534.8 Ų34.821%0.21217%0.174CC..SBendtrans-64-37.7169.2172.70000110.2V133 L139 R176 M194 L261V133-V178 HydrophobicContact CB-CG1 4.23Å; V133-V178 HydrophobicContact CB-CG2 4.05Å; V133-V178 HydrophobicContact CG1-CG1 4.31Å; V133-V178 HydrophobicContact CG1-CG2 4.33Å; V133-V178 HydrophobicContact CG2-CG2 4.25Å; L139-V178 HydrophobicContact CD1-CG2 4.06Å; R176-V178 PolarHBondContact O-N 3.17Å; V178-M194 HydrophobicContact CB-CB 4.17Å; V178-M194 WeakPolarHBondContact CB-O 3.15Å; V178-M194 HydrophobicContact CG2-CB 3.89Å; V178-M194 WeakPolarHBondContact CG2-O 3.15Å; V178-M194 PolarHBondContact N-O 2.82Å; V178-M194 VanDerWaalsContact N-O 3.14Å; V178-L261 HydrophobicContact CG2-CD1 4.34Å
179N95Very high89.4Confident61 Ų6134 Ų3433%0.32617%0.174SC..SBendtrans-126.6102.1173-173.5-29.6000110.4P177 K181 K182 F183P177-N179 PolarHBondContact O-N 3.22Å; N179-K181 VanDerWaalsContact C-N 3.3Å; N179-K181 PolarHBondContact O-N 3.31Å; N179-K181 WeakPolarHBondContact OD1-CB 3.21Å; N179-K181 PolarHBondContact OD1-N 3.14Å; N179-K182 HydrophobicContact CB-CB 4.14Å; N179-K182 HydrophobicContact CB-CD 4.27Å; N179-K182 HydrophobicContact CB-CG 4.13Å; N179-K182 PolarHBondContact O-N 2.96Å; N179-K182 PolarHBondContact OD1-N 2.9Å; N179-F183 PolarHBondContact O-N 2.98Å; N179-F183 VanDerWaalsContact O-N 3.11Å
180P91.3Very high90.3Very high34 Ų3438 Ų3822%0.22120%0.196CC..Hα-helixtrans-59.8-34.5178.8-27.736.1000114.3L145 P177 K182 F183 Y184L145-P180 HydrophobicContact CD1-CB 4.02Å; L145-P180 HydrophobicContact CD1-CG 3.97Å; L145-P180 HydrophobicContact CD2-CB 3.91Å; L145-P180 HydrophobicContact CD2-CG 3.89Å; P177-P180 HydrophobicContact CB-CG 4.4Å; P180-K182 VanDerWaalsContact C-N 3.35Å; P180-K182 PolarHBondContact O-N 2.8Å; P180-F183 WeakPolarHBondContact O-CB 3.49Å; P180-F183 PolarHBondContact O-N 3.32Å; P180-Y184 WeakPolarHBondContact O-CD2 3.43Å; P180-Y184 PolarHBondContact O-N 2.86Å
181K90.1Very high91.6Very high95 Ų9539.5 Ų39.541%0.41321%0.206SC..Hα-helixtrans-65-40.8179.6-62-172168.5-172.70112.1N179 L185 Q186 E187N179-K181 VanDerWaalsContact C-N 3.3Å; N179-K181 PolarHBondContact O-N 3.31Å; N179-K181 WeakPolarHBondContact OD1-CB 3.21Å; N179-K181 PolarHBondContact OD1-N 3.14Å; K181-L185 PolarHBondContact O-N 3.05Å; K181-L185 VanDerWaalsContact O-N 3.17Å; K181-Q186 PolarHBondContact O-N 2.91Å; K181-E187 HydrophobicContact CD-CG 4.48Å; K181-E187 WeakPolarHBondContact CD-OE1 3.48Å; K181-E187 IonicContact NZ-OE1 3.51Å; K181-E187 PolarHBondContact NZ-OE1 3.19Å; K181-E187 IonicContact NZ-OE2 2.86Å; K181-E187 PolarHBondContact NZ-OE2 2.83Å; K181-E187 VanDerWaalsContact NZ-OE2 3.11Å
182K92.5Very high92.5Very high25 Ų2537.2 Ų37.211%0.10920%0.197CC..Hα-helixtrans-63.3-44.4172.3-73.6-167173.3-166.60111.2N179 P180 Y184 L185 S189 D190 T192 Y193 M228N179-K182 HydrophobicContact CB-CB 4.14Å; N179-K182 HydrophobicContact CB-CD 4.27Å; N179-K182 HydrophobicContact CB-CG 4.13Å; N179-K182 PolarHBondContact O-N 2.96Å; N179-K182 PolarHBondContact OD1-N 2.9Å; P180-K182 VanDerWaalsContact C-N 3.35Å; P180-K182 PolarHBondContact O-N 2.8Å; K182-Y184 VanDerWaalsContact C-N 3.33Å; K182-Y184 PolarHBondContact O-N 3.33Å; K182-L185 WeakPolarHBondContact O-CD2 3.49Å; K182-L185 PolarHBondContact O-N 2.81Å; K182-S189 WeakPolarHBondContact CE-OG 3.19Å; K182-D190 VanDerWaalsContact CE-OD1 3.3Å; K182-D190 WeakPolarHBondContact CE-OD1 3.01Å; K182-D190 IonicContact NZ-OD1 3.21Å; K182-D190 PolarHBondContact NZ-OD1 3.16Å; K182-D190 IonicContact NZ-OD2 2.81Å; K182-D190 PolarHBondContact NZ-OD2 3.33Å; K182-T192 WeakPolarHBondContact CD-O 3.33Å; K182-T192 PolarHBondContact NZ-O 3.16Å; K182-T192 PolarHBondContact NZ-OG1 3.11Å; K182-Y193 HydrophobicContact CB-CD2 3.79Å; K182-Y193 HydrophobicContact CB-CE2 3.99Å; K182-Y193 HydrophobicContact CD-CD2 4.31Å; K182-M228 HydrophobicContact CB-CE 3.89Å; K182-M228 HydrophobicContact CB-SD 4.16Å; K182-M228 HydrophobicContact CD-SD 4.05Å; K182-M228 HydrophobicContact CG-SD 4.31Å
183F89.2Confident93Very high20 Ų2037.2 Ų37.29%0.08820%0.196CC..Hα-helixtrans-56.1-45.3178.6-178.6-106.6000112.9I142 M166 P177 N179 P180 L185 Y193 F221I142-F183 HydrophobicContact CB-CE1 4.38Å; I142-F183 HydrophobicContact CB-CZ 4.44Å; I142-F183 HydrophobicContact CG2-CD1 4.37Å; I142-F183 HydrophobicContact CG2-CE1 3.6Å; I142-F183 HydrophobicContact CG2-CE2 4.24Å; I142-F183 HydrophobicContact CG2-CZ 3.51Å; M166-F183 HydrophobicContact CE-CE1 3.94Å; M166-F183 HydrophobicContact CE-CZ 3.7Å; M166-F183 HydrophobicContact SD-CZ 4.49Å; P177-F183 HydrophobicContact CB-CB 3.86Å; P177-F183 HydrophobicContact CB-CD2 4.45Å; P177-F183 HydrophobicContact CB-CG 4.14Å; P177-F183 HydrophobicContact CG-CB 3.86Å; P177-F183 HydrophobicContact CG-CD1 3.9Å; P177-F183 HydrophobicContact CG-CD2 3.79Å; P177-F183 HydrophobicContact CG-CE1 4.37Å; P177-F183 HydrophobicContact CG-CE2 4.24Å; P177-F183 HydrophobicContact CG-CG 3.57Å; N179-F183 PolarHBondContact O-N 2.98Å; N179-F183 VanDerWaalsContact O-N 3.11Å; P180-F183 WeakPolarHBondContact O-CB 3.49Å; P180-F183 PolarHBondContact O-N 3.32Å; F183-L185 VanDerWaalsContact C-N 3.29Å; F183-L185 PolarHBondContact O-N 2.75Å; F183-Y193 HydrophobicContact CB-CE2 4.19Å; F183-Y193 WeakPolarHBondContact CB-OH 3.45Å; F183-Y193 HydrophobicContact CD2-CE1 4.3Å; F183-Y193 AromaticContact CD2-CZ 3.9Å; F183-Y193 WeakPolarHBondContact CD2-OH 3.3Å; F183-F221 HydrophobicContact CE2-CD1 4.08Å; F183-F221 AromaticContact CE2-CE1 3.76Å; F183-F221 HydrophobicContact CE2-CE1 3.76Å
184Y86.1Confident93.3Very high18 Ų1838.8 Ų38.87%0.07120%0.204CC..THydrogen-bonded Turntrans-84.84.3177.9-68.1-70.7000113.7L145 R146 N151 N153 P180 K182 Q186L145-Y184 HydrophobicContact CB-CE2 4.07Å; L145-Y184 WeakPolarHBondContact CB-OH 3.44Å; R146-Y184 PolarHBondContact N-OH 3.2Å; N151-Y184 HydrophobicContact CB-CD1 4.4Å; N151-Y184 HydrophobicContact CB-CD2 3.74Å; N151-Y184 HydrophobicContact CB-CE1 4.15Å; N151-Y184 HydrophobicContact CB-CE2 3.48Å; N151-Y184 VanDerWaalsContact CB-CE2 3.48Å; N151-Y184 HydrophobicContact CB-CG 4.22Å; N153-Y184 WeakPolarHBondContact CA-O 3.31Å; N153-Y184 VanDerWaalsContact CB-O 3.27Å; N153-Y184 WeakPolarHBondContact CB-O 3.36Å; N153-Y184 PolarHBondContact ND2-O 2.92Å; N153-Y184 PolarHBondContact OD1-O 2.96Å; P180-Y184 WeakPolarHBondContact O-CD2 3.43Å; P180-Y184 PolarHBondContact O-N 2.86Å; K182-Y184 VanDerWaalsContact C-N 3.33Å; K182-Y184 PolarHBondContact O-N 3.33Å; Y184-Q186 VanDerWaalsContact C-N 3.26Å; Y184-Q186 PolarHBondContact O-N 3.21Å
185L86.8Confident93.4Very high1 Ų137.8 Ų37.81%0.00520%0.198CC..THydrogen-bonded Turntrans49.447.5-178.3-59.3178.2000111.8P154 L155 K181 K182 F183 P224 L227 M228 V231P154-L185 VanDerWaalsContact CD-O 3.23Å; P154-L185 WeakPolarHBondContact CD-O 3.37Å; P154-L185 WeakPolarHBondContact CG-O 3.49Å; L155-L185 HydrophobicContact CD1-CB 4.39Å; L155-L185 HydrophobicContact CD1-CD1 3.71Å; K181-L185 PolarHBondContact O-N 3.05Å; K181-L185 VanDerWaalsContact O-N 3.17Å; K182-L185 WeakPolarHBondContact O-CD2 3.49Å; K182-L185 PolarHBondContact O-N 2.81Å; F183-L185 VanDerWaalsContact C-N 3.29Å; F183-L185 PolarHBondContact O-N 2.75Å; L185-P224 HydrophobicContact CD1-CB 4.23Å; L185-P224 HydrophobicContact CD2-CB 4.38Å; L185-L227 HydrophobicContact CD1-CB 4.12Å; L185-L227 HydrophobicContact CD1-CD1 4.22Å; L185-M228 HydrophobicContact CD2-CB 4.47Å; L185-M228 HydrophobicContact CD2-CE 4.32Å; L185-M228 HydrophobicContact CD2-CG 3.57Å; L185-V231 HydrophobicContact CB-CG2 3.73Å; L185-V231 HydrophobicContact CD2-CG2 4.08Å; L185-V231 HydrophobicContact CG-CG2 4.41Å; L185-V231 WeakPolarHBondContact O-CG1 3.37Å
186Q85.2Confident93.6Very high57 Ų5737.8 Ų37.827%0.26620%0.198SC..  trans-81.1-37.8-174.8-75172.8-19.200113.4D150 N151 K181 Y184D150-Q186 PolarHBondContact O-NE2 3.42Å; N151-Q186 PolarHBondContact OD1-NE2 2.78Å; K181-Q186 PolarHBondContact O-N 2.91Å; Y184-Q186 VanDerWaalsContact C-N 3.26Å; Y184-Q186 PolarHBondContact O-N 3.21Å
187E88.4Confident93.7Very high90 Ų9035.6 Ų35.642%0.42119%0.19SC..SBendtrans-135.5151.5-179.263.9-167-170.500109.9K181 S189K181-E187 HydrophobicContact CD-CG 4.48Å; K181-E187 WeakPolarHBondContact CD-OE1 3.48Å; K181-E187 IonicContact NZ-OE1 3.51Å; K181-E187 PolarHBondContact NZ-OE1 3.19Å; K181-E187 IonicContact NZ-OE2 2.86Å; K181-E187 PolarHBondContact NZ-OE2 2.83Å; K181-E187 VanDerWaalsContact NZ-OE2 3.11Å; E187-S189 PolarHBondContact O-N 3.27Å
188P92.1Very high93.7Very high81 Ų8137.4 Ų37.453%0.52620%0.198SC..  trans-61.4136.5175.110.8-14.4000111.5M228 V231P188-M228 WeakPolarHBondContact CA-O 3.2Å; P188-V231 WeakPolarHBondContact CD-O 3.24Å; P188-V231 VanDerWaalsContact CG-O 3.29Å; P188-V231 WeakPolarHBondContact CG-O 3.34Å
189S94.9Very high93.6Very high26 Ų2635.8 Ų35.818%0.18219%0.188CC..  trans-142.3170.3176.773.50000111.7K182 E187 M228 P229K182-S189 WeakPolarHBondContact CE-OG 3.19Å; E187-S189 PolarHBondContact O-N 3.27Å; S189-M228 PolarHBondContact N-O 3.09Å; S189-M228 CarbonylContact O-C 3.42Å; S189-P229 VanDerWaalsContact O-CA 3.3Å; S189-P229 WeakPolarHBondContact O-CA 3.32Å
190D97Very high93.6Very high87 Ų8736.3 Ų36.347%0.46519%0.187SC..  trans-56146.3165.962.8-54.5000110.4K182 T192K182-D190 VanDerWaalsContact CE-OD1 3.3Å; K182-D190 WeakPolarHBondContact CE-OD1 3.01Å; K182-D190 IonicContact NZ-OD1 3.21Å; K182-D190 PolarHBondContact NZ-OD1 3.16Å; K182-D190 IonicContact NZ-OD2 2.81Å; K182-D190 PolarHBondContact NZ-OD2 3.33Å; D190-T192 PolarHBondContact O-N 3.46Å; D190-T192 PolarHBondContact OD2-OG1 2.88Å
191P97.5Very high93.6Very high38 Ų3838.5 Ų38.525%0.24719%0.194CC..SBendtrans-81.647.9-173.735.7-36.3000111.8T225 P229 E265 S266P191-T225 WeakPolarHBondContact O-CG2 3.43Å; P191-P229 HydrophobicContact CB-CG 3.66Å; P191-P229 HydrophobicContact CG-CG 4Å; P191-E265 CarbonylContact O-C 3.43Å; P191-E265 VanDerWaalsContact O-CA 3.28Å; P191-E265 WeakPolarHBondContact O-CA 3.35Å; P191-S266 WeakPolarHBondContact CG-O 3.14Å; P191-S266 PolarHBondContact O-N 2.83Å
192T98.3Very high93.6Very high39 Ų3941.3 Ų41.324%0.23921%0.207CC..EExtended strand (participates in β ladder)trans-122.7142173.674.40000109.5K182 D190 T264 E265K182-T192 WeakPolarHBondContact CD-O 3.33Å; K182-T192 PolarHBondContact NZ-O 3.16Å; K182-T192 PolarHBondContact NZ-OG1 3.11Å; D190-T192 PolarHBondContact O-N 3.46Å; D190-T192 PolarHBondContact OD2-OG1 2.88Å; T192-T264 CarbonylContact C-O 3.58Å; T192-T264 WeakPolarHBondContact CA-O 3.36Å; T192-E265 HydrophobicContact CG2-CB 4.3Å
193Y98Very high93.5Very high4 Ų440.1 Ų40.12%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-151.1143.3-177.9-173.7-114.9000112.9P177 K182 F183 C195 F221 T225 M228 E263 T264P177-Y193 WeakPolarHBondContact CA-OH 3.15Å; P177-Y193 WeakPolarHBondContact CB-OH 3.44Å; K182-Y193 HydrophobicContact CB-CD2 3.79Å; K182-Y193 HydrophobicContact CB-CE2 3.99Å; K182-Y193 HydrophobicContact CD-CD2 4.31Å; F183-Y193 HydrophobicContact CB-CE2 4.19Å; F183-Y193 WeakPolarHBondContact CB-OH 3.45Å; F183-Y193 HydrophobicContact CD2-CE1 4.3Å; F183-Y193 AromaticContact CD2-CZ 3.9Å; F183-Y193 WeakPolarHBondContact CD2-OH 3.3Å; Y193-C195 HydrophobicContact CD1-CB 4.45Å; Y193-C195 HydrophobicContact CE1-CB 3.59Å; Y193-F221 HydrophobicContact CD1-CB 3.98Å; Y193-F221 HydrophobicContact CD1-CG 4.45Å; Y193-F221 HydrophobicContact CE1-CB 4.08Å; Y193-F221 HydrophobicContact CE1-CD1 4.31Å; Y193-F221 HydrophobicContact CE1-CG 4.09Å; Y193-T225 WeakPolarHBondContact CB-OG1 3.45Å; Y193-M228 HydrophobicContact CD1-CE 4.35Å; Y193-M228 HydrophobicContact CD2-CE 3.63Å; Y193-M228 HydrophobicContact CE2-CE 4.49Å; Y193-M228 HydrophobicContact CG-CE 3.56Å; Y193-E263 CarbonylContact O-C 3.58Å; Y193-E263 WeakPolarHBondContact O-CA 3.5Å; Y193-T264 PolarHBondContact N-O 2.73Å; Y193-T264 PolarHBondContact O-N 2.83Å; Y193-T264 PolarHBondContact O-OG1 2.79Å
