G4LWW8_SCHMA Loading...

Fe2OG dioxygenase domain-containing protein

AlphaFold DB , UniProt , Accession G4LWW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low61.1Low236 Ų236112.2 Ų112.2100%1.16356%0.564SS**  0117.70-88170.517800106.5Y3M1-Y3 PolarHBondContact O-N 3.13Å
2A35.5Very low63.7Low84 Ų84103.2 Ų103.269%0.69452%0.519SS*.  trans-69.9100.117500000107.5F4A2-F4 WeakPolarHBondContact O-CD2 3.38Å; A2-F4 PolarHBondContact O-N 3.03Å; A2-F4 VanDerWaalsContact O-N 3.13Å
3Y41.9Very low65.9Low161 Ų161104.8 Ų104.863%0.63152%0.521SS*.  trans-61.9109.3167.4-118.7-95.7000106M1 D7 Q8M1-Y3 PolarHBondContact O-N 3.13Å; Y3-D7 HydrophobicContact CD1-CB 3.66Å; Y3-D7 HydrophobicContact CE1-CB 3.87Å; Y3-Q8 HydrophobicContact CD1-CG 4.19Å
4F45.3Very low67.7Low151 Ų151102.7 Ų102.766%0.66251%0.512SS*.  trans-66.4148.6-178.5-75.2-90.2000109.4A2 E6 D7 Q8A2-F4 WeakPolarHBondContact O-CD2 3.38Å; A2-F4 PolarHBondContact O-N 3.03Å; A2-F4 VanDerWaalsContact O-N 3.13Å; F4-E6 PolarHBondContact O-N 2.89Å; F4-D7 WeakPolarHBondContact O-CB 3.45Å; F4-D7 PolarHBondContact O-N 3.03Å; F4-Q8 PolarHBondContact O-N 3.06Å
5D60.3Low69.4Low110 Ų11095.9 Ų95.959%0.58848%0.478SS*.Hα-helixtrans-56.7-27.8-175.4-156.47.2000112.5N9D5-N9 WeakPolarHBondContact O-CB 3.38Å; D5-N9 PolarHBondContact O-N 2.99Å; D5-N9 PolarHBondContact O-ND2 3.23Å
6E61.6Low70.9Confident159 Ų15991.6 Ų91.674%0.74346%0.456SS*.Hα-helixtrans-65.5-40.5172-73.3-170.9163.100113.6F4 N9 T10F4-E6 PolarHBondContact O-N 2.89Å; E6-N9 PolarHBondContact O-N 3.24Å; E6-T10 PolarHBondContact O-N 3.1Å; E6-T10 PolarHBondContact O-OG1 2.63Å
7D66.9Low72.3Confident85 Ų8593.2 Ų93.246%0.45546%0.459SS..Hα-helixtrans-68.2-41178.4-70.7-31.2000110.4Y3 F4 T10 Y11Y3-D7 HydrophobicContact CD1-CB 3.66Å; Y3-D7 HydrophobicContact CE1-CB 3.87Å; F4-D7 WeakPolarHBondContact O-CB 3.45Å; F4-D7 PolarHBondContact O-N 3.03Å; D7-T10 PolarHBondContact O-N 2.81Å; D7-Y11 WeakPolarHBondContact O-CB 3.45Å; D7-Y11 PolarHBondContact O-N 2.76Å
8Q68.4Low73.5Confident67 Ų6791.3 Ų91.331%0.31345%0.448SS..Hα-helixtrans-63.3-42.3174.6-70-164.2-15.400112Y3 F4 T10 Y11 L12Y3-Q8 HydrophobicContact CD1-CG 4.19Å; F4-Q8 PolarHBondContact O-N 3.06Å; Q8-T10 VanDerWaalsContact C-N 3.27Å; Q8-T10 PolarHBondContact O-N 3.28Å; Q8-Y11 PolarHBondContact O-N 3.31Å; Q8-L12 WeakPolarHBondContact O-CG 3.36Å; Q8-L12 PolarHBondContact O-N 2.84Å
9N79.7Confident74.5Confident66 Ų6686.5 Ų86.535%0.35343%0.425SS..Hα-helixtrans-64.4-33.3175.7-81.2-54000112.4D5 E6 K13D5-N9 WeakPolarHBondContact O-CB 3.38Å; D5-N9 PolarHBondContact O-N 2.99Å; D5-N9 PolarHBondContact O-ND2 3.23Å; E6-N9 PolarHBondContact O-N 3.24Å; N9-K13 WeakPolarHBondContact O-CB 3.34Å; N9-K13 WeakPolarHBondContact O-CD 3.43Å; N9-K13 WeakPolarHBondContact O-CG 3.37Å; N9-K13 PolarHBondContact O-N 2.96Å; N9-K13 VanDerWaalsContact O-N 3.16Å
10T86.6Confident75.5Confident70 Ų7086.1 Ų86.143%0.42942%0.421SS..Hα-helixtrans-70.6-47.4175-570000111E6 D7 Q8 L12 K13 D14E6-T10 PolarHBondContact O-N 3.1Å; E6-T10 PolarHBondContact O-OG1 2.63Å; D7-T10 PolarHBondContact O-N 2.81Å; Q8-T10 VanDerWaalsContact C-N 3.27Å; Q8-T10 PolarHBondContact O-N 3.28Å; T10-L12 PolarHBondContact O-N 2.67Å; T10-K13 WeakPolarHBondContact O-CB 3.49Å; T10-K13 PolarHBondContact O-N 3.4Å; T10-D14 PolarHBondContact O-N 2.91Å
11Y90Very high76.4Confident45 Ų4588.9 Ų88.918%0.17643%0.432CS..Hα-helixtrans-51.9-53.5173.9166.5-95.8000111.8D7 Q8 K13 D14 V15 F243 H245 V246D7-Y11 WeakPolarHBondContact O-CB 3.45Å; D7-Y11 PolarHBondContact O-N 2.76Å; Q8-Y11 PolarHBondContact O-N 3.31Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 3.22Å; Y11-D14 PolarHBondContact O-N 3.49Å; Y11-D14 VanDerWaalsContact O-N 3.11Å; Y11-V15 HydrophobicContact CD1-CG2 4.16Å; Y11-V15 HydrophobicContact CD2-CG2 4.29Å; Y11-V15 HydrophobicContact CE1-CG2 3.87Å; Y11-V15 HydrophobicContact CE2-CG2 4.04Å; Y11-V15 HydrophobicContact CG-CG2 4.35Å; Y11-V15 WeakPolarHBondContact O-CG2 3.43Å; Y11-V15 PolarHBondContact O-N 2.83Å; Y11-F243 HydrophobicContact CD2-CD1 4.12Å; Y11-F243 HydrophobicContact CE2-CB 4.27Å; Y11-F243 AromaticContact CE2-CD1 3.56Å; Y11-F243 HydrophobicContact CE2-CD1 3.56Å; Y11-F243 HydrophobicContact CE2-CE1 4.42Å; Y11-F243 HydrophobicContact CE2-CG 4.33Å; Y11-F243 WeakPolarHBondContact OH-CA 3.02Å; Y11-F243 WeakPolarHBondContact OH-CB 3.47Å; Y11-H245 PolarHBondContact OH-N 3.1Å; Y11-V246 HydrophobicContact CE1-CG2 4.12Å
12L92.3Very high79.2Confident4 Ų479.1 Ų79.12%0.02139%0.385CS..Hα-helixtrans-65.2-33.5-179-70.2-178.4000113.2Q8 T10 D14 F16 F199 V246 R267Q8-L12 WeakPolarHBondContact O-CG 3.36Å; Q8-L12 PolarHBondContact O-N 2.84Å; T10-L12 PolarHBondContact O-N 2.67Å; L12-D14 VanDerWaalsContact C-N 3.33Å; L12-F16 VanDerWaalsContact O-CB 3.27Å; L12-F16 WeakPolarHBondContact O-CB 3.49Å; L12-F16 PolarHBondContact O-N 3.36Å; L12-F199 HydrophobicContact CB-CB 4.31Å; L12-F199 HydrophobicContact CB-CD2 3.76Å; L12-F199 HydrophobicContact CB-CE2 4.25Å; L12-F199 HydrophobicContact CB-CG 4.05Å; L12-F199 HydrophobicContact CD1-CB 4.2Å; L12-F199 HydrophobicContact CD1-CD1 4.32Å; L12-F199 HydrophobicContact CD1-CG 4.16Å; L12-F199 HydrophobicContact CD2-CD1 4.18Å; L12-F199 HydrophobicContact CD2-CD2 4.19Å; L12-F199 HydrophobicContact CD2-CE1 4.05Å; L12-F199 HydrophobicContact CD2-CE2 4.05Å; L12-F199 HydrophobicContact CD2-CG 4.25Å; L12-F199 HydrophobicContact CD2-CZ 3.98Å; L12-F199 HydrophobicContact CG-CD2 4.42Å; L12-F199 HydrophobicContact CG-CG 4.39Å; L12-F199 WeakPolarHBondContact O-CD2 3.41Å; L12-F199 WeakPolarHBondContact O-CE2 3.47Å; L12-V246 HydrophobicContact CD2-CG2 3.97Å; L12-R267 HydrophobicContact CD1-CB 4.2Å; L12-R267 HydrophobicContact CD1-CG 4.47Å; L12-R267 VanDerWaalsContact CD1-CZ 3.47Å
13K92.5Very high81.9Confident125 Ų12581.1 Ų81.154%0.54338%0.384SS..Hα-helixtrans-63.8-40.2173.2-78.2169.1-171.9171.60111.6N9 T10 Y11 K17N9-K13 WeakPolarHBondContact O-CB 3.34Å; N9-K13 WeakPolarHBondContact O-CD 3.43Å; N9-K13 WeakPolarHBondContact O-CG 3.37Å; N9-K13 PolarHBondContact O-N 2.96Å; N9-K13 VanDerWaalsContact O-N 3.16Å; T10-K13 WeakPolarHBondContact O-CB 3.49Å; T10-K13 PolarHBondContact O-N 3.4Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 3.22Å; K13-K17 WeakPolarHBondContact O-CG 3.34Å; K13-K17 PolarHBondContact O-N 3.41Å
14D92Very high84.4Confident75 Ų7574.7 Ų74.740%0.40136%0.359SS..Hα-helixtrans-72.3-40.7179.4-70.1-19.5000111.5T10 Y11 L12 F16 K17 F18T10-D14 PolarHBondContact O-N 2.91Å; Y11-D14 PolarHBondContact O-N 3.49Å; Y11-D14 VanDerWaalsContact O-N 3.11Å; L12-D14 VanDerWaalsContact C-N 3.33Å; D14-F16 VanDerWaalsContact C-N 3.33Å; D14-F16 PolarHBondContact O-N 2.95Å; D14-K17 PolarHBondContact O-N 2.92Å; D14-K17 IonicContact OD1-NZ 3.25Å; D14-F18 WeakPolarHBondContact O-CB 3.37Å; D14-F18 PolarHBondContact O-N 3.31Å
15V92.5Very high86.7Confident0 Ų070.3 Ų70.30%034%0.344CS..Hα-helixtrans-57.5-47.9171.6-175.40000110.6Y11 K17 F18 Y19 F199 L224 F243 V246Y11-V15 HydrophobicContact CD1-CG2 4.16Å; Y11-V15 HydrophobicContact CD2-CG2 4.29Å; Y11-V15 HydrophobicContact CE1-CG2 3.87Å; Y11-V15 HydrophobicContact CE2-CG2 4.04Å; Y11-V15 HydrophobicContact CG-CG2 4.35Å; Y11-V15 WeakPolarHBondContact O-CG2 3.43Å; Y11-V15 PolarHBondContact O-N 2.83Å; V15-K17 PolarHBondContact O-N 3.26Å; V15-F18 WeakPolarHBondContact O-CB 3.37Å; V15-F18 PolarHBondContact O-N 3.11Å; V15-Y19 HydrophobicContact CG1-CD2 3.78Å; V15-Y19 HydrophobicContact CG1-CE2 3.59Å; V15-Y19 VanDerWaalsContact O-CD2 3.31Å; V15-Y19 WeakPolarHBondContact O-CD2 3.5Å; V15-Y19 PolarHBondContact O-N 3.39Å; V15-Y19 VanDerWaalsContact O-N 3.12Å; V15-F199 HydrophobicContact CB-CE2 4.35Å; V15-F199 HydrophobicContact CG1-CE2 4.44Å; V15-L224 HydrophobicContact CG1-CD1 4.46Å; V15-F243 HydrophobicContact CB-CD1 4.42Å; V15-F243 HydrophobicContact CB-CD2 4.05Å; V15-F243 HydrophobicContact CB-CE2 4.29Å; V15-F243 HydrophobicContact CB-CG 4.17Å; V15-F243 HydrophobicContact CG1-CB 4.37Å; V15-F243 HydrophobicContact CG1-CD2 3.8Å; V15-F243 HydrophobicContact CG1-CE2 4.37Å; V15-F243 HydrophobicContact CG1-CG 4.09Å; V15-F243 HydrophobicContact CG2-CB 3.94Å; V15-F243 HydrophobicContact CG2-CD1 3.34Å; V15-F243 HydrophobicContact CG2-CD2 3.76Å; V15-F243 HydrophobicContact CG2-CE1 3.7Å; V15-F243 HydrophobicContact CG2-CE2 4.15Å; V15-F243 HydrophobicContact CG2-CG 3.38Å; V15-F243 HydrophobicContact CG2-CZ 4.11Å; V15-V246 HydrophobicContact CG1-CB 3.96Å; V15-V246 HydrophobicContact CG1-CG1 3.83Å; V15-V246 HydrophobicContact CG1-CG2 3.98Å; V15-V246 HydrophobicContact CG2-CG2 4.33Å
16F94.2Very high88.2Confident28 Ų2872 Ų7212%0.12335%0.348CS..Hα-helixtrans-60.4-46.1179.5-179.2-95.5000112.3L12 D14 F18 K20 M197 F199 A269 P271L12-F16 VanDerWaalsContact O-CB 3.27Å; L12-F16 WeakPolarHBondContact O-CB 3.49Å; L12-F16 PolarHBondContact O-N 3.36Å; D14-F16 VanDerWaalsContact C-N 3.33Å; D14-F16 PolarHBondContact O-N 2.95Å; F16-F18 VanDerWaalsContact C-N 3.32Å; F16-F18 PolarHBondContact O-N 3.37Å; F16-K20 HydrophobicContact CE1-CD 3.76Å; F16-K20 HydrophobicContact CZ-CD 4.25Å; F16-K20 WeakPolarHBondContact O-CB 3.45Å; F16-K20 PolarHBondContact O-N 2.87Å; F16-M197 WeakPolarHBondContact CE2-O 3.46Å; F16-F199 HydrophobicContact CB-CD2 4.02Å; F16-F199 HydrophobicContact CB-CE2 4.05Å; F16-A269 HydrophobicContact CD2-CB 3.82Å; F16-A269 HydrophobicContact CE2-CB 4.12Å; F16-P271 HydrophobicContact CD2-CB 4.05Å; F16-P271 HydrophobicContact CE2-CB 3.79Å; F16-P271 HydrophobicContact CZ-CB 4.36Å
17K93.8Very high89.6Confident118 Ų11868.8 Ų68.851%0.51334%0.339SS..Hα-helixtrans-61.4-41.7176.3-75.8173-172.2165.60111.6K13 D14 V15 K20 H21K13-K17 WeakPolarHBondContact O-CG 3.34Å; K13-K17 PolarHBondContact O-N 3.41Å; D14-K17 PolarHBondContact O-N 2.92Å; D14-K17 IonicContact OD1-NZ 3.25Å; V15-K17 PolarHBondContact O-N 3.26Å; K17-K20 PolarHBondContact O-N 3Å; K17-H21 PolarHBondContact O-CD2 3.03Å; K17-H21 VanDerWaalsContact O-CD2 3.26Å; K17-H21 PolarHBondContact O-N 2.83Å; K17-H21 VanDerWaalsContact O-N 3.1Å
18F93.6Very high90.9Very high59 Ų5965.6 Ų65.626%0.25932%0.323SS..Hα-helixtrans-56.1-56.6178.4173.5-94.1000110.9D14 V15 F16 K20 H21 L22 L239 F243D14-F18 WeakPolarHBondContact O-CB 3.37Å; D14-F18 PolarHBondContact O-N 3.31Å; V15-F18 WeakPolarHBondContact O-CB 3.37Å; V15-F18 PolarHBondContact O-N 3.11Å; F16-F18 VanDerWaalsContact C-N 3.32Å; F16-F18 PolarHBondContact O-N 3.37Å; F18-K20 PolarHBondContact O-N 2.92Å; F18-H21 PolarHBondContact O-N 2.96Å; F18-L22 HydrophobicContact CE1-CD1 4.25Å; F18-L22 HydrophobicContact CE1-CD2 4.15Å; F18-L22 HydrophobicContact CE2-CD1 4.27Å; F18-L22 HydrophobicContact CZ-CD1 3.74Å; F18-L22 HydrophobicContact CZ-CD2 4.41Å; F18-L22 WeakPolarHBondContact O-CB 3.26Å; F18-L22 PolarHBondContact O-N 3.47Å; F18-L239 WeakPolarHBondContact CE1-O 3.4Å; F18-L239 WeakPolarHBondContact CZ-O 3.45Å; F18-F243 HydrophobicContact CB-CE2 3.76Å; F18-F243 HydrophobicContact CB-CZ 4.38Å; F18-F243 HydrophobicContact CD1-CE2 4.09Å; F18-F243 HydrophobicContact CD2-CE2 4.47Å; F18-F243 AromaticContact CG-CE2 3.84Å; F18-F243 HydrophobicContact CG-CE2 3.84Å
19Y93.8Very high92Very high0 Ų064.1 Ų64.10%031%0.314CS..Hα-helixtrans-66-41179.5-73.9-75.1000112.4V15 H21 L22 Y24 I32 L222 L224 H240 V246 P248V15-Y19 HydrophobicContact CG1-CD2 3.78Å; V15-Y19 HydrophobicContact CG1-CE2 3.59Å; V15-Y19 VanDerWaalsContact O-CD2 3.31Å; V15-Y19 WeakPolarHBondContact O-CD2 3.5Å; V15-Y19 PolarHBondContact O-N 3.39Å; V15-Y19 VanDerWaalsContact O-N 3.12Å; Y19-H21 PolarHBondContact O-N 3.36Å; Y19-H21 VanDerWaalsContact O-N 3.14Å; Y19-L22 HydrophobicContact CD1-CD2 4.43Å; Y19-L22 PolarHBondContact O-N 2.71Å; Y19-Y24 VanDerWaalsContact O-CE2 3.25Å; Y19-Y24 WeakPolarHBondContact O-CE2 3.29Å; Y19-Y24 PolarHBondContact O-OH 3.31Å; Y19-I32 HydrophobicContact CE1-CD1 4.49Å; Y19-L222 HydrophobicContact CD1-CD2 3.58Å; Y19-L222 HydrophobicContact CE1-CD2 4.23Å; Y19-L222 HydrophobicContact CG-CD2 4.1Å; Y19-L224 HydrophobicContact CD1-CD2 4.23Å; Y19-L224 HydrophobicContact CD2-CD1 3.56Å; Y19-L224 HydrophobicContact CD2-CD2 3.62Å; Y19-L224 HydrophobicContact CD2-CG 4.26Å; Y19-L224 HydrophobicContact CE1-CD2 4.32Å; Y19-L224 HydrophobicContact CE2-CD1 4.17Å; Y19-L224 HydrophobicContact CE2-CD2 3.73Å; Y19-L224 HydrophobicContact CG-CD1 4.17Å; Y19-L224 HydrophobicContact CG-CD2 3.86Å; Y19-H240 AromaticContact CE1-CE1 3.68Å; Y19-H240 AromaticContact CE1-ND1 3.85Å; Y19-H240 AromaticContact CZ-CE1 3.65Å; Y19-H240 AromaticContact CZ-ND1 3.46Å; Y19-H240 PolarHBondContact OH-CE1 3.11Å; Y19-H240 PolarHBondContact OH-ND1 2.85Å; Y19-V246 HydrophobicContact CE2-CG1 4.33Å; Y19-P248 HydrophobicContact CE1-CB 3.66Å; Y19-P248 HydrophobicContact CE1-CG 4Å; Y19-P248 VanDerWaalsContact OH-CD 3.31Å; Y19-P248 WeakPolarHBondContact OH-CD 3.43Å; Y19-P248 VanDerWaalsContact OH-CG 3.28Å; Y19-P248 WeakPolarHBondContact OH-CG 3.33Å
20K94.6Very high92.6Very high79 Ų7963.7 Ų63.734%0.34331%0.311SS..Hα-helixtrans-57.5-33.1179.5-180171.4179.5167.40113.4F16 K17 F18 T196 P271F16-K20 HydrophobicContact CE1-CD 3.76Å; F16-K20 HydrophobicContact CZ-CD 4.25Å; F16-K20 WeakPolarHBondContact O-CB 3.45Å; F16-K20 PolarHBondContact O-N 2.87Å; K17-K20 PolarHBondContact O-N 3Å; F18-K20 PolarHBondContact O-N 2.92Å; K20-T196 HydrophobicContact CD-CG2 4.27Å; K20-P271 HydrophobicContact CB-CB 4.03Å
21H93.8Very high92.8Very high144 Ų14463.8 Ų63.867%0.66731%0.306SS*.Hα-helixtrans-108.94.8-176.3-63.4-61.8000113.9K17 F18 Y19K17-H21 PolarHBondContact O-CD2 3.03Å; K17-H21 VanDerWaalsContact O-CD2 3.26Å; K17-H21 PolarHBondContact O-N 2.83Å; K17-H21 VanDerWaalsContact O-N 3.1Å; F18-H21 PolarHBondContact O-N 2.96Å; Y19-H21 PolarHBondContact O-N 3.36Å; Y19-H21 VanDerWaalsContact O-N 3.14Å
22L93Very high92.9Very high32 Ų3261.7 Ų61.717%0.16830%0.298CS..  trans-62.5138.2178.2-173.661.2000110.6F18 Y19 Y24 V28 I32 L239F18-L22 HydrophobicContact CE1-CD1 4.25Å; F18-L22 HydrophobicContact CE1-CD2 4.15Å; F18-L22 HydrophobicContact CE2-CD1 4.27Å; F18-L22 HydrophobicContact CZ-CD1 3.74Å; F18-L22 HydrophobicContact CZ-CD2 4.41Å; F18-L22 WeakPolarHBondContact O-CB 3.26Å; F18-L22 PolarHBondContact O-N 3.47Å; Y19-L22 HydrophobicContact CD1-CD2 4.43Å; Y19-L22 PolarHBondContact O-N 2.71Å; L22-Y24 HydrophobicContact CB-CD2 4.37Å; L22-Y24 HydrophobicContact CB-CE1 4.41Å; L22-Y24 HydrophobicContact CB-CE2 3.92Å; L22-Y24 HydrophobicContact CD2-CD1 4.28Å; L22-Y24 HydrophobicContact CD2-CE1 3.88Å; L22-Y24 HydrophobicContact CG-CE1 4.45Å; L22-Y24 WeakPolarHBondContact O-CD2 3.46Å; L22-Y24 WeakPolarHBondContact O-CE2 3.32Å; L22-Y24 PolarHBondContact O-N 3.16Å; L22-Y24 VanDerWaalsContact O-N 3.12Å; L22-V28 HydrophobicContact CD2-CG1 3.72Å; L22-V28 HydrophobicContact CG-CG1 4.13Å; L22-I32 HydrophobicContact CD2-CD1 3.98Å; L22-L239 HydrophobicContact CD1-CD2 4.45Å; L22-L239 HydrophobicContact CD2-CD2 4.48Å
23N93.4Very high92.9Very high126 Ų12664.4 Ų64.467%0.67431%0.308SS*.  trans-7994.9172.3-176.214.8000110.1T25N23-T25 PolarHBondContact O-N 3.15Å
24Y93.4Very high92.7Very high26 Ų2665.4 Ų65.410%0.10231%0.308CS..  trans-75.664.9-176.8-67.8-81.3000113.7Y19 L22 R29 I32 L222 V272 F274Y19-Y24 VanDerWaalsContact O-CE2 3.25Å; Y19-Y24 WeakPolarHBondContact O-CE2 3.29Å; Y19-Y24 PolarHBondContact O-OH 3.31Å; L22-Y24 HydrophobicContact CB-CD2 4.37Å; L22-Y24 HydrophobicContact CB-CE1 4.41Å; L22-Y24 HydrophobicContact CB-CE2 3.92Å; L22-Y24 HydrophobicContact CD2-CD1 4.28Å; L22-Y24 HydrophobicContact CD2-CE1 3.88Å; L22-Y24 HydrophobicContact CG-CE1 4.45Å; L22-Y24 WeakPolarHBondContact O-CD2 3.46Å; L22-Y24 WeakPolarHBondContact O-CE2 3.32Å; L22-Y24 PolarHBondContact O-N 3.16Å; L22-Y24 VanDerWaalsContact O-N 3.12Å; Y24-R29 HydrophobicContact CD1-CG 4.29Å; Y24-R29 PolarHBondContact O-NE 3.5Å; Y24-I32 HydrophobicContact CD1-CD1 4.29Å; Y24-I32 HydrophobicContact CE1-CD1 3.87Å; Y24-L222 HydrophobicContact CE1-CD2 4.01Å; Y24-L222 WeakPolarHBondContact OH-CD2 3.36Å; Y24-V272 HydrophobicContact CE2-CB 4.37Å; Y24-V272 HydrophobicContact CE2-CG1 3.77Å; Y24-V272 HydrophobicContact CE2-CG2 4.38Å; Y24-V272 WeakPolarHBondContact OH-CG1 3.36Å; Y24-F274 AromaticContact CD1-CE1 3.87Å; Y24-F274 HydrophobicContact CD1-CE1 3.87Å; Y24-F274 AromaticContact CD1-CZ 3.83Å; Y24-F274 HydrophobicContact CD1-CZ 3.83Å; Y24-F274 AromaticContact CD2-CE1 3.79Å; Y24-F274 HydrophobicContact CD2-CE1 3.79Å; Y24-F274 HydrophobicContact CD2-CZ 4.22Å; Y24-F274 HydrophobicContact CE1-CE1 4.27Å; Y24-F274 AromaticContact CE1-CZ 3.83Å; Y24-F274 HydrophobicContact CE1-CZ 3.83Å; Y24-F274 HydrophobicContact CE2-CE1 4.22Å; Y24-F274 HydrophobicContact CE2-CZ 4.23Å; Y24-F274 AromaticContact CG-CE1 3.6Å; Y24-F274 HydrophobicContact CG-CE1 3.6Å; Y24-F274 HydrophobicContact CG-CZ 4.02Å
25T93.8Very high92.5Very high58 Ų5862 Ų6236%0.35629%0.29SS..  trans-62.7160.9167.672.30000110.8N23 V27 V28 R29N23-T25 PolarHBondContact O-N 3.15Å; T25-V27 PolarHBondContact O-N 2.94Å; T25-V28 PolarHBondContact O-N 2.92Å; T25-V28 VanDerWaalsContact O-N 3.09Å; T25-V28 WeakPolarHBondContact OG1-CG2 3.48Å; T25-V28 PolarHBondContact OG1-N 2.91Å; T25-R29 WeakPolarHBondContact O-CG 3.43Å; T25-R29 PolarHBondContact O-N 2.91Å
26H92.1Very high92.4Very high145 Ų14562.4 Ų62.467%0.67129%0.292SS*.Hα-helixtrans-52.6-42176.7-178.7-82.7000112.4R29 E30H26-R29 PolarHBondContact O-N 3.14Å; H26-E30 WeakPolarHBondContact O-CB 3.07Å; H26-E30 PolarHBondContact O-N 3.03Å
27V92.1Very high92.2Very high92 Ų9265.2 Ų65.256%0.55831%0.309SS*.Hα-helixtrans-63.2-44.9178.6178.40000111.3T25 E30 Q31T25-V27 PolarHBondContact O-N 2.94Å; V27-E30 PolarHBondContact O-N 3.18Å; V27-Q31 WeakPolarHBondContact O-CG 3.37Å; V27-Q31 PolarHBondContact O-N 2.96Å
28V92.2Very high92Very high19 Ų1962.2 Ų62.212%0.11530%0.303CS..Hα-helixtrans-64.9-44.5178.9170.10000111.1L22 T25 E30 Q31 I32 L239L22-V28 HydrophobicContact CD2-CG1 3.72Å; L22-V28 HydrophobicContact CG-CG1 4.13Å; T25-V28 PolarHBondContact O-N 2.92Å; T25-V28 VanDerWaalsContact O-N 3.09Å; T25-V28 WeakPolarHBondContact OG1-CG2 3.48Å; T25-V28 PolarHBondContact OG1-N 2.91Å; V28-E30 VanDerWaalsContact C-N 3.31Å; V28-E30 PolarHBondContact O-N 3.21Å; V28-Q31 PolarHBondContact O-N 3.48Å; V28-I32 HydrophobicContact CG1-CD1 4.09Å; V28-I32 WeakPolarHBondContact O-CG1 3.45Å; V28-I32 PolarHBondContact O-N 2.75Å; V28-L239 HydrophobicContact CG1-CD2 3.83Å; V28-L239 HydrophobicContact CG2-CD2 4.2Å
29R93.3Very high91.8Very high35 Ų3561.8 Ų61.813%0.13230%0.302CS..Hα-helixtrans-60-43.7176.9-64.1-173.7-170-168.30.6111.2Y24 T25 H26 I32 R33 Y250 D276Y24-R29 HydrophobicContact CD1-CG 4.29Å; Y24-R29 PolarHBondContact O-NE 3.5Å; T25-R29 WeakPolarHBondContact O-CG 3.43Å; T25-R29 PolarHBondContact O-N 2.91Å; H26-R29 PolarHBondContact O-N 3.14Å; R29-I32 PolarHBondContact O-N 2.77Å; R29-R33 WeakPolarHBondContact O-CG 3.41Å; R29-R33 PolarHBondContact O-N 3.46Å; R29-Y250 WeakPolarHBondContact CA-OH 3.45Å; R29-Y250 WeakPolarHBondContact CG-OH 3.42Å; R29-D276 IonicContact CZ-OD1 3.57Å; R29-D276 IonicContact CZ-OD2 2.68Å; R29-D276 VanDerWaalsContact CZ-OD2 3.31Å; R29-D276 IonicContact NH1-OD1 3.71Å; R29-D276 PolarHBondContact NH1-OD1 2.83Å; R29-D276 IonicContact NH1-OD2 3.52Å; R29-D276 PolarHBondContact NH1-OD2 3.42Å; R29-D276 IonicContact NH2-OD1 3.86Å; R29-D276 PolarHBondContact NH2-OD1 2.9Å; R29-D276 IonicContact NH2-OD2 3.68Å; R29-D276 PolarHBondContact NH2-OD2 3.11Å
30E91.7Very high91.7Very high58 Ų5862.5 Ų62.527%0.27131%0.306SS..Hα-helixtrans-65.2-39.6178.2-178.560.3-168.100112.6H26 V27 V28 R33 R34H26-E30 WeakPolarHBondContact O-CB 3.07Å; H26-E30 PolarHBondContact O-N 3.03Å; V27-E30 PolarHBondContact O-N 3.18Å; V28-E30 VanDerWaalsContact C-N 3.31Å; V28-E30 PolarHBondContact O-N 3.21Å; E30-R33 PolarHBondContact O-N 2.6Å; E30-R34 WeakPolarHBondContact O-CG 3.33Å; E30-R34 PolarHBondContact O-N 3.31Å; E30-R34 IonicContact OE1-CZ 3.06Å; E30-R34 IonicContact OE1-NE 3.87Å; E30-R34 PolarHBondContact OE1-NE 3.29Å; E30-R34 IonicContact OE1-NH2 2.64Å; E30-R34 PolarHBondContact OE1-NH2 3.19Å
31Q90.5Very high91.5Very high72 Ų7263.5 Ų63.534%0.33631%0.31SS..Hα-helixtrans-62.3-45.8174.4-75.9171.8-35.300111.9V27 V28 R33 R34 Y35V27-Q31 WeakPolarHBondContact O-CG 3.37Å; V27-Q31 PolarHBondContact O-N 2.96Å; V28-Q31 PolarHBondContact O-N 3.48Å; Q31-R33 VanDerWaalsContact C-N 3.32Å; Q31-R33 PolarHBondContact O-N 3.49Å; Q31-R34 PolarHBondContact O-N 2.89Å; Q31-Y35 WeakPolarHBondContact O-CB 3.35Å; Q31-Y35 PolarHBondContact O-N 3.32Å
32I91.8Very high91.3Very high1 Ų162.6 Ų62.61%0.00530%0.304CS..Hα-helixtrans-59.6-44.5175.6-68.3171.4000110.4Y19 L22 Y24 V28 R29 Y35 T36 L222 P248 Y250Y19-I32 HydrophobicContact CE1-CD1 4.49Å; L22-I32 HydrophobicContact CD2-CD1 3.98Å; Y24-I32 HydrophobicContact CD1-CD1 4.29Å; Y24-I32 HydrophobicContact CE1-CD1 3.87Å; V28-I32 HydrophobicContact CG1-CD1 4.09Å; V28-I32 WeakPolarHBondContact O-CG1 3.45Å; V28-I32 PolarHBondContact O-N 2.75Å; R29-I32 PolarHBondContact O-N 2.77Å; I32-Y35 PolarHBondContact O-N 3.42Å; I32-T36 WeakPolarHBondContact O-CB 3.35Å; I32-T36 PolarHBondContact O-N 3.32Å; I32-T36 PolarHBondContact O-OG1 3.07Å; I32-L222 HydrophobicContact CG2-CD1 4.27Å; I32-P248 HydrophobicContact CG2-CB 3.84Å; I32-P248 HydrophobicContact CG2-CG 3.76Å; I32-Y250 HydrophobicContact CB-CE2 3.9Å; I32-Y250 HydrophobicContact CG2-CD2 4.18Å; I32-Y250 HydrophobicContact CG2-CE2 3.49Å; I32-Y250 VanDerWaalsContact CG2-CE2 3.49Å
33R91.9Very high90.9Very high60 Ų6062.1 Ų62.123%0.22630%0.303CS..Hα-helixtrans-60.5-49.6177.7-74179.4-170.4125.9-3.7112.2R29 E30 Q31 Y35 T36 D37 Y250R29-R33 WeakPolarHBondContact O-CG 3.41Å; R29-R33 PolarHBondContact O-N 3.46Å; E30-R33 PolarHBondContact O-N 2.6Å; Q31-R33 VanDerWaalsContact C-N 3.32Å; Q31-R33 PolarHBondContact O-N 3.49Å; R33-Y35 VanDerWaalsContact C-N 3.3Å; R33-Y35 PolarHBondContact O-N 3.42Å; R33-T36 WeakPolarHBondContact O-CB 3.17Å; R33-T36 PolarHBondContact O-N 3.5Å; R33-T36 VanDerWaalsContact O-N 3.13Å; R33-D37 WeakPolarHBondContact O-CB 3.29Å; R33-D37 PolarHBondContact O-N 2.98Å; R33-Y250 HydrophobicContact CG-CD2 3.47Å; R33-Y250 VanDerWaalsContact CG-CD2 3.47Å; R33-Y250 HydrophobicContact CG-CE2 3.63Å; R33-Y250 HydrophobicContact CG-CG 4.46Å
34R89.5Confident90.4Very high147 Ų14760 Ų6056%0.55529%0.294SS*.Hα-helixtrans-60.3-41.5178.5-72177.7-171.6-175.71.8112.4E30 Q31 D37 S38E30-R34 WeakPolarHBondContact O-CG 3.33Å; E30-R34 PolarHBondContact O-N 3.31Å; E30-R34 IonicContact OE1-CZ 3.06Å; E30-R34 IonicContact OE1-NE 3.87Å; E30-R34 PolarHBondContact OE1-NE 3.29Å; E30-R34 IonicContact OE1-NH2 2.64Å; E30-R34 PolarHBondContact OE1-NH2 3.19Å; Q31-R34 PolarHBondContact O-N 2.89Å; R34-D37 PolarHBondContact O-N 3.25Å; R34-S38 PolarHBondContact O-N 2.79Å
35Y87.7Confident89.4Confident2 Ų259.4 Ų59.41%0.00829%0.292CS..Hα-helixtrans-61.8-46.4174.1173.2-113.9000111.3Q31 I32 R33 D37 S38 I39 I231 H233 H240 L247 P248Q31-Y35 WeakPolarHBondContact O-CB 3.35Å; Q31-Y35 PolarHBondContact O-N 3.32Å; I32-Y35 PolarHBondContact O-N 3.42Å; R33-Y35 VanDerWaalsContact C-N 3.3Å; R33-Y35 PolarHBondContact O-N 3.42Å; Y35-D37 PolarHBondContact O-N 2.78Å; Y35-S38 PolarHBondContact O-N 3.36Å; Y35-S38 PolarHBondContact O-OG 3.24Å; Y35-I39 HydrophobicContact CE2-CG1 4.44Å; Y35-I39 WeakPolarHBondContact O-CG1 3.4Å; Y35-I231 HydrophobicContact CE2-CG2 4.25Å; Y35-I231 WeakPolarHBondContact OH-CB 3.43Å; Y35-I231 WeakPolarHBondContact OH-CG2 3.41Å; Y35-H233 AromaticContact CE2-ND1 3.61Å; Y35-H233 AromaticContact CZ-CE1 3.69Å; Y35-H233 AromaticContact CZ-ND1 3.6Å; Y35-H233 PolarHBondContact OH-CE1 2.75Å; Y35-H233 VanDerWaalsContact OH-CE1 3.24Å; Y35-H240 AromaticContact CD1-NE2 3.65Å; Y35-L247 HydrophobicContact CD1-CD1 4.24Å; Y35-L247 HydrophobicContact CE1-CD1 3.77Å; Y35-P248 HydrophobicContact CD1-CG 4.17Å; Y35-P248 HydrophobicContact CE1-CG 4.34Å
36T90.4Very high87.7Confident9 Ų961.7 Ų61.76%0.05531%0.306CS..Hα-helixtrans-57.4-51176.2-49.50000110.6I32 R33 S38 I39 F40 P248 I249I32-T36 WeakPolarHBondContact O-CB 3.35Å; I32-T36 PolarHBondContact O-N 3.32Å; I32-T36 PolarHBondContact O-OG1 3.07Å; R33-T36 WeakPolarHBondContact O-CB 3.17Å; R33-T36 PolarHBondContact O-N 3.5Å; R33-T36 VanDerWaalsContact O-N 3.13Å; T36-S38 VanDerWaalsContact C-N 3.28Å; T36-S38 PolarHBondContact O-N 2.89Å; T36-I39 PolarHBondContact O-N 3.47Å; T36-I39 VanDerWaalsContact O-N 3.11Å; T36-F40 HydrophobicContact CG2-CD2 3.65Å; T36-F40 HydrophobicContact CG2-CE2 3.5Å; T36-F40 VanDerWaalsContact O-CD2 3.28Å; T36-F40 WeakPolarHBondContact O-CD2 3.27Å; T36-F40 PolarHBondContact O-N 3.4Å; T36-P248 PolarHBondContact OG1-O 2.88Å; T36-I249 HydrophobicContact CG2-CB 4.49Å; T36-I249 HydrophobicContact CG2-CG1 4.18Å; T36-I249 HydrophobicContact CG2-CG2 4.48Å
37D89.7Confident85.9Confident87 Ų8764.1 Ų64.147%0.46532%0.315SS..Hα-helixtrans-65.2-26.8-176.1-73.4-24.2000113.3R33 R34 Y35 I39R33-D37 WeakPolarHBondContact O-CB 3.29Å; R33-D37 PolarHBondContact O-N 2.98Å; R34-D37 PolarHBondContact O-N 3.25Å; Y35-D37 PolarHBondContact O-N 2.78Å; D37-I39 VanDerWaalsContact C-N 3.3Å
38S89.1Confident84Confident56 Ų5661.2 Ų61.239%0.39230%0.296SS..Hα-helixtrans-73.4-22.9175.8730000113.2R34 Y35 T36R34-S38 PolarHBondContact O-N 2.79Å; Y35-S38 PolarHBondContact O-N 3.36Å; Y35-S38 PolarHBondContact O-OG 3.24Å; T36-S38 VanDerWaalsContact C-N 3.28Å; T36-S38 PolarHBondContact O-N 2.89Å
39I89.5Confident82Confident49 Ų4968 Ų6825%0.25133%0.331SS..Hα-helixtrans-86-35.5177.6-56.3-49.8000111.6Y35 T36 D37 I231 L247Y35-I39 HydrophobicContact CE2-CG1 4.44Å; Y35-I39 WeakPolarHBondContact O-CG1 3.4Å; T36-I39 PolarHBondContact O-N 3.47Å; T36-I39 VanDerWaalsContact O-N 3.11Å; D37-I39 VanDerWaalsContact C-N 3.3Å; I39-I231 HydrophobicContact CD1-CG2 3.25Å; I39-I231 HydrophobicContact CG1-CG2 3.59Å; I39-I231 HydrophobicContact CG2-CG2 4.38Å; I39-L247 HydrophobicContact CB-CD1 4.31Å; I39-L247 HydrophobicContact CB-CD2 4.5Å; I39-L247 HydrophobicContact CG1-CD1 4.07Å; I39-L247 HydrophobicContact CG2-CD2 4.12Å
40F92Very high80Confident15 Ų1574 Ų747%0.06637%0.365CS..SBendtrans-76130.7-178.3-83.2-77.2000112.7T36 K42 H58 I60 F65 I67 L247 I249T36-F40 HydrophobicContact CG2-CD2 3.65Å; T36-F40 HydrophobicContact CG2-CE2 3.5Å; T36-F40 VanDerWaalsContact O-CD2 3.28Å; T36-F40 WeakPolarHBondContact O-CD2 3.27Å; T36-F40 PolarHBondContact O-N 3.4Å; F40-K42 PolarHBondContact O-N 3.19Å; F40-H58 HydrophobicContact CB-CB 4.16Å; F40-H58 HydrophobicContact CD1-CB 3.58Å; F40-H58 HydrophobicContact CE1-CB 4.13Å; F40-H58 HydrophobicContact CG-CB 3.96Å; F40-I60 HydrophobicContact CD1-CG1 3.79Å; F40-I60 HydrophobicContact CE1-CD1 3.96Å; F40-I60 HydrophobicContact CE1-CG1 3.54Å; F40-I60 HydrophobicContact CE2-CD1 4.47Å; F40-I60 HydrophobicContact CG-CG1 4.5Å; F40-I60 HydrophobicContact CZ-CD1 3.88Å; F40-I60 HydrophobicContact CZ-CG1 3.98Å; F40-F65 AromaticContact CE1-CD1 3.85Å; F40-F65 HydrophobicContact CE1-CD1 3.85Å; F40-F65 HydrophobicContact CE1-CE1 4.08Å; F40-F65 AromaticContact CZ-CD1 3.93Å; F40-F65 HydrophobicContact CZ-CD1 3.93Å; F40-F65 AromaticContact CZ-CE1 3.8Å; F40-F65 HydrophobicContact CZ-CE1 3.8Å; F40-I67 HydrophobicContact CE1-CD1 4.01Å; F40-I67 HydrophobicContact CE1-CG1 4.17Å; F40-I67 HydrophobicContact CE2-CD1 4.25Å; F40-I67 HydrophobicContact CZ-CD1 3.62Å; F40-I67 HydrophobicContact CZ-CG1 4.22Å; F40-L247 HydrophobicContact CE2-CD2 3.87Å; F40-L247 HydrophobicContact CZ-CD2 4.26Å; F40-I249 HydrophobicContact CE2-CD1 4.1Å; F40-I249 HydrophobicContact CE2-CG1 4.11Å; F40-I249 HydrophobicContact CZ-CD1 3.82Å; F40-I249 HydrophobicContact CZ-CG1 4.33Å
41K90.2Very high78Confident101 Ų10172.3 Ų72.344%0.43936%0.36SS..EExtended strand (participates in β ladder)trans-80.2115160.6179.4178.6175.3-175.90108.8T59 P61 S167K41-T59 PolarHBondContact N-O 3.03Å; K41-T59 PolarHBondContact O-N 3.36Å; K41-T59 PolarHBondContact O-OG1 2.73Å; K41-P61 HydrophobicContact CD-CG 4.4Å; K41-S167 PolarHBondContact NZ-OG 3.25Å
42K90.5Very high76.4Confident124 Ų12473.4 Ų73.454%0.53936%0.364SS..EExtended strand (participates in β ladder)trans-95126.7178.7-174.3-179.1-174.5-176.70111.6F40 V44F40-K42 PolarHBondContact O-N 3.19Å; K42-V44 HydrophobicContact CD-CG2 4.13Å; K42-V44 HydrophobicContact CG-CG2 4.1Å
