A0A061IC25_CRIGR Loading...

CUE domain containing 2

AlphaFold DB , UniProt , Accession A0A061IC25, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cuedc2, Length 286 aa.

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

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
1M63.6Low86.6Confident167 Ų16766.9 Ų66.982%0.82333%0.332SS*.  0-63.40-66.5-70.5-149.700113.7E4 R5M1-E4 WeakPolarHBondContact CA-OE2 3.05Å; M1-E4 PolarHBondContact N-OE2 3.13Å; M1-E4 PolarHBondContact O-N 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.25Å; M1-R5 PolarHBondContact O-N 2.99Å
2E82.9Confident86.9Confident153 Ų15365.8 Ų65.872%0.71533%0.328SS*.Hα-helixtrans-63.4-44.8-178.6-16490.7-156.200112.1R5 I6E2-R5 WeakPolarHBondContact O-CB 3.26Å; E2-R5 PolarHBondContact O-N 3.02Å; E2-I6 WeakPolarHBondContact O-CG1 3.49Å; E2-I6 PolarHBondContact O-N 3.25Å; E2-I6 VanDerWaalsContact O-N 3.07Å
3L85.3Confident87.3Confident42 Ų4264.5 Ų64.522%0.2233%0.334CS..Hα-helixtrans-62-44177.7-68.4155.8000112.1R5 I6 V7 L36 L87 A90L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.39Å; L3-I6 WeakPolarHBondContact O-CB 3.41Å; L3-I6 PolarHBondContact O-N 2.93Å; L3-I6 VanDerWaalsContact O-N 3.09Å; L3-V7 WeakPolarHBondContact O-CG2 3.46Å; L3-V7 PolarHBondContact O-N 2.73Å; L3-L36 HydrophobicContact CB-CD1 4.26Å; L3-L36 HydrophobicContact CB-CD2 4.39Å; L3-L87 HydrophobicContact CB-CD2 4.03Å; L3-L87 HydrophobicContact CD2-CB 4.24Å; L3-L87 HydrophobicContact CD2-CD2 3.5Å; L3-L87 HydrophobicContact CD2-CG 4.47Å; L3-L87 HydrophobicContact CG-CD2 4.39Å; L3-A90 HydrophobicContact CD2-CB 4.33Å
4E85.6Confident87.7Confident41 Ų4161.4 Ų61.419%0.19232%0.317CS..Hα-helixtrans-64.7-32.7175.5-66.1156.8155.400112M1 I6 V7 S8 L36M1-E4 WeakPolarHBondContact CA-OE2 3.05Å; M1-E4 PolarHBondContact N-OE2 3.13Å; M1-E4 PolarHBondContact O-N 3.29Å; E4-I6 VanDerWaalsContact C-N 3.34Å; E4-V7 PolarHBondContact O-N 2.91Å; E4-S8 VanDerWaalsContact O-CB 3.29Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.03Å; E4-S8 PolarHBondContact O-OG 3.4Å; E4-L36 HydrophobicContact CG-CD2 3.9Å
5R88.7Confident87.9Confident182 Ų18257.3 Ų57.369%0.68730%0.296SS*.Hα-helixtrans-65.6-37.6171.5-77.9-153.371.194.16.6112.2M1 E2 L3 S8 S9M1-R5 WeakPolarHBondContact O-CG 3.25Å; M1-R5 PolarHBondContact O-N 2.99Å; E2-R5 WeakPolarHBondContact O-CB 3.26Å; E2-R5 PolarHBondContact O-N 3.02Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.39Å; R5-S8 VanDerWaalsContact CA-OG 3.32Å; R5-S8 WeakPolarHBondContact CA-OG 3.36Å; R5-S8 PolarHBondContact O-OG 3.43Å; R5-S8 VanDerWaalsContact O-OG 3.06Å; R5-S9 VanDerWaalsContact O-CB 3.26Å; R5-S9 WeakPolarHBondContact O-CB 3.13Å; R5-S9 PolarHBondContact O-N 3.42Å; R5-S9 PolarHBondContact O-OG 3.25Å; R5-S9 VanDerWaalsContact O-OG 3.06Å
6I90.3Very high88Confident37 Ų3761.1 Ų61.119%0.1931%0.312CS..Hα-helixtrans-64.8-51.8175-64.6166.2000109.3E2 L3 E4 S8 S9 A10 Q86 L87 A90E2-I6 WeakPolarHBondContact O-CG1 3.49Å; E2-I6 PolarHBondContact O-N 3.25Å; E2-I6 VanDerWaalsContact O-N 3.07Å; L3-I6 WeakPolarHBondContact O-CB 3.41Å; L3-I6 PolarHBondContact O-N 2.93Å; L3-I6 VanDerWaalsContact O-N 3.09Å; E4-I6 VanDerWaalsContact C-N 3.34Å; I6-S8 PolarHBondContact O-N 3.19Å; I6-S9 PolarHBondContact O-N 3.43Å; I6-S9 PolarHBondContact O-OG 3.02Å; I6-A10 WeakPolarHBondContact O-CB 3.2Å; I6-A10 PolarHBondContact O-N 3.34Å; I6-Q86 HydrophobicContact CG2-CB 4.4Å; I6-L87 HydrophobicContact CB-CD2 4.26Å; I6-L87 HydrophobicContact CG2-CD2 4.2Å; I6-A90 HydrophobicContact CD1-CB 3.48Å; I6-A90 VanDerWaalsContact CD1-CB 3.48Å
7V91.5Very high88.1Confident0 Ų063.4 Ų63.40%033%0.329CS..Hα-helixtrans-56.7-52.2178176.30000111.3L3 E4 S9 A10 L11 V35 L36 L39 L87L3-V7 WeakPolarHBondContact O-CG2 3.46Å; L3-V7 PolarHBondContact O-N 2.73Å; E4-V7 PolarHBondContact O-N 2.91Å; V7-S9 PolarHBondContact O-N 3.09Å; V7-A10 PolarHBondContact O-N 3.17Å; V7-L11 WeakPolarHBondContact O-CB 3.22Å; V7-L11 PolarHBondContact O-N 3.46Å; V7-V35 HydrophobicContact CG1-CB 4.05Å; V7-V35 HydrophobicContact CG1-CG1 3.65Å; V7-L36 HydrophobicContact CG2-CB 4.4Å; V7-L36 HydrophobicContact CG2-CD1 3.96Å; V7-L39 HydrophobicContact CG2-CD1 4.17Å; V7-L87 HydrophobicContact CG2-CD1 3.93Å; V7-L87 HydrophobicContact CG2-CD2 3.93Å; V7-L87 HydrophobicContact CG2-CG 4.42Å
8S90.9Very high88.2Confident19 Ų1963.4 Ų63.413%0.13333%0.327CS..Hα-helixtrans-59.9-47-179.654.90000112.1E4 R5 I6 A10 L12E4-S8 VanDerWaalsContact O-CB 3.29Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.03Å; E4-S8 PolarHBondContact O-OG 3.4Å; R5-S8 VanDerWaalsContact CA-OG 3.32Å; R5-S8 WeakPolarHBondContact CA-OG 3.36Å; R5-S8 PolarHBondContact O-OG 3.43Å; R5-S8 VanDerWaalsContact O-OG 3.06Å; I6-S8 PolarHBondContact O-N 3.19Å; S8-A10 PolarHBondContact O-N 3.46Å; S8-L12 VanDerWaalsContact O-CB 3.28Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 WeakPolarHBondContact O-CD1 3.49Å; S8-L12 WeakPolarHBondContact O-CG 3.38Å; S8-L12 PolarHBondContact O-N 3.26Å
9S91.2Very high88.2Confident70 Ų7061.9 Ų61.949%0.4932%0.32SS..Hα-helixtrans-62.5-41.8-17968.80000113.1R5 I6 V7 A13R5-S9 VanDerWaalsContact O-CB 3.26Å; R5-S9 WeakPolarHBondContact O-CB 3.13Å; R5-S9 PolarHBondContact O-N 3.42Å; R5-S9 PolarHBondContact O-OG 3.25Å; R5-S9 VanDerWaalsContact O-OG 3.06Å; I6-S9 PolarHBondContact O-N 3.43Å; I6-S9 PolarHBondContact O-OG 3.02Å; V7-S9 PolarHBondContact O-N 3.09Å; S9-A13 WeakPolarHBondContact O-CB 3.35Å; S9-A13 PolarHBondContact O-N 3.06Å
10A91.6Very high87.8Confident25 Ų2564.5 Ų64.521%0.20734%0.341CS..Hα-helixtrans-78.8-36.4-177.300000112.4I6 V7 S8 A13 F14 L83I6-A10 WeakPolarHBondContact O-CB 3.2Å; I6-A10 PolarHBondContact O-N 3.34Å; V7-A10 PolarHBondContact O-N 3.17Å; S8-A10 PolarHBondContact O-N 3.46Å; A10-A13 PolarHBondContact O-N 3.11Å; A10-F14 WeakPolarHBondContact O-CB 3.19Å; A10-F14 PolarHBondContact O-N 2.69Å; A10-L83 HydrophobicContact CB-CD2 3.26Å; A10-L83 HydrophobicContact CB-CG 4.29Å
11L91.1Very high87.6Confident0 Ų070.5 Ų70.50%037%0.367CS..Hα-helixtrans-64.4-45.8173.1-173.966.4000110.9V7 A13 F14 V15 L27 F32 V35 M61 M79V7-L11 WeakPolarHBondContact O-CB 3.22Å; V7-L11 PolarHBondContact O-N 3.46Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.33Å; L11-F14 PolarHBondContact O-N 2.9Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.22Å; L11-L27 HydrophobicContact CD2-CD2 4.43Å; L11-F32 HydrophobicContact CD2-CD1 4.3Å; L11-F32 HydrophobicContact CD2-CE1 4.1Å; L11-V35 HydrophobicContact CD2-CG2 4.36Å; L11-M61 HydrophobicContact CD1-CE 4.13Å; L11-M61 HydrophobicContact CD2-CE 4.01Å; L11-M61 HydrophobicContact CG-CE 4.48Å; L11-M79 HydrophobicContact CD1-CE 4.44Å; L11-M79 HydrophobicContact CD1-SD 3.97Å
12L90.7Very high88.6Confident53 Ų5363.7 Ų63.728%0.27734%0.337SS..Hα-helixtrans-61.5-42.8176.5-69.2169.8000111.4S8 V15 Q16 L24 L27S8-L12 VanDerWaalsContact O-CB 3.28Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 WeakPolarHBondContact O-CD1 3.49Å; S8-L12 WeakPolarHBondContact O-CG 3.38Å; S8-L12 PolarHBondContact O-N 3.26Å; L12-V15 PolarHBondContact O-N 3.07Å; L12-Q16 WeakPolarHBondContact O-CB 3.3Å; L12-Q16 VanDerWaalsContact O-CG 3.22Å; L12-Q16 WeakPolarHBondContact O-CG 3.32Å; L12-Q16 PolarHBondContact O-N 3.13Å; L12-L24 HydrophobicContact CD2-CB 3.77Å; L12-L24 HydrophobicContact CD2-CD1 3.6Å; L12-L24 HydrophobicContact CD2-CD2 4.24Å; L12-L24 HydrophobicContact CD2-CG 4.06Å; L12-L27 HydrophobicContact CD2-CD1 3.79Å
13A91.4Very high88.6Confident49 Ų4961.4 Ų61.441%0.40533%0.33SS..Hα-helixtrans-62.2-44.3175.900000111.8S9 A10 L11 Q16 T17S9-A13 WeakPolarHBondContact O-CB 3.35Å; S9-A13 PolarHBondContact O-N 3.06Å; A10-A13 PolarHBondContact O-N 3.11Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.33Å; A13-Q16 PolarHBondContact O-N 2.9Å; A13-T17 VanDerWaalsContact O-CG2 3.32Å; A13-T17 WeakPolarHBondContact O-CG2 3.39Å; A13-T17 PolarHBondContact O-N 2.9Å; A13-T17 PolarHBondContact O-OG1 3.13Å
14F92.7Very high88.5Confident22 Ų2261 Ų6110%0.09633%0.327CS..Hα-helixtrans-60.9-49.2177.4177.6-101.2000111.8A10 L11 Q16 T17 H18 F68 I71 M75 I76 M79A10-F14 WeakPolarHBondContact O-CB 3.19Å; A10-F14 PolarHBondContact O-N 2.69Å; L11-F14 PolarHBondContact O-N 2.9Å; F14-Q16 VanDerWaalsContact C-N 3.34Å; F14-Q16 PolarHBondContact O-N 3.15Å; F14-T17 PolarHBondContact O-N 3.04Å; F14-T17 VanDerWaalsContact O-N 3.15Å; F14-T17 PolarHBondContact O-OG1 2.64Å; F14-H18 AromaticContact CD2-CD2 3.62Å; F14-H18 AromaticContact CD2-NE2 3.87Å; F14-H18 AromaticContact CE2-CD2 3.36Å; F14-H18 WeakPolarHBondContact CE2-CD2 3.35Å; F14-H18 AromaticContact CE2-NE2 3.44Å; F14-H18 WeakPolarHBondContact CE2-NE2 3.39Å; F14-H18 AromaticContact CZ-CD2 3.68Å; F14-H18 PolarHBondContact O-CD2 3.03Å; F14-H18 PolarHBondContact O-N 3.44Å; F14-F68 HydrophobicContact CD1-CE2 4.23Å; F14-F68 HydrophobicContact CE1-CE2 4.02Å; F14-F68 HydrophobicContact CE1-CZ 4.17Å; F14-I71 HydrophobicContact CE1-CD1 3.82Å; F14-I71 HydrophobicContact CE1-CG2 4.27Å; F14-I71 HydrophobicContact CZ-CD1 4.38Å; F14-I71 HydrophobicContact CZ-CG2 3.82Å; F14-M75 HydrophobicContact CE2-CB 4.44Å; F14-M75 HydrophobicContact CZ-CB 4.45Å; F14-I76 HydrophobicContact CZ-CG1 4.33Å; F14-M79 HydrophobicContact CB-CG 4.07Å; F14-M79 HydrophobicContact CB-SD 3.82Å; F14-M79 HydrophobicContact CD1-CG 4.22Å; F14-M79 HydrophobicContact CD1-SD 3.36Å; F14-M79 WeakPolarHBondContact CD1-SD 3.46Å; F14-M79 HydrophobicContact CD2-CB 3.77Å; F14-M79 HydrophobicContact CD2-CG 3.7Å; F14-M79 HydrophobicContact CD2-SD 3.98Å; F14-M79 HydrophobicContact CE1-SD 3.79Å; F14-M79 HydrophobicContact CE2-CB 3.69Å; F14-M79 HydrophobicContact CE2-CG 4.11Å; F14-M79 HydrophobicContact CE2-SD 4.36Å; F14-M79 HydrophobicContact CG-CB 4.26Å; F14-M79 HydrophobicContact CG-CG 3.74Å; F14-M79 HydrophobicContact CG-SD 3.44Å; F14-M79 WeakPolarHBondContact CG-SD 3.5Å; F14-M79 HydrophobicContact CZ-CB 4.11Å; F14-M79 HydrophobicContact CZ-SD 4.25Å
15V90.9Very high88.4Confident0 Ų063.6 Ų63.60%035%0.35CS..Hα-helixtrans-62.4-43.1178.9179.70000110.6L11 L12 T17 H18 L19 A22 L24 V65 F68L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.22Å; L12-V15 PolarHBondContact O-N 3.07Å; V15-T17 VanDerWaalsContact C-N 3.26Å; V15-T17 PolarHBondContact O-N 2.81Å; V15-H18 PolarHBondContact O-N 2.74Å; V15-L19 HydrophobicContact CG1-CB 4.23Å; V15-L19 HydrophobicContact CG1-CD1 4.36Å; V15-L19 CarbonylContact O-C 3.54Å; V15-L19 WeakPolarHBondContact O-CA 3.09Å; V15-L19 WeakPolarHBondContact O-CB 3.28Å; V15-L19 PolarHBondContact O-N 3.49Å; V15-A22 HydrophobicContact CG1-CB 3.77Å; V15-L24 HydrophobicContact CB-CD2 3.91Å; V15-L24 HydrophobicContact CG1-CD2 3.45Å; V15-L24 VanDerWaalsContact CG1-CD2 3.45Å; V15-V65 HydrophobicContact CG1-CG1 3.54Å; V15-V65 HydrophobicContact CG2-CG1 4.39Å; V15-F68 HydrophobicContact CG2-CD2 4.1Å; V15-F68 HydrophobicContact CG2-CE2 3.93Å
16Q89.3Confident88.1Confident118 Ų11856.6 Ų56.655%0.55134%0.335SS*.Hα-helixtrans-62.4-31.7177-73.7175.51.400113.4L12 A13 F14 L24L12-Q16 WeakPolarHBondContact O-CB 3.3Å; L12-Q16 VanDerWaalsContact O-CG 3.22Å; L12-Q16 WeakPolarHBondContact O-CG 3.32Å; L12-Q16 PolarHBondContact O-N 3.13Å; A13-Q16 PolarHBondContact O-N 2.9Å; F14-Q16 VanDerWaalsContact C-N 3.34Å; F14-Q16 PolarHBondContact O-N 3.15Å; Q16-L24 HydrophobicContact CG-CD1 3.8Å
17T90.9Very high88Confident99 Ų9955.7 Ų55.761%0.60733%0.33SS*.Hα-helixtrans-73.1-32.2177.554.10000113.6A13 F14 V15A13-T17 VanDerWaalsContact O-CG2 3.32Å; A13-T17 WeakPolarHBondContact O-CG2 3.39Å; A13-T17 PolarHBondContact O-N 2.9Å; A13-T17 PolarHBondContact O-OG1 3.13Å; F14-T17 PolarHBondContact O-N 3.04Å; F14-T17 VanDerWaalsContact O-N 3.15Å; F14-T17 PolarHBondContact O-OG1 2.64Å; V15-T17 VanDerWaalsContact C-N 3.26Å; V15-T17 PolarHBondContact O-N 2.81Å
18H88.6Confident88Confident65 Ų6559.4 Ų59.430%0.30135%0.35SS..Hα-helixtrans-100.7-24.2-176.9-70.2-64.1000113.5F14 V15 I71 M75F14-H18 AromaticContact CD2-CD2 3.62Å; F14-H18 AromaticContact CD2-NE2 3.87Å; F14-H18 AromaticContact CE2-CD2 3.36Å; F14-H18 WeakPolarHBondContact CE2-CD2 3.35Å; F14-H18 AromaticContact CE2-NE2 3.44Å; F14-H18 WeakPolarHBondContact CE2-NE2 3.39Å; F14-H18 AromaticContact CZ-CD2 3.68Å; F14-H18 PolarHBondContact O-CD2 3.03Å; F14-H18 PolarHBondContact O-N 3.44Å; V15-H18 PolarHBondContact O-N 2.74Å; H18-I71 HydrophobicContact CB-CD1 3.8Å; H18-I71 HydrophobicContact CB-CG1 4Å; H18-M75 WeakPolarHBondContact CE1-CE 3.42Å; H18-M75 PolarHBondContact CE1-SD 3.09Å
19L88.9Confident88Confident35 Ų3564.4 Ų64.418%0.18337%0.371CS..  trans-140.280.5-176.6-60171.8000109.6V15 E21 A22 V65 I71V15-L19 HydrophobicContact CG1-CB 4.23Å; V15-L19 HydrophobicContact CG1-CD1 4.36Å; V15-L19 CarbonylContact O-C 3.54Å; V15-L19 WeakPolarHBondContact O-CA 3.09Å; V15-L19 WeakPolarHBondContact O-CB 3.28Å; V15-L19 PolarHBondContact O-N 3.49Å; L19-E21 PolarHBondContact O-N 3.45Å; L19-A22 HydrophobicContact CB-CB 3.74Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 2.94Å; L19-A22 VanDerWaalsContact O-N 3.16Å; L19-V65 HydrophobicContact CD1-CG1 4.02Å; L19-I71 HydrophobicContact CD1-CD1 4.17Å; L19-I71 HydrophobicContact CG-CD1 4.44Å
20P81.1Confident88Confident113 Ų11366 Ų6673%0.73438%0.378SS*.THydrogen-bonded Turntrans-67.5-17.4-17727.2-35.2000113.7
21E82.6Confident88.1Confident191 Ų19165 Ų6589%0.89337%0.369SS*.THydrogen-bonded Turntrans-98.72.3178.1-63-177.1177.100113.1L19 D23L19-E21 PolarHBondContact O-N 3.45Å; E21-D23 PolarHBondContact O-N 3.15Å
22A83.6Confident88.1Confident24 Ų2466.3 Ų66.320%0.19838%0.375CS..  trans-66.9131.9-178.600000111.6V15 L19 L24 V65V15-A22 HydrophobicContact CG1-CB 3.77Å; L19-A22 HydrophobicContact CB-CB 3.74Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 2.94Å; L19-A22 VanDerWaalsContact O-N 3.16Å; A22-L24 HydrophobicContact CB-CD2 4.27Å; A22-L24 PolarHBondContact O-N 3.02Å; A22-V65 HydrophobicContact CB-CG1 4.06Å
23D83.5Confident88.2Confident104 Ų10466.2 Ų66.256%0.55638%0.379SS*.  trans-78115.4167.5-174.86.9000109.3E21 S25E21-D23 PolarHBondContact O-N 3.15Å; D23-S25 WeakPolarHBondContact OD1-CB 3.03Å; D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 PolarHBondContact OD1-OG 2.76Å; D23-S25 PolarHBondContact OD2-OG 2.9Å
24L83.1Confident88.2Confident33 Ų3368 Ų6817%0.17338%0.375CS..  trans-97.12.5-178.1-55.3172.6000112.1L12 V15 Q16 A22 G26 L27L12-L24 HydrophobicContact CD2-CB 3.77Å; L12-L24 HydrophobicContact CD2-CD1 3.6Å; L12-L24 HydrophobicContact CD2-CD2 4.24Å; L12-L24 HydrophobicContact CD2-CG 4.06Å; V15-L24 HydrophobicContact CB-CD2 3.91Å; V15-L24 HydrophobicContact CG1-CD2 3.45Å; V15-L24 VanDerWaalsContact CG1-CD2 3.45Å; Q16-L24 HydrophobicContact CG-CD1 3.8Å; A22-L24 HydrophobicContact CB-CD2 4.27Å; A22-L24 PolarHBondContact O-N 3.02Å; L24-G26 PolarHBondContact O-N 2.87Å; L24-L27 HydrophobicContact CB-CD1 4.42Å; L24-L27 HydrophobicContact CD2-CD1 4.02Å; L24-L27 PolarHBondContact O-N 2.73Å
25S83.6Confident88.2Confident97 Ų9767 Ų6768%0.67837%0.371SS*.THydrogen-bonded Turntrans-66.1-20.4-178.367.70000113.5D23D23-S25 WeakPolarHBondContact OD1-CB 3.03Å; D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 PolarHBondContact OD1-OG 2.76Å; D23-S25 PolarHBondContact OD2-OG 2.9Å