194M98.5Very high93.5Very high35 Ų3540.6 Ų40.617%0.17221%0.212CC..EExtended strand (participates in β ladder)trans-134129.1-176.5-66.778.2-168.100109V133 V178 L261 Y262 E263V133-M194 HydrophobicContact CG1-CB 4.32Å; V133-M194 HydrophobicContact CG1-CG 4.32Å; V178-M194 HydrophobicContact CB-CB 4.17Å; V178-M194 WeakPolarHBondContact CB-O 3.15Å; V178-M194 HydrophobicContact CG2-CB 3.89Å; V178-M194 WeakPolarHBondContact CG2-O 3.15Å; V178-M194 PolarHBondContact N-O 2.82Å; V178-M194 VanDerWaalsContact N-O 3.14Å; M194-L261 HydrophobicContact CB-CD1 4.11Å; M194-Y262 WeakPolarHBondContact CA-O 3.32Å; M194-E263 HydrophobicContact CE-CG 3.56Å; M194-E263 HydrophobicContact CG-CB 4.49Å; M194-E263 HydrophobicContact CG-CG 4.28Å
195C97.9Very high93.7Very high0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-143.2129.3180-172.20000111V175 Y193 F221 Y262V175-C195 WeakPolarHBondContact CG1-SG 3.2Å; Y193-C195 HydrophobicContact CD1-CB 4.45Å; Y193-C195 HydrophobicContact CE1-CB 3.59Å; C195-F221 HydrophobicContact CB-CD2 4.19Å; C195-F221 HydrophobicContact CB-CE2 4.04Å; C195-F221 HydrophobicContact CB-CZ 4.43Å; C195-Y262 PolarHBondContact N-O 3.33Å; C195-Y262 PolarHBondContact O-N 3.26Å
196W98.4Very high94Very high1 Ų150.4 Ų50.40%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-79.2135.6170.9-70.5101.9000110.1V133 P134 P136 V175 R176 W259 M260 L261 R283V133-W196 HydrophobicContact CG2-CZ2 3.87Å; P134-W196 PolarHBondContact O-NE1 2.84Å; P136-W196 HydrophobicContact CB-CB 3.91Å; P136-W196 HydrophobicContact CB-CD2 3.98Å; P136-W196 HydrophobicContact CB-CE3 4.49Å; P136-W196 HydrophobicContact CB-CG 3.71Å; P136-W196 HydrophobicContact CG-CD2 3.99Å; P136-W196 HydrophobicContact CG-CE3 4.18Å; P136-W196 HydrophobicContact CG-CG 4.27Å; V175-W196 WeakPolarHBondContact CA-O 3.2Å; R176-W196 HydrophobicContact CB-CB 4.22Å; R176-W196 PolarHBondContact N-O 3.2Å; R176-W196 PolarHBondContact O-N 3.5Å; W196-W259 HydrophobicContact CB-CE3 3.76Å; W196-W259 HydrophobicContact CB-CZ3 3.78Å; W196-W259 HydrophobicContact CE3-CB 4Å; W196-W259 HydrophobicContact CE3-CE3 4.4Å; W196-W259 HydrophobicContact CZ3-CB 4.11Å; W196-M260 CarbonylContact C-O 3.43Å; W196-M260 WeakPolarHBondContact CA-O 3.35Å; W196-M260 VanDerWaalsContact CE3-C 3.48Å; W196-L261 HydrophobicContact CD2-CB 3.99Å; W196-L261 HydrophobicContact CD2-CD1 3.9Å; W196-L261 HydrophobicContact CE3-CB 3.72Å; W196-L261 HydrophobicContact CE3-CD1 4.48Å; W196-L261 HydrophobicContact CG-CD1 4.09Å; W196-L261 HydrophobicContact CH2-CB 3.76Å; W196-L261 HydrophobicContact CZ2-CB 4.03Å; W196-L261 HydrophobicContact CZ2-CD1 4.26Å; W196-L261 HydrophobicContact CZ2-CD2 4.23Å; W196-L261 HydrophobicContact CZ2-CG 4.42Å; W196-L261 HydrophobicContact CZ3-CB 3.6Å; W196-R283 HydrophobicContact CZ3-CB 4.47Å
197V97.1Very high94.5Very high0 Ų053.1 Ų53.10%027%0.273CS..EExtended strand (participates in β ladder)trans-136.1139.3179-690000110.2D174 V175 V217 F221 M260 M280D174-V197 CarbonylContact O-C 3.54Å; D174-V197 WeakPolarHBondContact O-CA 3.16Å; V175-V197 HydrophobicContact CG1-CG1 4.26Å; V175-V197 HydrophobicContact CG2-CG1 4.26Å; V197-V217 HydrophobicContact CB-CG1 4.37Å; V197-V217 HydrophobicContact CG1-CG1 4.41Å; V197-V217 HydrophobicContact CG2-CG1 3.95Å; V197-F221 HydrophobicContact CG1-CE2 3.72Å; V197-F221 HydrophobicContact CG1-CZ 3.92Å; V197-M260 HydrophobicContact CG2-CB 4.23Å; V197-M260 HydrophobicContact CG2-CE 4.27Å; V197-M260 PolarHBondContact N-O 3.24Å; V197-M260 PolarHBondContact O-N 2.94Å; V197-M280 HydrophobicContact CG2-CE 4.29Å; V197-M280 HydrophobicContact CG2-SD 4.14Å
198K96.3Very high94.8Very high39 Ų3950.2 Ų50.217%0.1726%0.258CS..EExtended strand (participates in β ladder)trans-153.7134.2178.3-171.2-17779.265.80110.7F173 D174 K200 D257 W259F173-K198 CarbonylContact C-O 3.56Å; F173-K198 VanDerWaalsContact CA-O 3.24Å; F173-K198 WeakPolarHBondContact CA-O 3.24Å; D174-K198 PolarHBondContact N-O 3.33Å; D174-K198 PolarHBondContact O-N 2.8Å; K198-K200 PolarHBondContact O-N 2.79Å; K198-D257 VanDerWaalsContact CD-O 3.25Å; K198-D257 WeakPolarHBondContact CD-O 3.48Å; K198-D257 VanDerWaalsContact CG-C 3.46Å; K198-D257 WeakPolarHBondContact CG-O 3.42Å; K198-W259 HydrophobicContact CB-CD2 3.83Å; K198-W259 HydrophobicContact CB-CE3 3.54Å; K198-W259 HydrophobicContact CB-CG 4.48Å; K198-W259 HydrophobicContact CB-CH2 4.15Å; K198-W259 HydrophobicContact CB-CZ2 4.41Å; K198-W259 HydrophobicContact CB-CZ3 3.71Å; K198-W259 HydrophobicContact CD-CD2 3.84Å; K198-W259 HydrophobicContact CD-CE3 4.43Å; K198-W259 HydrophobicContact CD-CG 3.93Å; K198-W259 HydrophobicContact CD-CZ2 4.3Å; K198-W259 HydrophobicContact CG-CD2 4.37Å
199F95.5Very high94.8Very high0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-61.7133.4171.2-162.9-107.5000109.5L8 R9 F12 S172 F173 E201 I203 V256 D257L8-F199 HydrophobicContact CG-CZ 4.24Å; R9-F199 HydrophobicContact CB-CE1 4.32Å; F12-F199 HydrophobicContact CB-CE2 3.73Å; F12-F199 HydrophobicContact CB-CZ 3.66Å; F12-F199 AromaticContact CD1-CE2 3.97Å; F12-F199 HydrophobicContact CD1-CE2 3.97Å; F12-F199 HydrophobicContact CD1-CZ 4.27Å; F12-F199 AromaticContact CD2-CE2 3.67Å; F12-F199 HydrophobicContact CD2-CE2 3.67Å; F12-F199 HydrophobicContact CD2-CZ 4.46Å; F12-F199 HydrophobicContact CE2-CE2 4.36Å; F12-F199 AromaticContact CG-CE2 3.49Å; F12-F199 HydrophobicContact CG-CE2 3.49Å; F12-F199 VanDerWaalsContact CG-CE2 3.49Å; F12-F199 AromaticContact CG-CZ 3.88Å; F12-F199 HydrophobicContact CG-CZ 3.88Å; S172-F199 VanDerWaalsContact O-CD2 3.28Å; S172-F199 WeakPolarHBondContact O-CD2 3.39Å; F173-F199 HydrophobicContact CD1-CB 4.16Å; F173-F199 HydrophobicContact CD1-CD2 4.2Å; F173-F199 HydrophobicContact CD2-CD2 4.34Å; F173-F199 HydrophobicContact CE1-CB 3.96Å; F173-F199 AromaticContact CE1-CD2 3.82Å; F173-F199 HydrophobicContact CE1-CD2 3.82Å; F173-F199 HydrophobicContact CE1-CG 4.39Å; F173-F199 AromaticContact CE2-CD2 3.98Å; F173-F199 HydrophobicContact CE2-CD2 3.98Å; F173-F199 HydrophobicContact CE2-CE2 4.43Å; F173-F199 HydrophobicContact CG-CD2 4.44Å; F173-F199 AromaticContact CZ-CD2 3.7Å; F173-F199 HydrophobicContact CZ-CD2 3.7Å; F173-F199 HydrophobicContact CZ-CE2 4.45Å; F199-E201 HydrophobicContact CD1-CB 4.45Å; F199-E201 VanDerWaalsContact CD1-O 3.24Å; F199-E201 WeakPolarHBondContact CD1-O 3.35Å; F199-E201 HydrophobicContact CE1-CB 4.14Å; F199-E201 PolarHBondContact O-N 3.38Å; F199-I203 HydrophobicContact CD1-CB 3.9Å; F199-I203 HydrophobicContact CD1-CD1 4.4Å; F199-I203 HydrophobicContact CD1-CG1 4.41Å; F199-I203 HydrophobicContact CE1-CB 4.24Å; F199-I203 HydrophobicContact CE1-CG1 4.41Å; F199-V256 HydrophobicContact CB-CG2 4.15Å; F199-V256 WeakPolarHBondContact CB-O 3.07Å; F199-V256 PolarHBondContact N-O 2.94Å; F199-D257 HydrophobicContact CB-CB 4.14Å
200K94Very high94.9Very high73 Ų7346.1 Ų46.132%0.31723%0.23SC..SBendtrans-68.2-36.2-169.6-75.5-179.7164.8-176.90112.5L8 E143 P170 S172 D174 K198L8-K200 HydrophobicContact CD2-CB 3.67Å; L8-K200 HydrophobicContact CD2-CD 4.45Å; E143-K200 IonicContact OE1-NZ 3.08Å; E143-K200 PolarHBondContact OE1-NZ 3.08Å; E143-K200 IonicContact OE2-NZ 3.67Å; E143-K200 PolarHBondContact OE2-NZ 2.91Å; P170-K200 WeakPolarHBondContact O-CE 3.46Å; P170-K200 PolarHBondContact O-NZ 3.09Å; S172-K200 PolarHBondContact O-N 3.45Å; D174-K200 HydrophobicContact CB-CG 4.2Å; K198-K200 PolarHBondContact O-N 2.79Å
201E91.1Very high94.9Very high80 Ų8042 Ų4237%0.37421%0.208SC..SBendtrans-103174.9178.6-73.3-174.8-174.800112.4L8 R9 F199 I203 D257L8-E201 HydrophobicContact CB-CB 4.46Å; L8-E201 HydrophobicContact CB-CG 3.84Å; L8-E201 WeakPolarHBondContact CB-OE1 3.23Å; L8-E201 WeakPolarHBondContact CB-OE2 3.4Å; L8-E201 HydrophobicContact CD2-CG 4.12Å; L8-E201 PolarHBondContact N-OE1 3.19Å; L8-E201 PolarHBondContact N-OE2 3.39Å; R9-E201 PolarHBondContact N-OE2 3.17Å; F199-E201 HydrophobicContact CD1-CB 4.45Å; F199-E201 VanDerWaalsContact CD1-O 3.24Å; F199-E201 WeakPolarHBondContact CD1-O 3.35Å; F199-E201 HydrophobicContact CE1-CB 4.14Å; F199-E201 PolarHBondContact O-N 3.38Å; E201-I203 PolarHBondContact O-N 3.16Å; E201-D257 WeakPolarHBondContact O-CB 3.29Å
202K91.8Very high94.8Very high154 Ų15440.3 Ų40.367%0.6720%0.197SC*.  trans-72.9119.5166.5-72.1-60.3-174.5179.90110.6D257K202-D257 VanDerWaalsContact CA-OD2 3.28Å; K202-D257 WeakPolarHBondContact CA-OD2 3.49Å; K202-D257 HydrophobicContact CD-CB 4.39Å; K202-D257 WeakPolarHBondContact CD-OD2 3.44Å; K202-D257 IonicContact NZ-OD1 3.85Å; K202-D257 PolarHBondContact NZ-OD1 3.26Å; K202-D257 IonicContact NZ-OD2 2.94Å
203I89.6Confident94.5Very high0 Ų038.5 Ų38.50%019%0.186CC..  trans-85.6-21.3179.9-163.2164.9000112.2R9 F12 F199 E201 L209 N210 A213 V256 D257R9-I203 WeakPolarHBondContact CD-O 3.43Å; R9-I203 HydrophobicContact CG-CG1 4.41Å; R9-I203 PolarHBondContact NE-O 3.1Å; F12-I203 HydrophobicContact CD1-CD1 4.44Å; F12-I203 HydrophobicContact CE1-CD1 4.38Å; F199-I203 HydrophobicContact CD1-CB 3.9Å; F199-I203 HydrophobicContact CD1-CD1 4.4Å; F199-I203 HydrophobicContact CD1-CG1 4.41Å; F199-I203 HydrophobicContact CE1-CB 4.24Å; F199-I203 HydrophobicContact CE1-CG1 4.41Å; E201-I203 PolarHBondContact O-N 3.16Å; I203-L209 HydrophobicContact CD1-CD1 4.46Å; I203-L209 HydrophobicContact CD1-CD2 4.34Å; I203-L209 HydrophobicContact CD1-CG 4.07Å; I203-L209 HydrophobicContact CG1-CD2 3.8Å; I203-L209 HydrophobicContact CG1-CG 4.06Å; I203-N210 VanDerWaalsContact CG2-OD1 3.29Å; I203-N210 WeakPolarHBondContact CG2-OD1 3.46Å; I203-A213 HydrophobicContact CD1-CB 3.87Å; I203-V256 HydrophobicContact CB-CG2 4.3Å; I203-V256 HydrophobicContact CD1-CG2 3.58Å; I203-V256 HydrophobicContact CG1-CG2 4.5Å; I203-V256 HydrophobicContact CG2-CG2 3.72Å; I203-D257 HydrophobicContact CG2-CB 4.28Å; I203-D257 PolarHBondContact N-OD2 3.03Å
204G89.3Confident94.4Very high29 Ų2938.3 Ų38.330%0.29919%0.185SC..  trans100.4174.5-17600000112.9N210G204-N210 PolarHBondContact O-ND2 3.46Å
205D90.6Very high94.3Very high144 Ų14436.6 Ų36.677%0.7718%0.177SC*.SBendtrans-95.66.9-17460.5-10.7000113.8R207D205-R207 PolarHBondContact O-N 2.89Å
206D93.3Very high94.1Very high82 Ų8236.6 Ų36.644%0.43918%0.177SC..  trans-64.3106.3171-177.8-16.5000109.5R208 L209 N210D206-R208 VanDerWaalsContact C-N 3.27Å; D206-R208 PolarHBondContact O-N 3.19Å; D206-R208 WeakPolarHBondContact OD1-CB 3.5Å; D206-R208 PolarHBondContact OD1-N 3.18Å; D206-L209 HydrophobicContact CB-CB 3.93Å; D206-L209 PolarHBondContact O-N 2.82Å; D206-L209 PolarHBondContact OD1-N 2.72Å; D206-N210 PolarHBondContact O-N 3.19Å; D206-N210 PolarHBondContact O-ND2 3.15Å