43T84.2Confident74.7Confident23 Ų2376.8 Ų76.814%0.14139%0.388CS..EExtended strand (participates in β ladder)trans-113.9128.6166.9-51.60000108.9F45 S56 V57 E165T43-F45 HydrophobicContact CG2-CD1 4.32Å; T43-F45 HydrophobicContact CG2-CE1 3.51Å; T43-F45 HydrophobicContact CG2-CE2 3.84Å; T43-F45 HydrophobicContact CG2-CZ 3.23Å; T43-S56 CarbonylContact O-C 3.58Å; T43-S56 VanDerWaalsContact O-CA 3.31Å; T43-S56 WeakPolarHBondContact O-CA 3.4Å; T43-S56 WeakPolarHBondContact O-CB 3.26Å; T43-V57 PolarHBondContact N-O 2.68Å; T43-V57 PolarHBondContact O-N 2.83Å; T43-E165 PolarHBondContact OG1-O 2.98Å
44V81.7Confident74.1Confident80 Ų8078.6 Ų78.649%0.48540%0.403SS..EExtended strand (participates in β ladder)trans-112135-178.9-178.50000109.4K42K42-V44 HydrophobicContact CD-CG2 4.13Å; K42-V44 HydrophobicContact CG-CG2 4.1Å
45F73.8Confident74.1Confident15 Ų1571.6 Ų71.67%0.06638%0.376CS..EExtended strand (participates in β ladder)trans-119.9114.8-175.4-55.7-78.4000110.7T43 L48 C55 V57 L160 E165 I166T43-F45 HydrophobicContact CG2-CD1 4.32Å; T43-F45 HydrophobicContact CG2-CE1 3.51Å; T43-F45 HydrophobicContact CG2-CE2 3.84Å; T43-F45 HydrophobicContact CG2-CZ 3.23Å; F45-L48 HydrophobicContact CB-CB 4.48Å; F45-L48 HydrophobicContact CB-CD1 3.33Å; F45-L48 HydrophobicContact CB-CG 3.92Å; F45-L48 HydrophobicContact CD1-CD1 3.45Å; F45-L48 VanDerWaalsContact CD1-CD1 3.45Å; F45-L48 HydrophobicContact CD1-CG 4.18Å; F45-L48 HydrophobicContact CD2-CD1 3.72Å; F45-L48 HydrophobicContact CE1-CD1 4.1Å; F45-L48 HydrophobicContact CE2-CD1 4.36Å; F45-L48 HydrophobicContact CG-CD1 3.2Å; F45-L48 HydrophobicContact CG-CG 4.16Å; F45-C55 PolarHBondContact N-O 3.35Å; F45-V57 HydrophobicContact CD2-CG2 4.37Å; F45-V57 HydrophobicContact CE2-CB 3.99Å; F45-V57 HydrophobicContact CE2-CG2 3.69Å; F45-L160 HydrophobicContact CD1-CD2 4.39Å; F45-L160 HydrophobicContact CE1-CD2 3.66Å; F45-L160 HydrophobicContact CE2-CD1 4.01Å; F45-L160 HydrophobicContact CE2-CD2 4.14Å; F45-L160 HydrophobicContact CZ-CD1 3.94Å; F45-L160 HydrophobicContact CZ-CD2 3.5Å; F45-L160 VanDerWaalsContact CZ-CD2 3.5Å; F45-L160 HydrophobicContact CZ-CG 4.33Å; F45-E165 HydrophobicContact CE1-CB 3.86Å; F45-E165 HydrophobicContact CE1-CG 4.15Å; F45-E165 HydrophobicContact CZ-CB 4.12Å; F45-I166 HydrophobicContact CZ-CG2 4.45Å
46T58.4Low74.3Confident106 Ų10671.9 Ų71.965%0.6538%0.379SS*.SBendtrans-90-16.8-17846.90000113.5
47K53.7Low74.6Confident196 Ų19671.5 Ų71.585%0.85238%0.376SS*.  trans-152.766-178.5-68.7-173.2179.61770111.5
48L52.6Low74.8Confident30 Ų3067.9 Ų67.916%0.15736%0.356CS..  trans-89.3129.1162.6-87.6162.6000108.2F45 N50 S51 F156 L160F45-L48 HydrophobicContact CB-CB 4.48Å; F45-L48 HydrophobicContact CB-CD1 3.33Å; F45-L48 HydrophobicContact CB-CG 3.92Å; F45-L48 HydrophobicContact CD1-CD1 3.45Å; F45-L48 VanDerWaalsContact CD1-CD1 3.45Å; F45-L48 HydrophobicContact CD1-CG 4.18Å; F45-L48 HydrophobicContact CD2-CD1 3.72Å; F45-L48 HydrophobicContact CE1-CD1 4.1Å; F45-L48 HydrophobicContact CE2-CD1 4.36Å; F45-L48 HydrophobicContact CG-CD1 3.2Å; F45-L48 HydrophobicContact CG-CG 4.16Å; L48-N50 PolarHBondContact O-N 3.4Å; L48-N50 VanDerWaalsContact O-N 3.08Å; L48-S51 WeakPolarHBondContact CB-OG 3.49Å; L48-S51 PolarHBondContact O-N 2.96Å; L48-F156 HydrophobicContact CB-CE2 4.32Å; L48-F156 HydrophobicContact CD1-CE2 3.5Å; L48-F156 HydrophobicContact CD1-CZ 3.6Å; L48-F156 HydrophobicContact CG-CE2 4.33Å; L48-L160 HydrophobicContact CD1-CD2 3.86Å; L48-L160 HydrophobicContact CD2-CD2 4.41Å
49L48.9Very low75.2Confident162 Ų16265.2 Ų65.285%0.84834%0.338SS*.THydrogen-bonded Turntrans-53.5119.6173.7-93.8101.4000107.9
50N52.1Low75.4Confident162 Ų16263.3 Ų63.387%0.86633%0.328SS*.THydrogen-bonded Turntrans80.78.7176.5-46.7-30.8000117.8L48L48-N50 PolarHBondContact O-N 3.4Å; L48-N50 VanDerWaalsContact O-N 3.08Å
51S50.8Low75.3Confident21 Ų2164.4 Ų64.415%0.14734%0.336CS..SBendtrans-111.8147.6166.572.30000111.2L48L48-S51 WeakPolarHBondContact CB-OG 3.49Å; L48-S51 PolarHBondContact O-N 2.96Å
52H55.5Low75.4Confident95 Ų9562.6 Ų62.644%0.4433%0.334SS..  trans-53.7155.8171.3-76.4-77.5000111.4D54 C55 S73H52-D54 PolarHBondContact O-N 3.07Å; H52-C55 PolarHBondContact O-N 3.5Å; H52-S73 WeakPolarHBondContact NE2-CA 3.47Å; H52-S73 WeakPolarHBondContact NE2-CB 3.5Å
53S57.2Low75.6Confident72 Ų7256.9 Ų56.950%0.50331%0.309SS..THydrogen-bonded Turntrans-55.5-5.6-171.9450000116.5
54D79.1Confident76.2Confident99 Ų9955.9 Ų55.953%0.52930%0.303SS..THydrogen-bonded Turntrans-138.220.9-167.4-56.7-68.3000112.9H52 S56 N70H52-D54 PolarHBondContact O-N 3.07Å; D54-S56 PolarHBondContact O-N 2.63Å; D54-N70 PolarHBondContact O-ND2 3.06Å
55C89.3Confident76.9Confident0 Ų052.1 Ų52.10%028%0.28CS..EExtended strand (participates in β ladder)trans-62.6132.2171.1-174.30000109.5F45 H52 K69F45-C55 PolarHBondContact N-O 3.35Å; H52-C55 PolarHBondContact O-N 3.5Å; C55-K69 WeakPolarHBondContact CA-O 3.34Å; C55-K69 PolarHBondContact SG-O 3.19Å
56S92.7Very high78.1Confident8 Ų851.4 Ų51.46%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-134.1147.6175.461.40000110.8T43 D54 K69T43-S56 CarbonylContact O-C 3.58Å; T43-S56 VanDerWaalsContact O-CA 3.31Å; T43-S56 WeakPolarHBondContact O-CA 3.4Å; T43-S56 WeakPolarHBondContact O-CB 3.26Å; D54-S56 PolarHBondContact O-N 2.63Å; S56-K69 PolarHBondContact N-O 3.38Å; S56-K69 VanDerWaalsContact N-O 3.1Å; S56-K69 PolarHBondContact O-N 3.02Å
57V94.9Very high80Confident0 Ų046.4 Ų46.40%025%0.246CC..EExtended strand (participates in β ladder)trans-116.4120.5179.1-178.70000108.3T43 F45 T59 I67 L68 F156 L160 I166T43-V57 PolarHBondContact N-O 2.68Å; T43-V57 PolarHBondContact O-N 2.83Å; F45-V57 HydrophobicContact CD2-CG2 4.37Å; F45-V57 HydrophobicContact CE2-CB 3.99Å; F45-V57 HydrophobicContact CE2-CG2 3.69Å; V57-T59 HydrophobicContact CG1-CG2 3.64Å; V57-I67 WeakPolarHBondContact CA-O 3.11Å; V57-L68 HydrophobicContact CB-CD2 4.36Å; V57-L68 HydrophobicContact CG1-CD2 3.98Å; V57-L68 HydrophobicContact CG2-CD2 3.55Å; V57-F156 HydrophobicContact CG2-CE1 3.94Å; V57-L160 HydrophobicContact CB-CD1 4.46Å; V57-L160 HydrophobicContact CG2-CD1 3.69Å; V57-I166 HydrophobicContact CB-CG2 4.44Å; V57-I166 HydrophobicContact CG1-CG2 4.19Å
58H95.6Very high82Confident11 Ų1137.1 Ų37.15%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-100.2125.5173.9-70.4-128.5000107.5F40 F66 I67F40-H58 HydrophobicContact CB-CB 4.16Å; F40-H58 HydrophobicContact CD1-CB 3.58Å; F40-H58 HydrophobicContact CE1-CB 4.13Å; F40-H58 HydrophobicContact CG-CB 3.96Å; H58-F66 CarbonylContact O-C 3.58Å; H58-F66 WeakPolarHBondContact O-CA 3.46Å; H58-I67 HydrophobicContact CB-CB 4.25Å; H58-I67 PolarHBondContact N-O 3.33Å; H58-I67 PolarHBondContact O-N 2.86Å
59T95.6Very high84Confident1 Ų137.6 Ų37.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-125.9146.7-174.865.40000112.4K41 V57 F65 F66 I166K41-T59 PolarHBondContact N-O 3.03Å; K41-T59 PolarHBondContact O-N 3.36Å; K41-T59 PolarHBondContact O-OG1 2.73Å; V57-T59 HydrophobicContact CG1-CG2 3.64Å; T59-F65 CarbonylContact C-O 3.51Å; T59-F65 WeakPolarHBondContact CA-O 3.42Å; T59-F66 HydrophobicContact CG2-CD1 3.53Å; T59-F66 HydrophobicContact CG2-CE1 4.01Å; T59-I166 HydrophobicContact CG2-CB 4.28Å; T59-I166 HydrophobicContact CG2-CG2 4.19Å
60I94.5Very high86Confident9 Ų934.4 Ų34.45%0.04619%0.191CC..EExtended strand (participates in β ladder)trans-112.190.4160.8-49.4175.4000106.2F40 T62 E63 D64 F65 L225 L247F40-I60 HydrophobicContact CD1-CG1 3.79Å; F40-I60 HydrophobicContact CE1-CD1 3.96Å; F40-I60 HydrophobicContact CE1-CG1 3.54Å; F40-I60 HydrophobicContact CE2-CD1 4.47Å; F40-I60 HydrophobicContact CG-CG1 4.5Å; F40-I60 HydrophobicContact CZ-CD1 3.88Å; F40-I60 HydrophobicContact CZ-CG1 3.98Å; I60-T62 PolarHBondContact O-N 3.46Å; I60-T62 VanDerWaalsContact O-N 3.16Å; I60-E63 HydrophobicContact CB-CB 4.16Å; I60-E63 HydrophobicContact CB-CG 4.28Å; I60-E63 HydrophobicContact CG2-CB 3.98Å; I60-E63 HydrophobicContact CG2-CG 3.6Å; I60-E63 PolarHBondContact O-N 2.71Å; I60-D64 PolarHBondContact O-N 2.92Å; I60-F65 HydrophobicContact CB-CB 4.29Å; I60-F65 HydrophobicContact CD1-CB 4.43Å; I60-F65 HydrophobicContact CD1-CD1 4.15Å; I60-F65 HydrophobicContact CG1-CB 4.49Å; I60-F65 HydrophobicContact CG1-CD1 4.42Å; I60-F65 PolarHBondContact N-O 3.33Å; I60-L225 HydrophobicContact CD1-CD2 4.1Å; I60-L247 HydrophobicContact CD1-CD2 3.45Å; I60-L247 VanDerWaalsContact CD1-CD2 3.45Å
61P90.6Very high87.9Confident37 Ų3727.3 Ų27.324%0.2415%0.152CC..THydrogen-bonded Turntrans-60.4-29.9-168.8-27.636.2000114.6K41 E63 S169K41-P61 HydrophobicContact CD-CG 4.4Å; P61-E63 PolarHBondContact O-N 3.16Å; P61-S169 PolarHBondContact O-N 3.34Å
62T91.6Very high89.9Confident63 Ų6326.9 Ų26.939%0.38715%0.147SC..THydrogen-bonded Turntrans-70.1-20.3177.549.20000113.1I60 K262I60-T62 PolarHBondContact O-N 3.46Å; I60-T62 VanDerWaalsContact O-N 3.16Å; T62-K262 WeakPolarHBondContact O-CD 3.41Å; T62-K262 WeakPolarHBondContact O-CE 3.41Å; T62-K262 PolarHBondContact O-NZ 2.65Å
63E95.2Very high91.6Very high5 Ų523.3 Ų23.32%0.02313%0.133CC..THydrogen-bonded Turntrans-107.4-14.3-178.2-59.1-60.4158.700112.8I60 P61 F65 T227 S228 K262 S263I60-E63 HydrophobicContact CB-CB 4.16Å; I60-E63 HydrophobicContact CB-CG 4.28Å; I60-E63 HydrophobicContact CG2-CB 3.98Å; I60-E63 HydrophobicContact CG2-CG 3.6Å; I60-E63 PolarHBondContact O-N 2.71Å; P61-E63 PolarHBondContact O-N 3.16Å; E63-F65 HydrophobicContact CB-CB 4.16Å; E63-F65 PolarHBondContact O-N 3.18Å; E63-T227 HydrophobicContact CG-CG2 4.3Å; E63-S228 VanDerWaalsContact CD-OG 3.26Å; E63-S228 WeakPolarHBondContact OE1-CB 3.45Å; E63-S228 PolarHBondContact OE1-N 2.78Å; E63-S228 PolarHBondContact OE1-OG 3.27Å; E63-S228 WeakPolarHBondContact OE2-CB 3.13Å; E63-S228 PolarHBondContact OE2-N 3.04Å; E63-S228 PolarHBondContact OE2-OG 2.86Å; E63-K262 PolarHBondContact O-N 3.31Å; E63-S263 WeakPolarHBondContact O-CB 3.39Å; E63-S263 PolarHBondContact O-N 3.12Å; E63-S263 PolarHBondContact O-OG 3.36Å
64D96.4Very high93.2Very high2 Ų223.3 Ų23.31%0.01113%0.132CC..THydrogen-bonded Turntrans52.243.3-166.7-66.6-46.6000112.3I60 F66 S168 S169 A260 S263I60-D64 PolarHBondContact O-N 2.92Å; D64-F66 VanDerWaalsContact C-CE2 3.43Å; D64-F66 HydrophobicContact CB-CE2 4.04Å; D64-F66 HydrophobicContact CB-CZ 4.21Å; D64-F66 WeakPolarHBondContact O-CD2 3.36Å; D64-F66 WeakPolarHBondContact O-CE2 3.27Å; D64-S168 VanDerWaalsContact CG-OG 3.3Å; D64-S168 WeakPolarHBondContact OD1-CA 3.39Å; D64-S168 WeakPolarHBondContact OD1-CB 3.49Å; D64-S168 PolarHBondContact OD1-OG 3.48Å; D64-S168 PolarHBondContact OD2-OG 2.92Å; D64-S169 PolarHBondContact OD1-N 3.45Å; D64-S169 WeakPolarHBondContact OD2-CB 3.15Å; D64-S169 PolarHBondContact OD2-N 3.11Å; D64-S169 PolarHBondContact OD2-OG 3.3Å; D64-A260 HydrophobicContact CB-CB 4.44Å; D64-A260 WeakPolarHBondContact CB-O 3.47Å; D64-A260 PolarHBondContact O-N 3.44Å; D64-A260 VanDerWaalsContact O-N 3.14Å; D64-S263 PolarHBondContact O-OG 3.41Å
65F97.5Very high93.8Very high0 Ų024.1 Ų24.10%014%0.135CC..EExtended strand (participates in β ladder)trans-102.9126.8174.4-175.2-89.5000109.7F40 T59 I60 E63 I67 F223 L225 I249 V257 M259F40-F65 AromaticContact CE1-CD1 3.85Å; F40-F65 HydrophobicContact CE1-CD1 3.85Å; F40-F65 HydrophobicContact CE1-CE1 4.08Å; F40-F65 AromaticContact CZ-CD1 3.93Å; F40-F65 HydrophobicContact CZ-CD1 3.93Å; F40-F65 AromaticContact CZ-CE1 3.8Å; F40-F65 HydrophobicContact CZ-CE1 3.8Å; T59-F65 CarbonylContact C-O 3.51Å; T59-F65 WeakPolarHBondContact CA-O 3.42Å; I60-F65 HydrophobicContact CB-CB 4.29Å; I60-F65 HydrophobicContact CD1-CB 4.43Å; I60-F65 HydrophobicContact CD1-CD1 4.15Å; I60-F65 HydrophobicContact CG1-CB 4.49Å; I60-F65 HydrophobicContact CG1-CD1 4.42Å; I60-F65 PolarHBondContact N-O 3.33Å; E63-F65 HydrophobicContact CB-CB 4.16Å; E63-F65 PolarHBondContact O-N 3.18Å; F65-I67 HydrophobicContact CD1-CG1 4.33Å; F65-I67 HydrophobicContact CE1-CD1 3.89Å; F65-I67 HydrophobicContact CE1-CG1 3.57Å; F65-I67 HydrophobicContact CZ-CG1 4.32Å; F65-F223 AromaticContact CE2-CE1 3.94Å; F65-F223 HydrophobicContact CE2-CE1 3.94Å; F65-F223 HydrophobicContact CE2-CZ 4.45Å; F65-F223 HydrophobicContact CZ-CD1 4.47Å; F65-F223 AromaticContact CZ-CE1 3.92Å; F65-F223 HydrophobicContact CZ-CE1 3.92Å; F65-L225 HydrophobicContact CB-CD2 4.24Å; F65-L225 HydrophobicContact CD1-CD2 4.11Å; F65-L225 HydrophobicContact CD2-CD1 4.05Å; F65-L225 HydrophobicContact CD2-CD2 3.55Å; F65-L225 HydrophobicContact CD2-CG 4.44Å; F65-L225 HydrophobicContact CE1-CD2 4.36Å; F65-L225 HydrophobicContact CE2-CD1 4.02Å; F65-L225 HydrophobicContact CE2-CD2 3.82Å; F65-L225 HydrophobicContact CE2-CG 4.45Å; F65-L225 HydrophobicContact CG-CD2 3.7Å; F65-L225 HydrophobicContact CZ-CD2 4.22Å; F65-I249 HydrophobicContact CE1-CD1 3.69Å; F65-I249 HydrophobicContact CZ-CD1 3.83Å; F65-V257 HydrophobicContact CD2-CG1 4.4Å; F65-V257 HydrophobicContact CE1-CG1 4.42Å; F65-V257 HydrophobicContact CE2-CG1 3.48Å; F65-V257 VanDerWaalsContact CE2-CG1 3.48Å; F65-V257 HydrophobicContact CZ-CG1 3.5Å; F65-V257 VanDerWaalsContact CZ-CG1 3.5Å; F65-V257 HydrophobicContact CZ-CG2 4.31Å; F65-M259 HydrophobicContact CD2-CG 3.83Å; F65-M259 HydrophobicContact CE2-CG 3.73Å; F65-M259 HydrophobicContact CE2-SD 4.3Å
66F97.7Very high94Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-125.5140.3-175.8-46.8-91.3000110.8H58 T59 D64 L157 I166 L174 V257 I258 A260H58-F66 CarbonylContact O-C 3.58Å; H58-F66 WeakPolarHBondContact O-CA 3.46Å; T59-F66 HydrophobicContact CG2-CD1 3.53Å; T59-F66 HydrophobicContact CG2-CE1 4.01Å; D64-F66 VanDerWaalsContact C-CE2 3.43Å; D64-F66 HydrophobicContact CB-CE2 4.04Å; D64-F66 HydrophobicContact CB-CZ 4.21Å; D64-F66 WeakPolarHBondContact O-CD2 3.36Å; D64-F66 WeakPolarHBondContact O-CE2 3.27Å; F66-L157 HydrophobicContact CB-CD1 4.37Å; F66-L157 HydrophobicContact CD1-CD1 3.72Å; F66-L157 HydrophobicContact CD2-CD1 4.02Å; F66-L157 HydrophobicContact CD2-CD2 4.24Å; F66-L157 HydrophobicContact CE1-CD1 4.02Å; F66-L157 HydrophobicContact CE2-CD1 4.26Å; F66-L157 HydrophobicContact CE2-CD2 4.31Å; F66-L157 HydrophobicContact CG-CD1 3.76Å; F66-L157 HydrophobicContact CZ-CD1 4.28Å; F66-I166 HydrophobicContact CD1-CD1 3.86Å; F66-I166 HydrophobicContact CE1-CD1 3.72Å; F66-I166 HydrophobicContact CE1-CG1 4.48Å; F66-L174 HydrophobicContact CE2-CD2 3.9Å; F66-L174 HydrophobicContact CZ-CD2 3.79Å; F66-V257 CarbonylContact O-C 3.46Å; F66-V257 WeakPolarHBondContact O-CA 3.43Å; F66-I258 HydrophobicContact CB-CB 4.19Å; F66-I258 HydrophobicContact CD2-CB 4.23Å; F66-I258 HydrophobicContact CD2-CG2 4.49Å; F66-I258 PolarHBondContact N-O 2.99Å; F66-I258 PolarHBondContact O-N 3.36Å; F66-A260 HydrophobicContact CE2-CB 4.36Å
67I97.9Very high94.1Very high2 Ų227.8 Ų27.81%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-122.2118.4165.9-48178.3000108.2F40 V57 H58 F65 K69 I249 L251 D255 V256 V257F40-I67 HydrophobicContact CE1-CD1 4.01Å; F40-I67 HydrophobicContact CE1-CG1 4.17Å; F40-I67 HydrophobicContact CE2-CD1 4.25Å; F40-I67 HydrophobicContact CZ-CD1 3.62Å; F40-I67 HydrophobicContact CZ-CG1 4.22Å; V57-I67 WeakPolarHBondContact CA-O 3.11Å; H58-I67 HydrophobicContact CB-CB 4.25Å; H58-I67 PolarHBondContact N-O 3.33Å; H58-I67 PolarHBondContact O-N 2.86Å; F65-I67 HydrophobicContact CD1-CG1 4.33Å; F65-I67 HydrophobicContact CE1-CD1 3.89Å; F65-I67 HydrophobicContact CE1-CG1 3.57Å; F65-I67 HydrophobicContact CZ-CG1 4.32Å; I67-K69 HydrophobicContact CG2-CG 4.11Å; I67-I249 HydrophobicContact CD1-CG2 3.5Å; I67-L251 HydrophobicContact CD1-CD2 4.26Å; I67-D255 HydrophobicContact CG2-CB 4.35Å; I67-V256 CarbonylContact C-O 3.53Å; I67-V256 VanDerWaalsContact CA-O 3.26Å; I67-V256 WeakPolarHBondContact CA-O 3.48Å; I67-V257 HydrophobicContact CG1-CG2 4.39Å
68L96.1Very high94.1Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-88.8120.5168.2-38.2-177.8000108.2V57 F71 I153 F156 V256 I258V57-L68 HydrophobicContact CB-CD2 4.36Å; V57-L68 HydrophobicContact CG1-CD2 3.98Å; V57-L68 HydrophobicContact CG2-CD2 3.55Å; L68-F71 HydrophobicContact CB-CB 3.96Å; L68-F71 HydrophobicContact CB-CG 4.44Å; L68-F71 HydrophobicContact CD1-CB 4.46Å; L68-F71 HydrophobicContact CD1-CD2 3.92Å; L68-F71 HydrophobicContact CD1-CE2 4.33Å; L68-F71 HydrophobicContact CD1-CG 4.06Å; L68-I153 HydrophobicContact CD1-CG2 3.95Å; L68-F156 HydrophobicContact CD1-CD1 4.01Å; L68-F156 HydrophobicContact CD1-CE1 4.42Å; L68-F156 HydrophobicContact CD2-CD1 4.29Å; L68-F156 HydrophobicContact CD2-CE1 4.19Å; L68-V256 HydrophobicContact CB-CB 4.09Å; L68-V256 HydrophobicContact CD1-CB 4.34Å; L68-V256 HydrophobicContact CD1-CG1 4.36Å; L68-V256 HydrophobicContact CG-CB 4.23Å; L68-V256 PolarHBondContact N-O 2.86Å; L68-V256 PolarHBondContact O-N 3.21Å; L68-I258 HydrophobicContact CD1-CD1 4.13Å; L68-I258 HydrophobicContact CD2-CD1 4.38Å; L68-I258 HydrophobicContact CG-CD1 4.26Å
69K94.3Very high94.1Very high40 Ų4031.5 Ų31.517%0.17417%0.171CC..EExtended strand (participates in β ladder)trans-106.4141.5174.1-57.2-159.7175-159.30109.7C55 S56 I67 F71C55-K69 WeakPolarHBondContact CA-O 3.34Å; C55-K69 PolarHBondContact SG-O 3.19Å; S56-K69 PolarHBondContact N-O 3.38Å; S56-K69 VanDerWaalsContact N-O 3.1Å; S56-K69 PolarHBondContact O-N 3.02Å; I67-K69 HydrophobicContact CG2-CG 4.11Å; K69-F71 PolarHBondContact O-N 3.11Å
70N91.3Very high94.2Very high96 Ų9631.4 Ų31.451%0.51317%0.171SC..SBendtrans52.735.8-177.6-52.5-39.6000113.2D54D54-N70 PolarHBondContact O-ND2 3.06Å
71F93.1Very high94.3Very high13 Ų1331 Ų316%0.05717%0.169CC..  trans-72.4-45.2179.6177.9-103.5000111.5L68 K69 I153 F156L68-F71 HydrophobicContact CB-CB 3.96Å; L68-F71 HydrophobicContact CB-CG 4.44Å; L68-F71 HydrophobicContact CD1-CB 4.46Å; L68-F71 HydrophobicContact CD1-CD2 3.92Å; L68-F71 HydrophobicContact CD1-CE2 4.33Å; L68-F71 HydrophobicContact CD1-CG 4.06Å; K69-F71 PolarHBondContact O-N 3.11Å; F71-I153 HydrophobicContact CD1-CG1 4.02Å; F71-I153 HydrophobicContact CE1-CB 4.47Å; F71-I153 HydrophobicContact CE1-CG1 3.45Å; F71-I153 VanDerWaalsContact CE1-CG1 3.45Å; F71-I153 HydrophobicContact CZ-CG1 4.02Å; F71-F156 HydrophobicContact CD2-CD1 4.05Å; F71-F156 HydrophobicContact CD2-CE1 4.16Å; F71-F156 HydrophobicContact CD2-CG 4.29Å; F71-F156 HydrophobicContact CE2-CB 3.8Å; F71-F156 AromaticContact CE2-CD1 3.75Å; F71-F156 HydrophobicContact CE2-CD1 3.75Å; F71-F156 AromaticContact CE2-CD2 3.95Å; F71-F156 HydrophobicContact CE2-CD2 3.95Å; F71-F156 HydrophobicContact CE2-CE1 4.25Å; F71-F156 HydrophobicContact CE2-CE2 4.41Å; F71-F156 AromaticContact CE2-CG 3.57Å; F71-F156 HydrophobicContact CE2-CG 3.57Å; F71-F156 HydrophobicContact CZ-CB 4.25Å; F71-F156 HydrophobicContact CZ-CG 4.48Å
72F92.5Very high94.5Very high11 Ų1129.4 Ų29.45%0.04816%0.158CC..SBendtrans-83.7149.5-177.6-60.2-63.6000113.1E76 I77 L80 T149 I153 I215 V256F72-E76 HydrophobicContact CB-CB 4.25Å; F72-E76 HydrophobicContact CD1-CB 4.12Å; F72-I77 HydrophobicContact CB-CD1 3.97Å; F72-I77 HydrophobicContact CB-CG1 3.44Å; F72-I77 VanDerWaalsContact CB-CG1 3.44Å; F72-I77 HydrophobicContact CD2-CG1 4.09Å; F72-I77 HydrophobicContact CG-CG1 4.04Å; F72-L80 HydrophobicContact CE1-CD1 4.27Å; F72-L80 HydrophobicContact CZ-CD1 4.33Å; F72-T149 HydrophobicContact CE1-CG2 3.49Å; F72-T149 VanDerWaalsContact CE1-CG2 3.49Å; F72-T149 HydrophobicContact CZ-CG2 3.87Å; F72-I153 HydrophobicContact CE1-CD1 4.3Å; F72-I153 HydrophobicContact CZ-CD1 3.86Å; F72-I153 HydrophobicContact CZ-CG1 4.48Å; F72-I215 HydrophobicContact CE2-CG2 3.76Å; F72-I215 HydrophobicContact CZ-CD1 4.07Å; F72-I215 HydrophobicContact CZ-CG1 4.33Å; F72-I215 HydrophobicContact CZ-CG2 4.14Å; F72-V256 HydrophobicContact CD2-CG2 4.25Å; F72-V256 HydrophobicContact CE2-CG2 3.32Å; F72-V256 HydrophobicContact CZ-CG2 3.68Å
73S91.1Very high94.7Very high21 Ų2126.4 Ų26.415%0.14714%0.139CC..  trans-70.3157.4158.568.60000112.1H52 I75 E76 I77H52-S73 WeakPolarHBondContact NE2-CA 3.47Å; H52-S73 WeakPolarHBondContact NE2-CB 3.5Å; S73-I75 PolarHBondContact O-N 3.47Å; S73-E76 WeakPolarHBondContact CB-OE2 3.28Å; S73-E76 PolarHBondContact N-OE2 3.2Å; S73-E76 PolarHBondContact O-N 2.92Å; S73-E76 VanDerWaalsContact OG-CG 3.29Å; S73-E76 WeakPolarHBondContact OG-CG 3.17Å; S73-E76 PolarHBondContact OG-N 2.77Å; S73-E76 PolarHBondContact OG-OE2 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.48Å; S73-I77 PolarHBondContact O-N 3.38Å; S73-I77 VanDerWaalsContact O-N 3.11Å
74P89.7Confident94.7Very high72 Ų7226.2 Ų26.247%0.46814%0.138SC..Hα-helixtrans-54.1-36.6172.6-27.435.7000113E78P74-E78 WeakPolarHBondContact O-CB 3.4Å; P74-E78 WeakPolarHBondContact O-CG 3.25Å; P74-E78 PolarHBondContact O-N 3.13Å
75I92.3Very high94.5Very high115 Ų11526.1 Ų26.159%0.5914%0.138SC*.Hα-helixtrans-66.6-47.9-179.9-61.6172.4000110.6S73 I77 E78 D79S73-I75 PolarHBondContact O-N 3.47Å; I75-I77 VanDerWaalsContact C-N 3.32Å; I75-I77 PolarHBondContact O-N 3.42Å; I75-E78 PolarHBondContact O-N 3.24Å; I75-E78 VanDerWaalsContact O-N 3.12Å; I75-D79 PolarHBondContact O-N 3.36Å
76E94.4Very high94.2Very high68 Ų6826.6 Ų26.632%0.31814%0.141SC..Hα-helixtrans-62-40.1178.9-72164.5123.200112.2F72 S73 E78 L80F72-E76 HydrophobicContact CB-CB 4.25Å; F72-E76 HydrophobicContact CD1-CB 4.12Å; S73-E76 WeakPolarHBondContact CB-OE2 3.28Å; S73-E76 PolarHBondContact N-OE2 3.2Å; S73-E76 PolarHBondContact O-N 2.92Å; S73-E76 VanDerWaalsContact OG-CG 3.29Å; S73-E76 WeakPolarHBondContact OG-CG 3.17Å; S73-E76 PolarHBondContact OG-N 2.77Å; S73-E76 PolarHBondContact OG-OE2 3.29Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.48Å; E76-L80 VanDerWaalsContact O-N 3.12Å
77I93.7Very high93.9Very high18 Ų1831.7 Ų31.79%0.09217%0.165CC..Hα-helixtrans-59.8-47.5173.8-68.3-178000110.2F72 S73 I75 L80 W81 F217 H253F72-I77 HydrophobicContact CB-CD1 3.97Å; F72-I77 HydrophobicContact CB-CG1 3.44Å; F72-I77 VanDerWaalsContact CB-CG1 3.44Å; F72-I77 HydrophobicContact CD2-CG1 4.09Å; F72-I77 HydrophobicContact CG-CG1 4.04Å; S73-I77 WeakPolarHBondContact O-CG1 3.48Å; S73-I77 PolarHBondContact O-N 3.38Å; S73-I77 VanDerWaalsContact O-N 3.11Å; I75-I77 VanDerWaalsContact C-N 3.32Å; I75-I77 PolarHBondContact O-N 3.42Å; I77-L80 PolarHBondContact O-N 2.9Å; I77-W81 HydrophobicContact CG2-CE3 4.47Å; I77-W81 WeakPolarHBondContact O-CB 3.39Å; I77-W81 PolarHBondContact O-N 2.85Å; I77-F217 HydrophobicContact CB-CE1 4.28Å; I77-F217 HydrophobicContact CG1-CE1 4.08Å; I77-F217 HydrophobicContact CG2-CD1 3.86Å; I77-F217 HydrophobicContact CG2-CE1 3.87Å; I77-H253 WeakPolarHBondContact CG2-CE1 3.41Å; I77-H253 WeakPolarHBondContact CG2-NE2 3.5Å
78E94.6Very high93.7Very high20 Ų2031.8 Ų31.89%0.09317%0.165CC..Hα-helixtrans-65.7-40-177.4-74.4164.9-139.700112.6P74 I75 E76 W81 L82 R288 V289P74-E78 WeakPolarHBondContact O-CB 3.4Å; P74-E78 WeakPolarHBondContact O-CG 3.25Å; P74-E78 PolarHBondContact O-N 3.13Å; I75-E78 PolarHBondContact O-N 3.24Å; I75-E78 VanDerWaalsContact O-N 3.12Å; E76-E78 VanDerWaalsContact C-N 3.34Å; E78-W81 PolarHBondContact O-N 3.3Å; E78-L82 WeakPolarHBondContact O-CB 3.35Å; E78-L82 PolarHBondContact O-N 3.36Å; E78-R288 IonicContact OE1-CZ 3.22Å; E78-R288 IonicContact OE1-NE 3.02Å; E78-R288 PolarHBondContact OE1-NE 3.48Å; E78-R288 IonicContact OE1-NH2 2.58Å; E78-R288 PolarHBondContact OE1-NH2 3.48Å; E78-R288 WeakPolarHBondContact OE2-CB 3.3Å; E78-R288 WeakPolarHBondContact OE2-CD 3.15Å; E78-R288 IonicContact OE2-NE 3.01Å; E78-R288 PolarHBondContact OE2-NE 2.72Å; E78-V289 HydrophobicContact CB-CG2 4.1Å; E78-V289 HydrophobicContact CG-CG2 3.97Å
79D96.3Very high93.3Very high68 Ų6831.9 Ų31.936%0.36417%0.165SC..Hα-helixtrans-64-46.6176.8-75.4-23.2000111.3I75 W81 L82 A83 L145I75-D79 PolarHBondContact O-N 3.36Å; D79-W81 PolarHBondContact O-N 2.87Å; D79-L82 PolarHBondContact O-N 2.89Å; D79-A83 WeakPolarHBondContact O-CB 3.3Å; D79-A83 PolarHBondContact O-N 3.4Å; D79-L145 HydrophobicContact CB-CD2 4.2Å
80L97.3Very high93Very high0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-64.4-41.5176.5-73163.9000111.9F72 E76 I77 A83 A84 L145 L146 T149 F217 M324F72-L80 HydrophobicContact CE1-CD1 4.27Å; F72-L80 HydrophobicContact CZ-CD1 4.33Å; E76-L80 WeakPolarHBondContact O-CG 3.47Å; E76-L80 PolarHBondContact O-N 3.48Å; E76-L80 VanDerWaalsContact O-N 3.12Å; I77-L80 PolarHBondContact O-N 2.9Å; L80-A83 PolarHBondContact O-N 3.02Å; L80-A84 WeakPolarHBondContact O-CB 3.46Å; L80-A84 PolarHBondContact O-N 3.12Å; L80-L145 HydrophobicContact CD2-CD2 4.09Å; L80-L145 HydrophobicContact CD2-CG 3.92Å; L80-L145 HydrophobicContact CG-CD2 4.44Å; L80-L146 HydrophobicContact CD2-CD1 4.11Å; L80-T149 HydrophobicContact CD1-CG2 3.65Å; L80-T149 HydrophobicContact CD2-CG2 4.37Å; L80-F217 HydrophobicContact CB-CE2 3.59Å; L80-F217 HydrophobicContact CB-CZ 3.73Å; L80-F217 HydrophobicContact CD1-CE2 4.39Å; L80-F217 HydrophobicContact CD1-CZ 3.81Å; L80-F217 HydrophobicContact CG-CZ 4.42Å; L80-M324 HydrophobicContact CB-CE 4.42Å
81W95.8Very high93Very high1 Ų127.6 Ų27.60%0.00415%0.145CC..Hα-helixtrans-65.7-43.4179.2-160-4.7000111.2I77 E78 D79 A84 L85 F217 H253 V282 A286 V289 I317I77-W81 HydrophobicContact CG2-CE3 4.47Å; I77-W81 WeakPolarHBondContact O-CB 3.39Å; I77-W81 PolarHBondContact O-N 2.85Å; E78-W81 PolarHBondContact O-N 3.3Å; D79-W81 PolarHBondContact O-N 2.87Å; W81-A84 PolarHBondContact O-N 2.72Å; W81-L85 HydrophobicContact CG-CD1 4.4Å; W81-L85 WeakPolarHBondContact O-CB 3.13Å; W81-L85 VanDerWaalsContact O-CG 3.28Å; W81-L85 WeakPolarHBondContact O-CG 3.29Å; W81-L85 PolarHBondContact O-N 3.32Å; W81-L85 VanDerWaalsContact O-N 3.09Å; W81-F217 HydrophobicContact CB-CD2 4.45Å; W81-F217 HydrophobicContact CD2-CB 4.37Å; W81-H253 AromaticContact CE3-CE1 3.73Å; W81-H253 AromaticContact CH2-CE1 3.99Å; W81-H253 AromaticContact CZ3-CE1 3.39Å; W81-H253 WeakPolarHBondContact CZ3-CE1 3.48Å; W81-H253 AromaticContact CZ3-NE2 3.94Å; W81-V282 HydrophobicContact CH2-CG1 4.27Å; W81-A286 HydrophobicContact CH2-CB 3.9Å; W81-A286 HydrophobicContact CZ3-CB 4.27Å; W81-V289 HydrophobicContact CB-CG2 4.06Å; W81-V289 HydrophobicContact CD2-CG2 4.16Å; W81-V289 HydrophobicContact CE3-CG2 3.93Å; W81-V289 HydrophobicContact CG-CG1 4.38Å; W81-V289 HydrophobicContact CG-CG2 4.21Å; W81-I317 HydrophobicContact CD2-CG2 4.36Å; W81-I317 VanDerWaalsContact CE2-CG2 3.44Å; W81-I317 HydrophobicContact CH2-CG2 3.57Å; W81-I317 HydrophobicContact CZ2-CB 4.46Å; W81-I317 HydrophobicContact CZ2-CG2 3.02Å; W81-I317 HydrophobicContact CZ3-CG2 4.41Å
82L95.3Very high92.8Very high3 Ų331.9 Ų31.92%0.01617%0.174CC..Hα-helixtrans-62.2-48.2175.3-179.564.9000111.1E78 D79 A84 L85 T86 V289 N292 V293 K296E78-L82 WeakPolarHBondContact O-CB 3.35Å; E78-L82 PolarHBondContact O-N 3.36Å; D79-L82 PolarHBondContact O-N 2.89Å; L82-A84 VanDerWaalsContact C-N 3.3Å; L82-A84 PolarHBondContact O-N 3.28Å; L82-L85 CarbonylContact O-C 3.44Å; L82-L85 PolarHBondContact O-N 3.47Å; L82-T86 HydrophobicContact CD1-CG2 3.86Å; L82-T86 WeakPolarHBondContact O-CB 3.04Å; L82-T86 PolarHBondContact O-N 3.29Å; L82-T86 PolarHBondContact O-OG1 3.49Å; L82-V289 HydrophobicContact CB-CG1 4.35Å; L82-V289 HydrophobicContact CD1-CG1 4.38Å; L82-N292 HydrophobicContact CD1-CB 3.92Å; L82-N292 HydrophobicContact CD2-CB 3.87Å; L82-V293 HydrophobicContact CD1-CB 4.48Å; L82-V293 HydrophobicContact CD1-CG2 3.57Å; L82-K296 HydrophobicContact CD2-CD 4.14Å
83A95.8Very high92.9Very high0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-60-41.2179.300000111.6D79 L80 L85 T86 E87 W88 L145D79-A83 WeakPolarHBondContact O-CB 3.3Å; D79-A83 PolarHBondContact O-N 3.4Å; L80-A83 PolarHBondContact O-N 3.02Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.87Å; A83-T86 PolarHBondContact O-N 3.01Å; A83-E87 HydrophobicContact CB-CB 4.38Å; A83-E87 HydrophobicContact CB-CG 4.45Å; A83-E87 PolarHBondContact O-N 2.9Å; A83-W88 HydrophobicContact CB-CZ2 3.95Å; A83-W88 PolarHBondContact O-N 3.14Å; A83-W88 VanDerWaalsContact O-N 3.13Å; A83-L145 HydrophobicContact CB-CD2 3.94Å