26G81.9Confident88.2Confident35 Ų3568 Ų6836%0.36138%0.376SS..THydrogen-bonded Turntrans-80.1-8.3175.600000115.2L24 D28L24-G26 PolarHBondContact O-N 2.87Å; G26-D28 PolarHBondContact O-N 2.88Å
27L89.8Confident88.3Confident17 Ų1763.6 Ų63.69%0.08936%0.363CS..  trans-83.8106176.5-68.7171.8000110.1L11 L12 L24 I31 F32 M61 V65L11-L27 HydrophobicContact CD2-CD2 4.43Å; L12-L27 HydrophobicContact CD2-CD1 3.79Å; L24-L27 HydrophobicContact CB-CD1 4.42Å; L24-L27 HydrophobicContact CD2-CD1 4.02Å; L24-L27 PolarHBondContact O-N 2.73Å; L27-I31 HydrophobicContact CD2-CB 4.33Å; L27-I31 HydrophobicContact CD2-CG2 3.69Å; L27-F32 HydrophobicContact CB-CE1 4.2Å; L27-F32 HydrophobicContact CB-CZ 3.81Å; L27-M61 HydrophobicContact CD2-CE 4.25Å; L27-V65 HydrophobicContact CD1-CG2 4.11Å; L27-V65 HydrophobicContact CD2-CG2 4.07Å; L27-V65 HydrophobicContact CG-CG2 4.15Å
28D90.8Very high88.3Confident78 Ų7859.5 Ų59.542%0.41734%0.338SS..  trans-107.4-179.6178.971.96.9000112.7G26 V30 I31 F32G26-D28 PolarHBondContact O-N 2.88Å; D28-V30 PolarHBondContact O-N 3.26Å; D28-V30 WeakPolarHBondContact OD1-CA 3.26Å; D28-V30 VanDerWaalsContact OD1-CB 3.3Å; D28-V30 WeakPolarHBondContact OD1-CB 3.32Å; D28-V30 PolarHBondContact OD1-N 3.2Å; D28-I31 PolarHBondContact O-N 3.16Å; D28-I31 WeakPolarHBondContact OD1-CG1 3.29Å; D28-I31 PolarHBondContact OD1-N 3.43Å; D28-F32 WeakPolarHBondContact O-CD2 3.08Å; D28-F32 WeakPolarHBondContact O-CE2 3.41Å; D28-F32 WeakPolarHBondContact O-CG 3.46Å; D28-F32 PolarHBondContact O-N 3.44Å; D28-F32 VanDerWaalsContact O-N 3.12Å
29E90.9Very high88.3Confident124 Ų12456.6 Ų56.658%0.57933%0.325SS*.Hα-helixtrans-57.4-34.7177.1-170.9175.3-177.800112.3I31 F32 S33E29-I31 PolarHBondContact O-N 3.11Å; E29-F32 PolarHBondContact O-N 3.09Å; E29-S33 PolarHBondContact O-N 3.34Å; E29-S33 PolarHBondContact O-OG 2.99Å
30V92.1Very high88.2Confident103 Ų10360.5 Ų60.562%0.62434%0.342SS*.Hα-helixtrans-65.3-42.6-179.8-176.60000110.5D28 S33 Y34D28-V30 PolarHBondContact O-N 3.26Å; D28-V30 WeakPolarHBondContact OD1-CA 3.26Å; D28-V30 VanDerWaalsContact OD1-CB 3.3Å; D28-V30 WeakPolarHBondContact OD1-CB 3.32Å; D28-V30 PolarHBondContact OD1-N 3.2Å; V30-S33 PolarHBondContact O-N 3.32Å; V30-Y34 PolarHBondContact O-N 3.19Å
31I92.4Very high88.4Confident5 Ų562.3 Ų62.33%0.02635%0.345CS..Hα-helixtrans-66.2-41.6175.9-56.7-51.3000111.1L27 D28 E29 S33 Y34 V35 M61 Y64L27-I31 HydrophobicContact CD2-CB 4.33Å; L27-I31 HydrophobicContact CD2-CG2 3.69Å; D28-I31 PolarHBondContact O-N 3.16Å; D28-I31 WeakPolarHBondContact OD1-CG1 3.29Å; D28-I31 PolarHBondContact OD1-N 3.43Å; E29-I31 PolarHBondContact O-N 3.11Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 2.73Å; I31-Y34 PolarHBondContact O-N 3.19Å; I31-V35 HydrophobicContact CG2-CG2 4.26Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.47Å; I31-V35 PolarHBondContact O-N 3.06Å; I31-M61 HydrophobicContact CG2-SD 4.36Å; I31-Y64 HydrophobicContact CD1-CD1 3.96Å; I31-Y64 HydrophobicContact CD1-CD2 3.82Å; I31-Y64 HydrophobicContact CD1-CE1 3.56Å; I31-Y64 HydrophobicContact CD1-CE2 3.43Å; I31-Y64 VanDerWaalsContact CD1-CE2 3.43Å; I31-Y64 HydrophobicContact CD1-CG 4.1Å; I31-Y64 HydrophobicContact CG1-CD1 3.95Å; I31-Y64 HydrophobicContact CG1-CD2 4.33Å; I31-Y64 HydrophobicContact CG1-CE1 3.96Å; I31-Y64 HydrophobicContact CG1-CE2 4.37Å; I31-Y64 HydrophobicContact CG1-CG 4.16Å
32F91.6Very high88.3Confident28 Ų2854.1 Ų54.112%0.12331%0.307CS..Hα-helixtrans-64.3-37.4176.3-59.8-48.1000112.5L11 L27 D28 E29 L36L11-F32 HydrophobicContact CD2-CD1 4.3Å; L11-F32 HydrophobicContact CD2-CE1 4.1Å; L27-F32 HydrophobicContact CB-CE1 4.2Å; L27-F32 HydrophobicContact CB-CZ 3.81Å; D28-F32 WeakPolarHBondContact O-CD2 3.08Å; D28-F32 WeakPolarHBondContact O-CE2 3.41Å; D28-F32 WeakPolarHBondContact O-CG 3.46Å; D28-F32 PolarHBondContact O-N 3.44Å; D28-F32 VanDerWaalsContact O-N 3.12Å; E29-F32 PolarHBondContact O-N 3.09Å; F32-L36 VanDerWaalsContact O-CB 3.22Å; F32-L36 WeakPolarHBondContact O-CB 3.4Å; F32-L36 PolarHBondContact O-N 2.86Å
33S92.1Very high87.7Confident51 Ų5153.9 Ų53.936%0.35731%0.308SS..Hα-helixtrans-66.8-39.6173.6-58.20000112.3E29 V30 I31 L36 G37E29-S33 PolarHBondContact O-N 3.34Å; E29-S33 PolarHBondContact O-OG 2.99Å; V30-S33 PolarHBondContact O-N 3.32Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 2.73Å; S33-L36 PolarHBondContact O-N 3.19Å; S33-G37 PolarHBondContact O-N 3.15Å
34Y92.9Very high86.9Confident85 Ų8553.3 Ų53.333%0.33331%0.309SS..Hα-helixtrans-61.2-51.1174.2168.3-104000111.4V30 I31 L36 G37 V38 F57 M60V30-Y34 PolarHBondContact O-N 3.19Å; I31-Y34 PolarHBondContact O-N 3.19Å; Y34-L36 VanDerWaalsContact C-N 3.28Å; Y34-L36 PolarHBondContact O-N 3.23Å; Y34-G37 PolarHBondContact O-N 3.03Å; Y34-G37 VanDerWaalsContact O-N 3.17Å; Y34-V38 HydrophobicContact CD2-CG2 4.3Å; Y34-V38 HydrophobicContact CE1-CG2 4.07Å; Y34-V38 HydrophobicContact CE2-CG2 3.81Å; Y34-V38 WeakPolarHBondContact O-CG2 3.45Å; Y34-V38 PolarHBondContact O-N 3.12Å; Y34-F57 HydrophobicContact CE1-CD2 4.2Å; Y34-F57 HydrophobicContact CE1-CE2 4.5Å; Y34-M60 HydrophobicContact CE1-CB 4.34Å; Y34-M60 HydrophobicContact CE1-CE 4.39Å
35V92.1Very high86.2Confident2 Ų256.8 Ų56.81%0.01234%0.336CS..Hα-helixtrans-61.7-39.1178.6175.80000110.7V7 L11 I31 V38 L39 F57 M61V7-V35 HydrophobicContact CG1-CB 4.05Å; V7-V35 HydrophobicContact CG1-CG1 3.65Å; L11-V35 HydrophobicContact CD2-CG2 4.36Å; I31-V35 HydrophobicContact CG2-CG2 4.26Å; I31-V35 VanDerWaalsContact O-CG2 3.28Å; I31-V35 WeakPolarHBondContact O-CG2 3.47Å; I31-V35 PolarHBondContact O-N 3.06Å; V35-V38 PolarHBondContact O-N 2.84Å; V35-L39 HydrophobicContact CG1-CD1 3.93Å; V35-L39 HydrophobicContact CG1-CG 4.42Å; V35-L39 WeakPolarHBondContact O-CB 3.44Å; V35-L39 WeakPolarHBondContact O-CG 3.42Å; V35-L39 PolarHBondContact O-N 3.14Å; V35-F57 HydrophobicContact CG2-CE2 4.22Å; V35-M61 HydrophobicContact CG2-SD 4.08Å
36L91.3Very high85.5Confident20 Ų2052.4 Ų52.411%0.10531%0.307CS..Hα-helixtrans-61.1-47174.6-179.363.3000111.6L3 E4 V7 F32 S33 Y34 V38 L39 E40 L87L3-L36 HydrophobicContact CB-CD1 4.26Å; L3-L36 HydrophobicContact CB-CD2 4.39Å; E4-L36 HydrophobicContact CG-CD2 3.9Å; V7-L36 HydrophobicContact CG2-CB 4.4Å; V7-L36 HydrophobicContact CG2-CD1 3.96Å; F32-L36 VanDerWaalsContact O-CB 3.22Å; F32-L36 WeakPolarHBondContact O-CB 3.4Å; F32-L36 PolarHBondContact O-N 2.86Å; S33-L36 PolarHBondContact O-N 3.19Å; Y34-L36 VanDerWaalsContact C-N 3.28Å; Y34-L36 PolarHBondContact O-N 3.23Å; L36-V38 PolarHBondContact O-N 3.39Å; L36-L39 PolarHBondContact O-N 2.98Å; L36-L39 VanDerWaalsContact O-N 3.16Å; L36-E40 WeakPolarHBondContact O-CG 3.48Å; L36-E40 PolarHBondContact O-N 3.43Å; L36-L87 HydrophobicContact CD1-CD1 3.69Å; L36-L87 HydrophobicContact CD1-CD2 4.11Å
37G90.6Very high85.2Confident26 Ų2652.3 Ų52.327%0.26830%0.3SS..Hα-helixtrans-60.8-43.2177.100000112.5S33 Y34 L39 E40 D41S33-G37 PolarHBondContact O-N 3.15Å; Y34-G37 PolarHBondContact O-N 3.03Å; Y34-G37 VanDerWaalsContact O-N 3.17Å; G37-L39 VanDerWaalsContact C-N 3.3Å; G37-L39 PolarHBondContact O-N 3.38Å; G37-E40 WeakPolarHBondContact O-CB 3.28Å; G37-E40 PolarHBondContact O-N 3.28Å; G37-E40 VanDerWaalsContact O-N 3.15Å; G37-D41 PolarHBondContact O-N 3.42Å
38V91.1Very high84.2Confident14 Ų1453.8 Ų53.89%0.08531%0.312CS..Hα-helixtrans-58.1-42.7173.8166.50000111.6Y34 V35 L36 E40 D41 L42 F52 F57 M80Y34-V38 HydrophobicContact CD2-CG2 4.3Å; Y34-V38 HydrophobicContact CE1-CG2 4.07Å; Y34-V38 HydrophobicContact CE2-CG2 3.81Å; Y34-V38 WeakPolarHBondContact O-CG2 3.45Å; Y34-V38 PolarHBondContact O-N 3.12Å; V35-V38 PolarHBondContact O-N 2.84Å; L36-V38 PolarHBondContact O-N 3.39Å; V38-E40 VanDerWaalsContact C-N 3.34Å; V38-D41 PolarHBondContact O-N 2.96Å; V38-L42 HydrophobicContact CG1-CD1 4.15Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.26Å; V38-L42 PolarHBondContact O-N 2.97Å; V38-L42 VanDerWaalsContact O-N 3.15Å; V38-F52 HydrophobicContact CG1-CD2 4.22Å; V38-F52 HydrophobicContact CG1-CE2 3.29Å; V38-F52 HydrophobicContact CG1-CZ 3.68Å; V38-F57 HydrophobicContact CG1-CD2 4.27Å; V38-M80 HydrophobicContact CG1-CE 3.37Å
39L89.6Confident83Confident4 Ų456.9 Ų56.92%0.02133%0.328CS..Hα-helixtrans-70.8-29.5178.9-69168.4000112.8V7 V35 L36 G37 L42 G43 M80 L83 L87V7-L39 HydrophobicContact CG2-CD1 4.17Å; V35-L39 HydrophobicContact CG1-CD1 3.93Å; V35-L39 HydrophobicContact CG1-CG 4.42Å; V35-L39 WeakPolarHBondContact O-CB 3.44Å; V35-L39 WeakPolarHBondContact O-CG 3.42Å; V35-L39 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 2.98Å; L36-L39 VanDerWaalsContact O-N 3.16Å; G37-L39 VanDerWaalsContact C-N 3.3Å; G37-L39 PolarHBondContact O-N 3.38Å; L39-L42 HydrophobicContact CD2-CD1 4.38Å; L39-G43 PolarHBondContact O-N 3.34Å; L39-M80 HydrophobicContact CD2-CB 4Å; L39-M80 HydrophobicContact CD2-CE 4.29Å; L39-M80 HydrophobicContact CD2-CG 4.43Å; L39-M80 VanDerWaalsContact CD2-O 3.28Å; L39-M80 WeakPolarHBondContact CD2-O 3.46Å; L39-L83 HydrophobicContact CD1-CB 3.84Å; L39-L83 HydrophobicContact CD1-CD1 4.23Å; L39-L83 HydrophobicContact CD2-CB 4.06Å; L39-L87 HydrophobicContact CB-CD1 3.91Å; L39-L87 HydrophobicContact CD1-CD1 3.74Å; L39-L87 HydrophobicContact CG-CD1 4.47Å
40E86.4Confident81.8Confident117 Ų11759.9 Ų59.955%0.54734%0.342SS..Hα-helixtrans-68.3-40.9173.5-73.6-179169.600111.8L36 G37 V38 G43L36-E40 WeakPolarHBondContact O-CG 3.48Å; L36-E40 PolarHBondContact O-N 3.43Å; G37-E40 WeakPolarHBondContact O-CB 3.28Å; G37-E40 PolarHBondContact O-N 3.28Å; G37-E40 VanDerWaalsContact O-N 3.15Å; V38-E40 VanDerWaalsContact C-N 3.34Å; E40-G43 PolarHBondContact O-N 3.44Å
41D84.2Confident80.8Confident151 Ų15161.4 Ų61.481%0.80735%0.347SS*.Hα-helixtrans-69.7-33.1179-71.2-20.7000112.5G37 V38 G43G37-D41 PolarHBondContact O-N 3.42Å; V38-D41 PolarHBondContact O-N 2.96Å; D41-G43 VanDerWaalsContact C-N 3.34Å; D41-G43 PolarHBondContact O-N 3.06Å
42L80.9Confident80.5Confident18 Ų1862.7 Ų62.79%0.09435%0.352CS..Hα-helixtrans-67.6-31.3177.2-80.3175000113.7V38 L39 P47 F52 M80V38-L42 HydrophobicContact CG1-CD1 4.15Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.26Å; V38-L42 PolarHBondContact O-N 2.97Å; V38-L42 VanDerWaalsContact O-N 3.15Å; L39-L42 HydrophobicContact CD2-CD1 4.38Å; L42-P47 HydrophobicContact CD1-CB 4.41Å; L42-P47 VanDerWaalsContact CD2-CA 3.47Å; L42-P47 HydrophobicContact CD2-CB 3.86Å; L42-F52 HydrophobicContact CD1-CD2 4.37Å; L42-F52 HydrophobicContact CD1-CE2 4.49Å; L42-F52 HydrophobicContact CD1-CG 4.43Å; L42-F52 HydrophobicContact CD2-CB 3.47Å; L42-F52 VanDerWaalsContact CD2-CB 3.47Å; L42-F52 HydrophobicContact CD2-CD1 4.26Å; L42-F52 HydrophobicContact CD2-CD2 3.91Å; L42-F52 HydrophobicContact CD2-CG 3.61Å; L42-F52 HydrophobicContact CG-CD2 4.19Å; L42-F52 HydrophobicContact CG-CG 4.32Å; L42-M80 HydrophobicContact CD1-CB 4.38Å; L42-M80 HydrophobicContact CD1-CE 3.38Å; L42-M80 HydrophobicContact CD1-SD 4.31Å
43G70.3Confident80.4Confident20 Ų2066.1 Ų66.121%0.20637%0.372CS..  trans59.6-172.5-173.300000113.8L39 E40 D41 S45 G46 S84L39-G43 PolarHBondContact O-N 3.34Å; E40-G43 PolarHBondContact O-N 3.44Å; D41-G43 VanDerWaalsContact C-N 3.34Å; D41-G43 PolarHBondContact O-N 3.06Å; G43-S45 PolarHBondContact O-N 2.96Å; G43-G46 PolarHBondContact O-N 3.3Å; G43-S84 VanDerWaalsContact C-OG 3.26Å; G43-S84 PolarHBondContact O-OG 2.89Å
44P68.2Low80.2Confident91 Ų9165 Ų6559%0.59136%0.361SS*.THydrogen-bonded Turntrans-71.8-14.5-174.128.2-34.2000113.8G46P44-G46 VanDerWaalsContact C-N 3.25Å; P44-G46 PolarHBondContact O-N 3.12Å
45S68Low80.1Confident106 Ų10666.9 Ų66.974%0.74138%0.377SS*.THydrogen-bonded Turntrans-72.5-18-178.8-54.70000113G43 Q81G43-S45 PolarHBondContact O-N 2.96Å; S45-Q81 PolarHBondContact O-NE2 2.85Å
46G68.5Low80.1Confident6 Ų668.6 Ų68.66%0.06239%0.391CS..  trans80.7175.9-178.600000113.3G43 P44 S48G43-G46 PolarHBondContact O-N 3.3Å; P44-G46 VanDerWaalsContact C-N 3.25Å; P44-G46 PolarHBondContact O-N 3.12Å; G46-S48 PolarHBondContact O-N 3.24Å
47P74.7Confident80.2Confident32 Ų3267.7 Ų67.721%0.20839%0.387CS..  trans-67.6124.3-179.626.7-31.7000111.6L42 F52 M54 M80L42-P47 HydrophobicContact CD1-CB 4.41Å; L42-P47 VanDerWaalsContact CD2-CA 3.47Å; L42-P47 HydrophobicContact CD2-CB 3.86Å; P47-F52 HydrophobicContact CB-CB 4.19Å; P47-F52 HydrophobicContact CB-CD1 3.59Å; P47-F52 HydrophobicContact CB-CE1 4.34Å; P47-F52 HydrophobicContact CB-CG 4.18Å; P47-M54 HydrophobicContact CB-CE 4.02Å; P47-M54 HydrophobicContact CG-CE 3.98Å; P47-M80 HydrophobicContact CG-CB 4.42Å
48S70.6Confident80.3Confident49 Ų4967.3 Ų67.334%0.34338%0.379SS..  trans-111.6148.5165.762.70000109.8G46 E50 N51 F52G46-S48 PolarHBondContact O-N 3.24Å; S48-E50 PolarHBondContact O-N 3.01Å; S48-N51 PolarHBondContact O-N 3.45Å; S48-N51 VanDerWaalsContact OG-CB 3.3Å; S48-N51 WeakPolarHBondContact OG-CB 3.17Å; S48-N51 VanDerWaalsContact OG-CG 3.32Å; S48-N51 PolarHBondContact OG-N 3.35Å; S48-F52 PolarHBondContact O-N 3.41Å
49D64.3Low80.4Confident142 Ų14273.9 Ų73.976%0.75941%0.409SS*.THydrogen-bonded Turntrans-58.4-20.9-178.8-71.9-14000113
50E65.8Low80.6Confident188 Ų18877 Ų7788%0.87942%0.424SS*.THydrogen-bonded Turntrans-90.3-22.6177.6-61-163.9146.900114S48S48-E50 PolarHBondContact O-N 3.01Å
51N71.9Confident80.9Confident134 Ų13471.5 Ų71.572%0.71740%0.399SS*.THydrogen-bonded Turntrans-107.3-17.7-174.1-6714.6000113.1S48S48-N51 PolarHBondContact O-N 3.45Å; S48-N51 VanDerWaalsContact OG-CB 3.3Å; S48-N51 WeakPolarHBondContact OG-CB 3.17Å; S48-N51 VanDerWaalsContact OG-CG 3.32Å; S48-N51 PolarHBondContact OG-N 3.35Å
52F85.3Confident81.3Confident32 Ų3267.4 Ų67.414%0.1438%0.375CS..  trans-145.7126-171.5-178.6-109.2000113.2V38 L42 P47 S48 M54 F57 M80V38-F52 HydrophobicContact CG1-CD2 4.22Å; V38-F52 HydrophobicContact CG1-CE2 3.29Å; V38-F52 HydrophobicContact CG1-CZ 3.68Å; L42-F52 HydrophobicContact CD1-CD2 4.37Å; L42-F52 HydrophobicContact CD1-CE2 4.49Å; L42-F52 HydrophobicContact CD1-CG 4.43Å; L42-F52 HydrophobicContact CD2-CB 3.47Å; L42-F52 VanDerWaalsContact CD2-CB 3.47Å; L42-F52 HydrophobicContact CD2-CD1 4.26Å; L42-F52 HydrophobicContact CD2-CD2 3.91Å; L42-F52 HydrophobicContact CD2-CG 3.61Å; L42-F52 HydrophobicContact CG-CD2 4.19Å; L42-F52 HydrophobicContact CG-CG 4.32Å; P47-F52 HydrophobicContact CB-CB 4.19Å; P47-F52 HydrophobicContact CB-CD1 3.59Å; P47-F52 HydrophobicContact CB-CE1 4.34Å; P47-F52 HydrophobicContact CB-CG 4.18Å; S48-F52 PolarHBondContact O-N 3.41Å; F52-M54 HydrophobicContact CD1-CB 4.29Å; F52-M54 HydrophobicContact CD1-SD 4.49Å; F52-M54 HydrophobicContact CE1-CB 4.25Å; F52-M54 HydrophobicContact CE1-SD 4.13Å; F52-M54 PolarHBondContact O-N 2.79Å; F52-M54 VanDerWaalsContact O-N 3.14Å; F52-F57 HydrophobicContact CE1-CB 3.99Å; F52-F57 HydrophobicContact CE1-CG 4.33Å; F52-F57 HydrophobicContact CE2-CB 4.27Å; F52-F57 HydrophobicContact CZ-CB 3.38Å; F52-F57 HydrophobicContact CZ-CD1 4.36Å; F52-F57 HydrophobicContact CZ-CD2 4.05Å; F52-F57 AromaticContact CZ-CG 3.68Å; F52-F57 HydrophobicContact CZ-CG 3.68Å; F52-M80 HydrophobicContact CE1-CE 3.68Å; F52-M80 HydrophobicContact CE1-SD 3.58Å; F52-M80 VanDerWaalsContact CE1-SD 3.58Å; F52-M80 HydrophobicContact CE2-CE 4.11Å; F52-M80 HydrophobicContact CZ-CE 3.36Å; F52-M80 HydrophobicContact CZ-SD 3.86Å