207R94.2Very high93.9Very high113 Ų11336.6 Ų36.643%0.42618%0.177SC..Hα-helixtrans-58.4-37.5-178.7-62.9175.668.4-1797.8112.4L64 D205 N210 L211 P252L64-R207 HydrophobicContact CD1-CB 4.24Å; L64-R207 VanDerWaalsContact CD1-NE 3.32Å; L64-R207 VanDerWaalsContact CD1-NH2 3.32Å; L64-R207 HydrophobicContact CD2-CB 4.35Å; D205-R207 PolarHBondContact O-N 2.89Å; R207-N210 PolarHBondContact O-N 2.9Å; R207-L211 WeakPolarHBondContact O-CB 3.44Å; R207-L211 WeakPolarHBondContact O-CD1 3.14Å; R207-L211 VanDerWaalsContact O-CG 3.25Å; R207-L211 WeakPolarHBondContact O-CG 3.4Å; R207-L211 PolarHBondContact O-N 2.98Å; R207-P252 PolarHBondContact NE-O 2.94Å; R207-P252 VanDerWaalsContact NE-O 3.15Å
208R95.1Very high93.8Very high29 Ų2936.6 Ų36.611%0.10918%0.177CC..Hα-helixtrans-68.3-41.9179.9-75.5-178.8168.5-150.7-14.5110.9M56 V59 S60 N61 F63 L64 D206 L211 C212M56-R208 HydrophobicContact CE-CB 4.07Å; M56-R208 HydrophobicContact CE-CG 4.15Å; M56-R208 PolarHBondContact O-NH1 2.83Å; M56-R208 HydrophobicContact SD-CB 3.57Å; M56-R208 VanDerWaalsContact SD-CB 3.57Å; M56-R208 HydrophobicContact SD-CG 3.79Å; V59-R208 PolarHBondContact O-NH1 2.73Å; V59-R208 PolarHBondContact O-NH2 3.11Å; S60-R208 PolarHBondContact O-NH2 3.32Å; N61-R208 PolarHBondContact OD1-NE 2.76Å; N61-R208 PolarHBondContact OD1-NH1 3.25Å; F63-R208 PolarHBondContact O-NH2 3.47Å; L64-R208 HydrophobicContact CD2-CG 3.58Å; D206-R208 VanDerWaalsContact C-N 3.27Å; D206-R208 PolarHBondContact O-N 3.19Å; D206-R208 WeakPolarHBondContact OD1-CB 3.5Å; D206-R208 PolarHBondContact OD1-N 3.18Å; R208-L211 PolarHBondContact O-N 2.93Å; R208-C212 PolarHBondContact O-N 2.94Å; R208-C212 PolarHBondContact O-SG 2.85Å
209L93.6Very high93.7Very high20 Ų2035.5 Ų35.511%0.10517%0.173CC..Hα-helixtrans-63.5-45.1175.4177.558.9000111.7I13 L17 I203 D206 L211 C212 A213I13-L209 HydrophobicContact CD1-CD1 4.23Å; I13-L209 HydrophobicContact CD1-CD2 3.85Å; I13-L209 HydrophobicContact CG1-CD1 3.92Å; I13-L209 HydrophobicContact CG1-CD2 4.39Å; L17-L209 HydrophobicContact CD1-CD1 3.54Å; I203-L209 HydrophobicContact CD1-CD1 4.46Å; I203-L209 HydrophobicContact CD1-CD2 4.34Å; I203-L209 HydrophobicContact CD1-CG 4.07Å; I203-L209 HydrophobicContact CG1-CD2 3.8Å; I203-L209 HydrophobicContact CG1-CG 4.06Å; D206-L209 HydrophobicContact CB-CB 3.93Å; D206-L209 PolarHBondContact O-N 2.82Å; D206-L209 PolarHBondContact OD1-N 2.72Å; L209-L211 PolarHBondContact O-N 3.48Å; L209-C212 PolarHBondContact O-N 3.08Å; L209-A213 WeakPolarHBondContact O-CB 3.14Å; L209-A213 PolarHBondContact O-N 3.03Å
210N95.6Very high93.5Very high1 Ų135.7 Ų35.71%0.00517%0.174CC..Hα-helixtrans-59.6-44.5176.3-81.6-79.5000111.8I203 G204 D206 R207 C212 A213 A214 L254 L255 V256I203-N210 VanDerWaalsContact CG2-OD1 3.29Å; I203-N210 WeakPolarHBondContact CG2-OD1 3.46Å; G204-N210 PolarHBondContact O-ND2 3.46Å; D206-N210 PolarHBondContact O-N 3.19Å; D206-N210 PolarHBondContact O-ND2 3.15Å; R207-N210 PolarHBondContact O-N 2.9Å; N210-C212 PolarHBondContact O-N 2.84Å; N210-A213 PolarHBondContact O-N 2.85Å; N210-A214 WeakPolarHBondContact O-CB 3.33Å; N210-A214 PolarHBondContact O-N 2.95Å; N210-L254 HydrophobicContact CB-CD1 4.06Å; N210-L254 WeakPolarHBondContact CB-O 3.21Å; N210-L255 WeakPolarHBondContact OD1-CA 3.21Å; N210-V256 VanDerWaalsContact O-CG1 3.27Å; N210-V256 WeakPolarHBondContact O-CG1 3.29Å; N210-V256 PolarHBondContact OD1-N 3.23Å
211L96.6Very high93.4Very high0 Ų033.1 Ų33.10%016%0.163CC..Hα-helixtrans-62.3-41.1175.7-73.3163.1000112.6M52 M56 L64 P65 R207 R208 L209 A214 A215 F249 P252 L254M52-L211 HydrophobicContact CE-CB 4.38Å; M52-L211 HydrophobicContact SD-CB 4.29Å; M56-L211 HydrophobicContact CE-CB 4.03Å; M56-L211 HydrophobicContact CE-CD1 4.5Å; L64-L211 HydrophobicContact CB-CD1 4.16Å; L64-L211 HydrophobicContact CD1-CD1 4.48Å; L64-L211 HydrophobicContact CD2-CD1 4.15Å; L64-L211 HydrophobicContact CG-CD1 4.5Å; P65-L211 HydrophobicContact CG-CB 4.37Å; P65-L211 HydrophobicContact CG-CD1 3.9Å; R207-L211 WeakPolarHBondContact O-CB 3.44Å; R207-L211 WeakPolarHBondContact O-CD1 3.14Å; R207-L211 VanDerWaalsContact O-CG 3.25Å; R207-L211 WeakPolarHBondContact O-CG 3.4Å; R207-L211 PolarHBondContact O-N 2.98Å; R208-L211 PolarHBondContact O-N 2.93Å; L209-L211 PolarHBondContact O-N 3.48Å; L211-A214 PolarHBondContact O-N 3.12Å; L211-A215 WeakPolarHBondContact O-CB 3.3Å; L211-A215 PolarHBondContact O-N 2.81Å; L211-F249 HydrophobicContact CD2-CB 4.29Å; L211-F249 HydrophobicContact CD2-CD1 3.32Å; L211-F249 HydrophobicContact CD2-CD2 4.32Å; L211-F249 HydrophobicContact CD2-CE1 3.59Å; L211-F249 HydrophobicContact CD2-CG 3.72Å; L211-F249 HydrophobicContact CD2-CZ 4.21Å; L211-P252 HydrophobicContact CD1-CB 3.99Å; L211-P252 HydrophobicContact CD2-CB 4.19Å; L211-L254 HydrophobicContact CD2-CD2 3.85Å
212C95.4Very high93.6Very high4 Ų429.3 Ų29.33%0.02715%0.145CC..Hα-helixtrans-65.4-40.6176.1-680000112.2L17 M52 V53 M56 R208 L209 N210 A215 F216L17-C212 HydrophobicContact CD1-CB 3.81Å; L17-C212 HydrophobicContact CD2-CB 3.95Å; M52-C212 HydrophobicContact SD-CB 4.34Å; V53-C212 HydrophobicContact CG2-CB 4.15Å; V53-C212 VanDerWaalsContact CG2-SG 3.57Å; M56-C212 PolarHBondContact SD-SG 2.9Å; R208-C212 PolarHBondContact O-N 2.94Å; R208-C212 PolarHBondContact O-SG 2.85Å; L209-C212 PolarHBondContact O-N 3.08Å; N210-C212 PolarHBondContact O-N 2.84Å; C212-A215 PolarHBondContact O-N 2.83Å; C212-F216 PolarHBondContact O-N 2.89Å
213A93.5Very high93.6Very high0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-67.2-38175.900000111.8F12 I203 L209 N210 F216 V217 V256F12-A213 HydrophobicContact CE1-CB 3.79Å; F12-A213 HydrophobicContact CZ-CB 3.94Å; I203-A213 HydrophobicContact CD1-CB 3.87Å; L209-A213 WeakPolarHBondContact O-CB 3.14Å; L209-A213 PolarHBondContact O-N 3.03Å; N210-A213 PolarHBondContact O-N 2.85Å; A213-F216 WeakPolarHBondContact O-CB 3.44Å; A213-F216 PolarHBondContact O-N 2.83Å; A213-V217 PolarHBondContact O-N 2.9Å; A213-V256 HydrophobicContact CB-CB 4.34Å; A213-V256 HydrophobicContact CB-CG1 3.97Å; A213-V256 HydrophobicContact CB-CG2 3.71Å
214A95.3Very high93.6Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-64-43.2173.600000112N210 L211 F216 V217 S218 F249 L254 V256 F289N210-A214 WeakPolarHBondContact O-CB 3.33Å; N210-A214 PolarHBondContact O-N 2.95Å; L211-A214 PolarHBondContact O-N 3.12Å; A214-F216 VanDerWaalsContact C-N 3.26Å; A214-F216 PolarHBondContact O-N 2.68Å; A214-V217 PolarHBondContact O-N 2.85Å; A214-V217 VanDerWaalsContact O-N 3.14Å; A214-S218 PolarHBondContact O-N 2.82Å; A214-F249 HydrophobicContact CB-CE1 4.3Å; A214-L254 HydrophobicContact CB-CD1 3.94Å; A214-L254 HydrophobicContact CB-CD2 3.95Å; A214-V256 HydrophobicContact CB-CG1 3.93Å; A214-F289 HydrophobicContact CB-CD1 4.47Å; A214-F289 HydrophobicContact CB-CE1 3.81Å
215A95.6Very high93.9Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-64.5-28.4174.800000113.1I48 M52 L211 C212 S218 I247 F249I48-A215 HydrophobicContact CG2-CB 4.1Å; M52-A215 HydrophobicContact CE-CB 4.35Å; M52-A215 HydrophobicContact SD-CB 4.03Å; L211-A215 WeakPolarHBondContact O-CB 3.3Å; L211-A215 PolarHBondContact O-N 2.81Å; C212-A215 PolarHBondContact O-N 2.83Å; A215-S218 PolarHBondContact O-OG 3.37Å; A215-I247 HydrophobicContact CB-CD1 3.86Å; A215-F249 HydrophobicContact CB-CZ 4.27Å
216F93.7Very high94.2Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-66.4-44.1170.8171.3-88.7000111.5F12 F16 I33 Y43 Q46 L165 L169 F173 C212 A213 A214F12-F216 HydrophobicContact CE2-CD1 4.15Å; F12-F216 HydrophobicContact CE2-CE1 4.34Å; F12-F216 HydrophobicContact CE2-CG 4.48Å; F12-F216 HydrophobicContact CZ-CD1 4.4Å; F12-F216 HydrophobicContact CZ-CG 4.44Å; F16-F216 HydrophobicContact CB-CD2 4.2Å; F16-F216 HydrophobicContact CB-CE2 4.25Å; F16-F216 HydrophobicContact CD1-CD2 4.09Å; F16-F216 AromaticContact CD1-CE2 3.3Å; F16-F216 HydrophobicContact CD1-CE2 3.3Å; F16-F216 AromaticContact CD1-CZ 3.74Å; F16-F216 HydrophobicContact CD1-CZ 3.74Å; F16-F216 AromaticContact CE1-CE2 3.82Å; F16-F216 HydrophobicContact CE1-CE2 3.82Å; F16-F216 AromaticContact CE1-CZ 3.81Å; F16-F216 HydrophobicContact CE1-CZ 3.81Å; F16-F216 HydrophobicContact CG-CD2 4.25Å; F16-F216 AromaticContact CG-CE2 3.84Å; F16-F216 HydrophobicContact CG-CE2 3.84Å; F16-F216 HydrophobicContact CG-CZ 4.24Å; F16-F216 HydrophobicContact CZ-CZ 4.38Å; I33-F216 HydrophobicContact CD1-CE2 4.3Å; I33-F216 HydrophobicContact CD1-CZ 4.3Å; Y43-F216 HydrophobicContact CD1-CD2 4.2Å; Y43-F216 AromaticContact CD1-CE2 3.58Å; Y43-F216 HydrophobicContact CD1-CE2 3.58Å; Y43-F216 AromaticContact CD1-CZ 3.95Å; Y43-F216 HydrophobicContact CD1-CZ 3.95Å; Y43-F216 AromaticContact CE1-CD2 3.98Å; Y43-F216 HydrophobicContact CE1-CD2 3.98Å; Y43-F216 HydrophobicContact CE1-CE1 4.24Å; Y43-F216 AromaticContact CE1-CE2 3.63Å; Y43-F216 HydrophobicContact CE1-CE2 3.63Å; Y43-F216 HydrophobicContact CE1-CG 4.42Å; Y43-F216 AromaticContact CE1-CZ 3.78Å; Y43-F216 HydrophobicContact CE1-CZ 3.78Å; Y43-F216 WeakPolarHBondContact CE1-O 3.48Å; Y43-F216 PolarHBondContact OH-O 2.97Å; Q46-F216 HydrophobicContact CB-CD2 4.29Å; Q46-F216 HydrophobicContact CB-CE2 4.17Å; L165-F216 HydrophobicContact CD1-CE1 4.39Å; L165-F216 HydrophobicContact CD1-CZ 3.86Å; L169-F216 HydrophobicContact CD1-CE1 4.15Å; F173-F216 HydrophobicContact CE2-CD1 4.09Å; F173-F216 HydrophobicContact CE2-CE1 4.12Å; C212-F216 PolarHBondContact O-N 2.89Å; A213-F216 WeakPolarHBondContact O-CB 3.44Å; A213-F216 PolarHBondContact O-N 2.83Å; A214-F216 VanDerWaalsContact C-N 3.26Å; A214-F216 PolarHBondContact O-N 2.68Å
217V93.8Very high94.1Very high0 Ų013 Ų130%06%0.061CC..Hα-helixtrans-74.5-25.6-178.8177.30000112.4F173 V197 A213 A214 D219 C220 M280F173-V217 HydrophobicContact CD1-CG2 4.03Å; F173-V217 HydrophobicContact CD2-CG2 4.42Å; F173-V217 HydrophobicContact CE1-CG2 3.49Å; F173-V217 VanDerWaalsContact CE1-CG2 3.49Å; F173-V217 HydrophobicContact CE2-CG2 3.91Å; F173-V217 HydrophobicContact CG-CG2 4.49Å; F173-V217 HydrophobicContact CZ-CG2 3.41Å; F173-V217 VanDerWaalsContact CZ-CG2 3.41Å; V197-V217 HydrophobicContact CB-CG1 4.37Å; V197-V217 HydrophobicContact CG1-CG1 4.41Å; V197-V217 HydrophobicContact CG2-CG1 3.95Å; A213-V217 PolarHBondContact O-N 2.9Å; A214-V217 PolarHBondContact O-N 2.85Å; A214-V217 VanDerWaalsContact O-N 3.14Å; V217-D219 PolarHBondContact O-N 3.38Å; V217-D219 VanDerWaalsContact O-N 3.16Å; V217-C220 WeakPolarHBondContact O-CB 3.44Å; V217-C220 PolarHBondContact O-N 3.25Å; V217-M280 HydrophobicContact CG1-CE 4.08Å
218S96Very high94.1Very high0 Ų07.7 Ų7.70%04%0.041CC..Hα-helixtrans-60.7-27.6-175.473.40000113.6A214 A215 C220 H245 I247 Y262A214-S218 PolarHBondContact O-N 2.82Å; A215-S218 PolarHBondContact O-OG 3.37Å; S218-C220 PolarHBondContact O-N 3.33Å; S218-H245 PolarHBondContact O-CE1 3.49Å; S218-H245 PolarHBondContact OG-NE2 3.06Å; S218-I247 WeakPolarHBondContact OG-CD1 3.43Å; S218-Y262 WeakPolarHBondContact O-CE1 3.46Å; S218-Y262 PolarHBondContact O-OH 3.4Å