84A95.3Very high93.1Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-64.9-28.2174.800000113.7L80 W81 L82 W88 Y190 I322 M324L80-A84 WeakPolarHBondContact O-CB 3.46Å; L80-A84 PolarHBondContact O-N 3.12Å; W81-A84 PolarHBondContact O-N 2.72Å; L82-A84 VanDerWaalsContact C-N 3.3Å; L82-A84 PolarHBondContact O-N 3.28Å; A84-W88 VanDerWaalsContact CA-CE3 3.43Å; A84-W88 HydrophobicContact CB-CE3 3.7Å; A84-W88 HydrophobicContact CB-CH2 4.21Å; A84-W88 HydrophobicContact CB-CZ3 3.54Å; A84-Y190 PolarHBondContact O-OH 2.93Å; A84-I322 HydrophobicContact CB-CD1 4.21Å; A84-I322 HydrophobicContact CB-CG2 4.26Å; A84-M324 HydrophobicContact CB-CE 3.56Å
85L92.3Very high93.3Very high1 Ų132.9 Ų32.91%0.00518%0.175CC..Hα-helixtrans-95.8-3.4179.8-70.3173.8000113.8W81 L82 A83 Y115 Y190 V289 Y316 I317 I322W81-L85 HydrophobicContact CG-CD1 4.4Å; W81-L85 WeakPolarHBondContact O-CB 3.13Å; W81-L85 VanDerWaalsContact O-CG 3.28Å; W81-L85 WeakPolarHBondContact O-CG 3.29Å; W81-L85 PolarHBondContact O-N 3.32Å; W81-L85 VanDerWaalsContact O-N 3.09Å; L82-L85 CarbonylContact O-C 3.44Å; L82-L85 PolarHBondContact O-N 3.47Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.87Å; L85-Y115 PolarHBondContact O-OH 2.97Å; L85-Y190 HydrophobicContact CD2-CE1 4.38Å; L85-V289 HydrophobicContact CD1-CG1 3.85Å; L85-Y316 HydrophobicContact CD2-CD1 4.32Å; L85-Y316 HydrophobicContact CD2-CE1 3.72Å; L85-I317 HydrophobicContact CD1-CD1 3.47Å; L85-I317 VanDerWaalsContact CD1-CD1 3.47Å; L85-I317 HydrophobicContact CD1-CG1 3.58Å; L85-I322 HydrophobicContact CD2-CD1 3.75Å; L85-I322 HydrophobicContact CG-CD1 3.96Å
86T90.6Very high93.4Very high9 Ų927.8 Ų27.86%0.05515%0.149CC..Hα-helixtrans-145.1-45.2-172.860.30000113.9L82 A83 C89 H90 V293 I297L82-T86 HydrophobicContact CD1-CG2 3.86Å; L82-T86 WeakPolarHBondContact O-CB 3.04Å; L82-T86 PolarHBondContact O-N 3.29Å; L82-T86 PolarHBondContact O-OG1 3.49Å; A83-T86 PolarHBondContact O-N 3.01Å; T86-C89 PolarHBondContact O-SG 2.68Å; T86-H90 PolarHBondContact O-ND1 3.36Å; T86-V293 HydrophobicContact CG2-CB 4.41Å; T86-V293 HydrophobicContact CG2-CG1 4.27Å; T86-V293 HydrophobicContact CG2-CG2 3.74Å; T86-I297 HydrophobicContact CG2-CD1 4.24Å; T86-I297 HydrophobicContact CG2-CG1 3.7Å
87E91.7Very high93.5Very high108 Ų10826.9 Ų26.951%0.50515%0.147SC..THydrogen-bonded Turntrans-85.3-46.9-171.4-65.4176.9-154.600111.4A83 C89 H90 S91A83-E87 HydrophobicContact CB-CB 4.38Å; A83-E87 HydrophobicContact CB-CG 4.45Å; A83-E87 PolarHBondContact O-N 2.9Å; E87-C89 VanDerWaalsContact C-N 3.35Å; E87-C89 PolarHBondContact O-N 2.81Å; E87-H90 PolarHBondContact O-N 2.99Å; E87-H90 VanDerWaalsContact O-N 3.1Å; E87-S91 PolarHBondContact O-N 3.2Å
88W93.3Very high93.4Very high4 Ų428.4 Ų28.42%0.01516%0.155CC..THydrogen-bonded Turntrans-72.1-28.8-168.4-59.2-13.7000113.6A83 A84 H90 A94 I121 L123 L146 V188 M324A83-W88 HydrophobicContact CB-CZ2 3.95Å; A83-W88 PolarHBondContact O-N 3.14Å; A83-W88 VanDerWaalsContact O-N 3.13Å; A84-W88 VanDerWaalsContact CA-CE3 3.43Å; A84-W88 HydrophobicContact CB-CE3 3.7Å; A84-W88 HydrophobicContact CB-CH2 4.21Å; A84-W88 HydrophobicContact CB-CZ3 3.54Å; W88-H90 VanDerWaalsContact C-N 3.32Å; W88-A94 VanDerWaalsContact O-CB 3.29Å; W88-A94 WeakPolarHBondContact O-CB 3.14Å; W88-I121 HydrophobicContact CB-CD1 4.38Å; W88-L123 HydrophobicContact CB-CD1 4.46Å; W88-L123 HydrophobicContact CB-CD2 4.1Å; W88-L123 HydrophobicContact CD2-CD1 3.73Å; W88-L123 HydrophobicContact CE3-CD1 3.8Å; W88-L123 HydrophobicContact CG-CD1 4.02Å; W88-L123 HydrophobicContact CG-CD2 4.25Å; W88-L123 HydrophobicContact CZ3-CD1 4.32Å; W88-L146 HydrophobicContact CH2-CD1 4.34Å; W88-L146 HydrophobicContact CH2-CD2 4.21Å; W88-L146 HydrophobicContact CZ2-CB 4.22Å; W88-L146 HydrophobicContact CZ2-CD2 4.43Å; W88-V188 HydrophobicContact CE3-CB 4.46Å; W88-V188 HydrophobicContact CE3-CG1 4.23Å; W88-V188 HydrophobicContact CE3-CG2 3.69Å; W88-V188 HydrophobicContact CZ3-CB 4.47Å; W88-V188 HydrophobicContact CZ3-CG1 4.08Å; W88-V188 HydrophobicContact CZ3-CG2 3.59Å; W88-M324 HydrophobicContact CH2-CE 3.52Å; W88-M324 HydrophobicContact CH2-CG 4.38Å; W88-M324 HydrophobicContact CH2-SD 3.52Å; W88-M324 VanDerWaalsContact CH2-SD 3.52Å; W88-M324 HydrophobicContact CZ3-CE 3.5Å; W88-M324 VanDerWaalsContact CZ3-CE 3.5Å; W88-M324 HydrophobicContact CZ3-CG 4.09Å; W88-M324 HydrophobicContact CZ3-SD 3.78Å
89C88.9Confident92.9Very high1 Ų131 Ų311%0.00719%0.186CC..THydrogen-bonded Turntrans-74.1-22.5173.455.30000113.6T86 E87 V102 W114 Y115 I121T86-C89 PolarHBondContact O-SG 2.68Å; E87-C89 VanDerWaalsContact C-N 3.35Å; E87-C89 PolarHBondContact O-N 2.81Å; C89-V102 HydrophobicContact CB-CG2 4.41Å; C89-V102 WeakPolarHBondContact O-CB 3.22Å; C89-V102 PolarHBondContact O-N 2.84Å; C89-W114 HydrophobicContact CB-CH2 3.46Å; C89-W114 VanDerWaalsContact CB-CH2 3.46Å; C89-W114 HydrophobicContact CB-CZ2 4.43Å; C89-W114 HydrophobicContact CB-CZ3 3.77Å; C89-Y115 PolarHBondContact SG-OH 3.44Å; C89-I121 HydrophobicContact CB-CD1 3.87Å
90H87.9Confident92Very high26 Ų2632.1 Ų32.112%0.1220%0.196CC..THydrogen-bonded Turntrans-93.2-10.9176.8-70.785.4000112.6T86 E87 W88 V102 S106T86-H90 PolarHBondContact O-ND1 3.36Å; E87-H90 PolarHBondContact O-N 2.99Å; E87-H90 VanDerWaalsContact O-N 3.1Å; W88-H90 VanDerWaalsContact C-N 3.32Å; H90-V102 WeakPolarHBondContact CD2-CG1 3.05Å; H90-V102 WeakPolarHBondContact NE2-CG1 3.41Å; H90-S106 PolarHBondContact NE2-O 3.24Å; H90-S106 PolarHBondContact NE2-OG 3.45Å; H90-S106 VanDerWaalsContact NE2-OG 3.1Å
91S90.7Very high90.8Very high21 Ų2134.1 Ų34.115%0.14721%0.207CC..  trans-62.9124.3178173.10000110.3E87 T93 A94 N101E87-S91 PolarHBondContact O-N 3.2Å; S91-T93 PolarHBondContact O-N 3.11Å; S91-T93 PolarHBondContact OG-N 3.14Å; S91-T93 PolarHBondContact OG-OG1 3.01Å; S91-A94 PolarHBondContact O-N 2.62Å; S91-A94 PolarHBondContact OG-N 3.31Å; S91-N101 PolarHBondContact O-ND2 3.07Å
92P90.2Very high89.9Confident102 Ų10234.2 Ų34.266%0.66221%0.207SC*.THydrogen-bonded Turntrans-67.8-20.8179.427.9-34.3000112.3N101P92-N101 PolarHBondContact O-ND2 2.88Å
93T93.5Very high89.1Confident54 Ų5438 Ų3833%0.33123%0.232SC..THydrogen-bonded Turntrans-96.1-7.8179.661.50000113.2S91 H126 E141S91-T93 PolarHBondContact O-N 3.11Å; S91-T93 PolarHBondContact OG-N 3.14Å; S91-T93 PolarHBondContact OG-OG1 3.01Å; T93-H126 PolarHBondContact O-CE1 3.49Å; T93-H126 PolarHBondContact O-NE2 2.98Å; T93-E141 WeakPolarHBondContact OG1-CB 3.33Å; T93-E141 PolarHBondContact OG1-N 3.48Å; T93-E141 VanDerWaalsContact OG1-N 3.09Å
94A94.8Very high88Confident4 Ų442 Ų423%0.03326%0.258CS..  trans-71.7164.9173.300000110.9W88 S91 N101 I121 L123W88-A94 VanDerWaalsContact O-CB 3.29Å; W88-A94 WeakPolarHBondContact O-CB 3.14Å; S91-A94 PolarHBondContact O-N 2.62Å; S91-A94 PolarHBondContact OG-N 3.31Å; A94-N101 PolarHBondContact O-ND2 2.97Å; A94-N101 PolarHBondContact O-OD1 3.44Å; A94-I121 HydrophobicContact CB-CG2 4.01Å; A94-L123 HydrophobicContact CB-CD2 3.94Å
95Q95.2Very high87Confident68 Ų6849.6 Ų49.632%0.31830%0.299SS..EExtended strand (participates in β ladder)trans-129.2144.5165.7-62.5179.17.600109.6W120 I121 T122 H126Q95-W120 HydrophobicContact CB-CZ3 4.46Å; Q95-W120 WeakPolarHBondContact O-CZ3 3.36Å; Q95-I121 CarbonylContact O-C 3.56Å; Q95-I121 VanDerWaalsContact O-CA 3.3Å; Q95-I121 WeakPolarHBondContact O-CA 3.39Å; Q95-T122 PolarHBondContact N-O 3.04Å; Q95-T122 VanDerWaalsContact N-O 3.15Å; Q95-T122 PolarHBondContact O-N 3.45Å; Q95-T122 PolarHBondContact O-OG1 3.31Å; Q95-H126 VanDerWaalsContact CD-CG 3.44Å; Q95-H126 PolarHBondContact NE2-CD2 3.16Å
96C94.9Very high86.3Confident8 Ų851 Ų515%0.05431%0.308CS..EExtended strand (participates in β ladder)trans-135.1168.2177.870.80000112.2L98 G99 L118 W120 I121C96-L98 PolarHBondContact O-N 3.38Å; C96-G99 PolarHBondContact O-N 2.9Å; C96-G99 VanDerWaalsContact O-N 3.12Å; C96-L118 HydrophobicContact CB-CD1 4Å; C96-W120 VanDerWaalsContact CA-O 3.26Å; C96-W120 WeakPolarHBondContact CA-O 3.2Å; C96-W120 VanDerWaalsContact CB-O 3.29Å; C96-W120 WeakPolarHBondContact CB-O 3.45Å; C96-W120 WeakPolarHBondContact O-CH2 3.34Å; C96-I121 HydrophobicContact CB-CG1 3.96Å
97N95Very high85.9Confident48 Ų4857.3 Ų57.326%0.25733%0.331SS..THydrogen-bonded Turntrans-63.5-8-179.572.3-76.8000114.9K117 L118 R119 W120N97-K117 PolarHBondContact ND2-O 3.49Å; N97-L118 WeakPolarHBondContact OD1-CA 3.14Å; N97-R119 HydrophobicContact CB-CB 4.36Å; N97-R119 PolarHBondContact OD1-N 3.38Å; N97-W120 VanDerWaalsContact CA-CZ2 3.43Å; N97-W120 HydrophobicContact CB-CD2 3.87Å; N97-W120 VanDerWaalsContact CB-CE2 3.41Å; N97-W120 HydrophobicContact CB-CG 4.06Å; N97-W120 HydrophobicContact CB-CZ2 3.83Å; N97-W120 PolarHBondContact N-O 3.38Å; N97-W120 PolarHBondContact OD1-N 2.96Å; N97-W120 PolarHBondContact OD1-O 3.13Å
98L92.7Very high85.3Confident51 Ų5153.9 Ų53.927%0.26732%0.316SS..THydrogen-bonded Turntrans-94.6-5.5-179.4-58177.1000112.5C96 T100 W114 K117C96-L98 PolarHBondContact O-N 3.38Å; L98-T100 PolarHBondContact O-N 3.36Å; L98-W114 HydrophobicContact CD1-CD2 3.79Å; L98-W114 HydrophobicContact CD1-CG 3.99Å; L98-W114 HydrophobicContact CD1-CZ2 3.77Å; L98-W114 VanDerWaalsContact CD1-NE1 3.32Å; L98-K117 HydrophobicContact CD1-CB 4.17Å; L98-K117 HydrophobicContact CD2-CB 3.59Å
99G84.3Confident84.8Confident73 Ų7353.8 Ų53.875%0.75332%0.316SS*.SBendtrans70.2-9.1176.700000115C96C96-G99 PolarHBondContact O-N 2.9Å; C96-G99 VanDerWaalsContact O-N 3.12Å
100T76.3Confident84.5Confident92 Ų9254 Ų5456%0.56432%0.317SS*.SBendtrans-130.7122.4175.157.20000109L98L98-T100 PolarHBondContact O-N 3.36Å
101N73Confident84Confident43 Ų4355.1 Ų55.123%0.2333%0.326CS..PPolyproline II helixtrans-70158.1168.9-62.7-21.7000109.9S91 P92 A94S91-N101 PolarHBondContact O-ND2 3.07Å; P92-N101 PolarHBondContact O-ND2 2.88Å; A94-N101 PolarHBondContact O-ND2 2.97Å; A94-N101 PolarHBondContact O-OD1 3.44Å
102V76.4Confident83.8Confident3 Ų356.6 Ų56.62%0.01833%0.332CS..PPolyproline II helixtrans-70.7129.4175178.10000108.5C89 H90 S106 I108 W114C89-V102 HydrophobicContact CB-CG2 4.41Å; C89-V102 WeakPolarHBondContact O-CB 3.22Å; C89-V102 PolarHBondContact O-N 2.84Å; H90-V102 WeakPolarHBondContact CD2-CG1 3.05Å; H90-V102 WeakPolarHBondContact NE2-CG1 3.41Å; V102-S106 WeakPolarHBondContact CG1-OG 3.05Å; V102-I108 HydrophobicContact CG1-CB 3.92Å; V102-I108 HydrophobicContact CG1-CD1 3.8Å; V102-I108 HydrophobicContact CG1-CG1 4.06Å; V102-I108 HydrophobicContact CG2-CD1 4.33Å; V102-I108 HydrophobicContact CG2-CG2 4.46Å; V102-W114 HydrophobicContact CG2-CD2 3.84Å; V102-W114 HydrophobicContact CG2-CE3 4.1Å; V102-W114 HydrophobicContact CG2-CG 4.46Å; V102-W114 HydrophobicContact CG2-CH2 3.98Å; V102-W114 HydrophobicContact CG2-CZ2 3.68Å; V102-W114 HydrophobicContact CG2-CZ3 4.15Å
103P78.8Confident83.7Confident81 Ų8156 Ų5653%0.52633%0.329SS..PPolyproline II helixtrans-55.5140.7-179.7-26.634.5000112.1N105 S106P103-N105 PolarHBondContact O-N 3.3Å; P103-S106 WeakPolarHBondContact O-CB 3.14Å; P103-S106 PolarHBondContact O-N 2.94Å
104P72.3Confident83.6Confident85 Ų8555.2 Ų55.255%0.55232%0.32SS*.THydrogen-bonded Turntrans-54.1135173.2-24.633.5000110.6S106P104-S106 VanDerWaalsContact C-N 3.29Å; P104-S106 PolarHBondContact O-N 3.44Å
105N74Confident83.3Confident160 Ų16055 Ų5586%0.85632%0.318SS*.THydrogen-bonded Turntrans72.35.5-176.4-44-62.4000116.7P103P103-N105 PolarHBondContact O-N 3.3Å
106S78.8Confident83Confident29 Ų2954.4 Ų54.420%0.20332%0.321CS..  trans-62.5151.2166.897.60000110H90 V102 P103 P104 I108H90-S106 PolarHBondContact NE2-O 3.24Å; H90-S106 PolarHBondContact NE2-OG 3.45Å; H90-S106 VanDerWaalsContact NE2-OG 3.1Å; V102-S106 WeakPolarHBondContact CG1-OG 3.05Å; P103-S106 WeakPolarHBondContact O-CB 3.14Å; P103-S106 PolarHBondContact O-N 2.94Å; P104-S106 VanDerWaalsContact C-N 3.29Å; P104-S106 PolarHBondContact O-N 3.44Å; S106-I108 VanDerWaalsContact C-N 3.27Å; S106-I108 PolarHBondContact O-N 3.02Å; S106-I108 WeakPolarHBondContact OG-CG1 3.37Å; S106-I108 PolarHBondContact OG-N 3.32Å
107R81.2Confident82.9Confident142 Ų14260.1 Ų60.154%0.53635%0.345SS..  trans-94.831172.5-59.1-167.4-172.9-171.95.1112.1A109 I297 L298R107-A109 PolarHBondContact O-N 3.23Å; R107-I297 WeakPolarHBondContact CG-O 3.38Å; R107-L298 HydrophobicContact CB-CD2 4.33Å; R107-L298 PolarHBondContact NH1-O 2.9Å; R107-L298 WeakPolarHBondContact O-CD2 3.01Å
108I79.6Confident82.8Confident37 Ų3757.8 Ų57.819%0.1933%0.333CS..  trans-71.5118.2179.4-61.8-172.9000108.6V102 S106 D112 W114 Y115V102-I108 HydrophobicContact CG1-CB 3.92Å; V102-I108 HydrophobicContact CG1-CD1 3.8Å; V102-I108 HydrophobicContact CG1-CG1 4.06Å; V102-I108 HydrophobicContact CG2-CD1 4.33Å; V102-I108 HydrophobicContact CG2-CG2 4.46Å; S106-I108 VanDerWaalsContact C-N 3.27Å; S106-I108 PolarHBondContact O-N 3.02Å; S106-I108 WeakPolarHBondContact OG-CG1 3.37Å; S106-I108 PolarHBondContact OG-N 3.32Å; I108-D112 VanDerWaalsContact CA-OD2 3.26Å; I108-D112 WeakPolarHBondContact CA-OD2 3.31Å; I108-D112 HydrophobicContact CG2-CB 3.59Å; I108-W114 HydrophobicContact CG2-CB 4.03Å; I108-W114 HydrophobicContact CG2-CE3 4.48Å; I108-W114 HydrophobicContact CG2-CG 4.45Å; I108-Y115 HydrophobicContact CG2-CD2 4.07Å; I108-Y115 HydrophobicContact CG2-CE2 3.82Å
109A81.9Confident82.9Confident1 Ų159.8 Ų59.81%0.00834%0.337CS..  trans-124179.4-178.800000110.9R107 T111 D112 Y115 V293 I297 L298R107-A109 PolarHBondContact O-N 3.23Å; A109-T111 PolarHBondContact O-N 3.12Å; A109-D112 PolarHBondContact N-OD2 3.18Å; A109-D112 WeakPolarHBondContact O-CB 3.27Å; A109-D112 PolarHBondContact O-N 3.28Å; A109-Y115 WeakPolarHBondContact O-CD2 3.08Å; A109-Y115 WeakPolarHBondContact O-CE2 3.26Å; A109-V293 HydrophobicContact CB-CG1 3.91Å; A109-I297 HydrophobicContact CB-CG2 4.39Å; A109-L298 HydrophobicContact CB-CD1 4.1Å; A109-L298 HydrophobicContact CB-CD2 3.73Å; A109-L298 HydrophobicContact CB-CG 3.98Å
110C82.4Confident83.5Confident6 Ų658.8 Ų58.84%0.04131%0.31CS..THydrogen-bonded Turntrans-55-16.3-176.7-660000114.8C313 Y316C110-C313 HydrophobicContact CB-CB 4.19Å; C110-C313 VanDerWaalsContact CB-SG 3.55Å; C110-Y316 HydrophobicContact CB-CD1 3.64Å; C110-Y316 HydrophobicContact CB-CE1 4.4Å; C110-Y316 HydrophobicContact CB-CG 3.81Å
111T77.3Confident84.5Confident50 Ų5054.4 Ų54.431%0.30728%0.283SS..THydrogen-bonded Turntrans-81.6-19178.162.70000112.8A109 E312A109-T111 PolarHBondContact O-N 3.12Å; T111-E312 HydrophobicContact CG2-CB 3.36Å; T111-E312 HydrophobicContact CG2-CG 4.4Å; T111-E312 VanDerWaalsContact CG2-OE2 3.32Å; T111-E312 WeakPolarHBondContact CG2-OE2 3.28Å
112D87.2Confident85.7Confident51 Ų5152.4 Ų52.427%0.27327%0.273SS..SBendtrans-74144.7-177.2-77.5-89.5000113I108 A109 W114 Y115I108-D112 VanDerWaalsContact CA-OD2 3.26Å; I108-D112 WeakPolarHBondContact CA-OD2 3.31Å; I108-D112 HydrophobicContact CG2-CB 3.59Å; A109-D112 PolarHBondContact N-OD2 3.18Å; A109-D112 WeakPolarHBondContact O-CB 3.27Å; A109-D112 PolarHBondContact O-N 3.28Å; D112-W114 PolarHBondContact O-N 2.86Å; D112-Y115 PolarHBondContact O-N 3.3Å
113P88.6Confident86.7Confident90 Ų9052.3 Ų52.358%0.58427%0.272SS*.THydrogen-bonded Turntrans-55.1-21.7173.7-26.834.8000114.2S116P113-S116 WeakPolarHBondContact O-CB 3.23Å; P113-S116 PolarHBondContact O-N 3.31Å; P113-S116 PolarHBondContact O-OG 2.82Å
114W90.4Very high87.6Confident38 Ų3848.6 Ų48.614%0.14425%0.248CC..THydrogen-bonded Turntrans-61.7-46.9175.2-173.796.9000112C89 L98 V102 I108 D112 S116 K117 L118C89-W114 HydrophobicContact CB-CH2 3.46Å; C89-W114 VanDerWaalsContact CB-CH2 3.46Å; C89-W114 HydrophobicContact CB-CZ2 4.43Å; C89-W114 HydrophobicContact CB-CZ3 3.77Å; L98-W114 HydrophobicContact CD1-CD2 3.79Å; L98-W114 HydrophobicContact CD1-CG 3.99Å; L98-W114 HydrophobicContact CD1-CZ2 3.77Å; L98-W114 VanDerWaalsContact CD1-NE1 3.32Å; V102-W114 HydrophobicContact CG2-CD2 3.84Å; V102-W114 HydrophobicContact CG2-CE3 4.1Å; V102-W114 HydrophobicContact CG2-CG 4.46Å; V102-W114 HydrophobicContact CG2-CH2 3.98Å; V102-W114 HydrophobicContact CG2-CZ2 3.68Å; V102-W114 HydrophobicContact CG2-CZ3 4.15Å; I108-W114 HydrophobicContact CG2-CB 4.03Å; I108-W114 HydrophobicContact CG2-CE3 4.48Å; I108-W114 HydrophobicContact CG2-CG 4.45Å; D112-W114 PolarHBondContact O-N 2.86Å; W114-S116 PolarHBondContact O-N 3.16Å; W114-K117 WeakPolarHBondContact O-CA 3.41Å; W114-K117 PolarHBondContact O-N 3.47Å; W114-L118 HydrophobicContact CH2-CB 4.45Å; W114-L118 HydrophobicContact CH2-CD1 3.52Å; W114-L118 HydrophobicContact CH2-CD2 3.92Å; W114-L118 HydrophobicContact CH2-CG 4.17Å; W114-L118 HydrophobicContact CZ2-CD1 4.11Å; W114-L118 HydrophobicContact CZ3-CB 4.18Å; W114-L118 HydrophobicContact CZ3-CD1 4.06Å; W114-L118 HydrophobicContact CZ3-CD2 3.72Å; W114-L118 HydrophobicContact CZ3-CG 4.2Å; W114-L118 PolarHBondContact O-N 3.44Å; W114-L118 VanDerWaalsContact O-N 3.15Å
115Y89.7Confident88.8Confident0 Ų046 Ų460%023%0.228CC..THydrogen-bonded Turntrans-63.9-29.7176.6-82.3-88.8000111.9L85 C89 I108 A109 D112 K117 L118 R192 Y316L85-Y115 PolarHBondContact O-OH 2.97Å; C89-Y115 PolarHBondContact SG-OH 3.44Å; I108-Y115 HydrophobicContact CG2-CD2 4.07Å; I108-Y115 HydrophobicContact CG2-CE2 3.82Å; A109-Y115 WeakPolarHBondContact O-CD2 3.08Å; A109-Y115 WeakPolarHBondContact O-CE2 3.26Å; D112-Y115 PolarHBondContact O-N 3.3Å; Y115-K117 PolarHBondContact O-N 2.88Å; Y115-K117 VanDerWaalsContact O-N 3.13Å; Y115-L118 HydrophobicContact CD1-CD2 4.34Å; Y115-L118 HydrophobicContact CE1-CD2 4.44Å; Y115-L118 PolarHBondContact O-N 2.92Å; Y115-R192 PolarHBondContact O-NH1 3.14Å; Y115-Y316 HydrophobicContact CD1-CE1 4.12Å; Y115-Y316 AromaticContact CD1-CZ 3.9Å; Y115-Y316 PolarHBondContact O-OH 2.84Å
116S88.8Confident89.9Confident55 Ų5538.6 Ų38.639%0.38519%0.188SC..THydrogen-bonded Turntrans-64.1-10.9171.2930000113P113 W114 R119 R192P113-S116 WeakPolarHBondContact O-CB 3.23Å; P113-S116 PolarHBondContact O-N 3.31Å; P113-S116 PolarHBondContact O-OG 2.82Å; W114-S116 PolarHBondContact O-N 3.16Å; S116-R119 PolarHBondContact O-NH1 3.12Å; S116-R192 PolarHBondContact O-NH1 3.01Å; S116-R192 PolarHBondContact O-NH2 2.87Å
117K92Very high90.7Very high127 Ų12738.4 Ų38.455%0.55218%0.183SC*.THydrogen-bonded Turntrans-116.5-13.1178-58.7178.3-174174.50113.3N97 L98 W114 Y115 R119N97-K117 PolarHBondContact ND2-O 3.49Å; L98-K117 HydrophobicContact CD1-CB 4.17Å; L98-K117 HydrophobicContact CD2-CB 3.59Å; W114-K117 WeakPolarHBondContact O-CA 3.41Å; W114-K117 PolarHBondContact O-N 3.47Å; Y115-K117 PolarHBondContact O-N 2.88Å; Y115-K117 VanDerWaalsContact O-N 3.13Å; K117-R119 PolarHBondContact O-NH1 2.9Å
118L93.4Very high91.4Very high0 Ų033.4 Ų33.40%017%0.166CC..  trans-61136.4174.9-16964.6000111.5C96 N97 W114 Y115 I121 Y190C96-L118 HydrophobicContact CB-CD1 4Å; N97-L118 WeakPolarHBondContact OD1-CA 3.14Å; W114-L118 HydrophobicContact CH2-CB 4.45Å; W114-L118 HydrophobicContact CH2-CD1 3.52Å; W114-L118 HydrophobicContact CH2-CD2 3.92Å; W114-L118 HydrophobicContact CH2-CG 4.17Å; W114-L118 HydrophobicContact CZ2-CD1 4.11Å; W114-L118 HydrophobicContact CZ3-CB 4.18Å; W114-L118 HydrophobicContact CZ3-CD1 4.06Å; W114-L118 HydrophobicContact CZ3-CD2 3.72Å; W114-L118 HydrophobicContact CZ3-CG 4.2Å; W114-L118 PolarHBondContact O-N 3.44Å; W114-L118 VanDerWaalsContact O-N 3.15Å; Y115-L118 HydrophobicContact CD1-CD2 4.34Å; Y115-L118 HydrophobicContact CE1-CD2 4.44Å; Y115-L118 PolarHBondContact O-N 2.92Å; L118-I121 HydrophobicContact CD1-CD1 4.31Å; L118-I121 HydrophobicContact CD1-CG1 3.89Å; L118-I121 HydrophobicContact CD2-CD1 4.15Å; L118-I121 HydrophobicContact CD2-CG1 4.41Å; L118-Y190 HydrophobicContact CD2-CD1 3.94Å; L118-Y190 HydrophobicContact CD2-CD2 3.78Å; L118-Y190 HydrophobicContact CD2-CE1 3.71Å; L118-Y190 HydrophobicContact CD2-CE2 3.56Å; L118-Y190 HydrophobicContact CD2-CG 3.97Å; L118-Y190 HydrophobicContact CG-CD2 3.83Å; L118-Y190 HydrophobicContact CG-CE2 4Å; L118-Y190 HydrophobicContact CG-CG 4.17Å
119R95Very high92Very high93 Ų9337 Ų3735%0.35118%0.177SC..  trans-133.2-40.4178.4-65.7-62.9179.7-78.6-6.1111.7N97 S116 K117 N189 Y190 R192N97-R119 HydrophobicContact CB-CB 4.36Å; N97-R119 PolarHBondContact OD1-N 3.38Å; S116-R119 PolarHBondContact O-NH1 3.12Å; K117-R119 PolarHBondContact O-NH1 2.9Å; R119-N189 WeakPolarHBondContact O-CA 3.29Å; R119-Y190 PolarHBondContact O-N 3.22Å; R119-R192 VanDerWaalsContact NH1-CZ 3.33Å
120W96.6Very high92.5Very high52 Ų5242.3 Ų42.320%0.19721%0.214CC..EExtended strand (participates in β ladder)trans-147.9152.7175.457.5-106.4000112.2Q95 C96 N97 T122 W129 I187 V188Q95-W120 HydrophobicContact CB-CZ3 4.46Å; Q95-W120 WeakPolarHBondContact O-CZ3 3.36Å; C96-W120 VanDerWaalsContact CA-O 3.26Å; C96-W120 WeakPolarHBondContact CA-O 3.2Å; C96-W120 VanDerWaalsContact CB-O 3.29Å; C96-W120 WeakPolarHBondContact CB-O 3.45Å; C96-W120 WeakPolarHBondContact O-CH2 3.34Å; N97-W120 VanDerWaalsContact CA-CZ2 3.43Å; N97-W120 HydrophobicContact CB-CD2 3.87Å; N97-W120 VanDerWaalsContact CB-CE2 3.41Å; N97-W120 HydrophobicContact CB-CG 4.06Å; N97-W120 HydrophobicContact CB-CZ2 3.83Å; N97-W120 PolarHBondContact N-O 3.38Å; N97-W120 PolarHBondContact OD1-N 2.96Å; N97-W120 PolarHBondContact OD1-O 3.13Å; W120-T122 HydrophobicContact CE3-CG2 3.88Å; W120-T122 HydrophobicContact CZ3-CG2 3.95Å; W120-W129 AromaticContact CD1-CZ2 3.86Å; W120-W129 AromaticContact CD2-CZ2 3.88Å; W120-W129 HydrophobicContact CD2-CZ2 3.88Å; W120-W129 AromaticContact CD2-NE1 4Å; W120-W129 AromaticContact CE2-CE2 3.75Å; W120-W129 AromaticContact CE2-CZ2 3.84Å; W120-W129 AromaticContact CE2-NE1 3.39Å; W120-W129 HydrophobicContact CE3-CZ2 4.47Å; W120-W129 AromaticContact CG-CZ2 3.94Å; W120-W129 HydrophobicContact CG-CZ2 3.94Å; W120-W129 AromaticContact CH2-NE1 3.44Å; W120-W129 AromaticContact CZ2-CD1 3.76Å; W120-W129 AromaticContact CZ2-CE2 3.94Å; W120-W129 HydrophobicContact CZ2-CZ2 4.45Å; W120-W129 AromaticContact CZ2-NE1 3.11Å; W120-W129 AromaticContact CZ3-NE1 3.96Å; W120-W129 AromaticContact NE1-CE2 3.87Å; W120-W129 AromaticContact NE1-CZ2 3.77Å; W120-W129 AromaticContact NE1-NE1 3.93Å; W120-I187 HydrophobicContact CB-CG2 4.46Å; W120-V188 CarbonylContact C-O 3.49Å; W120-V188 WeakPolarHBondContact CA-O 3.47Å
121I96.8Very high93Very high0 Ų047.9 Ų47.90%024%0.239CC..EExtended strand (participates in β ladder)trans-125.9141.1165-60.1-178.8000107.7W88 C89 A94 Q95 C96 L118 L123 V188 Y190W88-I121 HydrophobicContact CB-CD1 4.38Å; C89-I121 HydrophobicContact CB-CD1 3.87Å; A94-I121 HydrophobicContact CB-CG2 4.01Å; Q95-I121 CarbonylContact O-C 3.56Å; Q95-I121 VanDerWaalsContact O-CA 3.3Å; Q95-I121 WeakPolarHBondContact O-CA 3.39Å; C96-I121 HydrophobicContact CB-CG1 3.96Å; L118-I121 HydrophobicContact CD1-CD1 4.31Å; L118-I121 HydrophobicContact CD1-CG1 3.89Å; L118-I121 HydrophobicContact CD2-CD1 4.15Å; L118-I121 HydrophobicContact CD2-CG1 4.41Å; I121-L123 HydrophobicContact CG2-CD2 4.08Å; I121-L123 HydrophobicContact CG2-CG 4.26Å; I121-V188 HydrophobicContact CB-CB 4.35Å; I121-V188 PolarHBondContact N-O 3.35Å; I121-V188 PolarHBondContact O-N 3.44Å; I121-Y190 HydrophobicContact CD1-CE2 4.13Å; I121-Y190 WeakPolarHBondContact CD1-OH 3.21Å; I121-Y190 HydrophobicContact CG1-CE2 3.96Å
122T97.6Very high93.8Very high1 Ų151.5 Ų51.51%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-112.9139.3169.861.40000110.3Q95 W120 H126 S186 I187Q95-T122 PolarHBondContact N-O 3.04Å; Q95-T122 VanDerWaalsContact N-O 3.15Å; Q95-T122 PolarHBondContact O-N 3.45Å; Q95-T122 PolarHBondContact O-OG1 3.31Å; W120-T122 HydrophobicContact CE3-CG2 3.88Å; W120-T122 HydrophobicContact CZ3-CG2 3.95Å; T122-H126 PolarHBondContact O-CE1 2.87Å; T122-H126 PolarHBondContact O-ND1 3.49Å; T122-H126 PolarHBondContact OG1-ND1 3.09Å; T122-S186 VanDerWaalsContact CA-O 3.26Å; T122-S186 WeakPolarHBondContact CA-O 3.48Å; T122-I187 HydrophobicContact CG2-CG1 4.24Å
123L97.9Very high94.2Very high1 Ų152.2 Ų52.21%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-129.8148.8-175.6-59.2165.4000109.3W88 A94 I121 P143 L146 A185 S186 V188W88-L123 HydrophobicContact CB-CD1 4.46Å; W88-L123 HydrophobicContact CB-CD2 4.1Å; W88-L123 HydrophobicContact CD2-CD1 3.73Å; W88-L123 HydrophobicContact CE3-CD1 3.8Å; W88-L123 HydrophobicContact CG-CD1 4.02Å; W88-L123 HydrophobicContact CG-CD2 4.25Å; W88-L123 HydrophobicContact CZ3-CD1 4.32Å; A94-L123 HydrophobicContact CB-CD2 3.94Å; I121-L123 HydrophobicContact CG2-CD2 4.08Å; I121-L123 HydrophobicContact CG2-CG 4.26Å; L123-P143 HydrophobicContact CD1-CG 3.89Å; L123-P143 HydrophobicContact CD2-CG 4.07Å; L123-P143 HydrophobicContact CG-CG 4.39Å; L123-L146 HydrophobicContact CD1-CD2 4.23Å; L123-A185 WeakPolarHBondContact O-CA 3.34Å; L123-S186 PolarHBondContact N-O 3.23Å; L123-S186 PolarHBondContact O-N 2.86Å; L123-V188 HydrophobicContact CD1-CG2 3.89Å
124G98Very high94.5Very high2 Ų248.9 Ų48.92%0.02123%0.229CC..EExtended strand (participates in β ladder)trans66.6-131.6-172.400000112H126 G140 E141 E184G124-H126 PolarHBondContact O-N 2.99Å; G124-G140 WeakPolarHBondContact CA-O 3.38Å; G124-G140 PolarHBondContact O-N 3.44Å; G124-E141 PolarHBondContact N-O 2.74Å; G124-E141 VanDerWaalsContact N-O 3.16Å; G124-E184 CarbonylContact C-O 3.56Å; G124-E184 VanDerWaalsContact CA-O 3.29Å; G124-E184 WeakPolarHBondContact CA-O 3.42Å
125Y97.9Very high94.6Very high32 Ų3250.7 Ų50.713%0.12524%0.242CC..BIsolated β-bridgetrans-63.3129.9171.4-68.5-105000110.4Y134 E136 V139 E184 A185 V329 M330Y125-Y134 VanDerWaalsContact O-CE1 3.3Å; Y125-Y134 WeakPolarHBondContact O-CE1 3.44Å; Y125-E136 HydrophobicContact CE1-CG 4.31Å; Y125-V139 HydrophobicContact CD1-CG2 3.35Å; Y125-V139 HydrophobicContact CD2-CG1 4.35Å; Y125-V139 HydrophobicContact CD2-CG2 4.39Å; Y125-V139 HydrophobicContact CE1-CG2 3.48Å; Y125-V139 VanDerWaalsContact CE1-CG2 3.48Å; Y125-V139 HydrophobicContact CG-CG1 4.43Å; Y125-V139 HydrophobicContact CG-CG2 3.84Å; Y125-E184 HydrophobicContact CD2-CB 3.88Å; Y125-E184 WeakPolarHBondContact CD2-O 3.34Å; Y125-E184 HydrophobicContact CE2-CB 4.01Å; Y125-E184 HydrophobicContact CE2-CG 4.31Å; Y125-E184 PolarHBondContact N-O 3.02Å; Y125-A185 WeakPolarHBondContact O-CB 3.47Å; Y125-V329 HydrophobicContact CD1-CG1 4.34Å; Y125-V329 HydrophobicContact CD2-CB 4.26Å; Y125-V329 HydrophobicContact CD2-CG2 4.2Å; Y125-V329 HydrophobicContact CG-CB 4.34Å; Y125-V329 HydrophobicContact CG-CG1 4.34Å; Y125-V329 HydrophobicContact CG-CG2 4.21Å; Y125-M330 HydrophobicContact CE1-CG 4.48Å
126H96.9Very high94.6Very high4 Ų455.6 Ų55.62%0.01927%0.265CS..PPolyproline II helixtrans-90.3123.1-178.6-58.6-62.9000111.1T93 Q95 T122 G124 Q128 K138 G140T93-H126 PolarHBondContact O-CE1 3.49Å; T93-H126 PolarHBondContact O-NE2 2.98Å; Q95-H126 VanDerWaalsContact CD-CG 3.44Å; Q95-H126 PolarHBondContact NE2-CD2 3.16Å; T122-H126 PolarHBondContact O-CE1 2.87Å; T122-H126 PolarHBondContact O-ND1 3.49Å; T122-H126 PolarHBondContact OG1-ND1 3.09Å; G124-H126 PolarHBondContact O-N 2.99Å; H126-Q128 PolarHBondContact O-N 2.96Å; H126-Q128 PolarHBondContact O-NE2 2.97Å; H126-K138 HydrophobicContact CB-CB 4.42Å; H126-K138 PolarHBondContact CD2-O 2.87Å; H126-K138 VanDerWaalsContact CD2-O 3.3Å; H126-K138 PolarHBondContact N-O 2.79Å; H126-G140 PolarHBondContact NE2-N 3.25Å
127Y96.3Very high94.8Very high24 Ų2457.1 Ų57.19%0.09428%0.275CS..PPolyproline II helixtrans-64.9124.2174-176.5-117.5000110.6W129 R132 Y134 I187 A204Y127-W129 AromaticContact CD1-CD2 3.65Å; Y127-W129 HydrophobicContact CD1-CD2 3.65Å; Y127-W129 AromaticContact CD1-CE2 3.91Å; Y127-W129 AromaticContact CD1-CE3 3.7Å; Y127-W129 HydrophobicContact CD1-CE3 3.7Å; Y127-W129 HydrophobicContact CD1-CG 4.14Å; Y127-W129 HydrophobicContact CD1-CH2 4.22Å; Y127-W129 HydrophobicContact CD1-CZ2 4.2Å; Y127-W129 AromaticContact CD1-CZ3 3.98Å; Y127-W129 HydrophobicContact CD1-CZ3 3.98Å; Y127-W129 AromaticContact CE1-CD2 3.83Å; Y127-W129 HydrophobicContact CE1-CD2 3.83Å; Y127-W129 AromaticContact CE1-CE3 3.46Å; Y127-W129 HydrophobicContact CE1-CE3 3.46Å; Y127-W129 VanDerWaalsContact CE1-CE3 3.46Å; Y127-W129 HydrophobicContact CE1-CG 4.35Å; Y127-W129 HydrophobicContact CE1-CH2 4.49Å; Y127-W129 AromaticContact CE1-CZ3 3.82Å; Y127-W129 HydrophobicContact CE1-CZ3 3.82Å; Y127-W129 PolarHBondContact O-N 2.95Å; Y127-R132 HydrophobicContact CE2-CB 4.48Å; Y127-R132 WeakPolarHBondContact OH-CA 3.4Å; Y127-R132 WeakPolarHBondContact OH-CB 2.97Å; Y127-R132 WeakPolarHBondContact OH-CG 3.08Å; Y127-Y134 HydrophobicContact CD2-CD2 4.49Å; Y127-Y134 HydrophobicContact CD2-CE1 4.4Å; Y127-Y134 AromaticContact CD2-CE2 3.98Å; Y127-Y134 HydrophobicContact CD2-CE2 3.98Å; Y127-Y134 AromaticContact CD2-CZ 3.91Å; Y127-Y134 VanDerWaalsContact N-CE1 3.34Å; Y127-I187 HydrophobicContact CD1-CD1 4.28Å; Y127-I187 HydrophobicContact CG-CD1 4.23Å; Y127-A204 HydrophobicContact CD2-CB 3.92Å; Y127-A204 HydrophobicContact CE2-CB 3.35Å