53D89.1Confident81.9Confident100 Ų10070.3 Ų70.354%0.53540%0.402SS..  trans-82.191.6173.8-167.7-20.5000110.4D55 A56 F57D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 2.93Å; D53-D55 PolarHBondContact OD1-N 2.94Å; D53-D55 VanDerWaalsContact OD1-N 3.14Å; D53-A56 HydrophobicContact CB-CB 3.91Å; D53-A56 PolarHBondContact OD1-N 3.33Å; D53-F57 PolarHBondContact O-N 2.69Å; D53-F57 VanDerWaalsContact O-N 3.14Å
54M88.9Confident82.8Confident28 Ų2873.7 Ų73.714%0.13841%0.409CS..Hα-helixtrans-63.1-34.7177.3-169.593.967.700112.1P47 F52 F57 T58 I76 M80P47-M54 HydrophobicContact CB-CE 4.02Å; P47-M54 HydrophobicContact CG-CE 3.98Å; F52-M54 HydrophobicContact CD1-CB 4.29Å; F52-M54 HydrophobicContact CD1-SD 4.49Å; F52-M54 HydrophobicContact CE1-CB 4.25Å; F52-M54 HydrophobicContact CE1-SD 4.13Å; F52-M54 PolarHBondContact O-N 2.79Å; F52-M54 VanDerWaalsContact O-N 3.14Å; M54-F57 PolarHBondContact O-N 3.06Å; M54-T58 VanDerWaalsContact O-CB 3.32Å; M54-T58 WeakPolarHBondContact O-CB 3.36Å; M54-T58 PolarHBondContact O-N 2.77Å; M54-T58 PolarHBondContact O-OG1 3.33Å; M54-I76 HydrophobicContact SD-CB 4.37Å; M54-I76 HydrophobicContact SD-CG2 4.07Å; M54-M80 HydrophobicContact SD-SD 4.35Å
55D90.8Very high83.9Confident125 Ų12569.3 Ų69.367%0.66838%0.38SS*.Hα-helixtrans-70.9-42.9-177.6-68.9-35.1000109.9D53 F57 T58 E59D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 2.93Å; D53-D55 PolarHBondContact OD1-N 2.94Å; D53-D55 VanDerWaalsContact OD1-N 3.14Å; D55-F57 PolarHBondContact O-N 3.06Å; D55-T58 PolarHBondContact O-N 3.22Å; D55-E59 WeakPolarHBondContact O-CB 3.36Å; D55-E59 PolarHBondContact O-N 3.3Å
56A91.8Very high85Confident37 Ų3768.5 Ų68.531%0.30637%0.373SS..Hα-helixtrans-63.2-40.4174.100000112.7D53 E59 M60D53-A56 HydrophobicContact CB-CB 3.91Å; D53-A56 PolarHBondContact OD1-N 3.33Å; A56-E59 PolarHBondContact O-N 3.43Å; A56-M60 WeakPolarHBondContact O-CB 3.44Å; A56-M60 PolarHBondContact O-N 3.03Å
57F93Very high86Confident1 Ų169 Ų690%0.00438%0.377CS..Hα-helixtrans-63.2-43.3174172.2-98000111.9Y34 V35 V38 F52 D53 M54 D55 M60 M61 F68 I76 M80Y34-F57 HydrophobicContact CE1-CD2 4.2Å; Y34-F57 HydrophobicContact CE1-CE2 4.5Å; V35-F57 HydrophobicContact CG2-CE2 4.22Å; V38-F57 HydrophobicContact CG1-CD2 4.27Å; F52-F57 HydrophobicContact CE1-CB 3.99Å; F52-F57 HydrophobicContact CE1-CG 4.33Å; F52-F57 HydrophobicContact CE2-CB 4.27Å; F52-F57 HydrophobicContact CZ-CB 3.38Å; F52-F57 HydrophobicContact CZ-CD1 4.36Å; F52-F57 HydrophobicContact CZ-CD2 4.05Å; F52-F57 AromaticContact CZ-CG 3.68Å; F52-F57 HydrophobicContact CZ-CG 3.68Å; D53-F57 PolarHBondContact O-N 2.69Å; D53-F57 VanDerWaalsContact O-N 3.14Å; M54-F57 PolarHBondContact O-N 3.06Å; D55-F57 PolarHBondContact O-N 3.06Å; F57-M60 PolarHBondContact O-N 2.87Å; F57-M61 HydrophobicContact CD1-CG 4.32Å; F57-M61 HydrophobicContact CD2-CG 4.39Å; F57-M61 HydrophobicContact CE1-CG 3.88Å; F57-M61 HydrophobicContact CE2-CG 3.97Å; F57-M61 HydrophobicContact CE2-SD 4.36Å; F57-M61 HydrophobicContact CZ-CG 3.69Å; F57-M61 HydrophobicContact CZ-SD 4.26Å; F57-M61 WeakPolarHBondContact O-CB 3.37Å; F57-M61 VanDerWaalsContact O-CG 3.31Å; F57-M61 WeakPolarHBondContact O-CG 3.44Å; F57-M61 PolarHBondContact O-N 2.91Å; F57-F68 HydrophobicContact CE1-CE1 4.19Å; F57-F68 HydrophobicContact CE1-CZ 4.33Å; F57-I76 HydrophobicContact CD1-CG2 4.01Å; F57-I76 HydrophobicContact CE1-CG2 3.72Å; F57-M80 HydrophobicContact CD1-CE 4.38Å; F57-M80 HydrophobicContact CD1-SD 4Å; F57-M80 HydrophobicContact CD2-CE 4.19Å; F57-M80 HydrophobicContact CE1-CE 4.28Å; F57-M80 HydrophobicContact CE1-CG 4.47Å; F57-M80 HydrophobicContact CE1-SD 3.9Å; F57-M80 HydrophobicContact CE2-CE 4.06Å; F57-M80 HydrophobicContact CG-CE 4.34Å; F57-M80 HydrophobicContact CG-SD 4.47Å; F57-M80 HydrophobicContact CZ-CE 4.12Å; F57-M80 HydrophobicContact CZ-SD 4.27Å
58T93.3Very high86.8Confident19 Ų1967.4 Ų67.412%0.11737%0.367CS..Hα-helixtrans-65.8-41.1179.1-57.20000111.1M54 D55 M61 E62 F68 I76M54-T58 VanDerWaalsContact O-CB 3.32Å; M54-T58 WeakPolarHBondContact O-CB 3.36Å; M54-T58 PolarHBondContact O-N 2.77Å; M54-T58 PolarHBondContact O-OG1 3.33Å; D55-T58 PolarHBondContact O-N 3.22Å; T58-M61 PolarHBondContact O-N 3.3Å; T58-E62 WeakPolarHBondContact O-CB 3.19Å; T58-E62 PolarHBondContact O-N 3.32Å; T58-F68 HydrophobicContact CG2-CD1 4.24Å; T58-I76 HydrophobicContact CG2-CD1 4.06Å
59E93.9Very high87.7Confident151 Ų15167 Ų6771%0.70637%0.371SS*.Hα-helixtrans-62-45.4174.2-176.1178.2-170.600111.5D55 A56 M61 E62 A63D55-E59 WeakPolarHBondContact O-CB 3.36Å; D55-E59 PolarHBondContact O-N 3.3Å; A56-E59 PolarHBondContact O-N 3.43Å; E59-M61 VanDerWaalsContact C-N 3.32Å; E59-M61 PolarHBondContact O-N 3.36Å; E59-E62 PolarHBondContact O-N 3.44Å; E59-A63 PolarHBondContact O-N 2.91Å
60M93.4Very high89Confident69 Ų6967.9 Ų67.934%0.3437%0.37SS..Hα-helixtrans-58.8-44.4174.3-93.3-65.1-60.600111.6Y34 A56 F57 A63 Y64Y34-M60 HydrophobicContact CE1-CB 4.34Å; Y34-M60 HydrophobicContact CE1-CE 4.39Å; A56-M60 WeakPolarHBondContact O-CB 3.44Å; A56-M60 PolarHBondContact O-N 3.03Å; F57-M60 PolarHBondContact O-N 2.87Å; M60-A63 WeakPolarHBondContact O-CB 3.28Å; M60-A63 PolarHBondContact O-N 2.67Å; M60-Y64 HydrophobicContact CE-CE2 3.91Å; M60-Y64 WeakPolarHBondContact O-CD2 3.33Å
61M92.6Very high90.3Very high2 Ų259.5 Ų59.51%0.0133%0.331CS..Hα-helixtrans-69.8-35.8179.7-73-59.4-54.700113.1L11 L27 I31 V35 F57 T58 E59 A63 Y64 V65 F68L11-M61 HydrophobicContact CD1-CE 4.13Å; L11-M61 HydrophobicContact CD2-CE 4.01Å; L11-M61 HydrophobicContact CG-CE 4.48Å; L27-M61 HydrophobicContact CD2-CE 4.25Å; I31-M61 HydrophobicContact CG2-SD 4.36Å; V35-M61 HydrophobicContact CG2-SD 4.08Å; F57-M61 HydrophobicContact CD1-CG 4.32Å; F57-M61 HydrophobicContact CD2-CG 4.39Å; F57-M61 HydrophobicContact CE1-CG 3.88Å; F57-M61 HydrophobicContact CE2-CG 3.97Å; F57-M61 HydrophobicContact CE2-SD 4.36Å; F57-M61 HydrophobicContact CZ-CG 3.69Å; F57-M61 HydrophobicContact CZ-SD 4.26Å; F57-M61 WeakPolarHBondContact O-CB 3.37Å; F57-M61 VanDerWaalsContact O-CG 3.31Å; F57-M61 WeakPolarHBondContact O-CG 3.44Å; F57-M61 PolarHBondContact O-N 2.91Å; T58-M61 PolarHBondContact O-N 3.3Å; E59-M61 VanDerWaalsContact C-N 3.32Å; E59-M61 PolarHBondContact O-N 3.36Å; M61-A63 PolarHBondContact O-N 2.91Å; M61-Y64 PolarHBondContact O-N 3.26Å; M61-Y64 VanDerWaalsContact O-N 3.14Å; M61-V65 HydrophobicContact CE-CG2 4.36Å; M61-V65 PolarHBondContact O-N 2.86Å; M61-F68 HydrophobicContact CB-CB 4.48Å; M61-F68 HydrophobicContact CB-CD1 3.28Å; M61-F68 HydrophobicContact CB-CD2 4.35Å; M61-F68 HydrophobicContact CB-CE1 3.4Å; M61-F68 VanDerWaalsContact CB-CE1 3.4Å; M61-F68 HydrophobicContact CB-CE2 4.44Å; M61-F68 HydrophobicContact CB-CG 3.79Å; M61-F68 HydrophobicContact CB-CZ 4.01Å; M61-F68 HydrophobicContact CE-CD2 4.42Å; M61-F68 HydrophobicContact CE-CE2 4.1Å; M61-F68 HydrophobicContact CE-CZ 4.27Å; M61-F68 HydrophobicContact CG-CD1 4.18Å; M61-F68 HydrophobicContact CG-CE1 3.77Å; M61-F68 HydrophobicContact CG-CZ 4.06Å
62E92.9Very high91.2Very high65 Ų6556.6 Ų56.630%0.30432%0.319SS..Hα-helixtrans-60.2-31.9175.7-178.766.7-163.700112.2T58 E59 Y64 V65 G67 F68 G69T58-E62 WeakPolarHBondContact O-CB 3.19Å; T58-E62 PolarHBondContact O-N 3.32Å; E59-E62 PolarHBondContact O-N 3.44Å; E62-Y64 PolarHBondContact O-N 3.39Å; E62-V65 WeakPolarHBondContact CA-O 3.41Å; E62-V65 CarbonylContact O-C 3.52Å; E62-G67 VanDerWaalsContact CD-N 3.3Å; E62-G67 PolarHBondContact OE1-N 3.37Å; E62-G67 VanDerWaalsContact OE2-C 3.23Å; E62-G67 WeakPolarHBondContact OE2-CA 3.4Å; E62-G67 PolarHBondContact OE2-N 2.87Å; E62-G67 VanDerWaalsContact OE2-N 3.09Å; E62-F68 WeakPolarHBondContact OE2-CA 3.22Å; E62-F68 PolarHBondContact OE2-N 3.48Å; E62-G69 PolarHBondContact OE2-N 2.9Å
63A91.7Very high91.4Very high80 Ų8063.7 Ų63.766%0.66135%0.345SS*.THydrogen-bonded Turntrans-65-26.4177.900000113.4E59 M60 M61E59-A63 PolarHBondContact O-N 2.91Å; M60-A63 WeakPolarHBondContact O-CB 3.28Å; M60-A63 PolarHBondContact O-N 2.67Å; M61-A63 PolarHBondContact O-N 2.91Å
64Y91Very high91.4Very high90 Ų9061 Ų6135%0.35334%0.341SS..THydrogen-bonded Turntrans-105.5-30.7179.7-61.1-86.3000112.8I31 M60 M61 E62I31-Y64 HydrophobicContact CD1-CD1 3.96Å; I31-Y64 HydrophobicContact CD1-CD2 3.82Å; I31-Y64 HydrophobicContact CD1-CE1 3.56Å; I31-Y64 HydrophobicContact CD1-CE2 3.43Å; I31-Y64 VanDerWaalsContact CD1-CE2 3.43Å; I31-Y64 HydrophobicContact CD1-CG 4.1Å; I31-Y64 HydrophobicContact CG1-CD1 3.95Å; I31-Y64 HydrophobicContact CG1-CD2 4.33Å; I31-Y64 HydrophobicContact CG1-CE1 3.96Å; I31-Y64 HydrophobicContact CG1-CE2 4.37Å; I31-Y64 HydrophobicContact CG1-CG 4.16Å; M60-Y64 HydrophobicContact CE-CE2 3.91Å; M60-Y64 WeakPolarHBondContact O-CD2 3.33Å; M61-Y64 PolarHBondContact O-N 3.26Å; M61-Y64 VanDerWaalsContact O-N 3.14Å; E62-Y64 PolarHBondContact O-N 3.39Å
65V90.9Very high91.6Very high0 Ų063 Ų630%035%0.351CS..SBendtrans-123.594-179.4-178.80000107.8V15 L19 A22 L27 M61 E62 G67 F68V15-V65 HydrophobicContact CG1-CG1 3.54Å; V15-V65 HydrophobicContact CG2-CG1 4.39Å; L19-V65 HydrophobicContact CD1-CG1 4.02Å; A22-V65 HydrophobicContact CB-CG1 4.06Å; L27-V65 HydrophobicContact CD1-CG2 4.11Å; L27-V65 HydrophobicContact CD2-CG2 4.07Å; L27-V65 HydrophobicContact CG-CG2 4.15Å; M61-V65 HydrophobicContact CE-CG2 4.36Å; M61-V65 PolarHBondContact O-N 2.86Å; E62-V65 WeakPolarHBondContact CA-O 3.41Å; E62-V65 CarbonylContact O-C 3.52Å; V65-G67 PolarHBondContact O-N 2.89Å; V65-F68 HydrophobicContact CB-CB 4.11Å; V65-F68 HydrophobicContact CB-CD2 4.33Å; V65-F68 HydrophobicContact CG1-CB 4.16Å; V65-F68 HydrophobicContact CG1-CD2 4.19Å; V65-F68 WeakPolarHBondContact O-CB 3.45Å; V65-F68 PolarHBondContact O-N 3.43Å; V65-F68 VanDerWaalsContact O-N 3.12Å
66P90.5Very high91.6Very high89 Ų8957.1 Ų57.158%0.57832%0.319SS*.THydrogen-bonded Turntrans-57132.1177.9-25.134.3000111.6
67G88.6Confident91.5Very high15 Ų1555.8 Ų55.816%0.15531%0.309CS..THydrogen-bonded Turntrans88.2-3-178.200000115E62 V65 G69 H70E62-G67 VanDerWaalsContact CD-N 3.3Å; E62-G67 PolarHBondContact OE1-N 3.37Å; E62-G67 VanDerWaalsContact OE2-C 3.23Å; E62-G67 WeakPolarHBondContact OE2-CA 3.4Å; E62-G67 PolarHBondContact OE2-N 2.87Å; E62-G67 VanDerWaalsContact OE2-N 3.09Å; V65-G67 PolarHBondContact O-N 2.89Å; G67-G69 VanDerWaalsContact C-N 3.26Å; G67-G69 PolarHBondContact O-N 3.27Å; G67-H70 WeakPolarHBondContact O-CB 3.14Å; G67-H70 PolarHBondContact O-N 3.25Å
68F91.8Very high91.4Very high0 Ų059.8 Ų59.80%033%0.33CS..G310 helixtrans-57.4-36.2174.8-165.9-90.1000113.1F14 V15 F57 T58 M61 E62 V65 H70 I71 I76F14-F68 HydrophobicContact CD1-CE2 4.23Å; F14-F68 HydrophobicContact CE1-CE2 4.02Å; F14-F68 HydrophobicContact CE1-CZ 4.17Å; V15-F68 HydrophobicContact CG2-CD2 4.1Å; V15-F68 HydrophobicContact CG2-CE2 3.93Å; F57-F68 HydrophobicContact CE1-CE1 4.19Å; F57-F68 HydrophobicContact CE1-CZ 4.33Å; T58-F68 HydrophobicContact CG2-CD1 4.24Å; M61-F68 HydrophobicContact CB-CB 4.48Å; M61-F68 HydrophobicContact CB-CD1 3.28Å; M61-F68 HydrophobicContact CB-CD2 4.35Å; M61-F68 HydrophobicContact CB-CE1 3.4Å; M61-F68 VanDerWaalsContact CB-CE1 3.4Å; M61-F68 HydrophobicContact CB-CE2 4.44Å; M61-F68 HydrophobicContact CB-CG 3.79Å; M61-F68 HydrophobicContact CB-CZ 4.01Å; M61-F68 HydrophobicContact CE-CD2 4.42Å; M61-F68 HydrophobicContact CE-CE2 4.1Å; M61-F68 HydrophobicContact CE-CZ 4.27Å; M61-F68 HydrophobicContact CG-CD1 4.18Å; M61-F68 HydrophobicContact CG-CE1 3.77Å; M61-F68 HydrophobicContact CG-CZ 4.06Å; E62-F68 WeakPolarHBondContact OE2-CA 3.22Å; E62-F68 PolarHBondContact OE2-N 3.48Å; V65-F68 HydrophobicContact CB-CB 4.11Å; V65-F68 HydrophobicContact CB-CD2 4.33Å; V65-F68 HydrophobicContact CG1-CB 4.16Å; V65-F68 HydrophobicContact CG1-CD2 4.19Å; V65-F68 WeakPolarHBondContact O-CB 3.45Å; V65-F68 PolarHBondContact O-N 3.43Å; V65-F68 VanDerWaalsContact O-N 3.12Å; F68-H70 PolarHBondContact O-N 3.49Å; F68-I71 HydrophobicContact CD2-CD1 3.84Å; F68-I71 HydrophobicContact CE2-CD1 4.09Å; F68-I71 HydrophobicContact CG-CD1 4.25Å; F68-I71 VanDerWaalsContact O-CB 3.26Å; F68-I71 WeakPolarHBondContact O-CB 3.22Å; F68-I71 VanDerWaalsContact O-CG1 3.28Å; F68-I71 WeakPolarHBondContact O-CG1 3.4Å; F68-I71 PolarHBondContact O-N 2.92Å; F68-I76 HydrophobicContact CD1-CD1 4.44Å; F68-I76 HydrophobicContact CE1-CD1 3.95Å; F68-I76 HydrophobicContact CE1-CG1 4.39Å; F68-I76 HydrophobicContact CE1-CG2 4.48Å
69G90.4Very high91.4Very high40 Ų4059.5 Ų59.541%0.41233%0.328SS..G310 helixtrans-68.5-10.9175.900000115E62 G67 I71E62-G69 PolarHBondContact OE2-N 2.9Å; G67-G69 VanDerWaalsContact C-N 3.26Å; G67-G69 PolarHBondContact O-N 3.27Å; G69-I71 VanDerWaalsContact C-N 3.3Å
70H91.8Very high91.3Very high160 Ų16052.3 Ų52.374%0.74129%0.294SS*.G310 helixtrans-82.9-11170.7-67.377.3000112.4G67 F68G67-H70 WeakPolarHBondContact O-CB 3.14Å; G67-H70 PolarHBondContact O-N 3.25Å; F68-H70 PolarHBondContact O-N 3.49Å
71I92.6Very high91.1Very high12 Ų1253 Ų536%0.06230%0.296CS..SBendtrans-72.3128.9176.7-56.1174.7000108.3F14 H18 L19 F68 G69 R73 M75 I76F14-I71 HydrophobicContact CE1-CD1 3.82Å; F14-I71 HydrophobicContact CE1-CG2 4.27Å; F14-I71 HydrophobicContact CZ-CD1 4.38Å; F14-I71 HydrophobicContact CZ-CG2 3.82Å; H18-I71 HydrophobicContact CB-CD1 3.8Å; H18-I71 HydrophobicContact CB-CG1 4Å; L19-I71 HydrophobicContact CD1-CD1 4.17Å; L19-I71 HydrophobicContact CG-CD1 4.44Å; F68-I71 HydrophobicContact CD2-CD1 3.84Å; F68-I71 HydrophobicContact CE2-CD1 4.09Å; F68-I71 HydrophobicContact CG-CD1 4.25Å; F68-I71 VanDerWaalsContact O-CB 3.26Å; F68-I71 WeakPolarHBondContact O-CB 3.22Å; F68-I71 VanDerWaalsContact O-CG1 3.28Å; F68-I71 WeakPolarHBondContact O-CG1 3.4Å; F68-I71 PolarHBondContact O-N 2.92Å; G69-I71 VanDerWaalsContact C-N 3.3Å; I71-R73 PolarHBondContact O-N 3.04Å; I71-M75 HydrophobicContact CG2-CB 4.14Å; I71-M75 HydrophobicContact CG2-CE 4.44Å; I71-I76 HydrophobicContact CB-CD1 4.16Å; I71-I76 HydrophobicContact CB-CG1 4.13Å; I71-I76 HydrophobicContact CG2-CD1 4.37Å; I71-I76 HydrophobicContact CG2-CG1 3.8Å
72P91.5Very high91Very high74 Ų7459.3 Ų59.348%0.48132%0.324SS..  trans-55.6132.9177.6-27.835.3000112.4G74 M75 I76P72-G74 PolarHBondContact O-N 3.4Å; P72-M75 HydrophobicContact CB-CE 4.45Å; P72-M75 HydrophobicContact CB-CG 4.48Å; P72-M75 HydrophobicContact CG-CE 3.82Å; P72-M75 PolarHBondContact O-N 3.05Å; P72-I76 PolarHBondContact O-N 2.92Å
73R89.9Confident90.9Very high181 Ų18156.4 Ų56.468%0.68331%0.31SS*.Hα-helixtrans-47.3-37.7178.772-179.4-169.5173.96.5114I71 M75 I76 G77I71-R73 PolarHBondContact O-N 3.04Å; R73-M75 VanDerWaalsContact C-N 3.33Å; R73-M75 PolarHBondContact O-N 3.06Å; R73-I76 PolarHBondContact O-N 2.95Å; R73-G77 PolarHBondContact O-N 3.49Å
74G89.1Confident90.8Very high43 Ų4352.8 Ų52.844%0.44328%0.28SS..Hα-helixtrans-63.6-38.2178.900000112.5P72 G77 D78P72-G74 PolarHBondContact O-N 3.4Å; G74-G77 PolarHBondContact O-N 3.47Å; G74-D78 WeakPolarHBondContact O-CB 3.24Å; G74-D78 PolarHBondContact O-N 2.83Å