219D94.5Very high94.1Very high17 Ų178.8 Ų8.89%0.0915%0.053CC..THydrogen-bonded Turntrans-86.210.7176.7-167.849.5000112.3Y43 G44 G45 I48 V217 H245 Q293Y43-D219 HydrophobicContact CE2-CB 4.01Å; Y43-D219 VanDerWaalsContact CE2-OD2 3.26Å; Y43-D219 WeakPolarHBondContact CE2-OD2 3.45Å; Y43-D219 WeakPolarHBondContact OH-CB 3.48Å; Y43-D219 PolarHBondContact OH-O 3.1Å; G44-D219 VanDerWaalsContact C-OD2 3.3Å; G44-D219 WeakPolarHBondContact CA-OD2 3.46Å; G44-D219 PolarHBondContact N-OD2 3.21Å; G45-D219 PolarHBondContact N-OD2 2.82Å; I48-D219 HydrophobicContact CD1-CB 4.38Å; V217-D219 PolarHBondContact O-N 3.38Å; V217-D219 VanDerWaalsContact O-N 3.16Å; D219-H245 IonicContact OD1-ND1 2.72Å; D219-Q293 PolarHBondContact OD1-NE2 3.13Å
220C90.8Very high93.9Very high4 Ų412 Ų123%0.0277%0.067CC..SBendtrans-85.3152.7173.1-70.40000111Y43 V217 S218 M222 Y262Y43-C220 PolarHBondContact OH-N 2.65Å; Y43-C220 VanDerWaalsContact OH-N 3.09Å; Y43-C220 PolarHBondContact OH-SG 3.29Å; V217-C220 WeakPolarHBondContact O-CB 3.44Å; V217-C220 PolarHBondContact O-N 3.25Å; S218-C220 PolarHBondContact O-N 3.33Å; C220-M222 PolarHBondContact O-N 3.43Å; C220-Y262 WeakPolarHBondContact O-CE1 3.18Å
221F91.5Very high93.4Very high19 Ų1912 Ų128%0.0837%0.067CC..SBendtrans64.1-18.8170.1-36.8-53.7000117.4L169 V175 F183 Y193 C195 V197 P224 T225 Y262L169-F221 HydrophobicContact CD2-CE1 4.19Å; L169-F221 HydrophobicContact CD2-CZ 4.07Å; V175-F221 HydrophobicContact CG1-CE1 4.24Å; V175-F221 HydrophobicContact CG1-CZ 3.8Å; F183-F221 HydrophobicContact CE2-CD1 4.08Å; F183-F221 AromaticContact CE2-CE1 3.76Å; F183-F221 HydrophobicContact CE2-CE1 3.76Å; Y193-F221 HydrophobicContact CD1-CB 3.98Å; Y193-F221 HydrophobicContact CD1-CG 4.45Å; Y193-F221 HydrophobicContact CE1-CB 4.08Å; Y193-F221 HydrophobicContact CE1-CD1 4.31Å; Y193-F221 HydrophobicContact CE1-CG 4.09Å; C195-F221 HydrophobicContact CB-CD2 4.19Å; C195-F221 HydrophobicContact CB-CE2 4.04Å; C195-F221 HydrophobicContact CB-CZ 4.43Å; V197-F221 HydrophobicContact CG1-CE2 3.72Å; V197-F221 HydrophobicContact CG1-CZ 3.92Å; F221-P224 VanDerWaalsContact O-CD 3.32Å; F221-P224 WeakPolarHBondContact O-CD 3.39Å; F221-T225 PolarHBondContact O-N 2.93Å; F221-T225 VanDerWaalsContact O-N 3.09Å; F221-T225 PolarHBondContact O-OG1 3.44Å; F221-Y262 AromaticContact CD2-CD1 3.81Å; F221-Y262 HydrophobicContact CD2-CD1 3.81Å; F221-Y262 HydrophobicContact CE2-CD1 4.36Å
222M95Very high92.3Very high0 Ų015.4 Ų15.40%010%0.102CC..Hα-helixtrans-59.1-53.4-178.1-59.7-164.186.300112.6C220 T225 A226 H245 Y262 T264 V276 T291 Q293C220-M222 PolarHBondContact O-N 3.43Å; M222-T225 WeakPolarHBondContact O-CB 3.2Å; M222-T225 PolarHBondContact O-N 3.4Å; M222-T225 VanDerWaalsContact O-N 3.16Å; M222-A226 PolarHBondContact O-N 3.48Å; M222-H245 PolarHBondContact SD-CE1 3.39Å; M222-Y262 PolarHBondContact SD-OH 3.16Å; M222-T264 HydrophobicContact CG-CG2 4.22Å; M222-V276 HydrophobicContact CB-CB 4.35Å; M222-V276 HydrophobicContact CB-CG1 3.99Å; M222-V276 HydrophobicContact CE-CB 3.98Å; M222-V276 HydrophobicContact CE-CG1 3.86Å; M222-V276 VanDerWaalsContact CE-O 3.31Å; M222-V276 WeakPolarHBondContact CE-O 3.41Å; M222-V276 HydrophobicContact CG-CG1 4.43Å; M222-T291 WeakPolarHBondContact CE-OG1 3.26Å; M222-Q293 HydrophobicContact CE-CB 3.65Å; M222-Q293 HydrophobicContact SD-CB 3.58Å; M222-Q293 VanDerWaalsContact SD-CB 3.58Å; M222-Q293 HydrophobicContact SD-CG 4.43Å
223V92.5Very high91.4Very high26 Ų2617 Ų1716%0.15812%0.118CC..Hα-helixtrans-57-51.2178167.50000112.4T225 A226 L227 V240 V295V223-T225 VanDerWaalsContact C-N 3.29Å; V223-T225 PolarHBondContact O-N 2.96Å; V223-A226 PolarHBondContact O-N 2.8Å; V223-L227 HydrophobicContact CG1-CD1 4.36Å; V223-L227 PolarHBondContact O-N 3.06Å; V223-V240 HydrophobicContact CG1-CB 4.46Å; V223-V240 HydrophobicContact CG1-CG1 4.4Å; V223-V240 HydrophobicContact CG1-CG2 3.29Å; V223-V295 HydrophobicContact CB-CG1 4.49Å; V223-V295 HydrophobicContact CG1-CG1 4.3Å; V223-V295 HydrophobicContact CG2-CB 4.47Å; V223-V295 HydrophobicContact CG2-CG1 3.78Å; V223-V295 HydrophobicContact CG2-CG2 3.78Å
224P90.8Very high90.6Very high37 Ų3727 Ų2724%0.2416%0.162CC..Hα-helixtrans-52.5-41.7173.3-30.634.5000114.4L185 F221 A226 L227 M228L185-P224 HydrophobicContact CD1-CB 4.23Å; L185-P224 HydrophobicContact CD2-CB 4.38Å; F221-P224 VanDerWaalsContact O-CD 3.32Å; F221-P224 WeakPolarHBondContact O-CD 3.39Å; P224-A226 VanDerWaalsContact C-N 3.29Å; P224-A226 PolarHBondContact O-N 2.75Å; P224-L227 WeakPolarHBondContact O-CB 3.38Å; P224-L227 PolarHBondContact O-N 2.86Å; P224-M228 WeakPolarHBondContact O-CG 3.31Å; P224-M228 PolarHBondContact O-N 2.76Å
225T95.5Very high90Very high0 Ų030.3 Ų30.30%018%0.177CC..Hα-helixtrans-57.6-40.2-179.7-61.20000112.6P191 Y193 F221 M222 V223 L227 M228 T264 V276P191-T225 WeakPolarHBondContact O-CG2 3.43Å; Y193-T225 WeakPolarHBondContact CB-OG1 3.45Å; F221-T225 PolarHBondContact O-N 2.93Å; F221-T225 VanDerWaalsContact O-N 3.09Å; F221-T225 PolarHBondContact O-OG1 3.44Å; M222-T225 WeakPolarHBondContact O-CB 3.2Å; M222-T225 PolarHBondContact O-N 3.4Å; M222-T225 VanDerWaalsContact O-N 3.16Å; V223-T225 VanDerWaalsContact C-N 3.29Å; V223-T225 PolarHBondContact O-N 2.96Å; T225-L227 VanDerWaalsContact C-N 3.28Å; T225-L227 PolarHBondContact O-N 3.39Å; T225-M228 PolarHBondContact O-N 2.81Å; T225-T264 PolarHBondContact OG1-OG1 3.4Å; T225-V276 HydrophobicContact CG2-CG1 4.49Å
226A95.7Very high89.4Confident1 Ų136 Ų361%0.00820%0.201CC..Hα-helixtrans-67.7-24.7174.900000114M222 V223 P224 A274 V276 I297M222-A226 PolarHBondContact O-N 3.48Å; V223-A226 PolarHBondContact O-N 2.8Å; P224-A226 VanDerWaalsContact C-N 3.29Å; P224-A226 PolarHBondContact O-N 2.75Å; A226-A274 HydrophobicContact CB-CB 3.56Å; A226-V276 HydrophobicContact CB-CG2 3.8Å; A226-I297 HydrophobicContact CB-CD1 3.92Å
227L92.5Very high88.9Confident2 Ų237.3 Ų37.31%0.0121%0.208CC..Hα-helixtrans-84.4-19.1-179.2-66.1172.6000113.1L155 L185 V223 P224 T225 H230 V231 L237 I297L155-L227 HydrophobicContact CD1-CD1 4.27Å; L185-L227 HydrophobicContact CD1-CB 4.12Å; L185-L227 HydrophobicContact CD1-CD1 4.22Å; V223-L227 HydrophobicContact CG1-CD1 4.36Å; V223-L227 PolarHBondContact O-N 3.06Å; P224-L227 WeakPolarHBondContact O-CB 3.38Å; P224-L227 PolarHBondContact O-N 2.86Å; T225-L227 VanDerWaalsContact C-N 3.28Å; T225-L227 PolarHBondContact O-N 3.39Å; L227-H230 PolarHBondContact O-N 2.97Å; L227-V231 PolarHBondContact O-N 3.09Å; L227-L237 HydrophobicContact CD1-CD2 3.88Å; L227-L237 HydrophobicContact CD2-CD1 3.95Å; L227-L237 HydrophobicContact CD2-CD2 4.43Å; L227-I297 HydrophobicContact CD2-CD1 4Å; L227-I297 HydrophobicContact CD2-CG1 4.48Å; L227-I297 HydrophobicContact CD2-CG2 3.92Å
228M93.6Very high88.6Confident1 Ų139.5 Ų39.51%0.00523%0.231CC..G310 helixtrans-51.2-45.6-172.5-72.3-178.1-176.300114.8K182 L185 P188 S189 Y193 P224 T225 H230K182-M228 HydrophobicContact CB-CE 3.89Å; K182-M228 HydrophobicContact CB-SD 4.16Å; K182-M228 HydrophobicContact CD-SD 4.05Å; K182-M228 HydrophobicContact CG-SD 4.31Å; L185-M228 HydrophobicContact CD2-CB 4.47Å; L185-M228 HydrophobicContact CD2-CE 4.32Å; L185-M228 HydrophobicContact CD2-CG 3.57Å; P188-M228 WeakPolarHBondContact CA-O 3.2Å; S189-M228 PolarHBondContact N-O 3.09Å; S189-M228 CarbonylContact O-C 3.42Å; Y193-M228 HydrophobicContact CD1-CE 4.35Å; Y193-M228 HydrophobicContact CD2-CE 3.63Å; Y193-M228 HydrophobicContact CE2-CE 4.49Å; Y193-M228 HydrophobicContact CG-CE 3.56Å; P224-M228 WeakPolarHBondContact O-CG 3.31Å; P224-M228 PolarHBondContact O-N 2.76Å; T225-M228 PolarHBondContact O-N 2.81Å; M228-H230 PolarHBondContact O-N 2.88Å; M228-H230 VanDerWaalsContact O-N 3.15Å
229P93.9Very high88.1Confident53 Ų5343.2 Ų43.234%0.34425%0.249SC..G310 helixtrans-69.1-14.1-180-2135.1000114S189 P191S189-P229 VanDerWaalsContact O-CA 3.3Å; S189-P229 WeakPolarHBondContact O-CA 3.32Å; P191-P229 HydrophobicContact CB-CG 3.66Å; P191-P229 HydrophobicContact CG-CG 4Å
230H90.8Very high87.8Confident86 Ų8644.3 Ų44.340%0.39826%0.256SS..G310 helixtrans-1082.6-171-55.7-61.4000113.3L227 M228 F235L227-H230 PolarHBondContact O-N 2.97Å; M228-H230 PolarHBondContact O-N 2.88Å; M228-H230 VanDerWaalsContact O-N 3.15Å; H230-F235 HydrophobicContact CB-CD1 4.23Å
231V84Confident87.8Confident3 Ų345.9 Ų45.92%0.01827%0.266CS..THydrogen-bonded Turntrans-64.2142.5174.3175.10000110.8L185 P188 L227 G233L185-V231 HydrophobicContact CB-CG2 3.73Å; L185-V231 HydrophobicContact CD2-CG2 4.08Å; L185-V231 HydrophobicContact CG-CG2 4.41Å; L185-V231 WeakPolarHBondContact O-CG1 3.37Å; P188-V231 WeakPolarHBondContact CD-O 3.24Å; P188-V231 VanDerWaalsContact CG-O 3.29Å; P188-V231 WeakPolarHBondContact CG-O 3.34Å; L227-V231 PolarHBondContact O-N 3.09Å; V231-G233 PolarHBondContact O-N 3.39Å
232G74.6Confident88Confident70 Ų7046 Ų4672%0.72227%0.269SS*.THydrogen-bonded Turntrans72.7-10.4172.200000116
233G75.7Confident88.1Confident37 Ų3748.4 Ų48.438%0.38128%0.282SS..SBendtrans-74.4-170.7177.800000114.5V231 F235V231-G233 PolarHBondContact O-N 3.39Å; G233-F235 PolarHBondContact O-N 3.14Å
234K77Confident88.4Confident210 Ų21048.4 Ų48.491%0.91328%0.281SS*.SBendtrans-67-19.8171.6-66.3-175.9-178.6178.30112.7K236K234-K236 PolarHBondContact O-N 3.46Å
235F82Confident88.8Confident71 Ų7146.6 Ų46.631%0.31127%0.269SS..  trans-64.7130.6177.6179.5-103.8000110.6H230 G233 L237 I297 G299H230-F235 HydrophobicContact CB-CD1 4.23Å; G233-F235 PolarHBondContact O-N 3.14Å; F235-L237 HydrophobicContact CE1-CB 4.07Å; F235-L237 HydrophobicContact CE1-CD1 3.91Å; F235-L237 HydrophobicContact CZ-CD1 3.95Å; F235-I297 HydrophobicContact CE1-CG2 4.46Å; F235-I297 HydrophobicContact CZ-CG2 3.89Å; F235-G299 VanDerWaalsContact CE2-CA 3.4Å
236K84.1Confident89Confident119 Ų11947.3 Ų47.352%0.51727%0.274SS..  trans-118.4120.9171.3-59.2-59176.4-159.70107.6K234 G238 G299 Q300K234-K236 PolarHBondContact O-N 3.46Å; K236-G238 PolarHBondContact O-N 3Å; K236-G299 CarbonylContact O-C 3.59Å; K236-G299 WeakPolarHBondContact O-CA 3.08Å; K236-Q300 HydrophobicContact CB-CB 4.26Å; K236-Q300 HydrophobicContact CB-CG 4Å; K236-Q300 PolarHBondContact O-N 2.79Å
237L83.9Confident89.1Confident27 Ų2747.2 Ų47.214%0.14127%0.274CS..EExtended strand (participates in β ladder)trans-65124.1-178.7-173.862.6000110.1L155 L227 F235 V240 I297 Q300L155-L237 HydrophobicContact CD2-CB 4.45Å; L227-L237 HydrophobicContact CD1-CD2 3.88Å; L227-L237 HydrophobicContact CD2-CD1 3.95Å; L227-L237 HydrophobicContact CD2-CD2 4.43Å; F235-L237 HydrophobicContact CE1-CB 4.07Å; F235-L237 HydrophobicContact CE1-CD1 3.91Å; F235-L237 HydrophobicContact CZ-CD1 3.95Å; L237-V240 HydrophobicContact CD1-CB 4.2Å; L237-V240 HydrophobicContact CD2-CB 4.34Å; L237-V240 HydrophobicContact CD2-CG1 4Å; L237-I297 HydrophobicContact CD1-CG2 3.85Å; L237-Q300 WeakPolarHBondContact O-CG 3.3Å
238G85.7Confident89.4Confident47 Ų4751.6 Ų51.649%0.48529%0.29SS..EExtended strand (participates in β ladder)trans-104.6-51.7177.300000112.3K236 R298K236-G238 PolarHBondContact O-N 3Å; G238-R298 WeakPolarHBondContact CA-O 3.48Å; G238-R298 PolarHBondContact N-O 3.2Å
239M86.8Confident89.6Confident78 Ų7852.1 Ų52.138%0.38429%0.292SS..EExtended strand (participates in β ladder)trans-137137.7178.1177.5-178.6-72.700109.9L296 R298M239-L296 HydrophobicContact SD-CD2 4.11Å; M239-R298 HydrophobicContact CB-CB 4.27Å; M239-R298 PolarHBondContact N-O 2.79Å; M239-R298 PolarHBondContact O-N 2.88Å