128Q95Very high94.9Very high38 Ų3855.4 Ų55.418%0.17827%0.268CS..BIsolated β-bridgetrans-91.5101.4177.4-56.5-55.6-6900109.1H126 S130 E131 R132 V133H126-Q128 PolarHBondContact O-N 2.96Å; H126-Q128 PolarHBondContact O-NE2 2.97Å; Q128-S130 VanDerWaalsContact C-N 3.34Å; Q128-S130 PolarHBondContact O-N 3.41Å; Q128-E131 HydrophobicContact CB-CB 4.34Å; Q128-E131 WeakPolarHBondContact CB-OE2 3.41Å; Q128-E131 PolarHBondContact O-N 3.38Å; Q128-R132 WeakPolarHBondContact O-CA 2.73Å; Q128-R132 PolarHBondContact O-N 3.1Å; Q128-V133 WeakPolarHBondContact CB-O 3.49Å; Q128-V133 PolarHBondContact N-O 3.08Å
129W92.9Very high95.1Very high112 Ų11258.8 Ų58.842%0.42429%0.288SS..THydrogen-bonded Turntrans-60.2-36.9-169.9-64.595.3000114.6W120 Y127 I187W120-W129 AromaticContact CD1-CZ2 3.86Å; W120-W129 AromaticContact CD2-CZ2 3.88Å; W120-W129 HydrophobicContact CD2-CZ2 3.88Å; W120-W129 AromaticContact CD2-NE1 4Å; W120-W129 AromaticContact CE2-CE2 3.75Å; W120-W129 AromaticContact CE2-CZ2 3.84Å; W120-W129 AromaticContact CE2-NE1 3.39Å; W120-W129 HydrophobicContact CE3-CZ2 4.47Å; W120-W129 AromaticContact CG-CZ2 3.94Å; W120-W129 HydrophobicContact CG-CZ2 3.94Å; W120-W129 AromaticContact CH2-NE1 3.44Å; W120-W129 AromaticContact CZ2-CD1 3.76Å; W120-W129 AromaticContact CZ2-CE2 3.94Å; W120-W129 HydrophobicContact CZ2-CZ2 4.45Å; W120-W129 AromaticContact CZ2-NE1 3.11Å; W120-W129 AromaticContact CZ3-NE1 3.96Å; W120-W129 AromaticContact NE1-CE2 3.87Å; W120-W129 AromaticContact NE1-CZ2 3.77Å; W120-W129 AromaticContact NE1-NE1 3.93Å; Y127-W129 AromaticContact CD1-CD2 3.65Å; Y127-W129 HydrophobicContact CD1-CD2 3.65Å; Y127-W129 AromaticContact CD1-CE2 3.91Å; Y127-W129 AromaticContact CD1-CE3 3.7Å; Y127-W129 HydrophobicContact CD1-CE3 3.7Å; Y127-W129 HydrophobicContact CD1-CG 4.14Å; Y127-W129 HydrophobicContact CD1-CH2 4.22Å; Y127-W129 HydrophobicContact CD1-CZ2 4.2Å; Y127-W129 AromaticContact CD1-CZ3 3.98Å; Y127-W129 HydrophobicContact CD1-CZ3 3.98Å; Y127-W129 AromaticContact CE1-CD2 3.83Å; Y127-W129 HydrophobicContact CE1-CD2 3.83Å; Y127-W129 AromaticContact CE1-CE3 3.46Å; Y127-W129 HydrophobicContact CE1-CE3 3.46Å; Y127-W129 VanDerWaalsContact CE1-CE3 3.46Å; Y127-W129 HydrophobicContact CE1-CG 4.35Å; Y127-W129 HydrophobicContact CE1-CH2 4.49Å; Y127-W129 AromaticContact CE1-CZ3 3.82Å; Y127-W129 HydrophobicContact CE1-CZ3 3.82Å; Y127-W129 PolarHBondContact O-N 2.95Å; W129-I187 HydrophobicContact CH2-CD1 4.48Å
130S92.5Very high95.1Very high113 Ų11355 Ų5579%0.7928%0.279SS*.THydrogen-bonded Turntrans-72.9-42.1-177.7-54.50000111.2Q128Q128-S130 VanDerWaalsContact C-N 3.34Å; Q128-S130 PolarHBondContact O-N 3.41Å
131E93.1Very high95Very high123 Ų12358.7 Ų58.758%0.57530%0.298SS*.THydrogen-bonded Turntrans-86.9-18.2-176.4-60.981.917800112.6Q128 V133Q128-E131 HydrophobicContact CB-CB 4.34Å; Q128-E131 WeakPolarHBondContact CB-OE2 3.41Å; Q128-E131 PolarHBondContact O-N 3.38Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 HydrophobicContact CB-CG2 3.75Å; E131-V133 PolarHBondContact O-N 3.24Å
132R94.2Very high95.1Very high126 Ų12660.3 Ų60.348%0.47531%0.305SS..THydrogen-bonded Turntrans55.142.7-174-58.7178.953.3116.12113.7Y127 Q128 D203 A204Y127-R132 HydrophobicContact CE2-CB 4.48Å; Y127-R132 WeakPolarHBondContact OH-CA 3.4Å; Y127-R132 WeakPolarHBondContact OH-CB 2.97Å; Y127-R132 WeakPolarHBondContact OH-CG 3.08Å; Q128-R132 WeakPolarHBondContact O-CA 2.73Å; Q128-R132 PolarHBondContact O-N 3.1Å; R132-D203 IonicContact NH2-OD1 2.72Å; R132-D203 PolarHBondContact NH2-OD1 3.01Å; R132-A204 WeakPolarHBondContact O-CB 3.3Å
133V95.4Very high95.1Very high65 Ų6561.2 Ų61.239%0.39431%0.311SS..BIsolated β-bridgetrans-136.7162.3-179.7-610000112.1Q128 E131Q128-V133 WeakPolarHBondContact CB-O 3.49Å; Q128-V133 PolarHBondContact N-O 3.08Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 HydrophobicContact CB-CG2 3.75Å; E131-V133 PolarHBondContact O-N 3.24Å
134Y95.1Very high95.1Very high21 Ų2166 Ų668%0.08234%0.344CS..  trans-96145.5158.8-69.9-77.7000110.6Y125 Y127 A185 A204 E205 R327 V329Y125-Y134 VanDerWaalsContact O-CE1 3.3Å; Y125-Y134 WeakPolarHBondContact O-CE1 3.44Å; Y127-Y134 HydrophobicContact CD2-CD2 4.49Å; Y127-Y134 HydrophobicContact CD2-CE1 4.4Å; Y127-Y134 AromaticContact CD2-CE2 3.98Å; Y127-Y134 HydrophobicContact CD2-CE2 3.98Å; Y127-Y134 AromaticContact CD2-CZ 3.91Å; Y127-Y134 VanDerWaalsContact N-CE1 3.34Å; Y134-A185 HydrophobicContact CD1-CB 4.5Å; Y134-A185 HydrophobicContact CE1-CB 3.8Å; Y134-A204 HydrophobicContact CD2-CB 4.16Å; Y134-A204 HydrophobicContact CE2-CB 4.03Å; Y134-E205 HydrophobicContact CD2-CG 4.33Å; Y134-E205 HydrophobicContact CE2-CG 4.07Å; Y134-R327 WeakPolarHBondContact OH-CD 3.41Å; Y134-R327 PolarHBondContact OH-NE 3.28Å; Y134-R327 PolarHBondContact OH-NH1 2.88Å; Y134-V329 HydrophobicContact CD1-CG1 4.43Å; Y134-V329 HydrophobicContact CD1-CG2 4.16Å; Y134-V329 HydrophobicContact CD2-CG1 3.94Å; Y134-V329 HydrophobicContact CD2-CG2 4.1Å; Y134-V329 HydrophobicContact CE1-CG2 4.38Å; Y134-V329 HydrophobicContact CE2-CG2 4.36Å; Y134-V329 HydrophobicContact CG-CG1 3.66Å; Y134-V329 HydrophobicContact CG-CG2 4Å
135N90.6Very high95.1Very high75 Ų7568.6 Ų68.640%0.40136%0.357SS..  trans-132.9133.4-179.1-175.8-36.1000109.9S137 K138N135-S137 PolarHBondContact ND2-OG 2.99Å; N135-S137 PolarHBondContact O-N 3.47Å; N135-S137 VanDerWaalsContact O-N 3.11Å; N135-S137 WeakPolarHBondContact OD1-CB 3.36Å; N135-S137 PolarHBondContact OD1-N 3.4Å; N135-S137 PolarHBondContact OD1-OG 2.76Å; N135-K138 HydrophobicContact CB-CB 4.46Å; N135-K138 HydrophobicContact CB-CG 4.32Å; N135-K138 PolarHBondContact O-N 2.94Å
136E91.1Very high95.1Very high104 Ų10467 Ų6749%0.48635%0.351SS..THydrogen-bonded Turntrans-59.6-20.3178.7-61.6-168.3-163.400114Y125 V139 M330 R334Y125-E136 HydrophobicContact CE1-CG 4.31Å; E136-V139 WeakPolarHBondContact O-CG2 3.4Å; E136-M330 VanDerWaalsContact OE1-CE 3.26Å; E136-M330 WeakPolarHBondContact OE1-CE 3.03Å; E136-R334 VanDerWaalsContact CD-NH1 3.32Å; E136-R334 IonicContact OE1-CZ 3.1Å; E136-R334 VanDerWaalsContact OE1-CZ 3.25Å; E136-R334 IonicContact OE1-NH1 3.6Å; E136-R334 PolarHBondContact OE1-NH1 2.94Å; E136-R334 IonicContact OE1-NH2 2.67Å; E136-R334 PolarHBondContact OE1-NH2 2.8Å; E136-R334 IonicContact OE2-CZ 3.98Å; E136-R334 IonicContact OE2-NH1 3.94Å; E136-R334 PolarHBondContact OE2-NH1 3.03Å; E136-R334 IonicContact OE2-NH2 3.31Å; E136-R334 PolarHBondContact OE2-NH2 3.16Å
137S93.5Very high95.2Very high86 Ų8671.7 Ų71.760%0.60137%0.369SS*.THydrogen-bonded Turntrans-81.9-10.1174.267.70000114.3N135N135-S137 PolarHBondContact ND2-OG 2.99Å; N135-S137 PolarHBondContact O-N 3.47Å; N135-S137 VanDerWaalsContact O-N 3.11Å; N135-S137 WeakPolarHBondContact OD1-CB 3.36Å; N135-S137 PolarHBondContact OD1-N 3.4Å; N135-S137 PolarHBondContact OD1-OG 2.76Å
138K94.1Very high95.3Very high92 Ų9272.4 Ų72.440%0.438%0.384SS..SBendtrans-118.566.3-174.8-62.5-63-173.7179.60109.9H126 N135H126-K138 HydrophobicContact CB-CB 4.42Å; H126-K138 PolarHBondContact CD2-O 2.87Å; H126-K138 VanDerWaalsContact CD2-O 3.3Å; H126-K138 PolarHBondContact N-O 2.79Å; N135-K138 HydrophobicContact CB-CB 4.46Å; N135-K138 HydrophobicContact CB-CG 4.32Å; N135-K138 PolarHBondContact O-N 2.94Å
139V95.8Very high95.4Very high71 Ų7171.2 Ų71.243%0.4338%0.379SS..BIsolated β-bridgetrans-126.3130-175.4-172.10000110.1Y125 E136Y125-V139 HydrophobicContact CD1-CG2 3.35Å; Y125-V139 HydrophobicContact CD2-CG1 4.35Å; Y125-V139 HydrophobicContact CD2-CG2 4.39Å; Y125-V139 HydrophobicContact CE1-CG2 3.48Å; Y125-V139 VanDerWaalsContact CE1-CG2 3.48Å; Y125-V139 HydrophobicContact CG-CG1 4.43Å; Y125-V139 HydrophobicContact CG-CG2 3.84Å; E136-V139 WeakPolarHBondContact O-CG2 3.4Å
140G95.3Very high95.7Very high14 Ų1465.9 Ų65.914%0.14436%0.359CS..  trans-109.8-175.5168.500000112G124 H126G124-G140 WeakPolarHBondContact CA-O 3.38Å; G124-G140 PolarHBondContact O-N 3.44Å; H126-G140 PolarHBondContact NE2-N 3.25Å
141E95.8Very high95.9Very high129 Ų12962.3 Ų62.360%0.60333%0.333SS*.PPolyproline II helixtrans-67.2138172.3-170.6180173.800110.8T93 G124T93-E141 WeakPolarHBondContact OG1-CB 3.33Å; T93-E141 PolarHBondContact OG1-N 3.48Å; T93-E141 VanDerWaalsContact OG1-N 3.09Å; G124-E141 PolarHBondContact N-O 2.74Å; G124-E141 VanDerWaalsContact N-O 3.16Å
142F97.9Very high96.1Very high34 Ų3459.8 Ų59.815%0.14932%0.323CS..PPolyproline II helixtrans-94.8121.2167.8-165.2-79.8000109S144 L146 Y147 P183 A185 I326F142-S144 PolarHBondContact O-N 3.46Å; F142-L146 HydrophobicContact CE1-CB 3.96Å; F142-L146 HydrophobicContact CE1-CD2 4.15Å; F142-L146 HydrophobicContact CE1-CG 3.95Å; F142-L146 HydrophobicContact CZ-CB 4.42Å; F142-L146 HydrophobicContact CZ-CD2 3.78Å; F142-L146 HydrophobicContact CZ-CG 3.93Å; F142-Y147 HydrophobicContact CD1-CD2 4.34Å; F142-P183 HydrophobicContact CD1-CB 4.43Å; F142-P183 HydrophobicContact CE1-CB 3.73Å; F142-P183 HydrophobicContact CE2-CB 4.29Å; F142-P183 HydrophobicContact CZ-CB 3.65Å; F142-A185 VanDerWaalsContact CE2-C 3.49Å; F142-I326 HydrophobicContact CE2-CG2 4.23Å; F142-I326 HydrophobicContact CZ-CG2 3.71Å
143P97.9Very high96.2Very high20 Ų2053.8 Ų53.813%0.1330%0.3CS..PPolyproline II helixtrans-60.7133.1-173.2-26.935.7000113.5L123 L145 L146 Y147L123-P143 HydrophobicContact CD1-CG 3.89Å; L123-P143 HydrophobicContact CD2-CG 4.07Å; L123-P143 HydrophobicContact CG-CG 4.39Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 2.95Å; P143-L146 HydrophobicContact CB-CB 4.3Å; P143-L146 PolarHBondContact O-N 2.82Å; P143-Y147 WeakPolarHBondContact O-CB 3.48Å; P143-Y147 PolarHBondContact O-N 2.85Å
144S98Very high96.3Very high100 Ų10050.8 Ų50.870%0.69928%0.282SS*.Hα-helixtrans-60.1-39.3-178.658.20000113.5F142 Y147 G148F142-S144 PolarHBondContact O-N 3.46Å; S144-Y147 WeakPolarHBondContact O-CB 3.48Å; S144-Y147 PolarHBondContact O-N 3.24Å; S144-G148 PolarHBondContact O-N 2.74Å
145L98Very high96.4Very high57 Ų5753 Ų5330%0.29830%0.295SS..Hα-helixtrans-57.3-53.8174.6175.961.7000110.4D79 L80 A83 P143 Y147 G148 T149D79-L145 HydrophobicContact CB-CD2 4.2Å; L80-L145 HydrophobicContact CD2-CD2 4.09Å; L80-L145 HydrophobicContact CD2-CG 3.92Å; L80-L145 HydrophobicContact CG-CD2 4.44Å; A83-L145 HydrophobicContact CB-CD2 3.94Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 2.95Å; L145-Y147 VanDerWaalsContact C-N 3.29Å; L145-Y147 PolarHBondContact O-N 2.89Å; L145-G148 PolarHBondContact O-N 2.81Å; L145-T149 WeakPolarHBondContact O-CB 3.29Å; L145-T149 PolarHBondContact O-N 2.94Å; L145-T149 PolarHBondContact O-OG1 2.81Å
146L98.2Very high96.6Very high0 Ų050.3 Ų50.30%028%0.28CS..Hα-helixtrans-63.9-37.3-179.4-170.759.9000111.4L80 W88 L123 F142 P143 T149 T150 I215 M324 I326L80-L146 HydrophobicContact CD2-CD1 4.11Å; W88-L146 HydrophobicContact CH2-CD1 4.34Å; W88-L146 HydrophobicContact CH2-CD2 4.21Å; W88-L146 HydrophobicContact CZ2-CB 4.22Å; W88-L146 HydrophobicContact CZ2-CD2 4.43Å; L123-L146 HydrophobicContact CD1-CD2 4.23Å; F142-L146 HydrophobicContact CE1-CB 3.96Å; F142-L146 HydrophobicContact CE1-CD2 4.15Å; F142-L146 HydrophobicContact CE1-CG 3.95Å; F142-L146 HydrophobicContact CZ-CB 4.42Å; F142-L146 HydrophobicContact CZ-CD2 3.78Å; F142-L146 HydrophobicContact CZ-CG 3.93Å; P143-L146 HydrophobicContact CB-CB 4.3Å; P143-L146 PolarHBondContact O-N 2.82Å; L146-T149 PolarHBondContact O-N 3.11Å; L146-T150 WeakPolarHBondContact O-CB 3.35Å; L146-T150 PolarHBondContact O-N 3.21Å; L146-T150 PolarHBondContact O-OG1 2.89Å; L146-I215 HydrophobicContact CD1-CD1 4.29Å; L146-M324 HydrophobicContact CD1-SD 4.16Å; L146-I326 HydrophobicContact CD1-CD1 4.01Å; L146-I326 HydrophobicContact CD1-CG1 4.05Å; L146-I326 HydrophobicContact CD2-CG1 3.99Å; L146-I326 HydrophobicContact CG-CG1 4.07Å
147Y98.6Very high96.7Very high101 Ų10145.4 Ų45.440%0.39626%0.257SS..Hα-helixtrans-59.7-54176.3-176.6-83.4000110.9F142 P143 S144 L145 T149 T150 V151 T182 P183F142-Y147 HydrophobicContact CD1-CD2 4.34Å; P143-Y147 WeakPolarHBondContact O-CB 3.48Å; P143-Y147 PolarHBondContact O-N 2.85Å; S144-Y147 WeakPolarHBondContact O-CB 3.48Å; S144-Y147 PolarHBondContact O-N 3.24Å; L145-Y147 VanDerWaalsContact C-N 3.29Å; L145-Y147 PolarHBondContact O-N 2.89Å; Y147-T149 VanDerWaalsContact C-N 3.35Å; Y147-T149 PolarHBondContact O-N 2.81Å; Y147-T150 PolarHBondContact O-N 2.81Å; Y147-V151 HydrophobicContact CD1-CG2 4.03Å; Y147-V151 HydrophobicContact CE1-CG2 3.68Å; Y147-V151 WeakPolarHBondContact O-CB 3.26Å; Y147-V151 WeakPolarHBondContact O-CG2 3.4Å; Y147-V151 PolarHBondContact O-N 3.13Å; Y147-T182 HydrophobicContact CE2-CG2 4.13Å; Y147-P183 HydrophobicContact CD2-CB 4.09Å; Y147-P183 HydrophobicContact CD2-CG 3.98Å; Y147-P183 HydrophobicContact CE2-CG 4.25Å; Y147-P183 HydrophobicContact CG-CG 4.45Å
148G98.1Very high96.8Very high39 Ų3943.3 Ų43.340%0.40224%0.237SC..Hα-helixtrans-60.7-43.9-179.800000112.1S144 L145 V151 N152S144-G148 PolarHBondContact O-N 2.74Å; L145-G148 PolarHBondContact O-N 2.81Å; G148-V151 PolarHBondContact O-N 2.87Å; G148-N152 WeakPolarHBondContact O-CB 3.38Å; G148-N152 PolarHBondContact O-N 3.44Å
149T97.7Very high96.8Very high14 Ų1444 Ų449%0.08624%0.242CC..Hα-helixtrans-57.9-50.7175-60.10000111.6F72 L80 L145 L146 Y147 N152 I153 I215F72-T149 HydrophobicContact CE1-CG2 3.49Å; F72-T149 VanDerWaalsContact CE1-CG2 3.49Å; F72-T149 HydrophobicContact CZ-CG2 3.87Å; L80-T149 HydrophobicContact CD1-CG2 3.65Å; L80-T149 HydrophobicContact CD2-CG2 4.37Å; L145-T149 WeakPolarHBondContact O-CB 3.29Å; L145-T149 PolarHBondContact O-N 2.94Å; L145-T149 PolarHBondContact O-OG1 2.81Å; L146-T149 PolarHBondContact O-N 3.11Å; Y147-T149 VanDerWaalsContact C-N 3.35Å; Y147-T149 PolarHBondContact O-N 2.81Å; T149-N152 WeakPolarHBondContact O-CB 3.48Å; T149-N152 PolarHBondContact O-N 2.96Å; T149-I153 HydrophobicContact CG2-CD1 4.14Å; T149-I153 WeakPolarHBondContact O-CG1 3.49Å; T149-I153 PolarHBondContact O-N 3.29Å; T149-I215 HydrophobicContact CG2-CD1 4.09Å
150T98.3Very high96.6Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-67.4-40.3-177.9-56.10000112L146 Y147 N152 I153 I154 Y181 P183 V213 I326L146-T150 WeakPolarHBondContact O-CB 3.35Å; L146-T150 PolarHBondContact O-N 3.21Å; L146-T150 PolarHBondContact O-OG1 2.89Å; Y147-T150 PolarHBondContact O-N 2.81Å; T150-N152 VanDerWaalsContact C-N 3.27Å; T150-N152 PolarHBondContact O-N 2.93Å; T150-I153 WeakPolarHBondContact O-CB 3.48Å; T150-I153 PolarHBondContact O-N 2.95Å; T150-I154 HydrophobicContact CG2-CG1 4.49Å; T150-I154 WeakPolarHBondContact O-CG1 3.39Å; T150-I154 PolarHBondContact O-N 3.1Å; T150-Y181 HydrophobicContact CG2-CE1 3.67Å; T150-P183 HydrophobicContact CG2-CB 4.39Å; T150-P183 HydrophobicContact CG2-CG 3.88Å; T150-V213 HydrophobicContact CG2-CB 4.18Å; T150-V213 HydrophobicContact CG2-CG1 4.39Å; T150-V213 HydrophobicContact CG2-CG2 4.02Å; T150-I326 HydrophobicContact CG2-CB 4.18Å; T150-I326 HydrophobicContact CG2-CG2 3.8Å
151V97.9Very high96.5Very high38 Ų3840.3 Ų40.323%0.2322%0.216CC..Hα-helixtrans-60.9-38.2174.51690000111.2Y147 G148 I154 N155 P183Y147-V151 HydrophobicContact CD1-CG2 4.03Å; Y147-V151 HydrophobicContact CE1-CG2 3.68Å; Y147-V151 WeakPolarHBondContact O-CB 3.26Å; Y147-V151 WeakPolarHBondContact O-CG2 3.4Å; Y147-V151 PolarHBondContact O-N 3.13Å; G148-V151 PolarHBondContact O-N 2.87Å; V151-I154 PolarHBondContact O-N 3.34Å; V151-N155 WeakPolarHBondContact CG1-ND2 3.34Å; V151-N155 WeakPolarHBondContact O-CB 3.23Å; V151-N155 PolarHBondContact O-N 3.49Å; V151-N155 PolarHBondContact O-ND2 3.25Å; V151-N155 VanDerWaalsContact O-ND2 3.1Å; V151-P183 HydrophobicContact CG2-CG 4.03Å
152N96.4Very high96.4Very high69 Ų6939.1 Ų39.137%0.36921%0.21SC..Hα-helixtrans-63.7-45.4175.1-170.327.8000111.9G148 T149 T150 I154 N155 F156G148-N152 WeakPolarHBondContact O-CB 3.38Å; G148-N152 PolarHBondContact O-N 3.44Å; T149-N152 WeakPolarHBondContact O-CB 3.48Å; T149-N152 PolarHBondContact O-N 2.96Å; T150-N152 VanDerWaalsContact C-N 3.27Å; T150-N152 PolarHBondContact O-N 2.93Å; N152-I154 PolarHBondContact O-N 3.47Å; N152-N155 PolarHBondContact O-N 3.25Å; N152-F156 WeakPolarHBondContact O-CB 3.31Å; N152-F156 PolarHBondContact O-N 2.74Å
153I97Very high96.2Very high0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-56.9-48.3176-69163.6000111.2L68 F71 F72 T149 T150 F156 L157 V213 I215 V256 I258L68-I153 HydrophobicContact CD1-CG2 3.95Å; F71-I153 HydrophobicContact CD1-CG1 4.02Å; F71-I153 HydrophobicContact CE1-CB 4.47Å; F71-I153 HydrophobicContact CE1-CG1 3.45Å; F71-I153 VanDerWaalsContact CE1-CG1 3.45Å; F71-I153 HydrophobicContact CZ-CG1 4.02Å; F72-I153 HydrophobicContact CE1-CD1 4.3Å; F72-I153 HydrophobicContact CZ-CD1 3.86Å; F72-I153 HydrophobicContact CZ-CG1 4.48Å; T149-I153 HydrophobicContact CG2-CD1 4.14Å; T149-I153 WeakPolarHBondContact O-CG1 3.49Å; T149-I153 PolarHBondContact O-N 3.29Å; T150-I153 WeakPolarHBondContact O-CB 3.48Å; T150-I153 PolarHBondContact O-N 2.95Å; I153-F156 WeakPolarHBondContact O-CB 3.35Å; I153-F156 PolarHBondContact O-N 3.4Å; I153-L157 PolarHBondContact O-N 3.26Å; I153-V213 HydrophobicContact CD1-CG1 3.96Å; I153-V213 HydrophobicContact CG2-CG1 4.07Å; I153-V213 HydrophobicContact CG2-CG2 4.43Å; I153-I215 HydrophobicContact CD1-CD1 3.92Å; I153-I215 HydrophobicContact CD1-CG1 4.19Å; I153-V256 HydrophobicContact CD1-CG1 3.98Å; I153-V256 HydrophobicContact CD1-CG2 4.25Å; I153-V256 HydrophobicContact CG1-CG1 4.48Å; I153-V256 HydrophobicContact CG2-CG1 3.92Å; I153-I258 HydrophobicContact CG2-CD1 3.63Å; I153-I258 HydrophobicContact CG2-CG1 4.15Å
154I97.8Very high95.8Very high3 Ų349.1 Ų49.12%0.01526%0.258CS..Hα-helixtrans-68.7-40.8-178.2-66.7-64.3000111.5T150 V151 N152 F156 L157 K158 C178 Y181 P211 V213T150-I154 HydrophobicContact CG2-CG1 4.49Å; T150-I154 WeakPolarHBondContact O-CG1 3.39Å; T150-I154 PolarHBondContact O-N 3.1Å; V151-I154 PolarHBondContact O-N 3.34Å; N152-I154 PolarHBondContact O-N 3.47Å; I154-F156 VanDerWaalsContact C-N 3.3Å; I154-F156 PolarHBondContact O-N 3.14Å; I154-L157 PolarHBondContact O-N 3.37Å; I154-K158 WeakPolarHBondContact O-CB 3.32Å; I154-K158 PolarHBondContact O-N 3.42Å; I154-C178 HydrophobicContact CG2-CB 3.76Å; I154-C178 WeakPolarHBondContact CG2-O 3.39Å; I154-Y181 HydrophobicContact CB-CD1 4.34Å; I154-Y181 HydrophobicContact CD1-CD1 4.42Å; I154-Y181 HydrophobicContact CD1-CE1 4.47Å; I154-Y181 HydrophobicContact CD1-CG 4.45Å; I154-Y181 HydrophobicContact CG1-CD1 3.64Å; I154-Y181 HydrophobicContact CG1-CE1 3.86Å; I154-Y181 HydrophobicContact CG1-CG 4Å; I154-Y181 HydrophobicContact CG2-CD1 4.42Å; I154-Y181 HydrophobicContact CG2-CG 4.2Å; I154-P211 HydrophobicContact CD1-CB 3.99Å; I154-P211 HydrophobicContact CD1-CG 4.32Å; I154-V213 HydrophobicContact CD1-CG2 3.67Å; I154-V213 HydrophobicContact CG1-CG2 4.19Å
155N96.1Very high95.4Very high66 Ų6649.3 Ų49.335%0.35325%0.248SC..Hα-helixtrans-64.1-36.6174.9-81.4-44.7000112.3V151 N152 K158 H159V151-N155 WeakPolarHBondContact CG1-ND2 3.34Å; V151-N155 WeakPolarHBondContact O-CB 3.23Å; V151-N155 PolarHBondContact O-N 3.49Å; V151-N155 PolarHBondContact O-ND2 3.25Å; V151-N155 VanDerWaalsContact O-ND2 3.1Å; N152-N155 PolarHBondContact O-N 3.25Å; N155-K158 PolarHBondContact O-N 2.98Å; N155-K158 PolarHBondContact OD1-NZ 3.42Å; N155-K158 VanDerWaalsContact OD1-NZ 3.16Å; N155-H159 WeakPolarHBondContact O-CB 3.42Å; N155-H159 PolarHBondContact O-N 2.89Å
156F94.5Very high95.1Very high20 Ų2046.8 Ų46.89%0.08824%0.235CC..Hα-helixtrans-61.7-50.7173.1-178.9-102.7000111.3L48 V57 L68 F71 N152 I153 I154 K158 H159 L160L48-F156 HydrophobicContact CB-CE2 4.32Å; L48-F156 HydrophobicContact CD1-CE2 3.5Å; L48-F156 HydrophobicContact CD1-CZ 3.6Å; L48-F156 HydrophobicContact CG-CE2 4.33Å; V57-F156 HydrophobicContact CG2-CE1 3.94Å; L68-F156 HydrophobicContact CD1-CD1 4.01Å; L68-F156 HydrophobicContact CD1-CE1 4.42Å; L68-F156 HydrophobicContact CD2-CD1 4.29Å; L68-F156 HydrophobicContact CD2-CE1 4.19Å; F71-F156 HydrophobicContact CD2-CD1 4.05Å; F71-F156 HydrophobicContact CD2-CE1 4.16Å; F71-F156 HydrophobicContact CD2-CG 4.29Å; F71-F156 HydrophobicContact CE2-CB 3.8Å; F71-F156 AromaticContact CE2-CD1 3.75Å; F71-F156 HydrophobicContact CE2-CD1 3.75Å; F71-F156 AromaticContact CE2-CD2 3.95Å; F71-F156 HydrophobicContact CE2-CD2 3.95Å; F71-F156 HydrophobicContact CE2-CE1 4.25Å; F71-F156 HydrophobicContact CE2-CE2 4.41Å; F71-F156 AromaticContact CE2-CG 3.57Å; F71-F156 HydrophobicContact CE2-CG 3.57Å; F71-F156 HydrophobicContact CZ-CB 4.25Å; F71-F156 HydrophobicContact CZ-CG 4.48Å; N152-F156 WeakPolarHBondContact O-CB 3.31Å; N152-F156 PolarHBondContact O-N 2.74Å; I153-F156 WeakPolarHBondContact O-CB 3.35Å; I153-F156 PolarHBondContact O-N 3.4Å; I154-F156 VanDerWaalsContact C-N 3.3Å; I154-F156 PolarHBondContact O-N 3.14Å; F156-K158 VanDerWaalsContact C-N 3.32Å; F156-K158 PolarHBondContact O-N 3.16Å; F156-H159 PolarHBondContact O-N 3.37Å; F156-L160 HydrophobicContact CD1-CD1 4Å; F156-L160 HydrophobicContact CE1-CD1 3.52Å; F156-L160 HydrophobicContact CE1-CG 4.29Å; F156-L160 HydrophobicContact CZ-CD1 3.94Å; F156-L160 HydrophobicContact CZ-CG 4.42Å; F156-L160 WeakPolarHBondContact O-CG 3.28Å; F156-L160 PolarHBondContact O-N 2.92Å; F156-L160 VanDerWaalsContact O-N 3.08Å
157L94.8Very high94.6Very high0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-56.5-47.1176-179.170.4000111.4F66 I153 I154 H159 L160 I161 I166 I258F66-L157 HydrophobicContact CB-CD1 4.37Å; F66-L157 HydrophobicContact CD1-CD1 3.72Å; F66-L157 HydrophobicContact CD2-CD1 4.02Å; F66-L157 HydrophobicContact CD2-CD2 4.24Å; F66-L157 HydrophobicContact CE1-CD1 4.02Å; F66-L157 HydrophobicContact CE2-CD1 4.26Å; F66-L157 HydrophobicContact CE2-CD2 4.31Å; F66-L157 HydrophobicContact CG-CD1 3.76Å; F66-L157 HydrophobicContact CZ-CD1 4.28Å; I153-L157 PolarHBondContact O-N 3.26Å; I154-L157 PolarHBondContact O-N 3.37Å; L157-H159 PolarHBondContact O-N 3.33Å; L157-L160 PolarHBondContact O-N 3.48Å; L157-I161 HydrophobicContact CD1-CD1 4.28Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.93Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.92Å; L157-I161 VanDerWaalsContact O-N 3.1Å; L157-I166 HydrophobicContact CD1-CD1 3.53Å; L157-I258 HydrophobicContact CB-CD1 4.08Å; L157-I258 HydrophobicContact CD1-CD1 4.34Å; L157-I258 HydrophobicContact CD2-CD1 3.9Å; L157-I258 HydrophobicContact CD2-CG2 3.96Å; L157-I258 HydrophobicContact CG-CD1 4.33Å
158K95.2Very high94.2Very high43 Ų4345.1 Ų45.119%0.18724%0.238CC..Hα-helixtrans-55.8-49.6177.5-169.3-172.876.2-163.90111.3I154 N155 F156 L160 I161 E162 L175 C178I154-K158 WeakPolarHBondContact O-CB 3.32Å; I154-K158 PolarHBondContact O-N 3.42Å; N155-K158 PolarHBondContact O-N 2.98Å; N155-K158 PolarHBondContact OD1-NZ 3.42Å; N155-K158 VanDerWaalsContact OD1-NZ 3.16Å; F156-K158 VanDerWaalsContact C-N 3.32Å; F156-K158 PolarHBondContact O-N 3.16Å; K158-L160 VanDerWaalsContact C-N 3.3Å; K158-L160 PolarHBondContact O-N 3.09Å; K158-I161 PolarHBondContact O-N 3.15Å; K158-I161 VanDerWaalsContact O-N 3.12Å; K158-E162 WeakPolarHBondContact CE-OE1 3.3Å; K158-E162 HydrophobicContact CG-CG 4.4Å; K158-E162 WeakPolarHBondContact O-CG 3.15Å; K158-E162 PolarHBondContact O-N 3.44Å; K158-L175 HydrophobicContact CG-CD2 3.63Å; K158-C178 HydrophobicContact CB-CB 4.02Å; K158-C178 HydrophobicContact CD-CB 4.43Å; K158-C178 HydrophobicContact CG-CB 4.15Å
159H93.6Very high93.8Very high107 Ų10746.4 Ų46.450%0.49524%0.241SC..Hα-helixtrans-59.1-40.8179.9-175.264.1000112.4N155 F156 L157 I161 E162 G163N155-H159 WeakPolarHBondContact O-CB 3.42Å; N155-H159 PolarHBondContact O-N 2.89Å; F156-H159 PolarHBondContact O-N 3.37Å; L157-H159 PolarHBondContact O-N 3.33Å; H159-I161 PolarHBondContact O-N 3.36Å; H159-E162 PolarHBondContact O-N 3.28Å; H159-G163 PolarHBondContact O-N 3.19Å
160L92.5Very high93.6Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-65-37.9176.8-65.2-178.2000112.6F45 L48 V57 F156 L157 K158 R164 E165 I166F45-L160 HydrophobicContact CD1-CD2 4.39Å; F45-L160 HydrophobicContact CE1-CD2 3.66Å; F45-L160 HydrophobicContact CE2-CD1 4.01Å; F45-L160 HydrophobicContact CE2-CD2 4.14Å; F45-L160 HydrophobicContact CZ-CD1 3.94Å; F45-L160 HydrophobicContact CZ-CD2 3.5Å; F45-L160 VanDerWaalsContact CZ-CD2 3.5Å; F45-L160 HydrophobicContact CZ-CG 4.33Å; L48-L160 HydrophobicContact CD1-CD2 3.86Å; L48-L160 HydrophobicContact CD2-CD2 4.41Å; V57-L160 HydrophobicContact CB-CD1 4.46Å; V57-L160 HydrophobicContact CG2-CD1 3.69Å; F156-L160 HydrophobicContact CD1-CD1 4Å; F156-L160 HydrophobicContact CE1-CD1 3.52Å; F156-L160 HydrophobicContact CE1-CG 4.29Å; F156-L160 HydrophobicContact CZ-CD1 3.94Å; F156-L160 HydrophobicContact CZ-CG 4.42Å; F156-L160 WeakPolarHBondContact O-CG 3.28Å; F156-L160 PolarHBondContact O-N 2.92Å; F156-L160 VanDerWaalsContact O-N 3.08Å; L157-L160 PolarHBondContact O-N 3.48Å; K158-L160 VanDerWaalsContact C-N 3.3Å; K158-L160 PolarHBondContact O-N 3.09Å; L160-R164 PolarHBondContact O-N 2.94Å; L160-R164 VanDerWaalsContact O-N 3.16Å; L160-E165 HydrophobicContact CB-CB 4.28Å; L160-E165 HydrophobicContact CD2-CB 3.95Å; L160-E165 HydrophobicContact CD2-CG 4.2Å; L160-E165 WeakPolarHBondContact O-CB 3.48Å; L160-E165 PolarHBondContact O-N 2.89Å; L160-I166 HydrophobicContact CB-CD1 3.75Å; L160-I166 HydrophobicContact CB-CG1 3.81Å; L160-I166 HydrophobicContact CB-CG2 4.42Å; L160-I166 HydrophobicContact CD1-CD1 4.19Å; L160-I166 HydrophobicContact CD1-CG2 4.36Å; L160-I166 PolarHBondContact O-N 3.33Å
161I93.2Very high93.3Very high6 Ų651.9 Ų51.93%0.03127%0.273CS..Hα-helixtrans-71.8-43.8177.8-62164.2000110.5L157 K158 H159 G163 R164 I166 L174 L175L157-I161 HydrophobicContact CD1-CD1 4.28Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.93Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.92Å; L157-I161 VanDerWaalsContact O-N 3.1Å; K158-I161 PolarHBondContact O-N 3.15Å; K158-I161 VanDerWaalsContact O-N 3.12Å; H159-I161 PolarHBondContact O-N 3.36Å; I161-G163 VanDerWaalsContact C-N 3.32Å; I161-G163 PolarHBondContact O-N 3.37Å; I161-R164 PolarHBondContact O-N 3.44Å; I161-I166 HydrophobicContact CG1-CD1 3.89Å; I161-I166 HydrophobicContact CG1-CG1 3.8Å; I161-L174 HydrophobicContact CD1-CD2 3.48Å; I161-L174 VanDerWaalsContact CD1-CD2 3.48Å; I161-L174 HydrophobicContact CD1-CG 3.77Å; I161-L175 HydrophobicContact CB-CD2 3.85Å; I161-L175 HydrophobicContact CB-CG 4.39Å; I161-L175 HydrophobicContact CG2-CD1 4.05Å; I161-L175 HydrophobicContact CG2-CD2 3.79Å; I161-L175 HydrophobicContact CG2-CG 3.76Å
162E93.6Very high93.2Very high105 Ų10554.4 Ų54.449%0.49129%0.293SS..Hα-helixtrans-59.1-43.6175.4-72.1172.316700111.4K158 H159 R164 L175K158-E162 WeakPolarHBondContact CE-OE1 3.3Å; K158-E162 HydrophobicContact CG-CG 4.4Å; K158-E162 WeakPolarHBondContact O-CG 3.15Å; K158-E162 PolarHBondContact O-N 3.44Å; H159-E162 PolarHBondContact O-N 3.28Å; E162-R164 PolarHBondContact O-N 3.1Å; E162-L175 HydrophobicContact CG-CD1 4.23Å; E162-L175 HydrophobicContact CG-CD2 3.6Å
163G91.9Very high93.1Very high44 Ų4455.1 Ų55.145%0.45429%0.29SS..THydrogen-bonded Turntrans-72.1-7.4175.600000114.5H159 I161 E165H159-G163 PolarHBondContact O-N 3.19Å; I161-G163 VanDerWaalsContact C-N 3.32Å; I161-G163 PolarHBondContact O-N 3.37Å; G163-E165 PolarHBondContact O-N 3.38Å
164R90.5Very high93Very high219 Ų21955.3 Ų55.383%0.82629%0.291SS*.THydrogen-bonded Turntrans59.123.7-173.8-49.8-179.1-177.5-169.2-0.4113.9L160 I161 E162 I166L160-R164 PolarHBondContact O-N 2.94Å; L160-R164 VanDerWaalsContact O-N 3.16Å; I161-R164 PolarHBondContact O-N 3.44Å; E162-R164 PolarHBondContact O-N 3.1Å; R164-I166 VanDerWaalsContact C-N 3.29Å