75M91.4Very high90.7Very high71 Ų7151.5 Ų51.535%0.3528%0.282SS..Hα-helixtrans-73-35.2178.1-64.6-152.4-76.200112.1F14 H18 I71 P72 R73 M79F14-M75 HydrophobicContact CE2-CB 4.44Å; F14-M75 HydrophobicContact CZ-CB 4.45Å; H18-M75 WeakPolarHBondContact CE1-CE 3.42Å; H18-M75 PolarHBondContact CE1-SD 3.09Å; I71-M75 HydrophobicContact CG2-CB 4.14Å; I71-M75 HydrophobicContact CG2-CE 4.44Å; P72-M75 HydrophobicContact CB-CE 4.45Å; P72-M75 HydrophobicContact CB-CG 4.48Å; P72-M75 HydrophobicContact CG-CE 3.82Å; P72-M75 PolarHBondContact O-N 3.05Å; R73-M75 VanDerWaalsContact C-N 3.33Å; R73-M75 PolarHBondContact O-N 3.06Å; M75-M79 WeakPolarHBondContact O-CB 3.32Å; M75-M79 PolarHBondContact O-N 3.09Å
76I91.8Very high90.6Very high1 Ų156.1 Ų56.11%0.00530%0.304CS..Hα-helixtrans-64.6-48.4173.3-58174.4000109.5F14 M54 F57 T58 F68 I71 P72 R73 D78 M79 M80F14-I76 HydrophobicContact CZ-CG1 4.33Å; M54-I76 HydrophobicContact SD-CB 4.37Å; M54-I76 HydrophobicContact SD-CG2 4.07Å; F57-I76 HydrophobicContact CD1-CG2 4.01Å; F57-I76 HydrophobicContact CE1-CG2 3.72Å; T58-I76 HydrophobicContact CG2-CD1 4.06Å; F68-I76 HydrophobicContact CD1-CD1 4.44Å; F68-I76 HydrophobicContact CE1-CD1 3.95Å; F68-I76 HydrophobicContact CE1-CG1 4.39Å; F68-I76 HydrophobicContact CE1-CG2 4.48Å; I71-I76 HydrophobicContact CB-CD1 4.16Å; I71-I76 HydrophobicContact CB-CG1 4.13Å; I71-I76 HydrophobicContact CG2-CD1 4.37Å; I71-I76 HydrophobicContact CG2-CG1 3.8Å; P72-I76 PolarHBondContact O-N 2.92Å; R73-I76 PolarHBondContact O-N 2.95Å; I76-D78 PolarHBondContact O-N 3.18Å; I76-M79 WeakPolarHBondContact O-CB 3.31Å; I76-M79 PolarHBondContact O-N 3.07Å; I76-M80 HydrophobicContact CG2-CG 4.47Å; I76-M80 HydrophobicContact CG2-SD 4.28Å; I76-M80 VanDerWaalsContact O-CG 3.31Å; I76-M80 WeakPolarHBondContact O-CG 3.39Å; I76-M80 PolarHBondContact O-N 3.39Å
77G90.3Very high90.6Very high8 Ų852.6 Ų52.68%0.08228%0.28CS..Hα-helixtrans-58.9-45.5176.700000113.1R73 G74 M79 M80 Q81R73-G77 PolarHBondContact O-N 3.49Å; G74-G77 PolarHBondContact O-N 3.47Å; G77-M79 VanDerWaalsContact C-N 3.32Å; G77-M79 PolarHBondContact O-N 3.47Å; G77-M80 PolarHBondContact O-N 3.33Å; G77-Q81 PolarHBondContact O-N 3.48Å
78D91Very high90.4Very high85 Ų8553.8 Ų53.846%0.45529%0.286SS..Hα-helixtrans-60.2-40.9175.5-75.5-10.7000112.1G74 I76 K82G74-D78 WeakPolarHBondContact O-CB 3.24Å; G74-D78 PolarHBondContact O-N 2.83Å; I76-D78 PolarHBondContact O-N 3.18Å; D78-K82 WeakPolarHBondContact O-CB 3.37Å; D78-K82 WeakPolarHBondContact O-CD 3.21Å; D78-K82 WeakPolarHBondContact O-CG 3.35Å; D78-K82 PolarHBondContact O-N 3.02Å
79M92.1Very high90.2Very high13 Ų1357.6 Ų57.66%0.06431%0.306CS..Hα-helixtrans-63.5-47.9175.9178-142.658.300110.7L11 F14 M75 I76 G77 Q81 K82 L83L11-M79 HydrophobicContact CD1-CE 4.44Å; L11-M79 HydrophobicContact CD1-SD 3.97Å; F14-M79 HydrophobicContact CB-CG 4.07Å; F14-M79 HydrophobicContact CB-SD 3.82Å; F14-M79 HydrophobicContact CD1-CG 4.22Å; F14-M79 HydrophobicContact CD1-SD 3.36Å; F14-M79 WeakPolarHBondContact CD1-SD 3.46Å; F14-M79 HydrophobicContact CD2-CB 3.77Å; F14-M79 HydrophobicContact CD2-CG 3.7Å; F14-M79 HydrophobicContact CD2-SD 3.98Å; F14-M79 HydrophobicContact CE1-SD 3.79Å; F14-M79 HydrophobicContact CE2-CB 3.69Å; F14-M79 HydrophobicContact CE2-CG 4.11Å; F14-M79 HydrophobicContact CE2-SD 4.36Å; F14-M79 HydrophobicContact CG-CB 4.26Å; F14-M79 HydrophobicContact CG-CG 3.74Å; F14-M79 HydrophobicContact CG-SD 3.44Å; F14-M79 WeakPolarHBondContact CG-SD 3.5Å; F14-M79 HydrophobicContact CZ-CB 4.11Å; F14-M79 HydrophobicContact CZ-SD 4.25Å; M75-M79 WeakPolarHBondContact O-CB 3.32Å; M75-M79 PolarHBondContact O-N 3.09Å; I76-M79 WeakPolarHBondContact O-CB 3.31Å; I76-M79 PolarHBondContact O-N 3.07Å; G77-M79 VanDerWaalsContact C-N 3.32Å; G77-M79 PolarHBondContact O-N 3.47Å; M79-Q81 VanDerWaalsContact C-N 3.33Å; M79-Q81 PolarHBondContact O-N 2.77Å; M79-K82 PolarHBondContact O-N 3.42Å; M79-L83 HydrophobicContact CE-CD1 4.1Å; M79-L83 HydrophobicContact CG-CD1 3.93Å; M79-L83 HydrophobicContact CG-CG 4.48Å; M79-L83 WeakPolarHBondContact O-CB 3.49Å; M79-L83 WeakPolarHBondContact O-CG 3.3Å; M79-L83 PolarHBondContact O-N 3.13Å; M79-L83 HydrophobicContact SD-CD1 4.03Å
80M91.3Very high89.9Confident1 Ų156.9 Ų56.91%0.00530%0.296CS..Hα-helixtrans-61.2-41.8179.4-67.2-175.68600111.9V38 L39 L42 P47 F52 M54 F57 I76 G77 L83 S84V38-M80 HydrophobicContact CG1-CE 3.37Å; L39-M80 HydrophobicContact CD2-CB 4Å; L39-M80 HydrophobicContact CD2-CE 4.29Å; L39-M80 HydrophobicContact CD2-CG 4.43Å; L39-M80 VanDerWaalsContact CD2-O 3.28Å; L39-M80 WeakPolarHBondContact CD2-O 3.46Å; L42-M80 HydrophobicContact CD1-CB 4.38Å; L42-M80 HydrophobicContact CD1-CE 3.38Å; L42-M80 HydrophobicContact CD1-SD 4.31Å; P47-M80 HydrophobicContact CG-CB 4.42Å; F52-M80 HydrophobicContact CE1-CE 3.68Å; F52-M80 HydrophobicContact CE1-SD 3.58Å; F52-M80 VanDerWaalsContact CE1-SD 3.58Å; F52-M80 HydrophobicContact CE2-CE 4.11Å; F52-M80 HydrophobicContact CZ-CE 3.36Å; F52-M80 HydrophobicContact CZ-SD 3.86Å; M54-M80 HydrophobicContact SD-SD 4.35Å; F57-M80 HydrophobicContact CD1-CE 4.38Å; F57-M80 HydrophobicContact CD1-SD 4Å; F57-M80 HydrophobicContact CD2-CE 4.19Å; F57-M80 HydrophobicContact CE1-CE 4.28Å; F57-M80 HydrophobicContact CE1-CG 4.47Å; F57-M80 HydrophobicContact CE1-SD 3.9Å; F57-M80 HydrophobicContact CE2-CE 4.06Å; F57-M80 HydrophobicContact CG-CE 4.34Å; F57-M80 HydrophobicContact CG-SD 4.47Å; F57-M80 HydrophobicContact CZ-CE 4.12Å; F57-M80 HydrophobicContact CZ-SD 4.27Å; I76-M80 HydrophobicContact CG2-CG 4.47Å; I76-M80 HydrophobicContact CG2-SD 4.28Å; I76-M80 VanDerWaalsContact O-CG 3.31Å; I76-M80 WeakPolarHBondContact O-CG 3.39Å; I76-M80 PolarHBondContact O-N 3.39Å; G77-M80 PolarHBondContact O-N 3.33Å; M80-L83 PolarHBondContact O-N 2.97Å; M80-S84 WeakPolarHBondContact O-CB 3.34Å; M80-S84 PolarHBondContact O-N 2.84Å
81Q90.3Very high89.5Confident82 Ų8256.5 Ų56.538%0.38329%0.288SS..Hα-helixtrans-66-43.7177.1-170.2172.739.700112.2S45 G77 M79 L83 S84 T85S45-Q81 PolarHBondContact O-NE2 2.85Å; G77-Q81 PolarHBondContact O-N 3.48Å; M79-Q81 VanDerWaalsContact C-N 3.33Å; M79-Q81 PolarHBondContact O-N 2.77Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-L83 PolarHBondContact O-N 3.36Å; Q81-S84 PolarHBondContact O-N 3.29Å; Q81-T85 PolarHBondContact O-N 3.02Å; Q81-T85 PolarHBondContact O-OG1 3.42Å
82K90.3Very high88.8Confident136 Ų13660.6 Ų60.659%0.59131%0.31SS*.Hα-helixtrans-60-43.6174.5-75.4168.1-173.5166.80111.5D78 M79 T85 Q86D78-K82 WeakPolarHBondContact O-CB 3.37Å; D78-K82 WeakPolarHBondContact O-CD 3.21Å; D78-K82 WeakPolarHBondContact O-CG 3.35Å; D78-K82 PolarHBondContact O-N 3.02Å; M79-K82 PolarHBondContact O-N 3.42Å; K82-T85 PolarHBondContact O-N 3.35Å; K82-Q86 WeakPolarHBondContact O-CG 3.45Å; K82-Q86 PolarHBondContact O-N 2.7Å
83L90.7Very high87.8Confident3 Ų364.1 Ų64.12%0.01632%0.318CS..Hα-helixtrans-63.2-48.5177.4-82.6173.6000112.1A10 L39 M79 M80 Q81 T85 Q86 L87A10-L83 HydrophobicContact CB-CD2 3.26Å; A10-L83 HydrophobicContact CB-CG 4.29Å; L39-L83 HydrophobicContact CD1-CB 3.84Å; L39-L83 HydrophobicContact CD1-CD1 4.23Å; L39-L83 HydrophobicContact CD2-CB 4.06Å; M79-L83 HydrophobicContact CE-CD1 4.1Å; M79-L83 HydrophobicContact CG-CD1 3.93Å; M79-L83 HydrophobicContact CG-CG 4.48Å; M79-L83 WeakPolarHBondContact O-CB 3.49Å; M79-L83 WeakPolarHBondContact O-CG 3.3Å; M79-L83 PolarHBondContact O-N 3.13Å; M79-L83 HydrophobicContact SD-CD1 4.03Å; M80-L83 PolarHBondContact O-N 2.97Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-L83 PolarHBondContact O-N 3.36Å; L83-T85 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 3.38Å; L83-Q86 PolarHBondContact O-N 2.94Å; L83-Q86 VanDerWaalsContact O-N 3.14Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 2.92Å
84S89.9Confident86.3Confident4 Ų462 Ų623%0.02832%0.316CS..Hα-helixtrans-57.8-41.4176.5172.20000112.1G43 M80 Q81 L87 S88G43-S84 VanDerWaalsContact C-OG 3.26Å; G43-S84 PolarHBondContact O-OG 2.89Å; M80-S84 WeakPolarHBondContact O-CB 3.34Å; M80-S84 PolarHBondContact O-N 2.84Å; Q81-S84 PolarHBondContact O-N 3.29Å; S84-L87 PolarHBondContact O-N 3Å; S84-S88 WeakPolarHBondContact O-CB 3.29Å; S84-S88 PolarHBondContact O-N 3.43Å; S84-S88 PolarHBondContact O-OG 3.31Å
85T88.8Confident84.7Confident63 Ų6365.8 Ų65.839%0.38733%0.326SS..Hα-helixtrans-63.3-46.1175.4-52.60000111.2Q81 K82 L83 L87 S88 D89Q81-T85 PolarHBondContact O-N 3.02Å; Q81-T85 PolarHBondContact O-OG1 3.42Å; K82-T85 PolarHBondContact O-N 3.35Å; L83-T85 VanDerWaalsContact C-N 3.28Å; L83-T85 PolarHBondContact O-N 3.38Å; T85-L87 VanDerWaalsContact C-N 3.34Å; T85-L87 PolarHBondContact O-N 3.17Å; T85-S88 PolarHBondContact O-N 3.46Å; T85-D89 PolarHBondContact O-N 3.23Å
86Q89.2Confident82.7Confident98 Ų9869.1 Ų69.146%0.45835%0.345SS..Hα-helixtrans-63-38.8177.8-74.7-179.21.800112.7I6 K82 L83 D89 A90I6-Q86 HydrophobicContact CG2-CB 4.4Å; K82-Q86 WeakPolarHBondContact O-CG 3.45Å; K82-Q86 PolarHBondContact O-N 2.7Å; L83-Q86 PolarHBondContact O-N 2.94Å; L83-Q86 VanDerWaalsContact O-N 3.14Å; Q86-D89 PolarHBondContact O-N 2.98Å; Q86-A90 WeakPolarHBondContact O-CB 3.5Å; Q86-A90 PolarHBondContact O-N 3.42Å
87L88.9Confident80Confident14 Ų1475.9 Ų75.97%0.07338%0.376CS..Hα-helixtrans-67.4-41.5176.2-69173.3000111.6L3 I6 V7 L36 L39 L83 S84 T85 D89 A90 R91L3-L87 HydrophobicContact CB-CD2 4.03Å; L3-L87 HydrophobicContact CD2-CB 4.24Å; L3-L87 HydrophobicContact CD2-CD2 3.5Å; L3-L87 HydrophobicContact CD2-CG 4.47Å; L3-L87 HydrophobicContact CG-CD2 4.39Å; I6-L87 HydrophobicContact CB-CD2 4.26Å; I6-L87 HydrophobicContact CG2-CD2 4.2Å; V7-L87 HydrophobicContact CG2-CD1 3.93Å; V7-L87 HydrophobicContact CG2-CD2 3.93Å; V7-L87 HydrophobicContact CG2-CG 4.42Å; L36-L87 HydrophobicContact CD1-CD1 3.69Å; L36-L87 HydrophobicContact CD1-CD2 4.11Å; L39-L87 HydrophobicContact CB-CD1 3.91Å; L39-L87 HydrophobicContact CD1-CD1 3.74Å; L39-L87 HydrophobicContact CG-CD1 4.47Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.39Å; L83-L87 PolarHBondContact O-N 2.92Å; S84-L87 PolarHBondContact O-N 3Å; T85-L87 VanDerWaalsContact C-N 3.34Å; T85-L87 PolarHBondContact O-N 3.17Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-D89 PolarHBondContact O-N 3.2Å; L87-A90 PolarHBondContact O-N 2.94Å; L87-R91 WeakPolarHBondContact O-CB 2.83Å; L87-R91 PolarHBondContact O-N 2.94Å
88S86.3Confident77.8Confident40 Ų4080.3 Ų80.328%0.2840%0.403SS..Hα-helixtrans-60.4-44.8174.8-61.10000111.1S84 T85 R91 N92S84-S88 WeakPolarHBondContact O-CB 3.29Å; S84-S88 PolarHBondContact O-N 3.43Å; S84-S88 PolarHBondContact O-OG 3.31Å; T85-S88 PolarHBondContact O-N 3.46Å; S88-R91 PolarHBondContact O-N 3.46Å; S88-N92 WeakPolarHBondContact O-CB 3.31Å; S88-N92 PolarHBondContact O-N 2.91Å; S88-N92 PolarHBondContact O-ND2 2.98Å
89D85.9Confident75.3Confident81 Ų8185 Ų8543%0.43342%0.422SS..Hα-helixtrans-65.6-42176.7-77.6-17.6000113T85 Q86 L87 R91 N92 K93T85-D89 PolarHBondContact O-N 3.23Å; Q86-D89 PolarHBondContact O-N 2.98Å; L87-D89 VanDerWaalsContact C-N 3.34Å; L87-D89 PolarHBondContact O-N 3.2Å; D89-R91 VanDerWaalsContact C-N 3.34Å; D89-N92 PolarHBondContact O-N 3.33Å; D89-K93 VanDerWaalsContact O-CG 3.3Å; D89-K93 WeakPolarHBondContact O-CG 3.43Å; D89-K93 PolarHBondContact O-N 3.12Å
90A85.6Confident73Confident25 Ų2590 Ų9021%0.20746%0.459CS..Hα-helixtrans-63.3-41.7177.400000111.3L3 I6 Q86 L87 K93 E94L3-A90 HydrophobicContact CD2-CB 4.33Å; I6-A90 HydrophobicContact CD1-CB 3.48Å; I6-A90 VanDerWaalsContact CD1-CB 3.48Å; Q86-A90 WeakPolarHBondContact O-CB 3.5Å; Q86-A90 PolarHBondContact O-N 3.42Å; L87-A90 PolarHBondContact O-N 2.94Å; A90-K93 PolarHBondContact O-N 3.45Å; A90-E94 PolarHBondContact O-N 3.28Å
91R83.3Confident70.4Confident151 Ų15195.5 Ų95.557%0.5750%0.497SS*.Hα-helixtrans-64.3-40.4175.4-168.8178.2-169.7170.85.2112.1L87 S88 D89 K93 E94 N95L87-R91 WeakPolarHBondContact O-CB 2.83Å; L87-R91 PolarHBondContact O-N 2.94Å; S88-R91 PolarHBondContact O-N 3.46Å; D89-R91 VanDerWaalsContact C-N 3.34Å; R91-K93 VanDerWaalsContact C-N 3.28Å; R91-K93 PolarHBondContact O-N 2.95Å; R91-E94 PolarHBondContact O-N 3.23Å; R91-N95 PolarHBondContact O-N 3.03Å; R91-N95 PolarHBondContact O-ND2 3.22Å
92N76.6Confident67.6Low98 Ų9897 Ų9752%0.52452%0.516SS..Hα-helixtrans-65.6-32.5176-69.9-31.5000112.2S88 D89 L96S88-N92 WeakPolarHBondContact O-CB 3.31Å; S88-N92 PolarHBondContact O-N 2.91Å; S88-N92 PolarHBondContact O-ND2 2.98Å; D89-N92 PolarHBondContact O-N 3.33Å; N92-L96 WeakPolarHBondContact O-CG 3.42Å
93K71.9Confident64.8Low148 Ų14897.4 Ų97.464%0.64353%0.529SS*.Hα-helixtrans-75.4-34.8175.8-71.2169.2-176.11740113.1D89 A90 R91 N95 L96D89-K93 VanDerWaalsContact O-CG 3.3Å; D89-K93 WeakPolarHBondContact O-CG 3.43Å; D89-K93 PolarHBondContact O-N 3.12Å; A90-K93 PolarHBondContact O-N 3.45Å; R91-K93 VanDerWaalsContact C-N 3.28Å; R91-K93 PolarHBondContact O-N 2.95Å; K93-N95 VanDerWaalsContact C-N 3.28Å; K93-N95 PolarHBondContact O-N 3.33Å; K93-L96 PolarHBondContact O-N 3.48Å; K93-L96 VanDerWaalsContact O-N 3.12Å
94E57.6Low62.5Low136 Ų136106 Ų10664%0.63657%0.569SS**Hα-helixtrans-60.5-39.4172.9-171.6-175.5177.600111.3A90 R91 L96 H97A90-E94 PolarHBondContact O-N 3.28Å; R91-E94 PolarHBondContact O-N 3.23Å; E94-L96 PolarHBondContact O-N 2.98Å; E94-H97 PolarHBondContact O-N 3.45Å
95N54.8Low59.8Low124 Ų124109.5 Ų109.566%0.66361%0.606SS**THydrogen-bonded Turntrans-70.7-7.6176.3-74.7-75.7000114.5R91 K93R91-N95 PolarHBondContact O-N 3.03Å; R91-N95 PolarHBondContact O-ND2 3.22Å; K93-N95 VanDerWaalsContact C-N 3.28Å; K93-N95 PolarHBondContact O-N 3.33Å
96L50.5Low57.3Low141 Ų141115.5 Ų115.574%0.73863%0.63SS**THydrogen-bonded Turntrans-105.83.5178.4-68171.8000113.3N92 K93 E94 P98N92-L96 WeakPolarHBondContact O-CG 3.42Å; K93-L96 PolarHBondContact O-N 3.48Å; K93-L96 VanDerWaalsContact O-N 3.12Å; E94-L96 PolarHBondContact O-N 2.98Å; L96-P98 VanDerWaalsContact O-CD 3.27Å; L96-P98 WeakPolarHBondContact O-CD 3.22Å
97H35Very low54.7Low142 Ų142116.8 Ų116.866%0.65764%0.644SS**  trans-77.3112.6174.8-165.272.6000110.6E94 Q99E94-H97 PolarHBondContact O-N 3.45Å; H97-Q99 PolarHBondContact O-N 3.2Å
98P43.7Very low52.7Low101 Ų101121.6 Ų121.666%0.65668%0.676SS**  trans-79.5112.1177.111.45.1000108.7L96 S100L96-P98 VanDerWaalsContact O-CD 3.27Å; L96-P98 WeakPolarHBondContact O-CD 3.22Å; P98-S100 PolarHBondContact O-N 3.23Å
99Q39.2Very low49.9Very low184 Ų184127.7 Ų127.786%0.8670%0.703SS**  trans-60.6101.1159.3-75.1-99.7-49.800108.2H97 S101H97-Q99 PolarHBondContact O-N 3.2Å; Q99-S101 PolarHBondContact O-N 3.23Å
100S42.4Very low47.6Very low119 Ų119133.3 Ų133.383%0.83272%0.724SS**  trans-70.8104.4169.256.70000110P98P98-S100 PolarHBondContact O-N 3.23Å
101S37.3Very low45.7Very low115 Ų115136.9 Ų136.980%0.80475%0.745SS**  trans-157.9117.2140.171.50000110.8Q99Q99-S101 PolarHBondContact O-N 3.23Å
102C32.1Very low43Very low115 Ų115137.6 Ų137.678%0.77776%0.755SS**  trans-51.3128.7172.4176.70000113.4
103V31.4Very low40.9Very low143 Ų143139.2 Ų139.287%0.86777%0.769SS**  trans-144.6126.7133.7-176.60000109.1
104Q42.4Very low39.3Very low184 Ų184136.4 Ų136.486%0.8677%0.766SS**  trans-54139.5176.7-88.1163-26.900115.1
105G33.5Very low37.9Very low77 Ų77140.4 Ų140.479%0.79478%0.775SS**  trans-177.6108158.400000111.3