240V88Confident89.8Confident39 Ų3954.1 Ų54.124%0.23630%0.297CS..EExtended strand (participates in β ladder)trans-139.7129.7169.164.60000110.3V223 L237 V295 L296 I297V223-V240 HydrophobicContact CG1-CB 4.46Å; V223-V240 HydrophobicContact CG1-CG1 4.4Å; V223-V240 HydrophobicContact CG1-CG2 3.29Å; L237-V240 HydrophobicContact CD1-CB 4.2Å; L237-V240 HydrophobicContact CD2-CB 4.34Å; L237-V240 HydrophobicContact CD2-CG1 4Å; V240-V295 HydrophobicContact CG2-CG1 3.63Å; V240-L296 VanDerWaalsContact CA-O 3.29Å; V240-L296 WeakPolarHBondContact CA-O 3.16Å; V240-I297 HydrophobicContact CG2-CG1 4.1Å
241V90.6Very high89.9Confident37 Ų3753.3 Ų53.322%0.22429%0.29CS..EExtended strand (participates in β ladder)trans-150.7144174.7-67.70000110V295 L296V241-V295 CarbonylContact O-C 3.57Å; V241-V295 WeakPolarHBondContact O-CA 3.41Å; V241-V295 WeakPolarHBondContact O-CG1 3.18Å; V241-L296 HydrophobicContact CG2-CB 3.8Å; V241-L296 HydrophobicContact CG2-CD2 3.91Å; V241-L296 HydrophobicContact CG2-CG 4.39Å; V241-L296 PolarHBondContact N-O 3.21Å; V241-L296 PolarHBondContact O-N 3.11Å
242S95.2Very high90.3Very high22 Ų2254.9 Ų54.915%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-71.3135.4166.2-50.60000109.6Q293S242-Q293 VanDerWaalsContact CB-NE2 3.33Å; S242-Q293 PolarHBondContact OG-NE2 3Å; S242-Q293 PolarHBondContact OG-OE1 2.93Å; S242-Q293 VanDerWaalsContact OG-OE1 3.13Å
243L97.8Very high91.1Very high50 Ų5056.7 Ų56.726%0.26229%0.293SS..  trans-91.3-35.9175.1-66.7177.6000111.1F72 R273 E294 L296F72-L243 PolarHBondContact N-O 2.84Å; L243-R273 HydrophobicContact CD1-CG 4.26Å; L243-E294 HydrophobicContact CB-CB 4.5Å; L243-E294 HydrophobicContact CD1-CG 4.14Å; L243-E294 PolarHBondContact N-O 3.27Å; L243-L296 HydrophobicContact CD1-CB 4.21Å; L243-L296 HydrophobicContact CD2-CB 4Å; L243-L296 HydrophobicContact CG-CB 4.02Å
244D98.6Very high92Very high26 Ų2655.5 Ų55.514%0.13928%0.278CS..EExtended strand (participates in β ladder)trans-144.2175177.46914.9000111.4C70 Y71 Q293 E294C70-D244 CarbonylContact O-C 3.56Å; C70-D244 WeakPolarHBondContact O-CA 3.18Å; C70-D244 WeakPolarHBondContact O-CB 3.43Å; Y71-D244 HydrophobicContact CD1-CB 3.78Å; Y71-D244 HydrophobicContact CE1-CB 4.04Å; D244-Q293 VanDerWaalsContact O-CG 3.3Å; D244-Q293 WeakPolarHBondContact O-CG 3.3Å; D244-Q293 PolarHBondContact O-NE2 3.46Å; D244-Q293 WeakPolarHBondContact OD1-CA 3.32Å; D244-E294 PolarHBondContact OD1-N 2.79Å
245H98.8Very high92.9Very high0 Ų049.2 Ų49.20%025%0.254CS..EExtended strand (participates in β ladder)trans-156.4128.5165.4-167.786.8000108.6I48 C70 F72 S218 D219 M222 Q293I48-H245 HydrophobicContact CD1-CB 3.66Å; I48-H245 VanDerWaalsContact CD1-CD2 3.49Å; I48-H245 WeakPolarHBondContact CD1-CD2 3.28Å; C70-H245 PolarHBondContact N-O 3.41Å; C70-H245 PolarHBondContact O-N 3.34Å; C70-H245 PolarHBondContact SG-O 3.42Å; F72-H245 HydrophobicContact CE2-CB 3.99Å; F72-H245 HydrophobicContact CZ-CB 4.39Å; S218-H245 PolarHBondContact O-CE1 3.49Å; S218-H245 PolarHBondContact OG-NE2 3.06Å; D219-H245 IonicContact OD1-ND1 2.72Å; M222-H245 PolarHBondContact SD-CE1 3.39Å; H245-Q293 PolarHBondContact ND1-NE2 3.34Å; H245-Q293 VanDerWaalsContact ND1-NE2 3.18Å
246S98.9Very high93.5Very high14 Ų1445.8 Ų45.810%0.09824%0.239CC..EExtended strand (participates in β ladder)trans-120.8143.1175.1-64.50000110.4L68 H69 T291 T292L68-S246 CarbonylContact O-C 3.52Å; L68-S246 VanDerWaalsContact O-CA 3.28Å; L68-S246 WeakPolarHBondContact O-CA 3.38Å; H69-S246 PolarHBondContact ND1-OG 3.06Å; S246-T291 WeakPolarHBondContact O-CA 3.22Å; S246-T292 PolarHBondContact N-O 3.21Å; S246-T292 PolarHBondContact O-N 2.7Å; S246-T292 VanDerWaalsContact O-N 3.08Å
247I98.8Very high94.1Very high0 Ų040.6 Ų40.60%022%0.217CC..EExtended strand (participates in β ladder)trans-130.4138.1176-44.8178.4000109.1I48 S67 L68 A215 S218 F249 F289 S290 T291I48-I247 HydrophobicContact CG2-CD1 4.29Å; S67-I247 CarbonylContact C-O 3.52Å; S67-I247 WeakPolarHBondContact CA-O 3.47Å; S67-I247 WeakPolarHBondContact CB-O 3.47Å; L68-I247 HydrophobicContact CD1-CB 4.44Å; L68-I247 HydrophobicContact CD1-CD1 4.24Å; L68-I247 HydrophobicContact CD1-CG1 3.98Å; L68-I247 HydrophobicContact CD2-CD1 4.02Å; L68-I247 HydrophobicContact CD2-CG1 4.43Å; L68-I247 HydrophobicContact CG-CB 4.08Å; L68-I247 HydrophobicContact CG-CD1 4.22Å; L68-I247 HydrophobicContact CG-CG1 4.08Å; L68-I247 PolarHBondContact N-O 2.71Å; L68-I247 PolarHBondContact O-N 2.78Å; A215-I247 HydrophobicContact CB-CD1 3.86Å; S218-I247 WeakPolarHBondContact OG-CD1 3.43Å; I247-F249 HydrophobicContact CB-CE2 4.11Å; I247-F249 HydrophobicContact CB-CZ 4.4Å; I247-F249 HydrophobicContact CD1-CZ 4.22Å; I247-F249 HydrophobicContact CG2-CD1 4.36Å; I247-F249 HydrophobicContact CG2-CD2 4.04Å; I247-F249 HydrophobicContact CG2-CE1 4Å; I247-F249 HydrophobicContact CG2-CE2 3.62Å; I247-F249 HydrophobicContact CG2-CG 4.39Å; I247-F249 HydrophobicContact CG2-CZ 3.61Å; I247-F289 HydrophobicContact CG2-CB 4.11Å; I247-F289 HydrophobicContact CG2-CD2 3.79Å; I247-F289 HydrophobicContact CG2-CE2 4.45Å; I247-F289 HydrophobicContact CG2-CG 4.12Å; I247-S290 CarbonylContact C-O 3.56Å; I247-S290 WeakPolarHBondContact CA-O 3.49Å; I247-T291 HydrophobicContact CG1-CG2 4.3Å; I247-T291 HydrophobicContact CG2-CG2 4.4Å
248W98.8Very high94.7Very high94 Ų9442.7 Ų42.736%0.35623%0.229SC..EExtended strand (participates in β ladder)trans-121.7112.4167.1-62.8-98.2000108.8H66 H69 H250 F289 S290H66-W248 CarbonylContact O-C 3.55Å; H66-W248 WeakPolarHBondContact O-CA 3.13Å; H69-W248 AromaticContact CE1-CE2 3.6Å; H69-W248 AromaticContact CE1-CZ2 3.37Å; H69-W248 WeakPolarHBondContact CE1-CZ2 3.37Å; H69-W248 AromaticContact CE1-NE1 3.73Å; W248-H250 PolarHBondContact O-NE2 3Å; W248-F289 CarbonylContact O-C 3.6Å; W248-F289 WeakPolarHBondContact O-CA 3.41Å; W248-F289 WeakPolarHBondContact O-CB 3.49Å; W248-S290 PolarHBondContact N-O 2.95Å; W248-S290 PolarHBondContact O-N 2.94Å
249F98.2Very high95.2Very high11 Ų1141.3 Ų41.35%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-85.7116.4176.3-64.2-81.5000109.8M52 H66 L211 A214 A215 I247 L254 F289M52-F249 HydrophobicContact CE-CD2 4.19Å; M52-F249 HydrophobicContact CE-CE2 3.26Å; M52-F249 HydrophobicContact CE-CZ 3.6Å; H66-F249 PolarHBondContact O-N 3.2Å; L211-F249 HydrophobicContact CD2-CB 4.29Å; L211-F249 HydrophobicContact CD2-CD1 3.32Å; L211-F249 HydrophobicContact CD2-CD2 4.32Å; L211-F249 HydrophobicContact CD2-CE1 3.59Å; L211-F249 HydrophobicContact CD2-CG 3.72Å; L211-F249 HydrophobicContact CD2-CZ 4.21Å; A214-F249 HydrophobicContact CB-CE1 4.3Å; A215-F249 HydrophobicContact CB-CZ 4.27Å; I247-F249 HydrophobicContact CB-CE2 4.11Å; I247-F249 HydrophobicContact CB-CZ 4.4Å; I247-F249 HydrophobicContact CD1-CZ 4.22Å; I247-F249 HydrophobicContact CG2-CD1 4.36Å; I247-F249 HydrophobicContact CG2-CD2 4.04Å; I247-F249 HydrophobicContact CG2-CE1 4Å; I247-F249 HydrophobicContact CG2-CE2 3.62Å; I247-F249 HydrophobicContact CG2-CG 4.39Å; I247-F249 HydrophobicContact CG2-CZ 3.61Å; F249-L254 HydrophobicContact CD1-CD2 4.37Å; F249-F289 HydrophobicContact CD1-CB 3.74Å; F249-F289 HydrophobicContact CD1-CD1 4.09Å; F249-F289 HydrophobicContact CD1-CG 4.16Å; F249-F289 HydrophobicContact CE1-CB 4.22Å; F249-F289 AromaticContact CE1-CD1 3.95Å; F249-F289 HydrophobicContact CE1-CD1 3.95Å; F249-F289 HydrophobicContact CE1-CG 4.17Å; F249-F289 HydrophobicContact CG-CB 4.32Å
250H97.2Very high95.8Very high95 Ų9537.7 Ų37.744%0.4419%0.191SC..SBendtrans-92-35.3179.1-49.7-58.3000111.1W248 I288 S290W248-H250 PolarHBondContact O-NE2 3Å; H250-I288 PolarHBondContact N-O 3.17Å; H250-S290 PolarHBondContact NE2-N 3.38Å; H250-S290 PolarHBondContact NE2-OG 2.85Å
251R94.1Very high96.3Very high70 Ų7035.9 Ų35.926%0.26418%0.18SC..  trans-129.593.4-178.3-62.1-168.5-175.1-85.50.3111.2D253 I288R251-D253 WeakPolarHBondContact CB-OD1 3.39Å; R251-D253 PolarHBondContact O-N 3.16Å; R251-I288 PolarHBondContact N-O 3.17Å
252P91.6Very high96.7Very high36 Ų3634.1 Ų34.123%0.23417%0.169CC..THydrogen-bonded Turntrans-83.415.4-173.632-33.2000114.3L64 R207 L211L64-P252 HydrophobicContact CB-CB 4.43Å; L64-P252 HydrophobicContact CD1-CB 4.03Å; L64-P252 HydrophobicContact CD1-CG 4.35Å; R207-P252 PolarHBondContact NE-O 2.94Å; R207-P252 VanDerWaalsContact NE-O 3.15Å; L211-P252 HydrophobicContact CD1-CB 3.99Å; L211-P252 HydrophobicContact CD2-CB 4.19Å
253D91.6Very high96.8Very high107 Ų10734.2 Ų34.257%0.57217%0.167SC*.THydrogen-bonded Turntrans-101.712.8173.258.3-35.1000112.7R251R251-D253 WeakPolarHBondContact CB-OD1 3.39Å; R251-D253 PolarHBondContact O-N 3.16Å
254L94.7Very high96.9Very high13 Ų1331.9 Ų31.97%0.06816%0.155CC..  trans-57.2148.1175.377.993.9000112.7N210 L211 A214 F249 V256 M260 I288N210-L254 HydrophobicContact CB-CD1 4.06Å; N210-L254 WeakPolarHBondContact CB-O 3.21Å; L211-L254 HydrophobicContact CD2-CD2 3.85Å; A214-L254 HydrophobicContact CB-CD1 3.94Å; A214-L254 HydrophobicContact CB-CD2 3.95Å; F249-L254 HydrophobicContact CD1-CD2 4.37Å; L254-V256 HydrophobicContact CD1-CB 4.47Å; L254-V256 HydrophobicContact CD1-CG1 3.39Å; L254-M260 HydrophobicContact CD1-SD 4.32Å; L254-I288 HydrophobicContact CB-CD1 4.31Å; L254-I288 HydrophobicContact CB-CG2 3.48Å; L254-I288 VanDerWaalsContact CB-CG2 3.48Å; L254-I288 HydrophobicContact CD2-CG2 3.36Å; L254-I288 HydrophobicContact CG-CG2 4Å
255L95.4Very high96.9Very high77 Ų7733.7 Ų33.740%0.40316%0.163SC..  trans-116.2114.5169.3-63.8177000109.1N210 D257 D258N210-L255 WeakPolarHBondContact OD1-CA 3.21Å; L255-D257 PolarHBondContact O-N 2.81Å; L255-D258 HydrophobicContact CB-CB 4.4Å; L255-D258 PolarHBondContact O-N 3.36Å; L255-D258 VanDerWaalsContact O-N 3.11Å
256V94.9Very high96.9Very high0 Ų034.2 Ų34.20%017%0.167CC..THydrogen-bonded Turntrans-71.5-14.1-179.3-62.40000112.9F199 I203 N210 A213 A214 L254 D258 M260F199-V256 HydrophobicContact CB-CG2 4.15Å; F199-V256 WeakPolarHBondContact CB-O 3.07Å; F199-V256 PolarHBondContact N-O 2.94Å; I203-V256 HydrophobicContact CB-CG2 4.3Å; I203-V256 HydrophobicContact CD1-CG2 3.58Å; I203-V256 HydrophobicContact CG1-CG2 4.5Å; I203-V256 HydrophobicContact CG2-CG2 3.72Å; N210-V256 VanDerWaalsContact O-CG1 3.27Å; N210-V256 WeakPolarHBondContact O-CG1 3.29Å; N210-V256 PolarHBondContact OD1-N 3.23Å; A213-V256 HydrophobicContact CB-CB 4.34Å; A213-V256 HydrophobicContact CB-CG1 3.97Å; A213-V256 HydrophobicContact CB-CG2 3.71Å; A214-V256 HydrophobicContact CB-CG1 3.93Å; L254-V256 HydrophobicContact CD1-CB 4.47Å; L254-V256 HydrophobicContact CD1-CG1 3.39Å; V256-D258 VanDerWaalsContact C-N 3.29Å; V256-M260 HydrophobicContact CB-CE 4.03Å; V256-M260 HydrophobicContact CG1-CE 3.98Å; V256-M260 HydrophobicContact CG1-SD 4.46Å
257D95.4Very high96.8Very high9 Ų937 Ų375%0.04819%0.186CC..THydrogen-bonded Turntrans-85.71.6173.171.241.5000114.3K198 F199 E201 K202 I203 L255K198-D257 VanDerWaalsContact CD-O 3.25Å; K198-D257 WeakPolarHBondContact CD-O 3.48Å; K198-D257 VanDerWaalsContact CG-C 3.46Å; K198-D257 WeakPolarHBondContact CG-O 3.42Å; F199-D257 HydrophobicContact CB-CB 4.14Å; E201-D257 WeakPolarHBondContact O-CB 3.29Å; K202-D257 VanDerWaalsContact CA-OD2 3.28Å; K202-D257 WeakPolarHBondContact CA-OD2 3.49Å; K202-D257 HydrophobicContact CD-CB 4.39Å; K202-D257 WeakPolarHBondContact CD-OD2 3.44Å; K202-D257 IonicContact NZ-OD1 3.85Å; K202-D257 PolarHBondContact NZ-OD1 3.26Å; K202-D257 IonicContact NZ-OD2 2.94Å; I203-D257 HydrophobicContact CG2-CB 4.28Å; I203-D257 PolarHBondContact N-OD2 3.03Å; L255-D257 PolarHBondContact O-N 2.81Å