165E89.7Confident92.9Very high104 Ų10457 Ų5749%0.48630%0.3SS..SBendtrans-70.7-29.7176.4-65.1-64.1165.600111.7T43 F45 L160 G163T43-E165 PolarHBondContact OG1-O 2.98Å; F45-E165 HydrophobicContact CE1-CB 3.86Å; F45-E165 HydrophobicContact CE1-CG 4.15Å; F45-E165 HydrophobicContact CZ-CB 4.12Å; L160-E165 HydrophobicContact CB-CB 4.28Å; L160-E165 HydrophobicContact CD2-CB 3.95Å; L160-E165 HydrophobicContact CD2-CG 4.2Å; L160-E165 WeakPolarHBondContact O-CB 3.48Å; L160-E165 PolarHBondContact O-N 2.89Å; G163-E165 PolarHBondContact O-N 3.38Å
166I90.8Very high92.9Very high5 Ų558.2 Ų58.23%0.02630%0.304CS..SBendtrans-126.8154.3172.466.3-178.7000110.5F45 V57 T59 F66 L157 L160 I161 R164F45-I166 HydrophobicContact CZ-CG2 4.45Å; V57-I166 HydrophobicContact CB-CG2 4.44Å; V57-I166 HydrophobicContact CG1-CG2 4.19Å; T59-I166 HydrophobicContact CG2-CB 4.28Å; T59-I166 HydrophobicContact CG2-CG2 4.19Å; F66-I166 HydrophobicContact CD1-CD1 3.86Å; F66-I166 HydrophobicContact CE1-CD1 3.72Å; F66-I166 HydrophobicContact CE1-CG1 4.48Å; L157-I166 HydrophobicContact CD1-CD1 3.53Å; L160-I166 HydrophobicContact CB-CD1 3.75Å; L160-I166 HydrophobicContact CB-CG1 3.81Å; L160-I166 HydrophobicContact CB-CG2 4.42Å; L160-I166 HydrophobicContact CD1-CD1 4.19Å; L160-I166 HydrophobicContact CD1-CG2 4.36Å; L160-I166 PolarHBondContact O-N 3.33Å; I161-I166 HydrophobicContact CG1-CD1 3.89Å; I161-I166 HydrophobicContact CG1-CG1 3.8Å; R164-I166 VanDerWaalsContact C-N 3.29Å
167S88.7Confident93Very high48 Ų4858.3 Ų58.334%0.33630%0.304SS..  trans-99145.4-179.6-51.90000109.9K41K41-S167 PolarHBondContact NZ-OG 3.25Å
168S90.3Very high93.1Very high18 Ų1858.5 Ų58.513%0.12631%0.306CS..  trans-130.9150.1172.9168.30000109.5D64 N170D64-S168 VanDerWaalsContact CG-OG 3.3Å; D64-S168 WeakPolarHBondContact OD1-CA 3.39Å; D64-S168 WeakPolarHBondContact OD1-CB 3.49Å; D64-S168 PolarHBondContact OD1-OG 3.48Å; D64-S168 PolarHBondContact OD2-OG 2.92Å; S168-N170 PolarHBondContact O-N 2.74Å; S168-N170 PolarHBondContact OG-N 3.45Å
169S89Confident93.1Very high66 Ų6663.1 Ų63.146%0.46233%0.328SS..THydrogen-bonded Turntrans-64.3-31.2176.680.60000112.2P61 D64P61-S169 PolarHBondContact O-N 3.34Å; D64-S169 PolarHBondContact OD1-N 3.45Å; D64-S169 WeakPolarHBondContact OD2-CB 3.15Å; D64-S169 PolarHBondContact OD2-N 3.11Å; D64-S169 PolarHBondContact OD2-OG 3.3Å
170N93.3Very high93.2Very high80 Ų8060.8 Ų60.843%0.42832%0.319SS..THydrogen-bonded Turntrans-14573.4177.3-171.1-15.4000110.6S168 S172 R173 L174S168-N170 PolarHBondContact O-N 2.74Å; S168-N170 PolarHBondContact OG-N 3.45Å; N170-S172 VanDerWaalsContact C-N 3.26Å; N170-S172 PolarHBondContact O-N 3.37Å; N170-S172 PolarHBondContact OD1-OG 3.27Å; N170-R173 HydrophobicContact CB-CB 4.31Å; N170-R173 VanDerWaalsContact CG-CB 3.49Å; N170-R173 PolarHBondContact O-N 3.41Å; N170-R173 WeakPolarHBondContact OD1-CB 3.48Å; N170-R173 PolarHBondContact OD1-N 3.01Å; N170-L174 PolarHBondContact O-N 2.99Å
171S93Very high93.4Very high48 Ų4861.5 Ų61.534%0.33632%0.322SS..Hα-helixtrans-53.8-38.9-176.3-58.90000113.5L174 L175S171-L174 PolarHBondContact O-N 3Å; S171-L175 VanDerWaalsContact O-CB 3.29Å; S171-L175 WeakPolarHBondContact O-CB 3.47Å; S171-L175 WeakPolarHBondContact O-CG 3.21Å; S171-L175 PolarHBondContact O-N 3.21Å
172S94.3Very high93.7Very high91 Ų9163.6 Ų63.664%0.63634%0.335SS*.Hα-helixtrans-66.2-42.8-178.451.50000112.3N170 E176N170-S172 VanDerWaalsContact C-N 3.26Å; N170-S172 PolarHBondContact O-N 3.37Å; N170-S172 PolarHBondContact OD1-OG 3.27Å; S172-E176 PolarHBondContact O-N 3.15Å; S172-E176 VanDerWaalsContact O-N 3.16Å
173R94.7Very high93.9Very high85 Ų8558.8 Ų58.832%0.32131%0.313SS..Hα-helixtrans-68.3-43177.6-175.556.5166.2-178.9-1.6111.4N170 L175 E176 Q177 E209N170-R173 HydrophobicContact CB-CB 4.31Å; N170-R173 VanDerWaalsContact CG-CB 3.49Å; N170-R173 PolarHBondContact O-N 3.41Å; N170-R173 WeakPolarHBondContact OD1-CB 3.48Å; N170-R173 PolarHBondContact OD1-N 3.01Å; R173-L175 VanDerWaalsContact C-N 3.35Å; R173-L175 PolarHBondContact O-N 2.98Å; R173-E176 IonicContact CZ-OE2 3.79Å; R173-E176 IonicContact NH1-OE1 3.76Å; R173-E176 IonicContact NH1-OE2 2.76Å; R173-E176 PolarHBondContact NH1-OE2 2.99Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 2.74Å; R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 2.8Å; R173-E209 IonicContact CZ-OE1 3.35Å; R173-E209 IonicContact CZ-OE2 3.64Å; R173-E209 IonicContact NE-OE1 3.73Å; R173-E209 PolarHBondContact NE-OE1 2.93Å; R173-E209 IonicContact NE-OE2 3.44Å; R173-E209 IonicContact NH2-OE1 3.03Å; R173-E209 PolarHBondContact NH2-OE1 2.92Å; R173-E209 IonicContact NH2-OE2 2.63Å; R173-E209 PolarHBondContact NH2-OE2 3.06Å
174L95.5Very high94.2Very high3 Ų358.6 Ų58.62%0.01630%0.3CS..Hα-helixtrans-64.8-39178.4-177.252000112F66 I161 N170 S171 Q177 C178 P211 A260F66-L174 HydrophobicContact CE2-CD2 3.9Å; F66-L174 HydrophobicContact CZ-CD2 3.79Å; I161-L174 HydrophobicContact CD1-CD2 3.48Å; I161-L174 VanDerWaalsContact CD1-CD2 3.48Å; I161-L174 HydrophobicContact CD1-CG 3.77Å; N170-L174 PolarHBondContact O-N 2.99Å; S171-L174 PolarHBondContact O-N 3Å; L174-Q177 PolarHBondContact O-N 2.91Å; L174-C178 WeakPolarHBondContact O-CB 3.31Å; L174-C178 PolarHBondContact O-N 2.93Å; L174-C178 PolarHBondContact O-SG 2.97Å; L174-P211 HydrophobicContact CD1-CG 4.06Å; L174-A260 HydrophobicContact CD1-CB 3.53Å; L174-A260 HydrophobicContact CD2-CB 4.41Å
175L96.5Very high94.6Very high40 Ų4048.2 Ų48.221%0.20926%0.261CS..Hα-helixtrans-63.1-41.8175.1-75173.3000112.4K158 I161 E162 S171 R173 C178 Q179K158-L175 HydrophobicContact CG-CD2 3.63Å; I161-L175 HydrophobicContact CB-CD2 3.85Å; I161-L175 HydrophobicContact CB-CG 4.39Å; I161-L175 HydrophobicContact CG2-CD1 4.05Å; I161-L175 HydrophobicContact CG2-CD2 3.79Å; I161-L175 HydrophobicContact CG2-CG 3.76Å; E162-L175 HydrophobicContact CG-CD1 4.23Å; E162-L175 HydrophobicContact CG-CD2 3.6Å; S171-L175 VanDerWaalsContact O-CB 3.29Å; S171-L175 WeakPolarHBondContact O-CB 3.47Å; S171-L175 WeakPolarHBondContact O-CG 3.21Å; S171-L175 PolarHBondContact O-N 3.21Å; R173-L175 VanDerWaalsContact C-N 3.35Å; R173-L175 PolarHBondContact O-N 2.98Å; L175-C178 PolarHBondContact O-N 3.12Å; L175-Q179 VanDerWaalsContact O-CB 3.28Å; L175-Q179 WeakPolarHBondContact O-CB 3.25Å; L175-Q179 PolarHBondContact O-N 2.74Å
176E95.7Very high95Very high91 Ų9143.3 Ų43.343%0.42524%0.238SC..Hα-helixtrans-60.9-45.6175-177.3-174-164.300111.5S172 R173 Q179 N180S172-E176 PolarHBondContact O-N 3.15Å; S172-E176 VanDerWaalsContact O-N 3.16Å; R173-E176 IonicContact CZ-OE2 3.79Å; R173-E176 IonicContact NH1-OE1 3.76Å; R173-E176 IonicContact NH1-OE2 2.76Å; R173-E176 PolarHBondContact NH1-OE2 2.99Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 2.74Å; E176-Q179 PolarHBondContact O-N 3.47Å; E176-N180 PolarHBondContact O-N 3.22Å; E176-N180 PolarHBondContact O-ND2 2.75Å; E176-N180 VanDerWaalsContact O-ND2 3.11Å
177Q95.8Very high95.3Very high22 Ų2243.5 Ų43.510%0.10324%0.239CC..Hα-helixtrans-63-45.2177-68.4163.1-14.500111.6R173 L174 Q179 N180 Y181 E209R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 2.8Å; L174-Q177 PolarHBondContact O-N 2.91Å; Q177-Q179 VanDerWaalsContact C-N 3.35Å; Q177-Q179 PolarHBondContact O-N 3.27Å; Q177-N180 PolarHBondContact O-N 2.89Å; Q177-Y181 PolarHBondContact O-N 2.96Å; Q177-Y181 VanDerWaalsContact O-N 3.13Å; Q177-E209 VanDerWaalsContact NE2-CB 3.31Å; Q177-E209 PolarHBondContact NE2-O 2.94Å; Q177-E209 VanDerWaalsContact NE2-O 3.14Å; Q177-E209 PolarHBondContact OE1-O 3.42Å
178C96.5Very high95.8Very high4 Ų441.2 Ų41.23%0.02722%0.223CC..Hα-helixtrans-65.1-36.4177.2-72.60000112.6I154 K158 L174 L175 N180 Y181I154-C178 HydrophobicContact CG2-CB 3.76Å; I154-C178 WeakPolarHBondContact CG2-O 3.39Å; K158-C178 HydrophobicContact CB-CB 4.02Å; K158-C178 HydrophobicContact CD-CB 4.43Å; K158-C178 HydrophobicContact CG-CB 4.15Å; L174-C178 WeakPolarHBondContact O-CB 3.31Å; L174-C178 PolarHBondContact O-N 2.93Å; L174-C178 PolarHBondContact O-SG 2.97Å; L175-C178 PolarHBondContact O-N 3.12Å; C178-N180 VanDerWaalsContact C-N 3.31Å; C178-N180 PolarHBondContact O-N 2.95Å; C178-Y181 PolarHBondContact O-N 3.14Å
179Q96.1Very high96.1Very high139 Ų13941.1 Ų41.165%0.6522%0.221SC*.Hα-helixtrans-64.9-36.6179.6177.7172.1-2.300112.2L175 E176 Q177L175-Q179 VanDerWaalsContact O-CB 3.28Å; L175-Q179 WeakPolarHBondContact O-CB 3.25Å; L175-Q179 PolarHBondContact O-N 2.74Å; E176-Q179 PolarHBondContact O-N 3.47Å; Q177-Q179 VanDerWaalsContact C-N 3.35Å; Q177-Q179 PolarHBondContact O-N 3.27Å
180N95.5Very high96.5Very high58 Ų5838 Ų3831%0.3120%0.2SC..THydrogen-bonded Turntrans-99.97.7-176.4-60.3-47.6000113.2E176 Q177 C178 T182 Q328 V332E176-N180 PolarHBondContact O-N 3.22Å; E176-N180 PolarHBondContact O-ND2 2.75Å; E176-N180 VanDerWaalsContact O-ND2 3.11Å; Q177-N180 PolarHBondContact O-N 2.89Å; C178-N180 VanDerWaalsContact C-N 3.31Å; C178-N180 PolarHBondContact O-N 2.95Å; N180-T182 PolarHBondContact O-N 2.83Å; N180-Q328 PolarHBondContact O-OE1 3.4Å; N180-V332 HydrophobicContact CB-CB 4.33Å; N180-V332 HydrophobicContact CB-CG1 4.35Å; N180-V332 HydrophobicContact CB-CG2 3.54Å; N180-V332 WeakPolarHBondContact O-CG2 3.28Å
181Y97.8Very high96.7Very high15 Ų1534.7 Ų34.76%0.05918%0.181CC..  trans-66.1126.3-173.6-170-95.1000112.9T150 I154 Q177 C178 P183 A210 P211 I326 Q328T150-Y181 HydrophobicContact CG2-CE1 3.67Å; I154-Y181 HydrophobicContact CB-CD1 4.34Å; I154-Y181 HydrophobicContact CD1-CD1 4.42Å; I154-Y181 HydrophobicContact CD1-CE1 4.47Å; I154-Y181 HydrophobicContact CD1-CG 4.45Å; I154-Y181 HydrophobicContact CG1-CD1 3.64Å; I154-Y181 HydrophobicContact CG1-CE1 3.86Å; I154-Y181 HydrophobicContact CG1-CG 4Å; I154-Y181 HydrophobicContact CG2-CD1 4.42Å; I154-Y181 HydrophobicContact CG2-CG 4.2Å; Q177-Y181 PolarHBondContact O-N 2.96Å; Q177-Y181 VanDerWaalsContact O-N 3.13Å; C178-Y181 PolarHBondContact O-N 3.14Å; Y181-P183 HydrophobicContact CD1-CG 4.25Å; Y181-P183 HydrophobicContact CE1-CB 4.45Å; Y181-P183 HydrophobicContact CE1-CG 3.88Å; Y181-A210 HydrophobicContact CD2-CB 4.12Å; Y181-A210 HydrophobicContact CE2-CB 4.17Å; Y181-P211 HydrophobicContact CE2-CB 4.43Å; Y181-P211 WeakPolarHBondContact CE2-O 3.3Å; Y181-P211 PolarHBondContact OH-O 3.06Å; Y181-P211 VanDerWaalsContact OH-O 3.12Å; Y181-I326 PolarHBondContact OH-O 2.82Å; Y181-Q328 VanDerWaalsContact CA-OE1 3.27Å; Y181-Q328 HydrophobicContact CD2-CB 4.33Å; Y181-Q328 HydrophobicContact CE2-CB 4.04Å
182T97.7Very high96.7Very high50 Ų5034.6 Ų34.631%0.30717%0.173SC..  trans-125.6116.2173.8-54.90000109.6Y147 N180 E184 Q328Y147-T182 HydrophobicContact CE2-CG2 4.13Å; N180-T182 PolarHBondContact O-N 2.83Å; T182-E184 HydrophobicContact CG2-CG 4.07Å; T182-E184 WeakPolarHBondContact O-CG 3.5Å; T182-E184 PolarHBondContact O-N 2.82Å; T182-Q328 WeakPolarHBondContact O-CA 3.44Å; T182-Q328 VanDerWaalsContact O-CB 3.25Å; T182-Q328 WeakPolarHBondContact O-CB 2.89Å; T182-Q328 WeakPolarHBondContact O-CG 2.97Å
183P98.2Very high96.4Very high4 Ų434.9 Ų34.93%0.02617%0.171CC..  trans-61.5115.5169.9-18.528.7000110.8F142 Y147 T150 V151 Y181 I326F142-P183 HydrophobicContact CD1-CB 4.43Å; F142-P183 HydrophobicContact CE1-CB 3.73Å; F142-P183 HydrophobicContact CE2-CB 4.29Å; F142-P183 HydrophobicContact CZ-CB 3.65Å; Y147-P183 HydrophobicContact CD2-CB 4.09Å; Y147-P183 HydrophobicContact CD2-CG 3.98Å; Y147-P183 HydrophobicContact CE2-CG 4.25Å; Y147-P183 HydrophobicContact CG-CG 4.45Å; T150-P183 HydrophobicContact CG2-CB 4.39Å; T150-P183 HydrophobicContact CG2-CG 3.88Å; V151-P183 HydrophobicContact CG2-CG 4.03Å; Y181-P183 HydrophobicContact CD1-CG 4.25Å; Y181-P183 HydrophobicContact CE1-CB 4.45Å; Y181-P183 HydrophobicContact CE1-CG 3.88Å; P183-I326 HydrophobicContact CB-CG2 3.74Å
184E98Very high96Very high41 Ų4140.1 Ų40.119%0.19220%0.196CC..  trans-123.1-27.2-174-74.6-176.6147.300113.2G124 Y125 T182 R327 V329 M330G124-E184 CarbonylContact C-O 3.56Å; G124-E184 VanDerWaalsContact CA-O 3.29Å; G124-E184 WeakPolarHBondContact CA-O 3.42Å; Y125-E184 HydrophobicContact CD2-CB 3.88Å; Y125-E184 WeakPolarHBondContact CD2-O 3.34Å; Y125-E184 HydrophobicContact CE2-CB 4.01Å; Y125-E184 HydrophobicContact CE2-CG 4.31Å; Y125-E184 PolarHBondContact N-O 3.02Å; T182-E184 HydrophobicContact CG2-CG 4.07Å; T182-E184 WeakPolarHBondContact O-CG 3.5Å; T182-E184 PolarHBondContact O-N 2.82Å; E184-R327 PolarHBondContact N-O 2.8Å; E184-V329 HydrophobicContact CB-CB 4.37Å; E184-V329 HydrophobicContact CB-CG2 4.21Å; E184-V329 WeakPolarHBondContact OE2-CA 3.49Å; E184-V329 PolarHBondContact OE2-N 2.89Å; E184-M330 PolarHBondContact OE2-N 2.98Å
185A98.5Very high95.9Very high0 Ų041.8 Ų41.80%021%0.207CC..EExtended strand (participates in β ladder)trans-139.3148.4175.100000111.9L123 Y125 Y134 F142 I326 R327 V329L123-A185 WeakPolarHBondContact O-CA 3.34Å; Y125-A185 WeakPolarHBondContact O-CB 3.47Å; Y134-A185 HydrophobicContact CD1-CB 4.5Å; Y134-A185 HydrophobicContact CE1-CB 3.8Å; F142-A185 VanDerWaalsContact CE2-C 3.49Å; A185-I326 WeakPolarHBondContact O-CA 3.36Å; A185-R327 HydrophobicContact CB-CG 3.66Å; A185-R327 PolarHBondContact N-O 3.48Å; A185-R327 WeakPolarHBondContact O-CG 3.36Å; A185-R327 PolarHBondContact O-N 3.14Å; A185-V329 HydrophobicContact CB-CG2 3.56Å
186S98.6Very high95.9Very high1 Ų141.9 Ų41.91%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-136.9135.9170.3-179.60000110.9T122 L123 N325T122-S186 VanDerWaalsContact CA-O 3.26Å; T122-S186 WeakPolarHBondContact CA-O 3.48Å; L123-S186 PolarHBondContact N-O 3.23Å; L123-S186 PolarHBondContact O-N 2.86Å; S186-N325 CarbonylContact C-O 3.59Å; S186-N325 VanDerWaalsContact CA-O 3.23Å; S186-N325 WeakPolarHBondContact CA-O 3.35Å
187I98.3Very high95.9Very high9 Ų940.1 Ų40.15%0.04620%0.201CC..EExtended strand (participates in β ladder)trans-107.5112.1165.1-52.4-175.8000107.9W120 T122 Y127 W129 N325W120-I187 HydrophobicContact CB-CG2 4.46Å; T122-I187 HydrophobicContact CG2-CG1 4.24Å; Y127-I187 HydrophobicContact CD1-CD1 4.28Å; Y127-I187 HydrophobicContact CG-CD1 4.23Å; W129-I187 HydrophobicContact CH2-CD1 4.48Å; I187-N325 PolarHBondContact N-O 2.86Å; I187-N325 PolarHBondContact O-N 3.4Å; I187-N325 PolarHBondContact O-ND2 2.84Å
188V98.3Very high96Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-96.4109.9177.2-173.30000108.4W88 W120 I121 L123 Y190 I322 N323 M324W88-V188 HydrophobicContact CE3-CB 4.46Å; W88-V188 HydrophobicContact CE3-CG1 4.23Å; W88-V188 HydrophobicContact CE3-CG2 3.69Å; W88-V188 HydrophobicContact CZ3-CB 4.47Å; W88-V188 HydrophobicContact CZ3-CG1 4.08Å; W88-V188 HydrophobicContact CZ3-CG2 3.59Å; W120-V188 CarbonylContact C-O 3.49Å; W120-V188 WeakPolarHBondContact CA-O 3.47Å; I121-V188 HydrophobicContact CB-CB 4.35Å; I121-V188 PolarHBondContact N-O 3.35Å; I121-V188 PolarHBondContact O-N 3.44Å; L123-V188 HydrophobicContact CD1-CG2 3.89Å; V188-Y190 HydrophobicContact CB-CE2 4.26Å; V188-Y190 HydrophobicContact CG1-CE2 3.72Å; V188-I322 HydrophobicContact CG1-CG2 3.79Å; V188-N323 CarbonylContact C-O 3.58Å; V188-N323 VanDerWaalsContact CA-O 3.3Å; V188-N323 WeakPolarHBondContact CA-O 3.4Å; V188-M324 HydrophobicContact CG1-CG 4.14Å; V188-M324 HydrophobicContact CG2-CG 4.23Å
189N97.9Very high96Very high16 Ų1642.3 Ų42.39%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-98.9137.1-178.4-67.9-58.3000111.4R119 Y191 I322 N323 N325R119-N189 WeakPolarHBondContact O-CA 3.29Å; N189-Y191 HydrophobicContact CB-CD2 4.05Å; N189-Y191 HydrophobicContact CB-CE2 3.43Å; N189-Y191 VanDerWaalsContact CB-CE2 3.43Å; N189-I322 WeakPolarHBondContact O-CA 3.45Å; N189-N323 HydrophobicContact CB-CB 4.5Å; N189-N323 PolarHBondContact N-O 2.96Å; N189-N323 PolarHBondContact O-N 3.29Å; N189-N325 PolarHBondContact ND2-ND2 2.83Å
190Y97.1Very high96Very high2 Ų238.4 Ų38.41%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-113.796.7178.3-60.2-102.7000108.9A84 L85 L118 R119 I121 V188 T320 I322A84-Y190 PolarHBondContact O-OH 2.93Å; L85-Y190 HydrophobicContact CD2-CE1 4.38Å; L118-Y190 HydrophobicContact CD2-CD1 3.94Å; L118-Y190 HydrophobicContact CD2-CD2 3.78Å; L118-Y190 HydrophobicContact CD2-CE1 3.71Å; L118-Y190 HydrophobicContact CD2-CE2 3.56Å; L118-Y190 HydrophobicContact CD2-CG 3.97Å; L118-Y190 HydrophobicContact CG-CD2 3.83Å; L118-Y190 HydrophobicContact CG-CE2 4Å; L118-Y190 HydrophobicContact CG-CG 4.17Å; R119-Y190 PolarHBondContact O-N 3.22Å; I121-Y190 HydrophobicContact CD1-CE2 4.13Å; I121-Y190 WeakPolarHBondContact CD1-OH 3.21Å; I121-Y190 HydrophobicContact CG1-CE2 3.96Å; V188-Y190 HydrophobicContact CB-CE2 4.26Å; V188-Y190 HydrophobicContact CG1-CE2 3.72Å; Y190-T320 HydrophobicContact CD1-CG2 4.25Å; Y190-I322 HydrophobicContact CD1-CD1 4.04Å; Y190-I322 HydrophobicContact CD1-CG1 3.91Å; Y190-I322 HydrophobicContact CE1-CD1 3.78Å; Y190-I322 HydrophobicContact CE1-CG1 4.1Å
191Y96.9Very high96Very high10 Ų1037 Ų374%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-88124.8178.9-64.5-93.8000110.2N189 T195 M197 V270 I273 T320 R321 N323N189-Y191 HydrophobicContact CB-CD2 4.05Å; N189-Y191 HydrophobicContact CB-CE2 3.43Å; N189-Y191 VanDerWaalsContact CB-CE2 3.43Å; Y191-T195 HydrophobicContact CD1-CG2 3.65Å; Y191-T195 HydrophobicContact CE1-CG2 4.29Å; Y191-T195 HydrophobicContact CG-CG2 4.38Å; Y191-M197 HydrophobicContact CE1-CB 4.24Å; Y191-V270 HydrophobicContact CE1-CB 4.46Å; Y191-V270 HydrophobicContact CE1-CG1 4.43Å; Y191-I273 HydrophobicContact CD1-CD1 4.36Å; Y191-I273 HydrophobicContact CG-CD1 4.31Å; Y191-T320 CarbonylContact O-C 3.58Å; Y191-T320 WeakPolarHBondContact O-CA 3.13Å; Y191-R321 PolarHBondContact N-O 3.29Å; Y191-R321 PolarHBondContact O-N 2.64Å; Y191-N323 HydrophobicContact CD2-CB 4.44Å; Y191-N323 HydrophobicContact CE2-CB 3.96Å
192R92.7Very high96Very high45 Ų4537.1 Ų37.117%0.1720%0.198CC..  trans-123.5-174.9172-59.8-164-45.8-124.20.8110.7Y115 S116 R119 K194 T195 F275 T320Y115-R192 PolarHBondContact O-NH1 3.14Å; S116-R192 PolarHBondContact O-NH1 3.01Å; S116-R192 PolarHBondContact O-NH2 2.87Å; R119-R192 VanDerWaalsContact NH1-CZ 3.33Å; R192-K194 PolarHBondContact O-N 2.93Å; R192-T195 PolarHBondContact N-OG1 2.68Å; R192-T195 VanDerWaalsContact N-OG1 3.14Å; R192-T195 WeakPolarHBondContact O-CB 3.38Å; R192-T195 PolarHBondContact O-N 2.88Å; R192-T195 PolarHBondContact O-OG1 3.04Å; R192-F275 VanDerWaalsContact C-CZ 3.47Å; R192-T320 HydrophobicContact CG-CG2 4.1Å
193T87.3Confident95.9Very high97 Ų9737.9 Ų37.960%0.59520%0.2SC*.THydrogen-bonded Turntrans-44.8127.1179.3-37.30000111.6T195T193-T195 PolarHBondContact O-N 2.79Å
194K86.7Confident95.8Very high195 Ų19538.4 Ų38.485%0.84820%0.204SC*.THydrogen-bonded Turntrans700.5-178.7-46.6177.9-178.6177.20116.4R192R192-K194 PolarHBondContact O-N 2.93Å
195T93.6Very high95.7Very high38 Ų3836.5 Ų36.523%0.23320%0.195CC..  trans-73.4131.8174.2-47.10000108.9Y191 R192 T193Y191-T195 HydrophobicContact CD1-CG2 3.65Å; Y191-T195 HydrophobicContact CE1-CG2 4.29Å; Y191-T195 HydrophobicContact CG-CG2 4.38Å; R192-T195 PolarHBondContact N-OG1 2.68Å; R192-T195 VanDerWaalsContact N-OG1 3.14Å; R192-T195 WeakPolarHBondContact O-CB 3.38Å; R192-T195 PolarHBondContact O-N 2.88Å; R192-T195 PolarHBondContact O-OG1 3.04Å; T193-T195 PolarHBondContact O-N 2.79Å
196T96.6Very high95.5Very high43 Ų4340.7 Ų40.726%0.26422%0.221SC..  trans-139.5153.3178.563.40000109.2K20 V270 P271K20-T196 HydrophobicContact CD-CG2 4.27Å; T196-V270 CarbonylContact C-O 3.48Å; T196-V270 VanDerWaalsContact CA-O 3.32Å; T196-V270 WeakPolarHBondContact CA-O 3.45Å; T196-V270 WeakPolarHBondContact CB-O 3.45Å; T196-P271 WeakPolarHBondContact CG2-O 3.21Å
197M96.9Very high95.4Very high53 Ų5341.8 Ų41.826%0.26123%0.227SC..EExtended strand (participates in β ladder)trans-116.1121171.1-168.564.976.500109.1F16 Y191 H200 A269 V270F16-M197 WeakPolarHBondContact CE2-O 3.46Å; Y191-M197 HydrophobicContact CE1-CB 4.24Å; M197-H200 WeakPolarHBondContact CG-CE1 3.26Å; M197-A269 WeakPolarHBondContact O-CA 2.8Å; M197-A269 WeakPolarHBondContact O-CB 3.2Å; M197-V270 HydrophobicContact CB-CB 4.04Å; M197-V270 HydrophobicContact CB-CG2 4.4Å; M197-V270 PolarHBondContact N-O 3.09Å; M197-V270 CarbonylContact O-C 3.47Å; M197-V270 PolarHBondContact O-N 3.01Å
198G96.7Very high95.3Very high33 Ų3345.6 Ų45.634%0.3424%0.243SC..EExtended strand (participates in β ladder)trans-69.4173.3176.400000112.5H200G198-H200 PolarHBondContact O-N 2.83Å; G198-H200 PolarHBondContact O-ND1 2.75Å
199F97.2Very high95.1Very high40 Ų4049.8 Ų49.818%0.17526%0.262CS..EExtended strand (participates in β ladder)trans-60.2129.3173.1-82.3-77.5000111.2L12 V15 F16 L224 V246 R267 H268 A269L12-F199 HydrophobicContact CB-CB 4.31Å; L12-F199 HydrophobicContact CB-CD2 3.76Å; L12-F199 HydrophobicContact CB-CE2 4.25Å; L12-F199 HydrophobicContact CB-CG 4.05Å; L12-F199 HydrophobicContact CD1-CB 4.2Å; L12-F199 HydrophobicContact CD1-CD1 4.32Å; L12-F199 HydrophobicContact CD1-CG 4.16Å; L12-F199 HydrophobicContact CD2-CD1 4.18Å; L12-F199 HydrophobicContact CD2-CD2 4.19Å; L12-F199 HydrophobicContact CD2-CE1 4.05Å; L12-F199 HydrophobicContact CD2-CE2 4.05Å; L12-F199 HydrophobicContact CD2-CG 4.25Å; L12-F199 HydrophobicContact CD2-CZ 3.98Å; L12-F199 HydrophobicContact CG-CD2 4.42Å; L12-F199 HydrophobicContact CG-CG 4.39Å; L12-F199 WeakPolarHBondContact O-CD2 3.41Å; L12-F199 WeakPolarHBondContact O-CE2 3.47Å; V15-F199 HydrophobicContact CB-CE2 4.35Å; V15-F199 HydrophobicContact CG1-CE2 4.44Å; F16-F199 HydrophobicContact CB-CD2 4.02Å; F16-F199 HydrophobicContact CB-CE2 4.05Å; F199-L224 HydrophobicContact CE1-CB 3.98Å; F199-L224 HydrophobicContact CE2-CD1 3.9Å; F199-L224 HydrophobicContact CZ-CB 3.64Å; F199-L224 HydrophobicContact CZ-CD1 3.73Å; F199-L224 HydrophobicContact CZ-CG 4.36Å; F199-V246 HydrophobicContact CZ-CG1 4.02Å; F199-V246 HydrophobicContact CZ-CG2 4.13Å; F199-R267 HydrophobicContact CD1-CB 4.11Å; F199-H268 VanDerWaalsContact CA-O 3.27Å; F199-H268 WeakPolarHBondContact CA-O 3.33Å; F199-A269 HydrophobicContact CB-CB 4.47Å; F199-A269 HydrophobicContact CD1-CB 3.89Å; F199-A269 HydrophobicContact CD2-CB 3.9Å; F199-A269 HydrophobicContact CE1-CB 4.04Å; F199-A269 HydrophobicContact CE2-CB 4.06Å; F199-A269 HydrophobicContact CG-CB 3.82Å; F199-A269 HydrophobicContact CZ-CB 4.13Å
200H95.9Very high95.1Very high57 Ų5749.1 Ų49.126%0.26426%0.259SS..EExtended strand (participates in β ladder)trans-154.9163.1175.763.9-63.7000110.1M197 G198 R267 H268M197-H200 WeakPolarHBondContact CG-CE1 3.26Å; G198-H200 PolarHBondContact O-N 2.83Å; G198-H200 PolarHBondContact O-ND1 2.75Å; H200-R267 CarbonylContact O-C 3.51Å; H200-R267 VanDerWaalsContact O-CA 3.27Å; H200-R267 WeakPolarHBondContact O-CA 3.36Å; H200-H268 AromaticContact CE1-CD2 3.66Å; H200-H268 AromaticContact CE1-NE2 3.38Å; H200-H268 PolarHBondContact CE1-NE2 3.33Å; H200-H268 PolarHBondContact N-O 3.44Å; H200-H268 VanDerWaalsContact N-O 3.07Å; H200-H268 PolarHBondContact ND1-O 2.98Å; H200-H268 VanDerWaalsContact ND1-O 3.13Å; H200-H268 AromaticContact NE2-CE1 3.98Å; H200-H268 AromaticContact NE2-NE2 3.38Å; H200-H268 PolarHBondContact NE2-NE2 3.44Å; H200-H268 PolarHBondContact O-N 3.39Å; H200-H268 PolarHBondContact O-ND1 3.28Å
201S96.3Very high95.1Very high27 Ų2749 Ų4919%0.18926%0.259CS..  trans-111.9143.3166.7-64.10000109D203 L265 R267S201-D203 PolarHBondContact O-N 3.4Å; S201-L265 PolarHBondContact OG-O 2.76Å; S201-R267 VanDerWaalsContact OG-CG 3.29Å; S201-R267 WeakPolarHBondContact OG-CG 3.33Å
202D96.2Very high95.2Very high19 Ų1948.6 Ų48.610%0.10226%0.257CS..  trans-85.887.5168.8-79.6-62.7000108.8L212 R264 H268 R327D202-L212 HydrophobicContact CB-CD1 3.6Å; D202-L212 WeakPolarHBondContact OD2-CD1 3.38Å; D202-R264 PolarHBondContact O-NH1 3.5Å; D202-H268 IonicContact OD2-CE1 3.4Å; D202-H268 PolarHBondContact OD2-CE1 3.39Å; D202-H268 IonicContact OD2-NE2 3.05Å; D202-R327 IonicContact OD1-CZ 3Å; D202-R327 IonicContact OD1-NH1 3.69Å; D202-R327 PolarHBondContact OD1-NH1 3.48Å; D202-R327 IonicContact OD1-NH2 3.68Å; D202-R327 PolarHBondContact OD1-NH2 3.44Å
203D96.1Very high95.5Very high65 Ų6546.5 Ų46.535%0.34825%0.249SC..  trans-119.510.8-173.162.8-6.8000113.9R132 S201 K208 L265R132-D203 IonicContact NH2-OD1 2.72Å; R132-D203 PolarHBondContact NH2-OD1 3.01Å; S201-D203 PolarHBondContact O-N 3.4Å; D203-K208 WeakPolarHBondContact O-CE 3.35Å; D203-K208 PolarHBondContact O-NZ 2.94Å; D203-K208 VanDerWaalsContact O-NZ 3.1Å; D203-L265 HydrophobicContact CB-CD2 4.15Å
204A96.1Very high96Very high15 Ų1542.3 Ų42.312%0.12422%0.224CC..  trans-83-18.5-173.400000114.1Y127 R132 Y134Y127-A204 HydrophobicContact CD2-CB 3.92Å; Y127-A204 HydrophobicContact CE2-CB 3.35Å; R132-A204 WeakPolarHBondContact O-CB 3.3Å; Y134-A204 HydrophobicContact CD2-CB 4.16Å; Y134-A204 HydrophobicContact CE2-CB 4.03Å
205E96.2Very high96.6Very high1 Ų133 Ų331%0.00518%0.184CC..SBendtrans-67.6148.6177-55.274.1-148.500110Y134 D207 K208 R264 R327 Q328Y134-E205 HydrophobicContact CD2-CG 4.33Å; Y134-E205 HydrophobicContact CE2-CG 4.07Å; E205-D207 WeakPolarHBondContact CB-O 3.46Å; E205-K208 WeakPolarHBondContact O-CG 3.14Å; E205-K208 PolarHBondContact O-NZ 3.12Å; E205-R264 VanDerWaalsContact CD-NH2 3.3Å; E205-R264 IonicContact OE2-CZ 2.81Å; E205-R264 IonicContact OE2-NH1 3.06Å; E205-R264 IonicContact OE2-NH2 3.36Å; E205-R264 PolarHBondContact OE2-NH2 2.95Å; E205-R327 HydrophobicContact CG-CB 4.2Å; E205-R327 HydrophobicContact CG-CG 4.22Å; E205-R327 WeakPolarHBondContact OE1-CD 3.41Å; E205-R327 IonicContact OE1-CZ 3.26Å; E205-R327 IonicContact OE1-NE 3.24Å; E205-R327 PolarHBondContact OE1-NE 3.42Å; E205-R327 IonicContact OE1-NH1 2.75Å; E205-R327 PolarHBondContact OE1-NH1 2.95Å; E205-Q328 WeakPolarHBondContact CG-O 3.44Å
206V95.1Very high96.8Very high89 Ų8931.2 Ų31.254%0.53917%0.172SC..SBendtrans-68.5-45.3169.2-176.20000108.2K208 V329 M330 P331V206-K208 PolarHBondContact O-N 3.37Å; V206-V329 WeakPolarHBondContact CA-O 3.34Å; V206-V329 WeakPolarHBondContact CB-O 3.28Å; V206-V329 PolarHBondContact N-O 3.29Å; V206-M330 HydrophobicContact CB-SD 4.19Å; V206-M330 HydrophobicContact CG2-SD 3.79Å; V206-P331 HydrophobicContact CG1-CG 4.42Å
207D95.1Very high96.7Very high23 Ų2329.1 Ų29.112%0.12316%0.16CC..  trans-83.195.1170.1-166.3-19.8000111.5E205 E209 A210 Q328 V329 P331E205-D207 WeakPolarHBondContact CB-O 3.46Å; D207-E209 WeakPolarHBondContact OD1-CA 3.49Å; D207-E209 WeakPolarHBondContact OD1-CB 3.29Å; D207-E209 PolarHBondContact OD1-N 3.29Å; D207-A210 PolarHBondContact OD1-N 2.97Å; D207-Q328 PolarHBondContact OD2-NE2 3.25Å; D207-V329 PolarHBondContact N-O 2.6Å; D207-P331 HydrophobicContact CB-CB 4.47Å
208K95.5Very high96.6Very high89 Ų8926.6 Ų26.639%0.38715%0.147SC..SBendtrans-85.33.5175.9-66.8176.7176.152.60113.3D203 E205 V206 R264 L265D203-K208 WeakPolarHBondContact O-CE 3.35Å; D203-K208 PolarHBondContact O-NZ 2.94Å; D203-K208 VanDerWaalsContact O-NZ 3.1Å; E205-K208 WeakPolarHBondContact O-CG 3.14Å; E205-K208 PolarHBondContact O-NZ 3.12Å; V206-K208 PolarHBondContact O-N 3.37Å; K208-R264 WeakPolarHBondContact O-CG 3.37Å; K208-L265 HydrophobicContact CB-CD1 4.49Å; K208-L265 HydrophobicContact CB-CD2 4.24Å; K208-L265 HydrophobicContact CD-CD2 4.48Å; K208-L265 HydrophobicContact CG-CD2 4.41Å
209E95.3Very high96.6Very high88 Ų8825.3 Ų25.341%0.41113%0.133SC..SBendtrans-107.4-33.9-172.8-88.6-165.8105.800111.9R173 Q177 D207R173-E209 IonicContact CZ-OE1 3.35Å; R173-E209 IonicContact CZ-OE2 3.64Å; R173-E209 IonicContact NE-OE1 3.73Å; R173-E209 PolarHBondContact NE-OE1 2.93Å; R173-E209 IonicContact NE-OE2 3.44Å; R173-E209 IonicContact NH2-OE1 3.03Å; R173-E209 PolarHBondContact NH2-OE1 2.92Å; R173-E209 IonicContact NH2-OE2 2.63Å; R173-E209 PolarHBondContact NH2-OE2 3.06Å; Q177-E209 VanDerWaalsContact NE2-CB 3.31Å; Q177-E209 PolarHBondContact NE2-O 2.94Å; Q177-E209 VanDerWaalsContact NE2-O 3.14Å; Q177-E209 PolarHBondContact OE1-O 3.42Å; D207-E209 WeakPolarHBondContact OD1-CA 3.49Å; D207-E209 WeakPolarHBondContact OD1-CB 3.29Å; D207-E209 PolarHBondContact OD1-N 3.29Å