106Q35.4Very low36.8Very low190 Ų190142.6 Ų142.689%0.88878%0.781SS**  trans-61.9158179.2-52.9172-20.400111
107V33.8Very low35.9Very low125 Ų125142.2 Ų142.276%0.75879%0.787SS**  cis-168.8156.148.8169.60000107.4
108P47.2Very low35.4Very low114 Ų114143 Ų14374%0.7479%0.791SS**  trans-96.5149.2-16535.9-29.1000114.6
109I29Very low34.9Very low169 Ų169148 Ų14887%0.86780%0.802SS**  trans-145.5107.2163.8-56.4179.7000109.5
110F36.3Very low34.4Very low198 Ų198146.3 Ų146.387%0.86880%0.799SS**  trans-86.3166.5142.1-97.1-90000107.1
111P46.4Very low33.8Very low100 Ų100149.1 Ų149.165%0.64980%0.796SS**  cis-126.5-175.810.227.4-2.1000111.7
112E25.5Very low33.3Very low167 Ų167150.9 Ų150.978%0.7879%0.791SS**  165.5118.486.7-172.3165.6156.200109.9
113T34.3Very low33.1Very low131 Ų131151.2 Ų151.280%0.80479%0.786SS**  trans-64.5147.4147.628.70000108.4
114P38.4Very low32.9Very low89 Ų89149.3 Ų149.358%0.57877%0.774SS**  -165.8-177.966.644.5-22.4000119
115R26.9Very low32.1Very low220 Ų220151.2 Ų151.283%0.8377%0.773SS**  trans101.4114.5137.2-86.8163.1-156.5-171.22.1121.7
116Q31.6Very low32.1Very low171 Ų171152.7 Ų152.780%0.79977%0.772SS**  trans-40.2154.8143.2-66.7-175.9-30.100113.6
117P31.7Very low32.2Very low133 Ų133149.2 Ų149.286%0.86477%0.765SS**PPolyproline II helixtrans-88120157.627.8-18.1000111.3
118E25.3Very low31.9Very low159 Ų159147.9 Ų147.974%0.74377%0.768SS**PPolyproline II helixtrans-66.1149.7169.7-75.2175.291.500112.8
119K32.5Very low31.1Very low204 Ų204146.6 Ų146.689%0.88777%0.767SS**PPolyproline II helixtrans-67.6144.9156-71.6-172171.4-162.70111
120L28.2Very low31.2Very low149 Ų149145.5 Ų145.578%0.7877%0.768SS**  trans-144.3108.2159.1-125.6129.3000106.2
121K30.8Very low30.7Very low179 Ų179139.6 Ų139.678%0.77876%0.763SS**  55.7124.889.2-77.9-171.4175.5-175.50111.6
122E26.9Very low29.8Very low152 Ų152138.3 Ų138.371%0.7177%0.768SS**  -178.2159.661-125.2161.667.800104.9
123D27.1Very low30.2Very low122 Ų122136.1 Ų136.165%0.65277%0.767SS**  cis-175.7153.331.1-139.5-21.7000112.1
124T27.1Very low30.4Very low102 Ų102138.4 Ų138.463%0.62677%0.768SS**  trans75.6115136.3-70.60000123.5
125R27Very low30.1Very low224 Ų224141.2 Ų141.285%0.84578%0.778SS**  trans97.5104.1135.2-168.4174.9-81.4167.2-5.1119.9
126S32.9Very low30.6Very low108 Ų108138.9 Ų138.976%0.75578%0.777SS**  trans-69.5157.1149.6-280000110.4
127P37.9Very low30.7Very low117 Ų117135.1 Ų135.176%0.7678%0.775SS**  -152.6157.376.537.4-16.7000117.8
128A26.6Very low31Very low98 Ų98133.8 Ų133.881%0.8178%0.775SS**  trans49.4133.5138.300000124.5
129A30.3Very low31.2Very low87 Ų87128.6 Ų128.672%0.71977%0.765SS**  trans85.7113.8133.700000121.7
130T30.7Very low31.6Very low145 Ų145124.4 Ų124.489%0.8977%0.768SS**  60.7117.5128.3-33.10000121
131G27.2Very low32.3Very low75 Ų75124.6 Ų124.677%0.77377%0.765SS**  trans110.1110133.300000118.5
132G27.9Very low33.3Very low73 Ų73124.3 Ų124.375%0.75377%0.766SS**  68.3119.9125.100000122
133T32.8Very low34.7Very low121 Ų121125.9 Ų125.974%0.74277%0.773SS**  trans97.1104.6133.1-47.10000119.1
134Q38.5Very low36.2Very low178 Ų178122.5 Ų122.583%0.83276%0.755SS**  trans51.3127.2136.3-56.8171.8-11.500119.7
135N31.6Very low38.1Very low148 Ų148122 Ų12279%0.79175%0.748SS**  179.9130.891-149.717.1000112.8
136E38.5Very low40.3Very low171 Ų171117 Ų11780%0.79975%0.745SS**  trans19.2127.8146.3-71.9-97.69600121.2
137A32.7Very low42.6Very low92 Ų92112.8 Ų112.876%0.7672%0.718SS**  177.2127.5104.800000113.8
138A38.4Very low45.1Very low106 Ų106107.2 Ų107.288%0.87668%0.682SS**  trans66.190.6139.400000119.7
139G29Very low48.1Very low50 Ų50107.3 Ų107.352%0.51567%0.669SS.*  trans-170.310015300000107.2E141G139-E141 PolarHBondContact O-N 3.13Å
140A41.3Very low51Low116 Ų116106.1 Ų106.196%0.95965%0.653SS**  trans-75.862.917400000109.2
141E44Very low53.9Low153 Ų15399.2 Ų99.272%0.71561%0.61SS**  trans-80.1120144.512.1-98132.500104.9G139 E143G139-E141 PolarHBondContact O-N 3.13Å; E141-E143 PolarHBondContact O-N 3.25Å
142E51.9Low57Low173 Ų17397.9 Ų97.981%0.80859%0.585SS**  trans-61.587.8166.2-165.3170.4-160.200105.7L144E142-L144 PolarHBondContact O-N 3.49Å
143E55.9Low60Low184 Ų184101.9 Ų101.986%0.8658%0.584SS**  trans-65.188.5-173.6-153.7-179.3-161.600106.5E141 L145E141-E143 PolarHBondContact O-N 3.25Å; E143-L145 PolarHBondContact O-N 2.89Å
144L58.7Low62.8Low52 Ų52100 Ų10027%0.27257%0.573SS.*PPolyproline II helixtrans-53.6131.1176.8-69.7175.5000106.7E142 V148 D149 V160 Q164E142-L144 PolarHBondContact O-N 3.49Å; L144-V148 HydrophobicContact CB-CB 4.2Å; L144-V148 HydrophobicContact CB-CG1 4.46Å; L144-V148 HydrophobicContact CD1-CG1 4.45Å; L144-V148 HydrophobicContact CD2-CG1 4.29Å; L144-D149 WeakPolarHBondContact CD1-OD1 3.4Å; L144-V160 HydrophobicContact CD2-CG1 3.8Å; L144-Q164 VanDerWaalsContact CD2-NE2 3.27Å
145L66.2Low65.2Low90 Ų9093.8 Ų93.847%0.47154%0.543SS..PPolyproline II helixtrans-50.2137.2-178.8-69.5172.1000109.3E143 G147 V148E143-L145 PolarHBondContact O-N 2.89Å; L145-G147 PolarHBondContact O-N 3.33Å; L145-V148 HydrophobicContact CB-CG2 3.96Å; L145-V148 WeakPolarHBondContact O-CG2 3.46Å; L145-V148 PolarHBondContact O-N 3.44Å
146P73.4Confident67.8Low121 Ų12192.4 Ų92.479%0.78654%0.542SS*.THydrogen-bonded Turntrans-50117.6179.2-25.832.1000110.3
147G81.9Confident69.9Low19 Ų1990.8 Ų90.820%0.19654%0.544CS..THydrogen-bonded Turntrans108.7-13.7-179.200000116L145 V150 L151L145-G147 PolarHBondContact O-N 3.33Å; G147-V150 PolarHBondContact O-N 3.14Å; G147-L151 WeakPolarHBondContact O-CG 3.41Å; G147-L151 PolarHBondContact O-N 3.14Å; G147-L151 VanDerWaalsContact O-N 3.09Å
148V89.8Confident72.4Confident0 Ų087.1 Ų87.10%051%0.513CS..Hα-helixtrans-63.2-44.3176.3173.70000110.8L144 L145 V150 L151 L152 V160 A163 Q164 L167L144-V148 HydrophobicContact CB-CB 4.2Å; L144-V148 HydrophobicContact CB-CG1 4.46Å; L144-V148 HydrophobicContact CD1-CG1 4.45Å; L144-V148 HydrophobicContact CD2-CG1 4.29Å; L145-V148 HydrophobicContact CB-CG2 3.96Å; L145-V148 WeakPolarHBondContact O-CG2 3.46Å; L145-V148 PolarHBondContact O-N 3.44Å; V148-V150 VanDerWaalsContact C-N 3.28Å; V148-V150 PolarHBondContact O-N 3.46Å; V148-L151 PolarHBondContact O-N 3.14Å; V148-L151 VanDerWaalsContact O-N 3.16Å; V148-L152 HydrophobicContact CG1-CD1 3.91Å; V148-L152 HydrophobicContact CG1-CG 4.38Å; V148-L152 WeakPolarHBondContact O-CG 3.3Å; V148-L152 PolarHBondContact O-N 2.91Å; V148-V160 HydrophobicContact CG1-CG1 4.21Å; V148-A163 HydrophobicContact CG1-CB 4.01Å; V148-Q164 HydrophobicContact CG1-CG 4.2Å; V148-Q164 HydrophobicContact CG2-CB 4.49Å; V148-Q164 HydrophobicContact CG2-CG 3.61Å; V148-L167 HydrophobicContact CB-CD1 4.25Å; V148-L167 HydrophobicContact CG2-CD1 3.52Å
149D90.3Very high74.8Confident100 Ų10084.5 Ų84.554%0.53549%0.488SS..Hα-helixtrans-59.6-40.4178.8-62.1-34.6000111.9L144 L152 E153L144-D149 WeakPolarHBondContact CD1-OD1 3.4Å; D149-L152 PolarHBondContact O-N 2.93Å; D149-E153 WeakPolarHBondContact O-CB 3.49Å; D149-E153 PolarHBondContact O-N 3.45Å
150V90.9Very high77.7Confident62 Ų6285.1 Ų85.138%0.37648%0.482SS..Hα-helixtrans-65.4-42.6177.8-177.20000110.5G147 V148 L152 E153 V154 L174G147-V150 PolarHBondContact O-N 3.14Å; V148-V150 VanDerWaalsContact C-N 3.28Å; V148-V150 PolarHBondContact O-N 3.46Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.49Å; V150-E153 WeakPolarHBondContact O-CB 3.28Å; V150-E153 PolarHBondContact O-N 3.48Å; V150-V154 VanDerWaalsContact O-CG2 3.29Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 2.92Å; V150-L174 HydrophobicContact CB-CD2 4.48Å; V150-L174 HydrophobicContact CG1-CD2 3.96Å
151L90.9Very high79.9Confident0 Ų086 Ų860%047%0.465CS..Hα-helixtrans-64.3-36176.1-71.5-179.5000112.7G147 V148 E153 V154 F155 A163 L167 L174 A177 V178 L181G147-L151 WeakPolarHBondContact O-CG 3.41Å; G147-L151 PolarHBondContact O-N 3.14Å; G147-L151 VanDerWaalsContact O-N 3.09Å; V148-L151 PolarHBondContact O-N 3.14Å; V148-L151 VanDerWaalsContact O-N 3.16Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-V154 HydrophobicContact CD2-CG2 4.34Å; L151-F155 HydrophobicContact CD2-CD2 4.34Å; L151-F155 HydrophobicContact CD2-CE2 4.21Å; L151-F155 WeakPolarHBondContact O-CB 3.4Å; L151-F155 WeakPolarHBondContact O-CD2 3.35Å; L151-F155 PolarHBondContact O-N 3.18Å; L151-A163 HydrophobicContact CB-CB 3.87Å; L151-A163 HydrophobicContact CD1-CB 4.03Å; L151-L167 HydrophobicContact CD1-CD1 3.68Å; L151-L167 HydrophobicContact CD1-CD2 4.1Å; L151-L167 HydrophobicContact CD1-CG 3.58Å; L151-L174 HydrophobicContact CD1-CD1 4.33Å; L151-L174 HydrophobicContact CD2-CD1 3.75Å; L151-L174 HydrophobicContact CG-CD1 3.71Å; L151-A177 HydrophobicContact CD1-CB 4.04Å; L151-V178 HydrophobicContact CD2-CG2 3.49Å; L151-V178 VanDerWaalsContact CD2-CG2 3.49Å; L151-L181 HydrophobicContact CB-CD1 4.43Å; L151-L181 HydrophobicContact CD1-CD1 3.97Å; L151-L181 HydrophobicContact CD2-CD1 4.04Å; L151-L181 HydrophobicContact CG-CD1 4.39Å
152L91.4Very high82Confident47 Ų4781.6 Ų81.625%0.24645%0.445CS..Hα-helixtrans-72.4-29.8175.6-65.6170.9000112.1V148 D149 V150 F155 C158 V160 A163V148-L152 HydrophobicContact CG1-CD1 3.91Å; V148-L152 HydrophobicContact CG1-CG 4.38Å; V148-L152 WeakPolarHBondContact O-CG 3.3Å; V148-L152 PolarHBondContact O-N 2.91Å; D149-L152 PolarHBondContact O-N 2.93Å; V150-L152 VanDerWaalsContact C-N 3.32Å; V150-L152 PolarHBondContact O-N 3.49Å; L152-F155 CarbonylContact O-C 3.5Å; L152-C158 VanDerWaalsContact CD2-O 3.24Å; L152-C158 WeakPolarHBondContact CD2-O 3.5Å; L152-V160 HydrophobicContact CD1-CB 4.5Å; L152-V160 HydrophobicContact CD1-CG2 3.85Å; L152-V160 HydrophobicContact CD2-CG2 4.46Å; L152-A163 HydrophobicContact CD2-CB 4.37Å; L152-A163 HydrophobicContact CG-CB 4.45Å
153E91.2Very high83.7Confident157 Ų15773.4 Ų73.473%0.73441%0.407SS*.Hα-helixtrans-69.4-46.2172.9-172.7175.4-175.400111.6D149 V150 L151D149-E153 WeakPolarHBondContact O-CB 3.49Å; D149-E153 PolarHBondContact O-N 3.45Å; V150-E153 WeakPolarHBondContact O-CB 3.28Å; V150-E153 PolarHBondContact O-N 3.48Å; L151-E153 VanDerWaalsContact C-N 3.34Å
154V92.1Very high85.4Confident82 Ų8267.4 Ų67.450%0.49738%0.379SS..Hα-helixtrans-78.7-24.4-179.9-62.10000113.7V150 L151V150-V154 VanDerWaalsContact O-CG2 3.29Å; V150-V154 WeakPolarHBondContact O-CG2 3.33Å; V150-V154 PolarHBondContact O-N 2.92Å; L151-V154 HydrophobicContact CD2-CG2 4.34Å
155F89.3Confident86.8Confident47 Ų4768 Ų6821%0.20638%0.378CS..  trans-123.885.9177-60.1-74.3000111.9L151 L152 T157 C158 V178 L181 V182L151-F155 HydrophobicContact CD2-CD2 4.34Å; L151-F155 HydrophobicContact CD2-CE2 4.21Å; L151-F155 WeakPolarHBondContact O-CB 3.4Å; L151-F155 WeakPolarHBondContact O-CD2 3.35Å; L151-F155 PolarHBondContact O-N 3.18Å; L152-F155 CarbonylContact O-C 3.5Å; F155-T157 PolarHBondContact O-N 2.92Å; F155-C158 HydrophobicContact CB-CB 3.51Å; F155-C158 VanDerWaalsContact O-CB 3.23Å; F155-C158 WeakPolarHBondContact O-CB 3.41Å; F155-C158 PolarHBondContact O-N 3.25Å; F155-V178 HydrophobicContact CE2-CB 4.37Å; F155-V178 HydrophobicContact CE2-CG1 4.11Å; F155-V178 HydrophobicContact CE2-CG2 4.17Å; F155-V178 HydrophobicContact CZ-CG1 3.93Å; F155-L181 HydrophobicContact CD2-CB 4.43Å; F155-L181 HydrophobicContact CD2-CD1 3.96Å; F155-L181 HydrophobicContact CE2-CB 4.14Å; F155-L181 HydrophobicContact CE2-CD1 4.15Å; F155-L181 HydrophobicContact CZ-CB 4.35Å; F155-V182 HydrophobicContact CE1-CG2 3.78Å; F155-V182 HydrophobicContact CZ-CG2 3.63Å
156P86.5Confident87.8Confident118 Ų11863.8 Ų63.877%0.76636%0.356SS*.THydrogen-bonded Turntrans-62.7-16.1-178.3-24.834.4000115.3
157T82.4Confident88.6Confident137 Ų13758.3 Ų58.384%0.8432%0.319SS*.THydrogen-bonded Turntrans-96.5-6.7176.857.50000113.3F155F155-T157 PolarHBondContact O-N 2.92Å
158C85.3Confident88.9Confident16 Ų1660.5 Ų60.511%0.10834%0.336CS..  trans-78136178.2-173.10000109.5L152 F155 Q162L152-C158 VanDerWaalsContact CD2-O 3.24Å; L152-C158 WeakPolarHBondContact CD2-O 3.5Å; F155-C158 HydrophobicContact CB-CB 3.51Å; F155-C158 VanDerWaalsContact O-CB 3.23Å; F155-C158 WeakPolarHBondContact O-CB 3.41Å; F155-C158 PolarHBondContact O-N 3.25Å; C158-Q162 VanDerWaalsContact SG-CB 3.56Å
159S87.8Confident88.8Confident50 Ų5065.9 Ų65.935%0.3536%0.359SS..  trans-83.4157.8172.675.80000111.2E161 Q162 A163S159-E161 PolarHBondContact O-N 3.41Å; S159-Q162 WeakPolarHBondContact O-CB 3.27Å; S159-Q162 PolarHBondContact O-N 3.01Å; S159-Q162 WeakPolarHBondContact OG-CG 3.42Å; S159-Q162 PolarHBondContact OG-N 3.37Å; S159-A163 PolarHBondContact O-N 2.88Å
160V89.9Confident88.7Confident64 Ų6461.8 Ų61.839%0.38834%0.34SS..Hα-helixtrans-54.9-41176.6-175.70000111.1L144 V148 L152 Q162 A163 Q164L144-V160 HydrophobicContact CD2-CG1 3.8Å; V148-V160 HydrophobicContact CG1-CG1 4.21Å; L152-V160 HydrophobicContact CD1-CB 4.5Å; L152-V160 HydrophobicContact CD1-CG2 3.85Å; L152-V160 HydrophobicContact CD2-CG2 4.46Å; V160-Q162 PolarHBondContact O-N 3.16Å; V160-A163 PolarHBondContact O-N 3.15Å; V160-Q164 HydrophobicContact CG1-CG 4.43Å; V160-Q164 WeakPolarHBondContact O-CB 3.3Å; V160-Q164 VanDerWaalsContact O-CG 3.28Å; V160-Q164 WeakPolarHBondContact O-CG 3.43Å; V160-Q164 PolarHBondContact O-N 3.43Å
161E88Confident88.4Confident133 Ų13370.3 Ų70.362%0.62137%0.365SS*.Hα-helixtrans-65.3-37.2178.5-61-179.4179.600112.5S159 W165S159-E161 PolarHBondContact O-N 3.41Å; E161-W165 VanDerWaalsContact O-CB 3.23Å; E161-W165 WeakPolarHBondContact O-CB 3.42Å; E161-W165 PolarHBondContact O-N 3.47Å
162Q87.1Confident88.1Confident62 Ų6272.9 Ų72.929%0.2939%0.392SS..Hα-helixtrans-68.1-45.3176.8-75.7172.5-26.400111.5C158 S159 V160 W165 A166 L181 W192C158-Q162 VanDerWaalsContact SG-CB 3.56Å; S159-Q162 WeakPolarHBondContact O-CB 3.27Å; S159-Q162 PolarHBondContact O-N 3.01Å; S159-Q162 WeakPolarHBondContact OG-CG 3.42Å; S159-Q162 PolarHBondContact OG-N 3.37Å; V160-Q162 PolarHBondContact O-N 3.16Å; Q162-W165 PolarHBondContact O-N 3.04Å; Q162-A166 WeakPolarHBondContact O-CB 3.46Å; Q162-A166 PolarHBondContact O-N 3.36Å; Q162-L181 HydrophobicContact CB-CD2 4.32Å; Q162-W192 HydrophobicContact CB-CH2 4.43Å; Q162-W192 HydrophobicContact CB-CZ3 4.28Å; Q162-W192 HydrophobicContact CG-CE3 3.97Å; Q162-W192 HydrophobicContact CG-CH2 3.93Å; Q162-W192 HydrophobicContact CG-CZ3 3.62Å
163A89.4Confident88Confident0 Ų074.6 Ų74.60%040%0.401CS..Hα-helixtrans-63.2-44.6176.900000111.8V148 L151 L152 S159 V160 A166 L167V148-A163 HydrophobicContact CG1-CB 4.01Å; L151-A163 HydrophobicContact CB-CB 3.87Å; L151-A163 HydrophobicContact CD1-CB 4.03Å; L152-A163 HydrophobicContact CD2-CB 4.37Å; L152-A163 HydrophobicContact CG-CB 4.45Å; S159-A163 PolarHBondContact O-N 2.88Å; V160-A163 PolarHBondContact O-N 3.15Å; A163-A166 PolarHBondContact O-N 2.85Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CG 3.21Å; A163-L167 PolarHBondContact O-N 2.98Å
164Q90.4Very high88Confident59 Ų5970.1 Ų70.128%0.27638%0.382SS..Hα-helixtrans-62.9-42.7175.8-75.4176.4-8.400112.2L144 V148 V160 A168L144-Q164 VanDerWaalsContact CD2-NE2 3.27Å; V148-Q164 HydrophobicContact CG1-CG 4.2Å; V148-Q164 HydrophobicContact CG2-CB 4.49Å; V148-Q164 HydrophobicContact CG2-CG 3.61Å; V160-Q164 HydrophobicContact CG1-CG 4.43Å; V160-Q164 WeakPolarHBondContact O-CB 3.3Å; V160-Q164 VanDerWaalsContact O-CG 3.28Å; V160-Q164 WeakPolarHBondContact O-CG 3.43Å; V160-Q164 PolarHBondContact O-N 3.43Å; Q164-A168 VanDerWaalsContact O-CB 3.26Å; Q164-A168 WeakPolarHBondContact O-CB 3.25Å; Q164-A168 PolarHBondContact O-N 3.35Å