258D96.6Very high96.8Very high72 Ų7241.8 Ų41.839%0.38521%0.21SC..SBendtrans-101.7158.7164.3-157.24.4000111.2L255 V256 M260L255-D258 HydrophobicContact CB-CB 4.4Å; L255-D258 PolarHBondContact O-N 3.36Å; L255-D258 VanDerWaalsContact O-N 3.11Å; V256-D258 VanDerWaalsContact C-N 3.29Å; D258-M260 PolarHBondContact O-N 3.46Å
259W97.8Very high96.7Very high18 Ų1839.8 Ų39.87%0.06821%0.214CC..  trans-64.2124.3-176.9-78.9112.5000111.4P136 D174 R176 W196 K198 R283P136-W259 HydrophobicContact CB-CD2 3.57Å; P136-W259 HydrophobicContact CB-CE3 3.75Å; P136-W259 HydrophobicContact CB-CG 4.14Å; P136-W259 HydrophobicContact CB-CH2 4.06Å; P136-W259 HydrophobicContact CB-CZ2 3.9Å; P136-W259 HydrophobicContact CB-CZ3 3.99Å; P136-W259 HydrophobicContact CG-CB 4.17Å; P136-W259 HydrophobicContact CG-CD2 3.59Å; P136-W259 HydrophobicContact CG-CE3 4.16Å; P136-W259 HydrophobicContact CG-CG 3.58Å; D174-W259 HydrophobicContact CB-CH2 3.85Å; D174-W259 WeakPolarHBondContact OD1-CH2 3.42Å; R176-W259 HydrophobicContact CG-CH2 3.77Å; R176-W259 HydrophobicContact CG-CZ3 4.2Å; R176-W259 VanDerWaalsContact NE-CH2 3.3Å; W196-W259 HydrophobicContact CB-CE3 3.76Å; W196-W259 HydrophobicContact CB-CZ3 3.78Å; W196-W259 HydrophobicContact CE3-CB 4Å; W196-W259 HydrophobicContact CE3-CE3 4.4Å; W196-W259 HydrophobicContact CZ3-CB 4.11Å; K198-W259 HydrophobicContact CB-CD2 3.83Å; K198-W259 HydrophobicContact CB-CE3 3.54Å; K198-W259 HydrophobicContact CB-CG 4.48Å; K198-W259 HydrophobicContact CB-CH2 4.15Å; K198-W259 HydrophobicContact CB-CZ2 4.41Å; K198-W259 HydrophobicContact CB-CZ3 3.71Å; K198-W259 HydrophobicContact CD-CD2 3.84Å; K198-W259 HydrophobicContact CD-CE3 4.43Å; K198-W259 HydrophobicContact CD-CG 3.93Å; K198-W259 HydrophobicContact CD-CZ2 4.3Å; K198-W259 HydrophobicContact CG-CD2 4.37Å; W259-R283 HydrophobicContact CB-CB 4.29Å; W259-R283 PolarHBondContact O-N 3.12Å; W259-R283 VanDerWaalsContact O-N 3.1Å
260M98.2Very high96.6Very high2 Ų241.9 Ų41.91%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-119.2136.7171.3-55.5177.7-66.800109.9W196 V197 L254 V256 D258 M280 W281 I288W196-M260 CarbonylContact C-O 3.43Å; W196-M260 WeakPolarHBondContact CA-O 3.35Å; W196-M260 VanDerWaalsContact CE3-C 3.48Å; V197-M260 HydrophobicContact CG2-CB 4.23Å; V197-M260 HydrophobicContact CG2-CE 4.27Å; V197-M260 PolarHBondContact N-O 3.24Å; V197-M260 PolarHBondContact O-N 2.94Å; L254-M260 HydrophobicContact CD1-SD 4.32Å; V256-M260 HydrophobicContact CB-CE 4.03Å; V256-M260 HydrophobicContact CG1-CE 3.98Å; V256-M260 HydrophobicContact CG1-SD 4.46Å; D258-M260 PolarHBondContact O-N 3.46Å; M260-M280 HydrophobicContact CB-CG 4.04Å; M260-M280 HydrophobicContact CB-SD 3.59Å; M260-M280 VanDerWaalsContact CB-SD 3.59Å; M260-M280 HydrophobicContact SD-CG 4.16Å; M260-M280 HydrophobicContact SD-SD 4.41Å; M260-W281 CarbonylContact C-O 3.45Å; M260-W281 WeakPolarHBondContact CA-O 3.46Å; M260-W281 WeakPolarHBondContact CB-O 3.21Å; M260-I288 HydrophobicContact CG-CD1 3.85Å; M260-I288 HydrophobicContact SD-CD1 3.93Å
261L98.7Very high96.6Very high0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-97.8114.9174.3177.166.3000108.9M130 P131 V133 V178 M194 W196 W281M130-L261 HydrophobicContact CG-CD2 4.17Å; M130-L261 HydrophobicContact SD-CD2 4.23Å; P131-L261 HydrophobicContact CG-CD2 4.11Å; V133-L261 HydrophobicContact CG1-CD2 4.5Å; V133-L261 HydrophobicContact CG2-CD1 3.98Å; V133-L261 HydrophobicContact CG2-CD2 3.56Å; V133-L261 HydrophobicContact CG2-CG 4.42Å; V178-L261 HydrophobicContact CG2-CD1 4.34Å; M194-L261 HydrophobicContact CB-CD1 4.11Å; W196-L261 HydrophobicContact CD2-CB 3.99Å; W196-L261 HydrophobicContact CD2-CD1 3.9Å; W196-L261 HydrophobicContact CE3-CB 3.72Å; W196-L261 HydrophobicContact CE3-CD1 4.48Å; W196-L261 HydrophobicContact CG-CD1 4.09Å; W196-L261 HydrophobicContact CH2-CB 3.76Å; W196-L261 HydrophobicContact CZ2-CB 4.03Å; W196-L261 HydrophobicContact CZ2-CD1 4.26Å; W196-L261 HydrophobicContact CZ2-CD2 4.23Å; W196-L261 HydrophobicContact CZ2-CG 4.42Å; W196-L261 HydrophobicContact CZ3-CB 3.6Å; L261-W281 HydrophobicContact CB-CB 4.22Å; L261-W281 PolarHBondContact N-O 3.31Å; L261-W281 PolarHBondContact O-N 3.47Å
262Y98.6Very high96.7Very high1 Ų143.7 Ų43.70%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-91.9110.5172.5-160.4-172.5000110.4M194 C195 S218 C220 F221 M222 T264 M280 T291M194-Y262 WeakPolarHBondContact CA-O 3.32Å; C195-Y262 PolarHBondContact N-O 3.33Å; C195-Y262 PolarHBondContact O-N 3.26Å; S218-Y262 WeakPolarHBondContact O-CE1 3.46Å; S218-Y262 PolarHBondContact O-OH 3.4Å; C220-Y262 WeakPolarHBondContact O-CE1 3.18Å; F221-Y262 AromaticContact CD2-CD1 3.81Å; F221-Y262 HydrophobicContact CD2-CD1 3.81Å; F221-Y262 HydrophobicContact CE2-CD1 4.36Å; M222-Y262 PolarHBondContact SD-OH 3.16Å; Y262-T264 HydrophobicContact CD1-CG2 4.41Å; Y262-T264 HydrophobicContact CD2-CG2 4.09Å; Y262-T264 HydrophobicContact CE1-CG2 4.1Å; Y262-T264 HydrophobicContact CE2-CG2 3.81Å; Y262-T264 HydrophobicContact CG-CG2 4.39Å; Y262-M280 HydrophobicContact CD1-CE 3.79Å; Y262-M280 HydrophobicContact CD2-CB 4.49Å; Y262-M280 HydrophobicContact CD2-CE 4.02Å; Y262-M280 HydrophobicContact CD2-SD 4.37Å; Y262-M280 HydrophobicContact CE1-CE 4.39Å; Y262-M280 HydrophobicContact CG-CE 3.6Å; Y262-M280 HydrophobicContact CG-SD 4.09Å; Y262-T291 PolarHBondContact OH-OG1 3.24Å
263E98.7Very high97Very high23 Ų2346.8 Ų46.811%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-93.1131171.4-174.3-162.5173.900109.1P131 Y193 M194 G278 R279 W281P131-E263 HydrophobicContact CG-CG 4.29Å; Y193-E263 CarbonylContact O-C 3.58Å; Y193-E263 WeakPolarHBondContact O-CA 3.5Å; M194-E263 HydrophobicContact CE-CG 3.56Å; M194-E263 HydrophobicContact CG-CB 4.49Å; M194-E263 HydrophobicContact CG-CG 4.28Å; E263-G278 CarbonylContact O-C 3.58Å; E263-G278 WeakPolarHBondContact O-CA 3.41Å; E263-R279 HydrophobicContact CB-CB 4.28Å; E263-R279 PolarHBondContact N-O 2.81Å; E263-R279 PolarHBondContact O-N 3.4Å; E263-R279 IonicContact OE1-NH1 3.85Å; E263-R279 PolarHBondContact OE1-NH1 2.83Å; E263-R279 WeakPolarHBondContact OE2-CD 3.14Å; E263-R279 IonicContact OE2-NH1 2.73Å; E263-W281 PolarHBondContact OE2-NE1 2.98Å
264T98.7Very high97.3Very high2 Ų241.8 Ų41.81%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-133.8145.3174.156.50000111T192 Y193 M222 T225 Y262 H277T192-T264 CarbonylContact C-O 3.58Å; T192-T264 WeakPolarHBondContact CA-O 3.36Å; Y193-T264 PolarHBondContact N-O 2.73Å; Y193-T264 PolarHBondContact O-N 2.83Å; Y193-T264 PolarHBondContact O-OG1 2.79Å; M222-T264 HydrophobicContact CG-CG2 4.22Å; T225-T264 PolarHBondContact OG1-OG1 3.4Å; Y262-T264 HydrophobicContact CD1-CG2 4.41Å; Y262-T264 HydrophobicContact CD2-CG2 4.09Å; Y262-T264 HydrophobicContact CE1-CG2 4.1Å; Y262-T264 HydrophobicContact CE2-CG2 3.81Å; Y262-T264 HydrophobicContact CG-CG2 4.39Å; T264-H277 CarbonylContact C-O 3.58Å; T264-H277 VanDerWaalsContact CA-O 3.24Å; T264-H277 WeakPolarHBondContact CA-O 3.38Å
265E98.5Very high97.5Very high63 Ų6343.6 Ų43.629%0.29425%0.246SC..EExtended strand (participates in β ladder)trans-142135.8176.864.7-179.8146.700111.2P191 T192 V276 H277 R279P191-E265 CarbonylContact O-C 3.43Å; P191-E265 VanDerWaalsContact O-CA 3.28Å; P191-E265 WeakPolarHBondContact O-CA 3.35Å; T192-E265 HydrophobicContact CG2-CB 4.3Å; E265-V276 CarbonylContact O-C 3.59Å; E265-V276 WeakPolarHBondContact O-CA 3.48Å; E265-V276 WeakPolarHBondContact O-CG1 3.28Å; E265-H277 HydrophobicContact CG-CB 4.04Å; E265-H277 PolarHBondContact N-O 2.99Å; E265-H277 PolarHBondContact O-N 3.12Å; E265-R279 IonicContact OE1-CZ 2.99Å; E265-R279 IonicContact OE1-NH1 3.2Å; E265-R279 PolarHBondContact OE1-NH1 2.88Å; E265-R279 IonicContact OE1-NH2 3.45Å; E265-R279 PolarHBondContact OE1-NH2 3.45Å
266S98.7Very high97.7Very high12 Ų1239.9 Ų39.98%0.08423%0.227CC..EExtended strand (participates in β ladder)trans-96.2118.3169.4-162.80000109.6P191 L275P191-S266 WeakPolarHBondContact CG-O 3.14Å; P191-S266 PolarHBondContact O-N 2.83Å; S266-L275 CarbonylContact C-O 3.6Å; S266-L275 VanDerWaalsContact CA-O 3.27Å; S266-L275 WeakPolarHBondContact CA-O 3.43Å; S266-L275 PolarHBondContact OG-O 3.35Å; S266-L275 VanDerWaalsContact OG-O 3.12Å
267S97.4Very high97.8Very high73 Ų7342.6 Ų42.651%0.5124%0.239SC..EExtended strand (participates in β ladder)trans-84.1-27.9-177.960.20000113.1L275 H277S267-L275 PolarHBondContact N-O 3.05Å; S267-H277 PolarHBondContact OG-CE1 2.86Å
268I98.4Very high98Very high99 Ų9942.3 Ų42.351%0.50824%0.239SC..EExtended strand (participates in β ladder)trans-154.8145-179.4-171.7166.3000110.9A270 A274 L275I268-A270 HydrophobicContact CD1-CB 4.27Å; I268-A270 HydrophobicContact CG1-CB 4.16Å; I268-A274 CarbonylContact O-C 3.45Å; I268-A274 VanDerWaalsContact O-CA 3.22Å; I268-A274 WeakPolarHBondContact O-CA 3.37Å; I268-L275 HydrophobicContact CG2-CB 3.92Å; I268-L275 PolarHBondContact O-N 3.31Å
269A97.5Very high98.1Very high52 Ų5242.3 Ų42.343%0.4323%0.234SC..EExtended strand (participates in β ladder)trans-131.8108.8164.300000108.9R273 A274A269-R273 CarbonylContact C-O 3.58Å; A269-R273 VanDerWaalsContact CA-O 3.26Å; A269-R273 WeakPolarHBondContact CA-O 3.49Å; A269-A274 HydrophobicContact CB-CB 3.98Å
270A96.7Very high98.2Very high55 Ų5541.4 Ų41.446%0.45523%0.23SC..EExtended strand (participates in β ladder)trans-156.2157.3-177.600000110.4I268 S272 R273I268-A270 HydrophobicContact CD1-CB 4.27Å; I268-A270 HydrophobicContact CG1-CB 4.16Å; A270-S272 VanDerWaalsContact C-N 3.29Å; A270-S272 PolarHBondContact O-N 3.21Å; A270-R273 PolarHBondContact N-O 3.46Å; A270-R273 PolarHBondContact O-N 3.11Å
271N96.2Very high98.2Very high139 Ų13941.3 Ų41.374%0.74323%0.23SC*.THydrogen-bonded Turntrans53.443.4178.9-165.329.2000113.5R273N271-R273 PolarHBondContact O-N 3.17Å; N271-R273 VanDerWaalsContact O-N 3.14Å
272S95.9Very high98.1Very high64 Ų6442.4 Ų42.445%0.44824%0.238SC..THydrogen-bonded Turntrans58.818-175.8-510000115.1A270 L296 I297A270-S272 VanDerWaalsContact C-N 3.29Å; A270-S272 PolarHBondContact O-N 3.21Å; S272-L296 WeakPolarHBondContact O-CD1 3.29Å; S272-I297 CarbonylContact C-O 3.51Å; S272-I297 WeakPolarHBondContact CA-O 3.48Å; S272-I297 WeakPolarHBondContact CB-O 3.34Å; S272-I297 PolarHBondContact O-N 3.47Å; S272-I297 VanDerWaalsContact O-O 3.04Å