210A97.1Very high96.5Very high2 Ų223.6 Ų23.62%0.01713%0.126CC..SBendtrans-57.1136.617300000112Y181 D207 R264 Q328Y181-A210 HydrophobicContact CD2-CB 4.12Å; Y181-A210 HydrophobicContact CE2-CB 4.17Å; D207-A210 PolarHBondContact OD1-N 2.97Å; A210-R264 VanDerWaalsContact O-CD 3.22Å; A210-R264 WeakPolarHBondContact O-CD 3.49Å; A210-R264 PolarHBondContact O-NE 3.5Å; A210-Q328 HydrophobicContact CB-CB 3.68Å; A210-Q328 HydrophobicContact CB-CG 4.32Å
211P98.1Very high96.6Very high0 Ų020.9 Ų20.90%011%0.113CC..PPolyproline II helixtrans-55.2142.3-178.8-28.633.2000114.9I154 L174 Y181 I258 A260I154-P211 HydrophobicContact CD1-CB 3.99Å; I154-P211 HydrophobicContact CD1-CG 4.32Å; L174-P211 HydrophobicContact CD1-CG 4.06Å; Y181-P211 HydrophobicContact CE2-CB 4.43Å; Y181-P211 WeakPolarHBondContact CE2-O 3.3Å; Y181-P211 PolarHBondContact OH-O 3.06Å; Y181-P211 VanDerWaalsContact OH-O 3.12Å; P211-I258 HydrophobicContact CB-CG2 3.86Å; P211-A260 HydrophobicContact CB-CB 4.18Å; P211-A260 HydrophobicContact CG-CB 4.1Å
212L98.6Very high96.7Very high2 Ų219.6 Ų19.61%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-93.5128.1167-177.4149.8000109.3D202 I258 M259D202-L212 HydrophobicContact CB-CD1 3.6Å; D202-L212 WeakPolarHBondContact OD2-CD1 3.38Å; L212-I258 CarbonylContact O-C 3.56Å; L212-I258 VanDerWaalsContact O-CA 3.31Å; L212-I258 WeakPolarHBondContact O-CA 3.24Å; L212-M259 HydrophobicContact CB-CB 4.34Å; L212-M259 HydrophobicContact CD2-SD 4.39Å; L212-M259 PolarHBondContact N-O 3.1Å; L212-M259 PolarHBondContact O-N 3.13Å
213V98.8Very high96.8Very high0 Ų019.3 Ų19.30%010%0.102CC..EExtended strand (participates in β ladder)trans-109.2127.7178.2179.10000109.3T150 I153 I154 I215 V256 V257 I258 N325 I326T150-V213 HydrophobicContact CG2-CB 4.18Å; T150-V213 HydrophobicContact CG2-CG1 4.39Å; T150-V213 HydrophobicContact CG2-CG2 4.02Å; I153-V213 HydrophobicContact CD1-CG1 3.96Å; I153-V213 HydrophobicContact CG2-CG1 4.07Å; I153-V213 HydrophobicContact CG2-CG2 4.43Å; I154-V213 HydrophobicContact CD1-CG2 3.67Å; I154-V213 HydrophobicContact CG1-CG2 4.19Å; V213-I215 HydrophobicContact CG1-CG1 4.3Å; V213-V256 HydrophobicContact CG1-CG1 3.87Å; V213-V257 CarbonylContact C-O 3.53Å; V213-V257 WeakPolarHBondContact CA-O 3.26Å; V213-I258 HydrophobicContact CG2-CG1 4.48Å; V213-I258 HydrophobicContact CG2-CG2 4.45Å; V213-N325 CarbonylContact O-C 3.54Å; V213-N325 WeakPolarHBondContact O-CA 3.47Å; V213-I326 HydrophobicContact CB-CB 4.41Å; V213-I326 HydrophobicContact CG1-CD1 4.38Å; V213-I326 PolarHBondContact N-O 3.01Å; V213-I326 PolarHBondContact O-N 2.58Å
214S98.8Very high96.8Very high9 Ų916.2 Ų16.26%0.0639%0.085CC..EExtended strand (participates in β ladder)trans-124.3113.7179.4160.60000110.7V256 V257 N323 M324 N325S214-V256 CarbonylContact O-C 3.59Å; S214-V256 WeakPolarHBondContact O-CA 3.39Å; S214-V257 PolarHBondContact N-O 3.36Å; S214-V257 PolarHBondContact O-N 3.06Å; S214-N323 PolarHBondContact OG-ND2 3.41Å; S214-M324 CarbonylContact C-O 3.58Å; S214-M324 VanDerWaalsContact CA-O 3.28Å; S214-M324 WeakPolarHBondContact CA-O 3.32Å; S214-N325 WeakPolarHBondContact CB-OD1 3.16Å; S214-N325 PolarHBondContact OG-OD1 2.93Å
215I98.6Very high96.9Very high0 Ų015.5 Ų15.50%08%0.08CC..EExtended strand (participates in β ladder)trans-99.7137.6179.4-55.3170.4000109.5F72 L146 T149 I153 V213 F217 V256 N323 M324 I326F72-I215 HydrophobicContact CE2-CG2 3.76Å; F72-I215 HydrophobicContact CZ-CD1 4.07Å; F72-I215 HydrophobicContact CZ-CG1 4.33Å; F72-I215 HydrophobicContact CZ-CG2 4.14Å; L146-I215 HydrophobicContact CD1-CD1 4.29Å; T149-I215 HydrophobicContact CG2-CD1 4.09Å; I153-I215 HydrophobicContact CD1-CD1 3.92Å; I153-I215 HydrophobicContact CD1-CG1 4.19Å; V213-I215 HydrophobicContact CG1-CG1 4.3Å; I215-F217 HydrophobicContact CG2-CD1 4.44Å; I215-F217 HydrophobicContact CG2-CE1 3.65Å; I215-F217 HydrophobicContact CG2-CE2 3.85Å; I215-F217 HydrophobicContact CG2-CZ 3.31Å; I215-V256 HydrophobicContact CG1-CG2 4.34Å; I215-N323 CarbonylContact O-C 3.46Å; I215-N323 VanDerWaalsContact O-CA 3.24Å; I215-N323 WeakPolarHBondContact O-CA 3.33Å; I215-N323 PolarHBondContact O-ND2 2.93Å; I215-N323 VanDerWaalsContact O-ND2 3.14Å; I215-M324 HydrophobicContact CB-CB 4.34Å; I215-M324 PolarHBondContact N-O 3.12Å; I215-M324 PolarHBondContact O-N 3.06Å; I215-I326 HydrophobicContact CD1-CD1 3.91Å; I215-I326 HydrophobicContact CG1-CD1 4.17Å
216S97.8Very high96.9Very high0 Ų016.9 Ų16.90%09%0.086CC..EExtended strand (participates in β ladder)trans-120.4127.2-175.1-61.50000113.4H252 G254 D255 R321S216-H252 WeakPolarHBondContact CB-O 3.44Å; S216-G254 PolarHBondContact O-N 3.24Å; S216-D255 WeakPolarHBondContact CB-O 3.31Å; S216-D255 PolarHBondContact N-O 2.59Å; S216-R321 PolarHBondContact OG-NH2 3.46Å
217F95.3Very high96.8Very high0 Ų013 Ų130%06%0.063CC..EExtended strand (participates in β ladder)trans-129.1154.5174.1-55.1-47.2000113.2I77 L80 W81 I215 R321 I322 M324I77-F217 HydrophobicContact CB-CE1 4.28Å; I77-F217 HydrophobicContact CG1-CE1 4.08Å; I77-F217 HydrophobicContact CG2-CD1 3.86Å; I77-F217 HydrophobicContact CG2-CE1 3.87Å; L80-F217 HydrophobicContact CB-CE2 3.59Å; L80-F217 HydrophobicContact CB-CZ 3.73Å; L80-F217 HydrophobicContact CD1-CE2 4.39Å; L80-F217 HydrophobicContact CD1-CZ 3.81Å; L80-F217 HydrophobicContact CG-CZ 4.42Å; W81-F217 HydrophobicContact CB-CD2 4.45Å; W81-F217 HydrophobicContact CD2-CB 4.37Å; I215-F217 HydrophobicContact CG2-CD1 4.44Å; I215-F217 HydrophobicContact CG2-CE1 3.65Å; I215-F217 HydrophobicContact CG2-CE2 3.85Å; I215-F217 HydrophobicContact CG2-CZ 3.31Å; F217-R321 WeakPolarHBondContact O-CA 3.44Å; F217-R321 WeakPolarHBondContact O-CG 3.3Å; F217-I322 PolarHBondContact N-O 3.39Å; F217-I322 PolarHBondContact O-N 3.05Å; F217-M324 HydrophobicContact CD2-CE 3.67Å; F217-M324 HydrophobicContact CE2-CE 3.39Å; F217-M324 HydrophobicContact CE2-SD 3.88Å
218G94.9Very high96.7Very high0 Ų014.9 Ų14.90%08%0.077CC..SBendtrans78.5-149.1-177.200000113.8H253G218-H253 PolarHBondContact N-ND1 3.06Å; G218-H253 VanDerWaalsContact N-ND1 3.12Å
219P95.2Very high96.4Very high6 Ų615.7 Ų15.74%0.0398%0.083CC..SBendtrans-54.9145.8-175-29.136.6000114.7I273 F275 R318 T320 R321P219-I273 HydrophobicContact CB-CG2 3.79Å; P219-F275 HydrophobicContact CB-CD1 3.97Å; P219-F275 HydrophobicContact CB-CE1 4.21Å; P219-F275 HydrophobicContact CG-CD1 3.58Å; P219-F275 HydrophobicContact CG-CE1 3.83Å; P219-R318 VanDerWaalsContact CG-O 3.29Å; P219-R318 WeakPolarHBondContact CG-O 3.42Å; P219-T320 WeakPolarHBondContact CD-O 3.38Å; P219-R321 WeakPolarHBondContact O-CD 3.47Å; P219-R321 PolarHBondContact O-NH1 2.85Å
220T96.5Very high96Very high4 Ų414.1 Ų14.13%0.0259%0.085CC..EExtended strand (participates in β ladder)trans-59.2139.9177.1-60.80000111.1Y250 L251 H252 F274 D277T220-Y250 HydrophobicContact CG2-CD1 3.7Å; T220-Y250 HydrophobicContact CG2-CG 4.46Å; T220-L251 WeakPolarHBondContact CA-O 3.37Å; T220-H252 WeakPolarHBondContact CG2-ND1 3.4Å; T220-H252 PolarHBondContact OG1-ND1 2.81Å; T220-F274 HydrophobicContact CG2-CD2 4.11Å; T220-F274 PolarHBondContact O-N 3.39Å; T220-D277 VanDerWaalsContact CB-OD2 3.24Å; T220-D277 WeakPolarHBondContact CB-OD2 3.21Å; T220-D277 PolarHBondContact OG1-OD2 3.25Å
221A97.6Very high95.3Very high0 Ų014.8 Ų14.80%09%0.088CC..EExtended strand (participates in β ladder)trans-113.1152.6170.300000111.3Y250 L251 V270 I273A221-Y250 WeakPolarHBondContact O-CA 3.44Å; A221-L251 PolarHBondContact N-O 3.45Å; A221-L251 PolarHBondContact O-N 2.96Å; A221-V270 HydrophobicContact CB-CG1 4.04Å; A221-I273 HydrophobicContact CB-CD1 3.59Å
222L97.8Very high94.1Very high0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-88.9119.3156.7-162.768.5000108.3Y19 Y24 I32 L224 P248 Y250 V270 P271 V272 F274Y19-L222 HydrophobicContact CD1-CD2 3.58Å; Y19-L222 HydrophobicContact CE1-CD2 4.23Å; Y19-L222 HydrophobicContact CG-CD2 4.1Å; Y24-L222 HydrophobicContact CE1-CD2 4.01Å; Y24-L222 WeakPolarHBondContact OH-CD2 3.36Å; I32-L222 HydrophobicContact CG2-CD1 4.27Å; L222-L224 HydrophobicContact CD2-CD2 4.1Å; L222-L224 HydrophobicContact CG-CD2 4.22Å; L222-P248 HydrophobicContact CD1-CB 4.03Å; L222-P248 HydrophobicContact CD2-CB 4.36Å; L222-P248 HydrophobicContact CG-CB 4.38Å; L222-Y250 HydrophobicContact CD1-CD1 4.18Å; L222-Y250 HydrophobicContact CD1-CD2 4.34Å; L222-Y250 HydrophobicContact CD1-CE1 4.04Å; L222-Y250 HydrophobicContact CD1-CE2 4.19Å; L222-Y250 HydrophobicContact CD1-CG 4.33Å; L222-V270 WeakPolarHBondContact O-CA 3.28Å; L222-P271 HydrophobicContact CB-CG 4.38Å; L222-P271 HydrophobicContact CD2-CG 4.25Å; L222-P271 VanDerWaalsContact O-CD 3.3Å; L222-P271 WeakPolarHBondContact O-CD 3.48Å; L222-V272 HydrophobicContact CB-CG1 3.57Å; L222-V272 HydrophobicContact CD2-CG1 4.31Å; L222-V272 PolarHBondContact N-O 3.37Å; L222-F274 HydrophobicContact CB-CE2 3.92Å; L222-F274 HydrophobicContact CB-CZ 4.32Å
223F98.4Very high92.4Very high12 Ų1227 Ų275%0.05314%0.142CC..EExtended strand (participates in β ladder)trans-100.8136.8170.3178.6-96.8000108.6F65 L225 P248 I249 L251 M259 H268 A269 V270F65-F223 AromaticContact CE2-CE1 3.94Å; F65-F223 HydrophobicContact CE2-CE1 3.94Å; F65-F223 HydrophobicContact CE2-CZ 4.45Å; F65-F223 HydrophobicContact CZ-CD1 4.47Å; F65-F223 AromaticContact CZ-CE1 3.92Å; F65-F223 HydrophobicContact CZ-CE1 3.92Å; F223-L225 HydrophobicContact CD1-CB 4.4Å; F223-L225 HydrophobicContact CE1-CB 3.9Å; F223-L225 HydrophobicContact CE1-CD1 4.25Å; F223-P248 CarbonylContact O-C 3.58Å; F223-P248 WeakPolarHBondContact O-CA 3.32Å; F223-I249 HydrophobicContact CB-CB 4.41Å; F223-I249 HydrophobicContact CD1-CB 4.37Å; F223-I249 HydrophobicContact CD1-CD1 4.08Å; F223-I249 HydrophobicContact CE1-CD1 4.49Å; F223-I249 PolarHBondContact N-O 3.1Å; F223-I249 PolarHBondContact O-N 2.82Å; F223-L251 HydrophobicContact CB-CD1 3.58Å; F223-L251 HydrophobicContact CB-CG 3.81Å; F223-L251 HydrophobicContact CD2-CD1 4.07Å; F223-L251 HydrophobicContact CG-CD1 3.88Å; F223-L251 HydrophobicContact CG-CG 4.49Å; F223-M259 HydrophobicContact CZ-SD 4.14Å; F223-H268 HydrophobicContact CE1-CB 4.19Å; F223-H268 HydrophobicContact CE2-CB 3.77Å; F223-H268 AromaticContact CE2-CD2 3.55Å; F223-H268 AromaticContact CE2-CG 3.89Å; F223-H268 HydrophobicContact CZ-CB 3.44Å; F223-H268 VanDerWaalsContact CZ-CB 3.44Å; F223-H268 AromaticContact CZ-CD2 3.93Å; F223-H268 AromaticContact CZ-CG 3.79Å; F223-A269 CarbonylContact C-O 3.6Å; F223-A269 WeakPolarHBondContact CA-O 3.45Å; F223-V270 HydrophobicContact CD2-CG2 4.23Å
224L97.2Very high90.4Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-110.2126.1174.4-55.6-176.9000108.1V15 Y19 F199 L222 V246 L247 P248 H268 A269 P271V15-L224 HydrophobicContact CG1-CD1 4.46Å; Y19-L224 HydrophobicContact CD1-CD2 4.23Å; Y19-L224 HydrophobicContact CD2-CD1 3.56Å; Y19-L224 HydrophobicContact CD2-CD2 3.62Å; Y19-L224 HydrophobicContact CD2-CG 4.26Å; Y19-L224 HydrophobicContact CE1-CD2 4.32Å; Y19-L224 HydrophobicContact CE2-CD1 4.17Å; Y19-L224 HydrophobicContact CE2-CD2 3.73Å; Y19-L224 HydrophobicContact CG-CD1 4.17Å; Y19-L224 HydrophobicContact CG-CD2 3.86Å; F199-L224 HydrophobicContact CE1-CB 3.98Å; F199-L224 HydrophobicContact CE2-CD1 3.9Å; F199-L224 HydrophobicContact CZ-CB 3.64Å; F199-L224 HydrophobicContact CZ-CD1 3.73Å; F199-L224 HydrophobicContact CZ-CG 4.36Å; L222-L224 HydrophobicContact CD2-CD2 4.1Å; L222-L224 HydrophobicContact CG-CD2 4.22Å; L224-V246 HydrophobicContact CB-CG1 3.89Å; L224-V246 HydrophobicContact CD1-CG1 4.42Å; L224-V246 HydrophobicContact CD2-CG1 4.31Å; L224-V246 HydrophobicContact CG-CG1 4.43Å; L224-L247 WeakPolarHBondContact CA-O 3.41Å; L224-P248 HydrophobicContact CD2-CB 3.9Å; L224-H268 CarbonylContact O-C 3.54Å; L224-H268 WeakPolarHBondContact O-CA 3.29Å; L224-H268 VanDerWaalsContact O-CB 3.23Å; L224-H268 WeakPolarHBondContact O-CB 3.34Å; L224-A269 HydrophobicContact CB-CB 4.24Å; L224-A269 HydrophobicContact CD1-CB 4.38Å; L224-A269 PolarHBondContact N-O 3.34Å; L224-A269 PolarHBondContact O-N 2.93Å; L224-P271 HydrophobicContact CD1-CG 3.86Å; L224-P271 HydrophobicContact CD2-CG 4.32Å; L224-P271 HydrophobicContact CG-CG 3.9Å
225L97.4Very high88.3Confident1 Ų138.2 Ų38.21%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-110.1127.6174-178.966.6000109.2I60 F65 F223 T227 V246 L247 I249 M259 A266I60-L225 HydrophobicContact CD1-CD2 4.1Å; F65-L225 HydrophobicContact CB-CD2 4.24Å; F65-L225 HydrophobicContact CD1-CD2 4.11Å; F65-L225 HydrophobicContact CD2-CD1 4.05Å; F65-L225 HydrophobicContact CD2-CD2 3.55Å; F65-L225 HydrophobicContact CD2-CG 4.44Å; F65-L225 HydrophobicContact CE1-CD2 4.36Å; F65-L225 HydrophobicContact CE2-CD1 4.02Å; F65-L225 HydrophobicContact CE2-CD2 3.82Å; F65-L225 HydrophobicContact CE2-CG 4.45Å; F65-L225 HydrophobicContact CG-CD2 3.7Å; F65-L225 HydrophobicContact CZ-CD2 4.22Å; F223-L225 HydrophobicContact CD1-CB 4.4Å; F223-L225 HydrophobicContact CE1-CB 3.9Å; F223-L225 HydrophobicContact CE1-CD1 4.25Å; L225-T227 HydrophobicContact CD2-CG2 4.35Å; L225-V246 CarbonylContact O-C 3.6Å; L225-V246 WeakPolarHBondContact O-CA 3.44Å; L225-L247 PolarHBondContact N-O 3.04Å; L225-L247 PolarHBondContact O-N 2.86Å; L225-I249 HydrophobicContact CB-CD1 4.11Å; L225-I249 HydrophobicContact CD2-CD1 4.44Å; L225-M259 HydrophobicContact CD1-CE 3.97Å; L225-A266 HydrophobicContact CD1-CB 3.71Å
226E95.5Very high85.9Confident30 Ų3047.1 Ų47.114%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-79.8124164.3-173.5-176.4-138.800110.3H245 A266 R267E226-H245 CarbonylContact C-O 3.53Å; E226-H245 VanDerWaalsContact CA-O 3.26Å; E226-H245 WeakPolarHBondContact CA-O 3.44Å; E226-A266 WeakPolarHBondContact O-CB 3.44Å; E226-R267 HydrophobicContact CB-CB 4.21Å; E226-R267 VanDerWaalsContact CB-O 3.26Å; E226-R267 WeakPolarHBondContact CB-O 3.35Å; E226-R267 VanDerWaalsContact CD-NH2 3.28Å; E226-R267 PolarHBondContact N-O 3.04Å; E226-R267 IonicContact OE1-CZ 3.86Å; E226-R267 IonicContact OE1-NE 2.92Å; E226-R267 IonicContact OE1-NH2 3.48Å; E226-R267 PolarHBondContact OE1-NH2 2.67Å; E226-R267 WeakPolarHBondContact OE2-CB 3.33Å; E226-R267 IonicContact OE2-CZ 2.84Å; E226-R267 VanDerWaalsContact OE2-CZ 3.3Å; E226-R267 IonicContact OE2-NE 3.41Å; E226-R267 PolarHBondContact OE2-NE 2.65Å; E226-R267 IonicContact OE2-NH2 3.3Å; E226-R267 PolarHBondContact OE2-NH2 3.32Å; E226-R267 VanDerWaalsContact OE2-NH2 3.1Å
227T94.3Very high83.6Confident7 Ų749.2 Ų49.24%0.04326%0.257CS..  trans-95.7147.6177.654.70000111.7E63 L225 E229 I231 H245 L247E63-T227 HydrophobicContact CG-CG2 4.3Å; L225-T227 HydrophobicContact CD2-CG2 4.35Å; T227-E229 WeakPolarHBondContact CB-O 3.48Å; T227-E229 PolarHBondContact O-N 3.15Å; T227-E229 PolarHBondContact OG1-O 3.37Å; T227-I231 HydrophobicContact CG2-CD1 3.71Å; T227-I231 HydrophobicContact CG2-CG1 4.26Å; T227-I231 WeakPolarHBondContact OG1-CD1 3.36Å; T227-I231 WeakPolarHBondContact OG1-CG1 3.45Å; T227-H245 PolarHBondContact N-O 3.02Å; T227-H245 PolarHBondContact O-ND1 2.59Å; T227-H245 PolarHBondContact OG1-O 2.82Å; T227-L247 HydrophobicContact CG2-CB 4.48Å
228S92.7Very high81.5Confident62 Ų6254.8 Ų54.843%0.43429%0.293SS..SBendtrans-65.9-27.317871.10000112.8E63 K262E63-S228 VanDerWaalsContact CD-OG 3.26Å; E63-S228 WeakPolarHBondContact OE1-CB 3.45Å; E63-S228 PolarHBondContact OE1-N 2.78Å; E63-S228 PolarHBondContact OE1-OG 3.27Å; E63-S228 WeakPolarHBondContact OE2-CB 3.13Å; E63-S228 PolarHBondContact OE2-N 3.04Å; E63-S228 PolarHBondContact OE2-OG 2.86Å; S228-K262 WeakPolarHBondContact OG-CD 3.39Å; S228-K262 PolarHBondContact OG-NZ 3.47Å
229E88.5Confident79.5Confident106 Ų10656.9 Ų56.950%0.49530%0.304SS..SBendtrans-115.4148.3177.7-65.7176.7-16500111.1T227 I231 K262T227-E229 WeakPolarHBondContact CB-O 3.48Å; T227-E229 PolarHBondContact O-N 3.15Å; T227-E229 PolarHBondContact OG1-O 3.37Å; E229-I231 PolarHBondContact O-N 2.84Å; E229-K262 IonicContact OE1-NZ 3.89Å
230A88.1Confident77.5Confident56 Ų5657.3 Ų57.346%0.46331%0.306SS..PPolyproline II helixtrans-65.5131.117500000110.3D244 H245A230-D244 CarbonylContact C-O 3.56Å; A230-D244 WeakPolarHBondContact CA-O 3.03Å; A230-D244 HydrophobicContact CB-CB 4.15Å; A230-H245 PolarHBondContact N-CE1 3.23Å
231I81.7Confident75.5Confident16 Ų1659 Ų598%0.08232%0.324CS..PPolyproline II helixtrans-91.9119.1179.6-47.8178.6000108.2Y35 I39 T227 E229 H233 D244 L247Y35-I231 HydrophobicContact CE2-CG2 4.25Å; Y35-I231 WeakPolarHBondContact OH-CB 3.43Å; Y35-I231 WeakPolarHBondContact OH-CG2 3.41Å; I39-I231 HydrophobicContact CD1-CG2 3.25Å; I39-I231 HydrophobicContact CG1-CG2 3.59Å; I39-I231 HydrophobicContact CG2-CG2 4.38Å; T227-I231 HydrophobicContact CG2-CD1 3.71Å; T227-I231 HydrophobicContact CG2-CG1 4.26Å; T227-I231 WeakPolarHBondContact OG1-CD1 3.36Å; T227-I231 WeakPolarHBondContact OG1-CG1 3.45Å; E229-I231 PolarHBondContact O-N 2.84Å; I231-H233 PolarHBondContact O-N 3.25Å; I231-D244 PolarHBondContact N-O 3.13Å; I231-L247 HydrophobicContact CD1-CB 3.66Å; I231-L247 HydrophobicContact CD1-CD1 4.11Å; I231-L247 HydrophobicContact CD1-CG 4.32Å
232K72Confident74Confident190 Ų19064.3 Ų64.383%0.82636%0.361SS*.PPolyproline II helixtrans-66.7126.6175.8-71.5-173.6179.3179.60110.3
233H63.5Low73.1Confident67 Ų6765.7 Ų65.731%0.3137%0.367SS..PPolyproline II helixtrans-79.2119.4170.9-65.5-75000109.2Y35 I231 F235 H240 F243Y35-H233 AromaticContact CE2-ND1 3.61Å; Y35-H233 AromaticContact CZ-CE1 3.69Å; Y35-H233 AromaticContact CZ-ND1 3.6Å; Y35-H233 PolarHBondContact OH-CE1 2.75Å; Y35-H233 VanDerWaalsContact OH-CE1 3.24Å; I231-H233 PolarHBondContact O-N 3.25Å; H233-F235 VanDerWaalsContact C-N 3.25Å; H233-H240 AromaticContact CE1-CD2 3.85Å; H233-H240 AromaticContact CE1-CG 3.89Å; H233-H240 AromaticContact ND1-CD2 3.82Å; H233-F243 PolarHBondContact NE2-O 2.9Å
234E56.9Low72.5Confident148 Ų14868.3 Ų68.369%0.69238%0.382SS*.SBendtrans-78.4-12172.4-74.8-170.6157.400112.8
235F53.7Low72.3Confident98 Ų9871.1 Ų71.143%0.4340%0.395SS..SBendtrans-108.2123.4-178.2-56.7-74.5000110.1H233 A237H233-F235 VanDerWaalsContact C-N 3.25Å; F235-A237 PolarHBondContact O-N 2.99Å
236D49.5Very low72.1Confident186 Ų18671 Ų71100%0.99539%0.394SS*.  trans-65.221.3175.9-82.1-33.1000114.3
237A48.6Very low72Confident45 Ų4569.6 Ų69.637%0.37239%0.388SS..SBendtrans-104.5142.8-169.300000113.2F235 L239F235-A237 PolarHBondContact O-N 2.99Å; A237-L239 HydrophobicContact CB-CB 4.49Å; A237-L239 HydrophobicContact CB-CD1 4.38Å; A237-L239 PolarHBondContact O-N 3.42Å
238P50.9Low72Confident117 Ų11769.3 Ų69.376%0.7639%0.386SS*.G310 helixtrans-70.112.2179.932.5-37000113.8H240 G241P238-H240 PolarHBondContact O-N 3.38Å; P238-G241 PolarHBondContact O-N 2.8Å
239L52.8Low72.2Confident43 Ų4366.4 Ų66.423%0.22537%0.365CS..G310 helixtrans-68.3-11.7-174.9-107.9146000113.5F18 L22 V28 A237F18-L239 WeakPolarHBondContact CE1-O 3.4Å; F18-L239 WeakPolarHBondContact CZ-O 3.45Å; L22-L239 HydrophobicContact CD1-CD2 4.45Å; L22-L239 HydrophobicContact CD2-CD2 4.48Å; V28-L239 HydrophobicContact CG1-CD2 3.83Å; V28-L239 HydrophobicContact CG2-CD2 4.2Å; A237-L239 HydrophobicContact CB-CB 4.49Å; A237-L239 HydrophobicContact CB-CD1 4.38Å; A237-L239 PolarHBondContact O-N 3.42Å
240H53.2Low72.7Confident16 Ų1661.8 Ų61.87%0.07434%0.344CS..G310 helixtrans-119.811.5176-78.9-44.8000114Y19 Y35 H233 P238 F243Y19-H240 AromaticContact CE1-CE1 3.68Å; Y19-H240 AromaticContact CE1-ND1 3.85Å; Y19-H240 AromaticContact CZ-CE1 3.65Å; Y19-H240 AromaticContact CZ-ND1 3.46Å; Y19-H240 PolarHBondContact OH-CE1 3.11Å; Y19-H240 PolarHBondContact OH-ND1 2.85Å; Y35-H240 AromaticContact CD1-NE2 3.65Å; H233-H240 AromaticContact CE1-CD2 3.85Å; H233-H240 AromaticContact CE1-CG 3.89Å; H233-H240 AromaticContact ND1-CD2 3.82Å; P238-H240 PolarHBondContact O-N 3.38Å; H240-F243 WeakPolarHBondContact O-CB 3.07Å; H240-F243 WeakPolarHBondContact O-CD2 3.42Å; H240-F243 WeakPolarHBondContact O-CG 3.34Å; H240-F243 PolarHBondContact O-N 2.97Å; H240-F243 VanDerWaalsContact O-N 3.11Å
241G54.8Low73.1Confident39 Ų3959.3 Ų59.340%0.40232%0.322SS..THydrogen-bonded Turntrans49.7-161.5-168.300000110.8P238 F243P238-G241 PolarHBondContact O-N 2.8Å; G241-F243 PolarHBondContact O-N 2.84Å
242S66.5Low73.8Confident112 Ų11261.1 Ų61.178%0.78333%0.33SS*.THydrogen-bonded Turntrans-82.440.8170-46.70000111D244S242-D244 PolarHBondContact O-N 2.84Å
243F79.6Confident75Confident28 Ų2853.4 Ų53.412%0.12330%0.297CS..  trans-95.773-173.3-46.1-35.9000110.7Y11 V15 F18 H233 H240 G241 H245Y11-F243 HydrophobicContact CD2-CD1 4.12Å; Y11-F243 HydrophobicContact CE2-CB 4.27Å; Y11-F243 AromaticContact CE2-CD1 3.56Å; Y11-F243 HydrophobicContact CE2-CD1 3.56Å; Y11-F243 HydrophobicContact CE2-CE1 4.42Å; Y11-F243 HydrophobicContact CE2-CG 4.33Å; Y11-F243 WeakPolarHBondContact OH-CA 3.02Å; Y11-F243 WeakPolarHBondContact OH-CB 3.47Å; V15-F243 HydrophobicContact CB-CD1 4.42Å; V15-F243 HydrophobicContact CB-CD2 4.05Å; V15-F243 HydrophobicContact CB-CE2 4.29Å; V15-F243 HydrophobicContact CB-CG 4.17Å; V15-F243 HydrophobicContact CG1-CB 4.37Å; V15-F243 HydrophobicContact CG1-CD2 3.8Å; V15-F243 HydrophobicContact CG1-CE2 4.37Å; V15-F243 HydrophobicContact CG1-CG 4.09Å; V15-F243 HydrophobicContact CG2-CB 3.94Å; V15-F243 HydrophobicContact CG2-CD1 3.34Å; V15-F243 HydrophobicContact CG2-CD2 3.76Å; V15-F243 HydrophobicContact CG2-CE1 3.7Å; V15-F243 HydrophobicContact CG2-CE2 4.15Å; V15-F243 HydrophobicContact CG2-CG 3.38Å; V15-F243 HydrophobicContact CG2-CZ 4.11Å; F18-F243 HydrophobicContact CB-CE2 3.76Å; F18-F243 HydrophobicContact CB-CZ 4.38Å; F18-F243 HydrophobicContact CD1-CE2 4.09Å; F18-F243 HydrophobicContact CD2-CE2 4.47Å; F18-F243 AromaticContact CG-CE2 3.84Å; F18-F243 HydrophobicContact CG-CE2 3.84Å; H233-F243 PolarHBondContact NE2-O 2.9Å; H240-F243 WeakPolarHBondContact O-CB 3.07Å; H240-F243 WeakPolarHBondContact O-CD2 3.42Å; H240-F243 WeakPolarHBondContact O-CG 3.34Å; H240-F243 PolarHBondContact O-N 2.97Å; H240-F243 VanDerWaalsContact O-N 3.11Å; G241-F243 PolarHBondContact O-N 2.84Å; F243-H245 VanDerWaalsContact C-N 3.33Å
244D86.2Confident76.5Confident68 Ų6850.4 Ų50.436%0.36429%0.285SS..THydrogen-bonded Turntrans-79.4-11.6-178.458.5-7.8000113.8A230 I231 S242A230-D244 CarbonylContact C-O 3.56Å; A230-D244 WeakPolarHBondContact CA-O 3.03Å; A230-D244 HydrophobicContact CB-CB 4.15Å; I231-D244 PolarHBondContact N-O 3.13Å; S242-D244 PolarHBondContact O-N 2.84Å
245H91.7Very high78.4Confident58 Ų5843.6 Ų43.627%0.26925%0.253SS..THydrogen-bonded Turntrans-103.33.9178.4-80.4-88.5000115Y11 E226 T227 A230 F243Y11-H245 PolarHBondContact OH-N 3.1Å; E226-H245 CarbonylContact C-O 3.53Å; E226-H245 VanDerWaalsContact CA-O 3.26Å; E226-H245 WeakPolarHBondContact CA-O 3.44Å; T227-H245 PolarHBondContact N-O 3.02Å; T227-H245 PolarHBondContact O-ND1 2.59Å; T227-H245 PolarHBondContact OG1-O 2.82Å; A230-H245 PolarHBondContact N-CE1 3.23Å; F243-H245 VanDerWaalsContact C-N 3.33Å
246V93.3Very high80.6Confident0 Ų039 Ų390%023%0.232CC..EExtended strand (participates in β ladder)trans-119.4119.2-176.9177.50000111.5Y11 L12 V15 Y19 F199 L224 L225 P248Y11-V246 HydrophobicContact CE1-CG2 4.12Å; L12-V246 HydrophobicContact CD2-CG2 3.97Å; V15-V246 HydrophobicContact CG1-CB 3.96Å; V15-V246 HydrophobicContact CG1-CG1 3.83Å; V15-V246 HydrophobicContact CG1-CG2 3.98Å; V15-V246 HydrophobicContact CG2-CG2 4.33Å; Y19-V246 HydrophobicContact CE2-CG1 4.33Å; F199-V246 HydrophobicContact CZ-CG1 4.02Å; F199-V246 HydrophobicContact CZ-CG2 4.13Å; L224-V246 HydrophobicContact CB-CG1 3.89Å; L224-V246 HydrophobicContact CD1-CG1 4.42Å; L224-V246 HydrophobicContact CD2-CG1 4.31Å; L224-V246 HydrophobicContact CG-CG1 4.43Å; L225-V246 CarbonylContact O-C 3.6Å; L225-V246 WeakPolarHBondContact O-CA 3.44Å; V246-P248 WeakPolarHBondContact O-CD 3.46Å
247L93.5Very high82.9Confident0 Ų030.1 Ų30.10%019%0.185CC..EExtended strand (participates in β ladder)trans-95.7115.1173.5-171.461.4000110.4Y35 I39 F40 I60 L224 L225 T227 I231 I249Y35-L247 HydrophobicContact CD1-CD1 4.24Å; Y35-L247 HydrophobicContact CE1-CD1 3.77Å; I39-L247 HydrophobicContact CB-CD1 4.31Å; I39-L247 HydrophobicContact CB-CD2 4.5Å; I39-L247 HydrophobicContact CG1-CD1 4.07Å; I39-L247 HydrophobicContact CG2-CD2 4.12Å; F40-L247 HydrophobicContact CE2-CD2 3.87Å; F40-L247 HydrophobicContact CZ-CD2 4.26Å; I60-L247 HydrophobicContact CD1-CD2 3.45Å; I60-L247 VanDerWaalsContact CD1-CD2 3.45Å; L224-L247 WeakPolarHBondContact CA-O 3.41Å; L225-L247 PolarHBondContact N-O 3.04Å; L225-L247 PolarHBondContact O-N 2.86Å; T227-L247 HydrophobicContact CG2-CB 4.48Å; I231-L247 HydrophobicContact CD1-CB 3.66Å; I231-L247 HydrophobicContact CD1-CD1 4.11Å; I231-L247 HydrophobicContact CD1-CG 4.32Å; L247-I249 HydrophobicContact CD2-CD1 4.05Å; L247-I249 HydrophobicContact CD2-CG1 4.1Å; L247-I249 HydrophobicContact CG-CD1 4.28Å; L247-I249 HydrophobicContact CG-CG1 3.91Å
248P95.3Very high85.3Confident0 Ų028 Ų280%017%0.167CC..EExtended strand (participates in β ladder)trans-75.5136166.533-35.2000110.4Y19 I32 Y35 T36 L222 F223 L224 V246Y19-P248 HydrophobicContact CE1-CB 3.66Å; Y19-P248 HydrophobicContact CE1-CG 4Å; Y19-P248 VanDerWaalsContact OH-CD 3.31Å; Y19-P248 WeakPolarHBondContact OH-CD 3.43Å; Y19-P248 VanDerWaalsContact OH-CG 3.28Å; Y19-P248 WeakPolarHBondContact OH-CG 3.33Å; I32-P248 HydrophobicContact CG2-CB 3.84Å; I32-P248 HydrophobicContact CG2-CG 3.76Å; Y35-P248 HydrophobicContact CD1-CG 4.17Å; Y35-P248 HydrophobicContact CE1-CG 4.34Å; T36-P248 PolarHBondContact OG1-O 2.88Å; L222-P248 HydrophobicContact CD1-CB 4.03Å; L222-P248 HydrophobicContact CD2-CB 4.36Å; L222-P248 HydrophobicContact CG-CB 4.38Å; F223-P248 CarbonylContact O-C 3.58Å; F223-P248 WeakPolarHBondContact O-CA 3.32Å; L224-P248 HydrophobicContact CD2-CB 3.9Å; V246-P248 WeakPolarHBondContact O-CD 3.46Å
249I97.2Very high87.6Confident2 Ų222.6 Ų22.61%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-136.5126.2-175.3-57.4172.6000108.5T36 F40 F65 I67 F223 L225 L247 L251T36-I249 HydrophobicContact CG2-CB 4.49Å; T36-I249 HydrophobicContact CG2-CG1 4.18Å; T36-I249 HydrophobicContact CG2-CG2 4.48Å; F40-I249 HydrophobicContact CE2-CD1 4.1Å; F40-I249 HydrophobicContact CE2-CG1 4.11Å; F40-I249 HydrophobicContact CZ-CD1 3.82Å; F40-I249 HydrophobicContact CZ-CG1 4.33Å; F65-I249 HydrophobicContact CE1-CD1 3.69Å; F65-I249 HydrophobicContact CZ-CD1 3.83Å; I67-I249 HydrophobicContact CD1-CG2 3.5Å; F223-I249 HydrophobicContact CB-CB 4.41Å; F223-I249 HydrophobicContact CD1-CB 4.37Å; F223-I249 HydrophobicContact CD1-CD1 4.08Å; F223-I249 HydrophobicContact CE1-CD1 4.49Å; F223-I249 PolarHBondContact N-O 3.1Å; F223-I249 PolarHBondContact O-N 2.82Å; L225-I249 HydrophobicContact CB-CD1 4.11Å; L225-I249 HydrophobicContact CD2-CD1 4.44Å; L247-I249 HydrophobicContact CD2-CD1 4.05Å; L247-I249 HydrophobicContact CD2-CG1 4.1Å; L247-I249 HydrophobicContact CG-CD1 4.28Å; L247-I249 HydrophobicContact CG-CG1 3.91Å; I249-L251 HydrophobicContact CG2-CD2 3.86Å; I249-L251 HydrophobicContact CG2-CG 4.48Å
250Y97.4Very high89.7Confident9 Ų920.5 Ų20.54%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-79.2122.4169.4-73.2-80.1000110.2R29 I32 R33 T220 A221 L222 F274R29-Y250 WeakPolarHBondContact CA-OH 3.45Å; R29-Y250 WeakPolarHBondContact CG-OH 3.42Å; I32-Y250 HydrophobicContact CB-CE2 3.9Å; I32-Y250 HydrophobicContact CG2-CD2 4.18Å; I32-Y250 HydrophobicContact CG2-CE2 3.49Å; I32-Y250 VanDerWaalsContact CG2-CE2 3.49Å; R33-Y250 HydrophobicContact CG-CD2 3.47Å; R33-Y250 VanDerWaalsContact CG-CD2 3.47Å; R33-Y250 HydrophobicContact CG-CE2 3.63Å; R33-Y250 HydrophobicContact CG-CG 4.46Å; T220-Y250 HydrophobicContact CG2-CD1 3.7Å; T220-Y250 HydrophobicContact CG2-CG 4.46Å; A221-Y250 WeakPolarHBondContact O-CA 3.44Å; L222-Y250 HydrophobicContact CD1-CD1 4.18Å; L222-Y250 HydrophobicContact CD1-CD2 4.34Å; L222-Y250 HydrophobicContact CD1-CE1 4.04Å; L222-Y250 HydrophobicContact CD1-CE2 4.19Å; L222-Y250 HydrophobicContact CD1-CG 4.33Å; Y250-F274 HydrophobicContact CD1-CD2 4.33Å; Y250-F274 AromaticContact CD1-CE2 3.91Å; Y250-F274 HydrophobicContact CD1-CE2 3.91Å; Y250-F274 HydrophobicContact CE1-CD2 4.02Å; Y250-F274 AromaticContact CE1-CE2 3.36Å; Y250-F274 HydrophobicContact CE1-CE2 3.36Å; Y250-F274 AromaticContact CE1-CZ 3.73Å; Y250-F274 HydrophobicContact CE1-CZ 3.73Å