165W87.9Confident87.9Confident65 Ų6572.6 Ų72.625%0.24639%0.388CS..Hα-helixtrans-65.1-44177.4177.485.7000112.3E161 Q162 L167 A168 K169 M180 P189 W192E161-W165 VanDerWaalsContact O-CB 3.23Å; E161-W165 WeakPolarHBondContact O-CB 3.42Å; E161-W165 PolarHBondContact O-N 3.47Å; Q162-W165 PolarHBondContact O-N 3.04Å; W165-L167 PolarHBondContact O-N 3.42Å; W165-A168 PolarHBondContact O-N 3.15Å; W165-K169 HydrophobicContact CH2-CD 3.6Å; W165-K169 HydrophobicContact CZ2-CD 3.46Å; W165-K169 VanDerWaalsContact CZ2-CD 3.46Å; W165-K169 HydrophobicContact CZ3-CD 4.28Å; W165-K169 WeakPolarHBondContact O-CB 3.31Å; W165-K169 PolarHBondContact O-N 2.86Å; W165-M180 HydrophobicContact CH2-CE 4.03Å; W165-M180 HydrophobicContact CZ3-CE 3.99Å; W165-P189 HydrophobicContact CD2-CG 4.1Å; W165-P189 HydrophobicContact CG-CG 4.45Å; W165-P189 HydrophobicContact CH2-CG 4.37Å; W165-P189 HydrophobicContact CZ2-CG 3.56Å; W165-W192 HydrophobicContact CB-CH2 3.61Å; W165-W192 HydrophobicContact CB-CZ2 4.48Å; W165-W192 HydrophobicContact CB-CZ3 4.4Å; W165-W192 HydrophobicContact CD2-CH2 4.05Å; W165-W192 HydrophobicContact CD2-CZ3 4.12Å; W165-W192 HydrophobicContact CE3-CH2 4.34Å; W165-W192 HydrophobicContact CE3-CZ3 4.02Å; W165-W192 AromaticContact CG-CH2 3.72Å; W165-W192 HydrophobicContact CG-CH2 3.72Å; W165-W192 HydrophobicContact CG-CZ3 4.28Å
166A88.5Confident88Confident1 Ų175.6 Ų75.61%0.00840%0.403CS..Hα-helixtrans-60.9-45.6177.900000110.7Q162 A163 K169 A170 A177 L181Q162-A166 WeakPolarHBondContact O-CB 3.46Å; Q162-A166 PolarHBondContact O-N 3.36Å; A163-A166 PolarHBondContact O-N 2.85Å; A166-K169 PolarHBondContact O-N 2.93Å; A166-A170 WeakPolarHBondContact O-CB 3.15Å; A166-A170 PolarHBondContact O-N 3.14Å; A166-A177 HydrophobicContact CB-CB 4.08Å; A166-L181 HydrophobicContact CB-CD1 4.16Å; A166-L181 HydrophobicContact CB-CD2 4.17Å; A166-L181 HydrophobicContact CB-CG 3.86Å
167L90.1Very high88.2Confident5 Ų570 Ų703%0.02637%0.366CS..Hα-helixtrans-65.1-40.5175.6-75.4165.9000112.8V148 L151 A163 W165 K169 A170 R171 G172 L174 A177V148-L167 HydrophobicContact CB-CD1 4.25Å; V148-L167 HydrophobicContact CG2-CD1 3.52Å; L151-L167 HydrophobicContact CD1-CD1 3.68Å; L151-L167 HydrophobicContact CD1-CD2 4.1Å; L151-L167 HydrophobicContact CD1-CG 3.58Å; A163-L167 WeakPolarHBondContact O-CB 3.4Å; A163-L167 WeakPolarHBondContact O-CG 3.21Å; A163-L167 PolarHBondContact O-N 2.98Å; W165-L167 PolarHBondContact O-N 3.42Å; L167-K169 VanDerWaalsContact C-N 3.32Å; L167-K169 PolarHBondContact O-N 3.39Å; L167-A170 CarbonylContact O-C 3.47Å; L167-A170 PolarHBondContact O-N 2.94Å; L167-R171 PolarHBondContact O-N 3Å; L167-G172 PolarHBondContact O-N 3.42Å; L167-L174 HydrophobicContact CD2-CD1 4.17Å; L167-A177 HydrophobicContact CD2-CB 3.79Å; L167-A177 HydrophobicContact CG-CB 4.09Å
168A88.4Confident88.6Confident66 Ų6665.1 Ų65.155%0.54534%0.336SS..Hα-helixtrans-63.3-39.7176.400000111.6Q164 W165 R171Q164-A168 VanDerWaalsContact O-CB 3.26Å; Q164-A168 WeakPolarHBondContact O-CB 3.25Å; Q164-A168 PolarHBondContact O-N 3.35Å; W165-A168 PolarHBondContact O-N 3.15Å; A168-R171 PolarHBondContact O-N 2.7Å
169K86.6Confident88.8Confident112 Ų11268.3 Ų68.349%0.48735%0.35SS..Hα-helixtrans-72.7-37.9178.1-170.2163.8170.6-163.70112.1W165 A166 L167 R171 M180W165-K169 HydrophobicContact CH2-CD 3.6Å; W165-K169 HydrophobicContact CZ2-CD 3.46Å; W165-K169 VanDerWaalsContact CZ2-CD 3.46Å; W165-K169 HydrophobicContact CZ3-CD 4.28Å; W165-K169 WeakPolarHBondContact O-CB 3.31Å; W165-K169 PolarHBondContact O-N 2.86Å; A166-K169 PolarHBondContact O-N 2.93Å; L167-K169 VanDerWaalsContact C-N 3.32Å; L167-K169 PolarHBondContact O-N 3.39Å; K169-R171 PolarHBondContact O-N 2.87Å; K169-M180 HydrophobicContact CB-CE 4.37Å; K169-M180 HydrophobicContact CB-SD 4.37Å; K169-M180 HydrophobicContact CD-CE 3.41Å; K169-M180 VanDerWaalsContact CD-CE 3.41Å; K169-M180 HydrophobicContact CD-SD 4.27Å; K169-M180 HydrophobicContact CG-CE 3.9Å; K169-M180 HydrophobicContact CG-SD 4.09Å
170A88.9Confident88.6Confident15 Ų1567.6 Ų67.612%0.12434%0.341CS..THydrogen-bonded Turntrans-77.43.3173.200000113.8A166 L167 G172 D173 E176 A177A166-A170 WeakPolarHBondContact O-CB 3.15Å; A166-A170 PolarHBondContact O-N 3.14Å; L167-A170 CarbonylContact O-C 3.47Å; L167-A170 PolarHBondContact O-N 2.94Å; A170-G172 PolarHBondContact O-N 3.49Å; A170-D173 HydrophobicContact CB-CB 4.45Å; A170-D173 VanDerWaalsContact CB-O 3.28Å; A170-D173 WeakPolarHBondContact CB-O 3.3Å; A170-D173 WeakPolarHBondContact O-CB 3.46Å; A170-D173 PolarHBondContact O-N 2.94Å; A170-E176 HydrophobicContact CB-CB 3.88Å; A170-A177 HydrophobicContact CB-CB 3.95Å
171R85Confident88.5Confident240 Ų24066.1 Ų66.191%0.90633%0.331SS*.THydrogen-bonded Turntrans56.133.4-180-53.4-179.1177.2-151.5-1.2113.6L167 A168 K169L167-R171 PolarHBondContact O-N 3Å; A168-R171 PolarHBondContact O-N 2.7Å; K169-R171 PolarHBondContact O-N 2.87Å
172G83.7Confident88.4Confident54 Ų5464.1 Ų64.156%0.55733%0.327SS*.THydrogen-bonded Turntrans856.5-179.100000114.9L167 A170L167-G172 PolarHBondContact O-N 3.42Å; A170-G172 PolarHBondContact O-N 3.49Å
173D89.9Confident88.1Confident84 Ų8467.3 Ų67.345%0.44934%0.342SS..  trans-79.5118.2169.7-165.4-26.7000110.1A170 E175 E176 A177A170-D173 HydrophobicContact CB-CB 4.45Å; A170-D173 VanDerWaalsContact CB-O 3.28Å; A170-D173 WeakPolarHBondContact CB-O 3.3Å; A170-D173 WeakPolarHBondContact O-CB 3.46Å; A170-D173 PolarHBondContact O-N 2.94Å; D173-E175 PolarHBondContact OD1-N 3.49Å; D173-E176 HydrophobicContact CB-CB 4.12Å; D173-E176 HydrophobicContact CB-CG 4.31Å; D173-A177 VanDerWaalsContact O-CB 3.3Å; D173-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 PolarHBondContact O-N 2.95Å; D173-A177 VanDerWaalsContact O-N 3.11Å
174L91.1Very high86.7Confident63 Ų6369 Ų6933%0.3335%0.354SS..Hα-helixtrans-70.3-40-177.4-172.771000111.4V150 L151 L167 A177 V178V150-L174 HydrophobicContact CB-CD2 4.48Å; V150-L174 HydrophobicContact CG1-CD2 3.96Å; L151-L174 HydrophobicContact CD1-CD1 4.33Å; L151-L174 HydrophobicContact CD2-CD1 3.75Å; L151-L174 HydrophobicContact CG-CD1 3.71Å; L167-L174 HydrophobicContact CD2-CD1 4.17Å; L174-A177 PolarHBondContact O-N 3.36Å; L174-V178 HydrophobicContact CG-CG2 4.47Å; L174-V178 VanDerWaalsContact O-CG2 3.23Å; L174-V178 WeakPolarHBondContact O-CG2 3.04Å; L174-V178 PolarHBondContact O-N 3.35Å
175E90.9Very high85.1Confident133 Ų13375.7 Ų75.762%0.62138%0.382SS*.Hα-helixtrans-67.6-44.7-175.4-169.668.1-159.100110.4D173 A177 V178 Q179D173-E175 PolarHBondContact OD1-N 3.49Å; E175-A177 VanDerWaalsContact C-N 3.34Å; E175-A177 PolarHBondContact O-N 3.04Å; E175-V178 WeakPolarHBondContact O-CB 3.3Å; E175-V178 PolarHBondContact O-N 3.29Å; E175-Q179 PolarHBondContact O-N 3.03Å
176E89.4Confident83.3Confident110 Ų11081.4 Ų81.451%0.51441%0.412SS..Hα-helixtrans-64-39.5173.6-71.8-70.3141.700111.1A170 D173 V178 Q179 M180A170-E176 HydrophobicContact CB-CB 3.88Å; D173-E176 HydrophobicContact CB-CB 4.12Å; D173-E176 HydrophobicContact CB-CG 4.31Å; E176-V178 VanDerWaalsContact C-N 3.35Å; E176-V178 PolarHBondContact O-N 3.44Å; E176-Q179 PolarHBondContact O-N 3Å; E176-M180 VanDerWaalsContact O-CB 3.31Å; E176-M180 WeakPolarHBondContact O-CB 3.19Å; E176-M180 WeakPolarHBondContact O-CG 2.91Å; E176-M180 PolarHBondContact O-N 3.27Å
177A90.9Very high81.5Confident0 Ų089 Ų890%045%0.447CS..Hα-helixtrans-64.2-37.6175.500000112.7L151 A166 L167 A170 D173 L174 E175 L181L151-A177 HydrophobicContact CD1-CB 4.04Å; A166-A177 HydrophobicContact CB-CB 4.08Å; L167-A177 HydrophobicContact CD2-CB 3.79Å; L167-A177 HydrophobicContact CG-CB 4.09Å; A170-A177 HydrophobicContact CB-CB 3.95Å; D173-A177 VanDerWaalsContact O-CB 3.3Å; D173-A177 WeakPolarHBondContact O-CB 3.35Å; D173-A177 PolarHBondContact O-N 2.95Å; D173-A177 VanDerWaalsContact O-N 3.11Å; L174-A177 PolarHBondContact O-N 3.36Å; E175-A177 VanDerWaalsContact C-N 3.34Å; E175-A177 PolarHBondContact O-N 3.04Å; A177-L181 WeakPolarHBondContact O-CG 3.4Å; A177-L181 PolarHBondContact O-N 2.86Å
178V91.2Very high79.9Confident36 Ų3690.4 Ų90.422%0.21846%0.463CS..Hα-helixtrans-63.3-51.5173.21680000110L151 F155 L174 E175 E176 M180 L181 V182L151-V178 HydrophobicContact CD2-CG2 3.49Å; L151-V178 VanDerWaalsContact CD2-CG2 3.49Å; F155-V178 HydrophobicContact CE2-CB 4.37Å; F155-V178 HydrophobicContact CE2-CG1 4.11Å; F155-V178 HydrophobicContact CE2-CG2 4.17Å; F155-V178 HydrophobicContact CZ-CG1 3.93Å; L174-V178 HydrophobicContact CG-CG2 4.47Å; L174-V178 VanDerWaalsContact O-CG2 3.23Å; L174-V178 WeakPolarHBondContact O-CG2 3.04Å; L174-V178 PolarHBondContact O-N 3.35Å; E175-V178 WeakPolarHBondContact O-CB 3.3Å; E175-V178 PolarHBondContact O-N 3.29Å; E176-V178 VanDerWaalsContact C-N 3.35Å; E176-V178 PolarHBondContact O-N 3.44Å; V178-M180 VanDerWaalsContact C-N 3.26Å; V178-M180 PolarHBondContact O-N 3.38Å; V178-L181 PolarHBondContact O-N 2.84Å; V178-L181 VanDerWaalsContact O-N 3.07Å; V178-V182 WeakPolarHBondContact O-CG2 3.33Å; V178-V182 PolarHBondContact O-N 2.74Å
179Q89.8Confident78.3Confident83 Ų8389 Ų8939%0.38845%0.448SS..Hα-helixtrans-57.2-44.3179-169.764.524.300110.7E175 E176 L181 V182 E183E175-Q179 PolarHBondContact O-N 3.03Å; E176-Q179 PolarHBondContact O-N 3Å; Q179-L181 PolarHBondContact O-N 3.44Å; Q179-V182 PolarHBondContact O-N 2.79Å; Q179-E183 HydrophobicContact CG-CG 4.41Å; Q179-E183 PolarHBondContact NE2-OE1 2.87Å; Q179-E183 WeakPolarHBondContact O-CB 3.37Å; Q179-E183 WeakPolarHBondContact O-CG 3.36Å; Q179-E183 PolarHBondContact O-N 2.87Å
180M84.4Confident76.5Confident35 Ų3590.4 Ų90.417%0.17247%0.469CS..Hα-helixtrans-61.2-43.3175-75.4-165.46600112.8W165 K169 E176 V178 V182 E183 S184W165-M180 HydrophobicContact CH2-CE 4.03Å; W165-M180 HydrophobicContact CZ3-CE 3.99Å; K169-M180 HydrophobicContact CB-CE 4.37Å; K169-M180 HydrophobicContact CB-SD 4.37Å; K169-M180 HydrophobicContact CD-CE 3.41Å; K169-M180 VanDerWaalsContact CD-CE 3.41Å; K169-M180 HydrophobicContact CD-SD 4.27Å; K169-M180 HydrophobicContact CG-CE 3.9Å; K169-M180 HydrophobicContact CG-SD 4.09Å; E176-M180 VanDerWaalsContact O-CB 3.31Å; E176-M180 WeakPolarHBondContact O-CB 3.19Å; E176-M180 WeakPolarHBondContact O-CG 2.91Å; E176-M180 PolarHBondContact O-N 3.27Å; V178-M180 VanDerWaalsContact C-N 3.26Å; V178-M180 PolarHBondContact O-N 3.38Å; M180-V182 VanDerWaalsContact C-N 3.31Å; M180-V182 PolarHBondContact O-N 3.42Å; M180-E183 PolarHBondContact O-N 2.89Å; M180-S184 WeakPolarHBondContact O-CA 3.34Å; M180-S184 WeakPolarHBondContact O-CB 3.23Å; M180-S184 PolarHBondContact O-N 3.39Å; M180-S184 PolarHBondContact O-OG 3.38Å
181L86.7Confident74.8Confident33 Ų3392.7 Ų92.717%0.17349%0.494CS..Hα-helixtrans-67.5-30.7177.6-77.2170.1000112.9L151 F155 Q162 A166 A177 V178 Q179L151-L181 HydrophobicContact CB-CD1 4.43Å; L151-L181 HydrophobicContact CD1-CD1 3.97Å; L151-L181 HydrophobicContact CD2-CD1 4.04Å; L151-L181 HydrophobicContact CG-CD1 4.39Å; F155-L181 HydrophobicContact CD2-CB 4.43Å; F155-L181 HydrophobicContact CD2-CD1 3.96Å; F155-L181 HydrophobicContact CE2-CB 4.14Å; F155-L181 HydrophobicContact CE2-CD1 4.15Å; F155-L181 HydrophobicContact CZ-CB 4.35Å; Q162-L181 HydrophobicContact CB-CD2 4.32Å; A166-L181 HydrophobicContact CB-CD1 4.16Å; A166-L181 HydrophobicContact CB-CD2 4.17Å; A166-L181 HydrophobicContact CB-CG 3.86Å; A177-L181 WeakPolarHBondContact O-CG 3.4Å; A177-L181 PolarHBondContact O-N 2.86Å; V178-L181 PolarHBondContact O-N 2.84Å; V178-L181 VanDerWaalsContact O-N 3.07Å; Q179-L181 PolarHBondContact O-N 3.44Å
182V86.8Confident73.4Confident90 Ų9086.2 Ų86.255%0.54547%0.469SS..Hα-helixtrans-74.6-41.4175.7174.80000111.6F155 V178 Q179 M180F155-V182 HydrophobicContact CE1-CG2 3.78Å; F155-V182 HydrophobicContact CZ-CG2 3.63Å; V178-V182 WeakPolarHBondContact O-CG2 3.33Å; V178-V182 PolarHBondContact O-N 2.74Å; Q179-V182 PolarHBondContact O-N 2.79Å; M180-V182 VanDerWaalsContact C-N 3.31Å; M180-V182 PolarHBondContact O-N 3.42Å
183E80.2Confident71.8Confident129 Ų12990.7 Ų90.760%0.60348%0.481SS*.Hα-helixtrans-81.5-30.7-178.5-69179.816900113.2Q179 M180 K185Q179-E183 HydrophobicContact CG-CG 4.41Å; Q179-E183 PolarHBondContact NE2-OE1 2.87Å; Q179-E183 WeakPolarHBondContact O-CB 3.37Å; Q179-E183 WeakPolarHBondContact O-CG 3.36Å; Q179-E183 PolarHBondContact O-N 2.87Å; M180-E183 PolarHBondContact O-N 2.89Å; E183-K185 PolarHBondContact O-N 2.82Å
184S60.8Low69.5Low35 Ų3588.9 Ų88.925%0.24548%0.482CS..THydrogen-bonded Turntrans-75.424.5-170.462.90000116.3M180 E186M180-S184 WeakPolarHBondContact O-CA 3.34Å; M180-S184 WeakPolarHBondContact O-CB 3.23Å; M180-S184 PolarHBondContact O-N 3.39Å; M180-S184 PolarHBondContact O-OG 3.38Å; S184-E186 PolarHBondContact O-N 3.42Å
185K56.2Low67.4Low201 Ų20191.1 Ų91.187%0.87450%0.5SS*.THydrogen-bonded Turntrans-62.2-7.3162.6-155.4173.3-179.3177.50112.5E183E183-K185 PolarHBondContact O-N 2.82Å
186E49.5Very low65.2Low185 Ų18591 Ų9186%0.86450%0.504SS*.SBendtrans-131.9-11-177.4-149.2171-178.700116S184S184-E186 PolarHBondContact O-N 3.42Å
187E51Low63.3Low160 Ų16093.5 Ų93.575%0.74852%0.516SS*.  trans-140.957.6-173.8-154166.8-178.700114
188G56.5Low61.2Low35 Ų35101.4 Ų101.436%0.36156%0.558SS.*SBendtrans-87.3172.5166.900000113.1
189P55.8Low59.2Low35 Ų35103.8 Ų103.823%0.22757%0.569CS.*  trans-54.5144.5170.5-21.233000111.8W165 G191 W192W165-P189 HydrophobicContact CD2-CG 4.1Å; W165-P189 HydrophobicContact CG-CG 4.45Å; W165-P189 HydrophobicContact CH2-CG 4.37Å; W165-P189 HydrophobicContact CZ2-CG 3.56Å; P189-G191 PolarHBondContact O-N 2.77Å; P189-W192 HydrophobicContact CG-CD2 4.44Å; P189-W192 HydrophobicContact CG-CE3 4.33Å; P189-W192 HydrophobicContact CG-CH2 4.37Å; P189-W192 HydrophobicContact CG-CZ2 4.47Å; P189-W192 HydrophobicContact CG-CZ3 4.28Å; P189-W192 PolarHBondContact O-N 3.45Å
190P48.1Very low57.2Low142 Ų142104 Ų10492%0.92258%0.578SS**THydrogen-bonded Turntrans-65.4101.617826.6-32.4000109.4
191G52.9Low55.8Low63 Ų63113.9 Ų113.965%0.64961%0.613SS**THydrogen-bonded Turntrans151.4-14.5-175.500000114.4P189P189-G191 PolarHBondContact O-N 2.77Å
192W54.8Low54.2Low104 Ų104123.2 Ų123.239%0.39465%0.646SS.*SBendtrans-96.4-8.9177-63.1-8.7000114Q162 W165 P189 G194Q162-W192 HydrophobicContact CB-CH2 4.43Å; Q162-W192 HydrophobicContact CB-CZ3 4.28Å; Q162-W192 HydrophobicContact CG-CE3 3.97Å; Q162-W192 HydrophobicContact CG-CH2 3.93Å; Q162-W192 HydrophobicContact CG-CZ3 3.62Å; W165-W192 HydrophobicContact CB-CH2 3.61Å; W165-W192 HydrophobicContact CB-CZ2 4.48Å; W165-W192 HydrophobicContact CB-CZ3 4.4Å; W165-W192 HydrophobicContact CD2-CH2 4.05Å; W165-W192 HydrophobicContact CD2-CZ3 4.12Å; W165-W192 HydrophobicContact CE3-CH2 4.34Å; W165-W192 HydrophobicContact CE3-CZ3 4.02Å; W165-W192 AromaticContact CG-CH2 3.72Å; W165-W192 HydrophobicContact CG-CH2 3.72Å; W165-W192 HydrophobicContact CG-CZ3 4.28Å; P189-W192 HydrophobicContact CG-CD2 4.44Å; P189-W192 HydrophobicContact CG-CE3 4.33Å; P189-W192 HydrophobicContact CG-CH2 4.37Å; P189-W192 HydrophobicContact CG-CZ2 4.47Å; P189-W192 HydrophobicContact CG-CZ3 4.28Å; P189-W192 PolarHBondContact O-N 3.45Å; W192-G194 PolarHBondContact O-N 2.98Å