273R98Very high98Very high102 Ų10246.5 Ų46.539%0.38525%0.253SS..EExtended strand (participates in β ladder)trans-128.6157.7176.9-60.3-177-56.7161.97.3110.6L243 A269 A270 N271 E294 V295 L296L243-R273 HydrophobicContact CD1-CG 4.26Å; A269-R273 CarbonylContact C-O 3.58Å; A269-R273 VanDerWaalsContact CA-O 3.26Å; A269-R273 WeakPolarHBondContact CA-O 3.49Å; A270-R273 PolarHBondContact N-O 3.46Å; A270-R273 PolarHBondContact O-N 3.11Å; N271-R273 PolarHBondContact O-N 3.17Å; N271-R273 VanDerWaalsContact O-N 3.14Å; R273-E294 HydrophobicContact CB-CG 4.23Å; R273-E294 WeakPolarHBondContact CD-OE1 3.33Å; R273-E294 WeakPolarHBondContact CD-OE2 3.27Å; R273-E294 IonicContact CZ-OE1 3.17Å; R273-E294 IonicContact CZ-OE2 2.84Å; R273-E294 IonicContact NE-OE1 3.11Å; R273-E294 PolarHBondContact NE-OE1 3.32Å; R273-E294 IonicContact NE-OE2 3.4Å; R273-E294 IonicContact NH1-OE1 2.7Å; R273-E294 PolarHBondContact NH1-OE1 2.82Å; R273-E294 IonicContact NH1-OE2 2.79Å; R273-E294 PolarHBondContact NH1-OE2 3.28Å; R273-E294 IonicContact NH2-OE1 3.21Å; R273-E294 PolarHBondContact NH2-OE1 3.47Å; R273-V295 CarbonylContact C-O 3.59Å; R273-V295 WeakPolarHBondContact CA-O 3.44Å; R273-L296 HydrophobicContact CG-CD1 4.37Å
274A98.5Very high97.8Very high2 Ų251.2 Ų51.22%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-131.7146.116800000110.2A226 I268 A269 E294 V295 I297A226-A274 HydrophobicContact CB-CB 3.56Å; I268-A274 CarbonylContact O-C 3.45Å; I268-A274 VanDerWaalsContact O-CA 3.22Å; I268-A274 WeakPolarHBondContact O-CA 3.37Å; A269-A274 HydrophobicContact CB-CB 3.98Å; A274-E294 CarbonylContact O-C 3.47Å; A274-E294 WeakPolarHBondContact O-CA 3.42Å; A274-V295 PolarHBondContact N-O 3.15Å; A274-V295 PolarHBondContact O-N 2.98Å; A274-I297 HydrophobicContact CB-CD1 3.8Å
275L98.8Very high97.7Very high50 Ų5052.9 Ų52.926%0.26229%0.293SS..EExtended strand (participates in β ladder)trans-109124.1174.8-177.166.6000109.3S266 S267 I268 T292S266-L275 CarbonylContact C-O 3.6Å; S266-L275 VanDerWaalsContact CA-O 3.27Å; S266-L275 WeakPolarHBondContact CA-O 3.43Å; S266-L275 PolarHBondContact OG-O 3.35Å; S266-L275 VanDerWaalsContact OG-O 3.12Å; S267-L275 PolarHBondContact N-O 3.05Å; I268-L275 HydrophobicContact CG2-CB 3.92Å; I268-L275 PolarHBondContact O-N 3.31Å; L275-T292 HydrophobicContact CD1-CG2 3.6Å; L275-T292 HydrophobicContact CG-CG2 4.46Å
276V98.9Very high97.6Very high0 Ų055.7 Ų55.70%030%0.301CS..EExtended strand (participates in β ladder)trans-119131.5-178.7-169.80000109.6M222 T225 A226 E265 T292 Q293 V295M222-V276 HydrophobicContact CB-CB 4.35Å; M222-V276 HydrophobicContact CB-CG1 3.99Å; M222-V276 HydrophobicContact CE-CB 3.98Å; M222-V276 HydrophobicContact CE-CG1 3.86Å; M222-V276 VanDerWaalsContact CE-O 3.31Å; M222-V276 WeakPolarHBondContact CE-O 3.41Å; M222-V276 HydrophobicContact CG-CG1 4.43Å; T225-V276 HydrophobicContact CG2-CG1 4.49Å; A226-V276 HydrophobicContact CB-CG2 3.8Å; E265-V276 CarbonylContact O-C 3.59Å; E265-V276 WeakPolarHBondContact O-CA 3.48Å; E265-V276 WeakPolarHBondContact O-CG1 3.28Å; V276-T292 CarbonylContact O-C 3.6Å; V276-T292 WeakPolarHBondContact O-CA 3.44Å; V276-Q293 PolarHBondContact N-O 2.88Å; V276-Q293 PolarHBondContact O-N 3.21Å; V276-V295 HydrophobicContact CG2-CG2 4.37Å
277H98.8Very high97.6Very high56 Ų5656 Ų5626%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-106.3152.5171.6-56.690.1000109.1T264 E265 S267 T291T264-H277 CarbonylContact C-O 3.58Å; T264-H277 VanDerWaalsContact CA-O 3.24Å; T264-H277 WeakPolarHBondContact CA-O 3.38Å; E265-H277 HydrophobicContact CG-CB 4.04Å; E265-H277 PolarHBondContact N-O 2.99Å; E265-H277 PolarHBondContact O-N 3.12Å; S267-H277 PolarHBondContact OG-CE1 2.86Å; H277-T291 CarbonylContact C-O 3.53Å; H277-T291 WeakPolarHBondContact CA-O 3.41Å
278G98.8Very high97.7Very high4 Ų452.9 Ų52.94%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-145154173.400000113.4E263 S290 T291E263-G278 CarbonylContact O-C 3.58Å; E263-G278 WeakPolarHBondContact O-CA 3.41Å; G278-S290 CarbonylContact O-C 3.47Å; G278-S290 WeakPolarHBondContact O-CA 3.01Å; G278-T291 WeakPolarHBondContact CA-OG1 3.14Å; G278-T291 PolarHBondContact N-O 2.59Å; G278-T291 PolarHBondContact N-OG1 3.04Å; G278-T291 PolarHBondContact O-N 2.99Å; G278-T291 PolarHBondContact O-OG1 3.44Å
279R98.8Very high97.7Very high71 Ų7148.2 Ų48.227%0.26826%0.256SS..EExtended strand (participates in β ladder)trans-134.2117.7178.8-62.9-176.9-165.896.813107.7E263 E265 W281 L287E263-R279 HydrophobicContact CB-CB 4.28Å; E263-R279 PolarHBondContact N-O 2.81Å; E263-R279 PolarHBondContact O-N 3.4Å; E263-R279 IonicContact OE1-NH1 3.85Å; E263-R279 PolarHBondContact OE1-NH1 2.83Å; E263-R279 WeakPolarHBondContact OE2-CD 3.14Å; E263-R279 IonicContact OE2-NH1 2.73Å; E265-R279 IonicContact OE1-CZ 2.99Å; E265-R279 IonicContact OE1-NH1 3.2Å; E265-R279 PolarHBondContact OE1-NH1 2.88Å; E265-R279 IonicContact OE1-NH2 3.45Å; E265-R279 PolarHBondContact OE1-NH2 3.45Å; R279-W281 HydrophobicContact CB-CZ2 4.17Å; R279-L287 HydrophobicContact CB-CD1 3.63Å; R279-L287 HydrophobicContact CG-CD1 4.15Å
280M98.6Very high97.7Very high0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-94.1117173.4-172.173.770.900108.6V197 V217 M260 Y262 I288 F289V197-M280 HydrophobicContact CG2-CE 4.29Å; V197-M280 HydrophobicContact CG2-SD 4.14Å; V217-M280 HydrophobicContact CG1-CE 4.08Å; M260-M280 HydrophobicContact CB-CG 4.04Å; M260-M280 HydrophobicContact CB-SD 3.59Å; M260-M280 VanDerWaalsContact CB-SD 3.59Å; M260-M280 HydrophobicContact SD-CG 4.16Å; M260-M280 HydrophobicContact SD-SD 4.41Å; Y262-M280 HydrophobicContact CD1-CE 3.79Å; Y262-M280 HydrophobicContact CD2-CB 4.49Å; Y262-M280 HydrophobicContact CD2-CE 4.02Å; Y262-M280 HydrophobicContact CD2-SD 4.37Å; Y262-M280 HydrophobicContact CE1-CE 4.39Å; Y262-M280 HydrophobicContact CG-CE 3.6Å; Y262-M280 HydrophobicContact CG-SD 4.09Å; M280-I288 HydrophobicContact CG-CD1 4.37Å; M280-I288 WeakPolarHBondContact O-CB 3.4Å; M280-I288 PolarHBondContact O-N 3.28Å; M280-F289 HydrophobicContact CB-CD1 3.64Å; M280-F289 HydrophobicContact CB-CD2 3.8Å; M280-F289 HydrophobicContact CB-CE1 3.4Å; M280-F289 HydrophobicContact CB-CE2 3.57Å; M280-F289 HydrophobicContact CB-CG 3.85Å; M280-F289 HydrophobicContact CB-CZ 3.39Å; M280-F289 HydrophobicContact CE-CE1 3.95Å; M280-F289 HydrophobicContact CE-CE2 4.14Å; M280-F289 HydrophobicContact CE-CZ 3.34Å; M280-F289 HydrophobicContact CG-CD1 3.98Å; M280-F289 HydrophobicContact CG-CE1 3.4Å; M280-F289 VanDerWaalsContact CG-CE1 3.4Å; M280-F289 HydrophobicContact CG-CE2 4.34Å; M280-F289 HydrophobicContact CG-CZ 3.65Å; M280-F289 PolarHBondContact N-O 2.9Å; M280-F289 PolarHBondContact O-N 3.4Å; M280-F289 HydrophobicContact SD-CZ 4.34Å
281W98.6Very high97.8Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-104144.1-179-55.393.4000110.5C128 E129 M130 M260 L261 E263 R279 Y286 L287C128-W281 HydrophobicContact CB-CH2 4.42Å; C128-W281 WeakPolarHBondContact O-CH2 3.38Å; C128-W281 WeakPolarHBondContact SG-CH2 3.23Å; E129-W281 VanDerWaalsContact C-CH2 3.47Å; E129-W281 WeakPolarHBondContact O-CH2 3.27Å; M130-W281 HydrophobicContact CB-CD2 3.86Å; M130-W281 HydrophobicContact CB-CE3 3.67Å; M130-W281 HydrophobicContact CB-CG 4.33Å; M130-W281 HydrophobicContact CB-CH2 4.42Å; M130-W281 HydrophobicContact CB-CZ3 3.97Å; M130-W281 HydrophobicContact CG-CB 3.9Å; M130-W281 HydrophobicContact CG-CD2 3.75Å; M130-W281 HydrophobicContact CG-CE3 4.04Å; M130-W281 HydrophobicContact CG-CG 3.69Å; M130-W281 HydrophobicContact SD-CB 3.59Å; M130-W281 VanDerWaalsContact SD-CB 3.59Å; M130-W281 HydrophobicContact SD-CG 4.09Å; M260-W281 CarbonylContact C-O 3.45Å; M260-W281 WeakPolarHBondContact CA-O 3.46Å; M260-W281 WeakPolarHBondContact CB-O 3.21Å; L261-W281 HydrophobicContact CB-CB 4.22Å; L261-W281 PolarHBondContact N-O 3.31Å; L261-W281 PolarHBondContact O-N 3.47Å; E263-W281 PolarHBondContact OE2-NE1 2.98Å; R279-W281 HydrophobicContact CB-CZ2 4.17Å; W281-Y286 CarbonylContact C-O 3.58Å; W281-Y286 WeakPolarHBondContact CA-O 3.45Å; W281-L287 HydrophobicContact CD2-CD1 3.98Å; W281-L287 HydrophobicContact CE3-CB 3.88Å; W281-L287 HydrophobicContact CE3-CD1 4.07Å; W281-L287 HydrophobicContact CH2-CB 4.31Å; W281-L287 HydrophobicContact CH2-CD1 4.25Å; W281-L287 HydrophobicContact CZ2-CD1 4.14Å; W281-L287 HydrophobicContact CZ3-CB 3.7Å; W281-L287 HydrophobicContact CZ3-CD1 4.21Å; W281-L287 HydrophobicContact CZ3-CG 4.46Å
282S97.3Very high98Very high23 Ų2339.4 Ų39.416%0.16120%0.197CC..EExtended strand (participates in β ladder)trans-74.3159.2162.963.40000110D284 A285 Y286S282-D284 PolarHBondContact O-N 2.84Å; S282-A285 PolarHBondContact O-N 3.01Å; S282-Y286 PolarHBondContact N-O 3.27Å; S282-Y286 WeakPolarHBondContact OG-CA 3.19Å; S282-Y286 VanDerWaalsContact OG-CB 3.31Å; S282-Y286 WeakPolarHBondContact OG-CB 3.3Å; S282-Y286 PolarHBondContact OG-N 3.09Å; S282-Y286 PolarHBondContact OG-O 3.06Å
283R95.3Very high98.1Very high87 Ų8736.4 Ų36.433%0.32818%0.176SC..THydrogen-bonded Turntrans-53.6-36.1172.3-169.2178.1-172.1-175.2-0.8113.2E135 W196 W259 A285E135-R283 IonicContact OE2-CZ 2.79Å; E135-R283 IonicContact OE2-NE 2.71Å; E135-R283 PolarHBondContact OE2-NE 2.92Å; E135-R283 IonicContact OE2-NH2 3.95Å; E135-R283 PolarHBondContact OE2-NH2 3.5Å; W196-R283 HydrophobicContact CZ3-CB 4.47Å; W259-R283 HydrophobicContact CB-CB 4.29Å; W259-R283 PolarHBondContact O-N 3.12Å; W259-R283 VanDerWaalsContact O-N 3.1Å; R283-A285 PolarHBondContact O-N 3.14Å; R283-A285 VanDerWaalsContact O-N 3.14Å
284D95Very high98.1Very high122 Ų12233.4 Ų33.465%0.65217%0.166SC*.THydrogen-bonded Turntrans-82.322.8178.5-60.5-32.7000113.1S282 Y286S282-D284 PolarHBondContact O-N 2.84Å; D284-Y286 VanDerWaalsContact C-N 3.25Å; D284-Y286 HydrophobicContact CB-CD2 4.04Å; D284-Y286 HydrophobicContact CB-CE2 4.09Å; D284-Y286 PolarHBondContact O-N 2.83Å
285A97Very high98.1Very high37 Ų3733.3 Ų33.331%0.30617%0.166SC..SBendtrans64.714.8175.100000116.4Q127 M130 S282 R283Q127-A285 PolarHBondContact NE2-O 2.83Å; M130-A285 HydrophobicContact CB-CB 3.89Å; M130-A285 HydrophobicContact CE-CB 3.82Å; M130-A285 HydrophobicContact SD-CB 4.14Å; S282-A285 PolarHBondContact O-N 3.01Å; R283-A285 PolarHBondContact O-N 3.14Å; R283-A285 VanDerWaalsContact O-N 3.14Å
286Y97.6Very high97.9Very high121 Ų12132.3 Ų32.348%0.47516%0.16SC..  trans-79.8134.4169.1-62.2-73.6000111.8W281 S282 D284 I288W281-Y286 CarbonylContact C-O 3.58Å; W281-Y286 WeakPolarHBondContact CA-O 3.45Å; S282-Y286 PolarHBondContact N-O 3.27Å; S282-Y286 WeakPolarHBondContact OG-CA 3.19Å; S282-Y286 VanDerWaalsContact OG-CB 3.31Å; S282-Y286 WeakPolarHBondContact OG-CB 3.3Å; S282-Y286 PolarHBondContact OG-N 3.09Å; S282-Y286 PolarHBondContact OG-O 3.06Å; D284-Y286 VanDerWaalsContact C-N 3.25Å; D284-Y286 HydrophobicContact CB-CD2 4.04Å; D284-Y286 HydrophobicContact CB-CE2 4.09Å; D284-Y286 PolarHBondContact O-N 2.83Å; Y286-I288 PolarHBondContact O-N 3.01Å
287L98.4Very high97.6Very high18 Ų1833.3 Ų33.39%0.09417%0.166CC..EExtended strand (participates in β ladder)trans-73.6113.1170.9-175.362.4000109.6R279 W281R279-L287 HydrophobicContact CB-CD1 3.63Å; R279-L287 HydrophobicContact CG-CD1 4.15Å; W281-L287 HydrophobicContact CD2-CD1 3.98Å; W281-L287 HydrophobicContact CE3-CB 3.88Å; W281-L287 HydrophobicContact CE3-CD1 4.07Å; W281-L287 HydrophobicContact CH2-CB 4.31Å; W281-L287 HydrophobicContact CH2-CD1 4.25Å; W281-L287 HydrophobicContact CZ2-CD1 4.14Å; W281-L287 HydrophobicContact CZ3-CB 3.7Å; W281-L287 HydrophobicContact CZ3-CD1 4.21Å; W281-L287 HydrophobicContact CZ3-CG 4.46Å