251L97.7Very high91.7Very high4 Ų421.5 Ų21.52%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-107.9110.2173.8-62-175.8000109.8I67 T220 A221 F223 I249 V257 R321I67-L251 HydrophobicContact CD1-CD2 4.26Å; T220-L251 WeakPolarHBondContact CA-O 3.37Å; A221-L251 PolarHBondContact N-O 3.45Å; A221-L251 PolarHBondContact O-N 2.96Å; F223-L251 HydrophobicContact CB-CD1 3.58Å; F223-L251 HydrophobicContact CB-CG 3.81Å; F223-L251 HydrophobicContact CD2-CD1 4.07Å; F223-L251 HydrophobicContact CG-CD1 3.88Å; F223-L251 HydrophobicContact CG-CG 4.49Å; I249-L251 HydrophobicContact CG2-CD2 3.86Å; I249-L251 HydrophobicContact CG2-CG 4.48Å; L251-V257 HydrophobicContact CD1-CG2 3.81Å; L251-V257 HydrophobicContact CD2-CG2 3.49Å; L251-V257 VanDerWaalsContact CD2-CG2 3.49Å; L251-V257 HydrophobicContact CG-CG2 4.32Å; L251-R321 PolarHBondContact O-NH1 3.13Å
252H96.3Very high93.6Very high54 Ų5424.1 Ų24.125%0.2514%0.136CC..  trans-89.3176.9-177.4-60.7-66.5000112.3S216 T220 G254 D255S216-H252 WeakPolarHBondContact CB-O 3.44Å; T220-H252 WeakPolarHBondContact CG2-ND1 3.4Å; T220-H252 PolarHBondContact OG1-ND1 2.81Å; H252-G254 PolarHBondContact O-N 3.05Å; H252-D255 IonicContact CD2-OD2 3.5Å; H252-D255 IonicContact CG-OD2 2.71Å; H252-D255 PolarHBondContact N-OD2 3.09Å; H252-D255 PolarHBondContact O-N 2.94Å
253H96Very high95.1Very high28 Ų2818.8 Ų18.813%0.1310%0.099CC..THydrogen-bonded Turntrans-60.8125.5171.4-178.959.7000111.3I77 W81 G218 D255 V282I77-H253 WeakPolarHBondContact CG2-CE1 3.41Å; I77-H253 WeakPolarHBondContact CG2-NE2 3.5Å; W81-H253 AromaticContact CE3-CE1 3.73Å; W81-H253 AromaticContact CH2-CE1 3.99Å; W81-H253 AromaticContact CZ3-CE1 3.39Å; W81-H253 WeakPolarHBondContact CZ3-CE1 3.48Å; W81-H253 AromaticContact CZ3-NE2 3.94Å; G218-H253 PolarHBondContact N-ND1 3.06Å; G218-H253 VanDerWaalsContact N-ND1 3.12Å; H253-D255 VanDerWaalsContact C-N 3.32Å; H253-V282 HydrophobicContact CB-CG2 3.42Å; H253-V282 VanDerWaalsContact CB-CG2 3.42Å
254G95.8Very high96Very high4 Ų417.7 Ų17.74%0.0419%0.094CC..THydrogen-bonded Turntrans86.5-6.5-179.200000114.7S216 H252S216-G254 PolarHBondContact O-N 3.24Å; H252-G254 PolarHBondContact O-N 3.05Å
255D97.1Very high96.5Very high5 Ų518.1 Ų18.13%0.02710%0.096CC..  trans-67.8137177.5-76-12.3000110.8I67 S216 H252 H253I67-D255 HydrophobicContact CG2-CB 4.35Å; S216-D255 WeakPolarHBondContact CB-O 3.31Å; S216-D255 PolarHBondContact N-O 2.59Å; H252-D255 IonicContact CD2-OD2 3.5Å; H252-D255 IonicContact CG-OD2 2.71Å; H252-D255 PolarHBondContact N-OD2 3.09Å; H252-D255 PolarHBondContact O-N 2.94Å; H253-D255 VanDerWaalsContact C-N 3.32Å
256V98.5Very high96.8Very high0 Ų015.9 Ų15.90%09%0.087CC..EExtended strand (participates in β ladder)trans-114120.8174.5-178.20000108.9I67 L68 F72 I153 V213 S214 I215 I258I67-V256 CarbonylContact C-O 3.53Å; I67-V256 VanDerWaalsContact CA-O 3.26Å; I67-V256 WeakPolarHBondContact CA-O 3.48Å; L68-V256 HydrophobicContact CB-CB 4.09Å; L68-V256 HydrophobicContact CD1-CB 4.34Å; L68-V256 HydrophobicContact CD1-CG1 4.36Å; L68-V256 HydrophobicContact CG-CB 4.23Å; L68-V256 PolarHBondContact N-O 2.86Å; L68-V256 PolarHBondContact O-N 3.21Å; F72-V256 HydrophobicContact CD2-CG2 4.25Å; F72-V256 HydrophobicContact CE2-CG2 3.32Å; F72-V256 HydrophobicContact CZ-CG2 3.68Å; I153-V256 HydrophobicContact CD1-CG1 3.98Å; I153-V256 HydrophobicContact CD1-CG2 4.25Å; I153-V256 HydrophobicContact CG1-CG1 4.48Å; I153-V256 HydrophobicContact CG2-CG1 3.92Å; V213-V256 HydrophobicContact CG1-CG1 3.87Å; S214-V256 CarbonylContact O-C 3.59Å; S214-V256 WeakPolarHBondContact O-CA 3.39Å; I215-V256 HydrophobicContact CG1-CG2 4.34Å; V256-I258 HydrophobicContact CG1-CG1 4.24Å
257V98.7Very high97Very high0 Ų017.7 Ų17.70%09%0.094CC..EExtended strand (participates in β ladder)trans-94.1136.8169.6173.30000108.8F65 F66 I67 V213 S214 L251 M259F65-V257 HydrophobicContact CD2-CG1 4.4Å; F65-V257 HydrophobicContact CE1-CG1 4.42Å; F65-V257 HydrophobicContact CE2-CG1 3.48Å; F65-V257 VanDerWaalsContact CE2-CG1 3.48Å; F65-V257 HydrophobicContact CZ-CG1 3.5Å; F65-V257 VanDerWaalsContact CZ-CG1 3.5Å; F65-V257 HydrophobicContact CZ-CG2 4.31Å; F66-V257 CarbonylContact O-C 3.46Å; F66-V257 WeakPolarHBondContact O-CA 3.43Å; I67-V257 HydrophobicContact CG1-CG2 4.39Å; V213-V257 CarbonylContact C-O 3.53Å; V213-V257 WeakPolarHBondContact CA-O 3.26Å; S214-V257 PolarHBondContact N-O 3.36Å; S214-V257 PolarHBondContact O-N 3.06Å; L251-V257 HydrophobicContact CD1-CG2 3.81Å; L251-V257 HydrophobicContact CD2-CG2 3.49Å; L251-V257 VanDerWaalsContact CD2-CG2 3.49Å; L251-V257 HydrophobicContact CG-CG2 4.32Å; V257-M259 HydrophobicContact CG1-CG 3.84Å; V257-M259 HydrophobicContact CG1-SD 4.47Å
258I98.7Very high97.2Very high0 Ų018.2 Ų18.20%010%0.096CC..EExtended strand (participates in β ladder)trans-122.9118.5168.7-48171.7000107.9F66 L68 I153 L157 P211 L212 V213 V256F66-I258 HydrophobicContact CB-CB 4.19Å; F66-I258 HydrophobicContact CD2-CB 4.23Å; F66-I258 HydrophobicContact CD2-CG2 4.49Å; F66-I258 PolarHBondContact N-O 2.99Å; F66-I258 PolarHBondContact O-N 3.36Å; L68-I258 HydrophobicContact CD1-CD1 4.13Å; L68-I258 HydrophobicContact CD2-CD1 4.38Å; L68-I258 HydrophobicContact CG-CD1 4.26Å; I153-I258 HydrophobicContact CG2-CD1 3.63Å; I153-I258 HydrophobicContact CG2-CG1 4.15Å; L157-I258 HydrophobicContact CB-CD1 4.08Å; L157-I258 HydrophobicContact CD1-CD1 4.34Å; L157-I258 HydrophobicContact CD2-CD1 3.9Å; L157-I258 HydrophobicContact CD2-CG2 3.96Å; L157-I258 HydrophobicContact CG-CD1 4.33Å; P211-I258 HydrophobicContact CB-CG2 3.86Å; L212-I258 CarbonylContact O-C 3.56Å; L212-I258 VanDerWaalsContact O-CA 3.31Å; L212-I258 WeakPolarHBondContact O-CA 3.24Å; V213-I258 HydrophobicContact CG2-CG1 4.48Å; V213-I258 HydrophobicContact CG2-CG2 4.45Å; V256-I258 HydrophobicContact CG1-CG1 4.24Å
259M98.5Very high97.3Very high4 Ų418.2 Ų18.22%0.0210%0.096CC..EExtended strand (participates in β ladder)trans-104.5110.2176.1-60.317765.100108.5F65 L212 F223 L225 V257 S263 R264 A266F65-M259 HydrophobicContact CD2-CG 3.83Å; F65-M259 HydrophobicContact CE2-CG 3.73Å; F65-M259 HydrophobicContact CE2-SD 4.3Å; L212-M259 HydrophobicContact CB-CB 4.34Å; L212-M259 HydrophobicContact CD2-SD 4.39Å; L212-M259 PolarHBondContact N-O 3.1Å; L212-M259 PolarHBondContact O-N 3.13Å; F223-M259 HydrophobicContact CZ-SD 4.14Å; L225-M259 HydrophobicContact CD1-CE 3.97Å; V257-M259 HydrophobicContact CG1-CG 3.84Å; V257-M259 HydrophobicContact CG1-SD 4.47Å; M259-S263 WeakPolarHBondContact CA-OG 3.45Å; M259-S263 WeakPolarHBondContact CE-O 3.5Å; M259-R264 WeakPolarHBondContact O-CD 3.36Å; M259-A266 HydrophobicContact CE-CB 4.14Å
260A97.9Very high97.4Very high0 Ų018.8 Ų18.80%010%0.1CC..  trans-133.4179179.200000110.4D64 F66 L174 P211 K262 S263 R264D64-A260 HydrophobicContact CB-CB 4.44Å; D64-A260 WeakPolarHBondContact CB-O 3.47Å; D64-A260 PolarHBondContact O-N 3.44Å; D64-A260 VanDerWaalsContact O-N 3.14Å; F66-A260 HydrophobicContact CE2-CB 4.36Å; L174-A260 HydrophobicContact CD1-CB 3.53Å; L174-A260 HydrophobicContact CD2-CB 4.41Å; P211-A260 HydrophobicContact CB-CB 4.18Å; P211-A260 HydrophobicContact CG-CB 4.1Å; A260-K262 PolarHBondContact O-N 3.08Å; A260-S263 PolarHBondContact N-OG 3.32Å; A260-S263 VanDerWaalsContact N-OG 3.11Å; A260-S263 PolarHBondContact O-N 3.35Å; A260-S263 PolarHBondContact O-OG 3.43Å; A260-R264 PolarHBondContact O-N 3.05Å; A260-R264 VanDerWaalsContact O-N 3.14Å
261G95.5Very high97.4Very high36 Ų3618.5 Ų18.537%0.37110%0.099SC..G310 helixtrans50.2-125.2178.900000112.2R264G261-R264 WeakPolarHBondContact O-CB 3.48Å; G261-R264 PolarHBondContact O-N 2.86Å
262K94.8Very high97.3Very high95 Ų9519.6 Ų19.641%0.41311%0.106SC..G310 helixtrans-66.3-38.7178.3-64.9-170.5-167.9163.50112.9T62 E63 S228 E229 A260 R264T62-K262 WeakPolarHBondContact O-CD 3.41Å; T62-K262 WeakPolarHBondContact O-CE 3.41Å; T62-K262 PolarHBondContact O-NZ 2.65Å; E63-K262 PolarHBondContact O-N 3.31Å; S228-K262 WeakPolarHBondContact OG-CD 3.39Å; S228-K262 PolarHBondContact OG-NZ 3.47Å; E229-K262 IonicContact OE1-NZ 3.89Å; A260-K262 PolarHBondContact O-N 3.08Å; K262-R264 PolarHBondContact O-N 3.45Å
263S97.4Very high97.4Very high0 Ų017.7 Ų17.70%010%0.098CC..G310 helixtrans-68.5-18.5-178.671.70000113E63 D64 M259 A260 L265 A266E63-S263 WeakPolarHBondContact O-CB 3.39Å; E63-S263 PolarHBondContact O-N 3.12Å; E63-S263 PolarHBondContact O-OG 3.36Å; D64-S263 PolarHBondContact O-OG 3.41Å; M259-S263 WeakPolarHBondContact CA-OG 3.45Å; M259-S263 WeakPolarHBondContact CE-O 3.5Å; A260-S263 PolarHBondContact N-OG 3.32Å; A260-S263 VanDerWaalsContact N-OG 3.11Å; A260-S263 PolarHBondContact O-N 3.35Å; A260-S263 PolarHBondContact O-OG 3.43Å; S263-L265 PolarHBondContact O-N 2.9Å; S263-A266 VanDerWaalsContact O-CB 3.31Å; S263-A266 WeakPolarHBondContact O-CB 3.24Å; S263-A266 PolarHBondContact O-N 3.21Å
264R97.7Very high97.4Very high5 Ų516.7 Ų16.72%0.0199%0.093CC..G310 helixtrans-53.9-31.9-179.6-178.953.4-172.783.24.4113.7D202 E205 K208 A210 M259 A260 G261 K262D202-R264 PolarHBondContact O-NH1 3.5Å; E205-R264 VanDerWaalsContact CD-NH2 3.3Å; E205-R264 IonicContact OE2-CZ 2.81Å; E205-R264 IonicContact OE2-NH1 3.06Å; E205-R264 IonicContact OE2-NH2 3.36Å; E205-R264 PolarHBondContact OE2-NH2 2.95Å; K208-R264 WeakPolarHBondContact O-CG 3.37Å; A210-R264 VanDerWaalsContact O-CD 3.22Å; A210-R264 WeakPolarHBondContact O-CD 3.49Å; A210-R264 PolarHBondContact O-NE 3.5Å; M259-R264 WeakPolarHBondContact O-CD 3.36Å; A260-R264 PolarHBondContact O-N 3.05Å; A260-R264 VanDerWaalsContact O-N 3.14Å; G261-R264 WeakPolarHBondContact O-CB 3.48Å; G261-R264 PolarHBondContact O-N 2.86Å; K262-R264 PolarHBondContact O-N 3.45Å
265L97.3Very high97.2Very high77 Ų7719.2 Ų19.240%0.40310%0.103SC..G310 helixtrans-113.38.3178.4-63.8177.4000113.2S201 D203 K208 S263 R267S201-L265 PolarHBondContact OG-O 2.76Å; D203-L265 HydrophobicContact CB-CD2 4.15Å; K208-L265 HydrophobicContact CB-CD1 4.49Å; K208-L265 HydrophobicContact CB-CD2 4.24Å; K208-L265 HydrophobicContact CD-CD2 4.48Å; K208-L265 HydrophobicContact CG-CD2 4.41Å; S263-L265 PolarHBondContact O-N 2.9Å; L265-R267 PolarHBondContact O-N 2.79Å
266A97.3Very high96.9Very high11 Ų1124 Ų249%0.09113%0.129CC..  trans-61.8137.2179.300000111.4L225 E226 M259 S263 H268L225-A266 HydrophobicContact CD1-CB 3.71Å; E226-A266 WeakPolarHBondContact O-CB 3.44Å; M259-A266 HydrophobicContact CE-CB 4.14Å; S263-A266 VanDerWaalsContact O-CB 3.31Å; S263-A266 WeakPolarHBondContact O-CB 3.24Å; S263-A266 PolarHBondContact O-N 3.21Å; A266-H268 PolarHBondContact O-N 3.22Å; A266-H268 PolarHBondContact O-ND1 3.1Å
267R97.6Very high96.2Very high38 Ų3825.9 Ų25.914%0.14314%0.138CC..  trans-68135.5173.4-67.6179.7-71.6-158.1-1.3108.9L12 F199 H200 S201 E226 L265L12-R267 HydrophobicContact CD1-CB 4.2Å; L12-R267 HydrophobicContact CD1-CG 4.47Å; L12-R267 VanDerWaalsContact CD1-CZ 3.47Å; F199-R267 HydrophobicContact CD1-CB 4.11Å; H200-R267 CarbonylContact O-C 3.51Å; H200-R267 VanDerWaalsContact O-CA 3.27Å; H200-R267 WeakPolarHBondContact O-CA 3.36Å; S201-R267 VanDerWaalsContact OG-CG 3.29Å; S201-R267 WeakPolarHBondContact OG-CG 3.33Å; E226-R267 HydrophobicContact CB-CB 4.21Å; E226-R267 VanDerWaalsContact CB-O 3.26Å; E226-R267 WeakPolarHBondContact CB-O 3.35Å; E226-R267 VanDerWaalsContact CD-NH2 3.28Å; E226-R267 PolarHBondContact N-O 3.04Å; E226-R267 IonicContact OE1-CZ 3.86Å; E226-R267 IonicContact OE1-NE 2.92Å; E226-R267 IonicContact OE1-NH2 3.48Å; E226-R267 PolarHBondContact OE1-NH2 2.67Å; E226-R267 WeakPolarHBondContact OE2-CB 3.33Å; E226-R267 IonicContact OE2-CZ 2.84Å; E226-R267 VanDerWaalsContact OE2-CZ 3.3Å; E226-R267 IonicContact OE2-NE 3.41Å; E226-R267 PolarHBondContact OE2-NE 2.65Å; E226-R267 IonicContact OE2-NH2 3.3Å; E226-R267 PolarHBondContact OE2-NH2 3.32Å; E226-R267 VanDerWaalsContact OE2-NH2 3.1Å; L265-R267 PolarHBondContact O-N 2.79Å
268H98.2Very high95.3Very high11 Ų1129 Ų295%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-146.8158.4-178.261.1-86.1000112.8F199 H200 D202 F223 L224 A266F199-H268 VanDerWaalsContact CA-O 3.27Å; F199-H268 WeakPolarHBondContact CA-O 3.33Å; H200-H268 AromaticContact CE1-CD2 3.66Å; H200-H268 AromaticContact CE1-NE2 3.38Å; H200-H268 PolarHBondContact CE1-NE2 3.33Å; H200-H268 PolarHBondContact N-O 3.44Å; H200-H268 VanDerWaalsContact N-O 3.07Å; H200-H268 PolarHBondContact ND1-O 2.98Å; H200-H268 VanDerWaalsContact ND1-O 3.13Å; H200-H268 AromaticContact NE2-CE1 3.98Å; H200-H268 AromaticContact NE2-NE2 3.38Å; H200-H268 PolarHBondContact NE2-NE2 3.44Å; H200-H268 PolarHBondContact O-N 3.39Å; H200-H268 PolarHBondContact O-ND1 3.28Å; D202-H268 IonicContact OD2-CE1 3.4Å; D202-H268 PolarHBondContact OD2-CE1 3.39Å; D202-H268 IonicContact OD2-NE2 3.05Å; F223-H268 HydrophobicContact CE1-CB 4.19Å; F223-H268 HydrophobicContact CE2-CB 3.77Å; F223-H268 AromaticContact CE2-CD2 3.55Å; F223-H268 AromaticContact CE2-CG 3.89Å; F223-H268 HydrophobicContact CZ-CB 3.44Å; F223-H268 VanDerWaalsContact CZ-CB 3.44Å; F223-H268 AromaticContact CZ-CD2 3.93Å; F223-H268 AromaticContact CZ-CG 3.79Å; L224-H268 CarbonylContact O-C 3.54Å; L224-H268 WeakPolarHBondContact O-CA 3.29Å; L224-H268 VanDerWaalsContact O-CB 3.23Å; L224-H268 WeakPolarHBondContact O-CB 3.34Å; A266-H268 PolarHBondContact O-N 3.22Å; A266-H268 PolarHBondContact O-ND1 3.1Å
269A98.3Very high94.8Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-147162.1-173.800000113F16 M197 F199 F223 L224F16-A269 HydrophobicContact CD2-CB 3.82Å; F16-A269 HydrophobicContact CE2-CB 4.12Å; M197-A269 WeakPolarHBondContact O-CA 2.8Å; M197-A269 WeakPolarHBondContact O-CB 3.2Å; F199-A269 HydrophobicContact CB-CB 4.47Å; F199-A269 HydrophobicContact CD1-CB 3.89Å; F199-A269 HydrophobicContact CD2-CB 3.9Å; F199-A269 HydrophobicContact CE1-CB 4.04Å; F199-A269 HydrophobicContact CE2-CB 4.06Å; F199-A269 HydrophobicContact CG-CB 3.82Å; F199-A269 HydrophobicContact CZ-CB 4.13Å; F223-A269 CarbonylContact C-O 3.6Å; F223-A269 WeakPolarHBondContact CA-O 3.45Å; L224-A269 HydrophobicContact CB-CB 4.24Å; L224-A269 HydrophobicContact CD1-CB 4.38Å; L224-A269 PolarHBondContact N-O 3.34Å; L224-A269 PolarHBondContact O-N 2.93Å
270V98.4Very high94.4Very high14 Ų1437.6 Ų37.69%0.08520%0.199CC..EExtended strand (participates in β ladder)trans-128.587.2172-1760000109.1Y191 T196 M197 A221 L222 F223 I273Y191-V270 HydrophobicContact CE1-CB 4.46Å; Y191-V270 HydrophobicContact CE1-CG1 4.43Å; T196-V270 CarbonylContact C-O 3.48Å; T196-V270 VanDerWaalsContact CA-O 3.32Å; T196-V270 WeakPolarHBondContact CA-O 3.45Å; T196-V270 WeakPolarHBondContact CB-O 3.45Å; M197-V270 HydrophobicContact CB-CB 4.04Å; M197-V270 HydrophobicContact CB-CG2 4.4Å; M197-V270 PolarHBondContact N-O 3.09Å; M197-V270 CarbonylContact O-C 3.47Å; M197-V270 PolarHBondContact O-N 3.01Å; A221-V270 HydrophobicContact CB-CG1 4.04Å; L222-V270 WeakPolarHBondContact O-CA 3.28Å; F223-V270 HydrophobicContact CD2-CG2 4.23Å; V270-I273 HydrophobicContact CG1-CD1 3.62Å
271P97.1Very high94Very high2 Ų242.3 Ų42.31%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-73.4-26.7-177.427.7-38.5000114.6F16 K20 T196 L222 L224F16-P271 HydrophobicContact CD2-CB 4.05Å; F16-P271 HydrophobicContact CE2-CB 3.79Å; F16-P271 HydrophobicContact CZ-CB 4.36Å; K20-P271 HydrophobicContact CB-CB 4.03Å; T196-P271 WeakPolarHBondContact CG2-O 3.21Å; L222-P271 HydrophobicContact CB-CG 4.38Å; L222-P271 HydrophobicContact CD2-CG 4.25Å; L222-P271 VanDerWaalsContact O-CD 3.3Å; L222-P271 WeakPolarHBondContact O-CD 3.48Å; L224-P271 HydrophobicContact CD1-CG 3.86Å; L224-P271 HydrophobicContact CD2-CG 4.32Å; L224-P271 HydrophobicContact CG-CG 3.9Å
272V97.1Very high93.9Very high28 Ų2840.9 Ų40.917%0.1721%0.212CC..EExtended strand (participates in β ladder)trans-153.2145.4-173.363.90000112.8Y24 L222 F274Y24-V272 HydrophobicContact CE2-CB 4.37Å; Y24-V272 HydrophobicContact CE2-CG1 3.77Å; Y24-V272 HydrophobicContact CE2-CG2 4.38Å; Y24-V272 WeakPolarHBondContact OH-CG1 3.36Å; L222-V272 HydrophobicContact CB-CG1 3.57Å; L222-V272 HydrophobicContact CD2-CG1 4.31Å; L222-V272 PolarHBondContact N-O 3.37Å; V272-F274 HydrophobicContact CG1-CE1 4.11Å; V272-F274 HydrophobicContact CG1-CE2 3.79Å; V272-F274 HydrophobicContact CG1-CZ 3.45Å; V272-F274 VanDerWaalsContact CG1-CZ 3.45Å; V272-F274 HydrophobicContact CG2-CE1 4.2Å; V272-F274 HydrophobicContact CG2-CZ 4.34Å
273I97.1Very high93.8Very high14 Ų1437.7 Ų37.77%0.07220%0.201CC..EExtended strand (participates in β ladder)trans-116.4131.6170-48.6-56.7000108.5Y191 P219 A221 V270 F275 R321Y191-I273 HydrophobicContact CD1-CD1 4.36Å; Y191-I273 HydrophobicContact CG-CD1 4.31Å; P219-I273 HydrophobicContact CB-CG2 3.79Å; A221-I273 HydrophobicContact CB-CD1 3.59Å; V270-I273 HydrophobicContact CG1-CD1 3.62Å; I273-F275 HydrophobicContact CB-CD2 4.34Å; I273-F275 HydrophobicContact CB-CE2 3.67Å; I273-F275 HydrophobicContact CB-CZ 3.82Å; I273-F275 HydrophobicContact CG1-CZ 4.45Å; I273-F275 HydrophobicContact CG2-CD1 4.33Å; I273-F275 HydrophobicContact CG2-CD2 4.25Å; I273-F275 HydrophobicContact CG2-CE1 3.81Å; I273-F275 HydrophobicContact CG2-CE2 3.73Å; I273-F275 HydrophobicContact CG2-CZ 3.48Å; I273-F275 VanDerWaalsContact CG2-CZ 3.48Å; I273-F275 PolarHBondContact O-N 3.43Å; I273-R321 HydrophobicContact CG2-CB 4.09Å
274F95.5Very high93.6Very high6 Ų642.7 Ų42.73%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-96.684.8-177-58.5-78.4000110.7Y24 T220 L222 Y250 V272 D276 D277Y24-F274 AromaticContact CD1-CE1 3.87Å; Y24-F274 HydrophobicContact CD1-CE1 3.87Å; Y24-F274 AromaticContact CD1-CZ 3.83Å; Y24-F274 HydrophobicContact CD1-CZ 3.83Å; Y24-F274 AromaticContact CD2-CE1 3.79Å; Y24-F274 HydrophobicContact CD2-CE1 3.79Å; Y24-F274 HydrophobicContact CD2-CZ 4.22Å; Y24-F274 HydrophobicContact CE1-CE1 4.27Å; Y24-F274 AromaticContact CE1-CZ 3.83Å; Y24-F274 HydrophobicContact CE1-CZ 3.83Å; Y24-F274 HydrophobicContact CE2-CE1 4.22Å; Y24-F274 HydrophobicContact CE2-CZ 4.23Å; Y24-F274 AromaticContact CG-CE1 3.6Å; Y24-F274 HydrophobicContact CG-CE1 3.6Å; Y24-F274 HydrophobicContact CG-CZ 4.02Å; T220-F274 HydrophobicContact CG2-CD2 4.11Å; T220-F274 PolarHBondContact O-N 3.39Å; L222-F274 HydrophobicContact CB-CE2 3.92Å; L222-F274 HydrophobicContact CB-CZ 4.32Å; Y250-F274 HydrophobicContact CD1-CD2 4.33Å; Y250-F274 AromaticContact CD1-CE2 3.91Å; Y250-F274 HydrophobicContact CD1-CE2 3.91Å; Y250-F274 HydrophobicContact CE1-CD2 4.02Å; Y250-F274 AromaticContact CE1-CE2 3.36Å; Y250-F274 HydrophobicContact CE1-CE2 3.36Å; Y250-F274 AromaticContact CE1-CZ 3.73Å; Y250-F274 HydrophobicContact CE1-CZ 3.73Å; V272-F274 HydrophobicContact CG1-CE1 4.11Å; V272-F274 HydrophobicContact CG1-CE2 3.79Å; V272-F274 HydrophobicContact CG1-CZ 3.45Å; V272-F274 VanDerWaalsContact CG1-CZ 3.45Å; V272-F274 HydrophobicContact CG2-CE1 4.2Å; V272-F274 HydrophobicContact CG2-CZ 4.34Å; F274-D276 WeakPolarHBondContact CB-OD1 3.48Å; F274-D276 PolarHBondContact O-N 2.99Å; F274-D277 HydrophobicContact CB-CB 3.97Å; F274-D277 WeakPolarHBondContact O-CB 3.19Å; F274-D277 PolarHBondContact O-N 3.47Å
275F92.7Very high93.4Very high57 Ų5742.5 Ų42.525%0.2522%0.223CC..THydrogen-bonded Turntrans-71.4-10.7177.6-63.7-75000113.8R192 P219 I273 T319R192-F275 VanDerWaalsContact C-CZ 3.47Å; P219-F275 HydrophobicContact CB-CD1 3.97Å; P219-F275 HydrophobicContact CB-CE1 4.21Å; P219-F275 HydrophobicContact CG-CD1 3.58Å; P219-F275 HydrophobicContact CG-CE1 3.83Å; I273-F275 HydrophobicContact CB-CD2 4.34Å; I273-F275 HydrophobicContact CB-CE2 3.67Å; I273-F275 HydrophobicContact CB-CZ 3.82Å; I273-F275 HydrophobicContact CG1-CZ 4.45Å; I273-F275 HydrophobicContact CG2-CD1 4.33Å; I273-F275 HydrophobicContact CG2-CD2 4.25Å; I273-F275 HydrophobicContact CG2-CE1 3.81Å; I273-F275 HydrophobicContact CG2-CE2 3.73Å; I273-F275 HydrophobicContact CG2-CZ 3.48Å; I273-F275 VanDerWaalsContact CG2-CZ 3.48Å; I273-F275 PolarHBondContact O-N 3.43Å; F275-T319 VanDerWaalsContact CE1-C 3.41Å; F275-T319 WeakPolarHBondContact CE1-O 3.42Å
276D90.3Very high93.2Very high107 Ų10738.9 Ų38.957%0.57220%0.204SC*.THydrogen-bonded Turntrans-82.9-14.9172.262.9-42000112.9R29 F274 D278R29-D276 IonicContact CZ-OD1 3.57Å; R29-D276 IonicContact CZ-OD2 2.68Å; R29-D276 VanDerWaalsContact CZ-OD2 3.31Å; R29-D276 IonicContact NH1-OD1 3.71Å; R29-D276 PolarHBondContact NH1-OD1 2.83Å; R29-D276 IonicContact NH1-OD2 3.52Å; R29-D276 PolarHBondContact NH1-OD2 3.42Å; R29-D276 IonicContact NH2-OD1 3.86Å; R29-D276 PolarHBondContact NH2-OD1 2.9Å; R29-D276 IonicContact NH2-OD2 3.68Å; R29-D276 PolarHBondContact NH2-OD2 3.11Å; F274-D276 WeakPolarHBondContact CB-OD1 3.48Å; F274-D276 PolarHBondContact O-N 2.99Å; D276-D278 PolarHBondContact O-N 2.78Å
277D84.7Confident93.1Very high38 Ų3842.2 Ų42.220%0.20322%0.219CC..  trans-83.857.7178.3-160.724.8000111.1T220 F274 T279T220-D277 VanDerWaalsContact CB-OD2 3.24Å; T220-D277 WeakPolarHBondContact CB-OD2 3.21Å; T220-D277 PolarHBondContact OG1-OD2 3.25Å; F274-D277 HydrophobicContact CB-CB 3.97Å; F274-D277 WeakPolarHBondContact O-CB 3.19Å; F274-D277 PolarHBondContact O-N 3.47Å; D277-T279 PolarHBondContact O-N 3.22Å
278D79.4Confident92.9Very high67 Ų6745.3 Ų45.336%0.35823%0.231SC..  trans-80.697.9177.4-17944000110.5D276 S283 R318D276-D278 PolarHBondContact O-N 2.78Å; D278-S283 PolarHBondContact OD1-OG 3.39Å; D278-S283 PolarHBondContact OD2-OG 2.8Å; D278-R318 IonicContact OD1-CZ 3.99Å; D278-R318 IonicContact OD1-NE 3.59Å; D278-R318 IonicContact OD1-NH2 2.6Å; D278-R318 IonicContact OD2-CZ 2.68Å; D278-R318 VanDerWaalsContact OD2-CZ 3.22Å; D278-R318 IonicContact OD2-NE 3.34Å; D278-R318 IonicContact OD2-NH1 3.49Å; D278-R318 IonicContact OD2-NH2 3.36Å; D278-R318 PolarHBondContact OD2-NH2 3.42Å
279T87.5Confident92.8Very high53 Ų5344.8 Ų44.833%0.32523%0.229SC..  trans-84.7151.7175.373.40000110.9D277 V281 V282 S283D277-T279 PolarHBondContact O-N 3.22Å; T279-V281 PolarHBondContact O-N 3.12Å; T279-V282 PolarHBondContact O-N 3.29Å; T279-V282 VanDerWaalsContact O-N 3.1Å; T279-V282 VanDerWaalsContact OG1-CG2 3.3Å; T279-V282 WeakPolarHBondContact OG1-CG2 2.85Å; T279-V282 PolarHBondContact OG1-N 3.04Å; T279-S283 PolarHBondContact O-N 2.61Å
280E91.2Very high92.6Very high130 Ų13044.8 Ų44.861%0.60723%0.229SC*.Hα-helixtrans-57-35.2177.6-173.1178.5-176.800112.2K284E280-K284 HydrophobicContact CG-CD 4.05Å; E280-K284 HydrophobicContact CG-CG 4.35Å; E280-K284 WeakPolarHBondContact O-CB 3.39Å; E280-K284 WeakPolarHBondContact O-CG 3.35Å; E280-K284 PolarHBondContact O-N 3.11Å; E280-K284 WeakPolarHBondContact OE1-CE 3.29Å; E280-K284 IonicContact OE1-NZ 3.65Å; E280-K284 PolarHBondContact OE1-NZ 3.23Å
281V89.4Confident92.3Very high100 Ų10048.1 Ų48.161%0.60624%0.243SC*.Hα-helixtrans-63.1-48.3176.9179.90000110.8T279 G285T279-V281 PolarHBondContact O-N 3.12Å; V281-G285 PolarHBondContact O-N 3.3Å
282V92.3Very high92.1Very high6 Ų650.2 Ų50.24%0.03625%0.254CS..Hα-helixtrans-63-48178173.70000110.5W81 H253 T279 K284 G285 A286W81-V282 HydrophobicContact CH2-CG1 4.27Å; H253-V282 HydrophobicContact CB-CG2 3.42Å; H253-V282 VanDerWaalsContact CB-CG2 3.42Å; T279-V282 PolarHBondContact O-N 3.29Å; T279-V282 VanDerWaalsContact O-N 3.1Å; T279-V282 VanDerWaalsContact OG1-CG2 3.3Å; T279-V282 WeakPolarHBondContact OG1-CG2 2.85Å; T279-V282 PolarHBondContact OG1-N 3.04Å; V282-K284 PolarHBondContact O-N 2.95Å; V282-G285 PolarHBondContact O-N 3.5Å; V282-A286 WeakPolarHBondContact O-CB 3.38Å; V282-A286 PolarHBondContact O-N 2.74Å
283S92.7Very high91.9Very high27 Ų2748.9 Ų48.919%0.18925%0.246CC..Hα-helixtrans-61.5-43.9-179.3-980000112.8D278 T279 L287 R318D278-S283 PolarHBondContact OD1-OG 3.39Å; D278-S283 PolarHBondContact OD2-OG 2.8Å; T279-S283 PolarHBondContact O-N 2.61Å; S283-L287 WeakPolarHBondContact O-CB 3.44Å; S283-L287 PolarHBondContact O-N 3.19Å; S283-R318 PolarHBondContact OG-NE 3.26Å
284K93.3Very high91.6Very high105 Ų10548.2 Ų48.246%0.45724%0.243SC..Hα-helixtrans-68.9-42.4177.6-73.9-177.5-179.3173.20112.5E280 V282 L287 R288E280-K284 HydrophobicContact CG-CD 4.05Å; E280-K284 HydrophobicContact CG-CG 4.35Å; E280-K284 WeakPolarHBondContact O-CB 3.39Å; E280-K284 WeakPolarHBondContact O-CG 3.35Å; E280-K284 PolarHBondContact O-N 3.11Å; E280-K284 WeakPolarHBondContact OE1-CE 3.29Å; E280-K284 IonicContact OE1-NZ 3.65Å; E280-K284 PolarHBondContact OE1-NZ 3.23Å; V282-K284 PolarHBondContact O-N 2.95Å; K284-L287 PolarHBondContact O-N 3.24Å; K284-R288 PolarHBondContact O-N 3.19Å; K284-R288 VanDerWaalsContact O-N 3.13Å
285G93.7Very high91.3Very high2 Ų252 Ų522%0.02126%0.264CS..Hα-helixtrans-62.1-47175.400000111.5V281 V282 L287 R288 V289V281-G285 PolarHBondContact O-N 3.3Å; V282-G285 PolarHBondContact O-N 3.5Å; G285-L287 VanDerWaalsContact C-N 3.29Å; G285-L287 PolarHBondContact O-N 3.21Å; G285-R288 PolarHBondContact O-N 3.17Å; G285-R288 VanDerWaalsContact O-N 3.15Å; G285-V289 WeakPolarHBondContact O-CG2 3.48Å; G285-V289 PolarHBondContact O-N 3.29Å
286A94.4Very high91.1Very high0 Ų054.8 Ų54.80%028%0.276CS..Hα-helixtrans-58.7-39.717700000112.2W81 V282 S290 L314 I317 R318W81-A286 HydrophobicContact CH2-CB 3.9Å; W81-A286 HydrophobicContact CZ3-CB 4.27Å; V282-A286 WeakPolarHBondContact O-CB 3.38Å; V282-A286 PolarHBondContact O-N 2.74Å; A286-S290 VanDerWaalsContact O-CB 3.3Å; A286-S290 WeakPolarHBondContact O-CB 3.29Å; A286-S290 PolarHBondContact O-N 3.4Å; A286-S290 PolarHBondContact O-OG 3.48Å; A286-L314 HydrophobicContact CB-CD1 3.61Å; A286-I317 HydrophobicContact CB-CB 4.26Å; A286-I317 HydrophobicContact CB-CG2 3.47Å; A286-I317 VanDerWaalsContact CB-CG2 3.47Å; A286-R318 HydrophobicContact CB-CG 4.15Å
287L93.9Very high90.9Very high81 Ų8151.2 Ų51.242%0.42426%0.256SS..Hα-helixtrans-64.4-44.5176.1179.862.7000112S283 K284 G285 S290 H291 L314S283-L287 WeakPolarHBondContact O-CB 3.44Å; S283-L287 PolarHBondContact O-N 3.19Å; K284-L287 PolarHBondContact O-N 3.24Å; G285-L287 VanDerWaalsContact C-N 3.29Å; G285-L287 PolarHBondContact O-N 3.21Å; L287-S290 WeakPolarHBondContact O-CB 3.48Å; L287-S290 PolarHBondContact O-N 3.5Å; L287-H291 PolarHBondContact O-N 2.89Å; L287-L314 HydrophobicContact CB-CD1 4.31Å; L287-L314 HydrophobicContact CD1-CD2 4.23Å
288R94.4Very high90.9Very high103 Ų10350.2 Ų50.239%0.38925%0.251SS..Hα-helixtrans-64-45177-71.6-169.7-65.2-86.4-1.3112E78 K284 G285 S290 H291 N292E78-R288 IonicContact OE1-CZ 3.22Å; E78-R288 IonicContact OE1-NE 3.02Å; E78-R288 PolarHBondContact OE1-NE 3.48Å; E78-R288 IonicContact OE1-NH2 2.58Å; E78-R288 PolarHBondContact OE1-NH2 3.48Å; E78-R288 WeakPolarHBondContact OE2-CB 3.3Å; E78-R288 WeakPolarHBondContact OE2-CD 3.15Å; E78-R288 IonicContact OE2-NE 3.01Å; E78-R288 PolarHBondContact OE2-NE 2.72Å; K284-R288 PolarHBondContact O-N 3.19Å; K284-R288 VanDerWaalsContact O-N 3.13Å; G285-R288 PolarHBondContact O-N 3.17Å; G285-R288 VanDerWaalsContact O-N 3.15Å; R288-S290 VanDerWaalsContact C-N 3.31Å; R288-S290 PolarHBondContact O-N 3.31Å; R288-H291 PolarHBondContact O-N 2.62Å; R288-N292 PolarHBondContact O-N 3.24Å; R288-N292 PolarHBondContact O-ND2 3.12Å
289V95Very high91.2Very high0 Ų054 Ų540%026%0.264CS..Hα-helixtrans-60.6-42.4174.2177.10000110.7E78 W81 L82 L85 G285 H291 N292 V293 I317E78-V289 HydrophobicContact CB-CG2 4.1Å; E78-V289 HydrophobicContact CG-CG2 3.97Å; W81-V289 HydrophobicContact CB-CG2 4.06Å; W81-V289 HydrophobicContact CD2-CG2 4.16Å; W81-V289 HydrophobicContact CE3-CG2 3.93Å; W81-V289 HydrophobicContact CG-CG1 4.38Å; W81-V289 HydrophobicContact CG-CG2 4.21Å; L82-V289 HydrophobicContact CB-CG1 4.35Å; L82-V289 HydrophobicContact CD1-CG1 4.38Å; L85-V289 HydrophobicContact CD1-CG1 3.85Å; G285-V289 WeakPolarHBondContact O-CG2 3.48Å; G285-V289 PolarHBondContact O-N 3.29Å; V289-H291 VanDerWaalsContact C-N 3.31Å; V289-H291 PolarHBondContact O-N 3.05Å; V289-N292 PolarHBondContact O-N 3.18Å; V289-V293 HydrophobicContact CG1-CG2 4.32Å; V289-V293 VanDerWaalsContact O-CG2 3.32Å; V289-V293 WeakPolarHBondContact O-CG2 3.26Å; V289-V293 PolarHBondContact O-N 3.39Å; V289-I317 HydrophobicContact CB-CD1 4.11Å; V289-I317 HydrophobicContact CG1-CD1 3.71Å