193D50.6Low52.5Low149 Ų149125.3 Ų125.380%0.79765%0.653SS**  trans-78.758.3161.1-69.7-48.5000110.9
194G42.8Very low51.8Low46 Ų46129.9 Ų129.947%0.47467%0.665SS.*  trans-86.2143168.300000110.2W192 N196W192-G194 PolarHBondContact O-N 2.98Å; G194-N196 PolarHBondContact O-N 3.38Å
195P45.4Very low51.9Low110 Ų110130.9 Ų130.971%0.71468%0.68SS**  trans-59.7119.7177.927.6-32.2000107.6Q197P195-Q197 HydrophobicContact CB-CG 4.45Å; P195-Q197 PolarHBondContact O-N 3.27Å
196N45.9Very low52.6Low130 Ų130122.8 Ų122.870%0.69565%0.649SS**  trans-61.671.1-179.6-154-22.2000110.6G194 L199G194-N196 PolarHBondContact O-N 3.38Å; N196-L199 WeakPolarHBondContact OD1-CD1 3.48Å; N196-L199 WeakPolarHBondContact OD1-CG 3.46Å
197Q49.9Very low54Low163 Ų163120.1 Ų120.176%0.76264%0.636SS**  trans-112.72.8-174.4-79.7-144.867.600114.3P195P195-Q197 HydrophobicContact CB-CG 4.45Å; P195-Q197 PolarHBondContact O-N 3.27Å
198D45Very low55.4Low165 Ų165121.4 Ų121.488%0.88264%0.639SS**  trans-127.135.6169.6-77.7-41.5000112.6
199L51.1Low56.7Low87 Ų87126.1 Ų126.146%0.45566%0.656SS.*SBendtrans-63128.2152.9-88.8161.6000107.6N196 R201 L203N196-L199 WeakPolarHBondContact OD1-CD1 3.48Å; N196-L199 WeakPolarHBondContact OD1-CG 3.46Å; L199-R201 PolarHBondContact O-N 3.31Å; L199-L203 HydrophobicContact CD2-CD1 3.89Å
200P46.4Very low58.2Low88 Ų88129.9 Ų129.957%0.57167%0.671SS**  trans-52.4126.2165.321.2-29.3000106.6R202 L203P200-R202 PolarHBondContact O-N 3.14Å; P200-L203 PolarHBondContact O-N 2.84Å
201R54.8Low60.1Low242 Ų242126.4 Ų126.491%0.91364%0.644SS**THydrogen-bonded Turntrans-48.8-2.5-174.9-125.3176.2-76.3-153.1-3.6115.8L199L199-R201 PolarHBondContact O-N 3.31Å
202R52.7Low61.9Low229 Ų229131.6 Ų131.686%0.86465%0.648SS**THydrogen-bonded Turntrans-68.8-21.2176.8-69.2-85.3-142.8-121.2-2.3115.3P200P200-R202 PolarHBondContact O-N 3.14Å
203L52.4Low63.4Low133 Ų133129.9 Ų129.970%0.69665%0.653SS**SBendtrans-106.2-6.2-174.3-65.7179000115L199 P200 G205L199-L203 HydrophobicContact CD2-CD1 3.89Å; P200-L203 PolarHBondContact O-N 2.84Å; L203-G205 PolarHBondContact O-N 3.08Å
204R64.3Low65.2Low226 Ų226126.8 Ų126.885%0.85363%0.632SS**SBendtrans-79.4114.1170.9-165.4175.3-167.8178.43.5108.4
205G63.7Low67.4Low55 Ų55128.3 Ų128.357%0.56763%0.628SS**PPolyproline II helixtrans-53.6145.4171.500000110.8L203L203-G205 PolarHBondContact O-N 3.08Å
206P71.5Confident69.4Low32 Ų32127.4 Ų127.421%0.20862%0.617CS.*PPolyproline II helixtrans-60.8149.6-177.7-15.127.1000111E210 L211 F214P206-E210 HydrophobicContact CB-CB 4.44Å; P206-L211 HydrophobicContact CB-CB 4.31Å; P206-L211 HydrophobicContact CB-CD1 4.22Å; P206-L211 HydrophobicContact CG-CD1 3.82Å; P206-F214 HydrophobicContact CB-CB 3.83Å; P206-F214 HydrophobicContact CB-CD1 4.48Å; P206-F214 HydrophobicContact CB-CG 4.09Å; P206-F214 HydrophobicContact CG-CB 3.3Å; P206-F214 HydrophobicContact CG-CD1 3.16Å; P206-F214 HydrophobicContact CG-CD2 3.62Å; P206-F214 HydrophobicContact CG-CE1 3.72Å; P206-F214 HydrophobicContact CG-CE2 4.13Å; P206-F214 HydrophobicContact CG-CG 3.08Å; P206-F214 HydrophobicContact CG-CZ 4.17Å
207Q78.9Confident71.3Confident128 Ų128129.2 Ų129.260%0.59862%0.621SS**PPolyproline II helixtrans-57.8148167.7-173.9171.1-11.100109.7D209 E210 L211Q207-D209 PolarHBondContact O-N 3.24Å; Q207-E210 CarbonylContact O-C 3.43Å; Q207-E210 WeakPolarHBondContact O-CA 3.29Å; Q207-E210 PolarHBondContact O-N 3.38Å; Q207-L211 PolarHBondContact O-N 3.01Å
208K79.4Confident73.1Confident187 Ų187127.4 Ų127.481%0.81361%0.611SS**THydrogen-bonded Turntrans-50.9-35.4-175.6-76.2-173.8175-178.70113.5E210K208-E210 VanDerWaalsContact C-N 3.33Å
209D84.6Confident75.1Confident134 Ų134127 Ų12772%0.71760%0.598SS**THydrogen-bonded Turntrans-73.2-26.3179.9-54.8-43.9000112.7Q207Q207-D209 PolarHBondContact O-N 3.24Å
210E86.5Confident76.6Confident115 Ų115127.6 Ų127.654%0.53760%0.6SS.*THydrogen-bonded Turntrans-103-6.9-179.3-61.2179.9174.400113.1P206 Q207 K208 K212 S213 F214P206-E210 HydrophobicContact CB-CB 4.44Å; Q207-E210 CarbonylContact O-C 3.43Å; Q207-E210 WeakPolarHBondContact O-CA 3.29Å; Q207-E210 PolarHBondContact O-N 3.38Å; K208-E210 VanDerWaalsContact C-N 3.33Å; E210-K212 VanDerWaalsContact C-N 3.28Å; E210-K212 PolarHBondContact O-N 3.49Å; E210-S213 WeakPolarHBondContact CA-OG 3.18Å; E210-S213 PolarHBondContact O-N 3.45Å; E210-S213 PolarHBondContact O-OG 3.35Å; E210-F214 WeakPolarHBondContact O-CB 3.32Å; E210-F214 PolarHBondContact O-N 3.4Å
211L88.9Confident78Confident69 Ų69132.4 Ų132.436%0.36162%0.617SS.*Hα-helixtrans-59.7-39.8-178.5-177.961.6000111.6P206 Q207 F214 I215P206-L211 HydrophobicContact CB-CB 4.31Å; P206-L211 HydrophobicContact CB-CD1 4.22Å; P206-L211 HydrophobicContact CG-CD1 3.82Å; Q207-L211 PolarHBondContact O-N 3.01Å; L211-F214 PolarHBondContact O-N 3.03Å; L211-I215 HydrophobicContact CD1-CD1 3.8Å; L211-I215 HydrophobicContact CD1-CG1 4.09Å; L211-I215 HydrophobicContact CD2-CD1 4.49Å; L211-I215 HydrophobicContact CG-CD1 3.75Å; L211-I215 HydrophobicContact CG-CG1 4.41Å; L211-I215 WeakPolarHBondContact O-CB 3.39Å; L211-I215 WeakPolarHBondContact O-CG1 3.24Å; L211-I215 PolarHBondContact O-N 3.36Å
212K89.5Confident79Confident171 Ų171123.9 Ų123.974%0.74359%0.592SS**Hα-helixtrans-62.6-48.1177-67.7-175.8179.8-178.90111.7E210 F214 I215 L216E210-K212 VanDerWaalsContact C-N 3.28Å; E210-K212 PolarHBondContact O-N 3.49Å; K212-F214 VanDerWaalsContact C-N 3.34Å; K212-I215 PolarHBondContact O-N 3.49Å; K212-L216 WeakPolarHBondContact O-CB 3.45Å; K212-L216 PolarHBondContact O-N 3.25Å
213S86.2Confident80.1Confident69 Ų69117.6 Ų117.648%0.48358%0.575SS.*Hα-helixtrans-64.8-38.1177.338.10000112.2E210 Q217E210-S213 WeakPolarHBondContact CA-OG 3.18Å; E210-S213 PolarHBondContact O-N 3.45Å; E210-S213 PolarHBondContact O-OG 3.35Å; S213-Q217 VanDerWaalsContact O-CB 3.25Å; S213-Q217 WeakPolarHBondContact O-CB 3.23Å; S213-Q217 PolarHBondContact O-N 3.05Å
214F88.6Confident81.3Confident83 Ų83114.4 Ų114.436%0.36457%0.565SS.*Hα-helixtrans-67.5-44.3177.8176.6-94.4000112.4P206 E210 L211 K212 Q217 K218P206-F214 HydrophobicContact CB-CB 3.83Å; P206-F214 HydrophobicContact CB-CD1 4.48Å; P206-F214 HydrophobicContact CB-CG 4.09Å; P206-F214 HydrophobicContact CG-CB 3.3Å; P206-F214 HydrophobicContact CG-CD1 3.16Å; P206-F214 HydrophobicContact CG-CD2 3.62Å; P206-F214 HydrophobicContact CG-CE1 3.72Å; P206-F214 HydrophobicContact CG-CE2 4.13Å; P206-F214 HydrophobicContact CG-CG 3.08Å; P206-F214 HydrophobicContact CG-CZ 4.17Å; E210-F214 WeakPolarHBondContact O-CB 3.32Å; E210-F214 PolarHBondContact O-N 3.4Å; L211-F214 PolarHBondContact O-N 3.03Å; K212-F214 VanDerWaalsContact C-N 3.34Å; F214-Q217 PolarHBondContact O-N 3.44Å; F214-K218 HydrophobicContact CE1-CD 3.84Å; F214-K218 HydrophobicContact CZ-CD 3.97Å; F214-K218 WeakPolarHBondContact O-CB 3.31Å; F214-K218 PolarHBondContact O-N 3Å
215I89.3Confident81.9Confident78 Ų78107.2 Ų107.240%0.455%0.553SS.*Hα-helixtrans-63.8-45.6176.8-68.1168.5000109.6L211 K212 K218 Y219L211-I215 HydrophobicContact CD1-CD1 3.8Å; L211-I215 HydrophobicContact CD1-CG1 4.09Å; L211-I215 HydrophobicContact CD2-CD1 4.49Å; L211-I215 HydrophobicContact CG-CD1 3.75Å; L211-I215 HydrophobicContact CG-CG1 4.41Å; L211-I215 WeakPolarHBondContact O-CB 3.39Å; L211-I215 WeakPolarHBondContact O-CG1 3.24Å; L211-I215 PolarHBondContact O-N 3.36Å; K212-I215 PolarHBondContact O-N 3.49Å; I215-K218 PolarHBondContact O-N 2.62Å; I215-Y219 HydrophobicContact CG2-CD2 3.99Å; I215-Y219 WeakPolarHBondContact O-CB 3.3Å; I215-Y219 VanDerWaalsContact O-CD2 3.31Å; I215-Y219 WeakPolarHBondContact O-CD2 3.5Å; I215-Y219 PolarHBondContact O-N 3.02Å
216L88.5Confident82.4Confident92 Ų92110 Ų11048%0.48255%0.552SS.*Hα-helixtrans-58.2-52.4173.9-105.871.6000110.9K212 K218 Y219 M220K212-L216 WeakPolarHBondContact O-CB 3.45Å; K212-L216 PolarHBondContact O-N 3.25Å; L216-K218 VanDerWaalsContact C-N 3.28Å; L216-K218 PolarHBondContact O-N 2.67Å; L216-Y219 PolarHBondContact O-N 3.01Å; L216-M220 HydrophobicContact CB-CE 3.98Å; L216-M220 HydrophobicContact CD2-CE 3.69Å; L216-M220 HydrophobicContact CD2-SD 3.84Å; L216-M220 HydrophobicContact CG-CB 4.48Å; L216-M220 HydrophobicContact CG-CE 3.81Å; L216-M220 HydrophobicContact CG-SD 3.79Å; L216-M220 VanDerWaalsContact O-CA 3.3Å; L216-M220 WeakPolarHBondContact O-CA 3.36Å; L216-M220 WeakPolarHBondContact O-CB 3.46Å; L216-M220 PolarHBondContact O-N 3.03Å
217Q84.1Confident82.8Confident167 Ų167114.9 Ų114.978%0.7858%0.576SS**Hα-helixtrans-62.2-36-178.2-176.4179.6-11.100113.1S213 F214S213-Q217 VanDerWaalsContact O-CB 3.25Å; S213-Q217 WeakPolarHBondContact O-CB 3.23Å; S213-Q217 PolarHBondContact O-N 3.05Å; F214-Q217 PolarHBondContact O-N 3.44Å
218K88.3Confident82.8Confident125 Ų125116.6 Ų116.654%0.54358%0.584SS.*Hα-helixtrans-78.3-34.1-176.1-174.2173.9178.2-164.30113F214 I215 L216F214-K218 HydrophobicContact CE1-CD 3.84Å; F214-K218 HydrophobicContact CZ-CD 3.97Å; F214-K218 WeakPolarHBondContact O-CB 3.31Å; F214-K218 PolarHBondContact O-N 3Å; I215-K218 PolarHBondContact O-N 2.62Å; L216-K218 VanDerWaalsContact C-N 3.28Å; L216-K218 PolarHBondContact O-N 2.67Å
219Y86.3Confident82.9Confident156 Ų156114.7 Ų114.761%0.61258%0.576SS**Hα-helixtrans-119.6-13.9-170.2-59.9-75.8000114.1I215 L216 M221I215-Y219 HydrophobicContact CG2-CD2 3.99Å; I215-Y219 WeakPolarHBondContact O-CB 3.3Å; I215-Y219 VanDerWaalsContact O-CD2 3.31Å; I215-Y219 WeakPolarHBondContact O-CD2 3.5Å; I215-Y219 PolarHBondContact O-N 3.02Å; L216-Y219 PolarHBondContact O-N 3.01Å; Y219-M221 PolarHBondContact O-N 2.9Å
220M84.2Confident82.7Confident101 Ų101113.4 Ų113.450%0.49857%0.572SS.*  trans-86.3101.8178.5-160.1-179.546.700109.3L216 V222L216-M220 HydrophobicContact CB-CE 3.98Å; L216-M220 HydrophobicContact CD2-CE 3.69Å; L216-M220 HydrophobicContact CD2-SD 3.84Å; L216-M220 HydrophobicContact CG-CB 4.48Å; L216-M220 HydrophobicContact CG-CE 3.81Å; L216-M220 HydrophobicContact CG-SD 3.79Å; L216-M220 VanDerWaalsContact O-CA 3.3Å; L216-M220 WeakPolarHBondContact O-CA 3.36Å; L216-M220 WeakPolarHBondContact O-CB 3.46Å; L216-M220 PolarHBondContact O-N 3.03Å; M220-V222 VanDerWaalsContact C-N 3.34Å; M220-V222 HydrophobicContact CB-CG2 4.28Å; M220-V222 HydrophobicContact CE-CG2 3.36Å; M220-V222 HydrophobicContact CG-CG2 3.43Å; M220-V222 VanDerWaalsContact CG-CG2 3.43Å; M220-V222 PolarHBondContact O-N 2.64Å; M220-V222 VanDerWaalsContact O-N 3.14Å; M220-V222 HydrophobicContact SD-CG2 3.5Å; M220-V222 WeakPolarHBondContact SD-CG2 3.48Å
221M76Confident82.4Confident188 Ų188115.6 Ų115.693%0.92658%0.582SS**  trans-77.988.5163.2-70.4174.663.600108.1Y219 D223Y219-M221 PolarHBondContact O-N 2.9Å; M221-D223 PolarHBondContact O-N 2.81Å
222V74.6Confident81.9Confident64 Ų64122.5 Ų122.539%0.38860%0.603SS.*  trans-84.6107.9171.8-173.80000108.1M220 S224M220-V222 VanDerWaalsContact C-N 3.34Å; M220-V222 HydrophobicContact CB-CG2 4.28Å; M220-V222 HydrophobicContact CE-CG2 3.36Å; M220-V222 HydrophobicContact CG-CG2 3.43Å; M220-V222 VanDerWaalsContact CG-CG2 3.43Å; M220-V222 PolarHBondContact O-N 2.64Å; M220-V222 VanDerWaalsContact O-N 3.14Å; M220-V222 HydrophobicContact SD-CG2 3.5Å; M220-V222 WeakPolarHBondContact SD-CG2 3.48Å; V222-S224 PolarHBondContact O-N 3.47Å; V222-S224 PolarHBondContact O-OG 2.89Å
223D77.2Confident81.3Confident96 Ų96119 Ų11951%0.51360%0.598SS.*  trans-7282.6163.9-163.7-24.5000109M221 A225 E226 D227M221-D223 PolarHBondContact O-N 2.81Å; D223-A225 PolarHBondContact O-N 2.7Å; D223-A225 VanDerWaalsContact O-N 3.13Å; D223-A225 WeakPolarHBondContact OD1-CB 3.23Å; D223-A225 PolarHBondContact OD1-N 3.46Å; D223-A225 VanDerWaalsContact OD1-N 3.08Å; D223-E226 HydrophobicContact CB-CB 4.25Å; D223-E226 PolarHBondContact O-N 3.48Å; D223-E226 PolarHBondContact OD1-N 3.26Å; D223-D227 PolarHBondContact O-N 3.01Å
224S75.9Confident80.7Confident67 Ų67123.7 Ų123.747%0.46961%0.614SS.*Hα-helixtrans-64.5-15.2-179.3-54.70000112V222 Q228V222-S224 PolarHBondContact O-N 3.47Å; V222-S224 PolarHBondContact O-OG 2.89Å; S224-Q228 VanDerWaalsContact O-CG 3.29Å; S224-Q228 WeakPolarHBondContact O-CG 3.37Å
225A78.3Confident80.2Confident74 Ų74123.6 Ų123.661%0.61263%0.629SS**Hα-helixtrans-81.6-38.3177.500000111.6D223D223-A225 PolarHBondContact O-N 2.7Å; D223-A225 VanDerWaalsContact O-N 3.13Å; D223-A225 WeakPolarHBondContact OD1-CB 3.23Å; D223-A225 PolarHBondContact OD1-N 3.46Å; D223-A225 VanDerWaalsContact OD1-N 3.08Å
226E73.6Confident79.6Confident115 Ų115125.9 Ų125.954%0.53765%0.649SS.*Hα-helixtrans-70.7-39.2174.6-154.684.5-124.800111.1D223 Q228 K229D223-E226 HydrophobicContact CB-CB 4.25Å; D223-E226 PolarHBondContact O-N 3.48Å; D223-E226 PolarHBondContact OD1-N 3.26Å; E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-Q228 PolarHBondContact O-N 2.96Å; E226-K229 VanDerWaalsContact O-CB 3.22Å; E226-K229 WeakPolarHBondContact O-CB 3.35Å; E226-K229 PolarHBondContact O-N 2.93Å; E226-K229 IonicContact OE1-NZ 2.64Å
227D78.9Confident78.9Confident133 Ų133130.4 Ų130.471%0.71166%0.664SS**Hα-helixtrans-64.7-30.8179.6-98.19000113.5D223 K229D223-D227 PolarHBondContact O-N 3.01Å; D227-K229 PolarHBondContact O-N 3.36Å
228Q79.9Confident78.2Confident165 Ų165129.5 Ų129.577%0.77166%0.66SS**THydrogen-bonded Turntrans-74.5-15.1174.3-71.9178.324.700112.7S224 E226 V230S224-Q228 VanDerWaalsContact O-CG 3.29Å; S224-Q228 WeakPolarHBondContact O-CG 3.37Å; E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-Q228 PolarHBondContact O-N 2.96Å; Q228-V230 PolarHBondContact O-N 2.9Å; Q228-V230 VanDerWaalsContact O-N 3.13Å
229K82.3Confident77.4Confident147 Ų147127 Ų12764%0.63966%0.663SS**  trans-86.487.9-177.9-165.1178.4176.3-171.70109.4E226 D227 H231E226-K229 VanDerWaalsContact O-CB 3.22Å; E226-K229 WeakPolarHBondContact O-CB 3.35Å; E226-K229 PolarHBondContact O-N 2.93Å; E226-K229 IonicContact OE1-NZ 2.64Å; D227-K229 PolarHBondContact O-N 3.36Å; K229-H231 PolarHBondContact O-N 2.88Å
230V79.1Confident76.6Confident107 Ų107125.4 Ų125.465%0.64867%0.672SS**  trans-61.6106.6172.6-177.80000109.3Q228 R232Q228-V230 PolarHBondContact O-N 2.9Å; Q228-V230 VanDerWaalsContact O-N 3.13Å; V230-R232 HydrophobicContact CG1-CG 4.16Å; V230-R232 PolarHBondContact O-N 2.93Å
231H79.9Confident76Confident161 Ų161128.2 Ų128.275%0.74568%0.681SS**  trans-63.5101.7172.1-177.3-85.9000108.8K229 P233K229-H231 PolarHBondContact O-N 2.88Å; H231-P233 WeakPolarHBondContact O-CD 3.22Å
232R78.4Confident75.6Confident214 Ų214127.6 Ų127.681%0.80867%0.674SS**  trans-9494.6172.2-68.2-172.5-177.41502.9107.7V230 M234V230-R232 HydrophobicContact CG1-CG 4.16Å; V230-R232 PolarHBondContact O-N 2.93Å; R232-M234 PolarHBondContact O-N 2.89Å; R232-M234 VanDerWaalsContact O-N 3.11Å
233P78.6Confident75.4Confident97 Ų97130.5 Ų130.563%0.6369%0.686SS**PPolyproline II helixtrans-56.4125.2172.324.4-31.3000107.5H231 A235H231-P233 WeakPolarHBondContact O-CD 3.22Å; P233-A235 PolarHBondContact O-N 3.35Å
234M72.7Confident75.2Confident167 Ų167130.7 Ų130.782%0.82369%0.686SS**PPolyproline II helixtrans-57.4126.6176.1-95-175169.800108.3R232R232-M234 PolarHBondContact O-N 2.89Å; R232-M234 VanDerWaalsContact O-N 3.11Å