288I97.9Very high97.2Very high9 Ų936.6 Ų36.65%0.04618%0.176CC..EExtended strand (participates in β ladder)trans-83.2-52.7-175.6-58171.5000110.5H250 R251 L254 M260 M280 Y286H250-I288 PolarHBondContact N-O 3.17Å; R251-I288 PolarHBondContact N-O 3.17Å; L254-I288 HydrophobicContact CB-CD1 4.31Å; L254-I288 HydrophobicContact CB-CG2 3.48Å; L254-I288 VanDerWaalsContact CB-CG2 3.48Å; L254-I288 HydrophobicContact CD2-CG2 3.36Å; L254-I288 HydrophobicContact CG-CG2 4Å; M260-I288 HydrophobicContact CG-CD1 3.85Å; M260-I288 HydrophobicContact SD-CD1 3.93Å; M280-I288 HydrophobicContact CG-CD1 4.37Å; M280-I288 WeakPolarHBondContact O-CB 3.4Å; M280-I288 PolarHBondContact O-N 3.28Å; Y286-I288 PolarHBondContact O-N 3.01Å
289F98.6Very high96.7Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-151.9160.2177.566.7-102.5000111.5A214 I247 W248 F249 M280 T291A214-F289 HydrophobicContact CB-CD1 4.47Å; A214-F289 HydrophobicContact CB-CE1 3.81Å; I247-F289 HydrophobicContact CG2-CB 4.11Å; I247-F289 HydrophobicContact CG2-CD2 3.79Å; I247-F289 HydrophobicContact CG2-CE2 4.45Å; I247-F289 HydrophobicContact CG2-CG 4.12Å; W248-F289 CarbonylContact O-C 3.6Å; W248-F289 WeakPolarHBondContact O-CA 3.41Å; W248-F289 WeakPolarHBondContact O-CB 3.49Å; F249-F289 HydrophobicContact CD1-CB 3.74Å; F249-F289 HydrophobicContact CD1-CD1 4.09Å; F249-F289 HydrophobicContact CD1-CG 4.16Å; F249-F289 HydrophobicContact CE1-CB 4.22Å; F249-F289 AromaticContact CE1-CD1 3.95Å; F249-F289 HydrophobicContact CE1-CD1 3.95Å; F249-F289 HydrophobicContact CE1-CG 4.17Å; F249-F289 HydrophobicContact CG-CB 4.32Å; M280-F289 HydrophobicContact CB-CD1 3.64Å; M280-F289 HydrophobicContact CB-CD2 3.8Å; M280-F289 HydrophobicContact CB-CE1 3.4Å; M280-F289 HydrophobicContact CB-CE2 3.57Å; M280-F289 HydrophobicContact CB-CG 3.85Å; M280-F289 HydrophobicContact CB-CZ 3.39Å; M280-F289 HydrophobicContact CE-CE1 3.95Å; M280-F289 HydrophobicContact CE-CE2 4.14Å; M280-F289 HydrophobicContact CE-CZ 3.34Å; M280-F289 HydrophobicContact CG-CD1 3.98Å; M280-F289 HydrophobicContact CG-CE1 3.4Å; M280-F289 VanDerWaalsContact CG-CE1 3.4Å; M280-F289 HydrophobicContact CG-CE2 4.34Å; M280-F289 HydrophobicContact CG-CZ 3.65Å; M280-F289 PolarHBondContact N-O 2.9Å; M280-F289 PolarHBondContact O-N 3.4Å; M280-F289 HydrophobicContact SD-CZ 4.34Å; F289-T291 HydrophobicContact CD2-CG2 3.74Å; F289-T291 HydrophobicContact CE2-CG2 3.57Å
290S98.8Very high96Very high27 Ų2741 Ų4119%0.18921%0.207CC..EExtended strand (participates in β ladder)trans-117.8152172.6-57.90000110.7I247 W248 H250 G278I247-S290 CarbonylContact C-O 3.56Å; I247-S290 WeakPolarHBondContact CA-O 3.49Å; W248-S290 PolarHBondContact N-O 2.95Å; W248-S290 PolarHBondContact O-N 2.94Å; H250-S290 PolarHBondContact NE2-N 3.38Å; H250-S290 PolarHBondContact NE2-OG 2.85Å; G278-S290 CarbonylContact O-C 3.47Å; G278-S290 WeakPolarHBondContact O-CA 3.01Å
291T98.9Very high94.7Very high1 Ų150.8 Ų50.81%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-132.7149.5-179.556.90000111.7M222 S246 I247 Y262 H277 G278 F289M222-T291 WeakPolarHBondContact CE-OG1 3.26Å; S246-T291 WeakPolarHBondContact O-CA 3.22Å; I247-T291 HydrophobicContact CG1-CG2 4.3Å; I247-T291 HydrophobicContact CG2-CG2 4.4Å; Y262-T291 PolarHBondContact OH-OG1 3.24Å; H277-T291 CarbonylContact C-O 3.53Å; H277-T291 WeakPolarHBondContact CA-O 3.41Å; G278-T291 WeakPolarHBondContact CA-OG1 3.14Å; G278-T291 PolarHBondContact N-O 2.59Å; G278-T291 PolarHBondContact N-OG1 3.04Å; G278-T291 PolarHBondContact O-N 2.99Å; G278-T291 PolarHBondContact O-OG1 3.44Å; F289-T291 HydrophobicContact CD2-CG2 3.74Å; F289-T291 HydrophobicContact CE2-CG2 3.57Å
292T98.8Very high92.8Very high34 Ų3453.3 Ų53.321%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-135.8140.4166.9-56.60000109S246 L275 V276S246-T292 PolarHBondContact N-O 3.21Å; S246-T292 PolarHBondContact O-N 2.7Å; S246-T292 VanDerWaalsContact O-N 3.08Å; L275-T292 HydrophobicContact CD1-CG2 3.6Å; L275-T292 HydrophobicContact CG-CG2 4.46Å; V276-T292 CarbonylContact O-C 3.6Å; V276-T292 WeakPolarHBondContact O-CA 3.44Å
293Q98.8Very high90.6Very high0 Ų060.4 Ų60.40%029%0.293CS..EExtended strand (participates in β ladder)trans-145.5129.9178.3170.7161.696.900110.9D219 M222 S242 D244 H245 V276 V295D219-Q293 PolarHBondContact OD1-NE2 3.13Å; M222-Q293 HydrophobicContact CE-CB 3.65Å; M222-Q293 HydrophobicContact SD-CB 3.58Å; M222-Q293 VanDerWaalsContact SD-CB 3.58Å; M222-Q293 HydrophobicContact SD-CG 4.43Å; S242-Q293 VanDerWaalsContact CB-NE2 3.33Å; S242-Q293 PolarHBondContact OG-NE2 3Å; S242-Q293 PolarHBondContact OG-OE1 2.93Å; S242-Q293 VanDerWaalsContact OG-OE1 3.13Å; D244-Q293 VanDerWaalsContact O-CG 3.3Å; D244-Q293 WeakPolarHBondContact O-CG 3.3Å; D244-Q293 PolarHBondContact O-NE2 3.46Å; D244-Q293 WeakPolarHBondContact OD1-CA 3.32Å; H245-Q293 PolarHBondContact ND1-NE2 3.34Å; H245-Q293 VanDerWaalsContact ND1-NE2 3.18Å; V276-Q293 PolarHBondContact N-O 2.88Å; V276-Q293 PolarHBondContact O-N 3.21Å; Q293-V295 HydrophobicContact CG-CG2 3.85Å
294E98.7Very high88.4Confident39 Ų3965.7 Ų65.718%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-91.2133.1163.8-166.6172.2-127.300110.6L243 D244 R273 A274L243-E294 HydrophobicContact CB-CB 4.5Å; L243-E294 HydrophobicContact CD1-CG 4.14Å; L243-E294 PolarHBondContact N-O 3.27Å; D244-E294 PolarHBondContact OD1-N 2.79Å; R273-E294 HydrophobicContact CB-CG 4.23Å; R273-E294 WeakPolarHBondContact CD-OE1 3.33Å; R273-E294 WeakPolarHBondContact CD-OE2 3.27Å; R273-E294 IonicContact CZ-OE1 3.17Å; R273-E294 IonicContact CZ-OE2 2.84Å; R273-E294 IonicContact NE-OE1 3.11Å; R273-E294 PolarHBondContact NE-OE1 3.32Å; R273-E294 IonicContact NE-OE2 3.4Å; R273-E294 IonicContact NH1-OE1 2.7Å; R273-E294 PolarHBondContact NH1-OE1 2.82Å; R273-E294 IonicContact NH1-OE2 2.79Å; R273-E294 PolarHBondContact NH1-OE2 3.28Å; R273-E294 IonicContact NH2-OE1 3.21Å; R273-E294 PolarHBondContact NH2-OE1 3.47Å; A274-E294 CarbonylContact O-C 3.47Å; A274-E294 WeakPolarHBondContact O-CA 3.42Å
295V97Very high86.1Confident0 Ų065.6 Ų65.60%032%0.317CS..EExtended strand (participates in β ladder)trans-119.5127.7-178-173.30000109V223 V240 V241 R273 A274 V276 Q293 I297V223-V295 HydrophobicContact CB-CG1 4.49Å; V223-V295 HydrophobicContact CG1-CG1 4.3Å; V223-V295 HydrophobicContact CG2-CB 4.47Å; V223-V295 HydrophobicContact CG2-CG1 3.78Å; V223-V295 HydrophobicContact CG2-CG2 3.78Å; V240-V295 HydrophobicContact CG2-CG1 3.63Å; V241-V295 CarbonylContact O-C 3.57Å; V241-V295 WeakPolarHBondContact O-CA 3.41Å; V241-V295 WeakPolarHBondContact O-CG1 3.18Å; R273-V295 CarbonylContact C-O 3.59Å; R273-V295 WeakPolarHBondContact CA-O 3.44Å; A274-V295 PolarHBondContact N-O 3.15Å; A274-V295 PolarHBondContact O-N 2.98Å; V276-V295 HydrophobicContact CG2-CG2 4.37Å; Q293-V295 HydrophobicContact CG-CG2 3.85Å; V295-I297 HydrophobicContact CB-CG1 4.38Å; V295-I297 HydrophobicContact CG1-CD1 4.24Å; V295-I297 HydrophobicContact CG1-CG1 3.78Å
296L96.3Very high83.5Confident29 Ų2972.9 Ų72.915%0.15235%0.347CS..EExtended strand (participates in β ladder)trans-79.6123.8166.5179.875.4000109.1M239 V240 V241 L243 S272 R273M239-L296 HydrophobicContact SD-CD2 4.11Å; V240-L296 VanDerWaalsContact CA-O 3.29Å; V240-L296 WeakPolarHBondContact CA-O 3.16Å; V241-L296 HydrophobicContact CG2-CB 3.8Å; V241-L296 HydrophobicContact CG2-CD2 3.91Å; V241-L296 HydrophobicContact CG2-CG 4.39Å; V241-L296 PolarHBondContact N-O 3.21Å; V241-L296 PolarHBondContact O-N 3.11Å; L243-L296 HydrophobicContact CD1-CB 4.21Å; L243-L296 HydrophobicContact CD2-CB 4Å; L243-L296 HydrophobicContact CG-CB 4.02Å; S272-L296 WeakPolarHBondContact O-CD1 3.29Å; R273-L296 HydrophobicContact CG-CD1 4.37Å
297I91.7Very high82.8Confident21 Ų2170.5 Ų70.511%0.10834%0.341CS..EExtended strand (participates in β ladder)trans-128122.4179.3-58.4172.2000108.7A226 L227 F235 L237 V240 S272 A274 V295A226-I297 HydrophobicContact CB-CD1 3.92Å; L227-I297 HydrophobicContact CD2-CD1 4Å; L227-I297 HydrophobicContact CD2-CG1 4.48Å; L227-I297 HydrophobicContact CD2-CG2 3.92Å; F235-I297 HydrophobicContact CE1-CG2 4.46Å; F235-I297 HydrophobicContact CZ-CG2 3.89Å; L237-I297 HydrophobicContact CD1-CG2 3.85Å; V240-I297 HydrophobicContact CG2-CG1 4.1Å; S272-I297 CarbonylContact C-O 3.51Å; S272-I297 WeakPolarHBondContact CA-O 3.48Å; S272-I297 WeakPolarHBondContact CB-O 3.34Å; S272-I297 PolarHBondContact O-N 3.47Å; S272-I297 VanDerWaalsContact O-O 3.04Å; A274-I297 HydrophobicContact CB-CD1 3.8Å; V295-I297 HydrophobicContact CB-CG1 4.38Å; V295-I297 HydrophobicContact CG1-CD1 4.24Å; V295-I297 HydrophobicContact CG1-CG1 3.78Å
298R91.3Very high82Confident126 Ų12673.2 Ų73.248%0.47535%0.354SS..EExtended strand (participates in β ladder)trans-127.5142.5175.5-64.9-177.8172.9174.3-1.2111.1G238 M239G238-R298 WeakPolarHBondContact CA-O 3.48Å; G238-R298 PolarHBondContact N-O 3.2Å; M239-R298 HydrophobicContact CB-CB 4.27Å; M239-R298 PolarHBondContact N-O 2.79Å; M239-R298 PolarHBondContact O-N 2.88Å
299G87.3Confident81.1Confident34 Ų3476.8 Ų76.835%0.35137%0.371SS..EExtended strand (participates in β ladder)trans-70.1162.6169.900000112F235 K236 R301F235-G299 VanDerWaalsContact CE2-CA 3.4Å; K236-G299 CarbonylContact O-C 3.59Å; K236-G299 WeakPolarHBondContact O-CA 3.08Å; G299-R301 PolarHBondContact O-N 3.01Å
300Q84.2Confident80.1Confident132 Ų13281.3 Ų81.362%0.61739%0.393SS*.PPolyproline II helixtrans-57.9135.2164.4-68.5-176.9-26.400108.6K236 L237 S302K236-Q300 HydrophobicContact CB-CB 4.26Å; K236-Q300 HydrophobicContact CB-CG 4Å; K236-Q300 PolarHBondContact O-N 2.79Å; L237-Q300 WeakPolarHBondContact O-CG 3.3Å; Q300-S302 PolarHBondContact O-N 2.96Å
301R70.8Confident78.9Confident206 Ų20684.7 Ų84.778%0.77741%0.406SS*.PPolyproline II helixtrans-59.8129.6172-70.8-176.6178.9176.8-1.7107.9G299G299-R301 PolarHBondContact O-N 3.01Å
302S58.5Low77.6Confident54 Ų5490.3 Ų90.338%0.37843%0.432SS..PPolyproline II helixtrans-67.1147.9170.8830000108.1Q300 K304 D305Q300-S302 PolarHBondContact O-N 2.96Å; S302-K304 PolarHBondContact O-N 3.3Å; S302-K304 PolarHBondContact OG-N 3.34Å; S302-D305 WeakPolarHBondContact CB-OD2 3.5Å; S302-D305 PolarHBondContact O-N 2.65Å; S302-D305 VanDerWaalsContact OG-CG 3.27Å; S302-D305 PolarHBondContact OG-OD2 3.33Å
303Q51.2Low76.1Confident171 Ų17194.3 Ų94.380%0.79945%0.448SS*.G310 helixtrans-57.8-15.3171.9-99.5-178.5-300112.9D305 M306Q303-D305 VanDerWaalsContact C-N 3.34Å; Q303-M306 HydrophobicContact CG-CE 3.8Å
304K49.3Very low74.4Confident198 Ų198101.5 Ų101.586%0.86148%0.483SS*.G310 helixtrans-79.3-13.5175.1-74.7-175.1173.4-175.90113.8S302S302-K304 PolarHBondContact O-N 3.3Å; S302-K304 PolarHBondContact OG-N 3.34Å
305D47.2Very low72.3Confident120 Ų120106.8 Ų106.864%0.64251%0.508SS*.G310 helixtrans-105.511.5-179.6-52.4-51.4000113S302 Q303S302-D305 WeakPolarHBondContact CB-OD2 3.5Å; S302-D305 PolarHBondContact O-N 2.65Å; S302-D305 VanDerWaalsContact OG-CG 3.27Å; S302-D305 PolarHBondContact OG-OD2 3.33Å; Q303-D305 VanDerWaalsContact C-N 3.34Å
306M43.2Very low70.1Confident190 Ų190116.5 Ų116.594%0.93655%0.554SS**  trans-98.70168.9-69.9-165.4-62.800110Q303Q303-M306 HydrophobicContact CG-CE 3.8Å

Retrieved 306 of 306 residues in 589.7 ms (Link to these results)

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