290S94.1Very high90.9Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-59.5-42.6177.7-60.10000112.4A286 L287 R288 V293 C294 C310 L314A286-S290 VanDerWaalsContact O-CB 3.3Å; A286-S290 WeakPolarHBondContact O-CB 3.29Å; A286-S290 PolarHBondContact O-N 3.4Å; A286-S290 PolarHBondContact O-OG 3.48Å; L287-S290 WeakPolarHBondContact O-CB 3.48Å; L287-S290 PolarHBondContact O-N 3.5Å; R288-S290 VanDerWaalsContact C-N 3.31Å; R288-S290 PolarHBondContact O-N 3.31Å; S290-V293 PolarHBondContact O-N 3.26Å; S290-C294 WeakPolarHBondContact O-CB 3.38Å; S290-C294 PolarHBondContact O-N 2.64Å; S290-C310 WeakPolarHBondContact CB-O 3.06Å; S290-L314 WeakPolarHBondContact OG-CA 3.16Å; S290-L314 PolarHBondContact OG-N 3.35Å
291H93.1Very high90.2Very high84 Ų8454.7 Ų54.739%0.38927%0.267SS..Hα-helixtrans-63.7-44175.7-167.273.2000111.8L287 R288 V289 V293 C294 D295 H302L287-H291 PolarHBondContact O-N 2.89Å; R288-H291 PolarHBondContact O-N 2.62Å; V289-H291 VanDerWaalsContact C-N 3.31Å; V289-H291 PolarHBondContact O-N 3.05Å; H291-V293 PolarHBondContact O-N 2.71Å; H291-C294 WeakPolarHBondContact O-CB 3.25Å; H291-C294 PolarHBondContact O-N 3.01Å; H291-D295 WeakPolarHBondContact O-CB 3.17Å; H291-D295 PolarHBondContact O-N 2.8Å; H291-H302 AromaticContact CE1-CD2 3.95Å; H291-H302 AromaticContact CE1-CE1 3.42Å; H291-H302 PolarHBondContact CE1-CE1 3.03Å; H291-H302 VanDerWaalsContact CE1-CE1 3.42Å; H291-H302 AromaticContact CE1-CG 3.31Å; H291-H302 AromaticContact CE1-ND1 2.95Å; H291-H302 PolarHBondContact CE1-ND1 2.96Å; H291-H302 AromaticContact CE1-NE2 3.98Å; H291-H302 AromaticContact ND1-CE1 3.48Å; H291-H302 PolarHBondContact ND1-CE1 3.49Å; H291-H302 AromaticContact ND1-CG 3.82Å; H291-H302 AromaticContact ND1-ND1 3.51Å; H291-H302 AromaticContact ND1-NE2 3.78Å; H291-H302 AromaticContact NE2-ND1 3.58Å
292N92.8Very high89.7Confident46 Ų4652 Ų5225%0.24625%0.248CC..Hα-helixtrans-64-38.5176.7-73.9-26.4000112.9L82 R288 V289 C294 K296L82-N292 HydrophobicContact CD1-CB 3.92Å; L82-N292 HydrophobicContact CD2-CB 3.87Å; R288-N292 PolarHBondContact O-N 3.24Å; R288-N292 PolarHBondContact O-ND2 3.12Å; V289-N292 PolarHBondContact O-N 3.18Å; N292-C294 VanDerWaalsContact C-N 3.34Å; N292-K296 VanDerWaalsContact O-CB 3.28Å; N292-K296 WeakPolarHBondContact O-CB 3.43Å; N292-K296 WeakPolarHBondContact O-CG 3.19Å; N292-K296 PolarHBondContact O-N 2.86Å
293V91.9Very high88.5Confident0 Ų058.1 Ų58.10%028%0.28CS..Hα-helixtrans-60.9-47.5172.6172.40000109.7L82 T86 A109 V289 S290 H291 I297L82-V293 HydrophobicContact CD1-CB 4.48Å; L82-V293 HydrophobicContact CD1-CG2 3.57Å; T86-V293 HydrophobicContact CG2-CB 4.41Å; T86-V293 HydrophobicContact CG2-CG1 4.27Å; T86-V293 HydrophobicContact CG2-CG2 3.74Å; A109-V293 HydrophobicContact CB-CG1 3.91Å; V289-V293 HydrophobicContact CG1-CG2 4.32Å; V289-V293 VanDerWaalsContact O-CG2 3.32Å; V289-V293 WeakPolarHBondContact O-CG2 3.26Å; V289-V293 PolarHBondContact O-N 3.39Å; S290-V293 PolarHBondContact O-N 3.26Å; H291-V293 PolarHBondContact O-N 2.71Å; V293-I297 WeakPolarHBondContact O-CA 3.37Å; V293-I297 VanDerWaalsContact O-CB 3.25Å; V293-I297 WeakPolarHBondContact O-CB 3.24Å; V293-I297 PolarHBondContact O-N 2.82Å
294C91.2Very high87.2Confident1 Ų165.7 Ų65.71%0.00731%0.313CS..Iπ-helixtrans-62.6-48-178.4-165.20000111.9S290 H291 N292 L298 K299 H302 H309 C310S290-C294 WeakPolarHBondContact O-CB 3.38Å; S290-C294 PolarHBondContact O-N 2.64Å; H291-C294 WeakPolarHBondContact O-CB 3.25Å; H291-C294 PolarHBondContact O-N 3.01Å; N292-C294 VanDerWaalsContact C-N 3.34Å; C294-L298 CarbonylContact O-C 3.5Å; C294-L298 WeakPolarHBondContact O-CA 3.47Å; C294-L298 WeakPolarHBondContact O-CB 3.42Å; C294-L298 PolarHBondContact O-N 2.91Å; C294-L298 VanDerWaalsContact O-N 3.12Å; C294-K299 PolarHBondContact O-N 3.15Å; C294-H302 WeakPolarHBondContact CB-NE2 3.32Å; C294-H302 PolarHBondContact SG-NE2 3.22Å; C294-H309 VanDerWaalsContact SG-CB 3.58Å; C294-C310 VanDerWaalsContact CB-SG 3.56Å
295D89.5Confident86.5Confident86 Ų8664.2 Ų64.246%0.4633%0.328SS..Iπ-helixtrans-63.3-51.9178.8-176.241.3000112H291 K299H291-D295 WeakPolarHBondContact O-CB 3.17Å; H291-D295 PolarHBondContact O-N 2.8Å; D295-K299 WeakPolarHBondContact O-CA 3.38Å; D295-K299 PolarHBondContact O-N 2.86Å
296K87.5Confident86Confident115 Ų11569.6 Ų69.650%0.536%0.36SS..Iπ-helixtrans-77.2-38-172.9-64.7-175.8-176.91800113.9L82 N292L82-K296 HydrophobicContact CD2-CD 4.14Å; N292-K296 VanDerWaalsContact O-CB 3.28Å; N292-K296 WeakPolarHBondContact O-CB 3.43Å; N292-K296 WeakPolarHBondContact O-CG 3.19Å; N292-K296 PolarHBondContact O-N 2.86Å
297I87.2Confident85.8Confident32 Ų3270.8 Ų70.816%0.16437%0.368CS..Iπ-helixtrans-100.2-49.4-171.7-54.9-57.7000111.5T86 R107 A109 V293T86-I297 HydrophobicContact CG2-CD1 4.24Å; T86-I297 HydrophobicContact CG2-CG1 3.7Å; R107-I297 WeakPolarHBondContact CG-O 3.38Å; A109-I297 HydrophobicContact CB-CG2 4.39Å; V293-I297 WeakPolarHBondContact O-CA 3.37Å; V293-I297 VanDerWaalsContact O-CB 3.25Å; V293-I297 WeakPolarHBondContact O-CB 3.24Å; V293-I297 PolarHBondContact O-N 2.82Å
298L85.4Confident85.5Confident16 Ų1672 Ų728%0.08437%0.373CS..Iπ-helixtrans-82.6-28.2-176.5-58177.2000111.7R107 A109 C294 E300 H309R107-L298 HydrophobicContact CB-CD2 4.33Å; R107-L298 PolarHBondContact NH1-O 2.9Å; R107-L298 WeakPolarHBondContact O-CD2 3.01Å; A109-L298 HydrophobicContact CB-CD1 4.1Å; A109-L298 HydrophobicContact CB-CD2 3.73Å; A109-L298 HydrophobicContact CB-CG 3.98Å; C294-L298 CarbonylContact O-C 3.5Å; C294-L298 WeakPolarHBondContact O-CA 3.47Å; C294-L298 WeakPolarHBondContact O-CB 3.42Å; C294-L298 PolarHBondContact O-N 2.91Å; C294-L298 VanDerWaalsContact O-N 3.12Å; L298-E300 VanDerWaalsContact C-N 3.34Å; L298-E300 HydrophobicContact CB-CG 3.85Å; L298-H309 HydrophobicContact CD1-CB 3.55Å
299K84.7Confident85.3Confident147 Ų14769.6 Ų69.664%0.63937%0.366SS*.  trans6042.8-179.3-54.7-176.7179.4-175.30112.2C294 D295C294-K299 PolarHBondContact O-N 3.15Å; D295-K299 WeakPolarHBondContact O-CA 3.38Å; D295-K299 PolarHBondContact O-N 2.86Å
300E82.1Confident85.1Confident80 Ų8069.9 Ų69.937%0.37437%0.368SS..  trans-89.5145.5-179.6-66-67.1148.100111.1L298L298-E300 VanDerWaalsContact C-N 3.34Å; L298-E300 HydrophobicContact CB-CG 3.85Å
301D75.1Confident85Confident117 Ų11773.5 Ų73.563%0.62639%0.385SS*.  trans-82.7127.9173.8-168.7-7.2000110.1N303D301-N303 VanDerWaalsContact CG-ND2 3.26Å; D301-N303 VanDerWaalsContact OD1-CB 3.28Å; D301-N303 WeakPolarHBondContact OD1-CB 3.44Å; D301-N303 PolarHBondContact OD1-N 3.39Å; D301-N303 PolarHBondContact OD1-ND2 2.87Å; D301-N303 PolarHBondContact OD2-ND2 3.13Å
302H79.1Confident84.9Confident43 Ų4373.7 Ų73.720%0.19939%0.387CS..  trans-97.78.8-178.3-59126.5000113.5H291 C294 E304 C307 C310H291-H302 AromaticContact CE1-CD2 3.95Å; H291-H302 AromaticContact CE1-CE1 3.42Å; H291-H302 PolarHBondContact CE1-CE1 3.03Å; H291-H302 VanDerWaalsContact CE1-CE1 3.42Å; H291-H302 AromaticContact CE1-CG 3.31Å; H291-H302 AromaticContact CE1-ND1 2.95Å; H291-H302 PolarHBondContact CE1-ND1 2.96Å; H291-H302 AromaticContact CE1-NE2 3.98Å; H291-H302 AromaticContact ND1-CE1 3.48Å; H291-H302 PolarHBondContact ND1-CE1 3.49Å; H291-H302 AromaticContact ND1-CG 3.82Å; H291-H302 AromaticContact ND1-ND1 3.51Å; H291-H302 AromaticContact ND1-NE2 3.78Å; H291-H302 AromaticContact NE2-ND1 3.58Å; C294-H302 WeakPolarHBondContact CB-NE2 3.32Å; C294-H302 PolarHBondContact SG-NE2 3.22Å; H302-E304 PolarHBondContact O-N 3.31Å; H302-C307 VanDerWaalsContact CD2-SG 3.58Å; H302-C310 PolarHBondContact NE2-SG 2.9Å
303N67.6Low84.8Confident135 Ų13571.6 Ų71.672%0.72238%0.375SS*.SBendtrans-67.2-13.8-171.3-75.7-33.6000115.3D301D301-N303 VanDerWaalsContact CG-ND2 3.26Å; D301-N303 VanDerWaalsContact OD1-CB 3.28Å; D301-N303 WeakPolarHBondContact OD1-CB 3.44Å; D301-N303 PolarHBondContact OD1-N 3.39Å; D301-N303 PolarHBondContact OD1-ND2 2.87Å; D301-N303 PolarHBondContact OD2-ND2 3.13Å
304E65.3Low84.9Confident187 Ų18772.5 Ų72.587%0.87438%0.38SS*.SBendtrans-134.4113.2178.4-67.1-171.2178.800113.5H302H302-E304 PolarHBondContact O-N 3.31Å
305G77.6Confident85Confident74 Ų7476.6 Ų76.676%0.76341%0.405SS*.SBendtrans74-163.3168.400000115.6C307G305-C307 PolarHBondContact O-N 3.3Å
306V84.4Confident85.1Confident115 Ų11573.5 Ų73.570%0.69739%0.387SS*.SBendtrans-81.4113.1178.3178.90000108.8I308 Q311V306-I308 PolarHBondContact O-N 2.94Å; V306-Q311 HydrophobicContact CG1-CG 3.36Å; V306-Q311 VanDerWaalsContact CG1-NE2 3.35Å
307C89.4Confident85.3Confident24 Ų2468.1 Ų68.116%0.16236%0.364CS..  trans-63.5121.3177.5175.80000111.9H302 G305 H309 C310 Q311H302-C307 VanDerWaalsContact CD2-SG 3.58Å; G305-C307 PolarHBondContact O-N 3.3Å; C307-H309 VanDerWaalsContact C-N 3.33Å; C307-H309 PolarHBondContact O-N 2.94Å; C307-C310 HydrophobicContact CB-CB 3.9Å; C307-C310 WeakPolarHBondContact O-CB 3.36Å; C307-C310 PolarHBondContact O-N 3.32Å; C307-C310 VanDerWaalsContact SG-SG 3.7Å; C307-Q311 PolarHBondContact O-N 3.5Å; C307-Q311 VanDerWaalsContact O-N 3.12Å
308I88.6Confident85.6Confident107 Ų10771.2 Ų71.255%0.54937%0.373SS..Hα-helixtrans-58.9-43.4-179.2-17072000111.7V306 C310 Q311 E312V306-I308 PolarHBondContact O-N 2.94Å; I308-C310 VanDerWaalsContact C-N 3.35Å; I308-C310 PolarHBondContact O-N 3.19Å; I308-Q311 WeakPolarHBondContact O-CB 3.31Å; I308-Q311 PolarHBondContact O-N 2.68Å; I308-E312 WeakPolarHBondContact O-CG 3.41Å; I308-E312 PolarHBondContact O-N 2.92Å
309H89Confident85.9Confident52 Ų5273.1 Ų73.124%0.24139%0.386CS..Hα-helixtrans-66.6-37-179.5-62.2-60.5000112.5C294 L298 C307 Q311 C313C294-H309 VanDerWaalsContact SG-CB 3.58Å; L298-H309 HydrophobicContact CD1-CB 3.55Å; C307-H309 VanDerWaalsContact C-N 3.33Å; C307-H309 PolarHBondContact O-N 2.94Å; H309-Q311 VanDerWaalsContact C-N 3.31Å; H309-Q311 PolarHBondContact O-N 3.47Å; H309-C313 WeakPolarHBondContact O-CB 3.39Å; H309-C313 PolarHBondContact O-N 3.1Å
310C91.9Very high86.4Confident6 Ų666.2 Ų66.24%0.04136%0.356CS..Hα-helixtrans-61.6-40.4171.2-71.20000111.3S290 C294 H302 C307 I308 L314S290-C310 WeakPolarHBondContact CB-O 3.06Å; C294-C310 VanDerWaalsContact CB-SG 3.56Å; H302-C310 PolarHBondContact NE2-SG 2.9Å; C307-C310 HydrophobicContact CB-CB 3.9Å; C307-C310 WeakPolarHBondContact O-CB 3.36Å; C307-C310 PolarHBondContact O-N 3.32Å; C307-C310 VanDerWaalsContact SG-SG 3.7Å; I308-C310 VanDerWaalsContact C-N 3.35Å; I308-C310 PolarHBondContact O-N 3.19Å; C310-L314 WeakPolarHBondContact O-CB 3.36Å; C310-L314 PolarHBondContact O-N 2.86Å
311Q91.3Very high87.1Confident76 Ų7662.6 Ų62.636%0.35534%0.339SS..Hα-helixtrans-70.6-40.5179.8-67.5-58.8-44.500113.1V306 C307 I308 H309 L314 T315V306-Q311 HydrophobicContact CG1-CG 3.36Å; V306-Q311 VanDerWaalsContact CG1-NE2 3.35Å; C307-Q311 PolarHBondContact O-N 3.5Å; C307-Q311 VanDerWaalsContact O-N 3.12Å; I308-Q311 WeakPolarHBondContact O-CB 3.31Å; I308-Q311 PolarHBondContact O-N 2.68Å; H309-Q311 VanDerWaalsContact C-N 3.31Å; H309-Q311 PolarHBondContact O-N 3.47Å; Q311-L314 PolarHBondContact O-N 3.12Å; Q311-T315 PolarHBondContact O-N 2.85Å; Q311-T315 PolarHBondContact O-OG1 3.01Å
312E90.8Very high88.1Confident89 Ų8957 Ų5742%0.41631%0.309SS..Hα-helixtrans-66.2-43.8175.5-68.2180152.600111T111 I308 L314 T315 Y316T111-E312 HydrophobicContact CG2-CB 3.36Å; T111-E312 HydrophobicContact CG2-CG 4.4Å; T111-E312 VanDerWaalsContact CG2-OE2 3.32Å; T111-E312 WeakPolarHBondContact CG2-OE2 3.28Å; I308-E312 WeakPolarHBondContact O-CG 3.41Å; I308-E312 PolarHBondContact O-N 2.92Å; E312-L314 VanDerWaalsContact C-N 3.35Å; E312-L314 PolarHBondContact O-N 2.95Å; E312-T315 WeakPolarHBondContact O-CB 3.16Å; E312-T315 PolarHBondContact O-N 3.47Å; E312-Y316 PolarHBondContact O-N 2.91Å
313C92.3Very high89.1Confident2 Ų255.5 Ų55.51%0.01430%0.303CS..Hα-helixtrans-60.4-45173.5-169.50000111.1C110 H309 T315 Y316 I317C110-C313 HydrophobicContact CB-CB 4.19Å; C110-C313 VanDerWaalsContact CB-SG 3.55Å; H309-C313 WeakPolarHBondContact O-CB 3.39Å; H309-C313 PolarHBondContact O-N 3.1Å; C313-T315 VanDerWaalsContact C-N 3.27Å; C313-T315 PolarHBondContact O-N 3.01Å; C313-Y316 WeakPolarHBondContact O-CB 3.43Å; C313-Y316 PolarHBondContact O-N 3.18Å; C313-Y316 VanDerWaalsContact O-N 3.13Å; C313-I317 WeakPolarHBondContact O-CB 3.5Å; C313-I317 VanDerWaalsContact O-CG1 3.24Å; C313-I317 WeakPolarHBondContact O-CG1 3.46Å; C313-I317 PolarHBondContact O-N 3.17Å
314L93.3Very high90.5Very high19 Ų1949.1 Ų49.110%0.09927%0.268CS..Hα-helixtrans-57.9-41.8176.1176.763000111.6A286 L287 S290 C310 Q311 E312 I317 R318A286-L314 HydrophobicContact CB-CD1 3.61Å; L287-L314 HydrophobicContact CB-CD1 4.31Å; L287-L314 HydrophobicContact CD1-CD2 4.23Å; S290-L314 WeakPolarHBondContact OG-CA 3.16Å; S290-L314 PolarHBondContact OG-N 3.35Å; C310-L314 WeakPolarHBondContact O-CB 3.36Å; C310-L314 PolarHBondContact O-N 2.86Å; Q311-L314 PolarHBondContact O-N 3.12Å; E312-L314 VanDerWaalsContact C-N 3.35Å; E312-L314 PolarHBondContact O-N 2.95Å; L314-I317 PolarHBondContact O-N 3Å; L314-R318 HydrophobicContact CD1-CG 3.91Å; L314-R318 HydrophobicContact CG-CG 4.42Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 VanDerWaalsContact O-CG 3.31Å; L314-R318 WeakPolarHBondContact O-CG 3.36Å; L314-R318 PolarHBondContact O-N 3.49Å
315T92.2Very high92.1Very high87 Ų8741 Ų4153%0.53423%0.231SC..Hα-helixtrans-62.4-46.3177.4-59.30000111.1Q311 E312 C313 T319Q311-T315 PolarHBondContact O-N 2.85Å; Q311-T315 PolarHBondContact O-OG1 3.01Å; E312-T315 WeakPolarHBondContact O-CB 3.16Å; E312-T315 PolarHBondContact O-N 3.47Å; C313-T315 VanDerWaalsContact C-N 3.27Å; C313-T315 PolarHBondContact O-N 3.01Å; T315-T319 WeakPolarHBondContact O-CB 3.47Å; T315-T319 WeakPolarHBondContact O-CG2 3.44Å; T315-T319 PolarHBondContact O-N 3.02Å; T315-T319 PolarHBondContact O-OG1 2.93Å
316Y92.5Very high93.1Very high21 Ų2137.4 Ų37.48%0.08219%0.194CC..Hα-helixtrans-60.2-48.5175.8177.1-91.4000111.7L85 C110 Y115 E312 C313 R318 T319 T320L85-Y316 HydrophobicContact CD2-CD1 4.32Å; L85-Y316 HydrophobicContact CD2-CE1 3.72Å; C110-Y316 HydrophobicContact CB-CD1 3.64Å; C110-Y316 HydrophobicContact CB-CE1 4.4Å; C110-Y316 HydrophobicContact CB-CG 3.81Å; Y115-Y316 HydrophobicContact CD1-CE1 4.12Å; Y115-Y316 AromaticContact CD1-CZ 3.9Å; Y115-Y316 PolarHBondContact O-OH 2.84Å; E312-Y316 PolarHBondContact O-N 2.91Å; C313-Y316 WeakPolarHBondContact O-CB 3.43Å; C313-Y316 PolarHBondContact O-N 3.18Å; C313-Y316 VanDerWaalsContact O-N 3.13Å; Y316-R318 PolarHBondContact O-N 3.47Å; Y316-T319 CarbonylContact O-C 3.57Å; Y316-T319 PolarHBondContact O-N 2.86Å; Y316-T319 PolarHBondContact O-OG1 3.42Å; Y316-T320 HydrophobicContact CE1-CG2 4.26Å; Y316-T320 VanDerWaalsContact O-CB 3.29Å; Y316-T320 WeakPolarHBondContact O-CB 3.15Å; Y316-T320 PolarHBondContact O-N 3.48Å; Y316-T320 VanDerWaalsContact O-N 3.11Å; Y316-T320 PolarHBondContact O-OG1 3.04Å
317I92.8Very high93.8Very high1 Ų132.1 Ų32.11%0.00516%0.162CC..Hα-helixtrans-63.6-44.5-176.4-69-178.5000110.9W81 L85 A286 V289 C313 L314 T319 T320W81-I317 HydrophobicContact CD2-CG2 4.36Å; W81-I317 VanDerWaalsContact CE2-CG2 3.44Å; W81-I317 HydrophobicContact CH2-CG2 3.57Å; W81-I317 HydrophobicContact CZ2-CB 4.46Å; W81-I317 HydrophobicContact CZ2-CG2 3.02Å; W81-I317 HydrophobicContact CZ3-CG2 4.41Å; L85-I317 HydrophobicContact CD1-CD1 3.47Å; L85-I317 VanDerWaalsContact CD1-CD1 3.47Å; L85-I317 HydrophobicContact CD1-CG1 3.58Å; A286-I317 HydrophobicContact CB-CB 4.26Å; A286-I317 HydrophobicContact CB-CG2 3.47Å; A286-I317 VanDerWaalsContact CB-CG2 3.47Å; V289-I317 HydrophobicContact CB-CD1 4.11Å; V289-I317 HydrophobicContact CG1-CD1 3.71Å; C313-I317 WeakPolarHBondContact O-CB 3.5Å; C313-I317 VanDerWaalsContact O-CG1 3.24Å; C313-I317 WeakPolarHBondContact O-CG1 3.46Å; C313-I317 PolarHBondContact O-N 3.17Å; L314-I317 PolarHBondContact O-N 3Å; I317-T319 PolarHBondContact O-N 3.38Å; I317-T320 PolarHBondContact O-N 3Å
318R92.2Very high94.2Very high97 Ų9731.2 Ų31.237%0.36616%0.155SC..Hα-helixtrans-67.2-22.4177.6-72.7-179.764.6-170.8-7.3113.4P219 D278 S283 A286 L314 Y316P219-R318 VanDerWaalsContact CG-O 3.29Å; P219-R318 WeakPolarHBondContact CG-O 3.42Å; D278-R318 IonicContact OD1-CZ 3.99Å; D278-R318 IonicContact OD1-NE 3.59Å; D278-R318 IonicContact OD1-NH2 2.6Å; D278-R318 IonicContact OD2-CZ 2.68Å; D278-R318 VanDerWaalsContact OD2-CZ 3.22Å; D278-R318 IonicContact OD2-NE 3.34Å; D278-R318 IonicContact OD2-NH1 3.49Å; D278-R318 IonicContact OD2-NH2 3.36Å; D278-R318 PolarHBondContact OD2-NH2 3.42Å; S283-R318 PolarHBondContact OG-NE 3.26Å; A286-R318 HydrophobicContact CB-CG 4.15Å; L314-R318 HydrophobicContact CD1-CG 3.91Å; L314-R318 HydrophobicContact CG-CG 4.42Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 VanDerWaalsContact O-CG 3.31Å; L314-R318 WeakPolarHBondContact O-CG 3.36Å; L314-R318 PolarHBondContact O-N 3.49Å; Y316-R318 PolarHBondContact O-N 3.47Å
319T92.2Very high94.6Very high57 Ų5726.2 Ų26.235%0.3513%0.129SC..THydrogen-bonded Turntrans-103.214.4178.559.40000113.4F275 T315 Y316 I317F275-T319 VanDerWaalsContact CE1-C 3.41Å; F275-T319 WeakPolarHBondContact CE1-O 3.42Å; T315-T319 WeakPolarHBondContact O-CB 3.47Å; T315-T319 WeakPolarHBondContact O-CG2 3.44Å; T315-T319 PolarHBondContact O-N 3.02Å; T315-T319 PolarHBondContact O-OG1 2.93Å; Y316-T319 CarbonylContact O-C 3.57Å; Y316-T319 PolarHBondContact O-N 2.86Å; Y316-T319 PolarHBondContact O-OG1 3.42Å; I317-T319 PolarHBondContact O-N 3.38Å
320T94.6Very high94.9Very high1 Ų124.8 Ų24.81%0.00612%0.123CC..  trans-133.6120179-55.90000110.4Y190 Y191 R192 P219 Y316 I317 I322Y190-T320 HydrophobicContact CD1-CG2 4.25Å; Y191-T320 CarbonylContact O-C 3.58Å; Y191-T320 WeakPolarHBondContact O-CA 3.13Å; R192-T320 HydrophobicContact CG-CG2 4.1Å; P219-T320 WeakPolarHBondContact CD-O 3.38Å; Y316-T320 HydrophobicContact CE1-CG2 4.26Å; Y316-T320 VanDerWaalsContact O-CB 3.29Å; Y316-T320 WeakPolarHBondContact O-CB 3.15Å; Y316-T320 PolarHBondContact O-N 3.48Å; Y316-T320 VanDerWaalsContact O-N 3.11Å; Y316-T320 PolarHBondContact O-OG1 3.04Å; I317-T320 PolarHBondContact O-N 3Å; T320-I322 HydrophobicContact CG2-CG1 4.2Å
321R96.6Very high94.9Very high4 Ų426.7 Ų26.72%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-88.2132.3164.8170.9-172-178.489.2-4108.7Y191 S216 F217 P219 L251 I273Y191-R321 PolarHBondContact N-O 3.29Å; Y191-R321 PolarHBondContact O-N 2.64Å; S216-R321 PolarHBondContact OG-NH2 3.46Å; F217-R321 WeakPolarHBondContact O-CA 3.44Å; F217-R321 WeakPolarHBondContact O-CG 3.3Å; P219-R321 WeakPolarHBondContact O-CD 3.47Å; P219-R321 PolarHBondContact O-NH1 2.85Å; L251-R321 PolarHBondContact O-NH1 3.13Å; I273-R321 HydrophobicContact CG2-CB 4.09Å
322I97.4Very high94.6Very high1 Ų126.5 Ų26.51%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-108.5137.9174.1-59.2-180000108.7A84 L85 V188 N189 Y190 F217 T320 M324A84-I322 HydrophobicContact CB-CD1 4.21Å; A84-I322 HydrophobicContact CB-CG2 4.26Å; L85-I322 HydrophobicContact CD2-CD1 3.75Å; L85-I322 HydrophobicContact CG-CD1 3.96Å; V188-I322 HydrophobicContact CG1-CG2 3.79Å; N189-I322 WeakPolarHBondContact O-CA 3.45Å; Y190-I322 HydrophobicContact CD1-CD1 4.04Å; Y190-I322 HydrophobicContact CD1-CG1 3.91Å; Y190-I322 HydrophobicContact CE1-CD1 3.78Å; Y190-I322 HydrophobicContact CE1-CG1 4.1Å; F217-I322 PolarHBondContact N-O 3.39Å; F217-I322 PolarHBondContact O-N 3.05Å; T320-I322 HydrophobicContact CG2-CG1 4.2Å; I322-M324 HydrophobicContact CG2-CE 4.01Å; I322-M324 HydrophobicContact CG2-CG 4.46Å
323N98.2Very high93.7Very high11 Ų1129.9 Ų29.96%0.05916%0.155CC..EExtended strand (participates in β ladder)trans-135.8129.8176.1165.5-121000110.1V188 N189 Y191 S214 I215 N325V188-N323 CarbonylContact C-O 3.58Å; V188-N323 VanDerWaalsContact CA-O 3.3Å; V188-N323 WeakPolarHBondContact CA-O 3.4Å; N189-N323 HydrophobicContact CB-CB 4.5Å; N189-N323 PolarHBondContact N-O 2.96Å; N189-N323 PolarHBondContact O-N 3.29Å; Y191-N323 HydrophobicContact CD2-CB 4.44Å; Y191-N323 HydrophobicContact CE2-CB 3.96Å; S214-N323 PolarHBondContact OG-ND2 3.41Å; I215-N323 CarbonylContact O-C 3.46Å; I215-N323 VanDerWaalsContact O-CA 3.24Å; I215-N323 WeakPolarHBondContact O-CA 3.33Å; I215-N323 PolarHBondContact O-ND2 2.93Å; I215-N323 VanDerWaalsContact O-ND2 3.14Å; N323-N325 PolarHBondContact OD1-ND2 2.86Å
324M98.4Very high92Very high0 Ų040 Ų400%019%0.193CC..EExtended strand (participates in β ladder)trans-114.1113.5-177.3-53.7166.6-175.700108.3L80 A84 W88 L146 V188 S214 I215 F217 I322 I326L80-M324 HydrophobicContact CB-CE 4.42Å; A84-M324 HydrophobicContact CB-CE 3.56Å; W88-M324 HydrophobicContact CH2-CE 3.52Å; W88-M324 HydrophobicContact CH2-CG 4.38Å; W88-M324 HydrophobicContact CH2-SD 3.52Å; W88-M324 VanDerWaalsContact CH2-SD 3.52Å; W88-M324 HydrophobicContact CZ3-CE 3.5Å; W88-M324 VanDerWaalsContact CZ3-CE 3.5Å; W88-M324 HydrophobicContact CZ3-CG 4.09Å; W88-M324 HydrophobicContact CZ3-SD 3.78Å; L146-M324 HydrophobicContact CD1-SD 4.16Å; V188-M324 HydrophobicContact CG1-CG 4.14Å; V188-M324 HydrophobicContact CG2-CG 4.23Å; S214-M324 CarbonylContact C-O 3.58Å; S214-M324 VanDerWaalsContact CA-O 3.28Å; S214-M324 WeakPolarHBondContact CA-O 3.32Å; I215-M324 HydrophobicContact CB-CB 4.34Å; I215-M324 PolarHBondContact N-O 3.12Å; I215-M324 PolarHBondContact O-N 3.06Å; F217-M324 HydrophobicContact CD2-CE 3.67Å; F217-M324 HydrophobicContact CE2-CE 3.39Å; F217-M324 HydrophobicContact CE2-SD 3.88Å; I322-M324 HydrophobicContact CG2-CE 4.01Å; I322-M324 HydrophobicContact CG2-CG 4.46Å; M324-I326 HydrophobicContact CB-CD1 3.99Å; M324-I326 WeakPolarHBondContact O-CD1 3.33Å
325N98.5Very high92Very high16 Ų1641.1 Ų41.19%0.08620%0.198CC..EExtended strand (participates in β ladder)trans-104.1103.6179.1-61.2-75.7000109.8S186 I187 N189 V213 S214 N323S186-N325 CarbonylContact C-O 3.59Å; S186-N325 VanDerWaalsContact CA-O 3.23Å; S186-N325 WeakPolarHBondContact CA-O 3.35Å; I187-N325 PolarHBondContact N-O 2.86Å; I187-N325 PolarHBondContact O-N 3.4Å; I187-N325 PolarHBondContact O-ND2 2.84Å; N189-N325 PolarHBondContact ND2-ND2 2.83Å; V213-N325 CarbonylContact O-C 3.54Å; V213-N325 WeakPolarHBondContact O-CA 3.47Å; S214-N325 WeakPolarHBondContact CB-OD1 3.16Å; S214-N325 PolarHBondContact OG-OD1 2.93Å; N323-N325 PolarHBondContact OD1-ND2 2.86Å
326I98.8Very high92Very high0 Ų038.7 Ų38.70%018%0.18CC..EExtended strand (participates in β ladder)trans-99.8138-176.2-51.195.5000110F142 L146 T150 Y181 P183 A185 V213 I215 M324F142-I326 HydrophobicContact CE2-CG2 4.23Å; F142-I326 HydrophobicContact CZ-CG2 3.71Å; L146-I326 HydrophobicContact CD1-CD1 4.01Å; L146-I326 HydrophobicContact CD1-CG1 4.05Å; L146-I326 HydrophobicContact CD2-CG1 3.99Å; L146-I326 HydrophobicContact CG-CG1 4.07Å; T150-I326 HydrophobicContact CG2-CB 4.18Å; T150-I326 HydrophobicContact CG2-CG2 3.8Å; Y181-I326 PolarHBondContact OH-O 2.82Å; P183-I326 HydrophobicContact CB-CG2 3.74Å; A185-I326 WeakPolarHBondContact O-CA 3.36Å; V213-I326 HydrophobicContact CB-CB 4.41Å; V213-I326 HydrophobicContact CG1-CD1 4.38Å; V213-I326 PolarHBondContact N-O 3.01Å; V213-I326 PolarHBondContact O-N 2.58Å; I215-I326 HydrophobicContact CD1-CD1 3.91Å; I215-I326 HydrophobicContact CG1-CD1 4.17Å; M324-I326 HydrophobicContact CB-CD1 3.99Å; M324-I326 WeakPolarHBondContact O-CD1 3.33Å
327R98.1Very high91.9Very high4 Ų439.7 Ų39.72%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-146.9149.2-172.560.9-164.564.4-162.24.4110.3Y134 E184 A185 D202 E205 V329Y134-R327 WeakPolarHBondContact OH-CD 3.41Å; Y134-R327 PolarHBondContact OH-NE 3.28Å; Y134-R327 PolarHBondContact OH-NH1 2.88Å; E184-R327 PolarHBondContact N-O 2.8Å; A185-R327 HydrophobicContact CB-CG 3.66Å; A185-R327 PolarHBondContact N-O 3.48Å; A185-R327 WeakPolarHBondContact O-CG 3.36Å; A185-R327 PolarHBondContact O-N 3.14Å; D202-R327 IonicContact OD1-CZ 3Å; D202-R327 IonicContact OD1-NH1 3.69Å; D202-R327 PolarHBondContact OD1-NH1 3.48Å; D202-R327 IonicContact OD1-NH2 3.68Å; D202-R327 PolarHBondContact OD1-NH2 3.44Å; E205-R327 HydrophobicContact CG-CB 4.2Å; E205-R327 HydrophobicContact CG-CG 4.22Å; E205-R327 WeakPolarHBondContact OE1-CD 3.41Å; E205-R327 IonicContact OE1-CZ 3.26Å; E205-R327 IonicContact OE1-NE 3.24Å; E205-R327 PolarHBondContact OE1-NE 3.42Å; E205-R327 IonicContact OE1-NH1 2.75Å; E205-R327 PolarHBondContact OE1-NH1 2.95Å; R327-V329 HydrophobicContact CG-CG2 4.3Å
328Q98.1Very high91.9Very high5 Ų541.9 Ų41.92%0.02320%0.196CC..  trans-85.8134.4158.6-177.6174.3-50.800107.5N180 Y181 T182 E205 D207 A210 M330N180-Q328 PolarHBondContact O-OE1 3.4Å; Y181-Q328 VanDerWaalsContact CA-OE1 3.27Å; Y181-Q328 HydrophobicContact CD2-CB 4.33Å; Y181-Q328 HydrophobicContact CE2-CB 4.04Å; T182-Q328 WeakPolarHBondContact O-CA 3.44Å; T182-Q328 VanDerWaalsContact O-CB 3.25Å; T182-Q328 WeakPolarHBondContact O-CB 2.89Å; T182-Q328 WeakPolarHBondContact O-CG 2.97Å; E205-Q328 WeakPolarHBondContact CG-O 3.44Å; D207-Q328 PolarHBondContact OD2-NE2 3.25Å; A210-Q328 HydrophobicContact CB-CB 3.68Å; A210-Q328 HydrophobicContact CB-CG 4.32Å; Q328-M330 VanDerWaalsContact CG-O 3.29Å; Q328-M330 WeakPolarHBondContact CG-O 3.48Å; Q328-M330 PolarHBondContact NE2-O 3.18Å
329V97.2Very high91.9Very high1 Ų138.5 Ų38.51%0.00619%0.185CC..  trans-97.5-43.3-175.4175.80000110.7Y125 Y134 E184 A185 V206 D207 R327Y125-V329 HydrophobicContact CD1-CG1 4.34Å; Y125-V329 HydrophobicContact CD2-CB 4.26Å; Y125-V329 HydrophobicContact CD2-CG2 4.2Å; Y125-V329 HydrophobicContact CG-CB 4.34Å; Y125-V329 HydrophobicContact CG-CG1 4.34Å; Y125-V329 HydrophobicContact CG-CG2 4.21Å; Y134-V329 HydrophobicContact CD1-CG1 4.43Å; Y134-V329 HydrophobicContact CD1-CG2 4.16Å; Y134-V329 HydrophobicContact CD2-CG1 3.94Å; Y134-V329 HydrophobicContact CD2-CG2 4.1Å; Y134-V329 HydrophobicContact CE1-CG2 4.38Å; Y134-V329 HydrophobicContact CE2-CG2 4.36Å; Y134-V329 HydrophobicContact CG-CG1 3.66Å; Y134-V329 HydrophobicContact CG-CG2 4Å; E184-V329 HydrophobicContact CB-CB 4.37Å; E184-V329 HydrophobicContact CB-CG2 4.21Å; E184-V329 WeakPolarHBondContact OE2-CA 3.49Å; E184-V329 PolarHBondContact OE2-N 2.89Å; A185-V329 HydrophobicContact CB-CG2 3.56Å; V206-V329 WeakPolarHBondContact CA-O 3.34Å; V206-V329 WeakPolarHBondContact CB-O 3.28Å; V206-V329 PolarHBondContact N-O 3.29Å; D207-V329 PolarHBondContact N-O 2.6Å; R327-V329 HydrophobicContact CG-CG2 4.3Å
330M94.8Very high91.8Very high23 Ų2337.3 Ų37.311%0.11317%0.174CC..SBendtrans-106.2144.5-173.8-60.5-59.3-70.300111.1Y125 E136 E184 V206 Q328Y125-M330 HydrophobicContact CE1-CG 4.48Å; E136-M330 VanDerWaalsContact OE1-CE 3.26Å; E136-M330 WeakPolarHBondContact OE1-CE 3.03Å; E184-M330 PolarHBondContact OE2-N 2.98Å; V206-M330 HydrophobicContact CB-SD 4.19Å; V206-M330 HydrophobicContact CG2-SD 3.79Å; Q328-M330 VanDerWaalsContact CG-O 3.29Å; Q328-M330 WeakPolarHBondContact CG-O 3.48Å; Q328-M330 PolarHBondContact NE2-O 3.18Å
331P91.9Very high91.6Very high45 Ų4539.9 Ų39.929%0.29219%0.186SC..  trans-68.1150.317129.1-34.2000110.2V206 D207 H333V206-P331 HydrophobicContact CG1-CG 4.42Å; D207-P331 HydrophobicContact CB-CB 4.47Å; P331-H333 VanDerWaalsContact C-N 3.25Å; P331-H333 PolarHBondContact O-N 3.43Å
332V85.6Confident91.3Very high73 Ų7342.6 Ų42.644%0.44220%0.2SC..SBendtrans-65.1-30.4-177.1176.20000112.4N180N180-V332 HydrophobicContact CB-CB 4.33Å; N180-V332 HydrophobicContact CB-CG1 4.35Å; N180-V332 HydrophobicContact CB-CG2 3.54Å; N180-V332 WeakPolarHBondContact O-CG2 3.28Å
333H72.3Confident90.8Very high160 Ų16046.1 Ų46.174%0.74122%0.216SC*.  trans-112.1108175.3-57.8-43.9000108.9P331P331-H333 VanDerWaalsContact C-N 3.25Å; P331-H333 PolarHBondContact O-N 3.43Å
334R57Low90.1Very high215 Ų21549.3 Ų49.381%0.81123%0.23SC*.  trans-77.60173.7-70-172.2-175.8-161.9-2.6111.8E136E136-R334 VanDerWaalsContact CD-NH1 3.32Å; E136-R334 IonicContact OE1-CZ 3.1Å; E136-R334 VanDerWaalsContact OE1-CZ 3.25Å; E136-R334 IonicContact OE1-NH1 3.6Å; E136-R334 PolarHBondContact OE1-NH1 2.94Å; E136-R334 IonicContact OE1-NH2 2.67Å; E136-R334 PolarHBondContact OE1-NH2 2.8Å; E136-R334 IonicContact OE2-CZ 3.98Å; E136-R334 IonicContact OE2-NH1 3.94Å; E136-R334 PolarHBondContact OE2-NH1 3.03Å; E136-R334 IonicContact OE2-NH2 3.31Å; E136-R334 PolarHBondContact OE2-NH2 3.16Å

Retrieved 334 of 334 residues in 175.5 ms (Link to these results)

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