235A77.3Confident75.1Confident81 Ų81135 Ų13567%0.66969%0.692SS**PPolyproline II helixtrans-51.7134.6170.800000108.6P233 K237P233-A235 PolarHBondContact O-N 3.35Å; A235-K237 PolarHBondContact O-N 3.29Å
236P77.9Confident75.1Confident126 Ų126138.6 Ų138.682%0.81869%0.691SS**PPolyproline II helixtrans-48.6121.7177.2-27.334000109.2E238P236-E238 PolarHBondContact O-N 3.06Å
237K72.7Confident75.2Confident187 Ų187138 Ų13881%0.81369%0.69SS**  trans-58.6106.6-179.2-70.1179.9179.5174.90107.5A235 A239A235-K237 PolarHBondContact O-N 3.29Å; K237-A239 PolarHBondContact O-N 3.25Å
238E70.8Confident75.1Confident148 Ų148138 Ų13869%0.69269%0.69SS**  trans-64102.2174.6-153.8-179.7177.400106.2P236 K241P236-E238 PolarHBondContact O-N 3.06Å; E238-K241 WeakPolarHBondContact OE1-CE 3.42Å; E238-K241 IonicContact OE1-NZ 2.9Å; E238-K241 PolarHBondContact OE1-NZ 3.32Å
239A70.1Confident75Confident74 Ų74137.7 Ų137.761%0.61269%0.694SS**  trans-55.7134.3-179.500000107.9K237 K241K237-A239 PolarHBondContact O-N 3.25Å; A239-K241 PolarHBondContact O-N 2.88Å
240P71Confident74.6Confident121 Ų121136.2 Ų136.279%0.78669%0.689SS**  trans-55.7116.1-175.720.3-31000108.7K242P240-K242 PolarHBondContact O-N 3.03Å
241K70.1Confident74.3Confident160 Ų160135.1 Ų135.170%0.69668%0.683SS**  trans-57109.3-179.4-69.5173.5-176.4158.20107.1E238 A239 L243E238-K241 WeakPolarHBondContact OE1-CE 3.42Å; E238-K241 IonicContact OE1-NZ 2.9Å; E238-K241 PolarHBondContact OE1-NZ 3.32Å; A239-K241 PolarHBondContact O-N 2.88Å; K241-L243 PolarHBondContact O-N 2.95Å; K241-L243 VanDerWaalsContact O-N 3.09Å
242K69.4Low73.7Confident176 Ų176129.2 Ų129.277%0.76566%0.658SS**  trans-60.6116.5174.5-67.2178.9-178.4172.80106.4P240 I244P240-K242 PolarHBondContact O-N 3.03Å; K242-I244 PolarHBondContact O-N 3.07Å
243L69.8Low73Confident125 Ų125123.2 Ų123.265%0.65465%0.649SS**  trans-56.6115.7176.3-104.493.9000108.8K241 T254K241-L243 PolarHBondContact O-N 2.95Å; K241-L243 VanDerWaalsContact O-N 3.09Å; L243-T254 WeakPolarHBondContact O-CG2 3.33Å
244I72.6Confident72.2Confident100 Ų100122.2 Ų122.251%0.51364%0.641SS.*  trans-78.8122170-62.5177.3000106.7K242 Y246 V251K242-I244 PolarHBondContact O-N 3.07Å; I244-Y246 HydrophobicContact CB-CE2 4.43Å; I244-Y246 HydrophobicContact CG2-CD2 4.35Å; I244-Y246 HydrophobicContact CG2-CE1 4.38Å; I244-Y246 HydrophobicContact CG2-CE2 3.69Å; I244-V251 HydrophobicContact CG2-CB 4.2Å; I244-V251 HydrophobicContact CG2-CG1 3.64Å; I244-V251 HydrophobicContact CG2-CG2 3.82Å
245R74.1Confident71.6Confident157 Ų157122.2 Ų122.259%0.59264%0.636SS**EExtended strand (participates in β ladder)trans-102.2146.3173.5-60.5-175.284100.1-3.2109.2V252 T254R245-V252 PolarHBondContact N-O 3.48Å; R245-V252 PolarHBondContact O-N 3.11Å; R245-T254 HydrophobicContact CG-CG2 3.84Å
246Y77.6Confident70.7Confident149 Ų149121.6 Ų121.658%0.58464%0.638SS**EExtended strand (participates in β ladder)trans-115.6137.5177.4-65-91.7000110.3I244 Q250 V251I244-Y246 HydrophobicContact CB-CE2 4.43Å; I244-Y246 HydrophobicContact CG2-CD2 4.35Å; I244-Y246 HydrophobicContact CG2-CE1 4.38Å; I244-Y246 HydrophobicContact CG2-CE2 3.69Å; Y246-Q250 WeakPolarHBondContact CA-O 3.47Å; Y246-V251 HydrophobicContact CD1-CG2 4.12Å; Y246-V251 HydrophobicContact CE1-CG2 3.45Å; Y246-V251 VanDerWaalsContact CE1-CG2 3.45Å
247I76.8Confident69.6Low103 Ų103124.5 Ų124.553%0.52864%0.641SS.*EExtended strand (participates in β ladder)trans-132127.7164.9-59.1176.3000105.1N249 Q250 V252I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 3.28Å; I247-Q250 PolarHBondContact N-O 3.24Å; I247-Q250 VanDerWaalsContact N-O 3.15Å; I247-Q250 WeakPolarHBondContact O-CB 3.28Å; I247-Q250 PolarHBondContact O-N 2.85Å; I247-V252 HydrophobicContact CB-CG2 4.23Å; I247-V252 HydrophobicContact CD1-CG2 4.26Å; I247-V252 HydrophobicContact CG1-CG2 4.15Å
248D75.6Confident68.8Low132 Ų132126.4 Ų126.471%0.70664%0.643SS**THydrogen-bonded Turntrans48.646.3-177.4-54.8-35.1000113.6Q250D248-Q250 PolarHBondContact O-N 3.47Å; D248-Q250 VanDerWaalsContact O-N 3.07Å
249N78.1Confident68.1Low159 Ų159128.7 Ų128.785%0.8565%0.651SS**THydrogen-bonded Turntrans59.714-177.2-56-22.1000115.2I247I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 3.28Å
250Q73.5Confident67.4Low116 Ų116131.5 Ų131.554%0.54265%0.649SS.*EExtended strand (participates in β ladder)trans-106.7136.2177.1-166.8175.179.200111.6Y246 I247 D248 V252Y246-Q250 WeakPolarHBondContact CA-O 3.47Å; I247-Q250 PolarHBondContact N-O 3.24Å; I247-Q250 VanDerWaalsContact N-O 3.15Å; I247-Q250 WeakPolarHBondContact O-CB 3.28Å; I247-Q250 PolarHBondContact O-N 2.85Å; D248-Q250 PolarHBondContact O-N 3.47Å; D248-Q250 VanDerWaalsContact O-N 3.07Å; Q250-V252 WeakPolarHBondContact O-CG2 3.4Å
251V73.8Confident66.7Low84 Ų84133.6 Ų133.651%0.50965%0.654SS.*EExtended strand (participates in β ladder)trans-69.4127.1178.2169.20000111I244 Y246I244-V251 HydrophobicContact CG2-CB 4.2Å; I244-V251 HydrophobicContact CG2-CG1 3.64Å; I244-V251 HydrophobicContact CG2-CG2 3.82Å; Y246-V251 HydrophobicContact CD1-CG2 4.12Å; Y246-V251 HydrophobicContact CE1-CG2 3.45Å; Y246-V251 VanDerWaalsContact CE1-CG2 3.45Å
252V67.9Low66.3Low37 Ų37130.3 Ų130.322%0.22465%0.647CS.*EExtended strand (participates in β ladder)trans-124.6134.6177.4-156.10000110.6R245 I247 Q250R245-V252 PolarHBondContact N-O 3.48Å; R245-V252 PolarHBondContact O-N 3.11Å; I247-V252 HydrophobicContact CB-CG2 4.23Å; I247-V252 HydrophobicContact CD1-CG2 4.26Å; I247-V252 HydrophobicContact CG1-CG2 4.15Å; Q250-V252 WeakPolarHBondContact O-CG2 3.4Å
253S62.9Low65.9Low89 Ų89130.5 Ų130.562%0.62264%0.643SS**  trans-77141.8179.3179.20000111.9K255S253-K255 VanDerWaalsContact C-N 3.29Å; S253-K255 PolarHBondContact O-N 3.45Å; S253-K255 PolarHBondContact OG-N 2.98Å
254T60.8Low65.4Low75 Ų75129.3 Ų129.346%0.4664%0.637SS.*SBendtrans-79.8-5.5179.250.30000114.4L243 R245 G256L243-T254 WeakPolarHBondContact O-CG2 3.33Å; R245-T254 HydrophobicContact CG-CG2 3.84Å; T254-G256 PolarHBondContact O-N 3.3Å
255K61.1Low64.9Low167 Ų167128.9 Ų128.973%0.72664%0.641SS**SBendtrans-78.653.7-178.8-75.5-83.8-176.11750112.1S253 E257S253-K255 VanDerWaalsContact C-N 3.29Å; S253-K255 PolarHBondContact O-N 3.45Å; S253-K255 PolarHBondContact OG-N 2.98Å; K255-E257 PolarHBondContact O-N 3.16Å
256G57.3Low64.3Low68 Ų68127.8 Ų127.870%0.70164%0.642SS**  trans46.824157.200000118.5T254 R258T254-G256 PolarHBondContact O-N 3.3Å; G256-R258 PolarHBondContact O-N 3.09Å; G256-R258 VanDerWaalsContact O-N 3.15Å
257E55.3Low63.5Low188 Ų188122.9 Ų122.988%0.87963%0.633SS**  trans-77.2104.1170.4-83.9-178.516200107.2K255K255-E257 PolarHBondContact O-N 3.16Å
258R55.7Low62.7Low226 Ų226122.4 Ų122.485%0.85363%0.628SS**  trans-59.4127.8-175.4-74.9170.6149.3-178.2-7.2110.7G256G256-R258 PolarHBondContact O-N 3.09Å; G256-R258 VanDerWaalsContact O-N 3.15Å
259F56.5Low61.9Low197 Ų197122.4 Ų122.486%0.86462%0.624SS**  trans60.2108.1166-62.1-85.2000117
260K56.3Low61.2Low133 Ų133120.6 Ų120.658%0.57861%0.612SS**  trans-90.2118.3149.2-74.5-170.9174.2-175.50107.1V262K260-V262 PolarHBondContact O-N 3.21Å
261D54.7Low60.8Low164 Ų164123 Ų12388%0.87762%0.621SS**  trans-66.5102.9171.4-131.3-0.8000107.3R263D261-R263 VanDerWaalsContact C-N 3.26Å; D261-R263 PolarHBondContact O-N 2.93Å
262V62.4Low60.2Low92 Ų92123.1 Ų123.156%0.55863%0.63SS**  trans-7487.7177.1-177.60000107K260 N264K260-V262 PolarHBondContact O-N 3.21Å; V262-N264 PolarHBondContact O-N 3.07Å; V262-N264 VanDerWaalsContact O-N 3.13Å
263R60.5Low60Low179 Ų179126.3 Ų126.368%0.67565%0.65SS**  trans-72.4101.7172.7-175170.6179141.9-11108D261 P265 E268D261-R263 VanDerWaalsContact C-N 3.26Å; D261-R263 PolarHBondContact O-N 2.93Å; R263-P265 VanDerWaalsContact O-CD 3.25Å; R263-P265 WeakPolarHBondContact O-CD 3.28Å; R263-E268 IonicContact CZ-OE1 3.18Å; R263-E268 IonicContact CZ-OE2 3.68Å; R263-E268 IonicContact NE-OE1 2.69Å; R263-E268 IonicContact NE-OE2 3.96Å; R263-E268 PolarHBondContact NE-OE2 3.46Å; R263-E268 IonicContact NH2-OE1 3.8Å; R263-E268 PolarHBondContact NH2-OE1 3.31Å; R263-E268 IonicContact NH2-OE2 2.74Å; R263-E268 PolarHBondContact NH2-OE2 2.89Å
264N60.3Low60Low101 Ų101130.1 Ų130.154%0.5465%0.652SS.*  trans-60.8113172.4-65.9-33.4000108.9V262 E266 A267V262-N264 PolarHBondContact O-N 3.07Å; V262-N264 VanDerWaalsContact O-N 3.13Å; N264-E266 PolarHBondContact O-N 3.33Å; N264-A267 HydrophobicContact CB-CB 4.19Å; N264-A267 PolarHBondContact O-N 3.38Å; N264-A267 VanDerWaalsContact O-N 3.13Å
265P62.2Low60.4Low91 Ų91132.8 Ų132.859%0.59166%0.662SS**Hα-helixtrans-62.8-29.2-179.925.8-33.3000111.5R263 A267 E268 E269R263-P265 VanDerWaalsContact O-CD 3.25Å; R263-P265 WeakPolarHBondContact O-CD 3.28Å; P265-A267 VanDerWaalsContact C-N 3.29Å; P265-A267 PolarHBondContact O-N 2.94Å; P265-E268 PolarHBondContact O-N 2.91Å; P265-E268 VanDerWaalsContact O-N 3.11Å; P265-E269 PolarHBondContact O-N 3.48Å
266E60.2Low60.6Low133 Ų133130.6 Ų130.662%0.62166%0.658SS**Hα-helixtrans-59.5-37.8175.8-144.5-174.2178.600112.3N264 E268 M270N264-E266 PolarHBondContact O-N 3.33Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 2.84Å; E266-M270 HydrophobicContact CG-CE 3.87Å; E266-M270 VanDerWaalsContact O-CG 3.26Å; E266-M270 WeakPolarHBondContact O-CG 3.26Å; E266-M270 PolarHBondContact O-N 3.42Å; E266-M270 VanDerWaalsContact O-N 3.09Å
267A61Low61.2Low46 Ų46134.6 Ų134.638%0.3866%0.663SS.*Hα-helixtrans-74.7-21.3179.600000112.9N264 P265 K271N264-A267 HydrophobicContact CB-CB 4.19Å; N264-A267 PolarHBondContact O-N 3.38Å; N264-A267 VanDerWaalsContact O-N 3.13Å; P265-A267 VanDerWaalsContact C-N 3.29Å; P265-A267 PolarHBondContact O-N 2.94Å; A267-K271 WeakPolarHBondContact O-CG 3.4Å
268E59.7Low62.1Low93 Ų93134.8 Ų134.844%0.43566%0.661SS.*Hα-helixtrans-82.5-39.8175-176.2160.6-161.700111.5R263 P265 E266 M270 K271 A272R263-E268 IonicContact CZ-OE1 3.18Å; R263-E268 IonicContact CZ-OE2 3.68Å; R263-E268 IonicContact NE-OE1 2.69Å; R263-E268 IonicContact NE-OE2 3.96Å; R263-E268 PolarHBondContact NE-OE2 3.46Å; R263-E268 IonicContact NH2-OE1 3.8Å; R263-E268 PolarHBondContact NH2-OE1 3.31Å; R263-E268 IonicContact NH2-OE2 2.74Å; R263-E268 PolarHBondContact NH2-OE2 2.89Å; P265-E268 PolarHBondContact O-N 2.91Å; P265-E268 VanDerWaalsContact O-N 3.11Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 2.84Å; E268-M270 VanDerWaalsContact C-N 3.33Å; E268-M270 PolarHBondContact O-N 3.5Å; E268-K271 PolarHBondContact O-N 3.01Å; E268-A272 PolarHBondContact O-N 3.29Å
269E60.5Low62.9Low133 Ų133129.9 Ų129.962%0.62166%0.658SS**Hα-helixtrans-61.8-39.7172.4-69.9179.7-176.700111.8P265 K271 A272 T273P265-E269 PolarHBondContact O-N 3.48Å; E269-K271 VanDerWaalsContact C-N 3.28Å; E269-K271 PolarHBondContact O-N 3.43Å; E269-A272 PolarHBondContact O-N 2.95Å; E269-T273 PolarHBondContact O-N 3.42Å; E269-T273 PolarHBondContact O-OG1 3.35Å
270M62.8Low63.6Low120 Ų120124.9 Ų124.959%0.59165%0.653SS**Hα-helixtrans-62.5-33175.1-71.5-178-155.900113.1E266 E268E266-M270 HydrophobicContact CG-CE 3.87Å; E266-M270 VanDerWaalsContact O-CG 3.26Å; E266-M270 WeakPolarHBondContact O-CG 3.26Å; E266-M270 PolarHBondContact O-N 3.42Å; E266-M270 VanDerWaalsContact O-N 3.09Å; E268-M270 VanDerWaalsContact C-N 3.33Å; E268-M270 PolarHBondContact O-N 3.5Å
271K64.8Low64.2Low168 Ų168129.4 Ų129.473%0.7367%0.667SS**Hα-helixtrans-75.5-37.6175.7-71.3174.3-175177.20112.1A267 E268 E269 T273 Y274A267-K271 WeakPolarHBondContact O-CG 3.4Å; E268-K271 PolarHBondContact O-N 3.01Å; E269-K271 VanDerWaalsContact C-N 3.28Å; E269-K271 PolarHBondContact O-N 3.43Å; K271-T273 VanDerWaalsContact C-N 3.28Å; K271-T273 PolarHBondContact O-N 3.07Å; K271-Y274 PolarHBondContact O-N 3.35Å
272A62Low65Low86 Ų86131.2 Ų131.271%0.71167%0.667SS**Hα-helixtrans-66.5-31.2176.800000112.4E268 E269 Y274E268-A272 PolarHBondContact O-N 3.29Å; E269-A272 PolarHBondContact O-N 2.95Å; A272-Y274 VanDerWaalsContact C-N 3.28Å; A272-Y274 PolarHBondContact O-N 2.99Å
273T63.2Low65.3Low104 Ų104135.8 Ų135.864%0.63868%0.675SS**THydrogen-bonded Turntrans-83.6-1.6-178.1-42.10000113.1E269 K271 I275E269-T273 PolarHBondContact O-N 3.42Å; E269-T273 PolarHBondContact O-OG1 3.35Å; K271-T273 VanDerWaalsContact C-N 3.28Å; K271-T273 PolarHBondContact O-N 3.07Å; T273-I275 PolarHBondContact O-N 3.23Å
274Y62.2Low65.4Low169 Ų169138.4 Ų138.466%0.66369%0.685SS**  trans-75.386.9179-167.1-104.1000111.4K271 A272 N276K271-Y274 PolarHBondContact O-N 3.35Å; A272-Y274 VanDerWaalsContact C-N 3.28Å; A272-Y274 PolarHBondContact O-N 2.99Å; Y274-N276 WeakPolarHBondContact CE1-OD1 3.2Å; Y274-N276 PolarHBondContact O-N 2.84Å
275I70.4Confident65.3Low130 Ų130141.3 Ų141.367%0.66769%0.693SS**  trans-83.4108.2175.4-58171.8000108.7T273 L277T273-I275 PolarHBondContact O-N 3.23Å; I275-L277 VanDerWaalsContact C-N 3.33Å; I275-L277 HydrophobicContact CG2-CG 4.21Å; I275-L277 PolarHBondContact O-N 3.34Å
276N65.8Low64.7Low121 Ų121149 Ų14965%0.64772%0.721SS**  trans-71.486.4170.1-75.6-61.5000110.3Y274 K278Y274-N276 WeakPolarHBondContact CE1-OD1 3.2Å; Y274-N276 PolarHBondContact O-N 2.84Å; N276-K278 PolarHBondContact O-N 3Å
277L68.7Low64.9Low153 Ų153149.8 Ų149.880%0.80173%0.726SS**  trans-66.4112.4170.9-80142.9000109.2I275I275-L277 VanDerWaalsContact C-N 3.33Å; I275-L277 HydrophobicContact CG2-CG 4.21Å; I275-L277 PolarHBondContact O-N 3.34Å
278K73.8Confident65.1Low192 Ų192155.2 Ų155.284%0.83574%0.744SS**PPolyproline II helixtrans-59.4139.7171.3-70.7-174.8178.9176.50109N276 A280N276-K278 PolarHBondContact O-N 3Å; K278-A280 PolarHBondContact O-N 2.88Å
279P72.8Confident65.4Low122 Ų122158.7 Ų158.779%0.79276%0.761SS**PPolyproline II helixtrans-55.3136.5174.8-22.331.3000110.7R281P279-R281 PolarHBondContact O-N 3.01Å
280A70.6Confident65.7Low93 Ų93160.2 Ų160.277%0.76977%0.769SS**PPolyproline II helixtrans-56.4126179.900000110.5K278 K282K278-A280 PolarHBondContact O-N 2.88Å; A280-K282 PolarHBondContact O-N 2.74Å
281R70.6Confident65.9Low228 Ų228162.7 Ų162.786%0.8678%0.78SS**  trans-62109.1171.5-88178.3159.6170.5-6.5107.9P279 Y283P279-R281 PolarHBondContact O-N 3.01Å; R281-Y283 PolarHBondContact O-N 3.27Å
282K71.6Confident65.9Low202 Ų202162.3 Ų162.388%0.87878%0.784SS**  trans-64.6103.4168.2-65.6-168178.9-173.70107.6A280 R284A280-K282 PolarHBondContact O-N 2.74Å; K282-R284 PolarHBondContact O-N 2.87Å; K282-R284 VanDerWaalsContact O-N 3.13Å
283Y67.1Low66.2Low188 Ų188167.8 Ų167.874%0.73779%0.789SS**  trans-66107.9163.9-96.5-97.4000107.2R281 F285R281-Y283 PolarHBondContact O-N 3.27Å; Y283-F285 HydrophobicContact CD1-CE2 4.41Å; Y283-F285 PolarHBondContact O-N 2.73Å
284R63.9Low66.5Low233 Ų233172.7 Ų172.788%0.87980%0.8SS**  trans-75.2105.4162.3-82-172166.1177-3.9106.6K282K282-R284 PolarHBondContact O-N 2.87Å; K282-R284 VanDerWaalsContact O-N 3.13Å
285F58.4Low66.8Low162 Ų162173 Ų17371%0.71181%0.812SS**  trans-79.1127.2157.8-80.2-86.8000107.4Y283Y283-F285 HydrophobicContact CD1-CE2 4.41Å; Y283-F285 PolarHBondContact O-N 2.73Å
286H48Very low66.5Low252 Ų252176.9 Ų176.9100%1.16783%0.825SS**  trans87.50176.1-46.8-59.4000116.3

Retrieved 286 of 286 residues in 51.1 ms (Link to these results)